A0A077ZMK6_TRITR Loading...

RNA-directed DNA polymerase

AlphaFold DB , UniProt , Accession A0A077ZMK6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,403 aa.

						>A0A077ZMK6_TRITR|A0A077ZMK6
MMRETRNRKAEEAQAEMDRKSAPGGQPESTEAGRTVDQGWPRSGTTEGATRLWCRPPSCFSHTTDVGVRLSRLNDYLMLNEVSEDKWAAVLRSFVDDDVYVVLAEEGPTATYSELTSCLKRRYGPGDSELMVWTRFAQRRQRPTESLEEFADDLRKLGRRAGRSDLDLHGQFLGGILDQEIQANVLKADTKSFAEAVRTAKHFHAVRRNAEEMQSCQASDSSGRYVNKERTSNGCSNARQGALEAAIRRLENRLAELQLPAGNNSVSIGTDRLPPRRAAMTCFVCGRQGHLARNCAERSRTEADVQLPGKGNASALAFQLADKKLRKKVPTLRVSVGEREVEAVIDTGATSSFVHKSLIADGQVMMEPWNAPCFQGVDGKNVLPIGRATLTLVHQGQPFEVEVAVLPSCPCMLALGTEALMKLGLTMRFSPLGWHIEKSSDSKGSAPGDNFQLISGTDQAPPSGECPDLGDMPGKLVAGGADDKVLVKEDMPQDAHLGAGLQRVIGSPAQLCYGKLLSSSERDGLLRLVNSFEHLFGPLPVGEKSGHLTMHRISTGDANPIQCRPYRVSPLEREAIRQQVEEMLRDGIIEPSNSSWAFPVVTVRKKDGTWRFCVDYRKLNAVTVRDVYPLPRIDDVLDRLGGSKYFSKLDLRSGYWQLEIEESDRPKTAFVTPDGLFQFRRMPFGLANAPASFSRFISGLLSGAKERYCIAYLDDILIHTPDYEQHRAKLKEVFRVLSENGLRLNPTKCVLGTHETTYLGYLVDAVGVHPEPEKMEAITALPRPRSVRQVRRFLGMTGYYRRFVERYADIAAPLCELLRKNQKWRWTEREETGFEELKSRLKNPPIGHHFQENWPIEVHCDASRSGLGAMLSQKKEGQEHVVTYISRKLSPAEEKHSNELECLAVVWALRVLRPYVLGRTFRVVTDTSAVKWLFDKKQANDKFGRWTMALMEFQGSVEFVHRKGQEHCVPDALSRAPVGEPEREADMVGERMACMAVDSITEEEMAQAQKADPIISDLMKSVKESGGGITKGDSREAEGFRLNEGVLYKRNDRNGRSWLLAVPERLQKVENVKPADLLQSIVPPTAPGETWGIDHLGPFPLSRRGNRHVIVCVDYLTKWVELKAVPDTTAEKVRDFLTECIVARHGVPKKIISDRGTAFTAESMRLALSSMSIAHGMVSACHPQANGLVERMNRTISDILSAYVNAKHNDWGEFLPFVMLALNTAEQSSTRFTPFELVYGRVAMLPEESCLPWPRDVSLPHEVFKEQLQQRRKEARTNCLRSQAAQKKYYDGRRRVGTRFQVGQLAWLRRNVRRVGRSAKLQPRYVGPVRITSVLGENTYRIERLNGRLKGRISSTAHISQLKRYVESVSGHTRRRLRRSTSKGGRRIVAIPASSGQPKRFSG
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.6	Very low	45.5	Very low	150 Å²	150	112.4 Å²	112.4	74%	0.739	53%	0.532	S	S	*	.				0	-74.8	0	-149	172.7	-166.4	0	0	112.6	R3 E4 T5 M948	M1-R3 PolarHBondContact O-N 3.09Å; M1-R3 VanDerWaalsContact O-N 3.13Å; M1-E4 WeakPolarHBondContact CA-OE2 3.49Å; M1-E4 PolarHBondContact N-OE2 2.83Å; M1-E4 PolarHBondContact O-N 3.45Å; M1-E4 VanDerWaalsContact O-N 3.08Å; M1-T5 PolarHBondContact O-N 3.1Å; M1-T5 PolarHBondContact O-OG1 3.25Å; M1-T5 VanDerWaalsContact O-OG1 3.09Å; M1-M948 HydrophobicContact CE-CE 4.24Å
2	M	32	Very low	47.3	Very low	112 Å²	112	110.7 Å²	110.7	55%	0.552	52%	0.523	S	S	*	.	H	α-helix	trans	-56.5	-35	-175.4	-67.1	-145.6	-62.8	0	0	114	T5 R6	M2-T5 PolarHBondContact O-N 3.36Å; M2-R6 WeakPolarHBondContact O-CB 3.49Å; M2-R6 PolarHBondContact O-N 2.9Å
3	R	34.6	Very low	48.4	Very low	185 Å²	185	106.5 Å²	106.5	70%	0.698	52%	0.519	S	S	*	.	H	α-helix	trans	-63.5	-47.5	175.7	-154.6	176.6	-163.6	164.5	9.7	112.3	M1 R6 N7	M1-R3 PolarHBondContact O-N 3.09Å; M1-R3 VanDerWaalsContact O-N 3.13Å; R3-R6 PolarHBondContact O-N 2.8Å; R3-N7 PolarHBondContact O-N 2.85Å; R3-N7 PolarHBondContact O-OD1 2.57Å; R3-N7 VanDerWaalsContact O-OD1 3.08Å
4	E	39.9	Very low	49.3	Very low	127 Å²	127	106 Å²	106	59%	0.593	52%	0.515	S	S	*	.	H	α-helix	trans	-64.9	-39.8	174.4	-62.3	121.1	123.3	0	0	111.9	M1 R6 N7 R8	M1-E4 WeakPolarHBondContact CA-OE2 3.49Å; M1-E4 PolarHBondContact N-OE2 2.83Å; M1-E4 PolarHBondContact O-N 3.45Å; M1-E4 VanDerWaalsContact O-N 3.08Å; E4-R6 VanDerWaalsContact C-N 3.27Å; E4-R6 PolarHBondContact O-N 3.29Å; E4-N7 PolarHBondContact O-N 3.04Å; E4-R8 WeakPolarHBondContact O-CB 2.83Å; E4-R8 PolarHBondContact O-N 3.28Å
5	T	44	Very low	50.2	Low	76 Å²	76	101.4 Å²	101.4	47%	0.466	50%	0.501	S	S	.	.	H	α-helix	trans	-64.1	-32.2	176.7	-45.6	0	0	0	0	112.2	M1 M2 K9	M1-T5 PolarHBondContact O-N 3.1Å; M1-T5 PolarHBondContact O-OG1 3.25Å; M1-T5 VanDerWaalsContact O-OG1 3.09Å; M2-T5 PolarHBondContact O-N 3.36Å; T5-K9 WeakPolarHBondContact O-CB 3.42Å; T5-K9 WeakPolarHBondContact O-CG 3.13Å; T5-K9 PolarHBondContact O-N 3.08Å
6	R	43.9	Very low	51	Low	78 Å²	78	99.8 Å²	99.8	29%	0.294	49%	0.492	S	S	.	.	H	α-helix	trans	-73.2	-49.9	173.3	-85.7	-177.4	160.7	-168.2	-18.7	112	M2 R3 E4 R8 K9 A10 L1245 E1248	M2-R6 WeakPolarHBondContact O-CB 3.49Å; M2-R6 PolarHBondContact O-N 2.9Å; R3-R6 PolarHBondContact O-N 2.8Å; E4-R6 VanDerWaalsContact C-N 3.27Å; E4-R6 PolarHBondContact O-N 3.29Å; R6-R8 VanDerWaalsContact C-N 3.31Å; R6-R8 PolarHBondContact O-N 3.34Å; R6-K9 PolarHBondContact O-N 2.65Å; R6-K9 VanDerWaalsContact O-N 3.11Å; R6-A10 PolarHBondContact O-N 3.15Å; R6-L1245 VanDerWaalsContact NH1-CD1 3.33Å; R6-E1248 IonicContact CZ-OE1 3.91Å; R6-E1248 IonicContact CZ-OE2 3.53Å; R6-E1248 IonicContact NE-OE1 3.81Å; R6-E1248 IonicContact NH1-OE1 3.25Å; R6-E1248 PolarHBondContact NH1-OE1 2.73Å; R6-E1248 IonicContact NH1-OE2 2.88Å; R6-E1248 PolarHBondContact NH1-OE2 3.26Å; R6-E1248 IonicContact NH2-OE1 2.72Å; R6-E1248 PolarHBondContact NH2-OE1 2.73Å; R6-E1248 IonicContact NH2-OE2 3.83Å; R6-E1248 PolarHBondContact NH2-OE2 3.14Å
7	N	51.1	Low	51.6	Low	89 Å²	89	100.8 Å²	100.8	48%	0.476	50%	0.497	S	S	.	.	H	α-helix	trans	-53.5	-49.8	175.6	-73.4	27.9	0	0	0	110.9	R3 E4 K9 A10 E11	R3-N7 PolarHBondContact O-N 2.85Å; R3-N7 PolarHBondContact O-OD1 2.57Å; R3-N7 VanDerWaalsContact O-OD1 3.08Å; E4-N7 PolarHBondContact O-N 3.04Å; N7-K9 VanDerWaalsContact C-N 3.32Å; N7-K9 PolarHBondContact O-N 3.22Å; N7-A10 WeakPolarHBondContact O-CB 3.42Å; N7-A10 PolarHBondContact O-N 3.35Å; N7-E11 VanDerWaalsContact O-CG 3.31Å; N7-E11 WeakPolarHBondContact O-CG 3.44Å; N7-E11 PolarHBondContact O-N 2.97Å
8	R	54.6	Low	52.1	Low	135 Å²	135	100.4 Å²	100.4	51%	0.509	50%	0.497	S	S	.	.	H	α-helix	trans	-64.9	-32.2	179.7	-144.2	-168.5	85.2	177.4	9.6	113.6	E4 R6 E12	E4-R8 WeakPolarHBondContact O-CB 2.83Å; E4-R8 PolarHBondContact O-N 3.28Å; R6-R8 VanDerWaalsContact C-N 3.31Å; R6-R8 PolarHBondContact O-N 3.34Å; R8-E12 IonicContact CZ-OE1 3.6Å; R8-E12 IonicContact NE-OE1 3.02Å; R8-E12 PolarHBondContact NE-OE1 2.71Å; R8-E12 IonicContact NH2-OE1 3.66Å; R8-E12 PolarHBondContact NH2-OE1 2.9Å; R8-E12 VanDerWaalsContact O-CB 3.24Å; R8-E12 WeakPolarHBondContact O-CB 3.34Å; R8-E12 WeakPolarHBondContact O-CG 3.43Å; R8-E12 PolarHBondContact O-N 3.04Å
9	K	53.7	Low	52.3	Low	103 Å²	103	104.5 Å²	104.5	45%	0.448	51%	0.506	S	S	.	.	H	α-helix	trans	-72.4	-31.2	172.3	-81.5	-169.7	177.8	-171.6	0	112.6	T5 R6 N7 A13 E1226	T5-K9 WeakPolarHBondContact O-CB 3.42Å; T5-K9 WeakPolarHBondContact O-CG 3.13Å; T5-K9 PolarHBondContact O-N 3.08Å; R6-K9 PolarHBondContact O-N 2.65Å; R6-K9 VanDerWaalsContact O-N 3.11Å; N7-K9 VanDerWaalsContact C-N 3.32Å; N7-K9 PolarHBondContact O-N 3.22Å; K9-A13 WeakPolarHBondContact O-CB 3.26Å; K9-A13 PolarHBondContact O-N 2.99Å; K9-E1226 IonicContact NZ-OE2 2.78Å; K9-E1226 PolarHBondContact NZ-OE2 2.63Å
10	A	56	Low	52.3	Low	63 Å²	63	106.6 Å²	106.6	52%	0.521	51%	0.513	S	S	.	.	H	α-helix	trans	-71.3	-43.3	173.1	0	0	0	0	0	111.3	R6 N7 A13 Q14	R6-A10 PolarHBondContact O-N 3.15Å; N7-A10 WeakPolarHBondContact O-CB 3.42Å; N7-A10 PolarHBondContact O-N 3.35Å; A10-A13 PolarHBondContact O-N 3.36Å; A10-Q14 WeakPolarHBondContact O-CB 3.49Å; A10-Q14 PolarHBondContact O-N 3.06Å
11	E	59.5	Low	52	Low	118 Å²	118	106.1 Å²	106.1	55%	0.551	52%	0.521	S	S	*	.	H	α-helix	trans	-60.8	-45.7	172.8	-68.7	155.2	-164.6	0	0	111.5	N7 A13 A15	N7-E11 VanDerWaalsContact O-CG 3.31Å; N7-E11 WeakPolarHBondContact O-CG 3.44Å; N7-E11 PolarHBondContact O-N 2.97Å; E11-A13 PolarHBondContact O-N 3.22Å; E11-A15 WeakPolarHBondContact O-CB 3.23Å; E11-A15 PolarHBondContact O-N 2.84Å
12	E	66.4	Low	52.4	Low	92 Å²	92	102.5 Å²	102.5	43%	0.43	52%	0.515	S	S	.	.	H	α-helix	trans	-62.5	-38.4	173.8	-78.1	168.5	-167.4	0	0	112.5	R8 E16	R8-E12 IonicContact CZ-OE1 3.6Å; R8-E12 IonicContact NE-OE1 3.02Å; R8-E12 PolarHBondContact NE-OE1 2.71Å; R8-E12 IonicContact NH2-OE1 3.66Å; R8-E12 PolarHBondContact NH2-OE1 2.9Å; R8-E12 VanDerWaalsContact O-CB 3.24Å; R8-E12 WeakPolarHBondContact O-CB 3.34Å; R8-E12 WeakPolarHBondContact O-CG 3.43Å; R8-E12 PolarHBondContact O-N 3.04Å; E12-E16 VanDerWaalsContact O-CB 3.25Å; E12-E16 WeakPolarHBondContact O-CB 3.34Å; E12-E16 PolarHBondContact O-N 3.04Å
13	A	62.3	Low	52.8	Low	57 Å²	57	103.5 Å²	103.5	47%	0.471	53%	0.529	S	S	.	.	H	α-helix	trans	-72.5	-41.5	178.8	0	0	0	0	0	112.6	K9 A10 E11 E16 M17	K9-A13 WeakPolarHBondContact O-CB 3.26Å; K9-A13 PolarHBondContact O-N 2.99Å; A10-A13 PolarHBondContact O-N 3.36Å; E11-A13 PolarHBondContact O-N 3.22Å; A13-E16 PolarHBondContact O-N 3.17Å; A13-M17 PolarHBondContact O-N 3.44Å
14	Q	60.9	Low	52.7	Low	99 Å²	99	98.8 Å²	98.8	46%	0.463	54%	0.538	S	S	.	.	H	α-helix	trans	-63	-50.5	176.1	-172.9	63.4	54.2	0	0	110.4	A10 E16 M17 D18	A10-Q14 WeakPolarHBondContact O-CB 3.49Å; A10-Q14 PolarHBondContact O-N 3.06Å; Q14-E16 PolarHBondContact O-N 2.83Å; Q14-E16 VanDerWaalsContact O-N 3.12Å; Q14-M17 WeakPolarHBondContact O-CA 3.43Å; Q14-M17 WeakPolarHBondContact O-CB 3.4Å; Q14-M17 PolarHBondContact O-N 2.95Å; Q14-D18 PolarHBondContact NE2-OD1 2.87Å; Q14-D18 PolarHBondContact O-N 2.67Å
15	A	62.8	Low	52.4	Low	37 Å²	37	96.5 Å²	96.5	31%	0.306	55%	0.549	S	S	.	.	H	α-helix	trans	-62	-23.1	177.7	0	0	0	0	0	113.6	E11 R19	E11-A15 WeakPolarHBondContact O-CB 3.23Å; E11-A15 PolarHBondContact O-N 2.84Å; A15-R19 WeakPolarHBondContact O-CD 3.41Å; A15-R19 WeakPolarHBondContact O-CG 3.43Å; A15-R19 PolarHBondContact O-N 2.65Å
16	E	63.1	Low	52	Low	76 Å²	76	102.4 Å²	102.4	36%	0.355	57%	0.571	S	S	.	*	H	α-helix	trans	-85.9	-27.4	174.7	-172.5	69.5	-179.4	0	0	112.8	E12 A13 Q14 R19 K20	E12-E16 VanDerWaalsContact O-CB 3.25Å; E12-E16 WeakPolarHBondContact O-CB 3.34Å; E12-E16 PolarHBondContact O-N 3.04Å; A13-E16 PolarHBondContact O-N 3.17Å; Q14-E16 PolarHBondContact O-N 2.83Å; Q14-E16 VanDerWaalsContact O-N 3.12Å; E16-R19 IonicContact OE2-NH1 2.76Å; E16-R19 PolarHBondContact OE2-NH1 3.45Å; E16-R19 VanDerWaalsContact OE2-NH1 3.08Å; E16-K20 VanDerWaalsContact CG-NZ 3.34Å; E16-K20 WeakPolarHBondContact O-CD 3.4Å; E16-K20 WeakPolarHBondContact O-CG 3.27Å; E16-K20 WeakPolarHBondContact OE1-CE 3.43Å; E16-K20 IonicContact OE1-NZ 3.7Å; E16-K20 PolarHBondContact OE1-NZ 3.38Å
17	M	60.3	Low	51.5	Low	117 Å²	117	104.3 Å²	104.3	58%	0.576	59%	0.593	S	S	*	*	H	α-helix	trans	-68.4	-50.9	166.4	-98.6	176.3	53.3	0	0	110.9	A13 Q14 R19 K20 S21	A13-M17 PolarHBondContact O-N 3.44Å; Q14-M17 WeakPolarHBondContact O-CA 3.43Å; Q14-M17 WeakPolarHBondContact O-CB 3.4Å; Q14-M17 PolarHBondContact O-N 2.95Å; M17-R19 VanDerWaalsContact C-N 3.26Å; M17-R19 PolarHBondContact O-N 3.4Å; M17-K20 WeakPolarHBondContact O-CA 3.23Å; M17-K20 PolarHBondContact O-N 3.11Å; M17-S21 PolarHBondContact O-N 3Å; M17-S21 PolarHBondContact O-OG 2.8Å
18	D	61.8	Low	50.8	Low	94 Å²	94	109 Å²	109	50%	0.503	61%	0.613	S	S	.	*	H	α-helix	trans	-57.9	-39.9	-177.1	-57.9	-24.1	0	0	0	111.4	Q14 K20 S21	Q14-D18 PolarHBondContact NE2-OD1 2.87Å; Q14-D18 PolarHBondContact O-N 2.67Å; D18-K20 VanDerWaalsContact C-N 3.31Å; D18-K20 PolarHBondContact O-N 3.32Å; D18-S21 PolarHBondContact O-N 2.79Å
19	R	55	Low	49.8	Very low	177 Å²	177	107 Å²	107	67%	0.668	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.2	-28.2	173.2	-77	174.3	-165.1	144.6	5.9	114.7	A15 E16 M17	A15-R19 WeakPolarHBondContact O-CD 3.41Å; A15-R19 WeakPolarHBondContact O-CG 3.43Å; A15-R19 PolarHBondContact O-N 2.65Å; E16-R19 IonicContact OE2-NH1 2.76Å; E16-R19 PolarHBondContact OE2-NH1 3.45Å; E16-R19 VanDerWaalsContact OE2-NH1 3.08Å; M17-R19 VanDerWaalsContact C-N 3.26Å; M17-R19 PolarHBondContact O-N 3.4Å
20	K	52.9	Low	48.9	Very low	147 Å²	147	107.9 Å²	107.9	64%	0.639	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.6	-3.4	-177.1	-72.9	172.1	-172.5	161.3	0	113	E16 M17 D18	E16-K20 VanDerWaalsContact CG-NZ 3.34Å; E16-K20 WeakPolarHBondContact O-CD 3.4Å; E16-K20 WeakPolarHBondContact O-CG 3.27Å; E16-K20 WeakPolarHBondContact OE1-CE 3.43Å; E16-K20 IonicContact OE1-NZ 3.7Å; E16-K20 PolarHBondContact OE1-NZ 3.38Å; M17-K20 WeakPolarHBondContact O-CA 3.23Å; M17-K20 PolarHBondContact O-N 3.11Å; D18-K20 VanDerWaalsContact C-N 3.31Å; D18-K20 PolarHBondContact O-N 3.32Å
21	S	45.1	Very low	47.8	Very low	97 Å²	97	113.5 Å²	113.5	68%	0.678	65%	0.649	S	S	*	*	S	Bend	trans	-95.5	1	179.2	-61.3	0	0	0	0	114.4	M17 D18	M17-S21 PolarHBondContact O-N 3Å; M17-S21 PolarHBondContact O-OG 2.8Å; D18-S21 PolarHBondContact O-N 2.79Å
22	A	41.1	Very low	46.5	Very low	74 Å²	74	112.9 Å²	112.9	61%	0.612	66%	0.664	S	S	*	*	S	Bend	trans	-92.3	127.6	177.2	0	0	0	0	0	112
23	P	39	Very low	44.8	Very low	132 Å²	132	111.8 Å²	111.8	86%	0.857	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-70.6	147.8	173.3	30.2	-34	0	0	0	111.4
24	G	32.7	Very low	43.4	Very low	86 Å²	86	120.9 Å²	120.9	89%	0.887	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-90.6	161.7	-162.9	0	0	0	0	0	117
25	G	34.4	Very low	42	Very low	79 Å²	79	122.7 Å²	122.7	81%	0.814	72%	0.717	S	S	*	*			trans	-156.8	146.5	166.6	0	0	0	0	0	109.4
26	Q	36.4	Very low	40.6	Very low	201 Å²	201	127.6 Å²	127.6	94%	0.939	74%	0.743	S	S	*	*			trans	-91.5	156.5	-174.6	-73.7	-177.4	-96.8	0	0	113.1
27	P	33.1	Very low	39.1	Very low	117 Å²	117	130.8 Å²	130.8	76%	0.76	76%	0.763	S	S	*	*			trans	-105.3	151.9	-172.9	38.5	-32.3	0	0	0	114.1
28	E	36.1	Very low	37.9	Very low	188 Å²	188	134.1 Å²	134.1	88%	0.879	78%	0.777	S	S	*	*			trans	-153.9	141.8	156.9	-133.7	160.5	-142.7	0	0	115.3
29	S	33.2	Very low	36.4	Very low	92 Å²	92	132.6 Å²	132.6	64%	0.643	78%	0.783	S	S	*	*			trans	43.9	125.7	151.6	58.6	0	0	0	0	125.5
30	T	34.4	Very low	35	Very low	122 Å²	122	134.1 Å²	134.1	75%	0.748	79%	0.789	S	S	*	*			trans	76.6	114	132.5	51.5	0	0	0	0	124.3
31	E	32.9	Very low	34.2	Very low	182 Å²	182	133.4 Å²	133.4	85%	0.85	80%	0.8	S	S	*	*				68.7	115.4	129.2	-59.2	-160.7	135.5	0	0	124
32	A	32.6	Very low	33.5	Very low	104 Å²	104	138.1 Å²	138.1	86%	0.86	80%	0.803	S	S	*	*			trans	63.4	108	130.1	0	0	0	0	0	121.7
33	G	30.3	Very low	33.1	Very low	69 Å²	69	140.8 Å²	140.8	71%	0.711	82%	0.817	S	S	*	*			trans	145.1	111	130.4	0	0	0	0	0	118.9
34	R	33.8	Very low	32.8	Very low	249 Å²	249	138.4 Å²	138.4	94%	0.94	82%	0.816	S	S	*	*			trans	67.6	129.2	152.9	-57.3	-177.7	-175.8	179.1	2.6	119.3
35	T	31.6	Very low	32.6	Very low	136 Å²	136	140.8 Å²	140.8	83%	0.834	81%	0.813	S	S	*	*			trans	-51.9	138.3	163.2	48.9	0	0	0	0	115.1
36	V	33.7	Very low	32.4	Very low	140 Å²	140	142.6 Å²	142.6	85%	0.848	81%	0.809	S	S	*	*			trans	-150	153.6	130.7	164	0	0	0	0	108
37	D	31.4	Very low	32	Very low	144 Å²	144	142 Å²	142	77%	0.77	81%	0.806	S	S	*	*			trans	-85.6	141.4	-176.1	-173	14.4	0	0	0	113.8
38	Q	34.3	Very low	31.9	Very low	186 Å²	186	140.3 Å²	140.3	87%	0.869	81%	0.809	S	S	*	*			trans	-177.1	153.1	162.2	-110.4	155.5	95.1	0	0	111.6
39	G	31.4	Very low	31.7	Very low	62 Å²	62	136 Å²	136	64%	0.639	81%	0.806	S	S	*	*			trans	-157.4	-148.1	-175.9	0	0	0	0	0	114.3
40	W	25.9	Very low	31.7	Very low	210 Å²	210	137.8 Å²	137.8	80%	0.795	81%	0.813	S	S	*	*			trans	79.2	157.4	-174.9	-65	101	0	0	0	114.7	R42	W40-R42 HydrophobicContact CE3-CG 3.54Å; W40-R42 HydrophobicContact CH2-CG 4.45Å; W40-R42 HydrophobicContact CZ3-CG 3.39Å
41	P	34.5	Very low	31.9	Very low	132 Å²	132	140.7 Å²	140.7	86%	0.857	81%	0.811	S	S	*	*			cis	-127.9	-173.2	26.5	41.9	-24.3	0	0	0	119
42	R	30.7	Very low	32.2	Very low	196 Å²	196	139.8 Å²	139.8	74%	0.74	81%	0.81	S	S	*	*			trans	-90.2	154.7	-159.4	-62.8	163.9	-179.5	175.3	-1.5	114.7	W40	W40-R42 HydrophobicContact CE3-CG 3.54Å; W40-R42 HydrophobicContact CH2-CG 4.45Å; W40-R42 HydrophobicContact CZ3-CG 3.39Å
43	S	32.4	Very low	32.7	Very low	130 Å²	130	144.9 Å²	144.9	91%	0.909	81%	0.808	S	S	*	*				178.9	157	120.8	41.9	0	0	0	0	112
44	G	32.7	Very low	33.9	Very low	81 Å²	81	143.7 Å²	143.7	84%	0.835	79%	0.788	S	S	*	*			trans	116.5	99.4	168.5	0	0	0	0	0	116.8
45	T	29.7	Very low	34.8	Very low	136 Å²	136	142.3 Å²	142.3	83%	0.834	78%	0.783	S	S	*	*			trans	-83.8	161.8	155.5	53.4	0	0	0	0	109
46	T	29.3	Very low	36.3	Very low	117 Å²	117	138.7 Å²	138.7	72%	0.718	76%	0.762	S	S	*	*			cis	-146.4	175.3	25.1	41	0	0	0	0	112.1
47	E	28.5	Very low	38.1	Very low	190 Å²	190	133 Å²	133	89%	0.888	73%	0.727	S	S	*	*			trans	23.2	107	150.1	-61.8	-180	146.1	0	0	119.7
48	G	30.7	Very low	40	Very low	80 Å²	80	130.2 Å²	130.2	83%	0.825	72%	0.719	S	S	*	*			trans	-121.5	78.5	175.8	0	0	0	0	0	114
49	A	31.3	Very low	42	Very low	98 Å²	98	124.2 Å²	124.2	81%	0.81	70%	0.697	S	S	*	*			trans	-67.5	140.8	171.8	0	0	0	0	0	111.5	R51	A49-R51 PolarHBondContact O-N 3.43Å
50	T	33.5	Very low	44.1	Very low	130 Å²	130	121.4 Å²	121.4	80%	0.798	67%	0.668	S	S	*	*			trans	-67.2	96.4	179.4	46.9	0	0	0	0	111.6	L52	T50-L52 PolarHBondContact O-N 2.9Å
51	R	39.7	Very low	46.4	Very low	183 Å²	183	112.4 Å²	112.4	69%	0.691	64%	0.636	S	S	*	*			trans	-56.6	109.5	171.8	-87.2	-178.2	159.2	-179.4	-8.4	110.6	A49 W53 E81	A49-R51 PolarHBondContact O-N 3.43Å; R51-W53 PolarHBondContact O-N 3.08Å; R51-W53 VanDerWaalsContact O-N 3.07Å; R51-E81 IonicContact CZ-OE1 3.36Å; R51-E81 IonicContact CZ-OE2 2.66Å; R51-E81 IonicContact NE-OE1 2.98Å; R51-E81 IonicContact NH1-OE2 3.85Å; R51-E81 IonicContact NH2-OE1 3Å; R51-E81 PolarHBondContact NH2-OE1 3.28Å; R51-E81 IonicContact NH2-OE2 3.42Å; R51-E81 PolarHBondContact NH2-OE2 2.68Å
52	L	38.2	Very low	48	Very low	162 Å²	162	109.8 Å²	109.8	85%	0.848	61%	0.613	S	S	*	*			trans	-69.2	100.4	172.1	-84	109.6	0	0	0	110.2	T50 C54	T50-L52 PolarHBondContact O-N 2.9Å; L52-C54 PolarHBondContact O-N 3.08Å; L52-C54 VanDerWaalsContact O-N 3.16Å
53	W	44.2	Very low	49.6	Very low	211 Å²	211	105.8 Å²	105.8	80%	0.799	61%	0.61	S	S	*	*			trans	-60	113.5	169.6	-93.7	73.3	0	0	0	110.9	R51 R55	R51-W53 PolarHBondContact O-N 3.08Å; R51-W53 VanDerWaalsContact O-N 3.07Å; W53-R55 PolarHBondContact O-N 3.29Å
54	C	54.7	Low	51.3	Low	44 Å²	44	101.7 Å²	101.7	30%	0.297	58%	0.58	S	S	.	*	P	Polyproline II helix	trans	-84.2	117.9	177.1	-162.4	0	0	0	0	109.9	L52 Y76 L79 N80	L52-C54 PolarHBondContact O-N 3.08Å; L52-C54 VanDerWaalsContact O-N 3.16Å; C54-Y76 WeakPolarHBondContact O-CD2 3.33Å; C54-L79 HydrophobicContact CB-CB 3.8Å; C54-L79 HydrophobicContact CB-CD1 3.91Å; C54-N80 PolarHBondContact O-ND2 3.02Å
55	R	52.1	Low	53.2	Low	220 Å²	220	99.8 Å²	99.8	83%	0.83	55%	0.551	S	S	*	*	P	Polyproline II helix	trans	-67.5	133.6	-168.6	-165.5	178.8	-163.3	157.3	8.6	111.6	W53	W53-R55 PolarHBondContact O-N 3.29Å
56	P	63.1	Low	55.6	Low	61 Å²	61	93.4 Å²	93.4	40%	0.396	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-59.6	146.2	-178.3	18.8	-30.7	0	0	0	113.6	Y76 F94	P56-Y76 HydrophobicContact CB-CD2 3.99Å; P56-Y76 HydrophobicContact CB-CE2 3.6Å; P56-Y76 HydrophobicContact CG-CE2 4.2Å; P56-F94 HydrophobicContact CB-CE1 3.72Å; P56-F94 HydrophobicContact CB-CZ 3.56Å
57	P	72.4	Confident	57.9	Low	19 Å²	19	89.6 Å²	89.6	12%	0.123	50%	0.495	C	S	.	.	P	Polyproline II helix	trans	-62.2	148.9	174.7	23.9	-32.2	0	0	0	112.3	R69 L73 F94	P57-R69 VanDerWaalsContact CB-NH2 3.29Å; P57-L73 HydrophobicContact CG-CD1 4.03Å; P57-F94 HydrophobicContact CG-CD1 4.17Å; P57-F94 HydrophobicContact CG-CE1 4.34Å; P57-F94 VanDerWaalsContact O-CD1 3.32Å; P57-F94 WeakPolarHBondContact O-CD1 3.26Å; P57-F94 WeakPolarHBondContact O-CE1 3.48Å
58	S	70.3	Confident	60	Low	86 Å²	86	82.2 Å²	82.2	60%	0.601	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-57.2	158.4	160.2	69.5	0	0	0	0	111.1	R69	S58-R69 PolarHBondContact O-NE 3.22Å; S58-R69 PolarHBondContact O-NH2 3.16Å; S58-R69 PolarHBondContact OG-NH2 3.5Å
59	C	76.1	Confident	62.4	Low	61 Å²	61	79.3 Å²	79.3	41%	0.412	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-56.8	157.2	-178	70.7	0	0	0	0	113.7	R69 F94	C59-R69 PolarHBondContact O-NE 2.94Å; C59-F94 CarbonylContact C-O 3.44Å; C59-F94 VanDerWaalsContact CA-O 3.25Å; C59-F94 WeakPolarHBondContact CA-O 3.39Å
60	F	77	Confident	65.1	Low	3 Å²	3	75.2 Å²	75.2	1%	0.013	39%	0.392	C	S	.	.	B	Isolated β-bridge	trans	-65.9	136.9	155.9	-110	-74.9	0	0	0	109.7	V66 R69 L70 L91 F94 V95 D96 V99 L119	F60-V66 HydrophobicContact CE1-CB 4.18Å; F60-V66 HydrophobicContact CE1-CG1 4.33Å; F60-V66 HydrophobicContact CE1-CG2 3.87Å; F60-V66 HydrophobicContact CZ-CB 4.34Å; F60-V66 HydrophobicContact CZ-CG1 4.11Å; F60-V66 HydrophobicContact CZ-CG2 4.47Å; F60-R69 HydrophobicContact CD1-CB 4.34Å; F60-R69 HydrophobicContact CD1-CG 4.06Å; F60-R69 HydrophobicContact CD2-CB 4.19Å; F60-R69 HydrophobicContact CD2-CG 3.58Å; F60-R69 HydrophobicContact CE1-CB 3.83Å; F60-R69 HydrophobicContact CE1-CG 4.05Å; F60-R69 HydrophobicContact CE2-CB 3.67Å; F60-R69 HydrophobicContact CE2-CG 3.58Å; F60-R69 HydrophobicContact CG-CB 4.5Å; F60-R69 HydrophobicContact CG-CG 3.83Å; F60-R69 HydrophobicContact CZ-CB 3.49Å; F60-R69 VanDerWaalsContact CZ-CB 3.49Å; F60-R69 HydrophobicContact CZ-CG 3.84Å; F60-L70 HydrophobicContact CE2-CD2 3.84Å; F60-L70 HydrophobicContact CE2-CG 4.17Å; F60-L70 HydrophobicContact CZ-CD2 4.12Å; F60-L70 HydrophobicContact CZ-CG 3.99Å; F60-L91 HydrophobicContact CD2-CD1 4.33Å; F60-L91 HydrophobicContact CE2-CD1 4.25Å; F60-F94 PolarHBondContact N-O 3Å; F60-V95 HydrophobicContact CB-CB 4.22Å; F60-V95 HydrophobicContact CB-CG1 3.65Å; F60-V95 HydrophobicContact CD2-CG1 4.42Å; F60-V95 HydrophobicContact CG-CG1 4.26Å; F60-D96 PolarHBondContact O-N 3.2Å; F60-V99 HydrophobicContact CB-CG1 4.44Å; F60-L119 HydrophobicContact CD2-CD1 4.39Å; F60-L119 HydrophobicContact CE1-CD1 4.38Å; F60-L119 HydrophobicContact CE2-CD1 3.93Å; F60-L119 HydrophobicContact CZ-CD1 3.91Å
61	S	73.7	Confident	67.4	Low	20 Å²	20	71.5 Å²	71.5	14%	0.14	37%	0.371	C	S	.	.			trans	-132.4	166.4	163.7	71.1	0	0	0	0	110.6	T63 T64 D96	S61-T63 PolarHBondContact O-N 3.33Å; S61-T63 PolarHBondContact OG-N 3.09Å; S61-T63 PolarHBondContact OG-OG1 3.05Å; S61-T64 PolarHBondContact N-OG1 3.37Å; S61-T64 PolarHBondContact O-N 3.22Å; S61-T64 VanDerWaalsContact O-N 3.13Å; S61-T64 PolarHBondContact O-OG1 3.27Å; S61-T64 PolarHBondContact OG-OG1 3.3Å; S61-T64 VanDerWaalsContact OG-OG1 3.1Å; S61-D96 WeakPolarHBondContact CA-OD2 3.29Å; S61-D96 WeakPolarHBondContact CB-OD2 3.44Å
62	H	68.4	Low	69.4	Low	78 Å²	78	69.6 Å²	69.6	36%	0.361	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-6.9	171.9	66.3	-103.7	0	0	0	114.1	D98 Y123 L130	H62-D98 IonicContact CE1-OD2 3.96Å; H62-D98 PolarHBondContact CE1-OD2 3.28Å; H62-D98 VanDerWaalsContact CE1-OD2 3.29Å; H62-D98 IonicContact ND1-OD2 3.02Å; H62-D98 PolarHBondContact ND1-OD2 3.13Å; H62-Y123 HydrophobicContact CB-CD1 4.17Å; H62-Y123 HydrophobicContact CB-CE1 3.64Å; H62-L130 VanDerWaalsContact O-CD2 3.32Å; H62-L130 WeakPolarHBondContact O-CD2 3.46Å
63	T	63.3	Low	71.8	Confident	112 Å²	112	62 Å²	62	69%	0.687	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	-2.4	177.2	69.1	0	0	0	0	114.6	S61	S61-T63 PolarHBondContact O-N 3.33Å; S61-T63 PolarHBondContact OG-N 3.09Å; S61-T63 PolarHBondContact OG-OG1 3.05Å
64	T	68	Low	73.9	Confident	44 Å²	44	54.9 Å²	54.9	27%	0.27	30%	0.301	S	S	.	.	S	Bend	trans	-101.9	140.3	-172.2	15.9	0	0	0	0	113.7	S61 V66	S61-T64 PolarHBondContact N-OG1 3.37Å; S61-T64 PolarHBondContact O-N 3.22Å; S61-T64 VanDerWaalsContact O-N 3.13Å; S61-T64 PolarHBondContact O-OG1 3.27Å; S61-T64 PolarHBondContact OG-OG1 3.3Å; S61-T64 VanDerWaalsContact OG-OG1 3.1Å; T64-V66 PolarHBondContact O-N 2.85Å; T64-V66 VanDerWaalsContact O-N 3.1Å
65	D	73.5	Confident	75.1	Confident	41 Å²	41	56.5 Å²	56.5	22%	0.219	31%	0.307	C	S	.	.			trans	-56.9	108.8	172.5	-175.4	-45.9	0	0	0	111.6	G67 V68 R69 T350	D65-G67 VanDerWaalsContact C-N 3.29Å; D65-G67 PolarHBondContact O-N 2.84Å; D65-G67 WeakPolarHBondContact OD1-CA 3.38Å; D65-G67 PolarHBondContact OD1-N 3.27Å; D65-V68 HydrophobicContact CB-CB 4.16Å; D65-V68 HydrophobicContact CB-CG2 4.28Å; D65-V68 PolarHBondContact OD1-N 3.34Å; D65-R69 WeakPolarHBondContact O-CB 3.44Å; D65-R69 PolarHBondContact O-N 2.89Å; D65-T350 WeakPolarHBondContact OD2-CB 3.38Å; D65-T350 WeakPolarHBondContact OD2-CG2 3.39Å; D65-T350 PolarHBondContact OD2-OG1 3.39Å
66	V	80.7	Confident	76.8	Confident	2 Å²	2	47.9 Å²	47.9	1%	0.012	28%	0.275	C	S	.	.	H	α-helix	trans	-58.9	-37.5	-178.2	174.7	0	0	0	0	112.4	F60 T64 R69 L70 L119 K120 Y123	F60-V66 HydrophobicContact CE1-CB 4.18Å; F60-V66 HydrophobicContact CE1-CG1 4.33Å; F60-V66 HydrophobicContact CE1-CG2 3.87Å; F60-V66 HydrophobicContact CZ-CB 4.34Å; F60-V66 HydrophobicContact CZ-CG1 4.11Å; F60-V66 HydrophobicContact CZ-CG2 4.47Å; T64-V66 PolarHBondContact O-N 2.85Å; T64-V66 VanDerWaalsContact O-N 3.1Å; V66-R69 PolarHBondContact O-N 3.04Å; V66-L70 HydrophobicContact CG1-CD1 3.82Å; V66-L70 HydrophobicContact CG1-CG 4.22Å; V66-L70 WeakPolarHBondContact O-CB 3.36Å; V66-L70 VanDerWaalsContact O-CG 3.29Å; V66-L70 WeakPolarHBondContact O-CG 3.31Å; V66-L70 PolarHBondContact O-N 2.83Å; V66-L119 HydrophobicContact CG1-CB 3.99Å; V66-K120 HydrophobicContact CG1-CG 4.03Å; V66-Y123 VanDerWaalsContact CG2-CB 3.5Å; V66-Y123 WeakPolarHBondContact CG2-O 3.4Å
67	G	75.9	Confident	78	Confident	36 Å²	36	45 Å²	45	37%	0.371	26%	0.256	S	S	.	.	H	α-helix	trans	-67.5	-54.3	-177.7	0	0	0	0	0	111.1	D65 R69 L70 S71	D65-G67 VanDerWaalsContact C-N 3.29Å; D65-G67 PolarHBondContact O-N 2.84Å; D65-G67 WeakPolarHBondContact OD1-CA 3.38Å; D65-G67 PolarHBondContact OD1-N 3.27Å; G67-R69 PolarHBondContact O-N 3.45Å; G67-L70 PolarHBondContact O-N 2.84Å; G67-S71 PolarHBondContact O-N 3.11Å
68	V	72.6	Confident	78.6	Confident	35 Å²	35	50.2 Å²	50.2	21%	0.212	28%	0.28	C	S	.	.	H	α-helix	trans	-60.8	-36.3	176.1	177.2	0	0	0	0	111.2	D65 R72 M421	D65-V68 HydrophobicContact CB-CB 4.16Å; D65-V68 HydrophobicContact CB-CG2 4.28Å; D65-V68 PolarHBondContact OD1-N 3.34Å; V68-R72 WeakPolarHBondContact O-CG 3.5Å; V68-R72 PolarHBondContact O-N 3.35Å; V68-M421 HydrophobicContact CG2-CE 3.97Å
69	R	81.6	Confident	78.9	Confident	19 Å²	19	51.4 Å²	51.4	7%	0.072	28%	0.279	C	S	.	.	H	α-helix	trans	-71.7	-42.2	-178.7	-151.2	87.2	-143.3	79.8	-27.4	112.4	P57 S58 C59 F60 D65 V66 G67 L73	P57-R69 VanDerWaalsContact CB-NH2 3.29Å; S58-R69 PolarHBondContact O-NE 3.22Å; S58-R69 PolarHBondContact O-NH2 3.16Å; S58-R69 PolarHBondContact OG-NH2 3.5Å; C59-R69 PolarHBondContact O-NE 2.94Å; F60-R69 HydrophobicContact CD1-CB 4.34Å; F60-R69 HydrophobicContact CD1-CG 4.06Å; F60-R69 HydrophobicContact CD2-CB 4.19Å; F60-R69 HydrophobicContact CD2-CG 3.58Å; F60-R69 HydrophobicContact CE1-CB 3.83Å; F60-R69 HydrophobicContact CE1-CG 4.05Å; F60-R69 HydrophobicContact CE2-CB 3.67Å; F60-R69 HydrophobicContact CE2-CG 3.58Å; F60-R69 HydrophobicContact CG-CB 4.5Å; F60-R69 HydrophobicContact CG-CG 3.83Å; F60-R69 HydrophobicContact CZ-CB 3.49Å; F60-R69 VanDerWaalsContact CZ-CB 3.49Å; F60-R69 HydrophobicContact CZ-CG 3.84Å; D65-R69 WeakPolarHBondContact O-CB 3.44Å; D65-R69 PolarHBondContact O-N 2.89Å; V66-R69 PolarHBondContact O-N 3.04Å; G67-R69 PolarHBondContact O-N 3.45Å; R69-L73 PolarHBondContact O-N 2.76Å
70	L	87.5	Confident	79.1	Confident	13 Å²	13	50.4 Å²	50.4	7%	0.068	27%	0.27	C	S	.	.	H	α-helix	trans	-68.8	-40	175.8	-73.6	178.8	0	0	0	112.5	F60 V66 G67 R72 L73 N74 L91 T116 L119 K120	F60-L70 HydrophobicContact CE2-CD2 3.84Å; F60-L70 HydrophobicContact CE2-CG 4.17Å; F60-L70 HydrophobicContact CZ-CD2 4.12Å; F60-L70 HydrophobicContact CZ-CG 3.99Å; V66-L70 HydrophobicContact CG1-CD1 3.82Å; V66-L70 HydrophobicContact CG1-CG 4.22Å; V66-L70 WeakPolarHBondContact O-CB 3.36Å; V66-L70 VanDerWaalsContact O-CG 3.29Å; V66-L70 WeakPolarHBondContact O-CG 3.31Å; V66-L70 PolarHBondContact O-N 2.83Å; G67-L70 PolarHBondContact O-N 2.84Å; L70-R72 PolarHBondContact O-N 3.03Å; L70-L73 WeakPolarHBondContact O-CB 3.28Å; L70-L73 PolarHBondContact O-N 2.89Å; L70-N74 PolarHBondContact O-N 3.25Å; L70-L91 HydrophobicContact CD2-CD1 4.15Å; L70-T116 HydrophobicContact CD1-CG2 3.96Å; L70-T116 HydrophobicContact CD2-CG2 3.57Å; L70-T116 HydrophobicContact CG-CG2 4.41Å; L70-L119 HydrophobicContact CD2-CD1 4.34Å; L70-K120 HydrophobicContact CD1-CG 4.48Å
71	S	83.1	Confident	79.4	Confident	51 Å²	51	56.8 Å²	56.8	36%	0.357	30%	0.3	S	S	.	.	H	α-helix	trans	-56.6	-51.8	174.9	-163.6	0	0	0	0	110.4	G67 L73 N74 D75	G67-S71 PolarHBondContact O-N 3.11Å; S71-L73 PolarHBondContact O-N 2.76Å; S71-L73 VanDerWaalsContact O-N 3.12Å; S71-N74 WeakPolarHBondContact O-CB 3.05Å; S71-N74 PolarHBondContact O-N 3.06Å; S71-N74 VanDerWaalsContact O-N 3.09Å; S71-D75 PolarHBondContact O-N 2.92Å
72	R	81	Confident	79.8	Confident	143 Å²	143	57.5 Å²	57.5	54%	0.54	30%	0.303	S	S	.	.	H	α-helix	trans	-62.9	-19.8	176.9	-71.1	176.8	177	179.9	0.3	114.6	V68 L70 D75 Y76	V68-R72 WeakPolarHBondContact O-CG 3.5Å; V68-R72 PolarHBondContact O-N 3.35Å; L70-R72 PolarHBondContact O-N 3.03Å; R72-D75 WeakPolarHBondContact CA-OD2 3.28Å; R72-Y76 WeakPolarHBondContact O-CB 3.45Å; R72-Y76 PolarHBondContact O-N 3.43Å
73	L	88.5	Confident	80.6	Confident	2 Å²	2	56.8 Å²	56.8	1%	0.01	31%	0.307	C	S	.	.	H	α-helix	trans	-82.1	-44	173.3	-172.7	65.7	0	0	0	110.8	P57 R69 L70 S71 D75 Y76 L77 V90 L91 F94 Y112	P57-L73 HydrophobicContact CG-CD1 4.03Å; R69-L73 PolarHBondContact O-N 2.76Å; L70-L73 WeakPolarHBondContact O-CB 3.28Å; L70-L73 PolarHBondContact O-N 2.89Å; S71-L73 PolarHBondContact O-N 2.76Å; S71-L73 VanDerWaalsContact O-N 3.12Å; L73-D75 VanDerWaalsContact C-N 3.33Å; L73-D75 PolarHBondContact O-N 2.7Å; L73-Y76 HydrophobicContact CD1-CD1 4.21Å; L73-Y76 PolarHBondContact O-N 3.01Å; L73-L77 HydrophobicContact CG-CD1 3.95Å; L73-L77 HydrophobicContact CG-CG 4.39Å; L73-L77 WeakPolarHBondContact O-CB 3.47Å; L73-L77 WeakPolarHBondContact O-CG 3.3Å; L73-L77 PolarHBondContact O-N 3.46Å; L73-V90 HydrophobicContact CD1-CG1 4.16Å; L73-L91 HydrophobicContact CD2-CB 4.13Å; L73-L91 HydrophobicContact CD2-CD1 3.55Å; L73-L91 HydrophobicContact CD2-CG 4.39Å; L73-F94 HydrophobicContact CD1-CD2 4.46Å; L73-F94 HydrophobicContact CD1-CG 4.43Å; L73-Y112 HydrophobicContact CD2-CE2 4.13Å
74	N	89.1	Confident	81.7	Confident	63 Å²	63	58.5 Å²	58.5	34%	0.337	31%	0.307	S	S	.	.	H	α-helix	trans	-56.7	-47.4	170.6	-75.8	9.6	0	0	0	110.8	L70 S71 Y76 L77 M78 Y112	L70-N74 PolarHBondContact O-N 3.25Å; S71-N74 WeakPolarHBondContact O-CB 3.05Å; S71-N74 PolarHBondContact O-N 3.06Å; S71-N74 VanDerWaalsContact O-N 3.09Å; N74-Y76 VanDerWaalsContact C-N 3.29Å; N74-Y76 PolarHBondContact O-N 2.91Å; N74-L77 PolarHBondContact O-N 3.1Å; N74-M78 WeakPolarHBondContact O-CB 3.41Å; N74-M78 VanDerWaalsContact O-CG 3.25Å; N74-M78 WeakPolarHBondContact O-CG 3.12Å; N74-M78 PolarHBondContact O-N 3.32Å; N74-Y112 WeakPolarHBondContact OD1-CE1 3.38Å; N74-Y112 PolarHBondContact OD1-OH 3.03Å
75	D	80.4	Confident	82.6	Confident	77 Å²	77	61.9 Å²	61.9	41%	0.412	32%	0.324	S	S	.	.	H	α-helix	trans	-54.2	-46.7	176.6	-57	-28.7	0	0	0	111	S71 R72 L73 L79	S71-D75 PolarHBondContact O-N 2.92Å; R72-D75 WeakPolarHBondContact CA-OD2 3.28Å; L73-D75 VanDerWaalsContact C-N 3.33Å; L73-D75 PolarHBondContact O-N 2.7Å; D75-L79 WeakPolarHBondContact O-CB 3.23Å; D75-L79 WeakPolarHBondContact O-CD1 3.48Å; D75-L79 WeakPolarHBondContact O-CG 3.5Å; D75-L79 PolarHBondContact O-N 3.36Å
76	Y	86.2	Confident	83.4	Confident	39 Å²	39	65.1 Å²	65.1	15%	0.153	34%	0.336	C	S	.	.	H	α-helix	trans	-66	-43.1	178.4	167.7	-101.4	0	0	0	113	C54 P56 R72 L73 N74 N80 V90 F94	C54-Y76 WeakPolarHBondContact O-CD2 3.33Å; P56-Y76 HydrophobicContact CB-CD2 3.99Å; P56-Y76 HydrophobicContact CB-CE2 3.6Å; P56-Y76 HydrophobicContact CG-CE2 4.2Å; R72-Y76 WeakPolarHBondContact O-CB 3.45Å; R72-Y76 PolarHBondContact O-N 3.43Å; L73-Y76 HydrophobicContact CD1-CD1 4.21Å; L73-Y76 PolarHBondContact O-N 3.01Å; N74-Y76 VanDerWaalsContact C-N 3.29Å; N74-Y76 PolarHBondContact O-N 2.91Å; Y76-N80 WeakPolarHBondContact CD2-ND2 3.26Å; Y76-N80 WeakPolarHBondContact CE2-ND2 3.4Å; Y76-N80 WeakPolarHBondContact O-CB 3.48Å; Y76-N80 PolarHBondContact O-N 3.33Å; Y76-N80 PolarHBondContact O-ND2 2.84Å; Y76-V90 HydrophobicContact CE1-CG1 4.31Å; Y76-F94 HydrophobicContact CE1-CE2 4.32Å; Y76-F94 HydrophobicContact CE1-CZ 4.49Å
77	L	89.4	Confident	84	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-64.3	-45.4	179.2	-71.4	165.4	0	0	0	111	L73 N74 E81 V82 W87 V90 Y112	L73-L77 HydrophobicContact CG-CD1 3.95Å; L73-L77 HydrophobicContact CG-CG 4.39Å; L73-L77 WeakPolarHBondContact O-CB 3.47Å; L73-L77 WeakPolarHBondContact O-CG 3.3Å; L73-L77 PolarHBondContact O-N 3.46Å; N74-L77 PolarHBondContact O-N 3.1Å; L77-E81 PolarHBondContact O-N 3.39Å; L77-V82 HydrophobicContact CB-CB 4.39Å; L77-V82 HydrophobicContact CD2-CB 3.78Å; L77-V82 HydrophobicContact CD2-CG1 3.66Å; L77-V82 HydrophobicContact CD2-CG2 4.14Å; L77-V82 WeakPolarHBondContact O-CB 3.39Å; L77-V82 PolarHBondContact O-N 2.99Å; L77-W87 HydrophobicContact CB-CD2 4.44Å; L77-W87 HydrophobicContact CB-CZ2 4.15Å; L77-W87 HydrophobicContact CD1-CB 4.24Å; L77-W87 HydrophobicContact CD1-CD2 3.74Å; L77-W87 HydrophobicContact CD1-CE3 4.13Å; L77-W87 HydrophobicContact CD1-CG 3.79Å; L77-W87 HydrophobicContact CD2-CG 4.18Å; L77-W87 HydrophobicContact CG-CG 4.46Å; L77-V90 HydrophobicContact CD2-CB 4.05Å; L77-V90 HydrophobicContact CD2-CG1 3.89Å; L77-V90 HydrophobicContact CD2-CG2 4.2Å; L77-Y112 HydrophobicContact CD1-CE2 4.27Å
78	M	84.8	Confident	84.7	Confident	129 Å²	129	65.7 Å²	65.7	64%	0.635	33%	0.331	S	S	*	.	H	α-helix	trans	-68.9	-48.6	179.6	-66.9	-66.5	-73.1	0	0	112.2	N74 N80 E81 W87	N74-M78 WeakPolarHBondContact O-CB 3.41Å; N74-M78 VanDerWaalsContact O-CG 3.25Å; N74-M78 WeakPolarHBondContact O-CG 3.12Å; N74-M78 PolarHBondContact O-N 3.32Å; M78-N80 VanDerWaalsContact C-N 3.26Å; M78-N80 PolarHBondContact O-N 3.42Å; M78-E81 PolarHBondContact O-N 3.4Å; M78-W87 HydrophobicContact SD-CH2 3.94Å; M78-W87 HydrophobicContact SD-CZ2 3.84Å
79	L	76.1	Confident	85.4	Confident	111 Å²	111	67 Å²	67	58%	0.581	35%	0.345	S	S	*	.	H	α-helix	trans	-71.4	-17	-175.9	-69.3	169.2	0	0	0	114.2	C54 D75	C54-L79 HydrophobicContact CB-CB 3.8Å; C54-L79 HydrophobicContact CB-CD1 3.91Å; D75-L79 WeakPolarHBondContact O-CB 3.23Å; D75-L79 WeakPolarHBondContact O-CD1 3.48Å; D75-L79 WeakPolarHBondContact O-CG 3.5Å; D75-L79 PolarHBondContact O-N 3.36Å
80	N	81	Confident	85.8	Confident	40 Å²	40	67.3 Å²	67.3	21%	0.214	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	18.9	175.5	-62.1	-83.5	0	0	0	112.9	C54 Y76 M78 V82	C54-N80 PolarHBondContact O-ND2 3.02Å; Y76-N80 WeakPolarHBondContact CD2-ND2 3.26Å; Y76-N80 WeakPolarHBondContact CE2-ND2 3.4Å; Y76-N80 WeakPolarHBondContact O-CB 3.48Å; Y76-N80 PolarHBondContact O-N 3.33Å; Y76-N80 PolarHBondContact O-ND2 2.84Å; M78-N80 VanDerWaalsContact C-N 3.26Å; M78-N80 PolarHBondContact O-N 3.42Å; N80-V82 HydrophobicContact CB-CG2 4.22Å; N80-V82 PolarHBondContact O-N 2.64Å
81	E	83.5	Confident	85.9	Confident	138 Å²	138	66.7 Å²	66.7	65%	0.645	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	36.4	174.8	-62.9	170.4	-168.6	0	0	113.5	R51 L77 M78 S83	R51-E81 IonicContact CZ-OE1 3.36Å; R51-E81 IonicContact CZ-OE2 2.66Å; R51-E81 IonicContact NE-OE1 2.98Å; R51-E81 IonicContact NH1-OE2 3.85Å; R51-E81 IonicContact NH2-OE1 3Å; R51-E81 PolarHBondContact NH2-OE1 3.28Å; R51-E81 IonicContact NH2-OE2 3.42Å; R51-E81 PolarHBondContact NH2-OE2 2.68Å; L77-E81 PolarHBondContact O-N 3.39Å; M78-E81 PolarHBondContact O-N 3.4Å; E81-S83 PolarHBondContact O-N 2.96Å
82	V	82.2	Confident	86.3	Confident	34 Å²	34	66.1 Å²	66.1	21%	0.206	34%	0.336	C	S	.	.			trans	-76.9	114.4	-178.4	-173.8	0	0	0	0	109.7	L77 N80 K86 W87 V90	L77-V82 HydrophobicContact CB-CB 4.39Å; L77-V82 HydrophobicContact CD2-CB 3.78Å; L77-V82 HydrophobicContact CD2-CG1 3.66Å; L77-V82 HydrophobicContact CD2-CG2 4.14Å; L77-V82 WeakPolarHBondContact O-CB 3.39Å; L77-V82 PolarHBondContact O-N 2.99Å; N80-V82 HydrophobicContact CB-CG2 4.22Å; N80-V82 PolarHBondContact O-N 2.64Å; V82-K86 HydrophobicContact CG1-CB 4.12Å; V82-W87 PolarHBondContact O-NE1 3.26Å; V82-V90 HydrophobicContact CG1-CG2 4.4Å
83	S	85.3	Confident	86.5	Confident	64 Å²	64	60.5 Å²	60.5	45%	0.448	32%	0.319	S	S	.	.			trans	-57	140	176.4	-177.9	0	0	0	0	113.1	E81 D85 K86 W87	E81-S83 PolarHBondContact O-N 2.96Å; S83-D85 VanDerWaalsContact C-N 3.28Å; S83-D85 WeakPolarHBondContact CB-OD1 2.87Å; S83-D85 PolarHBondContact O-N 2.83Å; S83-D85 PolarHBondContact OG-OD1 2.64Å; S83-K86 WeakPolarHBondContact O-CB 3.39Å; S83-K86 PolarHBondContact O-N 3.18Å; S83-W87 VanDerWaalsContact O-CD1 3.29Å
84	E	85.6	Confident	86.3	Confident	147 Å²	147	61 Å²	61	69%	0.687	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-59.9	-31.5	-170.1	-68.6	-170.1	151.8	0	0	114.2	K86 W87	E84-K86 PolarHBondContact O-N 3.29Å; E84-W87 VanDerWaalsContact CA-CD1 3.48Å; E84-W87 HydrophobicContact CG-CD2 4.45Å; E84-W87 HydrophobicContact CG-CZ2 4.21Å; E84-W87 WeakPolarHBondContact O-CB 3.49Å; E84-W87 PolarHBondContact O-N 2.88Å
85	D	87.7	Confident	86.1	Confident	116 Å²	116	58.6 Å²	58.6	62%	0.62	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-55	-23	174.7	69	-62.3	0	0	0	113.1	S83	S83-D85 VanDerWaalsContact C-N 3.28Å; S83-D85 WeakPolarHBondContact CB-OD1 2.87Å; S83-D85 PolarHBondContact O-N 2.83Å; S83-D85 PolarHBondContact OG-OD1 2.64Å
86	K	89.1	Confident	86.3	Confident	108 Å²	108	56.4 Å²	56.4	47%	0.47	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-97.9	-12.7	-177.9	-61.9	163.8	-164.4	168.5	0	113	V82 S83 E84 A88 A89 V90	V82-K86 HydrophobicContact CG1-CB 4.12Å; S83-K86 WeakPolarHBondContact O-CB 3.39Å; S83-K86 PolarHBondContact O-N 3.18Å; E84-K86 PolarHBondContact O-N 3.29Å; K86-A88 VanDerWaalsContact C-N 3.32Å; K86-A88 PolarHBondContact O-N 3.06Å; K86-A89 WeakPolarHBondContact O-CB 3.42Å; K86-A89 PolarHBondContact O-N 3.39Å; K86-V90 WeakPolarHBondContact O-CG2 2.99Å; K86-V90 PolarHBondContact O-N 3.49Å
87	W	93.6	Very high	86	Confident	31 Å²	31	60.1 Å²	60.1	12%	0.117	32%	0.319	C	S	.	.	H	α-helix	trans	-60.5	-40.1	-172	-74	22.8	0	0	0	112.5	L77 M78 V82 S83 E84 V90 L91 Y112	L77-W87 HydrophobicContact CB-CD2 4.44Å; L77-W87 HydrophobicContact CB-CZ2 4.15Å; L77-W87 HydrophobicContact CD1-CB 4.24Å; L77-W87 HydrophobicContact CD1-CD2 3.74Å; L77-W87 HydrophobicContact CD1-CE3 4.13Å; L77-W87 HydrophobicContact CD1-CG 3.79Å; L77-W87 HydrophobicContact CD2-CG 4.18Å; L77-W87 HydrophobicContact CG-CG 4.46Å; M78-W87 HydrophobicContact SD-CH2 3.94Å; M78-W87 HydrophobicContact SD-CZ2 3.84Å; V82-W87 PolarHBondContact O-NE1 3.26Å; S83-W87 VanDerWaalsContact O-CD1 3.29Å; E84-W87 VanDerWaalsContact CA-CD1 3.48Å; E84-W87 HydrophobicContact CG-CD2 4.45Å; E84-W87 HydrophobicContact CG-CZ2 4.21Å; E84-W87 WeakPolarHBondContact O-CB 3.49Å; E84-W87 PolarHBondContact O-N 2.88Å; W87-V90 PolarHBondContact O-N 2.97Å; W87-L91 WeakPolarHBondContact O-CB 3.36Å; W87-L91 PolarHBondContact O-N 3.4Å; W87-Y112 HydrophobicContact CB-CD2 3.79Å; W87-Y112 HydrophobicContact CB-CE2 4.32Å; W87-Y112 HydrophobicContact CB-CG 3.9Å; W87-Y112 AromaticContact CE3-CD1 3.63Å; W87-Y112 HydrophobicContact CE3-CD1 3.63Å; W87-Y112 AromaticContact CE3-CE1 3.64Å; W87-Y112 HydrophobicContact CE3-CE1 3.64Å; W87-Y112 HydrophobicContact CE3-CG 4.17Å; W87-Y112 HydrophobicContact CZ3-CD1 4.31Å; W87-Y112 HydrophobicContact CZ3-CE1 4.09Å; W87-Y112 WeakPolarHBondContact O-CD2 3.38Å
88	A	91.5	Very high	85.3	Confident	20 Å²	20	64.6 Å²	64.6	17%	0.165	34%	0.343	C	S	.	.	H	α-helix	trans	-63.3	-41.7	174.5	0	0	0	0	0	112.6	K86 L91 R92 L115	K86-A88 VanDerWaalsContact C-N 3.32Å; K86-A88 PolarHBondContact O-N 3.06Å; A88-L91 PolarHBondContact O-N 2.82Å; A88-R92 WeakPolarHBondContact O-CG 3.15Å; A88-R92 PolarHBondContact O-N 2.74Å; A88-L115 HydrophobicContact CB-CD1 3.77Å
89	A	86.8	Confident	85.4	Confident	62 Å²	62	58.4 Å²	58.4	51%	0.512	31%	0.313	S	S	.	.	H	α-helix	trans	-68.6	-37.8	177.6	0	0	0	0	0	112.2	K86 R92 S93	K86-A89 WeakPolarHBondContact O-CB 3.42Å; K86-A89 PolarHBondContact O-N 3.39Å; A89-R92 PolarHBondContact O-N 3.1Å; A89-S93 PolarHBondContact O-N 2.85Å; A89-S93 VanDerWaalsContact O-N 3.08Å
90	V	88.6	Confident	86	Confident	25 Å²	25	58.7 Å²	58.7	15%	0.152	31%	0.307	C	S	.	.	H	α-helix	trans	-67.7	-43.2	174.1	178.1	0	0	0	0	110.6	L73 Y76 L77 V82 K86 W87 R92 S93 F94	L73-V90 HydrophobicContact CD1-CG1 4.16Å; Y76-V90 HydrophobicContact CE1-CG1 4.31Å; L77-V90 HydrophobicContact CD2-CB 4.05Å; L77-V90 HydrophobicContact CD2-CG1 3.89Å; L77-V90 HydrophobicContact CD2-CG2 4.2Å; V82-V90 HydrophobicContact CG1-CG2 4.4Å; K86-V90 WeakPolarHBondContact O-CG2 2.99Å; K86-V90 PolarHBondContact O-N 3.49Å; W87-V90 PolarHBondContact O-N 2.97Å; V90-R92 VanDerWaalsContact C-N 3.3Å; V90-R92 PolarHBondContact O-N 2.83Å; V90-S93 PolarHBondContact O-N 3.02Å; V90-S93 PolarHBondContact O-OG 3.16Å; V90-F94 HydrophobicContact CG1-CD2 3.6Å; V90-F94 HydrophobicContact CG1-CE2 3.82Å; V90-F94 WeakPolarHBondContact O-CD2 3.27Å; V90-F94 PolarHBondContact O-N 3Å
91	L	91.2	Very high	86.2	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-59.7	-42.2	174.9	-178.7	55.7	0	0	0	111.9	F60 L70 L73 W87 A88 S93 F94 V95 L103 Y112 L115 T116 L119	F60-L91 HydrophobicContact CD2-CD1 4.33Å; F60-L91 HydrophobicContact CE2-CD1 4.25Å; L70-L91 HydrophobicContact CD2-CD1 4.15Å; L73-L91 HydrophobicContact CD2-CB 4.13Å; L73-L91 HydrophobicContact CD2-CD1 3.55Å; L73-L91 HydrophobicContact CD2-CG 4.39Å; W87-L91 WeakPolarHBondContact O-CB 3.36Å; W87-L91 PolarHBondContact O-N 3.4Å; A88-L91 PolarHBondContact O-N 2.82Å; L91-S93 PolarHBondContact O-N 3.32Å; L91-F94 PolarHBondContact O-N 2.59Å; L91-V95 WeakPolarHBondContact O-CG1 3.44Å; L91-L103 HydrophobicContact CG-CD1 4.31Å; L91-Y112 HydrophobicContact CB-CD2 4.06Å; L91-Y112 HydrophobicContact CB-CE2 3.93Å; L91-Y112 HydrophobicContact CD2-CD2 3.86Å; L91-Y112 HydrophobicContact CD2-CE2 3.79Å; L91-Y112 HydrophobicContact CG-CE2 4.36Å; L91-L115 HydrophobicContact CD2-CB 3.56Å; L91-L115 HydrophobicContact CD2-CD1 4.43Å; L91-T116 HydrophobicContact CD2-CG2 3.71Å; L91-L119 HydrophobicContact CD1-CD1 3.8Å; L91-L119 HydrophobicContact CD2-CD1 4.14Å; L91-L119 HydrophobicContact CG-CD1 4.31Å
92	R	90.1	Very high	86.2	Confident	39 Å²	39	55.2 Å²	55.2	15%	0.147	30%	0.296	C	S	.	.	H	α-helix	trans	-66.4	-18.5	174.1	-73.3	-176.8	173.3	-68.7	1.4	114.2	A88 A89 V90 V95 L103 G107 L115	A88-R92 WeakPolarHBondContact O-CG 3.15Å; A88-R92 PolarHBondContact O-N 2.74Å; A89-R92 PolarHBondContact O-N 3.1Å; V90-R92 VanDerWaalsContact C-N 3.3Å; V90-R92 PolarHBondContact O-N 2.83Å; R92-V95 WeakPolarHBondContact O-CG2 3.36Å; R92-L103 HydrophobicContact CG-CD1 4.49Å; R92-L103 VanDerWaalsContact CZ-O 3.24Å; R92-L103 VanDerWaalsContact NH1-C 3.29Å; R92-L103 PolarHBondContact NH1-O 2.83Å; R92-L103 PolarHBondContact NH2-O 3.24Å; R92-G107 PolarHBondContact NH2-O 3.26Å; R92-L115 HydrophobicContact CG-CD1 4.09Å
93	S	85	Confident	86.5	Confident	26 Å²	26	53.6 Å²	53.6	18%	0.182	29%	0.286	C	S	.	.	H	α-helix	trans	-96	-16	177.2	77.9	0	0	0	0	114	A89 V90 L91 S1249 C1250	A89-S93 PolarHBondContact O-N 2.85Å; A89-S93 VanDerWaalsContact O-N 3.08Å; V90-S93 PolarHBondContact O-N 3.02Å; V90-S93 PolarHBondContact O-OG 3.16Å; L91-S93 PolarHBondContact O-N 3.32Å; S93-S1249 WeakPolarHBondContact CB-O 3.39Å; S93-C1250 WeakPolarHBondContact O-CA 3.49Å; S93-C1250 VanDerWaalsContact O-CB 3.32Å; S93-C1250 WeakPolarHBondContact O-CB 3.4Å
94	F	85	Confident	86.5	Confident	13 Å²	13	52.9 Å²	52.9	6%	0.057	28%	0.284	C	S	.	.	S	Bend	trans	-99.1	21.8	179	-86	-85.3	0	0	0	114.3	P56 P57 C59 F60 L73 Y76 V90 L91 C1250	P56-F94 HydrophobicContact CB-CE1 3.72Å; P56-F94 HydrophobicContact CB-CZ 3.56Å; P57-F94 HydrophobicContact CG-CD1 4.17Å; P57-F94 HydrophobicContact CG-CE1 4.34Å; P57-F94 VanDerWaalsContact O-CD1 3.32Å; P57-F94 WeakPolarHBondContact O-CD1 3.26Å; P57-F94 WeakPolarHBondContact O-CE1 3.48Å; C59-F94 CarbonylContact C-O 3.44Å; C59-F94 VanDerWaalsContact CA-O 3.25Å; C59-F94 WeakPolarHBondContact CA-O 3.39Å; F60-F94 PolarHBondContact N-O 3Å; L73-F94 HydrophobicContact CD1-CD2 4.46Å; L73-F94 HydrophobicContact CD1-CG 4.43Å; Y76-F94 HydrophobicContact CE1-CE2 4.32Å; Y76-F94 HydrophobicContact CE1-CZ 4.49Å; V90-F94 HydrophobicContact CG1-CD2 3.6Å; V90-F94 HydrophobicContact CG1-CE2 3.82Å; V90-F94 WeakPolarHBondContact O-CD2 3.27Å; V90-F94 PolarHBondContact O-N 3Å; L91-F94 PolarHBondContact O-N 2.59Å; F94-C1250 HydrophobicContact CD1-CB 4.24Å; F94-C1250 HydrophobicContact CD2-CB 4.25Å; F94-C1250 HydrophobicContact CE1-CB 3.95Å; F94-C1250 HydrophobicContact CE2-CB 3.99Å; F94-C1250 HydrophobicContact CG-CB 4.38Å; F94-C1250 HydrophobicContact CZ-CB 3.83Å
95	V	85.7	Confident	86.5	Confident	11 Å²	11	51.5 Å²	51.5	7%	0.067	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-114.6	154.5	177.9	-70.6	0	0	0	0	112	F60 L91 R92 V99 Y100 L103	F60-V95 HydrophobicContact CB-CB 4.22Å; F60-V95 HydrophobicContact CB-CG1 3.65Å; F60-V95 HydrophobicContact CD2-CG1 4.42Å; F60-V95 HydrophobicContact CG-CG1 4.26Å; L91-V95 WeakPolarHBondContact O-CG1 3.44Å; R92-V95 WeakPolarHBondContact O-CG2 3.36Å; V95-V99 HydrophobicContact CB-CB 4.05Å; V95-V99 HydrophobicContact CB-CG1 3.89Å; V95-V99 HydrophobicContact CG1-CB 4.24Å; V95-V99 HydrophobicContact CG1-CG1 3.53Å; V95-Y100 HydrophobicContact CG2-CD2 4Å; V95-Y100 HydrophobicContact CG2-CG 4.45Å; V95-L103 HydrophobicContact CG1-CD1 3.9Å; V95-L103 HydrophobicContact CG2-CD1 4.37Å
96	D	83.5	Confident	86.6	Confident	32 Å²	32	48.8 Å²	48.8	17%	0.171	26%	0.261	C	S	.	.			trans	-78.4	172.5	167.4	72	9	0	0	0	112.3	F60 S61 D98 V99 Y100	F60-D96 PolarHBondContact O-N 3.2Å; S61-D96 WeakPolarHBondContact CA-OD2 3.29Å; S61-D96 WeakPolarHBondContact CB-OD2 3.44Å; D96-D98 VanDerWaalsContact C-N 3.3Å; D96-D98 PolarHBondContact O-N 2.9Å; D96-D98 PolarHBondContact OD1-N 2.88Å; D96-V99 PolarHBondContact O-N 2.8Å; D96-V99 WeakPolarHBondContact OD1-CB 3.32Å; D96-V99 VanDerWaalsContact OD1-CG2 3.26Å; D96-V99 WeakPolarHBondContact OD1-CG2 3.48Å; D96-V99 PolarHBondContact OD1-N 3.38Å; D96-Y100 VanDerWaalsContact O-CB 3.26Å; D96-Y100 WeakPolarHBondContact O-CB 3.37Å; D96-Y100 PolarHBondContact O-N 2.9Å
97	D	80.5	Confident	86.3	Confident	117 Å²	117	44.7 Å²	44.7	63%	0.626	25%	0.249	S	C	*	.	H	α-helix	trans	-60.1	-37.2	-176.3	-64.9	-31	0	0	0	112.4	V101	D97-V101 WeakPolarHBondContact O-CG2 3.42Å; D97-V101 PolarHBondContact O-N 3.26Å; D97-V101 VanDerWaalsContact O-N 3.14Å
98	D	75.3	Confident	85.7	Confident	93 Å²	93	49.3 Å²	49.3	50%	0.497	28%	0.283	S	S	.	.	H	α-helix	trans	-66.6	-45.8	179.6	-69.6	-31.4	0	0	0	111.3	H62 D96 Y123	H62-D98 IonicContact CE1-OD2 3.96Å; H62-D98 PolarHBondContact CE1-OD2 3.28Å; H62-D98 VanDerWaalsContact CE1-OD2 3.29Å; H62-D98 IonicContact ND1-OD2 3.02Å; H62-D98 PolarHBondContact ND1-OD2 3.13Å; D96-D98 VanDerWaalsContact C-N 3.3Å; D96-D98 PolarHBondContact O-N 2.9Å; D96-D98 PolarHBondContact OD1-N 2.88Å; D98-Y123 PolarHBondContact O-OH 2.93Å
99	V	85.6	Confident	85.5	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-74.3	-32.4	178.9	177.9	0	0	0	0	111.3	F60 V95 D96 V102 L103 L119 Y123	F60-V99 HydrophobicContact CB-CG1 4.44Å; V95-V99 HydrophobicContact CB-CB 4.05Å; V95-V99 HydrophobicContact CB-CG1 3.89Å; V95-V99 HydrophobicContact CG1-CB 4.24Å; V95-V99 HydrophobicContact CG1-CG1 3.53Å; D96-V99 PolarHBondContact O-N 2.8Å; D96-V99 WeakPolarHBondContact OD1-CB 3.32Å; D96-V99 VanDerWaalsContact OD1-CG2 3.26Å; D96-V99 WeakPolarHBondContact OD1-CG2 3.48Å; D96-V99 PolarHBondContact OD1-N 3.38Å; V99-V102 PolarHBondContact O-N 2.94Å; V99-L103 PolarHBondContact O-N 2.97Å; V99-L119 HydrophobicContact CG1-CD2 3.4Å; V99-L119 VanDerWaalsContact CG1-CD2 3.4Å; V99-Y123 HydrophobicContact CB-CE2 4.31Å; V99-Y123 HydrophobicContact CG1-CE2 3.98Å; V99-Y123 HydrophobicContact CG2-CE1 4.38Å; V99-Y123 HydrophobicContact CG2-CE2 3.89Å
100	Y	89.3	Confident	85.5	Confident	117 Å²	117	52 Å²	52	46%	0.459	29%	0.293	S	S	.	.	H	α-helix	trans	-62.3	-41.5	174.5	-177.1	-88.2	0	0	0	112	V95 D96 V102 L103 A104	V95-Y100 HydrophobicContact CG2-CD2 4Å; V95-Y100 HydrophobicContact CG2-CG 4.45Å; D96-Y100 VanDerWaalsContact O-CB 3.26Å; D96-Y100 WeakPolarHBondContact O-CB 3.37Å; D96-Y100 PolarHBondContact O-N 2.9Å; Y100-V102 VanDerWaalsContact C-N 3.29Å; Y100-V102 PolarHBondContact O-N 2.86Å; Y100-L103 CarbonylContact O-C 3.44Å; Y100-L103 PolarHBondContact O-N 2.97Å; Y100-A104 PolarHBondContact O-N 3.43Å
101	V	84.4	Confident	85.7	Confident	94 Å²	94	54.2 Å²	54.2	57%	0.57	31%	0.306	S	S	*	.	H	α-helix	trans	-58	-42.9	175.7	167.1	0	0	0	0	111.1	D97 A104	D97-V101 WeakPolarHBondContact O-CG2 3.42Å; D97-V101 PolarHBondContact O-N 3.26Å; D97-V101 VanDerWaalsContact O-N 3.14Å; V101-A104 WeakPolarHBondContact O-CB 3.41Å; V101-A104 PolarHBondContact O-N 2.83Å
102	V	84.1	Confident	85.8	Confident	11 Å²	11	55.9 Å²	55.9	7%	0.067	31%	0.313	C	S	.	.	H	α-helix	trans	-64.8	-44.2	175.2	168.8	0	0	0	0	111.9	V99 Y100 A104 E105 R122 Y123	V99-V102 PolarHBondContact O-N 2.94Å; Y100-V102 VanDerWaalsContact C-N 3.29Å; Y100-V102 PolarHBondContact O-N 2.86Å; V102-A104 PolarHBondContact O-N 3.03Å; V102-E105 WeakPolarHBondContact O-CB 3.32Å; V102-E105 PolarHBondContact O-N 2.92Å; V102-R122 HydrophobicContact CG1-CB 4.06Å; V102-R122 VanDerWaalsContact CG1-CD 3.5Å; V102-R122 HydrophobicContact CG1-CG 3.73Å; V102-R122 HydrophobicContact CG2-CG 4.11Å; V102-Y123 HydrophobicContact CB-CE2 4.23Å; V102-Y123 HydrophobicContact CG1-CE2 4.12Å; V102-Y123 HydrophobicContact CG2-CE2 4.33Å; V102-Y123 VanDerWaalsContact CG2-OH 3.28Å; V102-Y123 WeakPolarHBondContact CG2-OH 3.27Å
103	L	89	Confident	85.8	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-65.9	-21.3	175	-70.4	-170.1	0	0	0	113.1	L91 R92 V95 V99 Y100 E105 L115 C118 L119	L91-L103 HydrophobicContact CG-CD1 4.31Å; R92-L103 HydrophobicContact CG-CD1 4.49Å; R92-L103 VanDerWaalsContact CZ-O 3.24Å; R92-L103 VanDerWaalsContact NH1-C 3.29Å; R92-L103 PolarHBondContact NH1-O 2.83Å; R92-L103 PolarHBondContact NH2-O 3.24Å; V95-L103 HydrophobicContact CG1-CD1 3.9Å; V95-L103 HydrophobicContact CG2-CD1 4.37Å; V99-L103 PolarHBondContact O-N 2.97Å; Y100-L103 CarbonylContact O-C 3.44Å; Y100-L103 PolarHBondContact O-N 2.97Å; L103-E105 VanDerWaalsContact C-N 3.31Å; L103-L115 HydrophobicContact CB-CD2 4.17Å; L103-L115 HydrophobicContact CD1-CD2 4.45Å; L103-L115 HydrophobicContact CD2-CB 4.19Å; L103-L115 HydrophobicContact CD2-CD2 3.82Å; L103-L115 HydrophobicContact CG-CD2 4.38Å; L103-C118 HydrophobicContact CD2-CB 4.19Å; L103-L119 HydrophobicContact CD2-CD1 4.43Å; L103-L119 HydrophobicContact CD2-CD2 3.89Å; L103-L119 HydrophobicContact CD2-CG 3.86Å; L103-L119 HydrophobicContact CG-CD2 4.18Å
104	A	85.5	Confident	86.1	Confident	49 Å²	49	61.1 Å²	61.1	41%	0.405	35%	0.345	S	S	.	.	H	α-helix	trans	-72.1	-25.2	175.6	0	0	0	0	0	112.6	Y100 V101 V102 E106 G107	Y100-A104 PolarHBondContact O-N 3.43Å; V101-A104 WeakPolarHBondContact O-CB 3.41Å; V101-A104 PolarHBondContact O-N 2.83Å; V102-A104 PolarHBondContact O-N 3.03Å; A104-E106 VanDerWaalsContact C-N 3.26Å; A104-E106 PolarHBondContact O-N 2.89Å; A104-G107 PolarHBondContact O-N 3.4Å; A104-G107 VanDerWaalsContact O-N 3.09Å
105	E	85.1	Confident	86.5	Confident	118 Å²	118	60.5 Å²	60.5	55%	0.551	34%	0.342	S	S	*	.	H	α-helix	trans	-62.4	-31.3	177	-60.7	177.5	151.5	0	0	112.1	V102 L103 G107 R122	V102-E105 WeakPolarHBondContact O-CB 3.32Å; V102-E105 PolarHBondContact O-N 2.92Å; L103-E105 VanDerWaalsContact C-N 3.31Å; E105-G107 VanDerWaalsContact C-N 3.26Å; E105-G107 PolarHBondContact O-N 3.43Å; E105-R122 IonicContact OE1-NH2 2.7Å; E105-R122 PolarHBondContact OE1-NH2 3.25Å; E105-R122 IonicContact OE2-CZ 3.68Å; E105-R122 IonicContact OE2-NE 3.86Å; E105-R122 IonicContact OE2-NH2 3.64Å; E105-R122 PolarHBondContact OE2-NH2 2.87Å
106	E	89.3	Confident	86.8	Confident	59 Å²	59	60.6 Å²	60.6	28%	0.276	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-7.2	176.3	-54.4	-67.9	160.2	0	0	113.6	A104 A110 L115 C118 R121	A104-E106 VanDerWaalsContact C-N 3.26Å; A104-E106 PolarHBondContact O-N 2.89Å; E106-A110 HydrophobicContact CB-CB 3.9Å; E106-L115 HydrophobicContact CB-CD2 4.38Å; E106-C118 HydrophobicContact CG-CB 3.7Å; E106-C118 VanDerWaalsContact OE1-CB 3.26Å; E106-C118 WeakPolarHBondContact OE1-CB 3.26Å; E106-C118 PolarHBondContact OE1-SG 2.77Å; E106-R121 IonicContact OE1-CZ 2.68Å; E106-R121 VanDerWaalsContact OE1-CZ 3.26Å; E106-R121 IonicContact OE1-NH1 2.72Å; E106-R121 PolarHBondContact OE1-NH1 3.26Å; E106-R121 IonicContact OE1-NH2 3.73Å; E106-R121 PolarHBondContact OE1-NH2 3.08Å
107	G	83.5	Confident	87	Confident	21 Å²	21	61.9 Å²	61.9	22%	0.216	35%	0.354	C	S	.	.			trans	81.7	161.9	177.1	0	0	0	0	0	116	R92 A104 E105 T109 A110	R92-G107 PolarHBondContact NH2-O 3.26Å; A104-G107 PolarHBondContact O-N 3.4Å; A104-G107 VanDerWaalsContact O-N 3.09Å; E105-G107 VanDerWaalsContact C-N 3.26Å; E105-G107 PolarHBondContact O-N 3.43Å; G107-T109 VanDerWaalsContact C-N 3.27Å; G107-T109 PolarHBondContact O-N 3.22Å; G107-A110 WeakPolarHBondContact O-CB 3.32Å; G107-A110 PolarHBondContact O-N 3.48Å
108	P	81.4	Confident	87.5	Confident	128 Å²	128	56.3 Å²	56.3	83%	0.831	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-19.3	-168.2	28.5	-36.1	0	0	0	114.4
109	T	85.6	Confident	88.1	Confident	131 Å²	131	51.9 Å²	51.9	80%	0.804	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-2.2	-179.2	47.5	0	0	0	0	114.1	G107 T111	G107-T109 VanDerWaalsContact C-N 3.27Å; G107-T109 PolarHBondContact O-N 3.22Å; T109-T111 PolarHBondContact O-N 2.91Å
110	A	88.4	Confident	88	Confident	8 Å²	8	57.8 Å²	57.8	7%	0.066	33%	0.326	C	S	.	.			trans	-58.5	129.1	-176.8	0	0	0	0	0	112.8	E106 G107 E114 L115	E106-A110 HydrophobicContact CB-CB 3.9Å; G107-A110 WeakPolarHBondContact O-CB 3.32Å; G107-A110 PolarHBondContact O-N 3.48Å; A110-E114 HydrophobicContact CB-CB 4.31Å; A110-L115 HydrophobicContact CB-CD2 3.85Å; A110-L115 HydrophobicContact CB-CG 3.99Å
111	T	92.4	Very high	87.8	Confident	72 Å²	72	58 Å²	58	44%	0.442	33%	0.326	S	S	.	.			trans	-68	165.2	176	65.1	0	0	0	0	112	T109 S113 E114 L115	T109-T111 PolarHBondContact O-N 2.91Å; T111-S113 PolarHBondContact O-N 2.91Å; T111-S113 PolarHBondContact OG1-N 3.42Å; T111-E114 VanDerWaalsContact CB-OE2 3.25Å; T111-E114 WeakPolarHBondContact CB-OE2 3.42Å; T111-E114 VanDerWaalsContact CG2-OE2 3.31Å; T111-E114 WeakPolarHBondContact CG2-OE2 3.33Å; T111-E114 PolarHBondContact N-OE2 2.98Å; T111-E114 PolarHBondContact O-N 2.78Å; T111-E114 PolarHBondContact OG1-N 3.27Å; T111-E114 PolarHBondContact OG1-OE2 2.83Å; T111-L115 VanDerWaalsContact O-CG 3.3Å; T111-L115 WeakPolarHBondContact O-CG 3.31Å; T111-L115 PolarHBondContact O-N 3.36Å
112	Y	93.4	Very high	87.6	Confident	35 Å²	35	56.4 Å²	56.4	14%	0.137	31%	0.31	C	S	.	.	H	α-helix	trans	-58.3	-32.8	172.3	-171.5	-109.5	0	0	0	112.3	L73 N74 L77 W87 L91 T116	L73-Y112 HydrophobicContact CD2-CE2 4.13Å; N74-Y112 WeakPolarHBondContact OD1-CE1 3.38Å; N74-Y112 PolarHBondContact OD1-OH 3.03Å; L77-Y112 HydrophobicContact CD1-CE2 4.27Å; W87-Y112 HydrophobicContact CB-CD2 3.79Å; W87-Y112 HydrophobicContact CB-CE2 4.32Å; W87-Y112 HydrophobicContact CB-CG 3.9Å; W87-Y112 AromaticContact CE3-CD1 3.63Å; W87-Y112 HydrophobicContact CE3-CD1 3.63Å; W87-Y112 AromaticContact CE3-CE1 3.64Å; W87-Y112 HydrophobicContact CE3-CE1 3.64Å; W87-Y112 HydrophobicContact CE3-CG 4.17Å; W87-Y112 HydrophobicContact CZ3-CD1 4.31Å; W87-Y112 HydrophobicContact CZ3-CE1 4.09Å; W87-Y112 WeakPolarHBondContact O-CD2 3.38Å; L91-Y112 HydrophobicContact CB-CD2 4.06Å; L91-Y112 HydrophobicContact CB-CE2 3.93Å; L91-Y112 HydrophobicContact CD2-CD2 3.86Å; L91-Y112 HydrophobicContact CD2-CE2 3.79Å; L91-Y112 HydrophobicContact CG-CE2 4.36Å; Y112-T116 HydrophobicContact CD1-CG2 4.06Å; Y112-T116 HydrophobicContact CD2-CG2 4.15Å; Y112-T116 HydrophobicContact CE1-CG2 3.8Å; Y112-T116 HydrophobicContact CE2-CG2 3.88Å; Y112-T116 HydrophobicContact CG-CG2 4.25Å; Y112-T116 WeakPolarHBondContact O-CB 3.49Å; Y112-T116 VanDerWaalsContact O-CG2 3.24Å; Y112-T116 WeakPolarHBondContact O-CG2 3.45Å; Y112-T116 PolarHBondContact O-N 2.9Å; Y112-T116 PolarHBondContact O-OG1 2.92Å
113	S	90.2	Very high	87.3	Confident	79 Å²	79	57.4 Å²	57.4	55%	0.552	31%	0.313	S	S	*	.	H	α-helix	trans	-64.4	-46.2	176.4	-169.4	0	0	0	0	112.2	T111 T116 S117	T111-S113 PolarHBondContact O-N 2.91Å; T111-S113 PolarHBondContact OG1-N 3.42Å; S113-T116 PolarHBondContact O-OG1 2.79Å; S113-S117 VanDerWaalsContact O-CB 3.27Å; S113-S117 WeakPolarHBondContact O-CB 3.47Å; S113-S117 PolarHBondContact O-N 2.94Å; S113-S117 PolarHBondContact O-OG 3.41Å
114	E	91.9	Very high	86.4	Confident	95 Å²	95	57.5 Å²	57.5	44%	0.444	31%	0.314	S	S	.	.	H	α-helix	trans	-67.1	-45.7	178.8	-70.1	154.7	130.8	0	0	111.2	A110 T111 T116 S117 C118	A110-E114 HydrophobicContact CB-CB 4.31Å; T111-E114 VanDerWaalsContact CB-OE2 3.25Å; T111-E114 WeakPolarHBondContact CB-OE2 3.42Å; T111-E114 VanDerWaalsContact CG2-OE2 3.31Å; T111-E114 WeakPolarHBondContact CG2-OE2 3.33Å; T111-E114 PolarHBondContact N-OE2 2.98Å; T111-E114 PolarHBondContact O-N 2.78Å; T111-E114 PolarHBondContact OG1-N 3.27Å; T111-E114 PolarHBondContact OG1-OE2 2.83Å; E114-T116 PolarHBondContact O-N 2.81Å; E114-S117 WeakPolarHBondContact O-CB 3.3Å; E114-S117 PolarHBondContact O-N 2.84Å; E114-C118 WeakPolarHBondContact O-CB 3.36Å; E114-C118 PolarHBondContact O-N 3.02Å
115	L	93.2	Very high	85.3	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-63.2	-43	178.2	-64	171.8	0	0	0	112.7	A88 L91 R92 L103 E106 A110 T111 S117 C118 L119	A88-L115 HydrophobicContact CB-CD1 3.77Å; L91-L115 HydrophobicContact CD2-CB 3.56Å; L91-L115 HydrophobicContact CD2-CD1 4.43Å; R92-L115 HydrophobicContact CG-CD1 4.09Å; L103-L115 HydrophobicContact CB-CD2 4.17Å; L103-L115 HydrophobicContact CD1-CD2 4.45Å; L103-L115 HydrophobicContact CD2-CB 4.19Å; L103-L115 HydrophobicContact CD2-CD2 3.82Å; L103-L115 HydrophobicContact CG-CD2 4.38Å; E106-L115 HydrophobicContact CB-CD2 4.38Å; A110-L115 HydrophobicContact CB-CD2 3.85Å; A110-L115 HydrophobicContact CB-CG 3.99Å; T111-L115 VanDerWaalsContact O-CG 3.3Å; T111-L115 WeakPolarHBondContact O-CG 3.31Å; T111-L115 PolarHBondContact O-N 3.36Å; L115-S117 VanDerWaalsContact C-N 3.32Å; L115-S117 PolarHBondContact O-N 2.88Å; L115-C118 WeakPolarHBondContact O-CB 3.24Å; L115-C118 PolarHBondContact O-N 2.89Å; L115-L119 WeakPolarHBondContact O-CG 3.4Å; L115-L119 PolarHBondContact O-N 2.92Å; L115-L119 VanDerWaalsContact O-N 3.09Å
116	T	90.7	Very high	84.3	Confident	14 Å²	14	55 Å²	55	9%	0.086	31%	0.31	C	S	.	.	H	α-helix	trans	-69.8	-30.5	176.4	56.1	0	0	0	0	112.5	L70 L91 Y112 S113 E114 K120	L70-T116 HydrophobicContact CD1-CG2 3.96Å; L70-T116 HydrophobicContact CD2-CG2 3.57Å; L70-T116 HydrophobicContact CG-CG2 4.41Å; L91-T116 HydrophobicContact CD2-CG2 3.71Å; Y112-T116 HydrophobicContact CD1-CG2 4.06Å; Y112-T116 HydrophobicContact CD2-CG2 4.15Å; Y112-T116 HydrophobicContact CE1-CG2 3.8Å; Y112-T116 HydrophobicContact CE2-CG2 3.88Å; Y112-T116 HydrophobicContact CG-CG2 4.25Å; Y112-T116 WeakPolarHBondContact O-CB 3.49Å; Y112-T116 VanDerWaalsContact O-CG2 3.24Å; Y112-T116 WeakPolarHBondContact O-CG2 3.45Å; Y112-T116 PolarHBondContact O-N 2.9Å; Y112-T116 PolarHBondContact O-OG1 2.92Å; S113-T116 PolarHBondContact O-OG1 2.79Å; E114-T116 PolarHBondContact O-N 2.81Å; T116-K120 VanDerWaalsContact O-CG 3.28Å; T116-K120 WeakPolarHBondContact O-CG 3.4Å; T116-K120 PolarHBondContact O-N 3.33Å; T116-K120 VanDerWaalsContact O-N 3.16Å
117	S	88.5	Confident	83.2	Confident	59 Å²	59	56 Å²	56	41%	0.413	32%	0.318	S	S	.	.	H	α-helix	trans	-68.8	-40.8	171.9	-60.9	0	0	0	0	112	S113 E114 L115 K120 R121	S113-S117 VanDerWaalsContact O-CB 3.27Å; S113-S117 WeakPolarHBondContact O-CB 3.47Å; S113-S117 PolarHBondContact O-N 2.94Å; S113-S117 PolarHBondContact O-OG 3.41Å; E114-S117 WeakPolarHBondContact O-CB 3.3Å; E114-S117 PolarHBondContact O-N 2.84Å; L115-S117 VanDerWaalsContact C-N 3.32Å; L115-S117 PolarHBondContact O-N 2.88Å; S117-K120 PolarHBondContact O-N 2.85Å; S117-R121 WeakPolarHBondContact O-CB 3.43Å; S117-R121 PolarHBondContact O-N 3.33Å
118	C	89.7	Confident	82.7	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-58	-48.5	173.4	-175.8	0	0	0	0	112	L103 E106 E114 L115 K120 R121 R122	L103-C118 HydrophobicContact CD2-CB 4.19Å; E106-C118 HydrophobicContact CG-CB 3.7Å; E106-C118 VanDerWaalsContact OE1-CB 3.26Å; E106-C118 WeakPolarHBondContact OE1-CB 3.26Å; E106-C118 PolarHBondContact OE1-SG 2.77Å; E114-C118 WeakPolarHBondContact O-CB 3.36Å; E114-C118 PolarHBondContact O-N 3.02Å; L115-C118 WeakPolarHBondContact O-CB 3.24Å; L115-C118 PolarHBondContact O-N 2.89Å; C118-K120 PolarHBondContact O-N 2.74Å; C118-R121 WeakPolarHBondContact O-CB 3.47Å; C118-R121 PolarHBondContact O-N 2.98Å; C118-R121 PolarHBondContact SG-NH2 3.48Å; C118-R122 PolarHBondContact O-N 3.01Å
119	L	88	Confident	82.3	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-61.6	-42.5	177.6	-66.7	172.3	0	0	0	112.4	F60 V66 L70 L91 V99 L103 L115 R121 Y123 G124	F60-L119 HydrophobicContact CD2-CD1 4.39Å; F60-L119 HydrophobicContact CE1-CD1 4.38Å; F60-L119 HydrophobicContact CE2-CD1 3.93Å; F60-L119 HydrophobicContact CZ-CD1 3.91Å; V66-L119 HydrophobicContact CG1-CB 3.99Å; L70-L119 HydrophobicContact CD2-CD1 4.34Å; L91-L119 HydrophobicContact CD1-CD1 3.8Å; L91-L119 HydrophobicContact CD2-CD1 4.14Å; L91-L119 HydrophobicContact CG-CD1 4.31Å; V99-L119 HydrophobicContact CG1-CD2 3.4Å; V99-L119 VanDerWaalsContact CG1-CD2 3.4Å; L103-L119 HydrophobicContact CD2-CD1 4.43Å; L103-L119 HydrophobicContact CD2-CD2 3.89Å; L103-L119 HydrophobicContact CD2-CG 3.86Å; L103-L119 HydrophobicContact CG-CD2 4.18Å; L115-L119 WeakPolarHBondContact O-CG 3.4Å; L115-L119 PolarHBondContact O-N 2.92Å; L115-L119 VanDerWaalsContact O-N 3.09Å; L119-R121 VanDerWaalsContact C-N 3.34Å; L119-R121 PolarHBondContact O-N 3.17Å; L119-Y123 HydrophobicContact CD2-CD2 3.96Å; L119-Y123 HydrophobicContact CD2-CE2 4.17Å; L119-Y123 PolarHBondContact O-N 3.39Å; L119-G124 PolarHBondContact O-N 3.48Å
120	K	84	Confident	81.5	Confident	123 Å²	123	50 Å²	50	54%	0.535	27%	0.266	S	S	.	.	H	α-helix	trans	-61.7	-41.4	175	-72.4	169.1	-178	175.5	0	111.6	V66 L70 T116 S117 C118 G124	V66-K120 HydrophobicContact CG1-CG 4.03Å; L70-K120 HydrophobicContact CD1-CG 4.48Å; T116-K120 VanDerWaalsContact O-CG 3.28Å; T116-K120 WeakPolarHBondContact O-CG 3.4Å; T116-K120 PolarHBondContact O-N 3.33Å; T116-K120 VanDerWaalsContact O-N 3.16Å; S117-K120 PolarHBondContact O-N 2.85Å; C118-K120 PolarHBondContact O-N 2.74Å; K120-G124 VanDerWaalsContact O-CA 3.27Å; K120-G124 WeakPolarHBondContact O-CA 3.37Å; K120-G124 PolarHBondContact O-N 2.63Å
121	R	84.4	Confident	80.6	Confident	122 Å²	122	52.2 Å²	52.2	46%	0.46	28%	0.276	S	S	.	.	H	α-helix	trans	-64.4	-46.3	178	-171.6	-179.6	73.7	-129.7	-0.4	112.8	E106 S117 C118 L119 S128	E106-R121 IonicContact OE1-CZ 2.68Å; E106-R121 VanDerWaalsContact OE1-CZ 3.26Å; E106-R121 IonicContact OE1-NH1 2.72Å; E106-R121 PolarHBondContact OE1-NH1 3.26Å; E106-R121 IonicContact OE1-NH2 3.73Å; E106-R121 PolarHBondContact OE1-NH2 3.08Å; S117-R121 WeakPolarHBondContact O-CB 3.43Å; S117-R121 PolarHBondContact O-N 3.33Å; C118-R121 WeakPolarHBondContact O-CB 3.47Å; C118-R121 PolarHBondContact O-N 2.98Å; C118-R121 PolarHBondContact SG-NH2 3.48Å; L119-R121 VanDerWaalsContact C-N 3.34Å; L119-R121 PolarHBondContact O-N 3.17Å; R121-S128 WeakPolarHBondContact O-CA 3.35Å; R121-S128 VanDerWaalsContact O-CB 3.32Å; R121-S128 WeakPolarHBondContact O-CB 3.33Å
122	R	81.3	Confident	79.8	Confident	61 Å²	61	49.1 Å²	49.1	23%	0.23	26%	0.257	C	S	.	.	H	α-helix	trans	-81.6	-44.1	-173.8	-148.8	97.5	165.3	134.6	-24.6	113.5	V102 E105 C118 E129 L130	V102-R122 HydrophobicContact CG1-CB 4.06Å; V102-R122 VanDerWaalsContact CG1-CD 3.5Å; V102-R122 HydrophobicContact CG1-CG 3.73Å; V102-R122 HydrophobicContact CG2-CG 4.11Å; E105-R122 IonicContact OE1-NH2 2.7Å; E105-R122 PolarHBondContact OE1-NH2 3.25Å; E105-R122 IonicContact OE2-CZ 3.68Å; E105-R122 IonicContact OE2-NE 3.86Å; E105-R122 IonicContact OE2-NH2 3.64Å; E105-R122 PolarHBondContact OE2-NH2 2.87Å; C118-R122 PolarHBondContact O-N 3.01Å; R122-E129 VanDerWaalsContact CD-OE2 3.31Å; R122-E129 WeakPolarHBondContact CD-OE2 3.46Å; R122-E129 IonicContact CZ-OE2 3.23Å; R122-E129 IonicContact NE-OE2 2.67Å; R122-E129 IonicContact NH1-OE1 3.95Å; R122-E129 PolarHBondContact NH1-OE1 3.34Å; R122-E129 IonicContact NH1-OE2 3.25Å; R122-E129 PolarHBondContact NH1-OE2 3.43Å; R122-L130 WeakPolarHBondContact O-CB 3.45Å; R122-L130 PolarHBondContact O-N 3.08Å
123	Y	78.5	Confident	79.2	Confident	31 Å²	31	53 Å²	53	12%	0.122	27%	0.271	C	S	.	.	H	α-helix	trans	-124	-2.7	-166.4	-56.4	-72.9	0	0	0	114.2	H62 V66 D98 V99 V102 L119 L130	H62-Y123 HydrophobicContact CB-CD1 4.17Å; H62-Y123 HydrophobicContact CB-CE1 3.64Å; V66-Y123 VanDerWaalsContact CG2-CB 3.5Å; V66-Y123 WeakPolarHBondContact CG2-O 3.4Å; D98-Y123 PolarHBondContact O-OH 2.93Å; V99-Y123 HydrophobicContact CB-CE2 4.31Å; V99-Y123 HydrophobicContact CG1-CE2 3.98Å; V99-Y123 HydrophobicContact CG2-CE1 4.38Å; V99-Y123 HydrophobicContact CG2-CE2 3.89Å; V102-Y123 HydrophobicContact CB-CE2 4.23Å; V102-Y123 HydrophobicContact CG1-CE2 4.12Å; V102-Y123 HydrophobicContact CG2-CE2 4.33Å; V102-Y123 VanDerWaalsContact CG2-OH 3.28Å; V102-Y123 WeakPolarHBondContact CG2-OH 3.27Å; L119-Y123 HydrophobicContact CD2-CD2 3.96Å; L119-Y123 HydrophobicContact CD2-CE2 4.17Å; L119-Y123 PolarHBondContact O-N 3.39Å; Y123-L130 HydrophobicContact CD1-CD2 4.25Å
124	G	69.3	Low	78.3	Confident	3 Å²	3	50.7 Å²	50.7	3%	0.031	25%	0.254	C	S	.	.	S	Bend	trans	-66.6	163.5	-176.6	0	0	0	0	0	113.9	L119 K120 S128	L119-G124 PolarHBondContact O-N 3.48Å; K120-G124 VanDerWaalsContact O-CA 3.27Å; K120-G124 WeakPolarHBondContact O-CA 3.37Å; K120-G124 PolarHBondContact O-N 2.63Å; G124-S128 WeakPolarHBondContact O-CB 3.25Å; G124-S128 PolarHBondContact O-OG 2.86Å
125	P	62.8	Low	77.9	Confident	78 Å²	78	46.8 Å²	46.8	51%	0.506	24%	0.235	S	C	.	.	S	Bend	trans	-62.2	158.8	170.6	28.4	-34.7	0	0	0	111.5
126	G	64.6	Low	77.7	Confident	35 Å²	35	47.1 Å²	47.1	36%	0.361	24%	0.237	S	C	.	.	S	Bend	trans	86.6	-135.1	-178.9	0	0	0	0	0	113.6	S128 M131 R135	G126-S128 VanDerWaalsContact C-N 3.31Å; G126-S128 PolarHBondContact O-N 3.41Å; G126-M131 WeakPolarHBondContact O-CB 3.1Å; G126-M131 WeakPolarHBondContact O-CG 3.39Å; G126-R135 PolarHBondContact O-NH2 3.41Å
127	D	64.7	Low	77.2	Confident	82 Å²	82	48.1 Å²	48.1	44%	0.439	25%	0.246	S	C	.	.	S	Bend	trans	-88.3	24.5	-168.5	-90.9	18.9	0	0	0	115.3	R135 R160	D127-R135 IonicContact OD1-CZ 3.02Å; D127-R135 IonicContact OD1-NH1 3.81Å; D127-R135 PolarHBondContact OD1-NH1 3.36Å; D127-R135 IonicContact OD1-NH2 3.81Å; D127-R135 PolarHBondContact OD1-NH2 3.16Å; D127-R135 IonicContact OD2-NH1 2.77Å; D127-R160 IonicContact OD1-NH2 2.76Å; D127-R160 IonicContact OD2-CZ 3.05Å; D127-R160 VanDerWaalsContact OD2-CZ 3.3Å; D127-R160 IonicContact OD2-NH1 3.16Å; D127-R160 PolarHBondContact OD2-NH1 3.18Å; D127-R160 IonicContact OD2-NH2 2.69Å; D127-R160 PolarHBondContact OD2-NH2 3.21Å
128	S	73.5	Confident	77	Confident	9 Å²	9	48.6 Å²	48.6	6%	0.063	24%	0.242	C	C	.	.			trans	-62.1	158.5	174	65.5	0	0	0	0	113.5	R121 G124 G126 L130 M131 V132	R121-S128 WeakPolarHBondContact O-CA 3.35Å; R121-S128 VanDerWaalsContact O-CB 3.32Å; R121-S128 WeakPolarHBondContact O-CB 3.33Å; G124-S128 WeakPolarHBondContact O-CB 3.25Å; G124-S128 PolarHBondContact O-OG 2.86Å; G126-S128 VanDerWaalsContact C-N 3.31Å; G126-S128 PolarHBondContact O-N 3.41Å; S128-L130 VanDerWaalsContact C-N 3.35Å; S128-L130 PolarHBondContact O-N 3.49Å; S128-M131 PolarHBondContact O-N 3.02Å; S128-M131 VanDerWaalsContact O-N 3.1Å; S128-M131 WeakPolarHBondContact OG-CG 3.24Å; S128-V132 WeakPolarHBondContact O-CB 3.06Å; S128-V132 WeakPolarHBondContact O-CG2 3.27Å; S128-V132 PolarHBondContact O-N 3.07Å
129	E	72.4	Confident	77	Confident	92 Å²	92	49.5 Å²	49.5	43%	0.43	25%	0.245	S	C	.	.	H	α-helix	trans	-60	-40.7	-175.5	-67.5	173.8	101	0	0	112.9	R122 V132 W133	R122-E129 VanDerWaalsContact CD-OE2 3.31Å; R122-E129 WeakPolarHBondContact CD-OE2 3.46Å; R122-E129 IonicContact CZ-OE2 3.23Å; R122-E129 IonicContact NE-OE2 2.67Å; R122-E129 IonicContact NH1-OE1 3.95Å; R122-E129 PolarHBondContact NH1-OE1 3.34Å; R122-E129 IonicContact NH1-OE2 3.25Å; R122-E129 PolarHBondContact NH1-OE2 3.43Å; E129-V132 PolarHBondContact O-N 3.4Å; E129-W133 WeakPolarHBondContact O-CB 3.5Å; E129-W133 PolarHBondContact O-N 3.01Å
130	L	69	Low	77.3	Confident	53 Å²	53	55 Å²	55	28%	0.277	27%	0.266	S	S	.	.	H	α-helix	trans	-60.8	-47.1	174.3	-172.2	79.1	0	0	0	111.1	H62 R122 Y123 S128 V132 W133 T134	H62-L130 VanDerWaalsContact O-CD2 3.32Å; H62-L130 WeakPolarHBondContact O-CD2 3.46Å; R122-L130 WeakPolarHBondContact O-CB 3.45Å; R122-L130 PolarHBondContact O-N 3.08Å; Y123-L130 HydrophobicContact CD1-CD2 4.25Å; S128-L130 VanDerWaalsContact C-N 3.35Å; S128-L130 PolarHBondContact O-N 3.49Å; L130-V132 VanDerWaalsContact C-N 3.32Å; L130-V132 PolarHBondContact O-N 3.43Å; L130-W133 HydrophobicContact CD1-CE3 4.46Å; L130-W133 PolarHBondContact O-N 3.09Å; L130-T134 WeakPolarHBondContact O-CB 3.35Å; L130-T134 PolarHBondContact O-N 3.18Å; L130-T134 PolarHBondContact O-OG1 2.66Å
131	M	70.5	Confident	77.7	Confident	54 Å²	54	50.3 Å²	50.3	27%	0.266	25%	0.246	S	C	.	.	H	α-helix	trans	-65.5	-37.2	-179.7	-68.3	-72.3	-91.3	0	0	111.6	G126 S128 T134 R135 P372	G126-M131 WeakPolarHBondContact O-CB 3.1Å; G126-M131 WeakPolarHBondContact O-CG 3.39Å; S128-M131 PolarHBondContact O-N 3.02Å; S128-M131 VanDerWaalsContact O-N 3.1Å; S128-M131 WeakPolarHBondContact OG-CG 3.24Å; M131-T134 PolarHBondContact O-N 3.39Å; M131-R135 VanDerWaalsContact O-CD 3.27Å; M131-R135 WeakPolarHBondContact O-CD 3.26Å; M131-R135 VanDerWaalsContact O-CG 3.22Å; M131-R135 WeakPolarHBondContact O-CG 3.44Å; M131-R135 PolarHBondContact O-N 3.22Å; M131-R135 VanDerWaalsContact O-N 3.07Å; M131-R135 PolarHBondContact O-NE 2.89Å; M131-P372 HydrophobicContact CB-CG 4.3Å; M131-P372 HydrophobicContact CE-CG 3.78Å; M131-P372 HydrophobicContact SD-CG 3.72Å
132	V	76	Confident	78	Confident	6 Å²	6	49.3 Å²	49.3	4%	0.036	24%	0.242	C	C	.	.	H	α-helix	trans	-64.2	-43.3	174.8	167.5	0	0	0	0	111.2	S128 E129 L130 F136 R160 A161	S128-V132 WeakPolarHBondContact O-CB 3.06Å; S128-V132 WeakPolarHBondContact O-CG2 3.27Å; S128-V132 PolarHBondContact O-N 3.07Å; E129-V132 PolarHBondContact O-N 3.4Å; L130-V132 VanDerWaalsContact C-N 3.32Å; L130-V132 PolarHBondContact O-N 3.43Å; V132-F136 PolarHBondContact O-N 2.97Å; V132-R160 VanDerWaalsContact CG1-C 3.42Å; V132-R160 HydrophobicContact CG1-CB 3.6Å; V132-R160 WeakPolarHBondContact CG1-O 3.45Å; V132-A161 HydrophobicContact CG1-CB 3.86Å
133	W	79.1	Confident	77.8	Confident	117 Å²	117	51.9 Å²	51.9	44%	0.443	27%	0.267	S	S	.	.	H	α-helix	trans	-64.9	-41	172.4	179.1	76.4	0	0	0	113	E129 L130 R135 F136 A137	E129-W133 WeakPolarHBondContact O-CB 3.5Å; E129-W133 PolarHBondContact O-N 3.01Å; L130-W133 HydrophobicContact CD1-CE3 4.46Å; L130-W133 PolarHBondContact O-N 3.09Å; W133-R135 PolarHBondContact O-N 3.04Å; W133-F136 WeakPolarHBondContact O-CB 3.5Å; W133-F136 PolarHBondContact O-N 2.91Å; W133-A137 WeakPolarHBondContact O-CB 3.37Å; W133-A137 PolarHBondContact O-N 2.89Å
134	T	73.1	Confident	77.9	Confident	31 Å²	31	56.7 Å²	56.7	19%	0.19	30%	0.3	C	S	.	.	H	α-helix	trans	-63.4	-41.1	179	-60.3	0	0	0	0	112.1	L130 M131 F136 A137 Q138 P372	L130-T134 WeakPolarHBondContact O-CB 3.35Å; L130-T134 PolarHBondContact O-N 3.18Å; L130-T134 PolarHBondContact O-OG1 2.66Å; M131-T134 PolarHBondContact O-N 3.39Å; T134-F136 VanDerWaalsContact C-N 3.34Å; T134-F136 PolarHBondContact O-N 2.77Å; T134-A137 PolarHBondContact O-N 3.22Å; T134-Q138 HydrophobicContact CG2-CG 4.16Å; T134-Q138 WeakPolarHBondContact O-CB 3.35Å; T134-Q138 WeakPolarHBondContact O-CG 3.39Å; T134-Q138 PolarHBondContact O-N 2.88Å; T134-P372 HydrophobicContact CG2-CB 4.17Å; T134-P372 HydrophobicContact CG2-CG 4.27Å
135	R	81.9	Confident	78.7	Confident	13 Å²	13	57.6 Å²	57.6	5%	0.049	30%	0.303	C	S	.	.	H	α-helix	trans	-57.5	-48	173	-62.5	148.5	-152.6	-149.9	2.2	111.2	G126 D127 M131 W133 Q138 R139 L157 N370 P372	G126-R135 PolarHBondContact O-NH2 3.41Å; D127-R135 IonicContact OD1-CZ 3.02Å; D127-R135 IonicContact OD1-NH1 3.81Å; D127-R135 PolarHBondContact OD1-NH1 3.36Å; D127-R135 IonicContact OD1-NH2 3.81Å; D127-R135 PolarHBondContact OD1-NH2 3.16Å; D127-R135 IonicContact OD2-NH1 2.77Å; M131-R135 VanDerWaalsContact O-CD 3.27Å; M131-R135 WeakPolarHBondContact O-CD 3.26Å; M131-R135 VanDerWaalsContact O-CG 3.22Å; M131-R135 WeakPolarHBondContact O-CG 3.44Å; M131-R135 PolarHBondContact O-N 3.22Å; M131-R135 VanDerWaalsContact O-N 3.07Å; M131-R135 PolarHBondContact O-NE 2.89Å; W133-R135 PolarHBondContact O-N 3.04Å; R135-Q138 PolarHBondContact O-N 3.14Å; R135-R139 PolarHBondContact O-N 3.3Å; R135-R139 VanDerWaalsContact O-N 3.14Å; R135-L157 HydrophobicContact CB-CD1 4.25Å; R135-L157 HydrophobicContact CB-CD2 3.64Å; R135-L157 HydrophobicContact CG-CD2 4.43Å; R135-N370 WeakPolarHBondContact CD-O 3.31Å; R135-N370 PolarHBondContact NE-O 3.28Å; R135-N370 VanDerWaalsContact NH1-C 3.31Å; R135-N370 PolarHBondContact NH1-O 3.16Å; R135-P372 HydrophobicContact CG-CB 4.28Å; R135-P372 HydrophobicContact CG-CG 3.93Å
136	F	89	Confident	80	Confident	7 Å²	7	55.8 Å²	55.8	3%	0.031	29%	0.292	C	S	.	.	H	α-helix	trans	-57.3	-52.9	177.1	175.9	-93.5	0	0	0	110.3	V132 W133 T134 Q138 R139 L154 L157 A161 R163 D167 L168 Q171	V132-F136 PolarHBondContact O-N 2.97Å; W133-F136 WeakPolarHBondContact O-CB 3.5Å; W133-F136 PolarHBondContact O-N 2.91Å; T134-F136 VanDerWaalsContact C-N 3.34Å; T134-F136 PolarHBondContact O-N 2.77Å; F136-Q138 VanDerWaalsContact C-N 3.35Å; F136-Q138 PolarHBondContact O-N 2.99Å; F136-R139 WeakPolarHBondContact O-CB 3.43Å; F136-R139 PolarHBondContact O-N 2.64Å; F136-L154 HydrophobicContact CD2-CD2 4.19Å; F136-L154 HydrophobicContact CE2-CD2 3.94Å; F136-L157 HydrophobicContact CB-CB 4.19Å; F136-L157 HydrophobicContact CD2-CB 4.14Å; F136-A161 HydrophobicContact CB-CB 4.16Å; F136-R163 HydrophobicContact CD1-CG 3.86Å; F136-R163 HydrophobicContact CD2-CG 4.14Å; F136-R163 HydrophobicContact CE1-CB 4.36Å; F136-R163 HydrophobicContact CE1-CG 3.81Å; F136-R163 HydrophobicContact CE2-CB 4.23Å; F136-R163 HydrophobicContact CE2-CG 4.08Å; F136-R163 HydrophobicContact CG-CG 4.04Å; F136-R163 HydrophobicContact CZ-CB 4.05Å; F136-R163 HydrophobicContact CZ-CG 3.92Å; F136-D167 HydrophobicContact CE1-CB 4.19Å; F136-D167 HydrophobicContact CZ-CB 3.9Å; F136-L168 HydrophobicContact CE2-CD2 4.04Å; F136-L168 HydrophobicContact CE2-CG 4.41Å; F136-Q171 HydrophobicContact CE1-CB 4.17Å; F136-Q171 HydrophobicContact CE1-CG 4.18Å; F136-Q171 HydrophobicContact CE2-CB 4.47Å; F136-Q171 HydrophobicContact CE2-CG 4.44Å; F136-Q171 HydrophobicContact CZ-CB 3.82Å; F136-Q171 HydrophobicContact CZ-CG 4.06Å; F136-Q171 PolarHBondContact O-NE2 2.79Å
137	A	81.4	Confident	81.3	Confident	35 Å²	35	54.3 Å²	54.3	29%	0.289	28%	0.276	S	S	.	.	H	α-helix	trans	-65.5	-29.7	-177	0	0	0	0	0	114.4	W133 T134 Q171	W133-A137 WeakPolarHBondContact O-CB 3.37Å; W133-A137 PolarHBondContact O-N 2.89Å; T134-A137 PolarHBondContact O-N 3.22Å; A137-Q171 PolarHBondContact O-NE2 2.98Å
138	Q	82.9	Confident	82.5	Confident	69 Å²	69	54.5 Å²	54.5	32%	0.322	27%	0.274	S	S	.	.	H	α-helix	trans	-84.9	-12.1	175.8	-70.4	-179.3	-7.2	0	0	114	T134 R135 F136 R140	T134-Q138 HydrophobicContact CG2-CG 4.16Å; T134-Q138 WeakPolarHBondContact O-CB 3.35Å; T134-Q138 WeakPolarHBondContact O-CG 3.39Å; T134-Q138 PolarHBondContact O-N 2.88Å; R135-Q138 PolarHBondContact O-N 3.14Å; F136-Q138 VanDerWaalsContact C-N 3.35Å; F136-Q138 PolarHBondContact O-N 2.99Å; Q138-R140 PolarHBondContact O-N 3.02Å
139	R	91.5	Very high	83.4	Confident	18 Å²	18	59.2 Å²	59.2	7%	0.068	30%	0.295	C	S	.	.			trans	-66.1	123.6	-170.4	-165.8	52.2	161.2	99.2	-2.5	113.1	R135 F136 R142 E145 F150 D153 L154 L157 Q171	R135-R139 PolarHBondContact O-N 3.3Å; R135-R139 VanDerWaalsContact O-N 3.14Å; F136-R139 WeakPolarHBondContact O-CB 3.43Å; F136-R139 PolarHBondContact O-N 2.64Å; R139-R142 VanDerWaalsContact NH2-NH2 3.11Å; R139-E145 IonicContact CZ-OE1 3.19Å; R139-E145 VanDerWaalsContact CZ-OE1 3.26Å; R139-E145 IonicContact CZ-OE2 3.85Å; R139-E145 VanDerWaalsContact NH1-CD 3.31Å; R139-E145 IonicContact NH1-OE1 2.74Å; R139-E145 PolarHBondContact NH1-OE1 3.27Å; R139-E145 IonicContact NH1-OE2 2.73Å; R139-E145 PolarHBondContact NH1-OE2 3.17Å; R139-E145 IonicContact NH2-OE1 3.29Å; R139-E145 PolarHBondContact NH2-OE1 2.95Å; R139-E145 IonicContact NH2-OE2 3.52Å; R139-F150 HydrophobicContact CG-CD2 4.45Å; R139-F150 HydrophobicContact CG-CE2 4.17Å; R139-D153 IonicContact CZ-OD2 3.13Å; R139-D153 IonicContact NE-OD2 3.75Å; R139-D153 PolarHBondContact NE-OD2 2.96Å; R139-D153 IonicContact NH2-OD2 2.65Å; R139-D153 PolarHBondContact NH2-OD2 3.37Å; R139-L154 HydrophobicContact CB-CD2 4.19Å; R139-L154 HydrophobicContact CG-CD2 4.25Å; R139-L154 HydrophobicContact CG-CG 4.3Å; R139-L157 HydrophobicContact CB-CD1 4.18Å; R139-L157 HydrophobicContact CG-CD1 4.08Å; R139-Q171 PolarHBondContact O-NE2 3.02Å
140	R	92.7	Very high	84.5	Confident	117 Å²	117	54.9 Å²	54.9	44%	0.442	28%	0.275	S	S	.	.			trans	-130.6	156.1	172.6	-59.6	-67	174.8	-100.8	7.9	108.7	Q138 G174 G175	Q138-R140 PolarHBondContact O-N 3.02Å; R140-G174 WeakPolarHBondContact CD-O 2.95Å; R140-G174 PolarHBondContact NE-O 2.86Å; R140-G175 VanDerWaalsContact CD-CA 3.46Å
141	Q	93.9	Very high	85.7	Confident	23 Å²	23	52.4 Å²	52.4	11%	0.107	26%	0.262	C	S	.	.			trans	-64.5	134.8	173.4	-176.6	-176.8	7.2	0	0	109.9	E145 F150 G175 L177	Q141-E145 WeakPolarHBondContact CA-OE2 3.37Å; Q141-E145 PolarHBondContact NE2-O 3.43Å; Q141-F150 HydrophobicContact CB-CB 4.23Å; Q141-F150 HydrophobicContact CB-CD1 3.87Å; Q141-F150 HydrophobicContact CB-CD2 4.07Å; Q141-F150 HydrophobicContact CB-CE1 4.26Å; Q141-F150 HydrophobicContact CB-CE2 4.45Å; Q141-F150 HydrophobicContact CB-CG 3.78Å; Q141-F150 HydrophobicContact CG-CB 4.15Å; Q141-F150 HydrophobicContact CG-CD1 4.41Å; Q141-F150 HydrophobicContact CG-CG 4.24Å; Q141-G175 VanDerWaalsContact CB-O 3.29Å; Q141-G175 WeakPolarHBondContact CB-O 3.17Å; Q141-G175 PolarHBondContact N-O 3.46Å; Q141-L177 HydrophobicContact CB-CB 4.04Å; Q141-L177 HydrophobicContact CG-CB 4.09Å
142	R	89.1	Confident	86.7	Confident	101 Å²	101	53.7 Å²	53.7	38%	0.381	27%	0.27	S	S	.	.			trans	-86.7	154.3	178.5	-51.3	170.7	-150.9	-158.5	4.1	110.2	R139 T144 E145 D153	R139-R142 VanDerWaalsContact NH2-NH2 3.11Å; R142-T144 PolarHBondContact O-N 2.91Å; R142-E145 HydrophobicContact CB-CB 3.85Å; R142-E145 WeakPolarHBondContact CG-OE2 3.48Å; R142-E145 PolarHBondContact N-OE2 3.09Å; R142-E145 IonicContact NE-OE2 3.98Å; R142-E145 WeakPolarHBondContact O-CB 3.42Å; R142-E145 PolarHBondContact O-N 3.27Å; R142-E145 VanDerWaalsContact O-N 3.15Å; R142-D153 IonicContact NH2-OD2 2.65Å
143	P	78.4	Confident	87.4	Confident	116 Å²	116	55.5 Å²	55.5	75%	0.753	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-17.8	177.6	-26.4	36.2	0	0	0	115.9	L177	P143-L177 HydrophobicContact CB-CD2 4.35Å; P143-L177 HydrophobicContact CG-CD2 4.44Å
144	T	80.1	Confident	88.1	Confident	132 Å²	132	50 Å²	50	81%	0.81	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.9	18.7	-178.8	63.2	0	0	0	0	112.6	R142	R142-T144 PolarHBondContact O-N 2.91Å
145	E	87.1	Confident	89.1	Confident	22 Å²	22	52.1 Å²	52.1	10%	0.103	26%	0.263	C	S	.	.			trans	-126.2	130.5	-166.2	180	-178.5	-144	0	0	112	R139 Q141 R142 E149 F150	R139-E145 IonicContact CZ-OE1 3.19Å; R139-E145 VanDerWaalsContact CZ-OE1 3.26Å; R139-E145 IonicContact CZ-OE2 3.85Å; R139-E145 VanDerWaalsContact NH1-CD 3.31Å; R139-E145 IonicContact NH1-OE1 2.74Å; R139-E145 PolarHBondContact NH1-OE1 3.27Å; R139-E145 IonicContact NH1-OE2 2.73Å; R139-E145 PolarHBondContact NH1-OE2 3.17Å; R139-E145 IonicContact NH2-OE1 3.29Å; R139-E145 PolarHBondContact NH2-OE1 2.95Å; R139-E145 IonicContact NH2-OE2 3.52Å; Q141-E145 WeakPolarHBondContact CA-OE2 3.37Å; Q141-E145 PolarHBondContact NE2-O 3.43Å; R142-E145 HydrophobicContact CB-CB 3.85Å; R142-E145 WeakPolarHBondContact CG-OE2 3.48Å; R142-E145 PolarHBondContact N-OE2 3.09Å; R142-E145 IonicContact NE-OE2 3.98Å; R142-E145 WeakPolarHBondContact O-CB 3.42Å; R142-E145 PolarHBondContact O-N 3.27Å; R142-E145 VanDerWaalsContact O-N 3.15Å; E145-E149 HydrophobicContact CG-CB 3.63Å; E145-F150 HydrophobicContact CG-CB 4.25Å; E145-F150 WeakPolarHBondContact OE1-CA 3.41Å; E145-F150 PolarHBondContact OE1-N 3.03Å
146	S	90.1	Very high	89.5	Confident	40 Å²	40	58 Å²	58	28%	0.28	29%	0.289	S	S	.	.			trans	-68.9	161.1	176	63.2	0	0	0	0	113.1	E148 E149 F150	S146-E148 PolarHBondContact O-N 2.95Å; S146-E149 VanDerWaalsContact CB-OE2 3.29Å; S146-E149 WeakPolarHBondContact CB-OE2 3.4Å; S146-E149 PolarHBondContact N-OE2 3.05Å; S146-E149 PolarHBondContact O-N 3.45Å; S146-E149 WeakPolarHBondContact OG-CB 3.31Å; S146-E149 VanDerWaalsContact OG-CD 3.3Å; S146-E149 VanDerWaalsContact OG-CG 3.26Å; S146-E149 WeakPolarHBondContact OG-CG 3.4Å; S146-E149 PolarHBondContact OG-N 3.36Å; S146-E149 VanDerWaalsContact OG-N 3.11Å; S146-E149 PolarHBondContact OG-OE2 3.18Å; S146-F150 PolarHBondContact O-N 2.86Å; S146-F150 VanDerWaalsContact O-N 3.1Å
147	L	91.4	Very high	89.4	Confident	3 Å²	3	58.5 Å²	58.5	2%	0.016	29%	0.292	C	S	.	.	H	α-helix	trans	-64.1	-28.1	172.7	-74.5	169.6	0	0	0	112	A151 F172 I176 A200 H204	L147-A151 VanDerWaalsContact O-CB 3.25Å; L147-A151 WeakPolarHBondContact O-CB 3.39Å; L147-A151 PolarHBondContact O-N 3.25Å; L147-F172 HydrophobicContact CD2-CZ 4.25Å; L147-I176 HydrophobicContact CD2-CG1 4.4Å; L147-A200 HydrophobicContact CD1-CB 3.91Å; L147-A200 HydrophobicContact CD2-CB 4.22Å; L147-H204 HydrophobicContact CD1-CB 3.82Å
148	E	90.2	Very high	89.8	Confident	87 Å²	87	56.9 Å²	56.9	41%	0.407	28%	0.279	S	S	.	.	H	α-helix	trans	-59.7	-60	168.5	-78.7	81.8	168.7	0	0	112.2	S146 F150 A151 D152 K201	S146-E148 PolarHBondContact O-N 2.95Å; E148-F150 PolarHBondContact O-N 3.02Å; E148-A151 WeakPolarHBondContact O-CB 3.46Å; E148-A151 PolarHBondContact O-N 3.36Å; E148-A151 VanDerWaalsContact O-N 3.09Å; E148-D152 PolarHBondContact O-N 3Å; E148-K201 VanDerWaalsContact CG-NZ 3.33Å; E148-K201 WeakPolarHBondContact OE1-CE 3.34Å; E148-K201 IonicContact OE1-NZ 2.61Å; E148-K201 PolarHBondContact OE1-NZ 3.07Å; E148-K201 IonicContact OE2-NZ 3.97Å
149	E	90.8	Very high	89.9	Confident	108 Å²	108	63.1 Å²	63.1	51%	0.505	30%	0.3	S	S	.	.	H	α-helix	trans	-61.1	-43.3	-175.4	-72.2	161.5	118.4	0	0	111.9	E145 S146 A151 D152 D153	E145-E149 HydrophobicContact CG-CB 3.63Å; S146-E149 VanDerWaalsContact CB-OE2 3.29Å; S146-E149 WeakPolarHBondContact CB-OE2 3.4Å; S146-E149 PolarHBondContact N-OE2 3.05Å; S146-E149 PolarHBondContact O-N 3.45Å; S146-E149 WeakPolarHBondContact OG-CB 3.31Å; S146-E149 VanDerWaalsContact OG-CD 3.3Å; S146-E149 VanDerWaalsContact OG-CG 3.26Å; S146-E149 WeakPolarHBondContact OG-CG 3.4Å; S146-E149 PolarHBondContact OG-N 3.36Å; S146-E149 VanDerWaalsContact OG-N 3.11Å; S146-E149 PolarHBondContact OG-OE2 3.18Å; E149-A151 VanDerWaalsContact C-N 3.29Å; E149-A151 PolarHBondContact O-N 3Å; E149-D152 PolarHBondContact O-N 3.46Å; E149-D153 WeakPolarHBondContact O-CB 3.42Å; E149-D153 PolarHBondContact O-N 3.4Å
150	F	95.5	Very high	89.5	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-60.5	-39.2	175.5	172.3	-127.9	0	0	0	111.8	R139 Q141 E145 S146 E148 L154 F172 G175 I176	R139-F150 HydrophobicContact CG-CD2 4.45Å; R139-F150 HydrophobicContact CG-CE2 4.17Å; Q141-F150 HydrophobicContact CB-CB 4.23Å; Q141-F150 HydrophobicContact CB-CD1 3.87Å; Q141-F150 HydrophobicContact CB-CD2 4.07Å; Q141-F150 HydrophobicContact CB-CE1 4.26Å; Q141-F150 HydrophobicContact CB-CE2 4.45Å; Q141-F150 HydrophobicContact CB-CG 3.78Å; Q141-F150 HydrophobicContact CG-CB 4.15Å; Q141-F150 HydrophobicContact CG-CD1 4.41Å; Q141-F150 HydrophobicContact CG-CG 4.24Å; E145-F150 HydrophobicContact CG-CB 4.25Å; E145-F150 WeakPolarHBondContact OE1-CA 3.41Å; E145-F150 PolarHBondContact OE1-N 3.03Å; S146-F150 PolarHBondContact O-N 2.86Å; S146-F150 VanDerWaalsContact O-N 3.1Å; E148-F150 PolarHBondContact O-N 3.02Å; F150-L154 HydrophobicContact CD2-CD1 4.15Å; F150-L154 HydrophobicContact CD2-CG 4.49Å; F150-L154 HydrophobicContact CE1-CD1 4.1Å; F150-L154 HydrophobicContact CE2-CD1 3.56Å; F150-L154 HydrophobicContact CE2-CG 4.09Å; F150-L154 HydrophobicContact CZ-CD1 3.52Å; F150-L154 WeakPolarHBondContact O-CB 3.21Å; F150-L154 WeakPolarHBondContact O-CG 3.47Å; F150-L154 PolarHBondContact O-N 2.93Å; F150-L154 VanDerWaalsContact O-N 3.16Å; F150-F172 AromaticContact CD1-CD2 3.69Å; F150-F172 HydrophobicContact CD1-CD2 3.69Å; F150-F172 AromaticContact CD1-CE2 3.6Å; F150-F172 HydrophobicContact CD1-CE2 3.6Å; F150-F172 AromaticContact CE1-CD2 3.4Å; F150-F172 HydrophobicContact CE1-CD2 3.4Å; F150-F172 VanDerWaalsContact CE1-CD2 3.4Å; F150-F172 AromaticContact CE1-CE2 3.74Å; F150-F172 HydrophobicContact CE1-CE2 3.74Å; F150-F172 HydrophobicContact CE1-CG 4.15Å; F150-F172 HydrophobicContact CZ-CD2 4.23Å; F150-G175 VanDerWaalsContact CZ-C 3.48Å; F150-G175 WeakPolarHBondContact CZ-O 3.11Å; F150-I176 HydrophobicContact CE1-CG1 4.41Å
151	A	94.7	Very high	88.9	Confident	1 Å²	1	63.1 Å²	63.1	1%	0.008	30%	0.304	C	S	.	.	H	α-helix	trans	-70.3	-42.9	176.8	0	0	0	0	0	112.6	L147 E148 E149 L154 R155 F172 F193 V197	L147-A151 VanDerWaalsContact O-CB 3.25Å; L147-A151 WeakPolarHBondContact O-CB 3.39Å; L147-A151 PolarHBondContact O-N 3.25Å; E148-A151 WeakPolarHBondContact O-CB 3.46Å; E148-A151 PolarHBondContact O-N 3.36Å; E148-A151 VanDerWaalsContact O-N 3.09Å; E149-A151 VanDerWaalsContact C-N 3.29Å; E149-A151 PolarHBondContact O-N 3Å; A151-L154 WeakPolarHBondContact O-CB 3.38Å; A151-L154 PolarHBondContact O-N 3.09Å; A151-R155 WeakPolarHBondContact O-CG 3.47Å; A151-R155 PolarHBondContact O-N 3.28Å; A151-F172 HydrophobicContact CB-CE2 4.13Å; A151-F193 HydrophobicContact CB-CE2 4.47Å; A151-F193 HydrophobicContact CB-CZ 3.79Å; A151-F193 WeakPolarHBondContact O-CZ 3.07Å; A151-V197 HydrophobicContact CB-CG1 4.23Å; A151-V197 HydrophobicContact CB-CG2 3.7Å
152	D	92.5	Very high	88.3	Confident	82 Å²	82	65.5 Å²	65.5	44%	0.439	34%	0.335	S	S	.	.	H	α-helix	trans	-73.5	-32	-178.7	-81.9	-36.6	0	0	0	113.4	E148 E149 R155 K156	E148-D152 PolarHBondContact O-N 3Å; E149-D152 PolarHBondContact O-N 3.46Å; D152-R155 WeakPolarHBondContact O-CB 3.26Å; D152-R155 PolarHBondContact O-N 3.33Å; D152-R155 WeakPolarHBondContact OD1-CD 3.26Å; D152-R155 IonicContact OD1-CZ 3.93Å; D152-R155 IonicContact OD1-NE 3.97Å; D152-R155 IonicContact OD1-NH1 2.94Å; D152-R155 PolarHBondContact OD1-NH1 2.89Å; D152-K156 WeakPolarHBondContact O-CG 3.5Å; D152-K156 PolarHBondContact O-N 3.32Å
153	D	90.7	Very high	88.3	Confident	44 Å²	44	64.8 Å²	64.8	24%	0.235	33%	0.332	C	S	.	.	H	α-helix	trans	-70.3	-35.5	171.4	-159.4	44.4	0	0	0	111.6	R139 R142 E149 K156 L157	R139-D153 IonicContact CZ-OD2 3.13Å; R139-D153 IonicContact NE-OD2 3.75Å; R139-D153 PolarHBondContact NE-OD2 2.96Å; R139-D153 IonicContact NH2-OD2 2.65Å; R139-D153 PolarHBondContact NH2-OD2 3.37Å; R142-D153 IonicContact NH2-OD2 2.65Å; E149-D153 WeakPolarHBondContact O-CB 3.42Å; E149-D153 PolarHBondContact O-N 3.4Å; D153-K156 PolarHBondContact O-N 2.8Å; D153-L157 WeakPolarHBondContact O-CB 3.28Å; D153-L157 WeakPolarHBondContact O-CG 3.38Å; D153-L157 PolarHBondContact O-N 3.41Å
154	L	93.5	Very high	88.9	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-60	-43	166.9	-87.7	171.6	0	0	0	112.1	F136 R139 F150 A151 K156 L157 G158 L168 Q171 F172 F193	F136-L154 HydrophobicContact CD2-CD2 4.19Å; F136-L154 HydrophobicContact CE2-CD2 3.94Å; R139-L154 HydrophobicContact CB-CD2 4.19Å; R139-L154 HydrophobicContact CG-CD2 4.25Å; R139-L154 HydrophobicContact CG-CG 4.3Å; F150-L154 HydrophobicContact CD2-CD1 4.15Å; F150-L154 HydrophobicContact CD2-CG 4.49Å; F150-L154 HydrophobicContact CE1-CD1 4.1Å; F150-L154 HydrophobicContact CE2-CD1 3.56Å; F150-L154 HydrophobicContact CE2-CG 4.09Å; F150-L154 HydrophobicContact CZ-CD1 3.52Å; F150-L154 WeakPolarHBondContact O-CB 3.21Å; F150-L154 WeakPolarHBondContact O-CG 3.47Å; F150-L154 PolarHBondContact O-N 2.93Å; F150-L154 VanDerWaalsContact O-N 3.16Å; A151-L154 WeakPolarHBondContact O-CB 3.38Å; A151-L154 PolarHBondContact O-N 3.09Å; L154-K156 VanDerWaalsContact C-N 3.31Å; L154-K156 PolarHBondContact O-N 2.86Å; L154-L157 PolarHBondContact O-N 2.79Å; L154-G158 PolarHBondContact O-N 3.19Å; L154-L168 HydrophobicContact CB-CD2 4.13Å; L154-L168 WeakPolarHBondContact O-CD2 3.36Å; L154-Q171 HydrophobicContact CD2-CB 4.15Å; L154-Q171 HydrophobicContact CD2-CG 3.59Å; L154-F172 HydrophobicContact CD1-CB 3.99Å; L154-F172 HydrophobicContact CD1-CD2 4.05Å; L154-F193 HydrophobicContact CB-CE2 4.38Å; L154-F193 HydrophobicContact CB-CZ 4.27Å; L154-F193 HydrophobicContact CD1-CE2 4.28Å
155	R	93.2	Very high	89.4	Confident	76 Å²	76	59.1 Å²	59.1	29%	0.287	30%	0.295	S	S	.	.	H	α-helix	trans	-61.4	-35.2	174.6	-72.2	-174.9	-178.4	100	10	113.3	A151 D152 R159 F193	A151-R155 WeakPolarHBondContact O-CG 3.47Å; A151-R155 PolarHBondContact O-N 3.28Å; D152-R155 WeakPolarHBondContact O-CB 3.26Å; D152-R155 PolarHBondContact O-N 3.33Å; D152-R155 WeakPolarHBondContact OD1-CD 3.26Å; D152-R155 IonicContact OD1-CZ 3.93Å; D152-R155 IonicContact OD1-NE 3.97Å; D152-R155 IonicContact OD1-NH1 2.94Å; D152-R155 PolarHBondContact OD1-NH1 2.89Å; R155-R159 WeakPolarHBondContact O-CB 3.45Å; R155-R159 PolarHBondContact O-N 2.88Å; R155-R159 PolarHBondContact O-NE 2.68Å; R155-F193 HydrophobicContact CG-CE1 3.59Å; R155-F193 HydrophobicContact CG-CZ 4.22Å
156	K	90.3	Very high	89.4	Confident	137 Å²	137	64.1 Å²	64.1	60%	0.596	32%	0.322	S	S	*	.	H	α-helix	trans	-69.4	-53.5	176.1	-75.3	175.8	178.7	175.6	0	110.6	D152 D153 L154 G158 R159 R160	D152-K156 WeakPolarHBondContact O-CG 3.5Å; D152-K156 PolarHBondContact O-N 3.32Å; D153-K156 PolarHBondContact O-N 2.8Å; L154-K156 VanDerWaalsContact C-N 3.31Å; L154-K156 PolarHBondContact O-N 2.86Å; K156-G158 PolarHBondContact O-N 3.42Å; K156-R159 PolarHBondContact O-N 3.48Å; K156-R160 WeakPolarHBondContact O-CG 3.26Å; K156-R160 PolarHBondContact O-N 2.86Å; K156-R160 VanDerWaalsContact O-N 3.1Å
157	L	88.3	Confident	89.3	Confident	18 Å²	18	64.5 Å²	64.5	9%	0.094	32%	0.321	C	S	.	.	H	α-helix	trans	-62.8	-43.4	-179.8	-69.4	174	0	0	0	112.1	R135 F136 R139 D153 L154 R160 A161	R135-L157 HydrophobicContact CB-CD1 4.25Å; R135-L157 HydrophobicContact CB-CD2 3.64Å; R135-L157 HydrophobicContact CG-CD2 4.43Å; F136-L157 HydrophobicContact CB-CB 4.19Å; F136-L157 HydrophobicContact CD2-CB 4.14Å; R139-L157 HydrophobicContact CB-CD1 4.18Å; R139-L157 HydrophobicContact CG-CD1 4.08Å; D153-L157 WeakPolarHBondContact O-CB 3.28Å; D153-L157 WeakPolarHBondContact O-CG 3.38Å; D153-L157 PolarHBondContact O-N 3.41Å; L154-L157 PolarHBondContact O-N 2.79Å; L157-R160 PolarHBondContact O-N 2.81Å; L157-A161 VanDerWaalsContact O-CB 3.22Å; L157-A161 WeakPolarHBondContact O-CB 3.4Å; L157-A161 PolarHBondContact O-N 3.15Å
158	G	88.2	Confident	89.4	Confident	1 Å²	1	65.2 Å²	65.2	1%	0.01	33%	0.325	C	S	.	.	H	α-helix	trans	-62.9	-42.1	179.2	0	0	0	0	0	113.2	L154 K156 A161 G162 R163	L154-G158 PolarHBondContact O-N 3.19Å; K156-G158 PolarHBondContact O-N 3.42Å; G158-A161 CarbonylContact O-C 3.57Å; G158-A161 PolarHBondContact O-N 3.19Å; G158-G162 PolarHBondContact O-N 3.49Å; G158-G162 VanDerWaalsContact O-N 3.13Å; G158-R163 PolarHBondContact O-N 2.78Å
159	R	85.9	Confident	89.6	Confident	199 Å²	199	62 Å²	62	75%	0.751	31%	0.31	S	S	*	.	H	α-helix	trans	-63.9	-43.2	173.3	-89.7	-173.2	-79.2	-164.8	-4.4	112.4	R155 K156 A161	R155-R159 WeakPolarHBondContact O-CB 3.45Å; R155-R159 PolarHBondContact O-N 2.88Å; R155-R159 PolarHBondContact O-NE 2.68Å; K156-R159 PolarHBondContact O-N 3.48Å; R159-A161 VanDerWaalsContact C-N 3.31Å; R159-A161 PolarHBondContact O-N 3.25Å
160	R	83.8	Confident	89.5	Confident	114 Å²	114	58.8 Å²	58.8	43%	0.43	31%	0.305	S	S	.	.	H	α-helix	trans	-65.3	-33.9	176.2	-70.1	-173	61.5	163.6	5.1	112.6	D127 V132 K156 L157	D127-R160 IonicContact OD1-NH2 2.76Å; D127-R160 IonicContact OD2-CZ 3.05Å; D127-R160 VanDerWaalsContact OD2-CZ 3.3Å; D127-R160 IonicContact OD2-NH1 3.16Å; D127-R160 PolarHBondContact OD2-NH1 3.18Å; D127-R160 IonicContact OD2-NH2 2.69Å; D127-R160 PolarHBondContact OD2-NH2 3.21Å; V132-R160 VanDerWaalsContact CG1-C 3.42Å; V132-R160 HydrophobicContact CG1-CB 3.6Å; V132-R160 WeakPolarHBondContact CG1-O 3.45Å; K156-R160 WeakPolarHBondContact O-CG 3.26Å; K156-R160 PolarHBondContact O-N 2.86Å; K156-R160 VanDerWaalsContact O-N 3.1Å; L157-R160 PolarHBondContact O-N 2.81Å
161	A	79.4	Confident	89.4	Confident	21 Å²	21	60.1 Å²	60.1	17%	0.174	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	12.6	-177.4	0	0	0	0	0	114.4	V132 F136 L157 G158 R159 R163	V132-A161 HydrophobicContact CG1-CB 3.86Å; F136-A161 HydrophobicContact CB-CB 4.16Å; L157-A161 VanDerWaalsContact O-CB 3.22Å; L157-A161 WeakPolarHBondContact O-CB 3.4Å; L157-A161 PolarHBondContact O-N 3.15Å; G158-A161 CarbonylContact O-C 3.57Å; G158-A161 PolarHBondContact O-N 3.19Å; R159-A161 VanDerWaalsContact C-N 3.31Å; R159-A161 PolarHBondContact O-N 3.25Å; A161-R163 VanDerWaalsContact C-N 3.28Å; A161-R163 HydrophobicContact CB-CG 3.76Å; A161-R163 WeakPolarHBondContact O-CD 3.31Å; A161-R163 WeakPolarHBondContact O-CG 3.43Å; A161-R163 PolarHBondContact O-N 2.84Å
162	G	81.7	Confident	89.5	Confident	73 Å²	73	60 Å²	60	75%	0.753	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.3	30.4	177.5	0	0	0	0	0	114.9	G158	G158-G162 PolarHBondContact O-N 3.49Å; G158-G162 VanDerWaalsContact O-N 3.13Å
163	R	89.2	Confident	89.4	Confident	86 Å²	86	57.2 Å²	57.2	33%	0.325	30%	0.295	S	S	.	.			trans	-90.1	147.5	-171.1	-53.2	-52.8	-66.5	-174	1.2	112.8	F136 G158 A161 D167	F136-R163 HydrophobicContact CD1-CG 3.86Å; F136-R163 HydrophobicContact CD2-CG 4.14Å; F136-R163 HydrophobicContact CE1-CB 4.36Å; F136-R163 HydrophobicContact CE1-CG 3.81Å; F136-R163 HydrophobicContact CE2-CB 4.23Å; F136-R163 HydrophobicContact CE2-CG 4.08Å; F136-R163 HydrophobicContact CG-CG 4.04Å; F136-R163 HydrophobicContact CZ-CB 4.05Å; F136-R163 HydrophobicContact CZ-CG 3.92Å; G158-R163 PolarHBondContact O-N 2.78Å; A161-R163 VanDerWaalsContact C-N 3.28Å; A161-R163 HydrophobicContact CB-CG 3.76Å; A161-R163 WeakPolarHBondContact O-CD 3.31Å; A161-R163 WeakPolarHBondContact O-CG 3.43Å; A161-R163 PolarHBondContact O-N 2.84Å; R163-D167 HydrophobicContact CB-CB 3.76Å; R163-D167 IonicContact CZ-OD1 2.71Å; R163-D167 IonicContact NE-OD1 3.26Å; R163-D167 PolarHBondContact NE-OD1 2.89Å; R163-D167 IonicContact NE-OD2 2.64Å; R163-D167 IonicContact NH2-OD1 3.94Å; R163-D167 PolarHBondContact NH2-OD1 3.36Å; R163-D167 IonicContact NH2-OD2 3.32Å
164	S	90.6	Very high	89.2	Confident	56 Å²	56	56.9 Å²	56.9	39%	0.392	30%	0.302	S	S	.	.			trans	-76.2	167.4	178.2	68.8	0	0	0	0	112.9	L166 D167 L168	S164-L166 PolarHBondContact O-N 3.35Å; S164-L166 PolarHBondContact OG-N 3.3Å; S164-D167 WeakPolarHBondContact CB-OD2 3.49Å; S164-D167 PolarHBondContact N-OD2 3.44Å; S164-D167 WeakPolarHBondContact O-CB 3.33Å; S164-D167 PolarHBondContact O-N 3.23Å; S164-D167 PolarHBondContact OG-N 3.44Å; S164-D167 VanDerWaalsContact OG-N 3.1Å; S164-D167 PolarHBondContact OG-OD2 2.8Å; S164-L168 PolarHBondContact O-N 2.88Å
165	D	90.7	Very high	89	Confident	74 Å²	74	57 Å²	57	40%	0.396	30%	0.304	S	S	.	.	H	α-helix	trans	-61.3	-30.5	170.7	-163.6	82.3	0	0	0	111.7	L168 H169 S192 F193	D165-L168 PolarHBondContact O-N 3.13Å; D165-H169 WeakPolarHBondContact O-CB 3.48Å; D165-H169 PolarHBondContact O-N 3.31Å; D165-S192 VanDerWaalsContact OD2-CA 3.23Å; D165-S192 WeakPolarHBondContact OD2-CA 3.18Å; D165-S192 VanDerWaalsContact OD2-CB 3.29Å; D165-S192 WeakPolarHBondContact OD2-CB 3.43Å; D165-F193 PolarHBondContact OD2-N 3.23Å
166	L	86	Confident	89.1	Confident	126 Å²	126	53.9 Å²	53.9	66%	0.66	29%	0.292	S	S	*	.	H	α-helix	trans	-69.1	-36	175.8	-166.7	71	0	0	0	112.3	S164 G170	S164-L166 PolarHBondContact O-N 3.35Å; S164-L166 PolarHBondContact OG-N 3.3Å; L166-G170 PolarHBondContact O-N 3.36Å
167	D	88.8	Confident	89.1	Confident	48 Å²	48	51.9 Å²	51.9	26%	0.257	29%	0.288	S	S	.	.	H	α-helix	trans	-66	-47.4	171.2	-69.3	-73.8	0	0	0	111.3	F136 R163 S164 H169 G170 Q171	F136-D167 HydrophobicContact CE1-CB 4.19Å; F136-D167 HydrophobicContact CZ-CB 3.9Å; R163-D167 HydrophobicContact CB-CB 3.76Å; R163-D167 IonicContact CZ-OD1 2.71Å; R163-D167 IonicContact NE-OD1 3.26Å; R163-D167 PolarHBondContact NE-OD1 2.89Å; R163-D167 IonicContact NE-OD2 2.64Å; R163-D167 IonicContact NH2-OD1 3.94Å; R163-D167 PolarHBondContact NH2-OD1 3.36Å; R163-D167 IonicContact NH2-OD2 3.32Å; S164-D167 WeakPolarHBondContact CB-OD2 3.49Å; S164-D167 PolarHBondContact N-OD2 3.44Å; S164-D167 WeakPolarHBondContact O-CB 3.33Å; S164-D167 PolarHBondContact O-N 3.23Å; S164-D167 PolarHBondContact OG-N 3.44Å; S164-D167 VanDerWaalsContact OG-N 3.1Å; S164-D167 PolarHBondContact OG-OD2 2.8Å; D167-H169 VanDerWaalsContact C-N 3.28Å; D167-H169 PolarHBondContact O-N 3.34Å; D167-G170 PolarHBondContact O-N 3.2Å; D167-Q171 WeakPolarHBondContact O-CB 3.29Å; D167-Q171 PolarHBondContact O-N 2.66Å
168	L	93.9	Very high	89	Confident	19 Å²	19	52.8 Å²	52.8	10%	0.099	29%	0.293	C	S	.	.	H	α-helix	trans	-57.8	-43.9	176.7	-78	158.8	0	0	0	110.8	F136 L154 S164 D165 F172 F193	F136-L168 HydrophobicContact CE2-CD2 4.04Å; F136-L168 HydrophobicContact CE2-CG 4.41Å; L154-L168 HydrophobicContact CB-CD2 4.13Å; L154-L168 WeakPolarHBondContact O-CD2 3.36Å; S164-L168 PolarHBondContact O-N 2.88Å; D165-L168 PolarHBondContact O-N 3.13Å; L168-F172 VanDerWaalsContact O-CB 3.26Å; L168-F172 WeakPolarHBondContact O-CB 3.37Å; L168-F172 PolarHBondContact O-N 3.03Å; L168-F193 HydrophobicContact CB-CB 3.87Å; L168-F193 HydrophobicContact CB-CD1 4.27Å; L168-F193 HydrophobicContact CB-CD2 3.87Å; L168-F193 HydrophobicContact CB-CE2 4.48Å; L168-F193 HydrophobicContact CB-CG 3.74Å; L168-F193 WeakPolarHBondContact O-CD2 3.46Å
169	H	94.5	Very high	88.9	Confident	20 Å²	20	60.2 Å²	60.2	9%	0.093	33%	0.327	C	S	.	.	H	α-helix	trans	-61	-54.3	176.5	176.9	-110	0	0	0	112.4	D165 D167 Q171 F172 L173 T190 S192 F193	D165-H169 WeakPolarHBondContact O-CB 3.48Å; D165-H169 PolarHBondContact O-N 3.31Å; D167-H169 VanDerWaalsContact C-N 3.28Å; D167-H169 PolarHBondContact O-N 3.34Å; H169-Q171 VanDerWaalsContact C-N 3.33Å; H169-Q171 PolarHBondContact O-N 2.99Å; H169-F172 PolarHBondContact O-N 2.95Å; H169-L173 VanDerWaalsContact CE1-CD1 3.46Å; H169-L173 WeakPolarHBondContact CE1-CD1 3.31Å; H169-L173 WeakPolarHBondContact O-CG 3.37Å; H169-L173 PolarHBondContact O-N 2.99Å; H169-T190 PolarHBondContact CE1-O 3.3Å; H169-T190 PolarHBondContact NE2-O 3.4Å; H169-T190 PolarHBondContact NE2-OG1 2.99Å; H169-S192 VanDerWaalsContact CD2-C 3.5Å; H169-S192 PolarHBondContact CD2-O 2.85Å; H169-F193 HydrophobicContact CB-CB 4.25Å
170	G	87.9	Confident	88.8	Confident	39 Å²	39	56 Å²	56	40%	0.402	32%	0.316	S	S	.	.	H	α-helix	trans	-61.9	-39.3	178.6	0	0	0	0	0	112.9	L166 D167 G174	L166-G170 PolarHBondContact O-N 3.36Å; D167-G170 PolarHBondContact O-N 3.2Å; G170-G174 PolarHBondContact O-N 3.12Å
171	Q	93.4	Very high	89.1	Confident	28 Å²	28	51 Å²	51	13%	0.131	30%	0.298	C	S	.	.	H	α-helix	trans	-72.7	-31.3	179.5	-168.8	66.2	-4.4	0	0	112.8	F136 A137 R139 L154 D167 H169 G175	F136-Q171 HydrophobicContact CE1-CB 4.17Å; F136-Q171 HydrophobicContact CE1-CG 4.18Å; F136-Q171 HydrophobicContact CE2-CB 4.47Å; F136-Q171 HydrophobicContact CE2-CG 4.44Å; F136-Q171 HydrophobicContact CZ-CB 3.82Å; F136-Q171 HydrophobicContact CZ-CG 4.06Å; F136-Q171 PolarHBondContact O-NE2 2.79Å; A137-Q171 PolarHBondContact O-NE2 2.98Å; R139-Q171 PolarHBondContact O-NE2 3.02Å; L154-Q171 HydrophobicContact CD2-CB 4.15Å; L154-Q171 HydrophobicContact CD2-CG 3.59Å; D167-Q171 WeakPolarHBondContact O-CB 3.29Å; D167-Q171 PolarHBondContact O-N 2.66Å; H169-Q171 VanDerWaalsContact C-N 3.33Å; H169-Q171 PolarHBondContact O-N 2.99Å; Q171-G175 PolarHBondContact O-N 2.87Å
172	F	96	Very high	89.8	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-67.2	-52.7	170.3	-175	-101.2	0	0	0	111.3	L147 F150 A151 L154 L168 H169 G174 G175 I176 F193 A196 V197 A200	L147-F172 HydrophobicContact CD2-CZ 4.25Å; F150-F172 AromaticContact CD1-CD2 3.69Å; F150-F172 HydrophobicContact CD1-CD2 3.69Å; F150-F172 AromaticContact CD1-CE2 3.6Å; F150-F172 HydrophobicContact CD1-CE2 3.6Å; F150-F172 AromaticContact CE1-CD2 3.4Å; F150-F172 HydrophobicContact CE1-CD2 3.4Å; F150-F172 VanDerWaalsContact CE1-CD2 3.4Å; F150-F172 AromaticContact CE1-CE2 3.74Å; F150-F172 HydrophobicContact CE1-CE2 3.74Å; F150-F172 HydrophobicContact CE1-CG 4.15Å; F150-F172 HydrophobicContact CZ-CD2 4.23Å; A151-F172 HydrophobicContact CB-CE2 4.13Å; L154-F172 HydrophobicContact CD1-CB 3.99Å; L154-F172 HydrophobicContact CD1-CD2 4.05Å; L168-F172 VanDerWaalsContact O-CB 3.26Å; L168-F172 WeakPolarHBondContact O-CB 3.37Å; L168-F172 PolarHBondContact O-N 3.03Å; H169-F172 PolarHBondContact O-N 2.95Å; F172-G174 VanDerWaalsContact C-N 3.3Å; F172-G174 PolarHBondContact O-N 3.29Å; F172-G175 PolarHBondContact O-N 3.35Å; F172-I176 HydrophobicContact CD1-CD1 4.21Å; F172-I176 HydrophobicContact CD1-CG1 4.46Å; F172-I176 HydrophobicContact CE1-CD1 3.86Å; F172-I176 HydrophobicContact CE1-CG1 4.18Å; F172-I176 HydrophobicContact CZ-CD1 4.41Å; F172-I176 HydrophobicContact CZ-CG1 4.33Å; F172-I176 PolarHBondContact O-N 3.15Å; F172-I176 VanDerWaalsContact O-N 3.11Å; F172-F193 HydrophobicContact CB-CD2 3.82Å; F172-F193 HydrophobicContact CB-CE2 3.75Å; F172-F193 AromaticContact CD2-CE2 3.78Å; F172-F193 HydrophobicContact CD2-CE2 3.78Å; F172-F193 HydrophobicContact CG-CD2 4.18Å; F172-F193 AromaticContact CG-CE2 3.88Å; F172-F193 HydrophobicContact CG-CE2 3.88Å; F172-A196 HydrophobicContact CD1-CB 3.76Å; F172-A196 HydrophobicContact CE1-CB 4.04Å; F172-V197 HydrophobicContact CD1-CG2 4.45Å; F172-V197 HydrophobicContact CD2-CG2 4.16Å; F172-V197 HydrophobicContact CE1-CG2 4.06Å; F172-V197 HydrophobicContact CE2-CG2 3.76Å; F172-V197 HydrophobicContact CG-CG2 4.5Å; F172-V197 HydrophobicContact CZ-CB 4.31Å; F172-V197 HydrophobicContact CZ-CG2 3.71Å; F172-A200 HydrophobicContact CE1-CB 3.89Å; F172-A200 HydrophobicContact CZ-CB 3.88Å
173	L	91.9	Very high	89.9	Confident	23 Å²	23	50.7 Å²	50.7	12%	0.12	28%	0.28	C	S	.	.	H	α-helix	trans	-56.2	-43.7	177.5	-71	175.3	0	0	0	112.1	H169 G175 Q182 V185 L186 A196	H169-L173 VanDerWaalsContact CE1-CD1 3.46Å; H169-L173 WeakPolarHBondContact CE1-CD1 3.31Å; H169-L173 WeakPolarHBondContact O-CG 3.37Å; H169-L173 PolarHBondContact O-N 2.99Å; L173-G175 PolarHBondContact O-N 2.94Å; L173-Q182 PolarHBondContact O-NE2 3.37Å; L173-V185 HydrophobicContact CD2-CB 4.18Å; L173-V185 HydrophobicContact CD2-CG1 3.53Å; L173-L186 HydrophobicContact CB-CD2 4.4Å; L173-L186 HydrophobicContact CD1-CD2 4.14Å; L173-L186 HydrophobicContact CD2-CD2 4.2Å; L173-L186 HydrophobicContact CD2-CG 4.49Å; L173-L186 HydrophobicContact CG-CD2 4.5Å; L173-A196 HydrophobicContact CD2-CB 4.45Å
174	G	85.8	Confident	89.9	Confident	37 Å²	37	48.3 Å²	48.3	38%	0.381	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	0.3	176.5	0	0	0	0	0	115.3	R140 G170 F172	R140-G174 WeakPolarHBondContact CD-O 2.95Å; R140-G174 PolarHBondContact NE-O 2.86Å; G170-G174 PolarHBondContact O-N 3.12Å; F172-G174 VanDerWaalsContact C-N 3.3Å; F172-G174 PolarHBondContact O-N 3.29Å
175	G	89.9	Confident	89.9	Confident	3 Å²	3	45.7 Å²	45.7	3%	0.031	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.7	-3	-171.9	0	0	0	0	0	117.7	R140 Q141 F150 Q171 F172 L173 L177	R140-G175 VanDerWaalsContact CD-CA 3.46Å; Q141-G175 VanDerWaalsContact CB-O 3.29Å; Q141-G175 WeakPolarHBondContact CB-O 3.17Å; Q141-G175 PolarHBondContact N-O 3.46Å; F150-G175 VanDerWaalsContact CZ-C 3.48Å; F150-G175 WeakPolarHBondContact CZ-O 3.11Å; Q171-G175 PolarHBondContact O-N 2.87Å; F172-G175 PolarHBondContact O-N 3.35Å; L173-G175 PolarHBondContact O-N 2.94Å; G175-L177 PolarHBondContact O-N 2.91Å
176	I	94.2	Very high	89.7	Confident	9 Å²	9	47 Å²	47	5%	0.046	26%	0.261	C	S	.	.			trans	-57	132.6	166.1	-65.9	162.5	0	0	0	109.2	L147 F150 F172 D178 I181 Q182 V185 A200	L147-I176 HydrophobicContact CD2-CG1 4.4Å; F150-I176 HydrophobicContact CE1-CG1 4.41Å; F172-I176 HydrophobicContact CD1-CD1 4.21Å; F172-I176 HydrophobicContact CD1-CG1 4.46Å; F172-I176 HydrophobicContact CE1-CD1 3.86Å; F172-I176 HydrophobicContact CE1-CG1 4.18Å; F172-I176 HydrophobicContact CZ-CD1 4.41Å; F172-I176 HydrophobicContact CZ-CG1 4.33Å; F172-I176 PolarHBondContact O-N 3.15Å; F172-I176 VanDerWaalsContact O-N 3.11Å; I176-D178 HydrophobicContact CG2-CB 4.33Å; I176-D178 WeakPolarHBondContact CG2-O 3.5Å; I176-I181 HydrophobicContact CG2-CB 4.31Å; I176-I181 HydrophobicContact CG2-CG2 4.23Å; I176-Q182 HydrophobicContact CB-CB 4.15Å; I176-Q182 HydrophobicContact CG2-CB 4.09Å; I176-V185 HydrophobicContact CD1-CG2 4.33Å; I176-A200 HydrophobicContact CD1-CB 4.41Å
177	L	90.3	Very high	89.7	Confident	95 Å²	95	48.6 Å²	48.6	50%	0.497	26%	0.263	S	S	.	.	S	Bend	trans	-73.7	-38.1	-179.1	-178.4	69.3	0	0	0	112.2	Q141 P143 G175	Q141-L177 HydrophobicContact CB-CB 4.04Å; Q141-L177 HydrophobicContact CG-CB 4.09Å; P143-L177 HydrophobicContact CB-CD2 4.35Å; P143-L177 HydrophobicContact CG-CD2 4.44Å; G175-L177 PolarHBondContact O-N 2.91Å
178	D	87.9	Confident	89.5	Confident	38 Å²	38	48.6 Å²	48.6	20%	0.203	27%	0.27	C	S	.	.			trans	-83.6	115.1	-175.3	-170.5	-69.5	0	0	0	111.6	I176 E180 I181 Q182 R207	I176-D178 HydrophobicContact CG2-CB 4.33Å; I176-D178 WeakPolarHBondContact CG2-O 3.5Å; D178-E180 VanDerWaalsContact C-N 3.27Å; D178-E180 PolarHBondContact O-N 2.86Å; D178-E180 WeakPolarHBondContact OD1-CA 3.43Å; D178-E180 WeakPolarHBondContact OD1-CB 3.22Å; D178-E180 PolarHBondContact OD1-N 2.9Å; D178-I181 HydrophobicContact CB-CB 4.06Å; D178-I181 HydrophobicContact CB-CD1 3.91Å; D178-I181 HydrophobicContact CB-CG1 4.09Å; D178-I181 PolarHBondContact OD1-N 3.27Å; D178-Q182 WeakPolarHBondContact O-CB 3.35Å; D178-Q182 PolarHBondContact O-N 2.7Å; D178-R207 IonicContact OD1-NH1 2.85Å; D178-R207 IonicContact OD2-CZ 3.2Å; D178-R207 IonicContact OD2-NH1 2.83Å; D178-R207 PolarHBondContact OD2-NH1 3.11Å; D178-R207 IonicContact OD2-NH2 3.87Å
179	Q	85.6	Confident	89.2	Confident	157 Å²	157	53 Å²	53	73%	0.734	29%	0.293	S	S	*	.	H	α-helix	trans	-67.3	-25.8	-175.6	-65.6	-175	7.3	0	0	113.5	A183	Q179-A183 WeakPolarHBondContact O-CB 3.35Å; Q179-A183 PolarHBondContact O-N 3.36Å
180	E	83.9	Confident	89	Confident	110 Å²	110	52.6 Å²	52.6	51%	0.514	29%	0.292	S	S	.	.	H	α-helix	trans	-80.4	-44.9	-179.5	-173.8	169.9	-128.9	0	0	110.6	D178 A183 N184 R207	D178-E180 VanDerWaalsContact C-N 3.27Å; D178-E180 PolarHBondContact O-N 2.86Å; D178-E180 WeakPolarHBondContact OD1-CA 3.43Å; D178-E180 WeakPolarHBondContact OD1-CB 3.22Å; D178-E180 PolarHBondContact OD1-N 2.9Å; E180-A183 PolarHBondContact O-N 3.18Å; E180-N184 VanDerWaalsContact O-CB 3.3Å; E180-N184 WeakPolarHBondContact O-CB 3.28Å; E180-N184 PolarHBondContact O-N 3.17Å; E180-N184 PolarHBondContact O-ND2 2.95Å; E180-N184 VanDerWaalsContact O-ND2 3.14Å; E180-R207 VanDerWaalsContact OE2-CD 3.27Å; E180-R207 WeakPolarHBondContact OE2-CD 3.23Å
181	I	90.8	Very high	89	Confident	8 Å²	8	57.8 Å²	57.8	4%	0.041	30%	0.304	C	S	.	.	H	α-helix	trans	-59.7	-47.7	169.6	-61.4	173.7	0	0	0	109.5	I176 D178 A183 N184 V185 A200 F203 H204	I176-I181 HydrophobicContact CG2-CB 4.31Å; I176-I181 HydrophobicContact CG2-CG2 4.23Å; D178-I181 HydrophobicContact CB-CB 4.06Å; D178-I181 HydrophobicContact CB-CD1 3.91Å; D178-I181 HydrophobicContact CB-CG1 4.09Å; D178-I181 PolarHBondContact OD1-N 3.27Å; I181-A183 PolarHBondContact O-N 3.42Å; I181-N184 PolarHBondContact O-N 3.13Å; I181-N184 VanDerWaalsContact O-N 3.16Å; I181-V185 HydrophobicContact CG2-CG2 4.22Å; I181-V185 WeakPolarHBondContact O-CG2 3.27Å; I181-V185 PolarHBondContact O-N 3.12Å; I181-A200 HydrophobicContact CG2-CB 4.06Å; I181-F203 HydrophobicContact CG1-CB 4.31Å; I181-F203 HydrophobicContact CG2-CB 4.35Å; I181-H204 HydrophobicContact CD1-CB 3.83Å
182	Q	93.2	Very high	88.9	Confident	51 Å²	51	58.1 Å²	58.1	24%	0.238	31%	0.309	C	S	.	.	H	α-helix	trans	-56.3	-50.4	177.5	-176.6	-179.1	56.2	0	0	111.8	L173 I176 D178 N184 V185 L186	L173-Q182 PolarHBondContact O-NE2 3.37Å; I176-Q182 HydrophobicContact CB-CB 4.15Å; I176-Q182 HydrophobicContact CG2-CB 4.09Å; D178-Q182 WeakPolarHBondContact O-CB 3.35Å; D178-Q182 PolarHBondContact O-N 2.7Å; Q182-N184 VanDerWaalsContact C-N 3.28Å; Q182-N184 PolarHBondContact O-N 3.35Å; Q182-V185 PolarHBondContact O-N 2.78Å; Q182-L186 HydrophobicContact CG-CD1 4.03Å; Q182-L186 WeakPolarHBondContact O-CB 3.48Å; Q182-L186 VanDerWaalsContact O-CG 3.29Å; Q182-L186 WeakPolarHBondContact O-CG 3.38Å; Q182-L186 PolarHBondContact O-N 2.76Å
183	A	84.7	Confident	88.9	Confident	38 Å²	38	58.2 Å²	58.2	31%	0.314	31%	0.31	S	S	.	.	H	α-helix	trans	-62.5	-34.6	178.4	0	0	0	0	0	112.5	Q179 E180 I181 K187	Q179-A183 WeakPolarHBondContact O-CB 3.35Å; Q179-A183 PolarHBondContact O-N 3.36Å; E180-A183 PolarHBondContact O-N 3.18Å; I181-A183 PolarHBondContact O-N 3.42Å; A183-K187 VanDerWaalsContact O-CG 3.24Å; A183-K187 WeakPolarHBondContact O-CG 3.2Å; A183-K187 PolarHBondContact O-N 3.04Å
184	N	88.6	Confident	88.8	Confident	35 Å²	35	59.2 Å²	59.2	19%	0.187	32%	0.321	C	S	.	.	H	α-helix	trans	-78.9	-33	-179.5	-69.4	-25	0	0	0	113.1	E180 I181 Q182 K187 A188 F203	E180-N184 VanDerWaalsContact O-CB 3.3Å; E180-N184 WeakPolarHBondContact O-CB 3.28Å; E180-N184 PolarHBondContact O-N 3.17Å; E180-N184 PolarHBondContact O-ND2 2.95Å; E180-N184 VanDerWaalsContact O-ND2 3.14Å; I181-N184 PolarHBondContact O-N 3.13Å; I181-N184 VanDerWaalsContact O-N 3.16Å; Q182-N184 VanDerWaalsContact C-N 3.28Å; Q182-N184 PolarHBondContact O-N 3.35Å; N184-K187 PolarHBondContact O-N 2.83Å; N184-K187 PolarHBondContact OD1-NZ 3.46Å; N184-A188 PolarHBondContact O-N 2.94Å; N184-F203 HydrophobicContact CB-CD1 3.89Å; N184-F203 HydrophobicContact CB-CD2 3.67Å; N184-F203 HydrophobicContact CB-CE1 3.86Å; N184-F203 HydrophobicContact CB-CE2 3.63Å; N184-F203 HydrophobicContact CB-CG 3.81Å; N184-F203 HydrophobicContact CB-CZ 3.75Å
185	V	90.8	Very high	89.2	Confident	1 Å²	1	60.8 Å²	60.8	1%	0.006	32%	0.319	C	S	.	.	H	α-helix	trans	-69	-38.8	169.2	-175.1	0	0	0	0	110.9	L173 I176 I181 Q182 K187 A188 T190 A196 T199 A200 F203	L173-V185 HydrophobicContact CD2-CB 4.18Å; L173-V185 HydrophobicContact CD2-CG1 3.53Å; I176-V185 HydrophobicContact CD1-CG2 4.33Å; I181-V185 HydrophobicContact CG2-CG2 4.22Å; I181-V185 WeakPolarHBondContact O-CG2 3.27Å; I181-V185 PolarHBondContact O-N 3.12Å; Q182-V185 PolarHBondContact O-N 2.78Å; V185-K187 VanDerWaalsContact C-N 3.34Å; V185-K187 PolarHBondContact O-N 3.13Å; V185-A188 WeakPolarHBondContact O-CB 3.31Å; V185-A188 PolarHBondContact O-N 3.09Å; V185-A188 VanDerWaalsContact O-N 3.09Å; V185-T190 HydrophobicContact CG1-CG2 4.15Å; V185-A196 HydrophobicContact CG1-CB 4.13Å; V185-T199 HydrophobicContact CB-CG2 4.36Å; V185-T199 HydrophobicContact CG1-CG2 4.26Å; V185-T199 HydrophobicContact CG2-CG2 4.03Å; V185-A200 HydrophobicContact CG2-CB 3.84Å; V185-F203 HydrophobicContact CG2-CD2 4.4Å
186	L	85.4	Confident	89.4	Confident	102 Å²	102	60.7 Å²	60.7	53%	0.534	32%	0.317	S	S	.	.	H	α-helix	trans	-63.3	-36.1	174.5	-75.2	169.2	0	0	0	112.9	L173 Q182 A188	L173-L186 HydrophobicContact CB-CD2 4.4Å; L173-L186 HydrophobicContact CD1-CD2 4.14Å; L173-L186 HydrophobicContact CD2-CD2 4.2Å; L173-L186 HydrophobicContact CD2-CG 4.49Å; L173-L186 HydrophobicContact CG-CD2 4.5Å; Q182-L186 HydrophobicContact CG-CD1 4.03Å; Q182-L186 WeakPolarHBondContact O-CB 3.48Å; Q182-L186 VanDerWaalsContact O-CG 3.29Å; Q182-L186 WeakPolarHBondContact O-CG 3.38Å; Q182-L186 PolarHBondContact O-N 2.76Å; L186-A188 PolarHBondContact O-N 2.81Å
187	K	86.2	Confident	89.4	Confident	160 Å²	160	60.9 Å²	60.9	70%	0.696	32%	0.319	S	S	*	.	H	α-helix	trans	-68.1	-18.5	172.6	-73.8	167.7	-164.2	163	0	113.8	A183 N184 V185	A183-K187 VanDerWaalsContact O-CG 3.24Å; A183-K187 WeakPolarHBondContact O-CG 3.2Å; A183-K187 PolarHBondContact O-N 3.04Å; N184-K187 PolarHBondContact O-N 2.83Å; N184-K187 PolarHBondContact OD1-NZ 3.46Å; V185-K187 VanDerWaalsContact C-N 3.34Å; V185-K187 PolarHBondContact O-N 3.13Å
188	A	85.5	Confident	89.5	Confident	48 Å²	48	64.1 Å²	64.1	40%	0.397	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	4	-171.8	0	0	0	0	0	114.8	N184 V185 L186 T190 T199	N184-A188 PolarHBondContact O-N 2.94Å; V185-A188 WeakPolarHBondContact O-CB 3.31Å; V185-A188 PolarHBondContact O-N 3.09Å; V185-A188 VanDerWaalsContact O-N 3.09Å; L186-A188 PolarHBondContact O-N 2.81Å; A188-T190 HydrophobicContact CB-CG2 4.15Å; A188-T190 PolarHBondContact O-N 2.93Å; A188-T199 HydrophobicContact CB-CG2 3.77Å
189	D	86.1	Confident	89.7	Confident	111 Å²	111	63.7 Å²	63.7	59%	0.594	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.2	35.4	177.5	-163.8	47.7	0	0	0	114.8	K191	D189-K191 VanDerWaalsContact O-CE 3.24Å; D189-K191 WeakPolarHBondContact O-CE 3.18Å; D189-K191 WeakPolarHBondContact O-CG 3.48Å; D189-K191 WeakPolarHBondContact OD2-CE 3.22Å; D189-K191 IonicContact OD2-NZ 2.75Å; D189-K191 PolarHBondContact OD2-NZ 3Å
190	T	90.3	Very high	90.1	Very high	11 Å²	11	56.2 Å²	56.2	7%	0.067	29%	0.288	C	S	.	.			trans	-60.4	140.2	179.3	64.8	0	0	0	0	111.2	H169 V185 A188 E195 T199	H169-T190 PolarHBondContact CE1-O 3.3Å; H169-T190 PolarHBondContact NE2-O 3.4Å; H169-T190 PolarHBondContact NE2-OG1 2.99Å; V185-T190 HydrophobicContact CG1-CG2 4.15Å; A188-T190 HydrophobicContact CB-CG2 4.15Å; A188-T190 PolarHBondContact O-N 2.93Å; T190-E195 WeakPolarHBondContact CA-OE2 3.49Å; T190-E195 HydrophobicContact CG2-CG 3.95Å; T190-T199 HydrophobicContact CG2-CG2 4.28Å
191	K	88.2	Confident	90.5	Very high	149 Å²	149	54.9 Å²	54.9	65%	0.648	28%	0.281	S	S	*	.			trans	-116.6	-4.3	-167.9	-50.3	-162.4	-179.6	-157.4	0	114.5	D189 E195	D189-K191 VanDerWaalsContact O-CE 3.24Å; D189-K191 WeakPolarHBondContact O-CE 3.18Å; D189-K191 WeakPolarHBondContact O-CG 3.48Å; D189-K191 WeakPolarHBondContact OD2-CE 3.22Å; D189-K191 IonicContact OD2-NZ 2.75Å; D189-K191 PolarHBondContact OD2-NZ 3Å; K191-E195 PolarHBondContact N-OE2 2.84Å
192	S	92.2	Very high	90.4	Very high	34 Å²	34	60.1 Å²	60.1	24%	0.238	31%	0.305	C	S	.	.	S	Bend	trans	-141.6	155.1	176	59.6	0	0	0	0	110.7	D165 H169 A194 E195 A196	D165-S192 VanDerWaalsContact OD2-CA 3.23Å; D165-S192 WeakPolarHBondContact OD2-CA 3.18Å; D165-S192 VanDerWaalsContact OD2-CB 3.29Å; D165-S192 WeakPolarHBondContact OD2-CB 3.43Å; H169-S192 VanDerWaalsContact CD2-C 3.5Å; H169-S192 PolarHBondContact CD2-O 2.85Å; S192-A194 VanDerWaalsContact C-N 3.26Å; S192-A194 PolarHBondContact O-N 3.48Å; S192-E195 WeakPolarHBondContact O-CB 3.34Å; S192-E195 PolarHBondContact O-N 3.38Å; S192-E195 VanDerWaalsContact OG-CB 3.27Å; S192-E195 WeakPolarHBondContact OG-CB 3.39Å; S192-E195 PolarHBondContact OG-N 2.8Å; S192-A196 PolarHBondContact O-N 3.01Å
193	F	94.8	Very high	90.3	Very high	3 Å²	3	60.4 Å²	60.4	1%	0.013	31%	0.305	C	S	.	.	H	α-helix	trans	-58.2	-40.5	175.6	173.1	-109.4	0	0	0	111.6	A151 L154 R155 D165 L168 H169 F172 E195 A196 V197	A151-F193 HydrophobicContact CB-CE2 4.47Å; A151-F193 HydrophobicContact CB-CZ 3.79Å; A151-F193 WeakPolarHBondContact O-CZ 3.07Å; L154-F193 HydrophobicContact CB-CE2 4.38Å; L154-F193 HydrophobicContact CB-CZ 4.27Å; L154-F193 HydrophobicContact CD1-CE2 4.28Å; R155-F193 HydrophobicContact CG-CE1 3.59Å; R155-F193 HydrophobicContact CG-CZ 4.22Å; D165-F193 PolarHBondContact OD2-N 3.23Å; L168-F193 HydrophobicContact CB-CB 3.87Å; L168-F193 HydrophobicContact CB-CD1 4.27Å; L168-F193 HydrophobicContact CB-CD2 3.87Å; L168-F193 HydrophobicContact CB-CE2 4.48Å; L168-F193 HydrophobicContact CB-CG 3.74Å; L168-F193 WeakPolarHBondContact O-CD2 3.46Å; H169-F193 HydrophobicContact CB-CB 4.25Å; F172-F193 HydrophobicContact CB-CD2 3.82Å; F172-F193 HydrophobicContact CB-CE2 3.75Å; F172-F193 AromaticContact CD2-CE2 3.78Å; F172-F193 HydrophobicContact CD2-CE2 3.78Å; F172-F193 HydrophobicContact CG-CD2 4.18Å; F172-F193 AromaticContact CG-CE2 3.88Å; F172-F193 HydrophobicContact CG-CE2 3.88Å; F193-E195 PolarHBondContact O-N 3.12Å; F193-A196 PolarHBondContact O-N 3.41Å; F193-V197 HydrophobicContact CD2-CG2 4.26Å; F193-V197 HydrophobicContact CE1-CG2 4.31Å; F193-V197 HydrophobicContact CE2-CG2 3.9Å; F193-V197 HydrophobicContact CZ-CG2 3.92Å; F193-V197 VanDerWaalsContact O-CG2 3.3Å; F193-V197 WeakPolarHBondContact O-CG2 3.39Å; F193-V197 PolarHBondContact O-N 3.35Å
194	A	91.2	Very high	90.4	Very high	44 Å²	44	62.8 Å²	62.8	36%	0.364	31%	0.31	S	S	.	.	H	α-helix	trans	-66.9	-18.9	176.2	0	0	0	0	0	114.3	S192 R198	S192-A194 VanDerWaalsContact C-N 3.26Å; S192-A194 PolarHBondContact O-N 3.48Å; A194-R198 PolarHBondContact O-NE 3.05Å
195	E	92.4	Very high	90.1	Very high	70 Å²	70	63.4 Å²	63.4	33%	0.327	32%	0.319	S	S	.	.	H	α-helix	trans	-87.6	-46.1	173	-171.5	172.3	-137.4	0	0	111.2	T190 K191 S192 F193 V197 R198 T199	T190-E195 WeakPolarHBondContact CA-OE2 3.49Å; T190-E195 HydrophobicContact CG2-CG 3.95Å; K191-E195 PolarHBondContact N-OE2 2.84Å; S192-E195 WeakPolarHBondContact O-CB 3.34Å; S192-E195 PolarHBondContact O-N 3.38Å; S192-E195 VanDerWaalsContact OG-CB 3.27Å; S192-E195 WeakPolarHBondContact OG-CB 3.39Å; S192-E195 PolarHBondContact OG-N 2.8Å; F193-E195 PolarHBondContact O-N 3.12Å; E195-V197 VanDerWaalsContact C-N 3.29Å; E195-V197 PolarHBondContact O-N 2.98Å; E195-R198 PolarHBondContact O-N 2.65Å; E195-R198 VanDerWaalsContact O-N 3.08Å; E195-T199 PolarHBondContact O-N 3.15Å; E195-T199 PolarHBondContact O-OG1 3.46Å
196	A	94.4	Very high	89.6	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-55.7	-42.2	174.9	0	0	0	0	0	112.5	F172 L173 V185 S192 F193 T199 A200	F172-A196 HydrophobicContact CD1-CB 3.76Å; F172-A196 HydrophobicContact CE1-CB 4.04Å; L173-A196 HydrophobicContact CD2-CB 4.45Å; V185-A196 HydrophobicContact CG1-CB 4.13Å; S192-A196 PolarHBondContact O-N 3.01Å; F193-A196 PolarHBondContact O-N 3.41Å; A196-T199 PolarHBondContact O-N 2.72Å; A196-A200 WeakPolarHBondContact O-CB 3.41Å; A196-A200 PolarHBondContact O-N 3.01Å
197	V	94.9	Very high	89.3	Confident	13 Å²	13	66.3 Å²	66.3	8%	0.079	33%	0.331	C	S	.	.	H	α-helix	trans	-63.4	-41.4	175.9	172.9	0	0	0	0	112.1	A151 F172 F193 E195 K201	A151-V197 HydrophobicContact CB-CG1 4.23Å; A151-V197 HydrophobicContact CB-CG2 3.7Å; F172-V197 HydrophobicContact CD1-CG2 4.45Å; F172-V197 HydrophobicContact CD2-CG2 4.16Å; F172-V197 HydrophobicContact CE1-CG2 4.06Å; F172-V197 HydrophobicContact CE2-CG2 3.76Å; F172-V197 HydrophobicContact CG-CG2 4.5Å; F172-V197 HydrophobicContact CZ-CB 4.31Å; F172-V197 HydrophobicContact CZ-CG2 3.71Å; F193-V197 HydrophobicContact CD2-CG2 4.26Å; F193-V197 HydrophobicContact CE1-CG2 4.31Å; F193-V197 HydrophobicContact CE2-CG2 3.9Å; F193-V197 HydrophobicContact CZ-CG2 3.92Å; F193-V197 VanDerWaalsContact O-CG2 3.3Å; F193-V197 WeakPolarHBondContact O-CG2 3.39Å; F193-V197 PolarHBondContact O-N 3.35Å; E195-V197 VanDerWaalsContact C-N 3.29Å; E195-V197 PolarHBondContact O-N 2.98Å; V197-K201 WeakPolarHBondContact O-CG 3.47Å; V197-K201 PolarHBondContact O-N 3.48Å; V197-K201 VanDerWaalsContact O-N 3.08Å
198	R	92.7	Very high	88.7	Confident	164 Å²	164	65.3 Å²	65.3	62%	0.619	32%	0.323	S	S	*	.	H	α-helix	trans	-65.1	-44	176.6	-80.8	-179.9	-71.8	157	1.7	111.6	A194 E195 K201 H202	A194-R198 PolarHBondContact O-NE 3.05Å; E195-R198 PolarHBondContact O-N 2.65Å; E195-R198 VanDerWaalsContact O-N 3.08Å; R198-K201 PolarHBondContact O-N 3.4Å; R198-H202 PolarHBondContact O-N 3.08Å
199	T	92.2	Very high	88.2	Confident	28 Å²	28	67.4 Å²	67.4	17%	0.172	33%	0.328	C	S	.	.	H	α-helix	trans	-66.2	-39.9	178.7	-56.8	0	0	0	0	111.8	V185 A188 T190 E195 A196 H202 F203	V185-T199 HydrophobicContact CB-CG2 4.36Å; V185-T199 HydrophobicContact CG1-CG2 4.26Å; V185-T199 HydrophobicContact CG2-CG2 4.03Å; A188-T199 HydrophobicContact CB-CG2 3.77Å; T190-T199 HydrophobicContact CG2-CG2 4.28Å; E195-T199 PolarHBondContact O-N 3.15Å; E195-T199 PolarHBondContact O-OG1 3.46Å; A196-T199 PolarHBondContact O-N 2.72Å; T199-H202 PolarHBondContact O-N 2.82Å; T199-F203 HydrophobicContact CG2-CD2 3.89Å; T199-F203 HydrophobicContact CG2-CE2 3.58Å; T199-F203 VanDerWaalsContact O-CD2 3.26Å; T199-F203 WeakPolarHBondContact O-CD2 3.46Å; T199-F203 PolarHBondContact O-N 3.1Å; T199-F203 VanDerWaalsContact O-N 3.12Å
200	A	93.5	Very high	87.5	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-62.3	-46.8	175.5	0	0	0	0	0	111.8	L147 F172 I176 I181 V185 A196 H202 F203 H204	L147-A200 HydrophobicContact CD1-CB 3.91Å; L147-A200 HydrophobicContact CD2-CB 4.22Å; F172-A200 HydrophobicContact CE1-CB 3.89Å; F172-A200 HydrophobicContact CZ-CB 3.88Å; I176-A200 HydrophobicContact CD1-CB 4.41Å; I181-A200 HydrophobicContact CG2-CB 4.06Å; V185-A200 HydrophobicContact CG2-CB 3.84Å; A196-A200 WeakPolarHBondContact O-CB 3.41Å; A196-A200 PolarHBondContact O-N 3.01Å; A200-H202 VanDerWaalsContact C-N 3.3Å; A200-H202 PolarHBondContact O-N 3.32Å; A200-F203 PolarHBondContact O-N 3.3Å; A200-H204 WeakPolarHBondContact O-CB 3.12Å; A200-H204 PolarHBondContact O-N 3.11Å
201	K	91.7	Very high	86.4	Confident	83 Å²	83	67.5 Å²	67.5	36%	0.361	33%	0.33	S	S	.	.	H	α-helix	trans	-57.9	-40.8	174.1	-74.9	-172.4	-179.7	-152.4	0	112.6	E148 V197 R198 H204 A205	E148-K201 VanDerWaalsContact CG-NZ 3.33Å; E148-K201 WeakPolarHBondContact OE1-CE 3.34Å; E148-K201 IonicContact OE1-NZ 2.61Å; E148-K201 PolarHBondContact OE1-NZ 3.07Å; E148-K201 IonicContact OE2-NZ 3.97Å; V197-K201 WeakPolarHBondContact O-CG 3.47Å; V197-K201 PolarHBondContact O-N 3.48Å; V197-K201 VanDerWaalsContact O-N 3.08Å; R198-K201 PolarHBondContact O-N 3.4Å; K201-H204 PolarHBondContact O-N 2.9Å; K201-A205 WeakPolarHBondContact O-CB 3.4Å; K201-A205 PolarHBondContact O-N 3.5Å
202	H	89.5	Confident	85.3	Confident	117 Å²	117	64.5 Å²	64.5	54%	0.542	32%	0.318	S	S	.	.	H	α-helix	trans	-61.4	-50	177.9	-179.9	66.5	0	0	0	111.8	R198 T199 A200 H204 A205 V206	R198-H202 PolarHBondContact O-N 3.08Å; T199-H202 PolarHBondContact O-N 2.82Å; A200-H202 VanDerWaalsContact C-N 3.3Å; A200-H202 PolarHBondContact O-N 3.32Å; H202-H204 VanDerWaalsContact C-N 3.34Å; H202-H204 PolarHBondContact O-N 2.87Å; H202-A205 PolarHBondContact O-N 3.38Å; H202-V206 WeakPolarHBondContact O-CG2 3.46Å; H202-V206 PolarHBondContact O-N 3.02Å
203	F	90.2	Very high	83.9	Confident	57 Å²	57	68.5 Å²	68.5	25%	0.25	34%	0.335	C	S	.	.	H	α-helix	trans	-65.7	-35	177.6	-73.2	-63.3	0	0	0	113.1	I181 N184 V185 T199 A200 V206 R207	I181-F203 HydrophobicContact CG1-CB 4.31Å; I181-F203 HydrophobicContact CG2-CB 4.35Å; N184-F203 HydrophobicContact CB-CD1 3.89Å; N184-F203 HydrophobicContact CB-CD2 3.67Å; N184-F203 HydrophobicContact CB-CE1 3.86Å; N184-F203 HydrophobicContact CB-CE2 3.63Å; N184-F203 HydrophobicContact CB-CG 3.81Å; N184-F203 HydrophobicContact CB-CZ 3.75Å; V185-F203 HydrophobicContact CG2-CD2 4.4Å; T199-F203 HydrophobicContact CG2-CD2 3.89Å; T199-F203 HydrophobicContact CG2-CE2 3.58Å; T199-F203 VanDerWaalsContact O-CD2 3.26Å; T199-F203 WeakPolarHBondContact O-CD2 3.46Å; T199-F203 PolarHBondContact O-N 3.1Å; T199-F203 VanDerWaalsContact O-N 3.12Å; A200-F203 PolarHBondContact O-N 3.3Å; F203-V206 PolarHBondContact O-N 2.89Å; F203-R207 PolarHBondContact O-N 2.82Å
204	H	87.9	Confident	82	Confident	88 Å²	88	74.9 Å²	74.9	41%	0.407	37%	0.365	S	S	.	.	H	α-helix	trans	-62.9	-41.6	173.3	-167.1	-49.4	0	0	0	112.4	L147 I181 A200 K201 H202 R208	L147-H204 HydrophobicContact CD1-CB 3.82Å; I181-H204 HydrophobicContact CD1-CB 3.83Å; A200-H204 WeakPolarHBondContact O-CB 3.12Å; A200-H204 PolarHBondContact O-N 3.11Å; K201-H204 PolarHBondContact O-N 2.9Å; H202-H204 VanDerWaalsContact C-N 3.34Å; H202-H204 PolarHBondContact O-N 2.87Å; H204-R208 WeakPolarHBondContact O-CB 2.99Å; H204-R208 PolarHBondContact O-N 2.99Å
205	A	81.9	Confident	80.1	Confident	48 Å²	48	76.1 Å²	76.1	40%	0.397	37%	0.371	S	S	.	.	H	α-helix	trans	-67.2	-41.1	176.1	0	0	0	0	0	111.8	K201 H202 N209	K201-A205 WeakPolarHBondContact O-CB 3.4Å; K201-A205 PolarHBondContact O-N 3.5Å; H202-A205 PolarHBondContact O-N 3.38Å; A205-N209 VanDerWaalsContact O-CG 3.22Å; A205-N209 PolarHBondContact O-N 3.44Å; A205-N209 PolarHBondContact O-OD1 3.2Å
206	V	80.5	Confident	78	Confident	74 Å²	74	76.4 Å²	76.4	45%	0.448	38%	0.379	S	S	.	.	H	α-helix	trans	-61.1	-45.8	175.6	170.4	0	0	0	0	111.4	H202 F203 N209 A210	H202-V206 WeakPolarHBondContact O-CG2 3.46Å; H202-V206 PolarHBondContact O-N 3.02Å; F203-V206 PolarHBondContact O-N 2.89Å; V206-N209 PolarHBondContact O-N 3.11Å; V206-A210 PolarHBondContact O-N 3.47Å
207	R	79.4	Confident	75.7	Confident	90 Å²	90	83.6 Å²	83.6	34%	0.34	41%	0.413	S	S	.	.	H	α-helix	trans	-69	-41.2	-179.8	-149.9	-172.4	84.7	-168	-3.1	112.3	D178 E180 F203 N209 A210 E211	D178-R207 IonicContact OD1-NH1 2.85Å; D178-R207 IonicContact OD2-CZ 3.2Å; D178-R207 IonicContact OD2-NH1 2.83Å; D178-R207 PolarHBondContact OD2-NH1 3.11Å; D178-R207 IonicContact OD2-NH2 3.87Å; E180-R207 VanDerWaalsContact OE2-CD 3.27Å; E180-R207 WeakPolarHBondContact OE2-CD 3.23Å; F203-R207 PolarHBondContact O-N 2.82Å; R207-N209 VanDerWaalsContact C-N 3.32Å; R207-N209 PolarHBondContact O-N 3Å; R207-A210 WeakPolarHBondContact O-CA 3.44Å; R207-A210 WeakPolarHBondContact O-CB 3.29Å; R207-A210 PolarHBondContact O-N 3.18Å; R207-E211 IonicContact CZ-OE1 2.67Å; R207-E211 IonicContact NE-OE1 3.47Å; R207-E211 PolarHBondContact NE-OE1 2.81Å; R207-E211 IonicContact NH2-OE1 3.42Å; R207-E211 PolarHBondContact NH2-OE1 3.48Å; R207-E211 WeakPolarHBondContact O-CG 3.4Å; R207-E211 PolarHBondContact O-N 3.24Å
208	R	74.1	Confident	73	Confident	139 Å²	139	86.4 Å²	86.4	53%	0.525	44%	0.437	S	S	.	.	H	α-helix	trans	-56.8	-45	174.9	-179.9	176.7	170.5	155.1	6.4	111.9	H204 A210 E211 E212	H204-R208 WeakPolarHBondContact O-CB 2.99Å; H204-R208 PolarHBondContact O-N 2.99Å; R208-A210 VanDerWaalsContact C-N 3.26Å; R208-A210 PolarHBondContact O-N 2.7Å; R208-E211 PolarHBondContact O-N 3.26Å; R208-E212 HydrophobicContact CG-CG 4.44Å; R208-E212 IonicContact CZ-OE1 3.23Å; R208-E212 VanDerWaalsContact CZ-OE1 3.23Å; R208-E212 IonicContact NE-OE1 2.73Å; R208-E212 PolarHBondContact NE-OE1 2.9Å; R208-E212 IonicContact NH2-OE1 2.82Å; R208-E212 PolarHBondContact NH2-OE1 2.75Å; R208-E212 WeakPolarHBondContact O-CB 3.38Å; R208-E212 WeakPolarHBondContact O-CG 3.39Å; R208-E212 PolarHBondContact O-N 3.07Å
209	N	73.7	Confident	70.5	Confident	93 Å²	93	82.2 Å²	82.2	50%	0.497	43%	0.433	S	S	.	.	H	α-helix	trans	-63.3	-32.9	176.8	-67.8	1.7	0	0	0	112.3	A205 V206 R207 M213	A205-N209 VanDerWaalsContact O-CG 3.22Å; A205-N209 PolarHBondContact O-N 3.44Å; A205-N209 PolarHBondContact O-OD1 3.2Å; V206-N209 PolarHBondContact O-N 3.11Å; R207-N209 VanDerWaalsContact C-N 3.32Å; R207-N209 PolarHBondContact O-N 3Å; N209-M213 WeakPolarHBondContact O-CG 3.31Å; N209-M213 PolarHBondContact O-N 3.08Å
210	A	71.1	Confident	67.7	Low	35 Å²	35	88.2 Å²	88.2	29%	0.289	46%	0.464	S	S	.	.	H	α-helix	trans	-72.9	-39.6	175.5	0	0	0	0	0	112.5	V206 R207 R208 M213 Q214	V206-A210 PolarHBondContact O-N 3.47Å; R207-A210 WeakPolarHBondContact O-CA 3.44Å; R207-A210 WeakPolarHBondContact O-CB 3.29Å; R207-A210 PolarHBondContact O-N 3.18Å; R208-A210 VanDerWaalsContact C-N 3.26Å; R208-A210 PolarHBondContact O-N 2.7Å; A210-M213 PolarHBondContact O-N 2.72Å; A210-Q214 WeakPolarHBondContact O-CG 3.47Å; A210-Q214 PolarHBondContact O-N 2.81Å
211	E	67.3	Low	64.8	Low	89 Å²	89	93.4 Å²	93.4	42%	0.416	50%	0.501	S	S	.	.	H	α-helix	trans	-63.5	-45.1	173.2	-70.6	168.3	168.1	0	0	111.4	R207 R208 Q214 S215	R207-E211 IonicContact CZ-OE1 2.67Å; R207-E211 IonicContact NE-OE1 3.47Å; R207-E211 PolarHBondContact NE-OE1 2.81Å; R207-E211 IonicContact NH2-OE1 3.42Å; R207-E211 PolarHBondContact NH2-OE1 3.48Å; R207-E211 WeakPolarHBondContact O-CG 3.4Å; R207-E211 PolarHBondContact O-N 3.24Å; R208-E211 PolarHBondContact O-N 3.26Å; E211-Q214 PolarHBondContact O-N 3.4Å; E211-S215 WeakPolarHBondContact O-CB 3.37Å; E211-S215 PolarHBondContact O-N 2.92Å
212	E	66.4	Low	62	Low	85 Å²	85	94.5 Å²	94.5	40%	0.397	52%	0.519	S	S	.	.	H	α-helix	trans	-61.1	-46	175.5	-73.6	176.5	-179.9	0	0	110.6	R208 Q214 S215 C216	R208-E212 HydrophobicContact CG-CG 4.44Å; R208-E212 IonicContact CZ-OE1 3.23Å; R208-E212 VanDerWaalsContact CZ-OE1 3.23Å; R208-E212 IonicContact NE-OE1 2.73Å; R208-E212 PolarHBondContact NE-OE1 2.9Å; R208-E212 IonicContact NH2-OE1 2.82Å; R208-E212 PolarHBondContact NH2-OE1 2.75Å; R208-E212 WeakPolarHBondContact O-CB 3.38Å; R208-E212 WeakPolarHBondContact O-CG 3.39Å; R208-E212 PolarHBondContact O-N 3.07Å; E212-Q214 PolarHBondContact O-N 3.2Å; E212-S215 PolarHBondContact O-N 3.03Å; E212-S215 PolarHBondContact O-OG 3.27Å; E212-C216 PolarHBondContact O-N 2.81Å; E212-C216 PolarHBondContact O-SG 3.07Å; E212-C216 VanDerWaalsContact O-SG 3.33Å
213	M	61.5	Low	59	Low	119 Å²	119	92.5 Å²	92.5	59%	0.586	53%	0.53	S	S	*	.	H	α-helix	trans	-59.5	-42.5	173.2	-77.4	-167.9	-57.4	0	0	113.6	N209 A210 S215 C216 Q217	N209-M213 WeakPolarHBondContact O-CG 3.31Å; N209-M213 PolarHBondContact O-N 3.08Å; A210-M213 PolarHBondContact O-N 2.72Å; M213-S215 VanDerWaalsContact C-N 3.35Å; M213-C216 PolarHBondContact O-N 2.72Å; M213-Q217 WeakPolarHBondContact O-CG 3.18Å; M213-Q217 PolarHBondContact O-N 2.92Å
214	Q	55.4	Low	56.1	Low	137 Å²	137	100.7 Å²	100.7	64%	0.64	56%	0.559	S	S	*	*	H	α-helix	trans	-66.9	-35.9	177.6	-76.1	-178.4	-0.3	0	0	112.2	A210 E211 E212 Q217 A218	A210-Q214 WeakPolarHBondContact O-CG 3.47Å; A210-Q214 PolarHBondContact O-N 2.81Å; E211-Q214 PolarHBondContact O-N 3.4Å; E212-Q214 PolarHBondContact O-N 3.2Å; Q214-Q217 PolarHBondContact O-N 3.41Å; Q214-A218 PolarHBondContact O-N 3.21Å
215	S	50.6	Low	53.2	Low	70 Å²	70	106.2 Å²	106.2	49%	0.49	58%	0.578	S	S	.	*	H	α-helix	trans	-64	-42.8	174.9	77.4	0	0	0	0	111.9	E211 E212 M213 Q217 A218 S219	E211-S215 WeakPolarHBondContact O-CB 3.37Å; E211-S215 PolarHBondContact O-N 2.92Å; E212-S215 PolarHBondContact O-N 3.03Å; E212-S215 PolarHBondContact O-OG 3.27Å; M213-S215 VanDerWaalsContact C-N 3.35Å; S215-Q217 PolarHBondContact O-N 2.94Å; S215-A218 PolarHBondContact O-N 2.99Å; S215-S219 PolarHBondContact O-N 2.89Å; S215-S219 PolarHBondContact O-OG 3.3Å
216	C	49.7	Very low	50.7	Low	75 Å²	75	109.8 Å²	109.8	51%	0.507	60%	0.595	S	S	.	*	H	α-helix	trans	-63.9	-40.4	175.8	-66.1	0	0	0	0	112.1	E212 M213 A218 S219	E212-C216 PolarHBondContact O-N 2.81Å; E212-C216 PolarHBondContact O-SG 3.07Å; E212-C216 VanDerWaalsContact O-SG 3.33Å; M213-C216 PolarHBondContact O-N 2.72Å; C216-A218 VanDerWaalsContact C-N 3.29Å; C216-A218 PolarHBondContact O-N 2.87Å; C216-S219 WeakPolarHBondContact CA-OG 3.25Å; C216-S219 PolarHBondContact O-N 2.94Å; C216-S219 PolarHBondContact O-OG 2.85Å
217	Q	44.6	Very low	48.4	Very low	151 Å²	151	113.3 Å²	113.3	71%	0.706	61%	0.611	S	S	*	*	H	α-helix	trans	-70	-23.4	177.3	-72.9	-179.8	-2.2	0	0	113.4	M213 Q214 S215	M213-Q217 WeakPolarHBondContact O-CG 3.18Å; M213-Q217 PolarHBondContact O-N 2.92Å; Q214-Q217 PolarHBondContact O-N 3.41Å; S215-Q217 PolarHBondContact O-N 2.94Å
218	A	40	Very low	46.1	Very low	72 Å²	72	116.1 Å²	116.1	60%	0.595	63%	0.626	S	S	*	*	H	α-helix	trans	-77.1	-29.3	173	0	0	0	0	0	113	Q214 S215 C216	Q214-A218 PolarHBondContact O-N 3.21Å; S215-A218 PolarHBondContact O-N 2.99Å; C216-A218 VanDerWaalsContact C-N 3.29Å; C216-A218 PolarHBondContact O-N 2.87Å
219	S	38.3	Very low	44.1	Very low	77 Å²	77	115.1 Å²	115.1	54%	0.538	63%	0.627	S	S	.	*	H	α-helix	trans	-79.4	-19	-177.5	43.9	0	0	0	0	115.7	S215 C216 S221	S215-S219 PolarHBondContact O-N 2.89Å; S215-S219 PolarHBondContact O-OG 3.3Å; C216-S219 WeakPolarHBondContact CA-OG 3.25Å; C216-S219 PolarHBondContact O-N 2.94Å; C216-S219 PolarHBondContact O-OG 2.85Å; S219-S221 PolarHBondContact O-N 3.36Å
220	D	33.6	Very low	42.1	Very low	153 Å²	153	120.6 Å²	120.6	82%	0.818	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	25	-172	-96.1	-16.7	0	0	0	115.2
221	S	34.4	Very low	40.2	Very low	109 Å²	109	124.4 Å²	124.4	76%	0.762	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.4	8.3	-178.1	58.8	0	0	0	0	115.6	S219	S219-S221 PolarHBondContact O-N 3.36Å
222	S	31.3	Very low	38.4	Very low	107 Å²	107	124.7 Å²	124.7	75%	0.748	67%	0.672	S	S	*	*	S	Bend	trans	-149	71.5	173.2	67.7	0	0	0	0	116.1
223	G	28	Very low	36.7	Very low	75 Å²	75	128.5 Å²	128.5	77%	0.773	70%	0.695	S	S	*	*			trans	38	132.1	145.1	0	0	0	0	0	124.4
224	R	27.9	Very low	35.1	Very low	228 Å²	228	126.2 Å²	126.2	86%	0.86	70%	0.702	S	S	*	*			trans	101.8	111.9	141.1	-70.8	-176.6	173.9	176.3	-0.3	121.4
225	Y	27.3	Very low	33.9	Very low	205 Å²	205	125 Å²	125	80%	0.804	71%	0.707	S	S	*	*			trans	94.3	123.5	133.1	-82.5	-57.8	0	0	0	123.4
226	V	30.5	Very low	33	Very low	123 Å²	123	126.2 Å²	126.2	75%	0.745	72%	0.716	S	S	*	*			trans	63	90.4	156.3	-167.9	0	0	0	0	117.6
227	N	31.9	Very low	32.5	Very low	148 Å²	148	128.6 Å²	128.6	79%	0.791	72%	0.724	S	S	*	*				71.2	147	64.7	-158.5	12.2	0	0	0	115.8
228	K	31	Very low	32.2	Very low	149 Å²	149	125.4 Å²	125.4	65%	0.648	72%	0.723	S	S	*	*			trans	79.3	139.7	-178.5	-66.3	174.8	156.3	-90.9	0	116.3
229	E	31	Very low	32.3	Very low	117 Å²	117	131.8 Å²	131.8	55%	0.547	73%	0.731	S	S	.	*			cis	-154.9	145.2	-7	-125.9	156.9	-179.4	0	0	113.2
230	R	32.1	Very low	32.5	Very low	209 Å²	209	133.7 Å²	133.7	79%	0.789	73%	0.732	S	S	*	*			trans	37.2	145.6	135.6	-71.9	179.8	175.2	163.4	-5.7	120.7
231	T	31.3	Very low	33.1	Very low	115 Å²	115	128.1 Å²	128.1	71%	0.706	71%	0.711	S	S	*	*			cis	-165.5	156.1	22.9	-9.3	0	0	0	0	112.9
232	S	30.2	Very low	33.9	Very low	95 Å²	95	125.7 Å²	125.7	66%	0.664	70%	0.697	S	S	*	*			trans	62.9	148.5	146.6	65	0	0	0	0	120.4
233	N	30.2	Very low	34.7	Very low	165 Å²	165	125.8 Å²	125.8	88%	0.882	69%	0.689	S	S	*	*			cis	-161.3	152.5	-9.6	-110.6	-8	0	0	0	111.1
234	G	28	Very low	36.1	Very low	71 Å²	71	127.7 Å²	127.7	73%	0.732	68%	0.678	S	S	*	*			trans	104.2	137.2	145.5	0	0	0	0	0	119.6
235	C	30.9	Very low	37.7	Very low	110 Å²	110	118.6 Å²	118.6	74%	0.743	65%	0.651	S	S	*	*			trans	70.9	29.7	161.5	-144.5	0	0	0	0	119.1
236	S	31.6	Very low	39.1	Very low	96 Å²	96	110.8 Å²	110.8	67%	0.671	63%	0.629	S	S	*	*			trans	-85.2	129.7	158.6	52.9	0	0	0	0	111.4
237	N	39.4	Very low	40.5	Very low	126 Å²	126	108.9 Å²	108.9	67%	0.674	61%	0.614	S	S	*	*	S	Bend	trans	143.8	-56	159.8	-77.6	-5.3	0	0	0	110.8	R239 Q240 G241	N237-R239 PolarHBondContact O-N 3.49Å; N237-Q240 PolarHBondContact O-N 3.23Å; N237-G241 PolarHBondContact O-N 3.46Å
238	A	37.9	Very low	42.2	Very low	83 Å²	83	110.5 Å²	110.5	69%	0.686	61%	0.609	S	S	*	*	H	α-helix	trans	-61.7	-42	-177.9	0	0	0	0	0	113.1	Q240 A242	A238-Q240 VanDerWaalsContact C-N 3.34Å; A238-Q240 PolarHBondContact O-N 2.97Å; A238-A242 WeakPolarHBondContact O-CB 3.15Å; A238-A242 PolarHBondContact O-N 3.02Å
239	R	41.4	Very low	43.7	Very low	206 Å²	206	111.4 Å²	111.4	78%	0.777	61%	0.608	S	S	*	*	H	α-helix	trans	-68.5	-29.9	177.1	-81.5	-178.8	170.2	164.6	-2.3	113.6	N237 L243	N237-R239 PolarHBondContact O-N 3.49Å; R239-L243 WeakPolarHBondContact O-CB 3.27Å; R239-L243 PolarHBondContact O-N 3.02Å
240	Q	42.9	Very low	44.8	Very low	117 Å²	117	111.4 Å²	111.4	55%	0.547	61%	0.611	S	S	.	*	H	α-helix	trans	-76.3	-49.1	-176.6	-164.7	159.7	-15.1	0	0	110.5	N237 A238 A242 L243 E244	N237-Q240 PolarHBondContact O-N 3.23Å; A238-Q240 VanDerWaalsContact C-N 3.34Å; A238-Q240 PolarHBondContact O-N 2.97Å; Q240-A242 VanDerWaalsContact C-N 3.28Å; Q240-A242 PolarHBondContact O-N 3.13Å; Q240-L243 PolarHBondContact O-N 3.06Å; Q240-L243 VanDerWaalsContact O-N 3.11Å; Q240-E244 WeakPolarHBondContact O-CG 3.5Å; Q240-E244 PolarHBondContact O-N 2.67Å
241	G	45.5	Very low	45.9	Very low	37 Å²	37	106.9 Å²	106.9	38%	0.381	60%	0.599	S	S	.	*	H	α-helix	trans	-61.6	-33.4	170.3	0	0	0	0	0	113.3	N237 A245	N237-G241 PolarHBondContact O-N 3.46Å; G241-A245 WeakPolarHBondContact O-CB 3.33Å; G241-A245 PolarHBondContact O-N 2.84Å
242	A	50.5	Low	47.3	Very low	57 Å²	57	105.9 Å²	105.9	47%	0.471	59%	0.59	S	S	.	*	H	α-helix	trans	-68	-36.2	173.3	0	0	0	0	0	113.1	A238 Q240 A246	A238-A242 WeakPolarHBondContact O-CB 3.15Å; A238-A242 PolarHBondContact O-N 3.02Å; Q240-A242 VanDerWaalsContact C-N 3.28Å; Q240-A242 PolarHBondContact O-N 3.13Å; A242-A246 VanDerWaalsContact O-CB 3.32Å; A242-A246 WeakPolarHBondContact O-CB 3.47Å; A242-A246 PolarHBondContact O-N 3.4Å
243	L	49.2	Very low	48.5	Very low	110 Å²	110	109 Å²	109	58%	0.576	59%	0.587	S	S	*	*	H	α-helix	trans	-71.1	-46	176.6	-175.6	64.4	0	0	0	111.3	R239 Q240 A245 A246 I247	R239-L243 WeakPolarHBondContact O-CB 3.27Å; R239-L243 PolarHBondContact O-N 3.02Å; Q240-L243 PolarHBondContact O-N 3.06Å; Q240-L243 VanDerWaalsContact O-N 3.11Å; L243-A245 VanDerWaalsContact C-N 3.32Å; L243-A245 PolarHBondContact O-N 3.12Å; L243-A246 WeakPolarHBondContact O-CA 3.4Å; L243-A246 WeakPolarHBondContact O-CB 3.18Å; L243-A246 PolarHBondContact O-N 3.36Å; L243-I247 HydrophobicContact CG-CD1 4.19Å; L243-I247 WeakPolarHBondContact O-CG1 3.38Å; L243-I247 PolarHBondContact O-N 3.2Å
244	E	58.2	Low	49.4	Very low	114 Å²	114	107.1 Å²	107.1	53%	0.533	58%	0.576	S	S	.	*	H	α-helix	trans	-61.1	-40.8	173.9	-70.3	169.6	-176	0	0	111.6	Q240 A246 I247 R248	Q240-E244 WeakPolarHBondContact O-CG 3.5Å; Q240-E244 PolarHBondContact O-N 2.67Å; E244-A246 VanDerWaalsContact C-N 3.27Å; E244-A246 PolarHBondContact O-N 2.75Å; E244-I247 PolarHBondContact O-N 2.74Å; E244-R248 WeakPolarHBondContact O-CB 3.35Å; E244-R248 PolarHBondContact O-N 3.43Å
245	A	60.2	Low	50.3	Low	37 Å²	37	106.3 Å²	106.3	31%	0.306	56%	0.563	S	S	.	*	H	α-helix	trans	-73.6	-12.7	173.4	0	0	0	0	0	114.1	G241 L243 R249	G241-A245 WeakPolarHBondContact O-CB 3.33Å; G241-A245 PolarHBondContact O-N 2.84Å; L243-A245 VanDerWaalsContact C-N 3.32Å; L243-A245 PolarHBondContact O-N 3.12Å; A245-R249 WeakPolarHBondContact O-CB 3.39Å; A245-R249 WeakPolarHBondContact O-CG 3.36Å; A245-R249 PolarHBondContact O-N 2.88Å; A245-R249 PolarHBondContact O-NE 2.88Å
246	A	57.9	Low	51	Low	42 Å²	42	107.9 Å²	107.9	35%	0.347	56%	0.559	S	S	.	*	H	α-helix	trans	-87.1	-41.4	170	0	0	0	0	0	110.9	A242 L243 E244 R249 L250	A242-A246 VanDerWaalsContact O-CB 3.32Å; A242-A246 WeakPolarHBondContact O-CB 3.47Å; A242-A246 PolarHBondContact O-N 3.4Å; L243-A246 WeakPolarHBondContact O-CA 3.4Å; L243-A246 WeakPolarHBondContact O-CB 3.18Å; L243-A246 PolarHBondContact O-N 3.36Å; E244-A246 VanDerWaalsContact C-N 3.27Å; E244-A246 PolarHBondContact O-N 2.75Å; A246-R249 CarbonylContact O-C 3.6Å; A246-R249 PolarHBondContact O-N 3.11Å; A246-L250 WeakPolarHBondContact O-CG 3.43Å; A246-L250 PolarHBondContact O-N 3.28Å
247	I	58.8	Low	51.4	Low	83 Å²	83	109.8 Å²	109.8	43%	0.426	56%	0.561	S	S	.	*	H	α-helix	trans	-60.1	-53.1	172.3	-67.6	165.3	0	0	0	109.6	L243 E244 R249 L250 E251	L243-I247 HydrophobicContact CG-CD1 4.19Å; L243-I247 WeakPolarHBondContact O-CG1 3.38Å; L243-I247 PolarHBondContact O-N 3.2Å; E244-I247 PolarHBondContact O-N 2.74Å; I247-R249 PolarHBondContact O-N 3.31Å; I247-L250 CarbonylContact O-C 3.59Å; I247-L250 WeakPolarHBondContact O-CA 3.46Å; I247-L250 WeakPolarHBondContact O-CB 3.45Å; I247-L250 PolarHBondContact O-N 3.48Å; I247-E251 HydrophobicContact CG2-CG 4.42Å; I247-E251 WeakPolarHBondContact O-CG 3.47Å; I247-E251 PolarHBondContact O-N 2.99Å
248	R	67.2	Low	51	Low	181 Å²	181	110.7 Å²	110.7	68%	0.683	56%	0.561	S	S	*	*	H	α-helix	trans	-58.5	-31.2	173.6	-85.3	-174.9	164.1	-169.7	-3.2	113.8	E244 N252	E244-R248 WeakPolarHBondContact O-CB 3.35Å; E244-R248 PolarHBondContact O-N 3.43Å; R248-N252 WeakPolarHBondContact O-CB 3.45Å; R248-N252 PolarHBondContact O-N 3.31Å; R248-N252 PolarHBondContact O-OD1 2.96Å
249	R	63.9	Low	50.7	Low	169 Å²	169	114.4 Å²	114.4	64%	0.638	57%	0.569	S	S	*	*	H	α-helix	trans	-73.9	-29.5	173.8	-90.3	-176.9	-89.7	-158.2	-7	112.9	A245 A246 I247 R253	A245-R249 WeakPolarHBondContact O-CB 3.39Å; A245-R249 WeakPolarHBondContact O-CG 3.36Å; A245-R249 PolarHBondContact O-N 2.88Å; A245-R249 PolarHBondContact O-NE 2.88Å; A246-R249 CarbonylContact O-C 3.6Å; A246-R249 PolarHBondContact O-N 3.11Å; I247-R249 PolarHBondContact O-N 3.31Å; R249-R253 VanDerWaalsContact O-CB 3.3Å; R249-R253 WeakPolarHBondContact O-CB 3.48Å; R249-R253 VanDerWaalsContact O-CG 3.23Å; R249-R253 WeakPolarHBondContact O-CG 3.34Å; R249-R253 PolarHBondContact O-N 2.67Å
250	L	52.6	Low	50.1	Low	116 Å²	116	110.2 Å²	110.2	61%	0.607	57%	0.568	S	S	*	*	H	α-helix	trans	-75.1	-42	172.1	-74.7	170	0	0	0	111.3	A246 I247 R253 L254	A246-L250 WeakPolarHBondContact O-CG 3.43Å; A246-L250 PolarHBondContact O-N 3.28Å; I247-L250 CarbonylContact O-C 3.59Å; I247-L250 WeakPolarHBondContact O-CA 3.46Å; I247-L250 WeakPolarHBondContact O-CB 3.45Å; I247-L250 PolarHBondContact O-N 3.48Å; L250-R253 PolarHBondContact O-N 2.9Å; L250-L254 WeakPolarHBondContact O-CB 3.47Å; L250-L254 PolarHBondContact O-N 2.9Å
251	E	57	Low	49.4	Very low	114 Å²	114	110 Å²	110	53%	0.533	59%	0.586	S	S	.	*	H	α-helix	trans	-61.3	-48.3	173	-67.3	173.6	141.3	0	0	111.3	I247 R253 L254 A255	I247-E251 HydrophobicContact CG2-CG 4.42Å; I247-E251 WeakPolarHBondContact O-CG 3.47Å; I247-E251 PolarHBondContact O-N 2.99Å; E251-R253 PolarHBondContact O-N 3.05Å; E251-L254 WeakPolarHBondContact O-CB 3.33Å; E251-L254 PolarHBondContact O-N 3.32Å; E251-L254 VanDerWaalsContact O-N 3.11Å; E251-A255 PolarHBondContact O-N 3.11Å
252	N	60.7	Low	48.6	Very low	95 Å²	95	111.6 Å²	111.6	51%	0.508	60%	0.603	S	S	.	*	H	α-helix	trans	-62.8	-41.3	175.4	-74.9	2.3	0	0	0	111.7	R248 L254 A255 E256	R248-N252 WeakPolarHBondContact O-CB 3.45Å; R248-N252 PolarHBondContact O-N 3.31Å; R248-N252 PolarHBondContact O-OD1 2.96Å; N252-L254 VanDerWaalsContact C-N 3.27Å; N252-L254 PolarHBondContact O-N 3.15Å; N252-A255 CarbonylContact O-C 3.53Å; N252-A255 WeakPolarHBondContact O-CA 3.3Å; N252-A255 WeakPolarHBondContact O-CB 3.32Å; N252-A255 PolarHBondContact O-N 2.85Å; N252-E256 WeakPolarHBondContact O-CB 3.38Å; N252-E256 VanDerWaalsContact O-CG 3.3Å; N252-E256 WeakPolarHBondContact O-CG 3.47Å; N252-E256 PolarHBondContact O-N 2.97Å
253	R	54.6	Low	47.6	Very low	159 Å²	159	116.4 Å²	116.4	60%	0.6	62%	0.621	S	S	*	*	H	α-helix	trans	-65.3	-29.3	173.7	-76.9	179.9	72.5	-167.7	2.4	113	R249 L250 E251 A255 L257	R249-R253 VanDerWaalsContact O-CB 3.3Å; R249-R253 WeakPolarHBondContact O-CB 3.48Å; R249-R253 VanDerWaalsContact O-CG 3.23Å; R249-R253 WeakPolarHBondContact O-CG 3.34Å; R249-R253 PolarHBondContact O-N 2.67Å; L250-R253 PolarHBondContact O-N 2.9Å; E251-R253 PolarHBondContact O-N 3.05Å; R253-A255 VanDerWaalsContact C-N 3.28Å; R253-L257 WeakPolarHBondContact O-CB 3.48Å; R253-L257 WeakPolarHBondContact O-CD1 3.38Å; R253-L257 WeakPolarHBondContact O-CG 3.33Å; R253-L257 PolarHBondContact O-N 3.27Å
254	L	48	Very low	46.6	Very low	127 Å²	127	118.2 Å²	118.2	67%	0.665	63%	0.631	S	S	*	*	H	α-helix	trans	-72.2	-23.3	173.2	-156	74.5	0	0	0	112.4	L250 E251 N252 Q258	L250-L254 WeakPolarHBondContact O-CB 3.47Å; L250-L254 PolarHBondContact O-N 2.9Å; E251-L254 WeakPolarHBondContact O-CB 3.33Å; E251-L254 PolarHBondContact O-N 3.32Å; E251-L254 VanDerWaalsContact O-N 3.11Å; N252-L254 VanDerWaalsContact C-N 3.27Å; N252-L254 PolarHBondContact O-N 3.15Å; L254-Q258 PolarHBondContact O-NE2 2.94Å
255	A	48.6	Very low	45	Very low	54 Å²	54	118.4 Å²	118.4	45%	0.446	65%	0.645	S	S	.	*	H	α-helix	trans	-84.9	-41.6	170	0	0	0	0	0	112.5	E251 N252 R253 L257 Q258	E251-A255 PolarHBondContact O-N 3.11Å; N252-A255 CarbonylContact O-C 3.53Å; N252-A255 WeakPolarHBondContact O-CA 3.3Å; N252-A255 WeakPolarHBondContact O-CB 3.32Å; N252-A255 PolarHBondContact O-N 2.85Å; R253-A255 VanDerWaalsContact C-N 3.28Å; A255-L257 VanDerWaalsContact C-N 3.26Å; A255-L257 PolarHBondContact O-N 3.49Å; A255-Q258 VanDerWaalsContact O-CB 3.25Å; A255-Q258 WeakPolarHBondContact O-CB 3.28Å; A255-Q258 PolarHBondContact O-N 2.99Å
256	E	44.9	Very low	43.4	Very low	142 Å²	142	122.3 Å²	122.3	66%	0.664	67%	0.665	S	S	*	*	H	α-helix	trans	-65	-27.2	177	-71.1	166.1	174.8	0	0	112.7	N252 Q258	N252-E256 WeakPolarHBondContact O-CB 3.38Å; N252-E256 VanDerWaalsContact O-CG 3.3Å; N252-E256 WeakPolarHBondContact O-CG 3.47Å; N252-E256 PolarHBondContact O-N 2.97Å; E256-Q258 PolarHBondContact O-N 2.82Å
257	L	40.7	Very low	41.8	Very low	137 Å²	137	126.1 Å²	126.1	72%	0.717	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.2	-0.2	171.4	-72.3	169.6	0	0	0	113.5	R253 A255 L259	R253-L257 WeakPolarHBondContact O-CB 3.48Å; R253-L257 WeakPolarHBondContact O-CD1 3.38Å; R253-L257 WeakPolarHBondContact O-CG 3.33Å; R253-L257 PolarHBondContact O-N 3.27Å; A255-L257 VanDerWaalsContact C-N 3.26Å; A255-L257 PolarHBondContact O-N 3.49Å; L257-L259 PolarHBondContact O-N 3.33Å
258	Q	31.1	Very low	40.3	Very low	145 Å²	145	129.4 Å²	129.4	68%	0.678	71%	0.705	S	S	*	*	S	Bend	trans	-88.8	96.2	169.6	-54.9	-177.8	21.2	0	0	109.2	L254 A255 E256	L254-Q258 PolarHBondContact O-NE2 2.94Å; A255-Q258 VanDerWaalsContact O-CB 3.25Å; A255-Q258 WeakPolarHBondContact O-CB 3.28Å; A255-Q258 PolarHBondContact O-N 2.99Å; E256-Q258 PolarHBondContact O-N 2.82Å
259	L	30.7	Very low	38.3	Very low	161 Å²	161	123.6 Å²	123.6	84%	0.843	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-60.5	148.1	-176.9	-73.1	170	0	0	0	112.7	L257	L257-L259 PolarHBondContact O-N 3.33Å
260	P	28.2	Very low	36.6	Very low	117 Å²	117	122.8 Å²	122.8	76%	0.76	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-75.2	155.3	-162.4	-16.6	32.2	0	0	0	114.5	G262	P260-G262 PolarHBondContact O-N 3.15Å
261	A	29.7	Very low	35.3	Very low	113 Å²	113	122.3 Å²	122.3	93%	0.934	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-67.1	119	168.4	0	0	0	0	0	110.9
262	G	27.3	Very low	33.9	Very low	70 Å²	70	127.2 Å²	127.2	72%	0.722	73%	0.728	S	S	*	*			trans	-138.5	129.5	-179.8	0	0	0	0	0	112.3	P260 N264	P260-G262 PolarHBondContact O-N 3.15Å; G262-N264 PolarHBondContact O-N 2.85Å
263	N	29.1	Very low	32.2	Very low	159 Å²	159	130.8 Å²	130.8	85%	0.85	75%	0.746	S	S	*	*			trans	-78.4	114.2	-175.2	-72.7	-45.5	0	0	0	112.5
264	N	29.1	Very low	31	Very low	148 Å²	148	127.9 Å²	127.9	79%	0.791	75%	0.748	S	S	*	*				169	125.8	117.9	-89.6	-45.2	0	0	0	112.4	G262	G262-N264 PolarHBondContact O-N 2.85Å
265	S	24.7	Very low	30.1	Very low	118 Å²	118	128 Å²	128	83%	0.825	76%	0.756	S	S	*	*			trans	61.9	142.6	-178.9	78.8	0	0	0	0	114.8
266	V	27.1	Very low	29.3	Very low	119 Å²	119	130.9 Å²	130.9	72%	0.721	76%	0.755	S	S	*	*			cis	-119.9	120.5	12.6	168.5	0	0	0	0	110.8	I268	V266-I268 HydrophobicContact CG1-CD1 4.09Å; V266-I268 HydrophobicContact CG1-CG1 3.94Å; V266-I268 PolarHBondContact O-N 2.86Å
267	S	23.5	Very low	28.8	Very low	121 Å²	121	134.7 Å²	134.7	85%	0.846	76%	0.763	S	S	*	*			trans	-79.3	104	171.1	48.1	0	0	0	0	111.5
268	I	28	Very low	28.6	Very low	152 Å²	152	132.9 Å²	132.9	78%	0.779	77%	0.769	S	S	*	*			trans	-128	81.9	157.8	-57.3	172.7	0	0	0	105.8	V266	V266-I268 HydrophobicContact CG1-CD1 4.09Å; V266-I268 HydrophobicContact CG1-CG1 3.94Å; V266-I268 PolarHBondContact O-N 2.86Å
269	G	24	Very low	29.3	Very low	59 Å²	59	129.7 Å²	129.7	61%	0.608	77%	0.767	S	S	*	*			trans	-75.4	-165.1	-168	0	0	0	0	0	115	D271	G269-D271 PolarHBondContact O-N 3.36Å
270	T	28.1	Very low	30.3	Very low	153 Å²	153	125.3 Å²	125.3	94%	0.939	74%	0.743	S	S	*	*	S	Bend	trans	-70.7	47.8	179.6	42.6	0	0	0	0	113.5
271	D	27	Very low	31.9	Very low	106 Å²	106	122 Å²	122	57%	0.567	72%	0.72	S	S	*	*			trans	-152.5	130.4	-165.2	-96.3	-62.6	0	0	0	109.8	G269	G269-D271 PolarHBondContact O-N 3.36Å
272	R	26.7	Very low	33.7	Very low	217 Å²	217	116.7 Å²	116.7	82%	0.819	68%	0.677	S	S	*	*			cis	-144.3	103.5	-9.2	-67.8	178	-177.6	164.5	5.5	108.5
273	L	26	Very low	35.3	Very low	169 Å²	169	118.2 Å²	118.2	89%	0.885	66%	0.664	S	S	*	*	S	Bend	trans	-74.8	137.4	163.7	-85.6	154	0	0	0	108.8
274	P	28.6	Very low	37.2	Very low	99 Å²	99	112.9 Å²	112.9	64%	0.643	64%	0.637	S	S	*	*			trans	-57.6	132	-170.8	-28.2	35.9	0	0	0	113.5	R276	P274-R276 PolarHBondContact O-N 3.46Å
275	P	28	Very low	39.6	Very low	129 Å²	129	107 Å²	107	84%	0.838	61%	0.606	S	S	*	*	S	Bend	trans	-75.8	97.8	-169.6	29.2	-35.3	0	0	0	111.7
276	R	32.4	Very low	41.8	Very low	114 Å²	114	103.6 Å²	103.6	43%	0.43	59%	0.59	S	S	.	*			trans	-156	11.3	173.7	-116.2	171.7	-156.8	-142.3	-1.5	117.4	P274 E1003 E1044	P274-R276 PolarHBondContact O-N 3.46Å; R276-E1003 WeakPolarHBondContact CD-OE1 3.21Å; R276-E1003 IonicContact NH1-OE1 3.2Å; R276-E1044 IonicContact CZ-OE2 2.67Å; R276-E1044 IonicContact NH1-OE2 3.93Å; R276-E1044 PolarHBondContact NH1-OE2 2.83Å; R276-E1044 PolarHBondContact NH2-O 2.74Å; R276-E1044 IonicContact NH2-OE2 3.1Å; R276-E1044 PolarHBondContact NH2-OE2 3.32Å
277	R	34.3	Very low	44	Very low	222 Å²	222	105.5 Å²	105.5	84%	0.838	59%	0.585	S	S	*	*			trans	-124.1	-0.8	-176.6	-71.8	-172.7	174.8	179.6	-1.2	116.4	A279	R277-A279 PolarHBondContact O-N 2.94Å
278	A	36	Very low	46.2	Very low	100 Å²	100	105.7 Å²	105.7	83%	0.826	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.4	38.5	-179.2	0	0	0	0	0	114
279	A	47.2	Very low	47.9	Very low	77 Å²	77	102.3 Å²	102.3	64%	0.636	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-153.9	14.1	-176.4	0	0	0	0	0	113.8	R277	R277-A279 PolarHBondContact O-N 2.94Å
280	M	50.8	Low	50.4	Low	70 Å²	70	102.2 Å²	102.2	35%	0.345	56%	0.558	S	S	.	*			trans	-102	109.3	174	-65.8	-169.5	79.7	0	0	109.6	K1399 F1401	M280-K1399 HydrophobicContact CE-CB 4.23Å; M280-F1401 HydrophobicContact CB-CE2 3.96Å; M280-F1401 HydrophobicContact CE-CD2 4.5Å; M280-F1401 HydrophobicContact CE-CE2 3.83Å; M280-F1401 HydrophobicContact CG-CD2 4.45Å; M280-F1401 HydrophobicContact CG-CE2 4.03Å
281	T	62.8	Low	52.2	Low	46 Å²	46	99.2 Å²	99.2	28%	0.282	54%	0.536	S	S	.	.	B	Isolated β-bridge	trans	-67.8	161.5	163.1	46.3	0	0	0	0	110.1	G286 Q288 F1401	T281-G286 WeakPolarHBondContact CB-O 3.44Å; T281-G286 WeakPolarHBondContact CG2-O 3.37Å; T281-Q288 HydrophobicContact CG2-CG 3.79Å; T281-F1401 WeakPolarHBondContact O-CZ 3.11Å; T281-F1401 WeakPolarHBondContact OG1-CE1 3.48Å; T281-F1401 VanDerWaalsContact OG1-CZ 3.29Å; T281-F1401 WeakPolarHBondContact OG1-CZ 3.22Å
282	C	67.9	Low	54.1	Low	3 Å²	3	95.2 Å²	95.2	2%	0.02	52%	0.518	C	S	.	.			trans	-85.8	125.5	173.8	179.5	0	0	0	0	110.3	V284 C285 G286 R287 H290 C295	C282-V284 PolarHBondContact O-N 3.11Å; C282-C285 VanDerWaalsContact CB-SG 3.5Å; C282-C285 PolarHBondContact O-N 3.21Å; C282-G286 WeakPolarHBondContact O-CA 3.48Å; C282-G286 PolarHBondContact O-N 3.45Å; C282-R287 VanDerWaalsContact CB-O 3.25Å; C282-R287 WeakPolarHBondContact CB-O 3.43Å; C282-R287 PolarHBondContact N-O 2.97Å; C282-H290 VanDerWaalsContact SG-CD2 3.58Å; C282-H290 PolarHBondContact SG-NE2 3.45Å; C282-H290 VanDerWaalsContact SG-NE2 3.44Å; C282-C295 VanDerWaalsContact SG-CB 3.56Å; C282-C295 VanDerWaalsContact SG-SG 3.63Å
283	F	60.8	Low	55.4	Low	102 Å²	102	94 Å²	94	45%	0.447	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	14.9	175.4	-69.5	-88.2	0	0	0	115.1	A292 K1399 F1401	F283-A292 HydrophobicContact CB-CB 4.47Å; F283-K1399 HydrophobicContact CD2-CD 4.33Å; F283-K1399 VanDerWaalsContact CD2-NZ 3.29Å; F283-K1399 HydrophobicContact CE2-CD 3.63Å; F283-K1399 VanDerWaalsContact CE2-NZ 3.34Å; F283-K1399 HydrophobicContact CZ-CD 4.05Å; F283-F1401 AromaticContact CD1-CE1 4Å; F283-F1401 HydrophobicContact CD1-CE1 4Å; F283-F1401 HydrophobicContact CD1-CZ 4.32Å; F283-F1401 HydrophobicContact CD2-CE1 4.17Å; F283-F1401 AromaticContact CD2-CZ 3.66Å; F283-F1401 HydrophobicContact CD2-CZ 3.66Å; F283-F1401 HydrophobicContact CE1-CD1 4.08Å; F283-F1401 AromaticContact CE1-CE1 3.47Å; F283-F1401 HydrophobicContact CE1-CE1 3.47Å; F283-F1401 VanDerWaalsContact CE1-CE1 3.47Å; F283-F1401 AromaticContact CE1-CZ 3.84Å; F283-F1401 HydrophobicContact CE1-CZ 3.84Å; F283-F1401 AromaticContact CE2-CE1 3.66Å; F283-F1401 HydrophobicContact CE2-CE1 3.66Å; F283-F1401 AromaticContact CE2-CE2 3.62Å; F283-F1401 HydrophobicContact CE2-CE2 3.62Å; F283-F1401 AromaticContact CE2-CZ 3.07Å; F283-F1401 HydrophobicContact CE2-CZ 3.07Å; F283-F1401 HydrophobicContact CG-CE1 4.33Å; F283-F1401 HydrophobicContact CG-CZ 4.24Å; F283-F1401 AromaticContact CZ-CD1 3.91Å; F283-F1401 HydrophobicContact CZ-CD1 3.91Å; F283-F1401 HydrophobicContact CZ-CD2 4.3Å; F283-F1401 AromaticContact CZ-CE1 3.29Å; F283-F1401 HydrophobicContact CZ-CE1 3.29Å; F283-F1401 AromaticContact CZ-CE2 3.74Å; F283-F1401 HydrophobicContact CZ-CE2 3.74Å; F283-F1401 HydrophobicContact CZ-CG 4.37Å; F283-F1401 AromaticContact CZ-CZ 3.2Å; F283-F1401 HydrophobicContact CZ-CZ 3.2Å
284	V	67.3	Low	57.1	Low	47 Å²	47	91.1 Å²	91.1	29%	0.285	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.7	-38.7	176.5	178.8	0	0	0	0	111	C282 A292 C295 R298	C282-V284 PolarHBondContact O-N 3.11Å; V284-A292 HydrophobicContact CG2-CB 3.72Å; V284-C295 HydrophobicContact CB-CB 4.21Å; V284-R298 HydrophobicContact CG1-CB 4.02Å; V284-R298 HydrophobicContact CG1-CG 4.27Å; V284-R298 HydrophobicContact CG2-CG 4.3Å
285	C	80.9	Confident	58.9	Low	23 Å²	23	86.7 Å²	86.7	16%	0.155	47%	0.47	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.2	0.1	-176.1	64.6	0	0	0	0	115.6	C282 R287 H290 E297	C282-C285 VanDerWaalsContact CB-SG 3.5Å; C282-C285 PolarHBondContact O-N 3.21Å; C285-R287 HydrophobicContact CB-CG 4.24Å; C285-R287 PolarHBondContact O-N 2.86Å; C285-H290 PolarHBondContact SG-CE1 2.84Å; C285-H290 PolarHBondContact SG-NE2 3.42Å; C285-E297 HydrophobicContact CB-CB 3.95Å; C285-E297 HydrophobicContact CB-CG 4.04Å; C285-E297 WeakPolarHBondContact CB-OE1 3.46Å; C285-E297 WeakPolarHBondContact CB-OE2 3.46Å
286	G	69.9	Low	60.7	Low	47 Å²	47	83.9 Å²	83.9	49%	0.485	46%	0.458	S	S	.	.	S	Bend	trans	67.9	-22.5	-172.2	0	0	0	0	0	115.4	T281 C282	T281-G286 WeakPolarHBondContact CB-O 3.44Å; T281-G286 WeakPolarHBondContact CG2-O 3.37Å; C282-G286 WeakPolarHBondContact O-CA 3.48Å; C282-G286 PolarHBondContact O-N 3.45Å
287	R	73.3	Confident	62.2	Low	160 Å²	160	80.7 Å²	80.7	60%	0.604	45%	0.448	S	S	*	.			trans	-64	145.5	-179.3	-47.8	-173.2	-158.8	-129.8	0.7	111.5	C282 C285 E297	C282-R287 VanDerWaalsContact CB-O 3.25Å; C282-R287 WeakPolarHBondContact CB-O 3.43Å; C282-R287 PolarHBondContact N-O 2.97Å; C285-R287 HydrophobicContact CB-CG 4.24Å; C285-R287 PolarHBondContact O-N 2.86Å; R287-E297 IonicContact CZ-OE1 2.96Å; R287-E297 IonicContact NE-OE1 3.09Å; R287-E297 PolarHBondContact NE-OE1 3.47Å; R287-E297 IonicContact NH2-OE1 3.7Å; R287-E297 PolarHBondContact NH2-OE1 2.96Å
288	Q	70.8	Confident	63.1	Low	125 Å²	125	76.7 Å²	76.7	58%	0.584	43%	0.433	S	S	*	.	B	Isolated β-bridge	trans	-79.4	168.1	173.8	-62.6	-173.2	10.7	0	0	111.8	T281	T281-Q288 HydrophobicContact CG2-CG 3.79Å
289	G	62.3	Low	63.6	Low	81 Å²	81	76.7 Å²	76.7	84%	0.835	43%	0.426	S	S	*	.	S	Bend	trans	98.8	-9.3	169.1	0	0	0	0	0	116.4
290	H	76.8	Confident	63.5	Low	57 Å²	57	81 Å²	81	26%	0.264	43%	0.426	S	S	.	.	S	Bend	trans	-148.5	165	177.8	62.8	-90.2	0	0	0	113.2	C282 C285 C295	C282-H290 VanDerWaalsContact SG-CD2 3.58Å; C282-H290 PolarHBondContact SG-NE2 3.45Å; C282-H290 VanDerWaalsContact SG-NE2 3.44Å; C285-H290 PolarHBondContact SG-CE1 2.84Å; C285-H290 PolarHBondContact SG-NE2 3.42Å; H290-C295 WeakPolarHBondContact CD2-CA 3.44Å; H290-C295 WeakPolarHBondContact NE2-CB 3.28Å; H290-C295 PolarHBondContact NE2-SG 3.09Å
291	L	66	Low	62.8	Low	89 Å²	89	82.4 Å²	82.4	47%	0.466	44%	0.439	S	S	.	.			trans	-90.5	157.1	177.5	-65.6	173.1	0	0	0	111.1	R293 N294 C295	L291-R293 HydrophobicContact CB-CG 4.24Å; L291-R293 PolarHBondContact O-N 3.34Å; L291-R293 VanDerWaalsContact O-N 3.13Å; L291-N294 CarbonylContact O-C 3.55Å; L291-N294 VanDerWaalsContact O-C 3.29Å; L291-N294 WeakPolarHBondContact O-CA 3.3Å; L291-N294 PolarHBondContact O-N 3.09Å; L291-C295 PolarHBondContact O-N 2.92Å; L291-C295 VanDerWaalsContact O-N 3.16Å
292	A	66.8	Low	61.5	Low	23 Å²	23	88.8 Å²	88.8	19%	0.19	47%	0.466	C	S	.	.	G	3₁₀ helix	trans	-48.3	-42.2	174.8	0	0	0	0	0	114	F283 V284 N294 C295 R298	F283-A292 HydrophobicContact CB-CB 4.47Å; V284-A292 HydrophobicContact CG2-CB 3.72Å; A292-N294 VanDerWaalsContact C-N 3.25Å; A292-N294 PolarHBondContact O-N 2.98Å; A292-C295 WeakPolarHBondContact O-CB 3.42Å; A292-C295 PolarHBondContact O-N 2.92Å; A292-R298 VanDerWaalsContact O-CD 3.28Å; A292-R298 WeakPolarHBondContact O-CD 3.46Å
293	R	55.1	Low	59.7	Low	192 Å²	192	92 Å²	92	73%	0.725	49%	0.492	S	S	*	.	G	3₁₀ helix	trans	-75.6	-5.1	176.9	59	150.6	-169.5	-140.5	1.7	115.4	L291	L291-R293 HydrophobicContact CB-CG 4.24Å; L291-R293 PolarHBondContact O-N 3.34Å; L291-R293 VanDerWaalsContact O-N 3.13Å
294	N	61.5	Low	58.3	Low	107 Å²	107	93.9 Å²	93.9	57%	0.572	51%	0.507	S	S	*	.	G	3₁₀ helix	trans	-121.4	20.2	177.5	-67	55.4	0	0	0	110.2	L291 A292	L291-N294 CarbonylContact O-C 3.55Å; L291-N294 VanDerWaalsContact O-C 3.29Å; L291-N294 WeakPolarHBondContact O-CA 3.3Å; L291-N294 PolarHBondContact O-N 3.09Å; A292-N294 VanDerWaalsContact C-N 3.25Å; A292-N294 PolarHBondContact O-N 2.98Å
295	C	66.8	Low	56.5	Low	7 Å²	7	97.6 Å²	97.6	5%	0.047	53%	0.53	C	S	.	.			trans	-92.6	123.5	-173.5	-179.6	0	0	0	0	111	C282 V284 H290 L291 A292 E297 R298	C282-C295 VanDerWaalsContact SG-CB 3.56Å; C282-C295 VanDerWaalsContact SG-SG 3.63Å; V284-C295 HydrophobicContact CB-CB 4.21Å; H290-C295 WeakPolarHBondContact CD2-CA 3.44Å; H290-C295 WeakPolarHBondContact NE2-CB 3.28Å; H290-C295 PolarHBondContact NE2-SG 3.09Å; L291-C295 PolarHBondContact O-N 2.92Å; L291-C295 VanDerWaalsContact O-N 3.16Å; A292-C295 WeakPolarHBondContact O-CB 3.42Å; A292-C295 PolarHBondContact O-N 2.92Å; C295-E297 PolarHBondContact O-N 3.07Å; C295-E297 PolarHBondContact SG-N 2.94Å; C295-E297 VanDerWaalsContact SG-N 3.41Å; C295-R298 HydrophobicContact CB-CB 4.05Å; C295-R298 VanDerWaalsContact O-CB 3.28Å; C295-R298 WeakPolarHBondContact O-CB 3.49Å; C295-R298 PolarHBondContact O-N 2.94Å
296	A	65.2	Low	54	Low	70 Å²	70	105.8 Å²	105.8	58%	0.579	57%	0.565	S	S	*	*	G	3₁₀ helix	trans	-60.4	-28.4	176.1	0	0	0	0	0	112.8	S299	A296-S299 CarbonylContact O-C 3.48Å; A296-S299 PolarHBondContact O-N 3.07Å
297	E	64.1	Low	52.1	Low	46 Å²	46	110.6 Å²	110.6	22%	0.215	58%	0.579	C	S	.	*	G	3₁₀ helix	trans	-80.1	-16.8	175.1	-68	172.9	-142.4	0	0	113.2	C285 R287 C295 S299 R300 T301	C285-E297 HydrophobicContact CB-CB 3.95Å; C285-E297 HydrophobicContact CB-CG 4.04Å; C285-E297 WeakPolarHBondContact CB-OE1 3.46Å; C285-E297 WeakPolarHBondContact CB-OE2 3.46Å; R287-E297 IonicContact CZ-OE1 2.96Å; R287-E297 IonicContact NE-OE1 3.09Å; R287-E297 PolarHBondContact NE-OE1 3.47Å; R287-E297 IonicContact NH2-OE1 3.7Å; R287-E297 PolarHBondContact NH2-OE1 2.96Å; C295-E297 PolarHBondContact O-N 3.07Å; C295-E297 PolarHBondContact SG-N 2.94Å; C295-E297 VanDerWaalsContact SG-N 3.41Å; E297-S299 PolarHBondContact O-N 3.09Å; E297-S299 VanDerWaalsContact O-N 3.13Å; E297-R300 CarbonylContact O-C 3.59Å; E297-R300 WeakPolarHBondContact O-CA 3.42Å; E297-R300 PolarHBondContact O-N 3.14Å; E297-T301 PolarHBondContact O-N 2.83Å; E297-T301 PolarHBondContact O-OG1 2.72Å
298	R	53.2	Low	49.9	Very low	139 Å²	139	108.9 Å²	108.9	53%	0.525	59%	0.589	S	S	.	*	G	3₁₀ helix	trans	-69.1	-3.6	164.7	-148.5	-162.9	-138.8	-159.7	-5.5	112.8	V284 A292 C295	V284-R298 HydrophobicContact CG1-CB 4.02Å; V284-R298 HydrophobicContact CG1-CG 4.27Å; V284-R298 HydrophobicContact CG2-CG 4.3Å; A292-R298 VanDerWaalsContact O-CD 3.28Å; A292-R298 WeakPolarHBondContact O-CD 3.46Å; C295-R298 HydrophobicContact CB-CB 4.05Å; C295-R298 VanDerWaalsContact O-CB 3.28Å; C295-R298 WeakPolarHBondContact O-CB 3.49Å; C295-R298 PolarHBondContact O-N 2.94Å
299	S	46.9	Very low	47.8	Very low	99 Å²	99	106.3 Å²	106.3	69%	0.692	60%	0.596	S	S	*	*	G	3₁₀ helix	trans	-115.7	22.3	167.6	-54.7	0	0	0	0	111.3	A296 E297	A296-S299 CarbonylContact O-C 3.48Å; A296-S299 PolarHBondContact O-N 3.07Å; E297-S299 PolarHBondContact O-N 3.09Å; E297-S299 VanDerWaalsContact O-N 3.13Å
300	R	44	Very low	46.2	Very low	167 Å²	167	112.7 Å²	112.7	63%	0.63	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.8	-22.9	174.3	-63	-178.6	175.3	-163.3	-5.9	113.6	E297 E302 A303	E297-R300 CarbonylContact O-C 3.59Å; E297-R300 WeakPolarHBondContact O-CA 3.42Å; E297-R300 PolarHBondContact O-N 3.14Å; R300-E302 PolarHBondContact O-N 3.48Å; R300-E302 VanDerWaalsContact O-N 3.07Å; R300-A303 WeakPolarHBondContact O-CB 3.39Å; R300-A303 PolarHBondContact O-N 3.3Å
301	T	36.4	Very low	43.9	Very low	100 Å²	100	113.6 Å²	113.6	61%	0.613	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	1.4	170.7	53.1	0	0	0	0	114.2	E297	E297-T301 PolarHBondContact O-N 2.83Å; E297-T301 PolarHBondContact O-OG1 2.72Å
302	E	34.9	Very low	42	Very low	181 Å²	181	117.7 Å²	117.7	85%	0.846	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.2	8.7	169.2	-64.1	-179	153.2	0	0	112.1	R300	R300-E302 PolarHBondContact O-N 3.48Å; R300-E302 VanDerWaalsContact O-N 3.07Å
303	A	31.7	Very low	40.2	Very low	70 Å²	70	120.6 Å²	120.6	58%	0.579	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.2	-26.8	-168.9	0	0	0	0	0	116.3	R300	R300-A303 WeakPolarHBondContact O-CB 3.39Å; R300-A303 PolarHBondContact O-N 3.3Å
304	D	29.5	Very low	39	Very low	142 Å²	142	114.8 Å²	114.8	76%	0.759	66%	0.661	S	S	*	*			trans	-132.4	86.6	-173.3	-82.3	-59.1	0	0	0	113.6
305	V	30.9	Very low	37.5	Very low	125 Å²	125	113.3 Å²	113.3	76%	0.758	66%	0.664	S	S	*	*			trans	-142.2	109.9	155.5	179.9	0	0	0	0	108.9	L307	V305-L307 HydrophobicContact CG1-CD1 4.19Å; V305-L307 HydrophobicContact CG1-CG 4.17Å; V305-L307 PolarHBondContact O-N 2.75Å
306	Q	28.8	Very low	35.7	Very low	194 Å²	194	116.4 Å²	116.4	91%	0.907	68%	0.679	S	S	*	*			trans	-79.6	117.5	173.9	-69	175.1	-20.2	0	0	110.3
307	L	28.4	Very low	34.3	Very low	148 Å²	148	115.7 Å²	115.7	78%	0.775	67%	0.673	S	S	*	*			trans	-134.7	146.7	169.8	-81.1	171.1	0	0	0	110.2	V305	V305-L307 HydrophobicContact CG1-CD1 4.19Å; V305-L307 HydrophobicContact CG1-CG 4.17Å; V305-L307 PolarHBondContact O-N 2.75Å
308	P	27.6	Very low	33.1	Very low	124 Å²	124	119.4 Å²	119.4	81%	0.805	69%	0.689	S	S	*	*			trans	-80.7	129.5	-163.9	30	-35.4	0	0	0	114.2
309	G	26.2	Very low	32.4	Very low	72 Å²	72	119.8 Å²	119.8	74%	0.742	70%	0.697	S	S	*	*			trans	65.3	72.2	143.5	0	0	0	0	0	118.5
310	K	29.5	Very low	32.1	Very low	215 Å²	215	116.8 Å²	116.8	94%	0.935	67%	0.672	S	S	*	*			trans	-154.1	137.3	147	-107.2	146.8	-170.8	174	0	110.7
311	G	27.6	Very low	31.8	Very low	75 Å²	75	112.7 Å²	112.7	77%	0.773	68%	0.675	S	S	*	*			trans	-76.2	159.6	-165.4	0	0	0	0	0	115.4	A313	G311-A313 PolarHBondContact O-N 3.46Å
312	N	26.6	Very low	32	Very low	175 Å²	175	111 Å²	111	94%	0.936	66%	0.662	S	S	*	*			trans	-58.9	119.8	-179.2	-63.4	-36.2	0	0	0	112.5
313	A	28.5	Very low	32.5	Very low	85 Å²	85	110.8 Å²	110.8	70%	0.702	66%	0.658	S	S	*	*			trans	-108.8	104.9	164	0	0	0	0	0	109.2	G311 A317	G311-A313 PolarHBondContact O-N 3.46Å; A313-A317 HydrophobicContact CB-CB 4.21Å
314	S	30.7	Very low	33	Very low	70 Å²	70	111.5 Å²	111.5	49%	0.49	65%	0.648	S	S	.	*			trans	-71.7	165.4	169.4	61.5	0	0	0	0	110.5	L316 A317	S314-L316 PolarHBondContact O-N 3.15Å; S314-A317 WeakPolarHBondContact O-CB 3.17Å; S314-A317 PolarHBondContact O-N 3.1Å
315	A	29.6	Very low	33.6	Very low	76 Å²	76	107.7 Å²	107.7	63%	0.628	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	17.6	176.6	0	0	0	0	0	114.7	D378	A315-D378 HydrophobicContact CB-CB 3.76Å
316	L	30.2	Very low	34.4	Very low	71 Å²	71	106.7 Å²	106.7	37%	0.372	61%	0.61	S	S	.	*	T	Hydrogen-bonded Turn	trans	-96.9	-7.5	166.8	-76.1	156.6	0	0	0	112.5	S314 F318 V382 P410	S314-L316 PolarHBondContact O-N 3.15Å; L316-F318 VanDerWaalsContact C-N 3.28Å; L316-F318 PolarHBondContact O-N 3.01Å; L316-V382 HydrophobicContact CD1-CG2 4.31Å; L316-V382 HydrophobicContact CD2-CG2 3.95Å; L316-P410 WeakPolarHBondContact O-CD 3.4Å; L316-P410 WeakPolarHBondContact O-CG 3.42Å
317	A	34.7	Very low	35.5	Very low	55 Å²	55	106 Å²	106	46%	0.455	60%	0.604	S	S	.	*			trans	-80.8	58.5	-173.6	0	0	0	0	0	114.3	A313 S314 Q319	A313-A317 HydrophobicContact CB-CB 4.21Å; S314-A317 WeakPolarHBondContact O-CB 3.17Å; S314-A317 PolarHBondContact O-N 3.1Å; A317-Q319 PolarHBondContact O-N 3.21Å
318	F	40	Very low	37	Very low	125 Å²	125	105.9 Å²	105.9	55%	0.548	60%	0.597	S	S	.	*			trans	-70.1	78.7	164.4	-114.9	-80.8	0	0	0	109.9	L316 L320 L325 V329 P410	L316-F318 VanDerWaalsContact C-N 3.28Å; L316-F318 PolarHBondContact O-N 3.01Å; F318-L320 PolarHBondContact O-N 3.28Å; F318-L325 HydrophobicContact CD1-CD2 4.33Å; F318-L325 HydrophobicContact CE1-CD2 4.08Å; F318-V329 HydrophobicContact CE1-CG2 4.44Å; F318-P410 HydrophobicContact CB-CB 3.51Å; F318-P410 HydrophobicContact CB-CG 3.88Å; F318-P410 WeakPolarHBondContact O-CB 3.4Å
319	Q	38	Very low	38.7	Very low	147 Å²	147	101 Å²	101	69%	0.687	57%	0.565	S	S	*	*			trans	-68.5	97	178.8	-78.2	-167.1	-22	0	0	111.6	A317 A321 D322	A317-Q319 PolarHBondContact O-N 3.21Å; Q319-A321 HydrophobicContact CB-CB 4.47Å; Q319-A321 PolarHBondContact O-N 3.1Å; Q319-D322 PolarHBondContact O-N 3.34Å; Q319-D322 VanDerWaalsContact O-N 3.07Å
320	L	41.1	Very low	41	Very low	35 Å²	35	98.6 Å²	98.6	18%	0.183	54%	0.537	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-3.2	167.3	-74.7	171.9	0	0	0	114.1	F318 D322 R326 V344 C411	F318-L320 PolarHBondContact O-N 3.28Å; L320-D322 VanDerWaalsContact C-N 3.31Å; L320-R326 WeakPolarHBondContact O-CD 3.48Å; L320-R326 PolarHBondContact O-NE 2.95Å; L320-V344 HydrophobicContact CD1-CG2 3.74Å; L320-V344 HydrophobicContact CD2-CG2 4.12Å; L320-C411 HydrophobicContact CD1-CB 3.59Å
321	A	37.4	Very low	43.5	Very low	82 Å²	82	89.9 Å²	89.9	68%	0.678	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-23.1	168.5	0	0	0	0	0	113.4	Q319 K323	Q319-A321 HydrophobicContact CB-CB 4.47Å; Q319-A321 PolarHBondContact O-N 3.1Å; A321-K323 PolarHBondContact O-N 3.46Å; A321-K323 VanDerWaalsContact O-N 3.13Å
322	D	41.1	Very low	46.2	Very low	63 Å²	63	86.8 Å²	86.8	34%	0.337	47%	0.467	S	S	.	.			trans	-75	105.2	173.6	-170.6	-9.5	0	0	0	110.9	Q319 L320 K324 L325 R326	Q319-D322 PolarHBondContact O-N 3.34Å; Q319-D322 VanDerWaalsContact O-N 3.07Å; L320-D322 VanDerWaalsContact C-N 3.31Å; D322-K324 PolarHBondContact O-N 3.44Å; D322-K324 VanDerWaalsContact OD1-CB 3.31Å; D322-K324 WeakPolarHBondContact OD1-CB 3.34Å; D322-K324 WeakPolarHBondContact OD1-CG 2.95Å; D322-K324 PolarHBondContact OD1-N 2.83Å; D322-L325 HydrophobicContact CB-CB 4.41Å; D322-L325 HydrophobicContact CB-CD1 4.13Å; D322-L325 PolarHBondContact O-N 2.81Å; D322-L325 WeakPolarHBondContact OD2-CD1 3.09Å; D322-R326 PolarHBondContact O-N 2.95Å
323	K	45.6	Very low	49.1	Very low	178 Å²	178	85.4 Å²	85.4	77%	0.774	45%	0.449	S	S	*	.	H	α-helix	trans	-52.6	-23	174.3	-70	-174.5	174.5	-176.6	0	113.6	A321	A321-K323 PolarHBondContact O-N 3.46Å; A321-K323 VanDerWaalsContact O-N 3.13Å
324	K	41.1	Very low	51.9	Low	85 Å²	85	81.4 Å²	81.4	37%	0.37	42%	0.416	S	S	.	.	H	α-helix	trans	-82.3	-28.6	176.9	-55.1	-178.7	-167.2	177.8	0	113.4	D322 G546 H547 L548	D322-K324 PolarHBondContact O-N 3.44Å; D322-K324 VanDerWaalsContact OD1-CB 3.31Å; D322-K324 WeakPolarHBondContact OD1-CB 3.34Å; D322-K324 WeakPolarHBondContact OD1-CG 2.95Å; D322-K324 PolarHBondContact OD1-N 2.83Å; K324-G546 WeakPolarHBondContact CE-O 3.41Å; K324-G546 PolarHBondContact NZ-O 2.57Å; K324-H547 PolarHBondContact NZ-O 3.08Å; K324-H547 VanDerWaalsContact NZ-O 3.08Å; K324-L548 HydrophobicContact CB-CD1 4.38Å; K324-L548 HydrophobicContact CB-CD2 3.81Å; K324-L548 HydrophobicContact CB-CG 4.21Å; K324-L548 HydrophobicContact CD-CD2 3.69Å; K324-L548 HydrophobicContact CD-CG 3.97Å; K324-L548 HydrophobicContact CG-CD2 4.43Å
325	L	42.6	Very low	54.5	Low	62 Å²	62	79.9 Å²	79.9	33%	0.325	41%	0.405	S	S	.	.	H	α-helix	trans	-79.8	-33.3	173.6	-91.5	80.9	0	0	0	111.9	F318 D322 K327 K328 V329	F318-L325 HydrophobicContact CD1-CD2 4.33Å; F318-L325 HydrophobicContact CE1-CD2 4.08Å; D322-L325 HydrophobicContact CB-CB 4.41Å; D322-L325 HydrophobicContact CB-CD1 4.13Å; D322-L325 PolarHBondContact O-N 2.81Å; D322-L325 WeakPolarHBondContact OD2-CD1 3.09Å; L325-K327 PolarHBondContact O-N 3.42Å; L325-K327 VanDerWaalsContact O-N 3.13Å; L325-K328 PolarHBondContact O-N 2.68Å; L325-V329 PolarHBondContact O-N 2.79Å
326	R	46.5	Very low	57.2	Low	103 Å²	103	77.1 Å²	77.1	39%	0.389	38%	0.38	S	S	.	.	H	α-helix	trans	-49.9	-37.3	176.9	-83.2	175	157.2	-105.8	-10.7	114	L320 D322 K328 E342	L320-R326 WeakPolarHBondContact O-CD 3.48Å; L320-R326 PolarHBondContact O-NE 2.95Å; D322-R326 PolarHBondContact O-N 2.95Å; R326-K328 PolarHBondContact O-N 3.46Å; R326-E342 IonicContact CZ-OE2 3.35Å; R326-E342 VanDerWaalsContact NH1-CD 3.3Å; R326-E342 IonicContact NH1-OE1 2.75Å; R326-E342 PolarHBondContact NH1-OE1 2.84Å; R326-E342 VanDerWaalsContact NH1-OE1 3.17Å; R326-E342 IonicContact NH1-OE2 3.2Å; R326-E342 PolarHBondContact NH1-OE2 3.17Å; R326-E342 IonicContact NH2-OE2 3.66Å; R326-E342 PolarHBondContact NH2-OE2 3.2Å
327	K	52.4	Low	59.6	Low	179 Å²	179	76.6 Å²	76.6	78%	0.778	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-6.9	176.2	-74.3	-165.9	173.7	-170.4	0	115.2	L325	L325-K327 PolarHBondContact O-N 3.42Å; L325-K327 VanDerWaalsContact O-N 3.13Å
328	K	59.6	Low	61.6	Low	147 Å²	147	83.4 Å²	83.4	64%	0.639	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118	-11.5	-176	-63.5	-167.6	176.3	-167.8	0	114.3	L325 R326	L325-K328 PolarHBondContact O-N 2.68Å; R326-K328 PolarHBondContact O-N 3.46Å
329	V	63.4	Low	63.5	Low	21 Å²	21	82.5 Å²	82.5	13%	0.127	41%	0.407	C	S	.	.	S	Bend	trans	-95.5	128.7	175.3	178	0	0	0	0	108.2	F318 L325 T331 V344 W434	F318-V329 HydrophobicContact CE1-CG2 4.44Å; L325-V329 PolarHBondContact O-N 2.79Å; V329-T331 HydrophobicContact CG1-CG2 4.45Å; V329-V344 HydrophobicContact CG1-CB 4.42Å; V329-V344 HydrophobicContact CG1-CG1 3.66Å; V329-V344 HydrophobicContact CG1-CG2 4.01Å; V329-W434 WeakPolarHBondContact O-CZ2 3.19Å
330	P	74.1	Confident	65.7	Low	22 Å²	22	81.7 Å²	81.7	14%	0.143	40%	0.404	C	S	.	.			trans	-63.9	132.1	172.2	-24	36.4	0	0	0	112.3	I345 M427 W434	P330-I345 HydrophobicContact CB-CB 4.06Å; P330-I345 PolarHBondContact O-N 3.33Å; P330-M427 HydrophobicContact CB-CE 4.09Å; P330-M427 HydrophobicContact CB-SD 3.54Å; P330-M427 VanDerWaalsContact CB-SD 3.54Å; P330-M427 HydrophobicContact CG-CE 3.77Å; P330-M427 HydrophobicContact CG-SD 3.92Å; P330-W434 VanDerWaalsContact CA-CE2 3.48Å; P330-W434 HydrophobicContact CB-CD2 3.89Å; P330-W434 HydrophobicContact CB-CE3 4.14Å; P330-W434 HydrophobicContact CB-CG 4.16Å; P330-W434 HydrophobicContact CG-CD2 4.2Å; P330-W434 HydrophobicContact CG-CG 3.95Å
331	T	82.5	Confident	67.9	Low	31 Å²	31	80.6 Å²	80.6	19%	0.19	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	148.1	-176.5	54.5	0	0	0	0	112.9	V329 E342 A343 V344 W434	V329-T331 HydrophobicContact CG1-CG2 4.45Å; T331-E342 HydrophobicContact CG2-CG 4.39Å; T331-A343 CarbonylContact C-O 3.55Å; T331-A343 WeakPolarHBondContact CA-O 3.29Å; T331-A343 WeakPolarHBondContact CB-O 3.39Å; T331-V344 HydrophobicContact CG2-CG2 4.41Å; T331-W434 VanDerWaalsContact N-CH2 3.32Å; T331-W434 WeakPolarHBondContact O-CH2 3.24Å
332	L	84.8	Confident	70.2	Confident	11 Å²	11	80.4 Å²	80.4	6%	0.058	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	130	177.2	-166.1	72.1	0	0	0	109.5	V334 A343 I345 H394 L415 L423 L425 I436	L332-V334 HydrophobicContact CD2-CG1 3.78Å; L332-V334 HydrophobicContact CG-CG1 4.07Å; L332-A343 PolarHBondContact N-O 3.22Å; L332-A343 PolarHBondContact O-N 3.09Å; L332-I345 HydrophobicContact CB-CD1 4.11Å; L332-I345 HydrophobicContact CB-CG1 4.45Å; L332-H394 VanDerWaalsContact CD1-CE1 3.42Å; L332-H394 WeakPolarHBondContact CD1-CE1 3.24Å; L332-L415 HydrophobicContact CB-CD1 4.31Å; L332-L415 HydrophobicContact CD2-CD1 3.79Å; L332-L423 HydrophobicContact CD2-CD1 3.84Å; L332-L425 HydrophobicContact CD1-CD1 4.06Å; L332-L425 HydrophobicContact CD2-CD1 3.79Å; L332-I436 HydrophobicContact CD1-CD1 3.9Å
333	R	86.9	Confident	72.4	Confident	145 Å²	145	77.4 Å²	77.4	55%	0.547	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	128.3	166.1	-69.3	-161.6	-162.5	169.3	9.8	109.7	E340 H394	R333-E340 VanDerWaalsContact CD-OE1 3.3Å; R333-E340 WeakPolarHBondContact CD-OE1 3.47Å; R333-E340 IonicContact NH1-OE1 2.9Å; R333-E340 IonicContact NH1-OE2 2.63Å; R333-H394 PolarHBondContact O-ND1 3.36Å
334	V	88.1	Confident	74.4	Confident	2 Å²	2	69.9 Å²	69.9	1%	0.012	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	145.6	173.7	-60.8	0	0	0	0	108.6	L332 V336 V341 A343 L392 V393 H394 L413	L332-V334 HydrophobicContact CD2-CG1 3.78Å; L332-V334 HydrophobicContact CG-CG1 4.07Å; V334-V336 HydrophobicContact CG2-CG2 4.43Å; V334-V341 PolarHBondContact N-O 3.02Å; V334-V341 PolarHBondContact O-N 3.35Å; V334-V341 VanDerWaalsContact O-O 3.09Å; V334-A343 HydrophobicContact CG2-CB 4.13Å; V334-L392 HydrophobicContact CB-CB 4.34Å; V334-L392 HydrophobicContact CG2-CD2 4.3Å; V334-V393 WeakPolarHBondContact CA-O 3.43Å; V334-H394 HydrophobicContact CG1-CB 4.24Å; V334-L413 HydrophobicContact CG2-CD2 3.82Å
335	S	86.1	Confident	76.5	Confident	37 Å²	37	66.1 Å²	66.1	26%	0.259	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	143.4	167.4	38.4	0	0	0	0	111.3	R339 L392 V393	S335-R339 CarbonylContact C-O 3.54Å; S335-R339 WeakPolarHBondContact CA-O 3.38Å; S335-L392 WeakPolarHBondContact O-CA 3.3Å; S335-V393 PolarHBondContact N-O 2.93Å; S335-V393 PolarHBondContact O-N 3.1Å; S335-V393 WeakPolarHBondContact OG-CB 3.39Å
336	V	84.7	Confident	78.3	Confident	18 Å²	18	66 Å²	66	11%	0.109	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	98.5	-179.3	-173	0	0	0	0	106.8	V334 E338 R339 V341 L358 L390 L392 L413	V334-V336 HydrophobicContact CG2-CG2 4.43Å; V336-E338 PolarHBondContact O-N 3.38Å; V336-R339 PolarHBondContact N-O 2.88Å; V336-R339 PolarHBondContact O-N 2.92Å; V336-V341 HydrophobicContact CB-CG2 4.39Å; V336-V341 HydrophobicContact CG2-CG2 3.95Å; V336-L358 HydrophobicContact CB-CD2 4.49Å; V336-L358 HydrophobicContact CG1-CD2 4.37Å; V336-L358 HydrophobicContact CG2-CD2 4.28Å; V336-L390 HydrophobicContact CG1-CD1 4.11Å; V336-L390 HydrophobicContact CG1-CD2 3.81Å; V336-L390 HydrophobicContact CG1-CG 4.4Å; V336-L392 HydrophobicContact CG2-CD2 3.64Å; V336-L413 HydrophobicContact CG2-CD2 4.29Å
337	G	81	Confident	79.5	Confident	60 Å²	60	64.8 Å²	64.8	62%	0.619	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	-131.4	-160.7	0	0	0	0	0	110.5	R339	G337-R339 VanDerWaalsContact C-N 3.3Å; G337-R339 PolarHBondContact O-N 3.33Å
338	E	76.9	Confident	80.2	Confident	199 Å²	199	59.6 Å²	59.6	93%	0.93	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-2.7	179.6	-60.1	-176.4	164.6	0	0	114.5	V336	V336-E338 PolarHBondContact O-N 3.38Å
339	R	80	Confident	80.7	Confident	105 Å²	105	53.5 Å²	53.5	40%	0.396	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	121.3	-177.2	-68.4	-176.7	179.1	150	3.9	112.3	S335 V336 G337 D361	S335-R339 CarbonylContact C-O 3.54Å; S335-R339 WeakPolarHBondContact CA-O 3.38Å; V336-R339 PolarHBondContact N-O 2.88Å; V336-R339 PolarHBondContact O-N 2.92Å; G337-R339 VanDerWaalsContact C-N 3.3Å; G337-R339 PolarHBondContact O-N 3.33Å; R339-D361 IonicContact CZ-OD1 3.82Å; R339-D361 IonicContact CZ-OD2 2.71Å; R339-D361 IonicContact NH1-OD2 2.81Å; R339-D361 PolarHBondContact NH1-OD2 3.39Å; R339-D361 IonicContact NH2-OD1 2.68Å; R339-D361 PolarHBondContact NH2-OD1 3.41Å; R339-D361 IonicContact NH2-OD2 2.83Å; R339-D361 PolarHBondContact NH2-OD2 3.02Å
340	E	85.1	Confident	81.2	Confident	131 Å²	131	54.9 Å²	54.9	61%	0.612	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.9	138.5	159.5	-95.4	-151.1	123.2	0	0	110.6	R333	R333-E340 VanDerWaalsContact CD-OE1 3.3Å; R333-E340 WeakPolarHBondContact CD-OE1 3.47Å; R333-E340 IonicContact NH1-OE1 2.9Å; R333-E340 IonicContact NH1-OE2 2.63Å
341	V	85.5	Confident	81.5	Confident	11 Å²	11	55.4 Å²	55.4	7%	0.067	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	129.9	177.1	-169.9	0	0	0	0	109.6	V334 V336 A343 L358 M412 L413	V334-V341 PolarHBondContact N-O 3.02Å; V334-V341 PolarHBondContact O-N 3.35Å; V334-V341 VanDerWaalsContact O-O 3.09Å; V336-V341 HydrophobicContact CB-CG2 4.39Å; V336-V341 HydrophobicContact CG2-CG2 3.95Å; V341-A343 PolarHBondContact O-N 2.9Å; V341-L358 HydrophobicContact CG2-CD1 3.61Å; V341-L358 HydrophobicContact CG2-CD2 4.07Å; V341-L358 HydrophobicContact CG2-CG 4.49Å; V341-M412 HydrophobicContact CG1-CB 3.9Å; V341-L413 HydrophobicContact CG1-CB 3.87Å
342	E	86.1	Confident	81.8	Confident	78 Å²	78	54 Å²	54	36%	0.364	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	90.5	170.9	-169.1	177.6	-146.5	0	0	108.3	R326 T331	R326-E342 IonicContact CZ-OE2 3.35Å; R326-E342 VanDerWaalsContact NH1-CD 3.3Å; R326-E342 IonicContact NH1-OE1 2.75Å; R326-E342 PolarHBondContact NH1-OE1 2.84Å; R326-E342 VanDerWaalsContact NH1-OE1 3.17Å; R326-E342 IonicContact NH1-OE2 3.2Å; R326-E342 PolarHBondContact NH1-OE2 3.17Å; R326-E342 IonicContact NH2-OE2 3.66Å; R326-E342 PolarHBondContact NH2-OE2 3.2Å; T331-E342 HydrophobicContact CG2-CG 4.39Å
343	A	87.8	Confident	82.1	Confident	0 Å²	0	55 Å²	55	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	136.6	-176.4	0	0	0	0	0	110.9	T331 L332 V334 V341 L413 L415	T331-A343 CarbonylContact C-O 3.55Å; T331-A343 WeakPolarHBondContact CA-O 3.29Å; T331-A343 WeakPolarHBondContact CB-O 3.39Å; L332-A343 PolarHBondContact N-O 3.22Å; L332-A343 PolarHBondContact O-N 3.09Å; V334-A343 HydrophobicContact CG2-CB 4.13Å; V341-A343 PolarHBondContact O-N 2.9Å; A343-L413 WeakPolarHBondContact CA-O 3.37Å; A343-L413 HydrophobicContact CB-CB 4.08Å; A343-L413 HydrophobicContact CB-CD2 3.9Å; A343-L413 HydrophobicContact CB-CG 3.85Å; A343-L415 HydrophobicContact CB-CD1 4.04Å; A343-L415 HydrophobicContact CB-CG 3.95Å
344	V	87.4	Confident	82.3	Confident	21 Å²	21	48 Å²	48	13%	0.127	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	142.7	170.7	171.3	0	0	0	0	109.5	L320 V329 T331 C411 L413 A414 L415	L320-V344 HydrophobicContact CD1-CG2 3.74Å; L320-V344 HydrophobicContact CD2-CG2 4.12Å; V329-V344 HydrophobicContact CG1-CB 4.42Å; V329-V344 HydrophobicContact CG1-CG1 3.66Å; V329-V344 HydrophobicContact CG1-CG2 4.01Å; T331-V344 HydrophobicContact CG2-CG2 4.41Å; V344-C411 HydrophobicContact CG2-CB 4.06Å; V344-L413 PolarHBondContact N-O 2.85Å; V344-A414 HydrophobicContact CB-CB 4.33Å; V344-A414 CarbonylContact O-C 3.51Å; V344-A414 WeakPolarHBondContact O-CA 3.44Å; V344-L415 PolarHBondContact O-N 3.38Å
345	I	85.4	Confident	82.3	Confident	6 Å²	6	50 Å²	50	3%	0.031	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	119.4	167.3	-67.1	159.8	0	0	0	108.2	P330 L332 T347 L415 L420 M427 I436	P330-I345 HydrophobicContact CB-CB 4.06Å; P330-I345 PolarHBondContact O-N 3.33Å; L332-I345 HydrophobicContact CB-CD1 4.11Å; L332-I345 HydrophobicContact CB-CG1 4.45Å; I345-T347 HydrophobicContact CG2-CG2 4.22Å; I345-L415 HydrophobicContact CG1-CB 4.44Å; I345-L420 HydrophobicContact CD1-CD2 3.97Å; I345-L420 HydrophobicContact CG1-CD2 4.11Å; I345-L420 HydrophobicContact CG2-CD1 3.74Å; I345-L420 HydrophobicContact CG2-CD2 4.01Å; I345-L420 HydrophobicContact CG2-CG 4.16Å; I345-M427 HydrophobicContact CD1-SD 4.47Å; I345-M427 HydrophobicContact CG2-SD 3.98Å; I345-I436 HydrophobicContact CD1-CD1 3.41Å; I345-I436 VanDerWaalsContact CD1-CD1 3.41Å; I345-I436 HydrophobicContact CD1-CG1 4.36Å
346	D	80.2	Confident	82.4	Confident	60 Å²	60	53.9 Å²	53.9	32%	0.321	30%	0.301	S	S	.	.			trans	-108.6	96.5	176.7	-171.8	-10.6	0	0	0	110	G348 A349 L415	D346-G348 PolarHBondContact O-N 2.96Å; D346-G348 VanDerWaalsContact OD1-CA 3.32Å; D346-G348 WeakPolarHBondContact OD1-CA 3.47Å; D346-G348 PolarHBondContact OD1-N 3.34Å; D346-A349 HydrophobicContact CB-CB 3.99Å; D346-A349 PolarHBondContact O-N 3.47Å; D346-A349 VanDerWaalsContact O-N 3.09Å; D346-A349 PolarHBondContact OD1-N 3.37Å; D346-L415 PolarHBondContact N-O 2.89Å
347	T	72.2	Confident	82.4	Confident	76 Å²	76	55.3 Å²	55.3	47%	0.466	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-5.6	176	55.7	0	0	0	0	113.8	I345 M427	I345-T347 HydrophobicContact CG2-CG2 4.22Å; T347-M427 HydrophobicContact CG2-CE 3.56Å; T347-M427 HydrophobicContact CG2-SD 4.45Å
348	G	66.6	Low	82.5	Confident	71 Å²	71	53.1 Å²	53.1	73%	0.732	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-13.5	170.1	0	0	0	0	0	113.6	D346	D346-G348 PolarHBondContact O-N 2.96Å; D346-G348 VanDerWaalsContact OD1-CA 3.32Å; D346-G348 WeakPolarHBondContact OD1-CA 3.47Å; D346-G348 PolarHBondContact OD1-N 3.34Å
349	A	70.5	Confident	82.7	Confident	18 Å²	18	44.7 Å²	44.7	15%	0.149	25%	0.247	C	C	.	.			trans	-103.5	127.8	178.5	0	0	0	0	0	111.5	D346 F353 G416 T417	D346-A349 HydrophobicContact CB-CB 3.99Å; D346-A349 PolarHBondContact O-N 3.47Å; D346-A349 VanDerWaalsContact O-N 3.09Å; D346-A349 PolarHBondContact OD1-N 3.37Å; A349-F353 HydrophobicContact CB-CE1 4.06Å; A349-G416 CarbonylContact O-C 3.22Å; A349-G416 WeakPolarHBondContact O-CA 3.32Å; A349-T417 PolarHBondContact O-N 2.98Å
350	T	73.3	Confident	82.1	Confident	51 Å²	51	43.1 Å²	43.1	31%	0.313	26%	0.257	S	S	.	.	S	Bend	trans	-65	-49.6	168.1	-65.2	0	0	0	0	110.7	D65 T417 E418	D65-T350 WeakPolarHBondContact OD2-CB 3.38Å; D65-T350 WeakPolarHBondContact OD2-CG2 3.39Å; D65-T350 PolarHBondContact OD2-OG1 3.39Å; T350-T417 PolarHBondContact O-N 3.08Å; T350-E418 WeakPolarHBondContact O-CB 3.34Å; T350-E418 PolarHBondContact O-N 3.39Å; T350-E418 VanDerWaalsContact O-N 3.1Å
351	S	80.3	Confident	81.2	Confident	33 Å²	33	41.5 Å²	41.5	23%	0.231	25%	0.252	C	S	.	.	S	Bend	trans	-101.6	147	-173.2	-54.4	0	0	0	0	112.7
352	S	89.6	Confident	80	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	157.8	176.5	-55	0	0	0	0	112.4	V401 V403 A404 A414 G416 A419	S352-V401 WeakPolarHBondContact OG-CG1 3.28Å; S352-V403 WeakPolarHBondContact O-CA 3.28Å; S352-A404 PolarHBondContact O-N 3.34Å; S352-A414 CarbonylContact C-O 3.59Å; S352-A414 VanDerWaalsContact CA-O 3.29Å; S352-A414 WeakPolarHBondContact CA-O 3.37Å; S352-A414 VanDerWaalsContact CB-O 3.22Å; S352-A414 WeakPolarHBondContact CB-O 3.46Å; S352-G416 PolarHBondContact OG-N 2.86Å; S352-A419 WeakPolarHBondContact OG-CB 3.44Å
353	F	89.9	Confident	79	Confident	32 Å²	32	48.8 Å²	48.8	14%	0.14	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	148.4	179.3	47.2	-91.2	0	0	0	113.4	A349 A404 L406 A414	A349-F353 HydrophobicContact CB-CE1 4.06Å; F353-A404 CarbonylContact C-O 3.6Å; F353-A404 VanDerWaalsContact CA-O 3.23Å; F353-A404 WeakPolarHBondContact CA-O 3.5Å; F353-A404 HydrophobicContact CB-CB 4.24Å; F353-A404 WeakPolarHBondContact CB-O 3.15Å; F353-L406 HydrophobicContact CB-CD1 3.88Å; F353-L406 HydrophobicContact CB-CG 4.13Å; F353-L406 HydrophobicContact CD2-CD1 3.58Å; F353-L406 HydrophobicContact CE2-CD1 4.34Å; F353-L406 HydrophobicContact CG-CD1 3.92Å; F353-A414 HydrophobicContact CD1-CB 4.37Å; F353-A414 HydrophobicContact CD2-CB 3.73Å; F353-A414 HydrophobicContact CE1-CB 4.07Å; F353-A414 HydrophobicContact CE2-CB 3.38Å; F353-A414 HydrophobicContact CG-CB 4.22Å; F353-A414 HydrophobicContact CZ-CB 3.57Å; F353-A414 PolarHBondContact N-O 2.85Å; F353-A414 PolarHBondContact O-N 2.82Å
354	V	90.9	Very high	78.1	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	144.7	-171.4	69.5	0	0	0	0	111.3	L358 I359 L390 V403 A404 V405 L406 M412 L413	V354-L358 HydrophobicContact CG2-CB 3.75Å; V354-L358 HydrophobicContact CG2-CD2 3.58Å; V354-L358 HydrophobicContact CG2-CG 4.27Å; V354-I359 HydrophobicContact CG1-CD1 4.19Å; V354-L390 HydrophobicContact CG2-CD1 4.17Å; V354-V403 HydrophobicContact CB-CB 4.05Å; V354-V403 HydrophobicContact CB-CG2 3.91Å; V354-V403 HydrophobicContact CG1-CB 3.96Å; V354-V403 HydrophobicContact CG1-CG2 3.48Å; V354-V403 VanDerWaalsContact CG1-CG2 3.48Å; V354-A404 PolarHBondContact N-O 3.48Å; V354-V405 HydrophobicContact CG1-CB 4.33Å; V354-V405 HydrophobicContact CG1-CG1 4.43Å; V354-V405 HydrophobicContact CG1-CG2 4.01Å; V354-L406 PolarHBondContact O-N 2.9Å; V354-M412 WeakPolarHBondContact CG2-O 3.34Å; V354-L413 HydrophobicContact CB-CD1 4.2Å; V354-L413 HydrophobicContact CG2-CD1 4.34Å
355	H	89.7	Confident	77.6	Confident	42 Å²	42	58 Å²	58	19%	0.194	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	136.2	171.4	-167.8	-107.6	0	0	0	110.5	S357 L358 C409 M412	H355-S357 PolarHBondContact ND1-OG 2.81Å; H355-S357 PolarHBondContact O-N 2.72Å; H355-L358 PolarHBondContact O-N 3.31Å; H355-C409 PolarHBondContact CD2-N 2.98Å; H355-C409 VanDerWaalsContact CD2-SG 3.59Å; H355-M412 HydrophobicContact CB-SD 4.29Å; H355-M412 PolarHBondContact N-O 3.19Å
356	K	86.7	Confident	77.4	Confident	119 Å²	119	62.3 Å²	62.3	52%	0.517	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-52.4	-28.8	-174.8	96.1	172.7	-166	171.6	0	114.8	L358 I359 A360 I385 V405 L406	K356-L358 VanDerWaalsContact C-N 3.29Å; K356-L358 PolarHBondContact O-N 3.49Å; K356-I359 PolarHBondContact O-N 2.95Å; K356-A360 PolarHBondContact O-N 3.07Å; K356-I385 HydrophobicContact CB-CD1 3.83Å; K356-I385 HydrophobicContact CD-CD1 4.09Å; K356-V405 HydrophobicContact CB-CG1 4.09Å; K356-L406 PolarHBondContact N-O 3.36Å; K356-L406 VanDerWaalsContact N-O 3.11Å
357	S	85.7	Confident	77.6	Confident	49 Å²	49	64.1 Å²	64.1	34%	0.343	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-73.3	-13.9	-178.5	64.5	0	0	0	0	114.5	H355 I359	H355-S357 PolarHBondContact ND1-OG 2.81Å; H355-S357 PolarHBondContact O-N 2.72Å; S357-I359 VanDerWaalsContact C-N 3.32Å
358	L	83.4	Confident	77.8	Confident	14 Å²	14	65.2 Å²	65.2	7%	0.073	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-74.6	-26.8	175.9	-166	67	0	0	0	112.3	V336 V341 V354 H355 K356 L390 M412 L413	V336-L358 HydrophobicContact CB-CD2 4.49Å; V336-L358 HydrophobicContact CG1-CD2 4.37Å; V336-L358 HydrophobicContact CG2-CD2 4.28Å; V341-L358 HydrophobicContact CG2-CD1 3.61Å; V341-L358 HydrophobicContact CG2-CD2 4.07Å; V341-L358 HydrophobicContact CG2-CG 4.49Å; V354-L358 HydrophobicContact CG2-CB 3.75Å; V354-L358 HydrophobicContact CG2-CD2 3.58Å; V354-L358 HydrophobicContact CG2-CG 4.27Å; H355-L358 PolarHBondContact O-N 3.31Å; K356-L358 VanDerWaalsContact C-N 3.29Å; K356-L358 PolarHBondContact O-N 3.49Å; L358-L390 HydrophobicContact CD2-CD1 4.49Å; L358-M412 HydrophobicContact CB-CE 3.9Å; L358-M412 HydrophobicContact CD1-CE 3.72Å; L358-M412 HydrophobicContact CG-CE 4.39Å; L358-L413 HydrophobicContact CD2-CB 4.42Å
359	I	80.4	Confident	78.3	Confident	21 Å²	21	64.6 Å²	64.6	11%	0.108	36%	0.363	C	S	.	.	S	Bend	trans	-116.9	14.7	-175.9	55.3	172	0	0	0	112.9	V354 K356 S357 D361 V364 A388 L390 V405	V354-I359 HydrophobicContact CG1-CD1 4.19Å; K356-I359 PolarHBondContact O-N 2.95Å; S357-I359 VanDerWaalsContact C-N 3.32Å; I359-D361 PolarHBondContact O-N 3.32Å; I359-V364 HydrophobicContact CB-CB 4.32Å; I359-V364 HydrophobicContact CG2-CB 4.08Å; I359-V364 HydrophobicContact CG2-CG1 4.26Å; I359-V364 HydrophobicContact CG2-CG2 4.15Å; I359-A388 HydrophobicContact CD1-CB 4.12Å; I359-L390 HydrophobicContact CG2-CD2 3.73Å; I359-V405 HydrophobicContact CD1-CB 4.27Å; I359-V405 HydrophobicContact CD1-CG1 3.76Å; I359-V405 HydrophobicContact CD1-CG2 3.46Å; I359-V405 VanDerWaalsContact CD1-CG2 3.46Å
360	A	68.5	Low	78	Confident	73 Å²	73	68 Å²	68	60%	0.603	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-19.5	179.6	0	0	0	0	0	113.4	K356 G362	K356-A360 PolarHBondContact O-N 3.07Å; A360-G362 PolarHBondContact O-N 2.8Å; A360-G362 VanDerWaalsContact O-N 3.15Å
361	D	66.1	Low	77.5	Confident	96 Å²	96	66.5 Å²	66.5	51%	0.513	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	23.8	-172.6	-45.2	-93.8	0	0	0	113.9	R339 I359 Q363	R339-D361 IonicContact CZ-OD1 3.82Å; R339-D361 IonicContact CZ-OD2 2.71Å; R339-D361 IonicContact NH1-OD2 2.81Å; R339-D361 PolarHBondContact NH1-OD2 3.39Å; R339-D361 IonicContact NH2-OD1 2.68Å; R339-D361 PolarHBondContact NH2-OD1 3.41Å; R339-D361 IonicContact NH2-OD2 2.83Å; R339-D361 PolarHBondContact NH2-OD2 3.02Å; I359-D361 PolarHBondContact O-N 3.32Å; D361-Q363 VanDerWaalsContact C-N 3.26Å; D361-Q363 PolarHBondContact O-N 3.06Å
362	G	59.2	Low	76.4	Confident	70 Å²	70	65.7 Å²	65.7	72%	0.722	37%	0.365	S	S	*	.	S	Bend	trans	75.2	-13.4	165.2	0	0	0	0	0	117.9	A360 V364	A360-G362 PolarHBondContact O-N 2.8Å; A360-G362 VanDerWaalsContact O-N 3.15Å; G362-V364 VanDerWaalsContact C-N 3.34Å; G362-V364 PolarHBondContact O-N 3.29Å
363	Q	64.7	Low	75.4	Confident	172 Å²	172	67.2 Å²	67.2	80%	0.804	38%	0.375	S	S	*	.	S	Bend	trans	-75.8	-13.1	-177.4	-72.2	-176.7	-22.9	0	0	115.3	D361	D361-Q363 VanDerWaalsContact C-N 3.26Å; D361-Q363 PolarHBondContact O-N 3.06Å
364	V	70.4	Confident	74.4	Confident	44 Å²	44	68.4 Å²	68.4	27%	0.267	38%	0.381	S	S	.	.	S	Bend	trans	-120.1	120.9	-175.6	-178.1	0	0	0	0	110.4	I359 G362 M366 A388 T389 L390	I359-V364 HydrophobicContact CB-CB 4.32Å; I359-V364 HydrophobicContact CG2-CB 4.08Å; I359-V364 HydrophobicContact CG2-CG1 4.26Å; I359-V364 HydrophobicContact CG2-CG2 4.15Å; G362-V364 VanDerWaalsContact C-N 3.34Å; G362-V364 PolarHBondContact O-N 3.29Å; V364-M366 PolarHBondContact O-N 3Å; V364-A388 HydrophobicContact CG1-CB 3.84Å; V364-T389 WeakPolarHBondContact CG1-O 3.42Å; V364-L390 HydrophobicContact CG1-CD2 4.13Å; V364-L390 HydrophobicContact CG2-CD2 4.05Å
365	M	75.6	Confident	73	Confident	171 Å²	171	75.1 Å²	75.1	84%	0.842	41%	0.412	S	S	*	.			trans	-67.9	128.3	175.1	-74.8	-73.1	-77.1	0	0	111
366	M	82.4	Confident	71.6	Confident	96 Å²	96	74.1 Å²	74.1	47%	0.473	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	123	175.5	-175	-174.6	74.4	0	0	110.3	V364 R387 V405	V364-M366 PolarHBondContact O-N 3Å; M366-R387 CarbonylContact C-O 3.59Å; M366-R387 WeakPolarHBondContact CA-O 3.36Å; M366-V405 HydrophobicContact CG-CG2 4.06Å; M366-V405 HydrophobicContact SD-CB 4.17Å; M366-V405 HydrophobicContact SD-CG1 4.14Å; M366-V405 HydrophobicContact SD-CG2 4.08Å
367	E	82.8	Confident	69.9	Low	98 Å²	98	76.2 Å²	76.2	46%	0.458	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	155.2	174.4	-67.4	-175.8	175.5	0	0	111.8	W369 G386 R387	E367-W369 PolarHBondContact O-N 2.73Å; E367-G386 CarbonylContact O-C 3.42Å; E367-G386 WeakPolarHBondContact O-CA 3.47Å; E367-R387 HydrophobicContact CB-CG 3.89Å; E367-R387 PolarHBondContact N-O 2.86Å; E367-R387 PolarHBondContact O-N 3.45Å; E367-R387 IonicContact OE1-NH2 3.57Å; E367-R387 IonicContact OE2-CZ 3.85Å; E367-R387 IonicContact OE2-NE 3.74Å; E367-R387 PolarHBondContact OE2-NE 3.42Å; E367-R387 IonicContact OE2-NH2 3.66Å; E367-R387 PolarHBondContact OE2-NH2 2.88Å
368	P	77.7	Confident	68	Low	99 Å²	99	76.6 Å²	76.6	64%	0.643	43%	0.434	S	S	*	.			trans	-59.5	130.4	177.5	-23.6	34.3	0	0	0	113.1	N370	P368-N370 PolarHBondContact O-N 2.95Å
369	W	77	Confident	66.3	Low	58 Å²	58	77.8 Å²	77.8	22%	0.22	45%	0.45	C	S	.	.			trans	-72.1	104.1	174.7	-177.4	-96.1	0	0	0	110.5	E367 A371 P372 F374 P384 R387 A404	E367-W369 PolarHBondContact O-N 2.73Å; W369-A371 HydrophobicContact CD2-CB 4.15Å; W369-A371 HydrophobicContact CH2-CB 3.96Å; W369-A371 HydrophobicContact CZ2-CB 3.28Å; W369-A371 PolarHBondContact NE1-O 3.39Å; W369-P372 PolarHBondContact NE1-O 3.4Å; W369-F374 AromaticContact CH2-CE2 3.92Å; W369-F374 HydrophobicContact CH2-CE2 3.92Å; W369-F374 AromaticContact CH2-CZ 3.6Å; W369-F374 HydrophobicContact CH2-CZ 3.6Å; W369-F374 AromaticContact CZ2-CE2 3.81Å; W369-F374 HydrophobicContact CZ2-CE2 3.81Å; W369-F374 AromaticContact CZ2-CZ 3.76Å; W369-F374 HydrophobicContact CZ2-CZ 3.76Å; W369-P384 HydrophobicContact CB-CB 4.05Å; W369-P384 HydrophobicContact CD2-CB 3.72Å; W369-P384 HydrophobicContact CD2-CG 3.67Å; W369-P384 HydrophobicContact CE3-CB 4.11Å; W369-P384 HydrophobicContact CE3-CG 4.2Å; W369-P384 HydrophobicContact CG-CB 3.68Å; W369-P384 HydrophobicContact CG-CG 3.93Å; W369-P384 HydrophobicContact CZ2-CG 4Å; W369-R387 HydrophobicContact CE3-CB 4.04Å; W369-R387 HydrophobicContact CZ3-CB 4.28Å; W369-A404 HydrophobicContact CE3-CB 3.93Å; W369-A404 HydrophobicContact CH2-CB 3.67Å; W369-A404 HydrophobicContact CZ2-CB 4.44Å; W369-A404 HydrophobicContact CZ3-CB 3.37Å
370	N	63.9	Low	65.1	Low	89 Å²	89	82.3 Å²	82.3	48%	0.476	47%	0.468	S	S	.	.			trans	-87.4	-16.7	178.2	-70.3	-48.8	0	0	0	113.5	R135 P368	R135-N370 WeakPolarHBondContact CD-O 3.31Å; R135-N370 PolarHBondContact NE-O 3.28Å; R135-N370 VanDerWaalsContact NH1-C 3.31Å; R135-N370 PolarHBondContact NH1-O 3.16Å; P368-N370 PolarHBondContact O-N 2.95Å
371	A	62.1	Low	64.9	Low	21 Å²	21	82.4 Å²	82.4	17%	0.174	46%	0.459	C	S	.	.	S	Bend	trans	-76.8	170.1	-167	0	0	0	0	0	114.9	W369	W369-A371 HydrophobicContact CD2-CB 4.15Å; W369-A371 HydrophobicContact CH2-CB 3.96Å; W369-A371 HydrophobicContact CZ2-CB 3.28Å; W369-A371 PolarHBondContact NE1-O 3.39Å
372	P	57.1	Low	65.1	Low	16 Å²	16	79.1 Å²	79.1	10%	0.104	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-59	171.4	174.4	-15.2	27.5	0	0	0	112.3	M131 T134 R135 W369	M131-P372 HydrophobicContact CB-CG 4.3Å; M131-P372 HydrophobicContact CE-CG 3.78Å; M131-P372 HydrophobicContact SD-CG 3.72Å; T134-P372 HydrophobicContact CG2-CB 4.17Å; T134-P372 HydrophobicContact CG2-CG 4.27Å; R135-P372 HydrophobicContact CG-CB 4.28Å; R135-P372 HydrophobicContact CG-CG 3.93Å; W369-P372 PolarHBondContact NE1-O 3.4Å
373	C	69.6	Low	65.9	Low	31 Å²	31	79.3 Å²	79.3	21%	0.209	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-69.5	141.2	172.4	-52.6	0	0	0	0	109.7	N381	C373-N381 HydrophobicContact CB-CB 3.59Å
374	F	67.9	Low	66.7	Low	58 Å²	58	71.6 Å²	71.6	25%	0.254	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	138.9	161.2	-65.5	-69.2	0	0	0	108.6	W369 N381 V382 P384 A404 L406	W369-F374 AromaticContact CH2-CE2 3.92Å; W369-F374 HydrophobicContact CH2-CE2 3.92Å; W369-F374 AromaticContact CH2-CZ 3.6Å; W369-F374 HydrophobicContact CH2-CZ 3.6Å; W369-F374 AromaticContact CZ2-CE2 3.81Å; W369-F374 HydrophobicContact CZ2-CE2 3.81Å; W369-F374 AromaticContact CZ2-CZ 3.76Å; W369-F374 HydrophobicContact CZ2-CZ 3.76Å; F374-N381 CarbonylContact O-C 3.58Å; F374-N381 WeakPolarHBondContact O-CA 3.39Å; F374-V382 HydrophobicContact CB-CB 4.35Å; F374-V382 PolarHBondContact N-O 3.5Å; F374-V382 PolarHBondContact O-N 2.9Å; F374-P384 HydrophobicContact CD2-CG 3.74Å; F374-P384 HydrophobicContact CE2-CG 3.51Å; F374-A404 HydrophobicContact CE2-CB 3.43Å; F374-A404 VanDerWaalsContact CE2-CB 3.43Å; F374-A404 HydrophobicContact CZ-CB 3.7Å; F374-L406 HydrophobicContact CD2-CD2 4.5Å
375	Q	62.8	Low	67.4	Low	141 Å²	141	73.3 Å²	73.3	66%	0.659	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.4	117.6	175.6	-166.6	166.7	27.3	0	0	109.8	G379	Q375-G379 PolarHBondContact NE2-O 3.27Å; Q375-G379 VanDerWaalsContact NE2-O 3.1Å
376	G	59.7	Low	67.9	Low	21 Å²	21	65.2 Å²	65.2	22%	0.216	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-69	163.1	175	0	0	0	0	0	112.4	D378 G379 K380	G376-D378 PolarHBondContact O-N 2.68Å; G376-D378 VanDerWaalsContact O-N 3.14Å; G376-G379 WeakPolarHBondContact O-CA 3.38Å; G376-G379 PolarHBondContact O-N 2.76Å; G376-K380 PolarHBondContact N-O 3.45Å
377	V	50.1	Low	68.2	Low	163 Å²	163	64.6 Å²	64.6	99%	0.988	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-19.6	178.4	-169.6	0	0	0	0	112.3	G379	V377-G379 VanDerWaalsContact C-N 3.28Å
378	D	47.6	Very low	68.5	Low	57 Å²	57	60.1 Å²	60.1	31%	0.305	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	5.8	171.4	73.8	-16.8	0	0	0	114	A315 G376 K380	A315-D378 HydrophobicContact CB-CB 3.76Å; G376-D378 PolarHBondContact O-N 2.68Å; G376-D378 VanDerWaalsContact O-N 3.14Å; D378-K380 VanDerWaalsContact C-N 3.31Å; D378-K380 PolarHBondContact O-N 2.94Å; D378-K380 WeakPolarHBondContact OD1-CB 3.44Å; D378-K380 PolarHBondContact OD1-N 2.75Å; D378-K380 WeakPolarHBondContact OD2-CD 3.49Å; D378-K380 WeakPolarHBondContact OD2-CG 3.43Å; D378-K380 IonicContact OD2-NZ 2.7Å; D378-K380 PolarHBondContact OD2-NZ 3.28Å
379	G	46	Very low	69	Low	39 Å²	39	58.5 Å²	58.5	40%	0.402	32%	0.318	S	S	.	.	S	Bend	trans	79.9	-0.8	-179.1	0	0	0	0	0	115.2	Q375 G376 V377	Q375-G379 PolarHBondContact NE2-O 3.27Å; Q375-G379 VanDerWaalsContact NE2-O 3.1Å; G376-G379 WeakPolarHBondContact O-CA 3.38Å; G376-G379 PolarHBondContact O-N 2.76Å; V377-G379 VanDerWaalsContact C-N 3.28Å
380	K	56.1	Low	69.5	Low	116 Å²	116	55.8 Å²	55.8	50%	0.504	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-79.8	147.9	-178.4	-64.9	-168	-170.7	93.4	0	112.7	G376 D378	G376-K380 PolarHBondContact N-O 3.45Å; D378-K380 VanDerWaalsContact C-N 3.31Å; D378-K380 PolarHBondContact O-N 2.94Å; D378-K380 WeakPolarHBondContact OD1-CB 3.44Å; D378-K380 PolarHBondContact OD1-N 2.75Å; D378-K380 WeakPolarHBondContact OD2-CD 3.49Å; D378-K380 WeakPolarHBondContact OD2-CG 3.43Å; D378-K380 IonicContact OD2-NZ 2.7Å; D378-K380 PolarHBondContact OD2-NZ 3.28Å
381	N	64.3	Low	70.7	Confident	75 Å²	75	55 Å²	55	40%	0.401	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	122.5	173.5	-73.1	14.2	0	0	0	110.7	C373 F374	C373-N381 HydrophobicContact CB-CB 3.59Å; F374-N381 CarbonylContact O-C 3.58Å; F374-N381 WeakPolarHBondContact O-CA 3.39Å
382	V	70.6	Confident	71.9	Confident	26 Å²	26	54 Å²	54	16%	0.158	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	125.4	170.2	-177.9	0	0	0	0	108.2	L316 F374 L406	L316-V382 HydrophobicContact CD1-CG2 4.31Å; L316-V382 HydrophobicContact CD2-CG2 3.95Å; F374-V382 HydrophobicContact CB-CB 4.35Å; F374-V382 PolarHBondContact N-O 3.5Å; F374-V382 PolarHBondContact O-N 2.9Å; V382-L406 HydrophobicContact CG1-CD2 3.86Å
383	L	75.1	Confident	73.3	Confident	74 Å²	74	55.6 Å²	55.6	39%	0.387	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-101.3	122.1	175	-85.1	114.7	0	0	0	110.9	P407	L383-P407 WeakPolarHBondContact O-CD 3.31Å
384	P	83	Confident	73.9	Confident	11 Å²	11	55.3 Å²	55.3	7%	0.071	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-67.3	155.5	163.1	-20.1	35.1	0	0	0	112	W369 F374 A404 V405 L406	W369-P384 HydrophobicContact CB-CB 4.05Å; W369-P384 HydrophobicContact CD2-CB 3.72Å; W369-P384 HydrophobicContact CD2-CG 3.67Å; W369-P384 HydrophobicContact CE3-CB 4.11Å; W369-P384 HydrophobicContact CE3-CG 4.2Å; W369-P384 HydrophobicContact CG-CB 3.68Å; W369-P384 HydrophobicContact CG-CG 3.93Å; W369-P384 HydrophobicContact CZ2-CG 4Å; F374-P384 HydrophobicContact CD2-CG 3.74Å; F374-P384 HydrophobicContact CE2-CG 3.51Å; P384-A404 HydrophobicContact CB-CB 4.19Å; P384-A404 HydrophobicContact CG-CB 3.97Å; P384-V405 CarbonylContact C-O 3.6Å; P384-V405 WeakPolarHBondContact CA-O 3.41Å; P384-V405 VanDerWaalsContact CB-O 3.28Å; P384-V405 WeakPolarHBondContact CB-O 3.42Å; P384-L406 HydrophobicContact CB-CD2 4.12Å; P384-L406 HydrophobicContact CG-CD2 3.85Å
385	I	84.5	Confident	74.6	Confident	80 Å²	80	58.7 Å²	58.7	41%	0.41	32%	0.32	S	S	.	.	S	Bend	trans	-93	-13.9	172.7	40.8	172	0	0	0	113	K356 V405 P407	K356-I385 HydrophobicContact CB-CD1 3.83Å; K356-I385 HydrophobicContact CD-CD1 4.09Å; I385-V405 HydrophobicContact CD1-CG1 3.94Å; I385-V405 HydrophobicContact CG1-CB 4.15Å; I385-V405 HydrophobicContact CG1-CG1 3.79Å; I385-V405 VanDerWaalsContact CG1-O 3.24Å; I385-V405 WeakPolarHBondContact CG1-O 3.38Å; I385-V405 PolarHBondContact N-O 3.33Å; I385-P407 HydrophobicContact CD1-CB 4.12Å; I385-P407 HydrophobicContact CG1-CB 4.38Å; I385-P407 HydrophobicContact CG2-CB 4.12Å; I385-P407 HydrophobicContact CG2-CG 4.41Å
386	G	86.1	Confident	75.2	Confident	0 Å²	0	55 Å²	55	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.6	-179.9	176.5	0	0	0	0	0	112.7	E367 V405	E367-G386 CarbonylContact O-C 3.42Å; E367-G386 WeakPolarHBondContact O-CA 3.47Å; G386-V405 PolarHBondContact O-N 3.09Å
387	R	87.7	Confident	76	Confident	84 Å²	84	59.2 Å²	59.2	32%	0.317	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	155.2	156	72.1	169.8	-171.6	155.7	6.5	109.8	M366 E367 W369 E402 V403	M366-R387 CarbonylContact C-O 3.59Å; M366-R387 WeakPolarHBondContact CA-O 3.36Å; E367-R387 HydrophobicContact CB-CG 3.89Å; E367-R387 PolarHBondContact N-O 2.86Å; E367-R387 PolarHBondContact O-N 3.45Å; E367-R387 IonicContact OE1-NH2 3.57Å; E367-R387 IonicContact OE2-CZ 3.85Å; E367-R387 IonicContact OE2-NE 3.74Å; E367-R387 PolarHBondContact OE2-NE 3.42Å; E367-R387 IonicContact OE2-NH2 3.66Å; E367-R387 PolarHBondContact OE2-NH2 2.88Å; W369-R387 HydrophobicContact CE3-CB 4.04Å; W369-R387 HydrophobicContact CZ3-CB 4.28Å; R387-E402 VanDerWaalsContact CD-OE1 3.28Å; R387-E402 WeakPolarHBondContact CD-OE1 3.43Å; R387-E402 IonicContact CZ-OE1 3.7Å; R387-E402 IonicContact NE-OE1 3.88Å; R387-E402 IonicContact NH1-OE1 3.76Å; R387-E402 PolarHBondContact NH1-OE1 3.09Å; R387-E402 IonicContact NH1-OE2 2.73Å; R387-E402 PolarHBondContact NH1-OE2 3.21Å; R387-E402 VanDerWaalsContact NH1-OE2 3.08Å; R387-V403 WeakPolarHBondContact CA-O 3.2Å
388	A	88.6	Confident	77.6	Confident	3 Å²	3	55.4 Å²	55.4	3%	0.025	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	151.4	171.5	0	0	0	0	0	109.6	I359 V364 V403 V405	I359-A388 HydrophobicContact CD1-CB 4.12Å; V364-A388 HydrophobicContact CG1-CB 3.84Å; A388-V403 HydrophobicContact CB-CG2 4.14Å; A388-V403 PolarHBondContact N-O 2.98Å; A388-V403 WeakPolarHBondContact O-CG2 3.5Å; A388-V403 PolarHBondContact O-N 3.41Å; A388-V405 HydrophobicContact CB-CG2 4.05Å
389	T	88.7	Confident	79.3	Confident	65 Å²	65	54.3 Å²	54.3	40%	0.399	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	127.3	166.8	-55.4	0	0	0	0	108.3	V364 E400	V364-T389 WeakPolarHBondContact CG1-O 3.42Å; T389-E400 HydrophobicContact CG2-CB 4.05Å; T389-E400 HydrophobicContact CG2-CG 4.31Å
390	L	88.4	Confident	81.2	Confident	2 Å²	2	58.7 Å²	58.7	1%	0.01	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	128.2	172.3	-68.4	-177.5	0	0	0	110.4	V336 V354 L358 I359 V364 L392 V401 V403 L413	V336-L390 HydrophobicContact CG1-CD1 4.11Å; V336-L390 HydrophobicContact CG1-CD2 3.81Å; V336-L390 HydrophobicContact CG1-CG 4.4Å; V354-L390 HydrophobicContact CG2-CD1 4.17Å; L358-L390 HydrophobicContact CD2-CD1 4.49Å; I359-L390 HydrophobicContact CG2-CD2 3.73Å; V364-L390 HydrophobicContact CG1-CD2 4.13Å; V364-L390 HydrophobicContact CG2-CD2 4.05Å; L390-L392 HydrophobicContact CB-CD2 3.84Å; L390-L392 HydrophobicContact CB-CG 4.49Å; L390-L392 HydrophobicContact CD1-CD2 4.24Å; L390-L392 PolarHBondContact O-N 3.15Å; L390-V401 PolarHBondContact N-O 2.91Å; L390-V401 PolarHBondContact O-N 2.77Å; L390-V403 HydrophobicContact CD1-CG1 4.11Å; L390-V403 HydrophobicContact CD1-CG2 3.75Å; L390-V403 HydrophobicContact CG-CG2 3.73Å; L390-L413 HydrophobicContact CD1-CD1 4.29Å
391	T	88.4	Confident	82.7	Confident	73 Å²	73	53.1 Å²	53.1	45%	0.448	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	104.7	160.2	-42.5	0	0	0	0	108.1	P398 F399	T391-P398 HydrophobicContact CG2-CB 3.93Å; T391-F399 WeakPolarHBondContact CA-O 3.42Å
392	L	88.3	Confident	83.8	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	129.3	171.9	-52.8	-173.8	0	0	0	108.6	V334 S335 V336 L390 P398 F399 V401 L413 L415	V334-L392 HydrophobicContact CB-CB 4.34Å; V334-L392 HydrophobicContact CG2-CD2 4.3Å; S335-L392 WeakPolarHBondContact O-CA 3.3Å; V336-L392 HydrophobicContact CG2-CD2 3.64Å; L390-L392 HydrophobicContact CB-CD2 3.84Å; L390-L392 HydrophobicContact CB-CG 4.49Å; L390-L392 HydrophobicContact CD1-CD2 4.24Å; L390-L392 PolarHBondContact O-N 3.15Å; L392-P398 CarbonylContact O-C 3.53Å; L392-P398 WeakPolarHBondContact O-CA 3.3Å; L392-F399 PolarHBondContact N-O 3.39Å; L392-F399 PolarHBondContact O-N 2.93Å; L392-V401 HydrophobicContact CD1-CB 3.97Å; L392-V401 HydrophobicContact CD1-CG1 4.46Å; L392-V401 HydrophobicContact CD1-CG2 3.63Å; L392-V401 HydrophobicContact CG-CB 4.23Å; L392-V401 HydrophobicContact CG-CG2 4.09Å; L392-L413 HydrophobicContact CD1-CD2 4.4Å; L392-L413 HydrophobicContact CD2-CD2 3.79Å; L392-L415 HydrophobicContact CD1-CD2 3.58Å
393	V	86	Confident	84.8	Confident	48 Å²	48	52.1 Å²	52.1	29%	0.291	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	126.9	170.7	177.1	0	0	0	0	109.7	V334 S335 Q397 P398	V334-V393 WeakPolarHBondContact CA-O 3.43Å; S335-V393 PolarHBondContact N-O 2.93Å; S335-V393 PolarHBondContact O-N 3.1Å; S335-V393 WeakPolarHBondContact OG-CB 3.39Å; V393-Q397 WeakPolarHBondContact CA-O 3.17Å; V393-P398 HydrophobicContact CG2-CB 4.18Å
394	H	82.9	Confident	85.4	Confident	25 Å²	25	48.7 Å²	48.7	12%	0.116	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	127.5	176.6	-175.4	69.4	0	0	0	109.9	L332 R333 V334 G396 Q397 F399 L423	L332-H394 VanDerWaalsContact CD1-CE1 3.42Å; L332-H394 WeakPolarHBondContact CD1-CE1 3.24Å; R333-H394 PolarHBondContact O-ND1 3.36Å; V334-H394 HydrophobicContact CG1-CB 4.24Å; H394-G396 PolarHBondContact O-N 3.18Å; H394-Q397 PolarHBondContact N-O 3.11Å; H394-Q397 PolarHBondContact O-N 3.26Å; H394-F399 HydrophobicContact CB-CE2 4.32Å; H394-L423 HydrophobicContact CB-CD2 4.29Å
395	Q	80.7	Confident	85.7	Confident	129 Å²	129	48.2 Å²	48.2	60%	0.603	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	37.4	-174.7	-62.5	174.4	-7.9	0	0	113.4	Q397	Q395-Q397 PolarHBondContact O-N 2.78Å
396	G	76.5	Confident	85.8	Confident	64 Å²	64	44.9 Å²	44.9	66%	0.66	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.4	1.2	-178.1	0	0	0	0	0	115.7	H394	H394-G396 PolarHBondContact O-N 3.18Å
397	Q	76.2	Confident	85.4	Confident	110 Å²	110	47.9 Å²	47.9	51%	0.514	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	129.7	174.3	-69.5	-80.5	-71.8	0	0	109.9	V393 H394 Q395 F399	V393-Q397 WeakPolarHBondContact CA-O 3.17Å; H394-Q397 PolarHBondContact N-O 3.11Å; H394-Q397 PolarHBondContact O-N 3.26Å; Q395-Q397 PolarHBondContact O-N 2.78Å; Q397-F399 HydrophobicContact CB-CD2 4.36Å; Q397-F399 HydrophobicContact CB-CE2 3.43Å; Q397-F399 VanDerWaalsContact CB-CE2 3.43Å; Q397-F399 HydrophobicContact CB-CZ 3.65Å; Q397-F399 VanDerWaalsContact O-CD2 3.23Å; Q397-F399 WeakPolarHBondContact O-CD2 3.31Å; Q397-F399 VanDerWaalsContact O-CE2 3.23Å; Q397-F399 WeakPolarHBondContact O-CE2 3.07Å
398	P	84.3	Confident	84.7	Confident	82 Å²	82	48.1 Å²	48.1	53%	0.532	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	142	173.8	33.6	-32.8	0	0	0	112	T391 L392 V393	T391-P398 HydrophobicContact CG2-CB 3.93Å; L392-P398 CarbonylContact O-C 3.53Å; L392-P398 WeakPolarHBondContact O-CA 3.3Å; V393-P398 HydrophobicContact CG2-CB 4.18Å
399	F	82.1	Confident	83.8	Confident	35 Å²	35	49 Å²	49	15%	0.154	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	132.4	-179.9	-57.8	-93.5	0	0	0	110.7	T391 L392 H394 Q397 K422 L423	T391-F399 WeakPolarHBondContact CA-O 3.42Å; L392-F399 PolarHBondContact N-O 3.39Å; L392-F399 PolarHBondContact O-N 2.93Å; H394-F399 HydrophobicContact CB-CE2 4.32Å; Q397-F399 HydrophobicContact CB-CD2 4.36Å; Q397-F399 HydrophobicContact CB-CE2 3.43Å; Q397-F399 VanDerWaalsContact CB-CE2 3.43Å; Q397-F399 HydrophobicContact CB-CZ 3.65Å; Q397-F399 VanDerWaalsContact O-CD2 3.23Å; Q397-F399 WeakPolarHBondContact O-CD2 3.31Å; Q397-F399 VanDerWaalsContact O-CE2 3.23Å; Q397-F399 WeakPolarHBondContact O-CE2 3.07Å; F399-K422 VanDerWaalsContact CD1-O 3.3Å; F399-K422 WeakPolarHBondContact CD1-O 3.44Å; F399-K422 WeakPolarHBondContact CE1-O 3.21Å; F399-L423 HydrophobicContact CB-CD2 4.05Å; F399-L423 HydrophobicContact CD1-CD2 4.02Å; F399-L423 HydrophobicContact CD2-CD2 3.34Å; F399-L423 HydrophobicContact CE1-CD2 4.27Å; F399-L423 HydrophobicContact CE2-CD2 3.63Å; F399-L423 HydrophobicContact CG-CD2 3.54Å; F399-L423 HydrophobicContact CG-CG 4.41Å; F399-L423 HydrophobicContact CZ-CD2 4.09Å
400	E	87.2	Confident	82.8	Confident	130 Å²	130	48.1 Å²	48.1	61%	0.607	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.4	117.7	175	-68	-158.1	143.1	0	0	112.5	T389 K422	T389-E400 HydrophobicContact CG2-CB 4.05Å; T389-E400 HydrophobicContact CG2-CG 4.31Å; E400-K422 WeakPolarHBondContact O-CD 3.41Å; E400-K422 PolarHBondContact O-NZ 3.44Å
401	V	87.1	Confident	82.3	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	122.9	179.2	178.3	0	0	0	0	109.6	S352 L390 L392 V403 A419	S352-V401 WeakPolarHBondContact OG-CG1 3.28Å; L390-V401 PolarHBondContact N-O 2.91Å; L390-V401 PolarHBondContact O-N 2.77Å; L392-V401 HydrophobicContact CD1-CB 3.97Å; L392-V401 HydrophobicContact CD1-CG1 4.46Å; L392-V401 HydrophobicContact CD1-CG2 3.63Å; L392-V401 HydrophobicContact CG-CB 4.23Å; L392-V401 HydrophobicContact CG-CG2 4.09Å; V401-V403 HydrophobicContact CG1-CG1 4.1Å; V401-A419 HydrophobicContact CG1-CB 3.82Å; V401-A419 HydrophobicContact CG2-CB 4.03Å
402	E	88.1	Confident	82.2	Confident	77 Å²	77	49 Å²	49	36%	0.36	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	131.3	165.2	-80.7	-162.5	59.2	0	0	109.4	R387	R387-E402 VanDerWaalsContact CD-OE1 3.28Å; R387-E402 WeakPolarHBondContact CD-OE1 3.43Å; R387-E402 IonicContact CZ-OE1 3.7Å; R387-E402 IonicContact NE-OE1 3.88Å; R387-E402 IonicContact NH1-OE1 3.76Å; R387-E402 PolarHBondContact NH1-OE1 3.09Å; R387-E402 IonicContact NH1-OE2 2.73Å; R387-E402 PolarHBondContact NH1-OE2 3.21Å; R387-E402 VanDerWaalsContact NH1-OE2 3.08Å
403	V	90.1	Very high	82.4	Confident	2 Å²	2	49 Å²	49	1%	0.012	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	135.7	176.4	-66.7	0	0	0	0	110.8	S352 V354 R387 A388 L390 V401 L413	S352-V403 WeakPolarHBondContact O-CA 3.28Å; V354-V403 HydrophobicContact CB-CB 4.05Å; V354-V403 HydrophobicContact CB-CG2 3.91Å; V354-V403 HydrophobicContact CG1-CB 3.96Å; V354-V403 HydrophobicContact CG1-CG2 3.48Å; V354-V403 VanDerWaalsContact CG1-CG2 3.48Å; R387-V403 WeakPolarHBondContact CA-O 3.2Å; A388-V403 HydrophobicContact CB-CG2 4.14Å; A388-V403 PolarHBondContact N-O 2.98Å; A388-V403 WeakPolarHBondContact O-CG2 3.5Å; A388-V403 PolarHBondContact O-N 3.41Å; L390-V403 HydrophobicContact CD1-CG1 4.11Å; L390-V403 HydrophobicContact CD1-CG2 3.75Å; L390-V403 HydrophobicContact CG-CG2 3.73Å; V401-V403 HydrophobicContact CG1-CG1 4.1Å; V403-L413 HydrophobicContact CG1-CD1 3.85Å
404	A	88.7	Confident	82.5	Confident	2 Å²	2	46.7 Å²	46.7	2%	0.017	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	127.8	167.1	0	0	0	0	0	110.2	S352 F353 V354 W369 F374 P384 L406	S352-A404 PolarHBondContact O-N 3.34Å; F353-A404 CarbonylContact C-O 3.6Å; F353-A404 VanDerWaalsContact CA-O 3.23Å; F353-A404 WeakPolarHBondContact CA-O 3.5Å; F353-A404 HydrophobicContact CB-CB 4.24Å; F353-A404 WeakPolarHBondContact CB-O 3.15Å; V354-A404 PolarHBondContact N-O 3.48Å; W369-A404 HydrophobicContact CE3-CB 3.93Å; W369-A404 HydrophobicContact CH2-CB 3.67Å; W369-A404 HydrophobicContact CZ2-CB 4.44Å; W369-A404 HydrophobicContact CZ3-CB 3.37Å; F374-A404 HydrophobicContact CE2-CB 3.43Å; F374-A404 VanDerWaalsContact CE2-CB 3.43Å; F374-A404 HydrophobicContact CZ-CB 3.7Å; P384-A404 HydrophobicContact CB-CB 4.19Å; P384-A404 HydrophobicContact CG-CB 3.97Å; A404-L406 PolarHBondContact O-N 2.84Å
405	V	90.2	Very high	82.8	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.006	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	113.5	-178	-172.7	0	0	0	0	109.6	V354 K356 I359 M366 P384 I385 G386 A388	V354-V405 HydrophobicContact CG1-CB 4.33Å; V354-V405 HydrophobicContact CG1-CG1 4.43Å; V354-V405 HydrophobicContact CG1-CG2 4.01Å; K356-V405 HydrophobicContact CB-CG1 4.09Å; I359-V405 HydrophobicContact CD1-CB 4.27Å; I359-V405 HydrophobicContact CD1-CG1 3.76Å; I359-V405 HydrophobicContact CD1-CG2 3.46Å; I359-V405 VanDerWaalsContact CD1-CG2 3.46Å; M366-V405 HydrophobicContact CG-CG2 4.06Å; M366-V405 HydrophobicContact SD-CB 4.17Å; M366-V405 HydrophobicContact SD-CG1 4.14Å; M366-V405 HydrophobicContact SD-CG2 4.08Å; P384-V405 CarbonylContact C-O 3.6Å; P384-V405 WeakPolarHBondContact CA-O 3.41Å; P384-V405 VanDerWaalsContact CB-O 3.28Å; P384-V405 WeakPolarHBondContact CB-O 3.42Å; I385-V405 HydrophobicContact CD1-CG1 3.94Å; I385-V405 HydrophobicContact CG1-CB 4.15Å; I385-V405 HydrophobicContact CG1-CG1 3.79Å; I385-V405 VanDerWaalsContact CG1-O 3.24Å; I385-V405 WeakPolarHBondContact CG1-O 3.38Å; I385-V405 PolarHBondContact N-O 3.33Å; G386-V405 PolarHBondContact O-N 3.09Å; A388-V405 HydrophobicContact CB-CG2 4.05Å
406	L	86.3	Confident	83.1	Confident	10 Å²	10	39.4 Å²	39.4	5%	0.052	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	135.7	179.6	-62.5	-178.4	0	0	0	111.1	F353 V354 K356 F374 V382 P384 A404 S408 C409	F353-L406 HydrophobicContact CB-CD1 3.88Å; F353-L406 HydrophobicContact CB-CG 4.13Å; F353-L406 HydrophobicContact CD2-CD1 3.58Å; F353-L406 HydrophobicContact CE2-CD1 4.34Å; F353-L406 HydrophobicContact CG-CD1 3.92Å; V354-L406 PolarHBondContact O-N 2.9Å; K356-L406 PolarHBondContact N-O 3.36Å; K356-L406 VanDerWaalsContact N-O 3.11Å; F374-L406 HydrophobicContact CD2-CD2 4.5Å; V382-L406 HydrophobicContact CG1-CD2 3.86Å; P384-L406 HydrophobicContact CB-CD2 4.12Å; P384-L406 HydrophobicContact CG-CD2 3.85Å; A404-L406 PolarHBondContact O-N 2.84Å; L406-S408 VanDerWaalsContact C-N 3.25Å; L406-S408 PolarHBondContact O-N 3.22Å; L406-C409 HydrophobicContact CB-CB 3.9Å; L406-C409 HydrophobicContact CD1-CB 3.57Å; L406-C409 HydrophobicContact CG-CB 4.38Å
407	P	78	Confident	83.3	Confident	63 Å²	63	37.8 Å²	37.8	41%	0.409	21%	0.21	S	C	.	.	S	Bend	trans	-71.4	-23.3	179.9	29.9	-35.2	0	0	0	112.6	L383 I385	L383-P407 WeakPolarHBondContact O-CD 3.31Å; I385-P407 HydrophobicContact CD1-CB 4.12Å; I385-P407 HydrophobicContact CG1-CB 4.38Å; I385-P407 HydrophobicContact CG2-CB 4.12Å; I385-P407 HydrophobicContact CG2-CG 4.41Å
408	S	71.7	Confident	83.6	Confident	90 Å²	90	35 Å²	35	63%	0.629	20%	0.197	S	C	*	.	S	Bend	trans	-157.2	134.3	169.1	-177.2	0	0	0	0	108.2	L406	L406-S408 VanDerWaalsContact C-N 3.25Å; L406-S408 PolarHBondContact O-N 3.22Å
409	C	70.9	Confident	83.6	Confident	20 Å²	20	31 Å²	31	14%	0.135	17%	0.171	C	C	.	.			trans	-156.6	157.8	176.6	59.8	0	0	0	0	110.4	H355 L406 C411	H355-C409 PolarHBondContact CD2-N 2.98Å; H355-C409 VanDerWaalsContact CD2-SG 3.59Å; L406-C409 HydrophobicContact CB-CB 3.9Å; L406-C409 HydrophobicContact CD1-CB 3.57Å; L406-C409 HydrophobicContact CG-CB 4.38Å; C409-C411 PolarHBondContact O-N 3.11Å; C409-C411 PolarHBondContact SG-O 3.06Å
410	P	66.5	Low	83.5	Confident	48 Å²	48	30 Å²	30	31%	0.312	17%	0.168	S	C	.	.	S	Bend	trans	-68	-9.7	-174	21.4	-32.5	0	0	0	116.4	L316 F318	L316-P410 WeakPolarHBondContact O-CD 3.4Å; L316-P410 WeakPolarHBondContact O-CG 3.42Å; F318-P410 HydrophobicContact CB-CB 3.51Å; F318-P410 HydrophobicContact CB-CG 3.88Å; F318-P410 WeakPolarHBondContact O-CB 3.4Å
411	C	77.8	Confident	83	Confident	13 Å²	13	28.6 Å²	28.6	9%	0.088	16%	0.162	C	C	.	.	S	Bend	trans	-141	144	-169.9	54.7	0	0	0	0	111	L320 V344 C409 L413	L320-C411 HydrophobicContact CD1-CB 3.59Å; V344-C411 HydrophobicContact CG2-CB 4.06Å; C409-C411 PolarHBondContact O-N 3.11Å; C409-C411 PolarHBondContact SG-O 3.06Å; C411-L413 VanDerWaalsContact C-N 3.29Å; C411-L413 PolarHBondContact O-N 3.25Å
412	M	87.7	Confident	82.5	Confident	79 Å²	79	33.3 Å²	33.3	39%	0.389	18%	0.182	S	C	.	.	S	Bend	trans	-62.6	-37.7	178.2	-72.9	-63.4	-68	0	0	112.5	V341 V354 H355 L358	V341-M412 HydrophobicContact CG1-CB 3.9Å; V354-M412 WeakPolarHBondContact CG2-O 3.34Å; H355-M412 HydrophobicContact CB-SD 4.29Å; H355-M412 PolarHBondContact N-O 3.19Å; L358-M412 HydrophobicContact CB-CE 3.9Å; L358-M412 HydrophobicContact CD1-CE 3.72Å; L358-M412 HydrophobicContact CG-CE 4.39Å
413	L	90.5	Very high	81.9	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	139.9	176.8	178.9	59.1	0	0	0	108.9	V334 V336 V341 A343 V344 V354 L358 L390 L392 V403 C411 L415	V334-L413 HydrophobicContact CG2-CD2 3.82Å; V336-L413 HydrophobicContact CG2-CD2 4.29Å; V341-L413 HydrophobicContact CG1-CB 3.87Å; A343-L413 WeakPolarHBondContact CA-O 3.37Å; A343-L413 HydrophobicContact CB-CB 4.08Å; A343-L413 HydrophobicContact CB-CD2 3.9Å; A343-L413 HydrophobicContact CB-CG 3.85Å; V344-L413 PolarHBondContact N-O 2.85Å; V354-L413 HydrophobicContact CB-CD1 4.2Å; V354-L413 HydrophobicContact CG2-CD1 4.34Å; L358-L413 HydrophobicContact CD2-CB 4.42Å; L390-L413 HydrophobicContact CD1-CD1 4.29Å; L392-L413 HydrophobicContact CD1-CD2 4.4Å; L392-L413 HydrophobicContact CD2-CD2 3.79Å; V403-L413 HydrophobicContact CG1-CD1 3.85Å; C411-L413 VanDerWaalsContact C-N 3.29Å; C411-L413 PolarHBondContact O-N 3.25Å; L413-L415 HydrophobicContact CD1-CD2 4.36Å; L413-L415 HydrophobicContact CD2-CD2 4.27Å; L413-L415 HydrophobicContact CG-CD2 4.18Å
414	A	89.4	Confident	81.1	Confident	1 Å²	1	31 Å²	31	1%	0.008	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	139.5	166.9	0	0	0	0	0	110.4	V344 S352 F353	V344-A414 HydrophobicContact CB-CB 4.33Å; V344-A414 CarbonylContact O-C 3.51Å; V344-A414 WeakPolarHBondContact O-CA 3.44Å; S352-A414 CarbonylContact C-O 3.59Å; S352-A414 VanDerWaalsContact CA-O 3.29Å; S352-A414 WeakPolarHBondContact CA-O 3.37Å; S352-A414 VanDerWaalsContact CB-O 3.22Å; S352-A414 WeakPolarHBondContact CB-O 3.46Å; F353-A414 HydrophobicContact CD1-CB 4.37Å; F353-A414 HydrophobicContact CD2-CB 3.73Å; F353-A414 HydrophobicContact CE1-CB 4.07Å; F353-A414 HydrophobicContact CE2-CB 3.38Å; F353-A414 HydrophobicContact CG-CB 4.22Å; F353-A414 HydrophobicContact CZ-CB 3.57Å; F353-A414 PolarHBondContact N-O 2.85Å; F353-A414 PolarHBondContact O-N 2.82Å
415	L	89.9	Confident	80.5	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	117.8	-178.6	-57.1	-178.8	0	0	0	109	L332 A343 V344 I345 D346 L392 L413 A419 L423	L332-L415 HydrophobicContact CB-CD1 4.31Å; L332-L415 HydrophobicContact CD2-CD1 3.79Å; A343-L415 HydrophobicContact CB-CD1 4.04Å; A343-L415 HydrophobicContact CB-CG 3.95Å; V344-L415 PolarHBondContact O-N 3.38Å; I345-L415 HydrophobicContact CG1-CB 4.44Å; D346-L415 PolarHBondContact N-O 2.89Å; L392-L415 HydrophobicContact CD1-CD2 3.58Å; L413-L415 HydrophobicContact CD1-CD2 4.36Å; L413-L415 HydrophobicContact CD2-CD2 4.27Å; L413-L415 HydrophobicContact CG-CD2 4.18Å; L415-A419 HydrophobicContact CB-CB 3.98Å; L415-A419 HydrophobicContact CD2-CB 4.06Å; L415-A419 HydrophobicContact CG-CB 4.49Å; L415-L423 HydrophobicContact CD1-CD1 4.1Å
416	G	86.1	Confident	79.4	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.201	C	C	.	.			trans	-77.9	177.7	170.5	0	0	0	0	0	112.1	A349 S352 E418 A419 L420	A349-G416 CarbonylContact O-C 3.22Å; A349-G416 WeakPolarHBondContact O-CA 3.32Å; S352-G416 PolarHBondContact OG-N 2.86Å; G416-E418 PolarHBondContact O-N 2.8Å; G416-A419 PolarHBondContact O-N 3.3Å; G416-A419 VanDerWaalsContact O-N 3.08Å; G416-L420 PolarHBondContact O-N 2.93Å
417	T	80.7	Confident	78.8	Confident	30 Å²	30	35.4 Å²	35.4	18%	0.184	20%	0.204	C	C	.	.	H	α-helix	trans	-61.6	-27.3	179.8	58.7	0	0	0	0	113.4	A349 T350 L420 M421	A349-T417 PolarHBondContact O-N 2.98Å; T350-T417 PolarHBondContact O-N 3.08Å; T417-L420 PolarHBondContact O-N 3.28Å; T417-M421 VanDerWaalsContact O-CE 3.28Å; T417-M421 WeakPolarHBondContact O-CE 3.26Å; T417-M421 PolarHBondContact O-N 2.9Å; T417-M421 VanDerWaalsContact O-N 3.11Å
418	E	82.2	Confident	78.1	Confident	51 Å²	51	38.9 Å²	38.9	24%	0.238	21%	0.209	C	C	.	.	H	α-helix	trans	-60.1	-44.6	172.1	-169.1	-154.1	132	0	0	112.1	T350 G416 M421 K422	T350-E418 WeakPolarHBondContact O-CB 3.34Å; T350-E418 PolarHBondContact O-N 3.39Å; T350-E418 VanDerWaalsContact O-N 3.1Å; G416-E418 PolarHBondContact O-N 2.8Å; E418-M421 PolarHBondContact O-N 3.46Å; E418-K422 PolarHBondContact O-N 3.49Å; E418-K422 VanDerWaalsContact OE1-CE 3.24Å; E418-K422 WeakPolarHBondContact OE1-CE 3.29Å; E418-K422 IonicContact OE1-NZ 2.71Å; E418-K422 PolarHBondContact OE1-NZ 3.08Å
419	A	84.2	Confident	77.5	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-68.5	-39.8	-179.8	0	0	0	0	0	111.7	S352 V401 L415 G416 M421 K422 L423	S352-A419 WeakPolarHBondContact OG-CB 3.44Å; V401-A419 HydrophobicContact CG1-CB 3.82Å; V401-A419 HydrophobicContact CG2-CB 4.03Å; L415-A419 HydrophobicContact CB-CB 3.98Å; L415-A419 HydrophobicContact CD2-CB 4.06Å; L415-A419 HydrophobicContact CG-CB 4.49Å; G416-A419 PolarHBondContact O-N 3.3Å; G416-A419 VanDerWaalsContact O-N 3.08Å; A419-M421 VanDerWaalsContact C-N 3.32Å; A419-M421 PolarHBondContact O-N 3.37Å; A419-K422 PolarHBondContact O-N 3.36Å; A419-L423 WeakPolarHBondContact O-CB 3.14Å; A419-L423 VanDerWaalsContact O-CD1 3.3Å; A419-L423 WeakPolarHBondContact O-CD1 3.46Å; A419-L423 WeakPolarHBondContact O-CG 3.25Å; A419-L423 PolarHBondContact O-N 2.84Å
420	L	80.7	Confident	76.7	Confident	14 Å²	14	42.8 Å²	42.8	7%	0.073	22%	0.218	C	C	.	.	H	α-helix	trans	-57.1	-45.3	172.8	-70.4	179.4	0	0	0	111.9	I345 G416 T417 L423 G424 L425	I345-L420 HydrophobicContact CD1-CD2 3.97Å; I345-L420 HydrophobicContact CG1-CD2 4.11Å; I345-L420 HydrophobicContact CG2-CD1 3.74Å; I345-L420 HydrophobicContact CG2-CD2 4.01Å; I345-L420 HydrophobicContact CG2-CG 4.16Å; G416-L420 PolarHBondContact O-N 2.93Å; T417-L420 PolarHBondContact O-N 3.28Å; L420-L423 PolarHBondContact O-N 3.35Å; L420-G424 PolarHBondContact O-N 2.95Å; L420-G424 VanDerWaalsContact O-N 3.17Å; L420-L425 HydrophobicContact CD2-CB 4.24Å; L420-L425 PolarHBondContact O-N 3.27Å
421	M	76.6	Confident	75.6	Confident	100 Å²	100	45.1 Å²	45.1	49%	0.493	23%	0.234	S	C	.	.	H	α-helix	trans	-64.3	-43.8	177.6	-74.2	-176.9	-82.8	0	0	111.8	V68 T417 E418 A419 L423 G424	V68-M421 HydrophobicContact CG2-CE 3.97Å; T417-M421 VanDerWaalsContact O-CE 3.28Å; T417-M421 WeakPolarHBondContact O-CE 3.26Å; T417-M421 PolarHBondContact O-N 2.9Å; T417-M421 VanDerWaalsContact O-N 3.11Å; E418-M421 PolarHBondContact O-N 3.46Å; A419-M421 VanDerWaalsContact C-N 3.32Å; A419-M421 PolarHBondContact O-N 3.37Å; M421-L423 VanDerWaalsContact C-N 3.3Å; M421-L423 PolarHBondContact O-N 2.97Å; M421-G424 PolarHBondContact O-N 2.79Å; M421-G424 VanDerWaalsContact O-N 3.14Å
422	K	76.2	Confident	74	Confident	98 Å²	98	51 Å²	51	43%	0.426	26%	0.264	S	S	.	.	H	α-helix	trans	-62.5	-33.2	174.1	-78	174.8	165.5	175.4	0	113.6	F399 E400 E418 A419 G424	F399-K422 VanDerWaalsContact CD1-O 3.3Å; F399-K422 WeakPolarHBondContact CD1-O 3.44Å; F399-K422 WeakPolarHBondContact CE1-O 3.21Å; E400-K422 WeakPolarHBondContact O-CD 3.41Å; E400-K422 PolarHBondContact O-NZ 3.44Å; E418-K422 PolarHBondContact O-N 3.49Å; E418-K422 VanDerWaalsContact OE1-CE 3.24Å; E418-K422 WeakPolarHBondContact OE1-CE 3.29Å; E418-K422 IonicContact OE1-NZ 2.71Å; E418-K422 PolarHBondContact OE1-NZ 3.08Å; A419-K422 PolarHBondContact O-N 3.36Å; K422-G424 VanDerWaalsContact C-N 3.28Å
423	L	75.9	Confident	72.5	Confident	4 Å²	4	48.9 Å²	48.9	2%	0.021	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-9	176.8	-70.7	160.1	0	0	0	113.3	L332 H394 F399 L415 A419 L420 M421 L425	L332-L423 HydrophobicContact CD2-CD1 3.84Å; H394-L423 HydrophobicContact CB-CD2 4.29Å; F399-L423 HydrophobicContact CB-CD2 4.05Å; F399-L423 HydrophobicContact CD1-CD2 4.02Å; F399-L423 HydrophobicContact CD2-CD2 3.34Å; F399-L423 HydrophobicContact CE1-CD2 4.27Å; F399-L423 HydrophobicContact CE2-CD2 3.63Å; F399-L423 HydrophobicContact CG-CD2 3.54Å; F399-L423 HydrophobicContact CG-CG 4.41Å; F399-L423 HydrophobicContact CZ-CD2 4.09Å; L415-L423 HydrophobicContact CD1-CD1 4.1Å; A419-L423 WeakPolarHBondContact O-CB 3.14Å; A419-L423 VanDerWaalsContact O-CD1 3.3Å; A419-L423 WeakPolarHBondContact O-CD1 3.46Å; A419-L423 WeakPolarHBondContact O-CG 3.25Å; A419-L423 PolarHBondContact O-N 2.84Å; L420-L423 PolarHBondContact O-N 3.35Å; M421-L423 VanDerWaalsContact C-N 3.3Å; M421-L423 PolarHBondContact O-N 2.97Å; L423-L425 VanDerWaalsContact C-N 3.27Å; L423-L425 HydrophobicContact CB-CB 4.23Å; L423-L425 HydrophobicContact CB-CD1 3.62Å; L423-L425 HydrophobicContact CB-CG 3.65Å; L423-L425 HydrophobicContact CD1-CD1 4.03Å; L423-L425 HydrophobicContact CG-CD1 4.31Å; L423-L425 PolarHBondContact O-N 2.69Å
424	G	73.6	Confident	71.4	Confident	26 Å²	26	52.6 Å²	52.6	27%	0.268	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.3	23.9	-172.4	0	0	0	0	0	113.7	L420 M421 K422 K438 S439	L420-G424 PolarHBondContact O-N 2.95Å; L420-G424 VanDerWaalsContact O-N 3.17Å; M421-G424 PolarHBondContact O-N 2.79Å; M421-G424 VanDerWaalsContact O-N 3.14Å; K422-G424 VanDerWaalsContact C-N 3.28Å; G424-K438 WeakPolarHBondContact O-CA 3.49Å; G424-S439 PolarHBondContact O-N 3.48Å; G424-S439 VanDerWaalsContact O-N 3.11Å
425	L	74.4	Confident	70.5	Confident	14 Å²	14	56.3 Å²	56.3	7%	0.073	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	119.4	-168.9	-65.8	178.6	0	0	0	112.5	L332 L420 L423 I436 E437 K438	L332-L425 HydrophobicContact CD1-CD1 4.06Å; L332-L425 HydrophobicContact CD2-CD1 3.79Å; L420-L425 HydrophobicContact CD2-CB 4.24Å; L420-L425 PolarHBondContact O-N 3.27Å; L423-L425 VanDerWaalsContact C-N 3.27Å; L423-L425 HydrophobicContact CB-CB 4.23Å; L423-L425 HydrophobicContact CB-CD1 3.62Å; L423-L425 HydrophobicContact CB-CG 3.65Å; L423-L425 HydrophobicContact CD1-CD1 4.03Å; L423-L425 HydrophobicContact CG-CD1 4.31Å; L423-L425 PolarHBondContact O-N 2.69Å; L425-I436 HydrophobicContact CB-CG2 3.7Å; L425-I436 HydrophobicContact CD1-CG2 4.02Å; L425-I436 HydrophobicContact CD2-CG2 3.97Å; L425-I436 HydrophobicContact CG-CG2 4.08Å; L425-E437 CarbonylContact C-O 3.53Å; L425-E437 WeakPolarHBondContact CA-O 3.5Å; L425-K438 HydrophobicContact CD2-CG 3.82Å
426	T	68.1	Low	69.4	Low	67 Å²	67	58.4 Å²	58.4	41%	0.411	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	124.9	173.5	-55.3	0	0	0	0	109.7	I436 E437	T426-I436 WeakPolarHBondContact O-CA 3.46Å; T426-E437 PolarHBondContact N-O 2.99Å; T426-E437 PolarHBondContact O-N 3.06Å
427	M	72.7	Confident	68.5	Low	26 Å²	26	61 Å²	61	13%	0.128	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	114.7	176.9	-161.3	175	86.9	0	0	110.9	P330 I345 T347 F429 W434 H435 I436	P330-M427 HydrophobicContact CB-CE 4.09Å; P330-M427 HydrophobicContact CB-SD 3.54Å; P330-M427 VanDerWaalsContact CB-SD 3.54Å; P330-M427 HydrophobicContact CG-CE 3.77Å; P330-M427 HydrophobicContact CG-SD 3.92Å; I345-M427 HydrophobicContact CD1-SD 4.47Å; I345-M427 HydrophobicContact CG2-SD 3.98Å; T347-M427 HydrophobicContact CG2-CE 3.56Å; T347-M427 HydrophobicContact CG2-SD 4.45Å; M427-F429 HydrophobicContact CE-CE1 3.79Å; M427-F429 HydrophobicContact CE-CE2 3.77Å; M427-F429 HydrophobicContact CE-CZ 3.23Å; M427-W434 HydrophobicContact CG-CB 4.47Å; M427-H435 CarbonylContact C-O 3.54Å; M427-H435 WeakPolarHBondContact CA-O 3.28Å; M427-I436 HydrophobicContact CG-CG1 4.23Å
428	R	64.6	Low	67.9	Low	136 Å²	136	64 Å²	64	51%	0.513	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	137.4	176.6	-72.9	-155.2	-168.6	123.4	4.2	111.6	W434 H435 E437	R428-W434 CarbonylContact O-C 3.54Å; R428-W434 WeakPolarHBondContact O-CA 3.32Å; R428-H435 WeakPolarHBondContact CB-NE2 3.26Å; R428-H435 PolarHBondContact N-O 2.9Å; R428-H435 PolarHBondContact O-N 3.4Å; R428-H435 PolarHBondContact O-ND1 3.37Å; R428-E437 WeakPolarHBondContact CD-OE1 3.49Å; R428-E437 VanDerWaalsContact CG-OE1 3.25Å; R428-E437 WeakPolarHBondContact CG-OE1 3.43Å; R428-E437 IonicContact CZ-OE1 3.01Å; R428-E437 IonicContact CZ-OE2 2.72Å; R428-E437 IonicContact NE-OE1 3.38Å; R428-E437 PolarHBondContact NE-OE1 3.37Å; R428-E437 IonicContact NE-OE2 2.73Å; R428-E437 IonicContact NH1-OE1 3.75Å; R428-E437 PolarHBondContact NH1-OE1 3.37Å; R428-E437 IonicContact NH1-OE2 3.69Å; R428-E437 PolarHBondContact NH1-OE2 2.9Å; R428-E437 IonicContact NH2-OE2 2.81Å; R428-E437 PolarHBondContact NH2-OE2 2.94Å
429	F	59	Low	66.3	Low	146 Å²	146	65.4 Å²	65.4	64%	0.64	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.7	139.5	174.6	-65.7	-89.3	0	0	0	110.5	M427	M427-F429 HydrophobicContact CE-CE1 3.79Å; M427-F429 HydrophobicContact CE-CE2 3.77Å; M427-F429 HydrophobicContact CE-CZ 3.23Å
430	S	53.4	Low	64.3	Low	46 Å²	46	70.2 Å²	70.2	32%	0.322	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	165.4	176.5	74.1	0	0	0	0	110.6	L432 G433	S430-L432 PolarHBondContact O-N 3.13Å; S430-L432 VanDerWaalsContact O-N 3.08Å; S430-L432 PolarHBondContact OG-N 2.98Å; S430-G433 PolarHBondContact N-O 3.27Å; S430-G433 PolarHBondContact O-N 3.35Å; S430-G433 PolarHBondContact OG-N 2.8Å; S430-G433 PolarHBondContact OG-O 2.83Å
431	P	42.8	Very low	62	Low	97 Å²	97	77.6 Å²	77.6	63%	0.63	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-16.1	171.1	-24	35.1	0	0	0	114.4	G703	P431-G703 WeakPolarHBondContact O-CA 3.48Å
432	L	45.7	Very low	59.7	Low	137 Å²	137	78.1 Å²	78.1	72%	0.717	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-9.1	178.2	-60.9	175.4	0	0	0	113.3	S430	S430-L432 PolarHBondContact O-N 3.13Å; S430-L432 VanDerWaalsContact O-N 3.08Å; S430-L432 PolarHBondContact OG-N 2.98Å
433	G	55.1	Low	57.4	Low	34 Å²	34	83.6 Å²	83.6	35%	0.351	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	130	-165.7	-174.5	0	0	0	0	0	113.1	S430	S430-G433 PolarHBondContact N-O 3.27Å; S430-G433 PolarHBondContact O-N 3.35Å; S430-G433 PolarHBondContact OG-N 2.8Å; S430-G433 PolarHBondContact OG-O 2.83Å
434	W	68.2	Low	55.1	Low	78 Å²	78	87.1 Å²	87.1	30%	0.295	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	149.3	176.3	52.3	-88.6	0	0	0	110.5	V329 P330 T331 M427 R428 I436	V329-W434 WeakPolarHBondContact O-CZ2 3.19Å; P330-W434 VanDerWaalsContact CA-CE2 3.48Å; P330-W434 HydrophobicContact CB-CD2 3.89Å; P330-W434 HydrophobicContact CB-CE3 4.14Å; P330-W434 HydrophobicContact CB-CG 4.16Å; P330-W434 HydrophobicContact CG-CD2 4.2Å; P330-W434 HydrophobicContact CG-CG 3.95Å; T331-W434 VanDerWaalsContact N-CH2 3.32Å; T331-W434 WeakPolarHBondContact O-CH2 3.24Å; M427-W434 HydrophobicContact CG-CB 4.47Å; R428-W434 CarbonylContact O-C 3.54Å; R428-W434 WeakPolarHBondContact O-CA 3.32Å; W434-I436 HydrophobicContact CE3-CD1 4.18Å; W434-I436 HydrophobicContact CE3-CG1 4.01Å; W434-I436 HydrophobicContact CZ3-CD1 3.76Å; W434-I436 HydrophobicContact CZ3-CG1 4.04Å
435	H	69.3	Low	53	Low	78 Å²	78	91.8 Å²	91.8	36%	0.361	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	158.8	168	47.8	-70.5	0	0	0	109.6	M427 R428 E437	M427-H435 CarbonylContact C-O 3.54Å; M427-H435 WeakPolarHBondContact CA-O 3.28Å; R428-H435 WeakPolarHBondContact CB-NE2 3.26Å; R428-H435 PolarHBondContact N-O 2.9Å; R428-H435 PolarHBondContact O-N 3.4Å; R428-H435 PolarHBondContact O-ND1 3.37Å; H435-E437 IonicContact CD2-OE1 3.64Å; H435-E437 PolarHBondContact CD2-OE1 2.63Å; H435-E437 IonicContact NE2-OE1 3.17Å; H435-E437 PolarHBondContact NE2-OE1 2.87Å
436	I	68	Low	50.8	Low	45 Å²	45	95.5 Å²	95.5	23%	0.231	55%	0.551	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-125	124.5	-175.3	-48.4	171	0	0	0	107.8	L332 I345 L425 T426 M427 W434	L332-I436 HydrophobicContact CD1-CD1 3.9Å; I345-I436 HydrophobicContact CD1-CD1 3.41Å; I345-I436 VanDerWaalsContact CD1-CD1 3.41Å; I345-I436 HydrophobicContact CD1-CG1 4.36Å; L425-I436 HydrophobicContact CB-CG2 3.7Å; L425-I436 HydrophobicContact CD1-CG2 4.02Å; L425-I436 HydrophobicContact CD2-CG2 3.97Å; L425-I436 HydrophobicContact CG-CG2 4.08Å; T426-I436 WeakPolarHBondContact O-CA 3.46Å; M427-I436 HydrophobicContact CG-CG1 4.23Å; W434-I436 HydrophobicContact CE3-CD1 4.18Å; W434-I436 HydrophobicContact CE3-CG1 4.01Å; W434-I436 HydrophobicContact CZ3-CD1 3.76Å; W434-I436 HydrophobicContact CZ3-CG1 4.04Å
437	E	67.3	Low	49	Very low	53 Å²	53	98.2 Å²	98.2	25%	0.248	57%	0.569	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.3	142.7	-174.2	-63.8	171.6	-124.9	0	0	110.1	L425 T426 R428 H435	L425-E437 CarbonylContact C-O 3.53Å; L425-E437 WeakPolarHBondContact CA-O 3.5Å; T426-E437 PolarHBondContact N-O 2.99Å; T426-E437 PolarHBondContact O-N 3.06Å; R428-E437 WeakPolarHBondContact CD-OE1 3.49Å; R428-E437 VanDerWaalsContact CG-OE1 3.25Å; R428-E437 WeakPolarHBondContact CG-OE1 3.43Å; R428-E437 IonicContact CZ-OE1 3.01Å; R428-E437 IonicContact CZ-OE2 2.72Å; R428-E437 IonicContact NE-OE1 3.38Å; R428-E437 PolarHBondContact NE-OE1 3.37Å; R428-E437 IonicContact NE-OE2 2.73Å; R428-E437 IonicContact NH1-OE1 3.75Å; R428-E437 PolarHBondContact NH1-OE1 3.37Å; R428-E437 IonicContact NH1-OE2 3.69Å; R428-E437 PolarHBondContact NH1-OE2 2.9Å; R428-E437 IonicContact NH2-OE2 2.81Å; R428-E437 PolarHBondContact NH2-OE2 2.94Å; H435-E437 IonicContact CD2-OE1 3.64Å; H435-E437 PolarHBondContact CD2-OE1 2.63Å; H435-E437 IonicContact NE2-OE1 3.17Å; H435-E437 PolarHBondContact NE2-OE1 2.87Å
438	K	67.4	Low	46.8	Very low	94 Å²	94	99.8 Å²	99.8	41%	0.409	59%	0.592	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-74.1	134.9	161.9	-87.2	176	170.3	161.7	0	109.1	G424 L425 S440	G424-K438 WeakPolarHBondContact O-CA 3.49Å; L425-K438 HydrophobicContact CD2-CG 3.82Å; K438-S440 PolarHBondContact O-N 3.44Å
439	S	49.1	Very low	45.1	Very low	81 Å²	81	100.9 Å²	100.9	57%	0.566	61%	0.609	S	S	*	*			trans	-69.3	100.5	172.9	53.3	0	0	0	0	110.2	G424	G424-S439 PolarHBondContact O-N 3.48Å; G424-S439 VanDerWaalsContact O-N 3.11Å
440	S	42.6	Very low	43.6	Very low	101 Å²	101	100.8 Å²	100.8	71%	0.706	62%	0.615	S	S	*	*			trans	-92	119.3	-179.6	57.8	0	0	0	0	112.3	K438 S442	K438-S440 PolarHBondContact O-N 3.44Å; S440-S442 PolarHBondContact O-N 3.07Å
441	D	31.2	Very low	42.4	Very low	168 Å²	168	107.7 Å²	107.7	90%	0.898	64%	0.639	S	S	*	*			trans	-65.1	115.4	171.5	-66.2	-67	0	0	0	111.8
442	S	29.4	Very low	41.7	Very low	111 Å²	111	111.8 Å²	111.8	78%	0.776	65%	0.65	S	S	*	*			trans	-164.2	145.5	158	42.9	0	0	0	0	111.9	S440	S440-S442 PolarHBondContact O-N 3.07Å
443	K	28.2	Very low	40.8	Very low	213 Å²	213	112.8 Å²	112.8	93%	0.926	66%	0.655	S	S	*	*			trans	-95.9	135	175.2	-64.9	175.2	-179.6	175.8	0	109.6
444	G	27.3	Very low	39.5	Very low	79 Å²	79	119.3 Å²	119.3	81%	0.814	68%	0.68	S	S	*	*			trans	81	90.8	155.1	0	0	0	0	0	117.4
445	S	28.6	Very low	37.6	Very low	123 Å²	123	120.2 Å²	120.2	86%	0.86	70%	0.698	S	S	*	*			trans	-165.1	155	145.1	38.8	0	0	0	0	109.4
446	A	28	Very low	35.7	Very low	92 Å²	92	119.6 Å²	119.6	76%	0.76	71%	0.714	S	S	*	*			trans	-86.6	133.4	-179.7	0	0	0	0	0	110.6	G448	A446-G448 VanDerWaalsContact C-N 3.31Å; A446-G448 PolarHBondContact O-N 3.11Å
447	P	31.8	Very low	33.9	Very low	124 Å²	124	122.6 Å²	122.6	81%	0.805	73%	0.734	S	S	*	*			trans	-80.5	75.8	-177	33	-35.7	0	0	0	111.9
448	G	26.6	Very low	32.1	Very low	59 Å²	59	126.6 Å²	126.6	61%	0.608	76%	0.757	S	S	*	*			trans	-93.5	135.5	155.3	0	0	0	0	0	110.2	A446 N450	A446-G448 VanDerWaalsContact C-N 3.31Å; A446-G448 PolarHBondContact O-N 3.11Å; G448-N450 PolarHBondContact O-N 3.07Å
449	D	28.2	Very low	30.1	Very low	160 Å²	160	130.2 Å²	130.2	86%	0.856	78%	0.775	S	S	*	*	S	Bend	trans	28.5	75.3	157.4	-56.1	-26	0	0	0	118.6
450	N	27.2	Very low	29.1	Very low	144 Å²	144	131 Å²	131	77%	0.77	79%	0.786	S	S	*	*			trans	-172.1	99.8	147.6	-101.7	-44.6	0	0	0	112.9	G448	G448-N450 PolarHBondContact O-N 3.07Å
451	F	29.2	Very low	28.5	Very low	191 Å²	191	132.2 Å²	132.2	84%	0.838	79%	0.792	S	S	*	*			trans	-143.5	108.6	164.7	-77.4	-73.2	0	0	0	111.4
452	Q	26.8	Very low	28.6	Very low	182 Å²	182	129.9 Å²	129.9	85%	0.85	79%	0.786	S	S	*	*			trans	-75.9	145.2	172.4	-68	177.4	-18.9	0	0	110.8	I454	Q452-I454 PolarHBondContact O-N 3.29Å
453	L	27.3	Very low	28.7	Very low	159 Å²	159	130.8 Å²	130.8	83%	0.832	79%	0.793	S	S	*	*			trans	-71.5	112.9	173.7	-96.4	72.7	0	0	0	110.6	S455	L453-S455 VanDerWaalsContact C-N 3.28Å; L453-S455 PolarHBondContact O-N 3.16Å
454	I	28.2	Very low	28.8	Very low	171 Å²	171	124.3 Å²	124.3	88%	0.877	79%	0.786	S	S	*	*			trans	-78	83.1	162.9	-56.1	179.6	0	0	0	108.3	Q452	Q452-I454 PolarHBondContact O-N 3.29Å
455	S	28.5	Very low	29	Very low	96 Å²	96	129.8 Å²	129.8	67%	0.671	79%	0.791	S	S	*	*			trans	-94.9	114.9	166.1	56.7	0	0	0	0	109.9	L453 T457	L453-S455 VanDerWaalsContact C-N 3.28Å; L453-S455 PolarHBondContact O-N 3.16Å; S455-T457 PolarHBondContact O-N 2.91Å
456	G	29.3	Very low	28.8	Very low	66 Å²	66	129.7 Å²	129.7	68%	0.68	79%	0.789	S	S	*	*			trans	-66.8	97.1	170.7	0	0	0	0	0	111.5
457	T	30.2	Very low	29.1	Very low	107 Å²	107	130.2 Å²	130.2	66%	0.656	78%	0.784	S	S	*	*			trans	43.6	132.1	131.6	55.2	0	0	0	0	118.3	S455	S455-T457 PolarHBondContact O-N 2.91Å
458	D	28.4	Very low	29.1	Very low	137 Å²	137	130.5 Å²	130.5	73%	0.733	78%	0.779	S	S	*	*	S	Bend	cis	-101.9	141.6	44.9	-81.1	-73.1	0	0	0	119.6
459	Q	26.6	Very low	29.2	Very low	170 Å²	170	135.4 Å²	135.4	79%	0.794	79%	0.79	S	S	*	*			trans	55.6	107	140.2	-61.8	173.9	46.2	0	0	122.1
460	A	26.8	Very low	29.3	Very low	97 Å²	97	131.5 Å²	131.5	80%	0.802	79%	0.788	S	S	*	*			trans	-156.4	137.8	140.1	0	0	0	0	0	110.4
461	P	31.5	Very low	29.6	Very low	128 Å²	128	132.5 Å²	132.5	83%	0.831	79%	0.793	S	S	*	*			trans	-86.1	161.2	176.1	34	-34.3	0	0	0	113.5
462	P	32.9	Very low	29.7	Very low	118 Å²	118	131.6 Å²	131.6	77%	0.766	79%	0.793	S	S	*	*			trans	-108.1	164.2	-167	40.8	-35.7	0	0	0	115.7
463	S	31.5	Very low	30.1	Very low	131 Å²	131	128.4 Å²	128.4	92%	0.916	79%	0.789	S	S	*	*			trans	156.1	165.5	142.4	50.4	0	0	0	0	111.9
464	G	30.1	Very low	30.4	Very low	76 Å²	76	124.2 Å²	124.2	78%	0.784	78%	0.784	S	S	*	*			trans	121.9	97.8	169	0	0	0	0	0	114.5
465	E	30.1	Very low	30.4	Very low	195 Å²	195	125.1 Å²	125.1	91%	0.911	78%	0.781	S	S	*	*			trans	-85.6	169.3	-170.1	-68.2	153.5	129.8	0	0	115.1
466	C	25.4	Very low	30.4	Very low	121 Å²	121	127.7 Å²	127.7	82%	0.818	79%	0.787	S	S	*	*			trans	-78.1	-175.8	164.1	-120.5	0	0	0	0	109.9
467	P	34.1	Very low	30.4	Very low	103 Å²	103	130.6 Å²	130.6	67%	0.669	79%	0.791	S	S	*	*			cis	-152.8	-174.3	33.1	44.9	-22.3	0	0	0	119.2
468	D	31.5	Very low	30.4	Very low	129 Å²	129	130.2 Å²	130.2	69%	0.69	80%	0.799	S	S	*	*			trans	78.6	120.5	137.2	-75	-6	0	0	0	126.7
469	L	29.7	Very low	30.4	Very low	163 Å²	163	127.5 Å²	127.5	85%	0.853	80%	0.803	S	S	*	*				67.7	139	125.6	-59	169.6	0	0	0	122
470	G	29.8	Very low	30.6	Very low	78 Å²	78	123.2 Å²	123.2	80%	0.804	81%	0.805	S	S	*	*			trans	163.7	74	172.7	0	0	0	0	0	116.9
471	D	34.2	Very low	30.8	Very low	165 Å²	165	122.7 Å²	122.7	88%	0.882	80%	0.801	S	S	*	*			trans	7	121.5	165.2	-65.8	-43.1	0	0	0	124.7
472	M	29.9	Very low	30.9	Very low	171 Å²	171	123.9 Å²	123.9	84%	0.842	80%	0.8	S	S	*	*				-23.2	178.1	128.1	-77.3	-89.8	-84.8	0	0	118.9
473	P	36.6	Very low	30.9	Very low	116 Å²	116	124.2 Å²	124.2	75%	0.753	80%	0.795	S	S	*	*			cis	-139.7	174.4	-21.6	33.3	-13.7	0	0	0	116.6
474	G	32	Very low	30.9	Very low	71 Å²	71	125.8 Å²	125.8	73%	0.732	79%	0.785	S	S	*	*			trans	132.4	163.6	146	0	0	0	0	0	116.4
475	K	30.1	Very low	30.8	Very low	189 Å²	189	128.1 Å²	128.1	82%	0.822	78%	0.784	S	S	*	*			cis	-173.5	145.2	-18.9	-139.2	-174.9	-177.8	176.1	0	108
476	L	28.4	Very low	30.7	Very low	151 Å²	151	126.3 Å²	126.3	79%	0.791	78%	0.78	S	S	*	*			trans	66.3	162.8	162	-58.8	166.5	0	0	0	118.2
477	V	29	Very low	31	Very low	126 Å²	126	126 Å²	126	76%	0.764	77%	0.774	S	S	*	*			cis	-162.4	147.7	-48.7	102.2	0	0	0	0	111.2
478	A	29.9	Very low	30.5	Very low	99 Å²	99	130.6 Å²	130.6	82%	0.818	78%	0.784	S	S	*	*			trans	51.7	145.3	158	0	0	0	0	0	123.6
479	G	28.4	Very low	30.5	Very low	80 Å²	80	133 Å²	133	83%	0.825	79%	0.791	S	S	*	*				137.8	72	121.6	0	0	0	0	0	121.7
480	G	30.1	Very low	30.4	Very low	80 Å²	80	133 Å²	133	83%	0.825	79%	0.792	S	S	*	*			trans	68.6	179.2	158	0	0	0	0	0	117.3
481	A	31.6	Very low	30.4	Very low	87 Å²	87	137.7 Å²	137.7	72%	0.719	80%	0.795	S	S	*	*			cis	-158.4	158.8	-21	0	0	0	0	0	110.3
482	D	32.9	Very low	30.2	Very low	152 Å²	152	135.1 Å²	135.1	81%	0.813	79%	0.787	S	S	*	*			trans	57.1	124.3	155.4	-54.8	-22.1	0	0	0	123.3
483	D	33.3	Very low	30.1	Very low	125 Å²	125	135.5 Å²	135.5	67%	0.668	79%	0.787	S	S	*	*				99	137.9	125.1	-108.6	-24.2	0	0	0	125.3
484	K	32.3	Very low	29.7	Very low	164 Å²	164	137.2 Å²	137.2	71%	0.713	79%	0.79	S	S	*	*			trans	72	94.2	147.7	-74.2	148.3	-169.2	150.8	0	123.3
485	V	28.3	Very low	29.7	Very low	125 Å²	125	138.7 Å²	138.7	76%	0.758	80%	0.795	S	S	*	*				32.9	150.1	112.3	-163.4	0	0	0	0	120.4
486	L	28.2	Very low	29.7	Very low	157 Å²	157	138.7 Å²	138.7	82%	0.822	80%	0.797	S	S	*	*			trans	94	146	170.8	-51.6	174.7	0	0	0	113.8
487	V	29.8	Very low	29.7	Very low	114 Å²	114	139.9 Å²	139.9	69%	0.691	80%	0.804	S	S	*	*			cis	-150.2	176.2	-4.2	99.8	0	0	0	0	111.3	E489	V487-E489 HydrophobicContact CG1-CG 3.92Å
488	K	25.4	Very low	29.7	Very low	201 Å²	201	137 Å²	137	87%	0.874	80%	0.8	S	S	*	*			trans	-97	135.2	164.9	-78.2	-178.6	166.8	-165.6	0	110.6
489	E	31	Very low	29.5	Very low	179 Å²	179	137.9 Å²	137.9	84%	0.836	81%	0.806	S	S	*	*			trans	-138.4	159	160.2	-67.2	-165.9	142.4	0	0	111.8	V487	V487-E489 HydrophobicContact CG1-CG 3.92Å
490	D	28	Very low	29.3	Very low	164 Å²	164	137.4 Å²	137.4	88%	0.877	80%	0.802	S	S	*	*			trans	-100.7	159.7	-173.5	-59.6	-73.7	0	0	0	112.2
491	M	28.4	Very low	29.2	Very low	176 Å²	176	141.7 Å²	141.7	87%	0.867	81%	0.805	S	S	*	*			trans	-146.5	154.3	167.2	-94.9	-70.5	-80.1	0	0	108.7
492	P	30.9	Very low	29	Very low	110 Å²	110	145.6 Å²	145.6	71%	0.714	81%	0.808	S	S	*	*				-109.9	-175.1	-120.8	0.9	22.4	0	0	0	115.4
493	Q	28.2	Very low	28.8	Very low	180 Å²	180	149.8 Å²	149.8	84%	0.841	81%	0.813	S	S	*	*			trans	-79.4	-179.9	171.3	-64.5	179	-47.7	0	0	112
494	D	28.6	Very low	28.7	Very low	152 Å²	152	149 Å²	149	81%	0.813	81%	0.812	S	S	*	*			trans	74.6	80.1	169.1	-56.5	-15.9	0	0	0	118.5
495	A	30.9	Very low	28.8	Very low	101 Å²	101	146.9 Å²	146.9	84%	0.835	81%	0.807	S	S	*	*			trans	-144.7	93.7	152.3	0	0	0	0	0	110.7	L497	A495-L497 PolarHBondContact O-N 2.66Å
496	H	29.2	Very low	29.6	Very low	190 Å²	190	141.5 Å²	141.5	88%	0.88	78%	0.777	S	S	*	*			trans	-73.9	112.9	172.9	-82.9	-77.5	0	0	0	110.9
497	L	29.8	Very low	30.6	Very low	176 Å²	176	135.7 Å²	135.7	92%	0.921	75%	0.75	S	S	*	*			trans	-146.1	152.9	164.4	-108.2	161.2	0	0	0	111.1	A495	A495-L497 PolarHBondContact O-N 2.66Å
498	G	27.5	Very low	31.9	Very low	66 Å²	66	130.9 Å²	130.9	68%	0.68	72%	0.72	S	S	*	*			trans	-68.8	169.6	-158.2	0	0	0	0	0	117.1	G500	G498-G500 PolarHBondContact O-N 2.68Å
499	A	25.8	Very low	33.4	Very low	116 Å²	116	125.8 Å²	125.8	96%	0.959	72%	0.716	S	S	*	*	S	Bend	trans	-56.1	126.9	-178.1	0	0	0	0	0	113
500	G	26.2	Very low	35.2	Very low	71 Å²	71	121 Å²	121	73%	0.732	69%	0.693	S	S	*	*			trans	-179.2	-39.3	175.4	0	0	0	0	0	114.8	G498 Q502	G498-G500 PolarHBondContact O-N 2.68Å; G500-Q502 PolarHBondContact O-N 2.98Å
501	L	27.8	Very low	37.7	Very low	170 Å²	170	113.8 Å²	113.8	89%	0.89	66%	0.655	S	S	*	*			trans	-91.5	100.1	-176.1	-82.5	78.8	0	0	0	113
502	Q	27	Very low	40.3	Very low	168 Å²	168	108.3 Å²	108.3	79%	0.785	63%	0.633	S	S	*	*			trans	-143.1	22.1	163.8	-126.2	176	17.5	0	0	113.8	G500	G500-Q502 PolarHBondContact O-N 2.98Å
503	R	27.9	Very low	43	Very low	241 Å²	241	104.4 Å²	104.4	91%	0.909	61%	0.605	S	S	*	*			trans	-126.6	36.3	-171.8	-73.4	-171.7	172.3	-178.3	-1.3	115.7
504	V	30.7	Very low	45.5	Very low	107 Å²	107	96.1 Å²	96.1	65%	0.648	57%	0.567	S	S	*	*			trans	-136.9	55.9	172.5	-159.9	0	0	0	0	112.3
505	I	35.6	Very low	48	Very low	121 Å²	121	98.4 Å²	98.4	62%	0.621	57%	0.57	S	S	*	*	S	Bend	trans	-115.2	71.3	178	-45.8	-177.6	0	0	0	110.4	R652	I505-R652 PolarHBondContact O-NH1 3.02Å; I505-R652 PolarHBondContact O-NH2 2.89Å
506	G	45.1	Very low	50.6	Low	12 Å²	12	99.7 Å²	99.7	12%	0.124	56%	0.562	C	S	.	*			trans	160.5	18.7	176.7	0	0	0	0	0	117.6	F536	G506-F536 WeakPolarHBondContact CA-O 3.48Å; G506-F536 CarbonylContact O-C 3.59Å
507	S	48	Very low	53.3	Low	35 Å²	35	91.6 Å²	91.6	25%	0.245	53%	0.525	C	S	.	.			trans	-72.1	146.5	-178.5	59.3	0	0	0	0	112.7	A509 Q510	S507-A509 PolarHBondContact O-N 3.17Å; S507-Q510 PolarHBondContact O-N 2.77Å; S507-Q510 VanDerWaalsContact O-N 3.11Å
508	P	57.4	Low	56	Low	12 Å²	12	85.9 Å²	85.9	8%	0.078	50%	0.5	C	S	.	.	G	3₁₀ helix	trans	-48	-29.4	172.5	-34.6	39.4	0	0	0	116.1	Q510 L511 V529 E533	P508-Q510 PolarHBondContact O-N 3.43Å; P508-L511 WeakPolarHBondContact O-CB 3.28Å; P508-L511 PolarHBondContact O-N 2.8Å; P508-V529 HydrophobicContact CB-CG1 3.77Å; P508-V529 HydrophobicContact CG-CG1 4.27Å; P508-E533 WeakPolarHBondContact CD-OE1 3.42Å; P508-E533 HydrophobicContact CG-CB 4.19Å; P508-E533 HydrophobicContact CG-CG 3.75Å
509	A	57.7	Low	58.6	Low	94 Å²	94	87.4 Å²	87.4	78%	0.777	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-61.3	-13	179.1	0	0	0	0	0	114.9	S507	S507-A509 PolarHBondContact O-N 3.17Å
510	Q	69.4	Low	61.6	Low	78 Å²	78	86 Å²	86	36%	0.364	48%	0.483	S	S	.	.	G	3₁₀ helix	trans	-90.1	2.8	178.8	-67	-177.6	-11.5	0	0	114.1	S507 P508 P746 T747	S507-Q510 PolarHBondContact O-N 2.77Å; S507-Q510 VanDerWaalsContact O-N 3.11Å; P508-Q510 PolarHBondContact O-N 3.43Å; Q510-P746 HydrophobicContact CB-CB 4.14Å; Q510-P746 HydrophobicContact CB-CG 4.39Å; Q510-P746 CarbonylContact O-C 3.6Å; Q510-T747 HydrophobicContact CB-CG2 4.04Å
511	L	79.5	Confident	64.7	Low	13 Å²	13	84 Å²	84	7%	0.068	46%	0.455	C	S	.	.			trans	-79.6	138.4	-179.9	-81.3	157.4	0	0	0	113	P508 Y513 V529 F536 P746 C749 L751	P508-L511 WeakPolarHBondContact O-CB 3.28Å; P508-L511 PolarHBondContact O-N 2.8Å; L511-Y513 HydrophobicContact CB-CE2 3.77Å; L511-Y513 VanDerWaalsContact O-CD2 3.31Å; L511-Y513 WeakPolarHBondContact O-CD2 3.45Å; L511-Y513 WeakPolarHBondContact O-CE2 3.32Å; L511-V529 HydrophobicContact CD1-CB 4.29Å; L511-V529 HydrophobicContact CD1-CG1 3.34Å; L511-V529 HydrophobicContact CD1-CG2 3.92Å; L511-F536 HydrophobicContact CD1-CD1 4.16Å; L511-F536 HydrophobicContact CD1-CD2 4.45Å; L511-F536 HydrophobicContact CD1-CE1 3.91Å; L511-F536 HydrophobicContact CD1-CE2 4.22Å; L511-F536 HydrophobicContact CD1-CG 4.43Å; L511-F536 HydrophobicContact CD1-CZ 3.94Å; L511-F536 HydrophobicContact CD2-CD1 4.27Å; L511-F536 HydrophobicContact CD2-CE1 3.81Å; L511-F536 HydrophobicContact CD2-CZ 4.43Å; L511-F536 HydrophobicContact CG-CE1 4.35Å; L511-P746 HydrophobicContact CD2-CB 4.25Å; L511-P746 HydrophobicContact CG-CB 3.95Å; L511-C749 HydrophobicContact CD2-CB 3.39Å; L511-L751 HydrophobicContact CD1-CD1 4.38Å; L511-L751 HydrophobicContact CD2-CD1 4.2Å; L511-L751 HydrophobicContact CD2-CG 4.43Å
512	C	84.1	Confident	67.6	Low	61 Å²	61	82 Å²	82	41%	0.412	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	131.1	172.2	-64.1	0	0	0	0	110.6	C749 V750 L751	C512-C749 PolarHBondContact N-O 3.25Å; C512-V750 HydrophobicContact CB-CB 4.47Å; C512-V750 HydrophobicContact CB-CG1 4.47Å; C512-V750 HydrophobicContact CB-CG2 4.08Å; C512-V750 CarbonylContact O-C 3.58Å; C512-V750 WeakPolarHBondContact O-CA 3.17Å; C512-L751 PolarHBondContact O-N 2.96Å
513	Y	86.8	Confident	70.5	Confident	29 Å²	29	77.4 Å²	77.4	11%	0.114	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	149.8	175.4	-64.8	-92.6	0	0	0	109.9	L511 K515 R522 L525 L526 L751	L511-Y513 HydrophobicContact CB-CE2 3.77Å; L511-Y513 VanDerWaalsContact O-CD2 3.31Å; L511-Y513 WeakPolarHBondContact O-CD2 3.45Å; L511-Y513 WeakPolarHBondContact O-CE2 3.32Å; Y513-K515 PolarHBondContact O-N 3.43Å; Y513-R522 HydrophobicContact CD1-CG 4.38Å; Y513-R522 HydrophobicContact CG-CG 4.37Å; Y513-L525 HydrophobicContact CD1-CB 4.24Å; Y513-L525 HydrophobicContact CD1-CD1 4.39Å; Y513-L525 HydrophobicContact CE1-CB 3.91Å; Y513-L526 HydrophobicContact CE1-CD2 4.45Å; Y513-L526 HydrophobicContact CE1-CG 4.27Å; Y513-L526 HydrophobicContact CE2-CD2 4.04Å; Y513-L526 WeakPolarHBondContact OH-CD2 3.34Å; Y513-L751 CarbonylContact C-O 3.5Å; Y513-L751 WeakPolarHBondContact CA-O 3.31Å; Y513-L751 HydrophobicContact CD1-CB 4.21Å; Y513-L751 HydrophobicContact CE1-CB 4.37Å; Y513-L751 HydrophobicContact CE1-CD1 4.09Å
514	G	81.4	Confident	73.4	Confident	6 Å²	6	66 Å²	66	6%	0.062	37%	0.374	C	S	.	.			trans	-56.3	131.4	176.6	0	0	0	0	0	112.6	L516 L517 L751	G514-L516 PolarHBondContact O-N 3.1Å; G514-L517 PolarHBondContact O-N 3.49Å; G514-L751 PolarHBondContact N-O 2.72Å
515	K	81.3	Confident	76.3	Confident	200 Å²	200	60.9 Å²	60.9	87%	0.87	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-22.4	-176.8	-67.2	-179.4	-179.5	174.3	0	114.4	Y513	Y513-K515 PolarHBondContact O-N 3.43Å
516	L	84.4	Confident	78.9	Confident	128 Å²	128	57.6 Å²	57.6	67%	0.67	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.6	2.5	-173	-65.4	171.7	0	0	0	113.3	G514 H754	G514-L516 PolarHBondContact O-N 3.1Å; L516-H754 VanDerWaalsContact CB-CD2 3.46Å; L516-H754 WeakPolarHBondContact CB-CD2 3.39Å
517	L	85.4	Confident	81.1	Confident	20 Å²	20	63.8 Å²	63.8	11%	0.105	35%	0.346	C	S	.	.			trans	-64.5	135.3	171.1	-70	165.9	0	0	0	110.3	G514 E521 R522 L525 Y645 Y723 G752	G514-L517 PolarHBondContact O-N 3.49Å; L517-E521 HydrophobicContact CB-CB 4.38Å; L517-E521 HydrophobicContact CD2-CB 3.85Å; L517-R522 HydrophobicContact CB-CB 4.43Å; L517-L525 HydrophobicContact CD1-CD1 3.75Å; L517-L525 HydrophobicContact CD2-CD1 4.33Å; L517-Y645 HydrophobicContact CD2-CD1 4.49Å; L517-Y645 HydrophobicContact CD2-CE1 4.12Å; L517-Y723 HydrophobicContact CD2-CD2 4.35Å; L517-G752 WeakPolarHBondContact CD1-O 3.49Å; L517-G752 VanDerWaalsContact CD2-O 3.27Å; L517-G752 WeakPolarHBondContact CD2-O 3.46Å; L517-G752 WeakPolarHBondContact CG-O 3.31Å
518	S	86.3	Confident	83.1	Confident	56 Å²	56	62.6 Å²	62.6	39%	0.392	34%	0.337	S	S	.	.			trans	-65.4	160.4	165.5	68.7	0	0	0	0	111.2	S520 E521 R522	S518-S520 VanDerWaalsContact C-N 3.26Å; S518-S520 PolarHBondContact O-N 3.31Å; S518-E521 VanDerWaalsContact CB-OE2 3.26Å; S518-E521 WeakPolarHBondContact CB-OE2 3.44Å; S518-E521 PolarHBondContact N-OE2 3.12Å; S518-E521 PolarHBondContact O-N 3.2Å; S518-E521 VanDerWaalsContact O-N 3.15Å; S518-E521 VanDerWaalsContact OG-CD 3.3Å; S518-E521 VanDerWaalsContact OG-CG 3.26Å; S518-E521 WeakPolarHBondContact OG-CG 3.43Å; S518-E521 PolarHBondContact OG-N 2.83Å; S518-E521 PolarHBondContact OG-OE2 3.08Å; S518-R522 PolarHBondContact O-N 2.9Å
519	S	84.1	Confident	84.8	Confident	97 Å²	97	62 Å²	62	68%	0.678	33%	0.333	S	S	*	.	H	α-helix	trans	-55.7	-41.2	178.8	-48.2	0	0	0	0	112.3	E521 R522 D523	S519-E521 PolarHBondContact O-N 2.81Å; S519-R522 PolarHBondContact O-N 3.2Å; S519-D523 WeakPolarHBondContact O-CB 3.47Å; S519-D523 VanDerWaalsContact O-CG 3.23Å; S519-D523 PolarHBondContact O-N 3.24Å
520	S	88.7	Confident	86.3	Confident	86 Å²	86	61.9 Å²	61.9	60%	0.601	32%	0.32	S	S	*	.	H	α-helix	trans	-62.7	-41.5	178.5	-172.1	0	0	0	0	112.6	S518 G524	S518-S520 VanDerWaalsContact C-N 3.26Å; S518-S520 PolarHBondContact O-N 3.31Å; S520-G524 PolarHBondContact O-N 3.41Å
521	E	90.8	Very high	87.3	Confident	31 Å²	31	61.6 Å²	61.6	15%	0.145	33%	0.326	C	S	.	.	H	α-helix	trans	-70.1	-42.2	177.4	-65.6	167.6	117.3	0	0	111.1	L517 S518 S519 D523 G524 L525 Y645 Y723	L517-E521 HydrophobicContact CB-CB 4.38Å; L517-E521 HydrophobicContact CD2-CB 3.85Å; S518-E521 VanDerWaalsContact CB-OE2 3.26Å; S518-E521 WeakPolarHBondContact CB-OE2 3.44Å; S518-E521 PolarHBondContact N-OE2 3.12Å; S518-E521 PolarHBondContact O-N 3.2Å; S518-E521 VanDerWaalsContact O-N 3.15Å; S518-E521 VanDerWaalsContact OG-CD 3.3Å; S518-E521 VanDerWaalsContact OG-CG 3.26Å; S518-E521 WeakPolarHBondContact OG-CG 3.43Å; S518-E521 PolarHBondContact OG-N 2.83Å; S518-E521 PolarHBondContact OG-OE2 3.08Å; S519-E521 PolarHBondContact O-N 2.81Å; E521-D523 PolarHBondContact O-N 2.52Å; E521-G524 PolarHBondContact O-N 2.81Å; E521-L525 WeakPolarHBondContact O-CG 3.44Å; E521-L525 PolarHBondContact O-N 3.48Å; E521-Y645 PolarHBondContact OE1-OH 2.91Å; E521-Y723 HydrophobicContact CB-CD1 4.37Å; E521-Y723 HydrophobicContact CB-CD2 3.8Å; E521-Y723 HydrophobicContact CB-CE1 4.13Å; E521-Y723 HydrophobicContact CB-CE2 3.56Å; E521-Y723 HydrophobicContact CB-CG 4.21Å; E521-Y723 HydrophobicContact CG-CD1 3.71Å; E521-Y723 HydrophobicContact CG-CD2 3.79Å; E521-Y723 HydrophobicContact CG-CE1 3.85Å; E521-Y723 HydrophobicContact CG-CE2 3.96Å; E521-Y723 HydrophobicContact CG-CG 3.68Å; E521-Y723 PolarHBondContact O-OH 3.07Å; E521-Y723 WeakPolarHBondContact OE1-CB 3.1Å
522	R	88.5	Confident	87.9	Confident	126 Å²	126	62 Å²	62	48%	0.475	33%	0.327	S	S	.	.	H	α-helix	trans	-61	-44	174.9	-171.5	173.9	-178.8	166.1	-1.9	111.6	Y513 L517 S518 S519 L525 L526	Y513-R522 HydrophobicContact CD1-CG 4.38Å; Y513-R522 HydrophobicContact CG-CG 4.37Å; L517-R522 HydrophobicContact CB-CB 4.43Å; S518-R522 PolarHBondContact O-N 2.9Å; S519-R522 PolarHBondContact O-N 3.2Å; R522-L525 PolarHBondContact O-N 3.17Å; R522-L526 HydrophobicContact CG-CD1 4.16Å; R522-L526 WeakPolarHBondContact O-CG 3.31Å; R522-L526 PolarHBondContact O-N 3.41Å
523	D	87.9	Confident	88.1	Confident	72 Å²	72	64.2 Å²	64.2	39%	0.385	33%	0.331	S	S	.	.	H	α-helix	trans	-66.8	-36.2	175.1	-71	-12.4	0	0	0	112.2	S519 E521 L525 L526 R527	S519-D523 WeakPolarHBondContact O-CB 3.47Å; S519-D523 VanDerWaalsContact O-CG 3.23Å; S519-D523 PolarHBondContact O-N 3.24Å; E521-D523 PolarHBondContact O-N 2.52Å; D523-L525 VanDerWaalsContact C-N 3.29Å; D523-L525 PolarHBondContact O-N 3.09Å; D523-L526 PolarHBondContact O-N 2.8Å; D523-R527 WeakPolarHBondContact O-CB 3.46Å; D523-R527 WeakPolarHBondContact O-CG 3.46Å; D523-R527 PolarHBondContact O-N 3.37Å; D523-R527 PolarHBondContact O-NE 3.4Å
524	G	89.6	Confident	88.1	Confident	2 Å²	2	67 Å²	67	2%	0.021	35%	0.346	C	S	.	.	H	α-helix	trans	-65.1	-30.8	175.2	0	0	0	0	0	113.4	S520 E521 L528 Y723 R727	S520-G524 PolarHBondContact O-N 3.41Å; E521-G524 PolarHBondContact O-N 2.81Å; G524-L528 PolarHBondContact O-N 3.15Å; G524-Y723 WeakPolarHBondContact CA-OH 3.47Å; G524-R727 PolarHBondContact O-NE 3.19Å; G524-R727 VanDerWaalsContact O-NE 3.11Å
525	L	91.4	Very high	88.4	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-80.6	-39.3	170.3	-65.9	174.5	0	0	0	112.8	Y513 L517 E521 R522 D523 L528 V529 Y723 R727 L730 L751	Y513-L525 HydrophobicContact CD1-CB 4.24Å; Y513-L525 HydrophobicContact CD1-CD1 4.39Å; Y513-L525 HydrophobicContact CE1-CB 3.91Å; L517-L525 HydrophobicContact CD1-CD1 3.75Å; L517-L525 HydrophobicContact CD2-CD1 4.33Å; E521-L525 WeakPolarHBondContact O-CG 3.44Å; E521-L525 PolarHBondContact O-N 3.48Å; R522-L525 PolarHBondContact O-N 3.17Å; D523-L525 VanDerWaalsContact C-N 3.29Å; D523-L525 PolarHBondContact O-N 3.09Å; L525-L528 WeakPolarHBondContact O-CB 3.34Å; L525-L528 PolarHBondContact O-N 2.88Å; L525-L528 VanDerWaalsContact O-N 3.13Å; L525-V529 WeakPolarHBondContact O-CG2 3.46Å; L525-V529 PolarHBondContact O-N 3.02Å; L525-Y723 HydrophobicContact CD1-CE2 4.2Å; L525-Y723 HydrophobicContact CD2-CE2 4.17Å; L525-Y723 HydrophobicContact CG-CE2 3.9Å; L525-R727 HydrophobicContact CD2-CG 4.37Å; L525-L730 HydrophobicContact CD2-CD2 3.79Å; L525-L751 HydrophobicContact CD1-CB 4.49Å
526	L	89.6	Confident	88.7	Confident	52 Å²	52	57.2 Å²	57.2	27%	0.272	30%	0.301	S	S	.	.	H	α-helix	trans	-59.5	-46.4	174.3	-79.6	161.1	0	0	0	111.3	Y513 R522 D523 L528 V529 N530	Y513-L526 HydrophobicContact CE1-CD2 4.45Å; Y513-L526 HydrophobicContact CE1-CG 4.27Å; Y513-L526 HydrophobicContact CE2-CD2 4.04Å; Y513-L526 WeakPolarHBondContact OH-CD2 3.34Å; R522-L526 HydrophobicContact CG-CD1 4.16Å; R522-L526 WeakPolarHBondContact O-CG 3.31Å; R522-L526 PolarHBondContact O-N 3.41Å; D523-L526 PolarHBondContact O-N 2.8Å; L526-L528 VanDerWaalsContact C-N 3.27Å; L526-L528 PolarHBondContact O-N 3.19Å; L526-V529 PolarHBondContact O-N 3.1Å; L526-N530 VanDerWaalsContact O-CG 3.24Å; L526-N530 PolarHBondContact O-N 2.84Å; L526-N530 PolarHBondContact O-OD1 3.16Å
527	R	90	Very high	88.4	Confident	141 Å²	141	51.9 Å²	51.9	53%	0.532	28%	0.277	S	S	.	.	H	α-helix	trans	-57.9	-39.2	173	-74.4	-179.2	-73.5	-102.9	0.6	112.2	D523 S531	D523-R527 WeakPolarHBondContact O-CB 3.46Å; D523-R527 WeakPolarHBondContact O-CG 3.46Å; D523-R527 PolarHBondContact O-N 3.37Å; D523-R527 PolarHBondContact O-NE 3.4Å; R527-S531 PolarHBondContact O-N 3.19Å
528	L	91.9	Very high	87.7	Confident	11 Å²	11	55.5 Å²	55.5	6%	0.058	30%	0.301	C	S	.	.	H	α-helix	trans	-67.6	-47.2	176.3	174.3	58.4	0	0	0	111.8	G524 L525 L526 N530 S531 F532 R727 L730 K731 F734	G524-L528 PolarHBondContact O-N 3.15Å; L525-L528 WeakPolarHBondContact O-CB 3.34Å; L525-L528 PolarHBondContact O-N 2.88Å; L525-L528 VanDerWaalsContact O-N 3.13Å; L526-L528 VanDerWaalsContact C-N 3.27Å; L526-L528 PolarHBondContact O-N 3.19Å; L528-N530 VanDerWaalsContact C-N 3.34Å; L528-N530 PolarHBondContact O-N 3.35Å; L528-S531 PolarHBondContact O-N 3.03Å; L528-S531 PolarHBondContact O-OG 2.71Å; L528-F532 HydrophobicContact CD1-CD2 3.97Å; L528-F532 HydrophobicContact CD1-CE2 3.81Å; L528-F532 WeakPolarHBondContact O-CD2 3.38Å; L528-R727 HydrophobicContact CD2-CG 4.22Å; L528-R727 WeakPolarHBondContact CD2-O 3.44Å; L528-L730 HydrophobicContact CD2-CB 4.07Å; L528-L730 HydrophobicContact CD2-CD2 3.96Å; L528-L730 HydrophobicContact CD2-CG 4Å; L528-K731 HydrophobicContact CD1-CB 3.59Å; L528-K731 HydrophobicContact CD1-CD 4.14Å; L528-K731 HydrophobicContact CD1-CG 3.68Å; L528-K731 HydrophobicContact CD2-CB 4.08Å; L528-F734 HydrophobicContact CD1-CD2 4.4Å; L528-F734 HydrophobicContact CG-CD2 4.13Å; L528-F734 HydrophobicContact CG-CE2 4.24Å
529	V	91.3	Very high	86.9	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-58.5	-45.7	177.8	164.7	0	0	0	0	111.2	P508 L511 L525 L526 S531 F532 E533 F536 F734 L751	P508-V529 HydrophobicContact CB-CG1 3.77Å; P508-V529 HydrophobicContact CG-CG1 4.27Å; L511-V529 HydrophobicContact CD1-CB 4.29Å; L511-V529 HydrophobicContact CD1-CG1 3.34Å; L511-V529 HydrophobicContact CD1-CG2 3.92Å; L525-V529 WeakPolarHBondContact O-CG2 3.46Å; L525-V529 PolarHBondContact O-N 3.02Å; L526-V529 PolarHBondContact O-N 3.1Å; V529-S531 VanDerWaalsContact C-N 3.28Å; V529-S531 PolarHBondContact O-N 3.05Å; V529-F532 CarbonylContact O-C 3.55Å; V529-F532 WeakPolarHBondContact O-CA 3.4Å; V529-F532 PolarHBondContact O-N 2.86Å; V529-E533 PolarHBondContact O-N 2.77Å; V529-E533 VanDerWaalsContact O-N 3.11Å; V529-F536 HydrophobicContact CG1-CD2 4.36Å; V529-F536 HydrophobicContact CG1-CE2 3.95Å; V529-F734 HydrophobicContact CG2-CE2 4.1Å; V529-F734 HydrophobicContact CG2-CZ 4.48Å; V529-L751 HydrophobicContact CG2-CD1 3.45Å; V529-L751 VanDerWaalsContact CG2-CD1 3.45Å
530	N	89	Confident	86	Confident	91 Å²	91	52.3 Å²	52.3	49%	0.487	27%	0.274	S	S	.	.	H	α-helix	trans	-63.2	-34.8	179.7	-66.7	-2.9	0	0	0	111.8	L526 L528 F532 E533	L526-N530 VanDerWaalsContact O-CG 3.24Å; L526-N530 PolarHBondContact O-N 2.84Å; L526-N530 PolarHBondContact O-OD1 3.16Å; L528-N530 VanDerWaalsContact C-N 3.34Å; L528-N530 PolarHBondContact O-N 3.35Å; N530-F532 PolarHBondContact O-N 2.63Å; N530-F532 VanDerWaalsContact O-N 3.13Å; N530-E533 PolarHBondContact O-N 2.9Å
531	S	91.4	Very high	84.7	Confident	71 Å²	71	52.4 Å²	52.4	50%	0.497	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-3.1	172.7	68.4	0	0	0	0	114.9	R527 L528 V529	R527-S531 PolarHBondContact O-N 3.19Å; L528-S531 PolarHBondContact O-N 3.03Å; L528-S531 PolarHBondContact O-OG 2.71Å; V529-S531 VanDerWaalsContact C-N 3.28Å; V529-S531 PolarHBondContact O-N 3.05Å
532	F	91.8	Very high	83	Confident	23 Å²	23	53.9 Å²	53.9	10%	0.101	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-134.4	31	173.1	-67.2	-85.9	0	0	0	112.6	L528 V529 N530 H534 L535 K731 F734 R735	L528-F532 HydrophobicContact CD1-CD2 3.97Å; L528-F532 HydrophobicContact CD1-CE2 3.81Å; L528-F532 WeakPolarHBondContact O-CD2 3.38Å; V529-F532 CarbonylContact O-C 3.55Å; V529-F532 WeakPolarHBondContact O-CA 3.4Å; V529-F532 PolarHBondContact O-N 2.86Å; N530-F532 PolarHBondContact O-N 2.63Å; N530-F532 VanDerWaalsContact O-N 3.13Å; F532-H534 AromaticContact CD1-CE1 3.99Å; F532-H534 PolarHBondContact O-N 3.07Å; F532-H534 VanDerWaalsContact O-N 3.08Å; F532-L535 HydrophobicContact CB-CD1 3.81Å; F532-L535 HydrophobicContact CB-CG 4.14Å; F532-L535 HydrophobicContact CD1-CD1 4.32Å; F532-L535 HydrophobicContact CG-CD1 4.31Å; F532-L535 WeakPolarHBondContact O-CB 3.33Å; F532-L535 PolarHBondContact O-N 3.17Å; F532-K731 HydrophobicContact CE2-CG 4.15Å; F532-F734 HydrophobicContact CB-CB 4.46Å; F532-F734 HydrophobicContact CB-CD2 4.25Å; F532-F734 HydrophobicContact CD1-CB 4.09Å; F532-F734 HydrophobicContact CD2-CB 3.89Å; F532-F734 AromaticContact CD2-CD2 3.94Å; F532-F734 HydrophobicContact CD2-CD2 3.94Å; F532-F734 HydrophobicContact CD2-CG 4.43Å; F532-F734 HydrophobicContact CE1-CB 4.3Å; F532-F734 HydrophobicContact CE2-CB 4.11Å; F532-F734 HydrophobicContact CG-CB 3.89Å; F532-F734 HydrophobicContact CG-CD2 4.24Å; F532-F734 HydrophobicContact CG-CG 4.5Å; F532-F734 HydrophobicContact CZ-CB 4.3Å; F532-R735 HydrophobicContact CE1-CB 4.21Å; F532-R735 HydrophobicContact CZ-CB 4.15Å
533	E	88.1	Confident	81.7	Confident	106 Å²	106	53.8 Å²	53.8	50%	0.495	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-51.7	-37.1	-175.5	174.9	166.5	-149.7	0	0	113.2	P508 V529 N530 L535 F536	P508-E533 WeakPolarHBondContact CD-OE1 3.42Å; P508-E533 HydrophobicContact CG-CB 4.19Å; P508-E533 HydrophobicContact CG-CG 3.75Å; V529-E533 PolarHBondContact O-N 2.77Å; V529-E533 VanDerWaalsContact O-N 3.11Å; N530-E533 PolarHBondContact O-N 2.9Å; E533-L535 PolarHBondContact O-N 3.18Å; E533-L535 VanDerWaalsContact O-N 3.1Å; E533-F536 PolarHBondContact O-N 3.28Å
534	H	86.6	Confident	80.3	Confident	89 Å²	89	57.3 Å²	57.3	41%	0.412	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-60	-20.1	178	63.1	-74.4	0	0	0	114.5	F532 F536 S738 R743	F532-H534 AromaticContact CD1-CE1 3.99Å; F532-H534 PolarHBondContact O-N 3.07Å; F532-H534 VanDerWaalsContact O-N 3.08Å; H534-F536 VanDerWaalsContact C-N 3.27Å; H534-F536 PolarHBondContact O-N 3.34Å; H534-S738 PolarHBondContact NE2-OG 3.25Å; H534-R743 WeakPolarHBondContact O-CD 3.34Å; H534-R743 PolarHBondContact O-NE 2.95Å; H534-R743 VanDerWaalsContact O-NE 3.16Å
535	L	88.2	Confident	78.9	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-64	-32.7	170.9	-72.9	-178.9	0	0	0	112.3	F532 E533 F734 L737 R743 L744	F532-L535 HydrophobicContact CB-CD1 3.81Å; F532-L535 HydrophobicContact CB-CG 4.14Å; F532-L535 HydrophobicContact CD1-CD1 4.32Å; F532-L535 HydrophobicContact CG-CD1 4.31Å; F532-L535 WeakPolarHBondContact O-CB 3.33Å; F532-L535 PolarHBondContact O-N 3.17Å; E533-L535 PolarHBondContact O-N 3.18Å; E533-L535 VanDerWaalsContact O-N 3.1Å; L535-F734 HydrophobicContact CD1-CB 3.8Å; L535-F734 HydrophobicContact CD1-CD1 4.03Å; L535-F734 HydrophobicContact CD1-CG 3.89Å; L535-L737 HydrophobicContact CD2-CB 4.09Å; L535-R743 CarbonylContact O-C 3.53Å; L535-R743 VanDerWaalsContact O-CA 3.27Å; L535-R743 WeakPolarHBondContact O-CA 3.48Å; L535-R743 WeakPolarHBondContact O-CD 3.42Å; L535-L744 HydrophobicContact CD1-CD1 4.28Å; L535-L744 PolarHBondContact O-N 3.44Å
536	F	87.4	Confident	77.3	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-6.7	-174.4	-53.9	-78.7	0	0	0	112.7	G506 L511 V529 E533 H534 R652 F734 L744 P746	G506-F536 WeakPolarHBondContact CA-O 3.48Å; G506-F536 CarbonylContact O-C 3.59Å; L511-F536 HydrophobicContact CD1-CD1 4.16Å; L511-F536 HydrophobicContact CD1-CD2 4.45Å; L511-F536 HydrophobicContact CD1-CE1 3.91Å; L511-F536 HydrophobicContact CD1-CE2 4.22Å; L511-F536 HydrophobicContact CD1-CG 4.43Å; L511-F536 HydrophobicContact CD1-CZ 3.94Å; L511-F536 HydrophobicContact CD2-CD1 4.27Å; L511-F536 HydrophobicContact CD2-CE1 3.81Å; L511-F536 HydrophobicContact CD2-CZ 4.43Å; L511-F536 HydrophobicContact CG-CE1 4.35Å; V529-F536 HydrophobicContact CG1-CD2 4.36Å; V529-F536 HydrophobicContact CG1-CE2 3.95Å; E533-F536 PolarHBondContact O-N 3.28Å; H534-F536 VanDerWaalsContact C-N 3.27Å; H534-F536 PolarHBondContact O-N 3.34Å; F536-R652 PolarHBondContact O-NH1 3.44Å; F536-F734 HydrophobicContact CZ-CE1 4.35Å; F536-F734 HydrophobicContact CZ-CE2 4.35Å; F536-F734 AromaticContact CZ-CZ 3.92Å; F536-F734 HydrophobicContact CZ-CZ 3.92Å; F536-L744 HydrophobicContact CD1-CB 3.79Å; F536-L744 HydrophobicContact CE1-CB 3.68Å; F536-L744 HydrophobicContact CE1-CD1 3.69Å; F536-L744 HydrophobicContact CE1-CG 4.35Å; F536-L744 HydrophobicContact CZ-CD1 3.89Å; F536-P746 HydrophobicContact CB-CB 4.3Å; F536-P746 HydrophobicContact CB-CG 4.27Å; F536-P746 HydrophobicContact CD1-CB 3.98Å; F536-P746 HydrophobicContact CG-CB 4.46Å
537	G	77.5	Confident	76.3	Confident	15 Å²	15	58.8 Å²	58.8	16%	0.155	33%	0.331	C	S	.	.	S	Bend	trans	-66.5	180	172.6	0	0	0	0	0	114.6	R652	G537-R652 PolarHBondContact O-NH1 3.01Å
538	P	71.5	Confident	75	Confident	96 Å²	96	56.7 Å²	56.7	62%	0.623	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-66.3	165.7	175.9	29.7	-35.6	0	0	0	112.2	R743	P538-R743 WeakPolarHBondContact O-CD 3.49Å; P538-R743 PolarHBondContact O-NE 3.33Å
539	L	69.2	Low	74.2	Confident	48 Å²	48	58 Å²	58	25%	0.251	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-66.6	139.1	167.4	-66.7	170.3	0	0	0	109.3	V541 Q657 R743	L539-V541 PolarHBondContact O-N 2.87Å; L539-Q657 HydrophobicContact CD2-CG 3.73Å; L539-R743 HydrophobicContact CD2-CB 3.92Å; L539-R743 HydrophobicContact CD2-CG 3.76Å
540	P	66.1	Low	73.9	Confident	39 Å²	39	61.6 Å²	61.6	25%	0.253	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-68.1	116.2	175.5	27.6	-32.3	0	0	0	109.9	E543	P540-E543 HydrophobicContact CB-CB 4.22Å; P540-E543 HydrophobicContact CB-CG 4.1Å; P540-E543 WeakPolarHBondContact CB-OE2 3.46Å; P540-E543 HydrophobicContact CG-CB 4.41Å
541	V	60.9	Low	74.1	Confident	88 Å²	88	57.4 Å²	57.4	53%	0.533	33%	0.334	S	S	.	.	S	Bend	trans	-70.5	131.3	-176.9	175.5	0	0	0	0	110.2	L539 E543 R585	L539-V541 PolarHBondContact O-N 2.87Å; V541-E543 PolarHBondContact O-N 3.38Å; V541-E543 VanDerWaalsContact O-N 3.15Å; V541-R585 WeakPolarHBondContact CG1-O 3.5Å
542	G	55.8	Low	74.1	Confident	62 Å²	62	61.2 Å²	61.2	64%	0.639	34%	0.337	S	S	*	.	S	Bend	trans	77.9	-16.8	174.8	0	0	0	0	0	116.3
543	E	59.6	Low	74.3	Confident	123 Å²	123	60.2 Å²	60.2	58%	0.575	33%	0.333	S	S	*	.			trans	-68.3	141.2	176.9	-66.6	-168.2	153.3	0	0	112.2	P540 V541 R681	P540-E543 HydrophobicContact CB-CB 4.22Å; P540-E543 HydrophobicContact CB-CG 4.1Å; P540-E543 WeakPolarHBondContact CB-OE2 3.46Å; P540-E543 HydrophobicContact CG-CB 4.41Å; V541-E543 PolarHBondContact O-N 3.38Å; V541-E543 VanDerWaalsContact O-N 3.15Å; E543-R681 PolarHBondContact O-NH2 3.07Å
544	K	59.1	Low	74.5	Confident	147 Å²	147	58.3 Å²	58.3	64%	0.639	33%	0.331	S	S	*	.			trans	-75.5	127.1	164.2	-69.7	-167.8	176.9	-170.6	0	108.4	G546 E659	K544-G546 PolarHBondContact O-N 3.05Å; K544-E659 WeakPolarHBondContact CA-OE1 3.39Å
545	S	60.7	Low	74.7	Confident	23 Å²	23	54.8 Å²	54.8	16%	0.161	32%	0.316	C	S	.	.			trans	-60.5	-5.2	-166.8	-31.8	0	0	0	0	115.5	H547 Q657 E659 R681	S545-H547 PolarHBondContact O-CE1 2.79Å; S545-H547 VanDerWaalsContact O-CE1 3.31Å; S545-H547 PolarHBondContact O-N 3.13Å; S545-H547 PolarHBondContact O-ND1 2.93Å; S545-Q657 PolarHBondContact OG-O 3.41Å; S545-E659 WeakPolarHBondContact CB-OE1 3.45Å; S545-E659 PolarHBondContact N-OE1 2.93Å; S545-E659 PolarHBondContact OG-OE1 2.91Å; S545-R681 PolarHBondContact OG-NH1 3.24Å; S545-R681 PolarHBondContact OG-NH2 3.1Å
546	G	57.9	Low	74.7	Confident	46 Å²	46	57 Å²	57	47%	0.474	34%	0.339	S	S	.	.			trans	68.8	-13	-177.5	0	0	0	0	0	115.4	K324 K544	K324-G546 WeakPolarHBondContact CE-O 3.41Å; K324-G546 PolarHBondContact NZ-O 2.57Å; K544-G546 PolarHBondContact O-N 3.05Å
547	H	67.6	Low	74.6	Confident	16 Å²	16	65.3 Å²	65.3	7%	0.074	38%	0.384	C	S	.	.			trans	-56.1	152.8	-177.1	-54.8	-17	0	0	0	113	K324 S545 Q657 F696 N740	K324-H547 PolarHBondContact NZ-O 3.08Å; K324-H547 VanDerWaalsContact NZ-O 3.08Å; S545-H547 PolarHBondContact O-CE1 2.79Å; S545-H547 VanDerWaalsContact O-CE1 3.31Å; S545-H547 PolarHBondContact O-N 3.13Å; S545-H547 PolarHBondContact O-ND1 2.93Å; H547-Q657 PolarHBondContact CD2-O 2.99Å; H547-Q657 PolarHBondContact NE2-O 3.26Å; H547-F696 HydrophobicContact CB-CE2 3.92Å; H547-F696 HydrophobicContact CB-CZ 4.47Å; H547-F696 AromaticContact CD2-CE2 3.83Å; H547-F696 AromaticContact CD2-CZ 3.54Å; H547-F696 AromaticContact CE1-CZ 3.68Å; H547-F696 AromaticContact CG-CE2 3.61Å; H547-F696 AromaticContact CG-CZ 3.68Å; H547-F696 AromaticContact ND1-CE2 3.93Å; H547-F696 AromaticContact ND1-CZ 3.75Å; H547-F696 AromaticContact NE2-CZ 3.53Å; H547-N740 PolarHBondContact CE1-O 3.1Å; H547-N740 PolarHBondContact ND1-O 2.94Å
548	L	63.8	Low	75.2	Confident	97 Å²	97	66.1 Å²	66.1	51%	0.508	39%	0.389	S	S	.	.	S	Bend	trans	-89.1	-13.6	172.9	-83.6	169.8	0	0	0	113.2	K324	K324-L548 HydrophobicContact CB-CD1 4.38Å; K324-L548 HydrophobicContact CB-CD2 3.81Å; K324-L548 HydrophobicContact CB-CG 4.21Å; K324-L548 HydrophobicContact CD-CD2 3.69Å; K324-L548 HydrophobicContact CD-CG 3.97Å; K324-L548 HydrophobicContact CG-CD2 4.43Å
549	T	73.9	Confident	76	Confident	39 Å²	39	68.3 Å²	68.3	24%	0.239	40%	0.395	C	S	.	.			trans	-109.1	135	179.2	-57.1	0	0	0	0	109.2	L658 F696	T549-L658 HydrophobicContact CG2-CD1 4.5Å; T549-L658 VanDerWaalsContact O-CD1 3.23Å; T549-L658 WeakPolarHBondContact O-CD1 3.45Å; T549-F696 HydrophobicContact CG2-CB 4.2Å
550	M	86	Confident	77.1	Confident	75 Å²	75	69.1 Å²	69.1	37%	0.369	40%	0.403	S	S	.	.			trans	-124.5	155.2	169.4	-69.5	-179.9	173	0	0	109.2	E659 E661	M550-E659 CarbonylContact C-O 3.58Å; M550-E659 WeakPolarHBondContact CA-O 3.45Å; M550-E659 HydrophobicContact CE-CB 4.33Å; M550-E659 HydrophobicContact CG-CB 4.2Å; M550-E661 HydrophobicContact CB-CB 4.33Å
551	H	92.7	Very high	78.5	Confident	2 Å²	2	69 Å²	69	1%	0.009	40%	0.4	C	S	.	.	B	Isolated β-bridge	trans	-76.4	132.9	174.8	-172.7	52.8	0	0	0	111.3	L658 E659 I660 E661 M682 L686 S692	H551-L658 HydrophobicContact CB-CD2 4.35Å; H551-E659 PolarHBondContact N-O 3.01Å; H551-I660 HydrophobicContact CB-CG1 4.38Å; H551-E661 PolarHBondContact O-N 3.37Å; H551-M682 HydrophobicContact CB-CB 4.1Å; H551-M682 HydrophobicContact CB-CG 4.1Å; H551-M682 HydrophobicContact CB-SD 3.71Å; H551-M682 VanDerWaalsContact CG-SD 3.5Å; H551-L686 WeakPolarHBondContact NE2-CD1 3.26Å; H551-S692 WeakPolarHBondContact ND1-CB 3.4Å; H551-S692 PolarHBondContact ND1-OG 3.26Å
552	R	92.6	Very high	80	Confident	152 Å²	152	72 Å²	72	57%	0.574	41%	0.409	S	S	*	.			trans	-119.2	140.3	178.3	-70.4	-176.8	167.5	157.7	0.7	111.5	E661 D664	R552-E661 WeakPolarHBondContact CD-OE2 3.45Å; R552-E661 HydrophobicContact CG-CB 4.23Å; R552-E661 WeakPolarHBondContact CG-OE2 3.35Å; R552-E661 IonicContact CZ-OE1 3.61Å; R552-E661 VanDerWaalsContact CZ-OE1 3.27Å; R552-E661 IonicContact CZ-OE2 2.71Å; R552-E661 IonicContact NE-OE1 3.33Å; R552-E661 PolarHBondContact NE-OE1 3.27Å; R552-E661 IonicContact NE-OE2 3.15Å; R552-E661 PolarHBondContact NE-OE2 3.33Å; R552-E661 IonicContact NH2-OE1 2.96Å; R552-E661 PolarHBondContact NH2-OE1 2.71Å; R552-E661 IonicContact NH2-OE2 3.77Å; R552-D664 WeakPolarHBondContact CA-OD2 3.4Å
553	I	94.9	Very high	81.8	Confident	2 Å²	2	70 Å²	70	1%	0.01	38%	0.384	C	S	.	.			trans	-125	68	-174.8	-47.3	177.8	0	0	0	108.4	T555 L619 T623 D664 K667 T668 L686	I553-T555 HydrophobicContact CG2-CG2 4.36Å; I553-T555 PolarHBondContact O-N 2.91Å; I553-L619 HydrophobicContact CG2-CD1 4.22Å; I553-L619 HydrophobicContact CG2-CD2 4.31Å; I553-L619 HydrophobicContact CG2-CG 4.36Å; I553-T623 HydrophobicContact CG2-CG2 4.05Å; I553-D664 HydrophobicContact CB-CB 4.27Å; I553-D664 HydrophobicContact CG1-CB 4.34Å; I553-D664 PolarHBondContact N-OD2 3.39Å; I553-K667 HydrophobicContact CB-CD 4.1Å; I553-K667 HydrophobicContact CD1-CB 4.48Å; I553-K667 HydrophobicContact CG2-CB 4.4Å; I553-K667 HydrophobicContact CG2-CD 4.19Å; I553-K667 VanDerWaalsContact O-CD 3.31Å; I553-K667 WeakPolarHBondContact O-CD 3.43Å; I553-K667 PolarHBondContact O-NZ 3.2Å; I553-T668 HydrophobicContact CD1-CG2 3.42Å; I553-T668 VanDerWaalsContact CD1-CG2 3.42Å; I553-L686 HydrophobicContact CD1-CD1 3.86Å; I553-L686 HydrophobicContact CD1-CD2 4.34Å
554	S	92.8	Very high	83.3	Confident	65 Å²	65	74.7 Å²	74.7	46%	0.455	40%	0.397	S	S	.	.			trans	-65.8	122.1	173.6	-176.7	0	0	0	0	110.5	T623 V624	S554-T623 CarbonylContact O-C 3.46Å; S554-T623 WeakPolarHBondContact O-CA 3.48Å; S554-V624 PolarHBondContact O-N 2.89Å
555	T	91.3	Very high	85	Confident	15 Å²	15	70.2 Å²	70.2	9%	0.092	38%	0.382	C	S	.	.			trans	-112	1.3	-179.1	48.1	0	0	0	0	112.7	I553 A558 W596 L619 V622 K667	I553-T555 HydrophobicContact CG2-CG2 4.36Å; I553-T555 PolarHBondContact O-N 2.91Å; T555-A558 VanDerWaalsContact O-CB 3.24Å; T555-A558 WeakPolarHBondContact O-CB 3.45Å; T555-A558 PolarHBondContact O-N 3.27Å; T555-W596 HydrophobicContact CG2-CH2 4.12Å; T555-W596 HydrophobicContact CG2-CZ2 4.47Å; T555-L619 HydrophobicContact CG2-CD1 4.2Å; T555-V622 HydrophobicContact CG2-CG2 4.22Å; T555-K667 HydrophobicContact CG2-CD 4.15Å
556	G	87.3	Confident	86.5	Confident	47 Å²	47	74 Å²	74	49%	0.485	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	-145.1	-164.8	0	0	0	0	0	111.6	A558	G556-A558 PolarHBondContact O-N 3.3Å
557	D	86.1	Confident	88.1	Confident	175 Å²	175	84 Å²	84	94%	0.936	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	20	-177.5	-39.2	-57.8	0	0	0	113.7	N559	D557-N559 PolarHBondContact O-N 2.83Å
558	A	89.1	Confident	89.1	Confident	32 Å²	32	84.8 Å²	84.8	26%	0.264	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-77.2	124.2	-175.1	0	0	0	0	0	112.7	T555 G556 V622	T555-A558 VanDerWaalsContact O-CB 3.24Å; T555-A558 WeakPolarHBondContact O-CB 3.45Å; T555-A558 PolarHBondContact O-N 3.27Å; G556-A558 PolarHBondContact O-N 3.3Å; A558-V622 HydrophobicContact CB-CB 3.89Å; A558-V622 HydrophobicContact CB-CG1 4.13Å; A558-V622 HydrophobicContact CB-CG2 4.35Å
559	N	89.1	Confident	90.3	Very high	141 Å²	141	82.4 Å²	82.4	75%	0.754	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-57.9	149.7	175.3	-72.6	-33.7	0	0	0	112.9	D557 I561	D557-N559 PolarHBondContact O-N 2.83Å; N559-I561 PolarHBondContact O-N 3Å
560	P	93	Very high	91.1	Very high	65 Å²	65	86 Å²	86	42%	0.422	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-54.9	132.8	175.7	-26.6	35.3	0	0	0	114	S595 W596	P560-S595 WeakPolarHBondContact CB-O 3.2Å; P560-W596 HydrophobicContact CB-CD2 3.99Å; P560-W596 HydrophobicContact CB-CG 4.06Å; P560-W596 HydrophobicContact CB-CZ2 4.4Å; P560-W596 HydrophobicContact CG-CZ2 4.49Å
561	I	93.6	Very high	91.2	Very high	38 Å²	38	87.3 Å²	87.3	20%	0.195	45%	0.447	C	S	.	.			trans	-98.1	108	177.7	-58.6	175.6	0	0	0	108.9	N559 W596 A597 F598 K618 V622	N559-I561 PolarHBondContact O-N 3Å; I561-W596 HydrophobicContact CB-CE3 3.96Å; I561-W596 HydrophobicContact CB-CZ3 3.92Å; I561-W596 HydrophobicContact CD1-CZ3 4.11Å; I561-W596 HydrophobicContact CG1-CE3 4.32Å; I561-W596 HydrophobicContact CG1-CZ3 3.75Å; I561-A597 PolarHBondContact O-N 2.76Å; I561-F598 HydrophobicContact CB-CE1 4.12Å; I561-F598 HydrophobicContact CB-CZ 4.03Å; I561-F598 HydrophobicContact CG2-CE1 3.95Å; I561-F598 HydrophobicContact CG2-CZ 4.37Å; I561-K618 HydrophobicContact CD1-CB 4.22Å; I561-K618 HydrophobicContact CG2-CB 4.18Å; I561-K618 HydrophobicContact CG2-CD 3.8Å; I561-V622 HydrophobicContact CD1-CG1 4.19Å; I561-V622 HydrophobicContact CD1-CG2 3.96Å
562	Q	93	Very high	91.1	Very high	151 Å²	151	89.4 Å²	89.4	71%	0.706	46%	0.456	S	S	*	.	B	Isolated β-bridge	trans	-96.7	125	172.7	-157.6	-174.9	39.8	0	0	110.7	A597	Q562-A597 HydrophobicContact CG-CB 3.91Å
563	C	93.5	Very high	91.1	Very high	18 Å²	18	87.2 Å²	87.2	12%	0.122	45%	0.448	C	S	.	.			trans	-114.3	153.9	171.1	-56.8	0	0	0	0	110.3	A597 K618	C563-A597 WeakPolarHBondContact CB-O 3.29Å; C563-A597 PolarHBondContact N-O 2.74Å; C563-A597 PolarHBondContact SG-O 2.94Å; C563-A597 VanDerWaalsContact SG-O 3.41Å; C563-K618 PolarHBondContact SG-NZ 3.34Å
564	R	92.3	Very high	91	Very high	223 Å²	223	90.4 Å²	90.4	84%	0.842	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-80.4	149.7	167.7	-63.7	-177.9	-179.3	-175.9	-1.2	109.9
565	P	94.1	Very high	90.9	Very high	52 Å²	52	87.7 Å²	87.7	34%	0.338	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-61.6	152.1	171.4	27.1	-33.6	0	0	0	110.6	V671	P565-V671 HydrophobicContact CB-CG1 4.07Å; P565-V671 HydrophobicContact CB-CG2 4.17Å; P565-V671 HydrophobicContact CG-CG1 4.5Å; P565-V671 HydrophobicContact CG-CG2 4.04Å
566	Y	92.3	Very high	91	Very high	103 Å²	103	87.1 Å²	87.1	40%	0.404	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-73.2	147.9	171	-66.7	-47.3	0	0	0	110.9	V568 P599 V600 V601 D615	Y566-V568 PolarHBondContact O-N 2.85Å; Y566-P599 HydrophobicContact CD1-CB 4.45Å; Y566-P599 HydrophobicContact CD2-CB 3.65Å; Y566-P599 HydrophobicContact CD2-CG 3.92Å; Y566-P599 HydrophobicContact CE1-CB 4.49Å; Y566-P599 HydrophobicContact CE1-CG 4.15Å; Y566-P599 HydrophobicContact CE2-CB 3.7Å; Y566-P599 HydrophobicContact CE2-CG 3.4Å; Y566-P599 HydrophobicContact CG-CB 4.04Å; Y566-P599 HydrophobicContact CG-CG 4.49Å; Y566-V600 WeakPolarHBondContact CD2-O 3.2Å; Y566-V601 HydrophobicContact CD2-CG2 3.85Å; Y566-V601 HydrophobicContact CE2-CG2 3.6Å; Y566-D615 PolarHBondContact OH-OD2 3.16Å
567	R	91.1	Very high	91.3	Very high	255 Å²	255	88.3 Å²	88.3	96%	0.962	43%	0.431	S	S	*	.	P	Polyproline II helix	trans	-73.6	120.3	169.9	-173.1	-179.2	-174.9	-175.3	2.3	108.2
568	V	89.8	Confident	91.7	Very high	34 Å²	34	85.1 Å²	85.1	21%	0.206	41%	0.41	C	S	.	.			trans	-117.4	161	-178.9	-66.2	0	0	0	0	110.5	Y566 E572 R573 I576 P673	Y566-V568 PolarHBondContact O-N 2.85Å; V568-E572 HydrophobicContact CB-CB 3.83Å; V568-E572 HydrophobicContact CG1-CB 4.43Å; V568-E572 HydrophobicContact CG2-CB 4.47Å; V568-R573 HydrophobicContact CG2-CB 4.03Å; V568-I576 HydrophobicContact CG1-CD1 4.1Å; V568-I576 HydrophobicContact CG2-CD1 4.33Å; V568-P673 HydrophobicContact CG2-CG 3.73Å
569	S	88.8	Confident	91.8	Very high	47 Å²	47	85 Å²	85	33%	0.329	40%	0.404	S	S	.	.			trans	-69.8	163.1	171.4	64.2	0	0	0	0	112.1	L571 E572 R573	S569-L571 VanDerWaalsContact C-N 3.28Å; S569-L571 PolarHBondContact O-N 2.97Å; S569-E572 VanDerWaalsContact CB-OE2 3.31Å; S569-E572 WeakPolarHBondContact CB-OE2 3.5Å; S569-E572 PolarHBondContact N-OE2 3.13Å; S569-E572 PolarHBondContact O-N 3.37Å; S569-E572 WeakPolarHBondContact OG-CB 3.34Å; S569-E572 VanDerWaalsContact OG-CG 3.3Å; S569-E572 WeakPolarHBondContact OG-CG 3.45Å; S569-E572 PolarHBondContact OG-N 2.87Å; S569-E572 PolarHBondContact OG-OE2 3.12Å; S569-R573 PolarHBondContact O-N 3.02Å
570	P	89.4	Confident	92.1	Very high	114 Å²	114	78.6 Å²	78.6	74%	0.74	37%	0.37	S	S	*	.	H	α-helix	trans	-56.3	-40.5	174.3	-26.5	35.9	0	0	0	113.1	E572 R573 E574	P570-E572 PolarHBondContact O-N 3.35Å; P570-R573 PolarHBondContact O-N 3.45Å; P570-E574 WeakPolarHBondContact O-CB 3.42Å; P570-E574 PolarHBondContact O-N 2.98Å
571	L	89.4	Confident	92.1	Very high	102 Å²	102	79.8 Å²	79.8	53%	0.534	37%	0.37	S	S	.	.	H	α-helix	trans	-63.6	-38.4	177.3	-176.6	68	0	0	0	112.6	S569 A575 W610	S569-L571 VanDerWaalsContact C-N 3.28Å; S569-L571 PolarHBondContact O-N 2.97Å; L571-A575 WeakPolarHBondContact O-CB 3.32Å; L571-A575 PolarHBondContact O-N 2.8Å; L571-A575 VanDerWaalsContact O-N 3.07Å; L571-W610 HydrophobicContact CD2-CZ2 4.28Å; L571-W610 HydrophobicContact CG-CZ2 4.46Å
572	E	88.9	Confident	92	Very high	46 Å²	46	83.2 Å²	83.2	22%	0.215	39%	0.385	C	S	.	.	H	α-helix	trans	-74	-37.2	175.2	-73.6	168	115.3	0	0	112.2	V568 S569 P570 E574 A575 I576 T602 W610	V568-E572 HydrophobicContact CB-CB 3.83Å; V568-E572 HydrophobicContact CG1-CB 4.43Å; V568-E572 HydrophobicContact CG2-CB 4.47Å; S569-E572 VanDerWaalsContact CB-OE2 3.31Å; S569-E572 WeakPolarHBondContact CB-OE2 3.5Å; S569-E572 PolarHBondContact N-OE2 3.13Å; S569-E572 PolarHBondContact O-N 3.37Å; S569-E572 WeakPolarHBondContact OG-CB 3.34Å; S569-E572 VanDerWaalsContact OG-CG 3.3Å; S569-E572 WeakPolarHBondContact OG-CG 3.45Å; S569-E572 PolarHBondContact OG-N 2.87Å; S569-E572 PolarHBondContact OG-OE2 3.12Å; P570-E572 PolarHBondContact O-N 3.35Å; E572-E574 VanDerWaalsContact C-N 3.29Å; E572-E574 PolarHBondContact O-N 3.34Å; E572-A575 PolarHBondContact O-N 3.27Å; E572-I576 VanDerWaalsContact O-CB 3.3Å; E572-I576 WeakPolarHBondContact O-CB 3.37Å; E572-I576 WeakPolarHBondContact O-CD1 3.39Å; E572-I576 WeakPolarHBondContact O-CG1 3.33Å; E572-I576 PolarHBondContact O-N 3.21Å; E572-T602 PolarHBondContact OE1-OG1 3.33Å; E572-W610 HydrophobicContact CG-CH2 3.57Å; E572-W610 HydrophobicContact CG-CZ2 3.95Å; E572-W610 HydrophobicContact CG-CZ3 4.04Å
573	R	93.1	Very high	91.9	Very high	106 Å²	106	76.2 Å²	76.2	40%	0.4	35%	0.353	S	S	.	.	H	α-helix	trans	-60.4	-42.4	173.4	-169.5	-179	-174.6	163.8	5	110.7	V568 S569 P570 I576 R577 P673 D674	V568-R573 HydrophobicContact CG2-CB 4.03Å; S569-R573 PolarHBondContact O-N 3.02Å; P570-R573 PolarHBondContact O-N 3.45Å; R573-I576 PolarHBondContact O-N 3.11Å; R573-R577 PolarHBondContact O-N 2.93Å; R573-P673 HydrophobicContact CG-CB 4.33Å; R573-P673 HydrophobicContact CG-CG 4.39Å; R573-P673 PolarHBondContact NH2-O 2.71Å; R573-D674 IonicContact CZ-OD1 3.9Å; R573-D674 IonicContact NE-OD1 3.3Å; R573-D674 PolarHBondContact NE-OD1 2.8Å; R573-D674 IonicContact NE-OD2 3.9Å; R573-D674 IonicContact NH2-OD1 2.72Å; R573-D674 PolarHBondContact NH2-OD1 2.84Å
574	E	92.3	Very high	91.8	Very high	70 Å²	70	78.4 Å²	78.4	33%	0.327	36%	0.363	S	S	.	.	H	α-helix	trans	-60.1	-53	174.3	-168.3	54.1	-136.4	0	0	111.6	P570 E572 I576 R577 Q578	P570-E574 WeakPolarHBondContact O-CB 3.42Å; P570-E574 PolarHBondContact O-N 2.98Å; E572-E574 VanDerWaalsContact C-N 3.29Å; E572-E574 PolarHBondContact O-N 3.34Å; E574-I576 VanDerWaalsContact C-N 3.28Å; E574-I576 PolarHBondContact O-N 2.62Å; E574-R577 VanDerWaalsContact CD-NH1 3.3Å; E574-R577 PolarHBondContact O-N 2.86Å; E574-R577 VanDerWaalsContact O-N 3.1Å; E574-R577 IonicContact OE1-NH1 2.62Å; E574-R577 PolarHBondContact OE1-NH1 2.84Å; E574-R577 IonicContact OE2-CZ 2.67Å; E574-R577 IonicContact OE2-NH1 2.7Å; E574-R577 PolarHBondContact OE2-NH1 3.25Å; E574-R577 IonicContact OE2-NH2 3.92Å; E574-R577 PolarHBondContact OE2-NH2 2.94Å; E574-Q578 WeakPolarHBondContact O-CG 3.37Å; E574-Q578 PolarHBondContact O-N 3.29Å; E574-Q578 PolarHBondContact OE1-NE2 2.78Å
575	A	91.6	Very high	91.6	Very high	8 Å²	8	76.2 Å²	76.2	7%	0.066	35%	0.354	C	S	.	.	H	α-helix	trans	-63.7	-30.5	177.7	0	0	0	0	0	113.8	L571 E572 Q579 W610	L571-A575 WeakPolarHBondContact O-CB 3.32Å; L571-A575 PolarHBondContact O-N 2.8Å; L571-A575 VanDerWaalsContact O-N 3.07Å; E572-A575 PolarHBondContact O-N 3.27Å; A575-Q579 PolarHBondContact O-N 2.85Å; A575-Q579 PolarHBondContact O-NE2 2.77Å; A575-W610 HydrophobicContact CB-CB 4.2Å; A575-W610 HydrophobicContact CB-CD2 4.35Å; A575-W610 HydrophobicContact CB-CG 3.69Å
576	I	93.6	Very high	91.1	Very high	3 Å²	3	77 Å²	77	2%	0.015	36%	0.356	C	S	.	.	H	α-helix	trans	-66.5	-46.7	171.9	-78.1	166.8	0	0	0	110	V568 E572 R573 E574 Q579 V580 V600 T602 F612 T672	V568-I576 HydrophobicContact CG1-CD1 4.1Å; V568-I576 HydrophobicContact CG2-CD1 4.33Å; E572-I576 VanDerWaalsContact O-CB 3.3Å; E572-I576 WeakPolarHBondContact O-CB 3.37Å; E572-I576 WeakPolarHBondContact O-CD1 3.39Å; E572-I576 WeakPolarHBondContact O-CG1 3.33Å; E572-I576 PolarHBondContact O-N 3.21Å; R573-I576 PolarHBondContact O-N 3.11Å; E574-I576 VanDerWaalsContact C-N 3.28Å; E574-I576 PolarHBondContact O-N 2.62Å; I576-Q579 PolarHBondContact O-N 3.49Å; I576-V580 WeakPolarHBondContact O-CB 3.32Å; I576-V580 VanDerWaalsContact O-CG2 3.32Å; I576-V580 WeakPolarHBondContact O-CG2 3.33Å; I576-V580 PolarHBondContact O-N 3.04Å; I576-V600 HydrophobicContact CD1-CG1 4.21Å; I576-V600 HydrophobicContact CG1-CG1 4.16Å; I576-T602 HydrophobicContact CD1-CG2 3.96Å; I576-T602 HydrophobicContact CG1-CG2 3.61Å; I576-F612 HydrophobicContact CG2-CE2 4.23Å; I576-T672 HydrophobicContact CG2-CG2 3.68Å
577	R	94.1	Very high	90.9	Very high	71 Å²	71	72.8 Å²	72.8	27%	0.268	34%	0.344	S	S	.	.	H	α-helix	trans	-65.9	-46	-177.6	-154.4	-171.7	-43.9	102.6	13	111.9	R573 E574 Q579 V580 E581 D674	R573-R577 PolarHBondContact O-N 2.93Å; E574-R577 VanDerWaalsContact CD-NH1 3.3Å; E574-R577 PolarHBondContact O-N 2.86Å; E574-R577 VanDerWaalsContact O-N 3.1Å; E574-R577 IonicContact OE1-NH1 2.62Å; E574-R577 PolarHBondContact OE1-NH1 2.84Å; E574-R577 IonicContact OE2-CZ 2.67Å; E574-R577 IonicContact OE2-NH1 2.7Å; E574-R577 PolarHBondContact OE2-NH1 3.25Å; E574-R577 IonicContact OE2-NH2 3.92Å; E574-R577 PolarHBondContact OE2-NH2 2.94Å; R577-Q579 PolarHBondContact O-N 3.3Å; R577-V580 CarbonylContact O-C 3.48Å; R577-V580 WeakPolarHBondContact O-CA 3.21Å; R577-V580 WeakPolarHBondContact O-CB 3.44Å; R577-V580 PolarHBondContact O-N 3.26Å; R577-E581 WeakPolarHBondContact CD-OE1 3.47Å; R577-E581 WeakPolarHBondContact CG-OE1 3.42Å; R577-E581 WeakPolarHBondContact O-CG 3.46Å; R577-E581 PolarHBondContact O-N 3.19Å; R577-D674 IonicContact CZ-OD2 3.18Å; R577-D674 IonicContact NE-OD2 2.7Å; R577-D674 PolarHBondContact NE-OD2 2.81Å; R577-D674 IonicContact NH2-OD2 2.67Å
578	Q	93.1	Very high	90.8	Very high	108 Å²	108	61 Å²	61	51%	0.505	30%	0.299	S	S	.	.	H	α-helix	trans	-58.7	-44.3	177.8	-67.7	174.3	6.5	0	0	112.2	E574 V580 E581 E582	E574-Q578 WeakPolarHBondContact O-CG 3.37Å; E574-Q578 PolarHBondContact O-N 3.29Å; E574-Q578 PolarHBondContact OE1-NE2 2.78Å; Q578-V580 VanDerWaalsContact C-N 3.35Å; Q578-V580 PolarHBondContact O-N 3.45Å; Q578-E581 PolarHBondContact O-N 3.27Å; Q578-E582 WeakPolarHBondContact O-CB 3.4Å; Q578-E582 PolarHBondContact O-N 2.56Å
579	Q	91.9	Very high	91	Very high	30 Å²	30	59.5 Å²	59.5	14%	0.14	29%	0.291	C	S	.	.	H	α-helix	trans	-68.7	-29.5	174.4	-77.7	168	104.6	0	0	112.9	A575 I576 R577 M583 W610 F612	A575-Q579 PolarHBondContact O-N 2.85Å; A575-Q579 PolarHBondContact O-NE2 2.77Å; I576-Q579 PolarHBondContact O-N 3.49Å; R577-Q579 PolarHBondContact O-N 3.3Å; Q579-M583 HydrophobicContact CB-CE 4.43Å; Q579-M583 WeakPolarHBondContact O-CB 3.44Å; Q579-M583 VanDerWaalsContact O-CE 3.24Å; Q579-M583 WeakPolarHBondContact O-CE 3.28Å; Q579-M583 VanDerWaalsContact O-CG 3.27Å; Q579-M583 WeakPolarHBondContact O-CG 3.34Å; Q579-M583 PolarHBondContact O-N 3.36Å; Q579-W610 PolarHBondContact OE1-O 3.37Å; Q579-F612 HydrophobicContact CB-CD2 4Å
580	V	94.6	Very high	91.3	Very high	6 Å²	6	58.6 Å²	58.6	4%	0.036	28%	0.281	C	S	.	.	H	α-helix	trans	-71	-42.7	173	163.3	0	0	0	0	111	I576 R577 Q578 M583 L584 I589 F612 F670 T672 F677	I576-V580 WeakPolarHBondContact O-CB 3.32Å; I576-V580 VanDerWaalsContact O-CG2 3.32Å; I576-V580 WeakPolarHBondContact O-CG2 3.33Å; I576-V580 PolarHBondContact O-N 3.04Å; R577-V580 CarbonylContact O-C 3.48Å; R577-V580 WeakPolarHBondContact O-CA 3.21Å; R577-V580 WeakPolarHBondContact O-CB 3.44Å; R577-V580 PolarHBondContact O-N 3.26Å; Q578-V580 VanDerWaalsContact C-N 3.35Å; Q578-V580 PolarHBondContact O-N 3.45Å; V580-M583 HydrophobicContact CG2-CE 4.47Å; V580-M583 PolarHBondContact O-N 2.92Å; V580-L584 HydrophobicContact CG1-CD1 3.81Å; V580-L584 HydrophobicContact CG1-CG 4.38Å; V580-L584 VanDerWaalsContact O-CB 3.3Å; V580-L584 WeakPolarHBondContact O-CB 3.45Å; V580-L584 VanDerWaalsContact O-CG 3.23Å; V580-L584 WeakPolarHBondContact O-CG 3.22Å; V580-L584 PolarHBondContact O-N 3.11Å; V580-I589 HydrophobicContact CB-CD1 4.39Å; V580-I589 HydrophobicContact CG1-CD1 4.03Å; V580-I589 HydrophobicContact CG2-CD1 4.37Å; V580-F612 HydrophobicContact CG2-CE2 3.76Å; V580-F612 HydrophobicContact CG2-CZ 3.96Å; V580-F670 HydrophobicContact CG2-CE2 4.22Å; V580-T672 HydrophobicContact CG2-CG2 4.39Å; V580-F677 HydrophobicContact CG1-CD1 4.35Å; V580-F677 HydrophobicContact CG1-CD2 4.27Å; V580-F677 HydrophobicContact CG1-CE1 3.98Å; V580-F677 HydrophobicContact CG1-CE2 3.88Å; V580-F677 HydrophobicContact CG1-CG 4.5Å; V580-F677 HydrophobicContact CG1-CZ 3.72Å
581	E	94.2	Very high	91.6	Very high	90 Å²	90	57.6 Å²	57.6	42%	0.421	28%	0.275	S	S	.	.	H	α-helix	trans	-64.4	-38.7	175.4	-71.4	170.3	-155.5	0	0	112.1	R577 Q578 R585	R577-E581 WeakPolarHBondContact CD-OE1 3.47Å; R577-E581 WeakPolarHBondContact CG-OE1 3.42Å; R577-E581 WeakPolarHBondContact O-CG 3.46Å; R577-E581 PolarHBondContact O-N 3.19Å; Q578-E581 PolarHBondContact O-N 3.27Å; E581-R585 VanDerWaalsContact O-CB 3.23Å; E581-R585 WeakPolarHBondContact O-CB 3.4Å; E581-R585 PolarHBondContact O-N 2.88Å
582	E	90.3	Very high	91.9	Very high	110 Å²	110	53.1 Å²	53.1	51%	0.514	25%	0.252	S	S	.	.	H	α-helix	trans	-61.6	-54.6	170.6	-175.8	-179.5	-154.8	0	0	111.2	Q578 L584 R585 D586	Q578-E582 WeakPolarHBondContact O-CB 3.4Å; Q578-E582 PolarHBondContact O-N 2.56Å; E582-L584 VanDerWaalsContact C-N 3.3Å; E582-L584 PolarHBondContact O-N 3.07Å; E582-R585 WeakPolarHBondContact O-CB 3.15Å; E582-R585 PolarHBondContact O-N 3.47Å; E582-R585 VanDerWaalsContact O-N 3.16Å; E582-D586 PolarHBondContact O-N 2.87Å
583	M	91.2	Very high	92.1	Very high	5 Å²	5	59.1 Å²	59.1	3%	0.025	29%	0.285	C	S	.	.	H	α-helix	trans	-65.6	-27.8	-179.9	-73.2	-174.6	-70.3	0	0	113.9	Q579 V580 G587 I588 I589 F612 W656 F679	Q579-M583 HydrophobicContact CB-CE 4.43Å; Q579-M583 WeakPolarHBondContact O-CB 3.44Å; Q579-M583 VanDerWaalsContact O-CE 3.24Å; Q579-M583 WeakPolarHBondContact O-CE 3.28Å; Q579-M583 VanDerWaalsContact O-CG 3.27Å; Q579-M583 WeakPolarHBondContact O-CG 3.34Å; Q579-M583 PolarHBondContact O-N 3.36Å; V580-M583 HydrophobicContact CG2-CE 4.47Å; V580-M583 PolarHBondContact O-N 2.92Å; M583-G587 PolarHBondContact O-N 3.35Å; M583-I588 HydrophobicContact CB-CB 4.08Å; M583-I588 HydrophobicContact CB-CG2 4.4Å; M583-I588 HydrophobicContact CG-CB 4.28Å; M583-I588 HydrophobicContact CG-CD1 4.18Å; M583-I588 HydrophobicContact CG-CG2 4.22Å; M583-I588 PolarHBondContact O-N 3.29Å; M583-I588 HydrophobicContact SD-CG2 4.3Å; M583-I589 HydrophobicContact CB-CD1 3.72Å; M583-I589 HydrophobicContact CB-CG1 3.72Å; M583-I589 HydrophobicContact CB-CG2 4.15Å; M583-I589 HydrophobicContact CE-CD1 4.31Å; M583-I589 PolarHBondContact O-N 3.39Å; M583-I589 HydrophobicContact SD-CG2 4.25Å; M583-F612 HydrophobicContact CE-CD1 3.82Å; M583-F612 HydrophobicContact CE-CD2 3.9Å; M583-F612 HydrophobicContact CE-CE1 3.86Å; M583-F612 HydrophobicContact CE-CE2 3.94Å; M583-F612 HydrophobicContact CE-CG 3.83Å; M583-F612 HydrophobicContact CE-CZ 3.91Å; M583-W656 HydrophobicContact SD-CH2 4.45Å; M583-W656 HydrophobicContact SD-CZ2 4.1Å; M583-F679 HydrophobicContact SD-CE1 4.05Å; M583-F679 HydrophobicContact SD-CZ 4.32Å
584	L	91.9	Very high	92.1	Very high	63 Å²	63	54.7 Å²	54.7	33%	0.33	27%	0.271	S	S	.	.	H	α-helix	trans	-70.3	-46.4	171.7	-79.6	166.4	0	0	0	110.8	V580 E582 D586 G587 I589 P591 F677	V580-L584 HydrophobicContact CG1-CD1 3.81Å; V580-L584 HydrophobicContact CG1-CG 4.38Å; V580-L584 VanDerWaalsContact O-CB 3.3Å; V580-L584 WeakPolarHBondContact O-CB 3.45Å; V580-L584 VanDerWaalsContact O-CG 3.23Å; V580-L584 WeakPolarHBondContact O-CG 3.22Å; V580-L584 PolarHBondContact O-N 3.11Å; E582-L584 VanDerWaalsContact C-N 3.3Å; E582-L584 PolarHBondContact O-N 3.07Å; L584-D586 VanDerWaalsContact C-N 3.31Å; L584-D586 PolarHBondContact O-N 3.03Å; L584-G587 PolarHBondContact O-N 2.83Å; L584-G587 VanDerWaalsContact O-N 3.14Å; L584-I589 HydrophobicContact CD2-CD1 4.38Å; L584-I589 HydrophobicContact CD2-CG1 3.91Å; L584-I589 HydrophobicContact CG-CD1 3.97Å; L584-I589 HydrophobicContact CG-CG1 3.85Å; L584-P591 HydrophobicContact CD2-CG 4.42Å; L584-F677 HydrophobicContact CD1-CD1 4.46Å; L584-F677 HydrophobicContact CD1-CE1 3.99Å; L584-F677 HydrophobicContact CD2-CD1 4.34Å
585	R	88.9	Confident	92.2	Very high	177 Å²	177	55.2 Å²	55.2	67%	0.668	28%	0.282	S	S	*	.	H	α-helix	trans	-60	-40.8	178.3	-172.8	-173.7	-52.4	-162.6	2.6	111.8	V541 E581 E582 G587	V541-R585 WeakPolarHBondContact CG1-O 3.5Å; E581-R585 VanDerWaalsContact O-CB 3.23Å; E581-R585 WeakPolarHBondContact O-CB 3.4Å; E581-R585 PolarHBondContact O-N 2.88Å; E582-R585 WeakPolarHBondContact O-CB 3.15Å; E582-R585 PolarHBondContact O-N 3.47Å; E582-R585 VanDerWaalsContact O-N 3.16Å; R585-G587 VanDerWaalsContact C-N 3.29Å; R585-G587 PolarHBondContact O-N 2.85Å
586	D	83.5	Confident	92.4	Very high	69 Å²	69	55.7 Å²	55.7	37%	0.369	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-5.3	179.2	-72.5	6.2	0	0	0	113.4	E582 L584 I588	E582-D586 PolarHBondContact O-N 2.87Å; L584-D586 VanDerWaalsContact C-N 3.31Å; L584-D586 PolarHBondContact O-N 3.03Å; D586-I588 VanDerWaalsContact C-N 3.29Å; D586-I588 HydrophobicContact CB-CD1 3.83Å; D586-I588 HydrophobicContact CB-CG1 4.02Å; D586-I588 PolarHBondContact O-N 2.98Å
587	G	87	Confident	92.6	Very high	14 Å²	14	55.8 Å²	55.8	14%	0.144	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.1	17.8	-180	0	0	0	0	0	114.9	M583 L584 R585	M583-G587 PolarHBondContact O-N 3.35Å; L584-G587 PolarHBondContact O-N 2.83Å; L584-G587 VanDerWaalsContact O-N 3.14Å; R585-G587 VanDerWaalsContact C-N 3.29Å; R585-G587 PolarHBondContact O-N 2.85Å
588	I	89.4	Confident	92.7	Very high	7 Å²	7	52.4 Å²	52.4	4%	0.036	27%	0.27	C	S	.	.	S	Bend	trans	-71.3	-36.7	177.5	-63.2	165.5	0	0	0	110.4	M583 D586 W656 F679 R680 R681	M583-I588 HydrophobicContact CB-CB 4.08Å; M583-I588 HydrophobicContact CB-CG2 4.4Å; M583-I588 HydrophobicContact CG-CB 4.28Å; M583-I588 HydrophobicContact CG-CD1 4.18Å; M583-I588 HydrophobicContact CG-CG2 4.22Å; M583-I588 PolarHBondContact O-N 3.29Å; M583-I588 HydrophobicContact SD-CG2 4.3Å; D586-I588 VanDerWaalsContact C-N 3.29Å; D586-I588 HydrophobicContact CB-CD1 3.83Å; D586-I588 HydrophobicContact CB-CG1 4.02Å; D586-I588 PolarHBondContact O-N 2.98Å; I588-W656 HydrophobicContact CD1-CD2 4.08Å; I588-W656 HydrophobicContact CD1-CE3 3.58Å; I588-W656 HydrophobicContact CD1-CH2 4.39Å; I588-W656 HydrophobicContact CD1-CZ3 3.76Å; I588-W656 HydrophobicContact CG2-CD2 4.15Å; I588-W656 HydrophobicContact CG2-CG 4.18Å; I588-F679 HydrophobicContact CG2-CD1 4Å; I588-F679 HydrophobicContact CG2-CE1 4.01Å; I588-R680 PolarHBondContact O-N 3.29Å; I588-R681 HydrophobicContact CG2-CB 4.32Å; I588-R681 PolarHBondContact O-N 2.76Å
589	I	94.2	Very high	92.9	Very high	4 Å²	4	47.4 Å²	47.4	2%	0.021	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	167.6	178.1	67.8	178.6	0	0	0	111.8	V580 M583 L584 F670 F677 Q678 F679	V580-I589 HydrophobicContact CB-CD1 4.39Å; V580-I589 HydrophobicContact CG1-CD1 4.03Å; V580-I589 HydrophobicContact CG2-CD1 4.37Å; M583-I589 HydrophobicContact CB-CD1 3.72Å; M583-I589 HydrophobicContact CB-CG1 3.72Å; M583-I589 HydrophobicContact CB-CG2 4.15Å; M583-I589 HydrophobicContact CE-CD1 4.31Å; M583-I589 PolarHBondContact O-N 3.39Å; M583-I589 HydrophobicContact SD-CG2 4.25Å; L584-I589 HydrophobicContact CD2-CD1 4.38Å; L584-I589 HydrophobicContact CD2-CG1 3.91Å; L584-I589 HydrophobicContact CG-CD1 3.97Å; L584-I589 HydrophobicContact CG-CG1 3.85Å; I589-F670 HydrophobicContact CB-CE1 4.44Å; I589-F670 HydrophobicContact CD1-CZ 3.77Å; I589-F670 HydrophobicContact CG2-CE1 3.86Å; I589-F670 HydrophobicContact CG2-CZ 4.1Å; I589-F677 HydrophobicContact CD1-CB 4.39Å; I589-Q678 CarbonylContact C-O 3.43Å; I589-Q678 WeakPolarHBondContact CA-O 3.16Å; I589-Q678 WeakPolarHBondContact CB-O 2.86Å; I589-F679 HydrophobicContact CG2-CD1 3.47Å; I589-F679 VanDerWaalsContact CG2-CD1 3.47Å; I589-F679 HydrophobicContact CG2-CD2 4.38Å; I589-F679 HydrophobicContact CG2-CE1 3.46Å; I589-F679 VanDerWaalsContact CG2-CE1 3.46Å; I589-F679 HydrophobicContact CG2-CE2 4.4Å; I589-F679 HydrophobicContact CG2-CG 3.93Å; I589-F679 HydrophobicContact CG2-CZ 3.95Å
590	E	95	Very high	93	Very high	27 Å²	27	46.3 Å²	46.3	13%	0.126	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	156.1	172.2	64.4	-166.1	157.7	0	0	110.4	R665 F677 Q678 R680	E590-R665 WeakPolarHBondContact OE1-CD 3.28Å; E590-R665 IonicContact OE1-NH1 3.21Å; E590-F677 CarbonylContact O-C 3.56Å; E590-F677 VanDerWaalsContact O-CA 3.28Å; E590-F677 WeakPolarHBondContact O-CA 3.17Å; E590-Q678 HydrophobicContact CG-CG 3.51Å; E590-Q678 PolarHBondContact N-O 3.19Å; E590-Q678 PolarHBondContact O-N 3.48Å; E590-Q678 PolarHBondContact OE1-NE2 3.31Å; E590-R680 HydrophobicContact CB-CG 4.48Å; E590-R680 VanDerWaalsContact CD-NE 3.35Å; E590-R680 HydrophobicContact CG-CG 4.21Å; E590-R680 IonicContact OE1-NE 3.37Å; E590-R680 IonicContact OE2-CZ 3.99Å; E590-R680 IonicContact OE2-NE 3.06Å; E590-R680 PolarHBondContact OE2-NE 3.39Å; E590-R680 IonicContact OE2-NH2 2.66Å; E590-R680 PolarHBondContact OE2-NH2 3Å
591	P	96.5	Very high	92.8	Very high	94 Å²	94	48.6 Å²	48.6	61%	0.61	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.6	146.1	169.2	-22.9	34.8	0	0	0	111.3	L584	L584-P591 HydrophobicContact CD2-CG 4.42Å
592	S	95.5	Very high	92.4	Very high	7 Å²	7	45.1 Å²	45.1	5%	0.049	24%	0.241	C	C	.	.			trans	-134.4	140.6	-173.5	-174.5	0	0	0	0	113.2	S594 L676 Q678	S592-S594 VanDerWaalsContact OG-CB 3.25Å; S592-S594 WeakPolarHBondContact OG-CB 3.12Å; S592-S594 PolarHBondContact OG-N 2.95Å; S592-S594 VanDerWaalsContact OG-N 3.15Å; S592-L676 PolarHBondContact N-O 2.73Å; S592-L676 VanDerWaalsContact O-CD2 3.31Å; S592-L676 WeakPolarHBondContact O-CD2 3.23Å; S592-L676 WeakPolarHBondContact O-CG 3.42Å; S592-Q678 PolarHBondContact OG-OE1 2.94Å
593	N	93.3	Very high	92	Very high	172 Å²	172	43.4 Å²	43.4	92%	0.92	24%	0.238	S	C	*	.			trans	-106.3	25.7	170.5	-64.1	-27	0	0	0	111.4
594	S	92.9	Very high	91.6	Very high	13 Å²	13	50.2 Å²	50.2	9%	0.091	26%	0.264	C	S	.	.			trans	-69.4	142.8	-174.7	-174.7	0	0	0	0	113.5	S592 W596 P666	S592-S594 VanDerWaalsContact OG-CB 3.25Å; S592-S594 WeakPolarHBondContact OG-CB 3.12Å; S592-S594 PolarHBondContact OG-N 2.95Å; S592-S594 VanDerWaalsContact OG-N 3.15Å; S594-W596 PolarHBondContact O-N 2.96Å; S594-W596 PolarHBondContact OG-N 3.19Å; S594-P666 WeakPolarHBondContact CB-O 3.44Å; S594-P666 WeakPolarHBondContact OG-CB 2.96Å; S594-P666 PolarHBondContact OG-O 3.22Å
595	S	93.5	Very high	90.9	Very high	81 Å²	81	51.1 Å²	51.1	57%	0.566	27%	0.265	S	S	*	.	S	Bend	trans	-70	-11.5	167.8	-44.6	0	0	0	0	113.4	P560	P560-S595 WeakPolarHBondContact CB-O 3.2Å
596	W	96.8	Very high	90.1	Very high	19 Å²	19	53.5 Å²	53.5	7%	0.072	28%	0.28	C	S	.	.			trans	-89.5	143.9	170.7	-59.5	82.9	0	0	0	110	T555 P560 I561 S594 F598 L619 V622 P666 K667 A669	T555-W596 HydrophobicContact CG2-CH2 4.12Å; T555-W596 HydrophobicContact CG2-CZ2 4.47Å; P560-W596 HydrophobicContact CB-CD2 3.99Å; P560-W596 HydrophobicContact CB-CG 4.06Å; P560-W596 HydrophobicContact CB-CZ2 4.4Å; P560-W596 HydrophobicContact CG-CZ2 4.49Å; I561-W596 HydrophobicContact CB-CE3 3.96Å; I561-W596 HydrophobicContact CB-CZ3 3.92Å; I561-W596 HydrophobicContact CD1-CZ3 4.11Å; I561-W596 HydrophobicContact CG1-CE3 4.32Å; I561-W596 HydrophobicContact CG1-CZ3 3.75Å; S594-W596 PolarHBondContact O-N 2.96Å; S594-W596 PolarHBondContact OG-N 3.19Å; W596-F598 HydrophobicContact CB-CE2 4.26Å; W596-F598 AromaticContact CE3-CE2 3.94Å; W596-F598 HydrophobicContact CE3-CE2 3.94Å; W596-F598 AromaticContact CE3-CZ 3.72Å; W596-F598 HydrophobicContact CE3-CZ 3.72Å; W596-F598 HydrophobicContact CZ3-CZ 4.23Å; W596-L619 HydrophobicContact CE3-CD1 4.18Å; W596-L619 HydrophobicContact CH2-CD1 4.45Å; W596-L619 HydrophobicContact CZ3-CD1 3.88Å; W596-V622 HydrophobicContact CH2-CG2 4.36Å; W596-V622 HydrophobicContact CZ3-CG2 4.36Å; W596-P666 WeakPolarHBondContact CB-O 3.43Å; W596-K667 HydrophobicContact CD2-CG 4.43Å; W596-K667 HydrophobicContact CZ2-CG 4.26Å; W596-A669 WeakPolarHBondContact O-CB 3.49Å
597	A	96.6	Very high	89.9	Confident	4 Å²	4	55.2 Å²	55.2	3%	0.033	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-152.5	127.6	171.5	0	0	0	0	0	111.3	I561 Q562 C563 A669 V671 L676	I561-A597 PolarHBondContact O-N 2.76Å; Q562-A597 HydrophobicContact CG-CB 3.91Å; C563-A597 WeakPolarHBondContact CB-O 3.29Å; C563-A597 PolarHBondContact N-O 2.74Å; C563-A597 PolarHBondContact SG-O 2.94Å; C563-A597 VanDerWaalsContact SG-O 3.41Å; A597-A669 CarbonylContact C-O 3.54Å; A597-A669 WeakPolarHBondContact CA-O 3.32Å; A597-V671 HydrophobicContact CB-CB 4.28Å; A597-V671 HydrophobicContact CB-CG1 4.13Å; A597-L676 HydrophobicContact CB-CD1 4.1Å
598	F	97.4	Very high	89.4	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	138.8	175.8	-60.9	-74.6	0	0	0	111.3	I561 W596 V614 Y616 K618 L619 K667 A669 F670 V671	I561-F598 HydrophobicContact CB-CE1 4.12Å; I561-F598 HydrophobicContact CB-CZ 4.03Å; I561-F598 HydrophobicContact CG2-CE1 3.95Å; I561-F598 HydrophobicContact CG2-CZ 4.37Å; W596-F598 HydrophobicContact CB-CE2 4.26Å; W596-F598 AromaticContact CE3-CE2 3.94Å; W596-F598 HydrophobicContact CE3-CE2 3.94Å; W596-F598 AromaticContact CE3-CZ 3.72Å; W596-F598 HydrophobicContact CE3-CZ 3.72Å; W596-F598 HydrophobicContact CZ3-CZ 4.23Å; F598-V614 HydrophobicContact CB-CG1 3.54Å; F598-Y616 HydrophobicContact CB-CD1 4.16Å; F598-Y616 HydrophobicContact CB-CE1 4.24Å; F598-Y616 AromaticContact CD2-CD1 3.77Å; F598-Y616 HydrophobicContact CD2-CD1 3.77Å; F598-Y616 AromaticContact CD2-CE1 3.83Å; F598-Y616 HydrophobicContact CD2-CE1 3.83Å; F598-Y616 HydrophobicContact CE2-CD1 4.41Å; F598-Y616 AromaticContact CG-CD1 3.92Å; F598-Y616 HydrophobicContact CG-CD1 3.92Å; F598-Y616 HydrophobicContact CG-CE1 4.23Å; F598-K618 HydrophobicContact CD1-CB 4.47Å; F598-K618 HydrophobicContact CE1-CB 3.89Å; F598-L619 HydrophobicContact CE1-CB 3.97Å; F598-L619 HydrophobicContact CE2-CB 3.96Å; F598-L619 HydrophobicContact CE2-CD1 4.23Å; F598-L619 HydrophobicContact CE2-CD2 4.15Å; F598-L619 HydrophobicContact CE2-CG 4.35Å; F598-L619 HydrophobicContact CZ-CB 3.57Å; F598-L619 HydrophobicContact CZ-CD1 4.12Å; F598-L619 HydrophobicContact CZ-CG 4.28Å; F598-K667 WeakPolarHBondContact CE2-O 3.41Å; F598-A669 WeakPolarHBondContact CD2-O 3.28Å; F598-A669 PolarHBondContact N-O 3.34Å; F598-F670 CarbonylContact O-C 3.57Å; F598-F670 WeakPolarHBondContact O-CA 3.37Å; F598-F670 WeakPolarHBondContact O-CB 3.33Å; F598-V671 PolarHBondContact O-N 3.22Å
599	P	95.8	Very high	89.1	Confident	4 Å²	4	59.2 Å²	59.2	3%	0.026	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	149.5	-173.8	32.6	-34.3	0	0	0	112	Y566 D615	Y566-P599 HydrophobicContact CD1-CB 4.45Å; Y566-P599 HydrophobicContact CD2-CB 3.65Å; Y566-P599 HydrophobicContact CD2-CG 3.92Å; Y566-P599 HydrophobicContact CE1-CB 4.49Å; Y566-P599 HydrophobicContact CE1-CG 4.15Å; Y566-P599 HydrophobicContact CE2-CB 3.7Å; Y566-P599 HydrophobicContact CE2-CG 3.4Å; Y566-P599 HydrophobicContact CG-CB 4.04Å; Y566-P599 HydrophobicContact CG-CG 4.49Å; P599-D615 HydrophobicContact CG-CB 4.03Å; P599-D615 PolarHBondContact O-N 3.11Å
600	V	95.2	Very high	88.6	Confident	6 Å²	6	61.3 Å²	61.3	4%	0.036	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	140.5	172.4	-177.8	0	0	0	0	110.9	Y566 I576 F612 C613 V614 F670 T672	Y566-V600 WeakPolarHBondContact CD2-O 3.2Å; I576-V600 HydrophobicContact CD1-CG1 4.21Å; I576-V600 HydrophobicContact CG1-CG1 4.16Å; V600-F612 HydrophobicContact CB-CZ 4.27Å; V600-F612 HydrophobicContact CG1-CD1 4.3Å; V600-F612 HydrophobicContact CG1-CD2 4Å; V600-F612 HydrophobicContact CG1-CE1 4.03Å; V600-F612 HydrophobicContact CG1-CE2 3.72Å; V600-F612 HydrophobicContact CG1-CG 4.28Å; V600-F612 HydrophobicContact CG1-CZ 3.74Å; V600-F612 HydrophobicContact CG2-CE1 3.82Å; V600-F612 HydrophobicContact CG2-CE2 4.15Å; V600-F612 HydrophobicContact CG2-CZ 3.44Å; V600-F612 VanDerWaalsContact CG2-CZ 3.44Å; V600-C613 CarbonylContact C-O 3.48Å; V600-C613 WeakPolarHBondContact CA-O 3.46Å; V600-V614 HydrophobicContact CG2-CG2 4.33Å; V600-F670 HydrophobicContact CG2-CB 4.49Å; V600-F670 HydrophobicContact CG2-CD2 3.68Å; V600-F670 HydrophobicContact CG2-CE2 4.36Å; V600-F670 HydrophobicContact CG2-CG 4.42Å; V600-T672 HydrophobicContact CG2-CG2 3.89Å
601	V	89.5	Confident	88.1	Confident	55 Å²	55	66.9 Å²	66.9	33%	0.333	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	122	171.9	-178.6	0	0	0	0	108.5	Y566 V603 C613 D615	Y566-V601 HydrophobicContact CD2-CG2 3.85Å; Y566-V601 HydrophobicContact CE2-CG2 3.6Å; V601-V603 HydrophobicContact CG1-CG2 4.24Å; V601-C613 PolarHBondContact N-O 3.09Å; V601-C613 WeakPolarHBondContact O-CB 3.45Å; V601-C613 PolarHBondContact O-N 2.95Å; V601-D615 HydrophobicContact CG2-CB 4.45Å
602	T	85.3	Confident	87.8	Confident	16 Å²	16	63.7 Å²	63.7	10%	0.098	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	130	173.7	25.7	0	0	0	0	111.2	E572 I576 W610	E572-T602 PolarHBondContact OE1-OG1 3.33Å; I576-T602 HydrophobicContact CD1-CG2 3.96Å; I576-T602 HydrophobicContact CG1-CG2 3.61Å; T602-W610 HydrophobicContact CG2-CE3 4.19Å
603	V	81.9	Confident	87.5	Confident	74 Å²	74	65.6 Å²	65.6	45%	0.448	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	131	174.3	-173.3	0	0	0	0	109.3	V601 W610 R611	V601-V603 HydrophobicContact CG1-CG2 4.24Å; V603-W610 CarbonylContact O-C 3.58Å; V603-R611 PolarHBondContact N-O 2.94Å; V603-R611 WeakPolarHBondContact O-CB 3.23Å; V603-R611 PolarHBondContact O-N 3.38Å
604	R	83.5	Confident	87.6	Confident	149 Å²	149	58.1 Å²	58.1	56%	0.562	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.3	136.9	173.6	-71	-167.8	175.6	-154	0.4	111.4	W610	R604-W610 HydrophobicContact CG-CD2 4.01Å; R604-W610 HydrophobicContact CG-CE3 3.64Å; R604-W610 HydrophobicContact CG-CH2 3.93Å; R604-W610 HydrophobicContact CG-CZ2 4.23Å; R604-W610 HydrophobicContact CG-CZ3 3.61Å
605	K	77.5	Confident	87.6	Confident	82 Å²	82	58.5 Å²	58.5	36%	0.357	30%	0.297	S	S	.	.			trans	-80.4	173.5	168.9	-56.5	-177.7	-155.5	128.2	0	110.1	D607 G608 T609 W610 R611	K605-D607 VanDerWaalsContact C-N 3.26Å; K605-D607 WeakPolarHBondContact CB-OD1 3.15Å; K605-D607 WeakPolarHBondContact CB-OD2 3.44Å; K605-D607 PolarHBondContact O-N 3.45Å; K605-G608 PolarHBondContact O-N 3.49Å; K605-T609 WeakPolarHBondContact CD-OG1 3.44Å; K605-T609 WeakPolarHBondContact CE-OG1 3.39Å; K605-T609 PolarHBondContact N-O 3.12Å; K605-T609 PolarHBondContact NZ-OG1 2.98Å; K605-W610 WeakPolarHBondContact CE-O 3.3Å; K605-W610 PolarHBondContact NZ-O 2.69Å; K605-R611 HydrophobicContact CG-CB 4.03Å
606	K	72.4	Confident	87.7	Confident	227 Å²	227	54.8 Å²	54.8	99%	0.987	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-32.9	175.6	-72.8	-173.2	176.6	-176.6	0	112.7	G608	K606-G608 PolarHBondContact O-N 3.38Å
607	D	79.5	Confident	87.5	Confident	105 Å²	105	62.3 Å²	62.3	56%	0.561	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	4.8	176.1	53.9	59.6	0	0	0	114	K605 T609	K605-D607 VanDerWaalsContact C-N 3.26Å; K605-D607 WeakPolarHBondContact CB-OD1 3.15Å; K605-D607 WeakPolarHBondContact CB-OD2 3.44Å; K605-D607 PolarHBondContact O-N 3.45Å; D607-T609 PolarHBondContact O-N 2.77Å; D607-T609 WeakPolarHBondContact OD1-CA 3.25Å; D607-T609 WeakPolarHBondContact OD1-CB 3.39Å; D607-T609 VanDerWaalsContact OD1-CG2 3.32Å; D607-T609 WeakPolarHBondContact OD1-CG2 2.85Å; D607-T609 PolarHBondContact OD1-N 3.4Å; D607-T609 PolarHBondContact OD1-OG1 3.25Å
608	G	76.6	Confident	87.3	Confident	36 Å²	36	67.5 Å²	67.5	37%	0.371	32%	0.321	S	S	.	.	S	Bend	trans	81.2	-19.8	-179.6	0	0	0	0	0	115.1	K605 K606	K605-G608 PolarHBondContact O-N 3.49Å; K606-G608 PolarHBondContact O-N 3.38Å
609	T	82.4	Confident	87.3	Confident	68 Å²	68	67.5 Å²	67.5	42%	0.417	32%	0.321	S	S	.	.			trans	-68.6	160.8	176.9	73.1	0	0	0	0	111.4	K605 D607	K605-T609 WeakPolarHBondContact CD-OG1 3.44Å; K605-T609 WeakPolarHBondContact CE-OG1 3.39Å; K605-T609 PolarHBondContact N-O 3.12Å; K605-T609 PolarHBondContact NZ-OG1 2.98Å; D607-T609 PolarHBondContact O-N 2.77Å; D607-T609 WeakPolarHBondContact OD1-CA 3.25Å; D607-T609 WeakPolarHBondContact OD1-CB 3.39Å; D607-T609 VanDerWaalsContact OD1-CG2 3.32Å; D607-T609 WeakPolarHBondContact OD1-CG2 2.85Å; D607-T609 PolarHBondContact OD1-N 3.4Å; D607-T609 PolarHBondContact OD1-OG1 3.25Å
610	W	84.1	Confident	87.2	Confident	48 Å²	48	68.5 Å²	68.5	18%	0.182	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	153.1	178.2	-61.4	96.7	0	0	0	111.8	L571 E572 A575 Q579 T602 V603 R604 K605	L571-W610 HydrophobicContact CD2-CZ2 4.28Å; L571-W610 HydrophobicContact CG-CZ2 4.46Å; E572-W610 HydrophobicContact CG-CH2 3.57Å; E572-W610 HydrophobicContact CG-CZ2 3.95Å; E572-W610 HydrophobicContact CG-CZ3 4.04Å; A575-W610 HydrophobicContact CB-CB 4.2Å; A575-W610 HydrophobicContact CB-CD2 4.35Å; A575-W610 HydrophobicContact CB-CG 3.69Å; Q579-W610 PolarHBondContact OE1-O 3.37Å; T602-W610 HydrophobicContact CG2-CE3 4.19Å; V603-W610 CarbonylContact O-C 3.58Å; R604-W610 HydrophobicContact CG-CD2 4.01Å; R604-W610 HydrophobicContact CG-CE3 3.64Å; R604-W610 HydrophobicContact CG-CH2 3.93Å; R604-W610 HydrophobicContact CG-CZ2 4.23Å; R604-W610 HydrophobicContact CG-CZ3 3.61Å; K605-W610 WeakPolarHBondContact CE-O 3.3Å; K605-W610 PolarHBondContact NZ-O 2.69Å
611	R	83.7	Confident	87.1	Confident	145 Å²	145	72.1 Å²	72.1	55%	0.547	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	117.2	168.6	176.2	-178	-83.9	164.3	-7.3	108.2	V603 K605	V603-R611 PolarHBondContact N-O 2.94Å; V603-R611 WeakPolarHBondContact O-CB 3.23Å; V603-R611 PolarHBondContact O-N 3.38Å; K605-R611 HydrophobicContact CG-CB 4.03Å
612	F	90.1	Very high	87.2	Confident	27 Å²	27	71.8 Å²	71.8	12%	0.118	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	127.6	167.8	-154.8	-90.2	0	0	0	110.9	I576 Q579 V580 M583 V600 V614 F670	I576-F612 HydrophobicContact CG2-CE2 4.23Å; Q579-F612 HydrophobicContact CB-CD2 4Å; V580-F612 HydrophobicContact CG2-CE2 3.76Å; V580-F612 HydrophobicContact CG2-CZ 3.96Å; M583-F612 HydrophobicContact CE-CD1 3.82Å; M583-F612 HydrophobicContact CE-CD2 3.9Å; M583-F612 HydrophobicContact CE-CE1 3.86Å; M583-F612 HydrophobicContact CE-CE2 3.94Å; M583-F612 HydrophobicContact CE-CG 3.83Å; M583-F612 HydrophobicContact CE-CZ 3.91Å; V600-F612 HydrophobicContact CB-CZ 4.27Å; V600-F612 HydrophobicContact CG1-CD1 4.3Å; V600-F612 HydrophobicContact CG1-CD2 4Å; V600-F612 HydrophobicContact CG1-CE1 4.03Å; V600-F612 HydrophobicContact CG1-CE2 3.72Å; V600-F612 HydrophobicContact CG1-CG 4.28Å; V600-F612 HydrophobicContact CG1-CZ 3.74Å; V600-F612 HydrophobicContact CG2-CE1 3.82Å; V600-F612 HydrophobicContact CG2-CE2 4.15Å; V600-F612 HydrophobicContact CG2-CZ 3.44Å; V600-F612 VanDerWaalsContact CG2-CZ 3.44Å; F612-V614 HydrophobicContact CD1-CG2 4.34Å; F612-V614 HydrophobicContact CE1-CG2 3.83Å; F612-F670 HydrophobicContact CE1-CD2 4.15Å; F612-F670 AromaticContact CE1-CE2 3.89Å; F612-F670 HydrophobicContact CE1-CE2 3.89Å; F612-F670 HydrophobicContact CE1-CZ 4.07Å; F612-F670 AromaticContact CZ-CD2 3.92Å; F612-F670 HydrophobicContact CZ-CD2 3.92Å; F612-F670 AromaticContact CZ-CE2 3.46Å; F612-F670 HydrophobicContact CZ-CE2 3.46Å; F612-F670 VanDerWaalsContact CZ-CE2 3.46Å; F612-F670 AromaticContact CZ-CZ 3.96Å; F612-F670 HydrophobicContact CZ-CZ 3.96Å
613	C	90.4	Very high	87.7	Confident	46 Å²	46	71.5 Å²	71.5	31%	0.311	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	134.5	173.6	-75.1	0	0	0	0	109.4	V600 V601	V600-C613 CarbonylContact C-O 3.48Å; V600-C613 WeakPolarHBondContact CA-O 3.46Å; V601-C613 PolarHBondContact N-O 3.09Å; V601-C613 WeakPolarHBondContact O-CB 3.45Å; V601-C613 PolarHBondContact O-N 2.95Å
614	V	94.2	Very high	88.1	Confident	15 Å²	15	72 Å²	72	9%	0.091	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	135.9	175.5	177.5	0	0	0	0	109.7	F598 V600 F612 Y616 F670 F679	F598-V614 HydrophobicContact CB-CG1 3.54Å; V600-V614 HydrophobicContact CG2-CG2 4.33Å; F612-V614 HydrophobicContact CD1-CG2 4.34Å; F612-V614 HydrophobicContact CE1-CG2 3.83Å; V614-Y616 VanDerWaalsContact C-N 3.26Å; V614-Y616 HydrophobicContact CB-CD2 4.06Å; V614-Y616 HydrophobicContact CB-CE1 4.25Å; V614-Y616 HydrophobicContact CB-CE2 3.61Å; V614-Y616 HydrophobicContact CG1-CD1 3.88Å; V614-Y616 HydrophobicContact CG1-CD2 4.15Å; V614-Y616 HydrophobicContact CG1-CE1 3.5Å; V614-Y616 VanDerWaalsContact CG1-CE1 3.5Å; V614-Y616 HydrophobicContact CG1-CE2 3.81Å; V614-Y616 HydrophobicContact CG1-CG 4.18Å; V614-Y616 VanDerWaalsContact CG1-CZ 3.45Å; V614-Y616 HydrophobicContact CG2-CE2 4.44Å; V614-Y616 PolarHBondContact O-N 3Å; V614-F670 HydrophobicContact CB-CB 4.4Å; V614-F670 HydrophobicContact CG1-CB 3.74Å; V614-F670 HydrophobicContact CG2-CB 3.68Å; V614-F670 HydrophobicContact CG2-CD1 4.18Å; V614-F670 HydrophobicContact CG2-CD2 4.48Å; V614-F670 HydrophobicContact CG2-CG 3.87Å; V614-F679 HydrophobicContact CG2-CE2 4.13Å
615	D	92.8	Very high	88.4	Confident	22 Å²	22	72.1 Å²	72.1	12%	0.118	36%	0.356	C	S	.	.			trans	-79.3	70.8	-179.4	-170.4	9.4	0	0	0	113.1	Y566 P599 V601 R617	Y566-D615 PolarHBondContact OH-OD2 3.16Å; P599-D615 HydrophobicContact CG-CB 4.03Å; P599-D615 PolarHBondContact O-N 3.11Å; V601-D615 HydrophobicContact CG2-CB 4.45Å; D615-R617 PolarHBondContact O-N 3.28Å; D615-R617 VanDerWaalsContact O-N 3.1Å; D615-R617 WeakPolarHBondContact OD1-CB 3.06Å; D615-R617 WeakPolarHBondContact OD1-CD 3.45Å; D615-R617 WeakPolarHBondContact OD1-CG 3.48Å; D615-R617 IonicContact OD1-CZ 2.68Å; D615-R617 PolarHBondContact OD1-N 3.48Å; D615-R617 IonicContact OD1-NE 3.81Å; D615-R617 PolarHBondContact OD1-NE 2.79Å; D615-R617 IonicContact OD1-NH2 2.69Å; D615-R617 IonicContact OD2-CZ 3.14Å; D615-R617 IonicContact OD2-NE 2.75Å; D615-R617 PolarHBondContact OD2-NE 2.93Å; D615-R617 IonicContact OD2-NH2 2.76Å; D615-R617 PolarHBondContact OD2-NH2 2.82Å
616	Y	96.1	Very high	88.8	Confident	3 Å²	3	70.6 Å²	70.6	1%	0.012	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	9.7	173.7	-64	-56.2	0	0	0	114.2	F598 V614 K618 L619 N620 T668 F679 P683 L686	F598-Y616 HydrophobicContact CB-CD1 4.16Å; F598-Y616 HydrophobicContact CB-CE1 4.24Å; F598-Y616 AromaticContact CD2-CD1 3.77Å; F598-Y616 HydrophobicContact CD2-CD1 3.77Å; F598-Y616 AromaticContact CD2-CE1 3.83Å; F598-Y616 HydrophobicContact CD2-CE1 3.83Å; F598-Y616 HydrophobicContact CE2-CD1 4.41Å; F598-Y616 AromaticContact CG-CD1 3.92Å; F598-Y616 HydrophobicContact CG-CD1 3.92Å; F598-Y616 HydrophobicContact CG-CE1 4.23Å; V614-Y616 VanDerWaalsContact C-N 3.26Å; V614-Y616 HydrophobicContact CB-CD2 4.06Å; V614-Y616 HydrophobicContact CB-CE1 4.25Å; V614-Y616 HydrophobicContact CB-CE2 3.61Å; V614-Y616 HydrophobicContact CG1-CD1 3.88Å; V614-Y616 HydrophobicContact CG1-CD2 4.15Å; V614-Y616 HydrophobicContact CG1-CE1 3.5Å; V614-Y616 VanDerWaalsContact CG1-CE1 3.5Å; V614-Y616 HydrophobicContact CG1-CE2 3.81Å; V614-Y616 HydrophobicContact CG1-CG 4.18Å; V614-Y616 VanDerWaalsContact CG1-CZ 3.45Å; V614-Y616 HydrophobicContact CG2-CE2 4.44Å; V614-Y616 PolarHBondContact O-N 3Å; Y616-K618 PolarHBondContact O-N 2.68Å; Y616-K618 VanDerWaalsContact O-N 3.13Å; Y616-L619 HydrophobicContact CD1-CB 4.27Å; Y616-L619 HydrophobicContact CD1-CD2 3.64Å; Y616-L619 HydrophobicContact CE1-CD2 4.17Å; Y616-L619 HydrophobicContact CG-CD2 4.3Å; Y616-L619 PolarHBondContact O-N 2.77Å; Y616-N620 VanDerWaalsContact O-CB 3.31Å; Y616-N620 WeakPolarHBondContact O-CB 3.48Å; Y616-N620 PolarHBondContact O-N 3.11Å; Y616-N620 PolarHBondContact O-ND2 2.75Å; Y616-T668 WeakPolarHBondContact CE1-O 3.17Å; Y616-T668 PolarHBondContact OH-O 3.25Å; Y616-F679 VanDerWaalsContact OH-CD2 3.32Å; Y616-F679 WeakPolarHBondContact OH-CD2 3.41Å; Y616-F679 WeakPolarHBondContact OH-CE2 3.37Å; Y616-P683 HydrophobicContact CE2-CB 4.14Å; Y616-P683 HydrophobicContact CE2-CG 3.7Å; Y616-L686 HydrophobicContact CD1-CD2 3.94Å; Y616-L686 HydrophobicContact CD2-CD2 3.61Å; Y616-L686 HydrophobicContact CD2-CG 4.08Å; Y616-L686 HydrophobicContact CE1-CD2 4.21Å; Y616-L686 HydrophobicContact CE2-CD2 3.88Å; Y616-L686 HydrophobicContact CE2-CG 4.19Å; Y616-L686 HydrophobicContact CG-CD2 3.64Å
617	R	92.3	Very high	89	Confident	176 Å²	176	66.1 Å²	66.1	66%	0.664	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-35	-179.8	-73.5	179.9	-64.6	176.5	-1.2	113.1	D615 A621	D615-R617 PolarHBondContact O-N 3.28Å; D615-R617 VanDerWaalsContact O-N 3.1Å; D615-R617 WeakPolarHBondContact OD1-CB 3.06Å; D615-R617 WeakPolarHBondContact OD1-CD 3.45Å; D615-R617 WeakPolarHBondContact OD1-CG 3.48Å; D615-R617 IonicContact OD1-CZ 2.68Å; D615-R617 PolarHBondContact OD1-N 3.48Å; D615-R617 IonicContact OD1-NE 3.81Å; D615-R617 PolarHBondContact OD1-NE 2.79Å; D615-R617 IonicContact OD1-NH2 2.69Å; D615-R617 IonicContact OD2-CZ 3.14Å; D615-R617 IonicContact OD2-NE 2.75Å; D615-R617 PolarHBondContact OD2-NE 2.93Å; D615-R617 IonicContact OD2-NH2 2.76Å; D615-R617 PolarHBondContact OD2-NH2 2.82Å; R617-A621 PolarHBondContact O-N 3.37Å
618	K	93.3	Very high	89	Confident	113 Å²	113	64.2 Å²	64.2	49%	0.491	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-42.2	175	-73.3	-175.7	-174.6	177.3	0	112.9	I561 C563 F598 Y616 A621	I561-K618 HydrophobicContact CD1-CB 4.22Å; I561-K618 HydrophobicContact CG2-CB 4.18Å; I561-K618 HydrophobicContact CG2-CD 3.8Å; C563-K618 PolarHBondContact SG-NZ 3.34Å; F598-K618 HydrophobicContact CD1-CB 4.47Å; F598-K618 HydrophobicContact CE1-CB 3.89Å; Y616-K618 PolarHBondContact O-N 2.68Å; Y616-K618 VanDerWaalsContact O-N 3.13Å; K618-A621 WeakPolarHBondContact O-CB 3.5Å; K618-A621 PolarHBondContact O-N 3.41Å
619	L	96.2	Very high	88.8	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-58.5	-50.6	174.4	-175.9	59.5	0	0	0	110.4	I553 T555 W596 F598 Y616 A621 V622 T623 K667 L686	I553-L619 HydrophobicContact CG2-CD1 4.22Å; I553-L619 HydrophobicContact CG2-CD2 4.31Å; I553-L619 HydrophobicContact CG2-CG 4.36Å; T555-L619 HydrophobicContact CG2-CD1 4.2Å; W596-L619 HydrophobicContact CE3-CD1 4.18Å; W596-L619 HydrophobicContact CH2-CD1 4.45Å; W596-L619 HydrophobicContact CZ3-CD1 3.88Å; F598-L619 HydrophobicContact CE1-CB 3.97Å; F598-L619 HydrophobicContact CE2-CB 3.96Å; F598-L619 HydrophobicContact CE2-CD1 4.23Å; F598-L619 HydrophobicContact CE2-CD2 4.15Å; F598-L619 HydrophobicContact CE2-CG 4.35Å; F598-L619 HydrophobicContact CZ-CB 3.57Å; F598-L619 HydrophobicContact CZ-CD1 4.12Å; F598-L619 HydrophobicContact CZ-CG 4.28Å; Y616-L619 HydrophobicContact CD1-CB 4.27Å; Y616-L619 HydrophobicContact CD1-CD2 3.64Å; Y616-L619 HydrophobicContact CE1-CD2 4.17Å; Y616-L619 HydrophobicContact CG-CD2 4.3Å; Y616-L619 PolarHBondContact O-N 2.77Å; L619-A621 PolarHBondContact O-N 2.79Å; L619-V622 CarbonylContact O-C 3.6Å; L619-V622 WeakPolarHBondContact O-CG2 3.22Å; L619-V622 PolarHBondContact O-N 2.91Å; L619-T623 PolarHBondContact O-N 2.69Å; L619-T623 PolarHBondContact O-OG1 3.44Å; L619-K667 HydrophobicContact CD1-CB 4.4Å; L619-K667 WeakPolarHBondContact CD2-O 3.18Å; L619-L686 HydrophobicContact CD2-CD2 3.56Å
620	N	94.5	Very high	88.2	Confident	25 Å²	25	67.6 Å²	67.6	13%	0.134	34%	0.341	C	S	.	.	H	α-helix	trans	-60.2	-15	178.3	-66.8	-17.7	0	0	0	114.3	Y616 R625 G685 A687	Y616-N620 VanDerWaalsContact O-CB 3.31Å; Y616-N620 WeakPolarHBondContact O-CB 3.48Å; Y616-N620 PolarHBondContact O-N 3.11Å; Y616-N620 PolarHBondContact O-ND2 2.75Å; N620-R625 PolarHBondContact O-NE 3.21Å; N620-R625 PolarHBondContact O-NH2 3.42Å; N620-G685 PolarHBondContact ND2-O 3.13Å; N620-A687 HydrophobicContact CB-CB 3.97Å; N620-A687 WeakPolarHBondContact OD1-CB 3.14Å; N620-A687 PolarHBondContact OD1-N 3.04Å
621	A	92.2	Very high	87.6	Confident	82 Å²	82	67.6 Å²	67.6	68%	0.678	35%	0.347	S	S	*	.	H	α-helix	trans	-84.4	-22	173.9	0	0	0	0	0	112.9	R617 K618 L619	R617-A621 PolarHBondContact O-N 3.37Å; K618-A621 WeakPolarHBondContact O-CB 3.5Å; K618-A621 PolarHBondContact O-N 3.41Å; L619-A621 PolarHBondContact O-N 2.79Å
622	V	93.3	Very high	87.1	Confident	48 Å²	48	69 Å²	69	29%	0.291	35%	0.352	S	S	.	.	H	α-helix	trans	-107.2	-16.7	175.6	-62.3	0	0	0	0	113.5	T555 A558 I561 W596 L619 V624	T555-V622 HydrophobicContact CG2-CG2 4.22Å; A558-V622 HydrophobicContact CB-CB 3.89Å; A558-V622 HydrophobicContact CB-CG1 4.13Å; A558-V622 HydrophobicContact CB-CG2 4.35Å; I561-V622 HydrophobicContact CD1-CG1 4.19Å; I561-V622 HydrophobicContact CD1-CG2 3.96Å; W596-V622 HydrophobicContact CH2-CG2 4.36Å; W596-V622 HydrophobicContact CZ3-CG2 4.36Å; L619-V622 CarbonylContact O-C 3.6Å; L619-V622 WeakPolarHBondContact O-CG2 3.22Å; L619-V622 PolarHBondContact O-N 2.91Å; V622-V624 PolarHBondContact O-N 2.93Å
623	T	94.1	Very high	86.5	Confident	11 Å²	11	69.9 Å²	69.9	7%	0.067	36%	0.358	C	S	.	.	S	Bend	trans	-66.2	124.7	173.4	-48.7	0	0	0	0	111.6	I553 S554 L619 R625	I553-T623 HydrophobicContact CG2-CG2 4.05Å; S554-T623 CarbonylContact O-C 3.46Å; S554-T623 WeakPolarHBondContact O-CA 3.48Å; L619-T623 PolarHBondContact O-N 2.69Å; L619-T623 PolarHBondContact O-OG1 3.44Å; T623-R625 PolarHBondContact O-N 2.89Å
624	V	91.4	Very high	85.7	Confident	85 Å²	85	70.9 Å²	70.9	52%	0.515	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-62.1	126.8	171.6	-178	0	0	0	0	109	S554 V622 N688	S554-V624 PolarHBondContact O-N 2.89Å; V622-V624 PolarHBondContact O-N 2.93Å; V624-N688 PolarHBondContact O-ND2 2.85Å
625	R	89.6	Confident	84.9	Confident	151 Å²	151	73.1 Å²	73.1	57%	0.57	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-79.8	125.3	-169.9	-62	-54.2	-174.5	108.4	-2	112.9	N620 T623	N620-R625 PolarHBondContact O-NE 3.21Å; N620-R625 PolarHBondContact O-NH2 3.42Å; T623-R625 PolarHBondContact O-N 2.89Å
626	D	84.8	Confident	84.4	Confident	49 Å²	49	72.1 Å²	72.1	26%	0.262	37%	0.366	S	S	.	.			trans	-88.6	106.1	173.8	-178.9	12.2	0	0	0	109.8	Y628 N688 A691 R695	D626-Y628 PolarHBondContact O-N 3.38Å; D626-N688 HydrophobicContact CB-CB 3.9Å; D626-N688 PolarHBondContact N-OD1 3.3Å; D626-A691 HydrophobicContact CB-CB 4.11Å; D626-A691 WeakPolarHBondContact O-CB 3.35Å; D626-A691 WeakPolarHBondContact OD2-CB 3.32Å; D626-R695 VanDerWaalsContact CG-NH2 3.29Å; D626-R695 IonicContact OD1-CZ 2.66Å; D626-R695 IonicContact OD1-NH1 3.81Å; D626-R695 IonicContact OD1-NH2 2.68Å; D626-R695 PolarHBondContact OD1-NH2 2.82Å; D626-R695 IonicContact OD2-CZ 2.93Å; D626-R695 IonicContact OD2-NH1 2.63Å; D626-R695 PolarHBondContact OD2-NH1 3.41Å; D626-R695 IonicContact OD2-NH2 2.8Å; D626-R695 PolarHBondContact OD2-NH2 2.9Å
627	V	77.7	Confident	83.8	Confident	134 Å²	134	72 Å²	72	81%	0.812	37%	0.366	S	S	*	.			trans	-94.6	69.9	-178	-170.2	0	0	0	0	109.7
628	Y	79.5	Confident	83.2	Confident	65 Å²	65	66 Å²	66	26%	0.255	35%	0.347	S	S	.	.			trans	-74.1	133.2	169.6	-172.1	-94.4	0	0	0	110.1	D626 L630 R695 S698	D626-Y628 PolarHBondContact O-N 3.38Å; Y628-L630 PolarHBondContact O-N 3.1Å; Y628-R695 HydrophobicContact CD2-CB 4.02Å; Y628-R695 HydrophobicContact CD2-CG 4.4Å; Y628-R695 HydrophobicContact CE2-CB 3.83Å; Y628-R695 HydrophobicContact CE2-CG 4.03Å; Y628-S698 WeakPolarHBondContact OH-CB 3.29Å; Y628-S698 PolarHBondContact OH-OG 2.64Å
629	P	71.4	Confident	82.7	Confident	100 Å²	100	66.6 Å²	66.6	65%	0.649	35%	0.346	S	S	*	.			trans	-69.9	115.6	-179.4	28	-34	0	0	0	111.1
630	L	71.4	Confident	82.3	Confident	74 Å²	74	66.6 Å²	66.6	39%	0.387	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-76.8	138.2	158.7	-64.1	176.1	0	0	0	108.3	Y628 S694 Y712 L713	Y628-L630 PolarHBondContact O-N 3.1Å; L630-S694 VanDerWaalsContact CD2-OG 3.29Å; L630-S694 WeakPolarHBondContact CD2-OG 3.45Å; L630-Y712 HydrophobicContact CB-CE2 4.46Å; L630-L713 HydrophobicContact CD2-CD2 4.18Å; L630-L713 HydrophobicContact CD2-CG 4.37Å
631	P	70.5	Confident	81.8	Confident	48 Å²	48	66.7 Å²	66.7	31%	0.312	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-64.8	151.1	173.5	31.5	-36.1	0	0	0	109.5	V636 Y712	P631-V636 HydrophobicContact CB-CG2 3.81Å; P631-V636 HydrophobicContact CG-CG2 3.76Å; P631-Y712 HydrophobicContact CG-CD2 4Å; P631-Y712 HydrophobicContact CG-CE2 4.36Å
632	R	73.1	Confident	81.3	Confident	176 Å²	176	64.9 Å²	64.9	66%	0.664	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-69	150.8	175.4	-54	175.5	165.1	-160.2	-3.1	109.1	D634 D635 V636	R632-D634 PolarHBondContact O-N 2.69Å; R632-D635 HydrophobicContact CB-CB 4.28Å; R632-D635 VanDerWaalsContact CB-CG 3.49Å; R632-D635 VanDerWaalsContact CB-OD2 3.31Å; R632-D635 WeakPolarHBondContact CB-OD2 3.1Å; R632-D635 WeakPolarHBondContact CD-OD1 3.37Å; R632-D635 WeakPolarHBondContact CD-OD2 3.39Å; R632-D635 VanDerWaalsContact CG-OD2 3.28Å; R632-D635 WeakPolarHBondContact CG-OD2 3.21Å; R632-D635 PolarHBondContact N-OD2 3.02Å; R632-D635 PolarHBondContact O-N 2.94Å; R632-V636 WeakPolarHBondContact O-CG2 3.23Å; R632-V636 PolarHBondContact O-N 3.3Å; R632-V636 VanDerWaalsContact O-N 3.16Å
633	I	77.2	Confident	81.2	Confident	44 Å²	44	62.9 Å²	62.9	23%	0.226	33%	0.33	C	S	.	.	H	α-helix	trans	-63.8	-36.1	177.4	-57.4	175.9	0	0	0	109.7	V636 L637 L759 Y761	I633-V636 PolarHBondContact O-N 2.87Å; I633-L637 HydrophobicContact CG2-CD1 3.91Å; I633-L637 HydrophobicContact CG2-CG 4.22Å; I633-L637 VanDerWaalsContact O-CG 3.28Å; I633-L637 WeakPolarHBondContact O-CG 3.44Å; I633-L637 PolarHBondContact O-N 2.91Å; I633-L759 HydrophobicContact CG1-CD1 4.44Å; I633-L759 HydrophobicContact CG2-CB 4Å; I633-L759 HydrophobicContact CG2-CD1 4.24Å; I633-Y761 HydrophobicContact CG2-CD2 4.4Å; I633-Y761 HydrophobicContact CG2-CE2 3.86Å
634	D	74.1	Confident	81	Confident	68 Å²	68	68.1 Å²	68.1	36%	0.364	35%	0.352	S	S	.	.	H	α-helix	trans	-61	-56.5	174.8	-44.7	-70.6	0	0	0	111	R632 V636 L637 D638 R802	R632-D634 PolarHBondContact O-N 2.69Å; D634-V636 PolarHBondContact O-N 3.49Å; D634-L637 PolarHBondContact O-N 3.32Å; D634-L637 VanDerWaalsContact O-N 3.07Å; D634-D638 VanDerWaalsContact O-CG 3.3Å; D634-D638 PolarHBondContact O-N 3.04Å; D634-R802 IonicContact OD1-CZ 2.77Å; D634-R802 IonicContact OD1-NH2 2.66Å; D634-R802 PolarHBondContact OD1-NH2 2.81Å
635	D	77	Confident	81.1	Confident	61 Å²	61	65.5 Å²	65.5	33%	0.326	33%	0.333	S	S	.	.	H	α-helix	trans	-58	-13.4	176.1	-39.6	-17.1	0	0	0	114.8	R632 R639	R632-D635 HydrophobicContact CB-CB 4.28Å; R632-D635 VanDerWaalsContact CB-CG 3.49Å; R632-D635 VanDerWaalsContact CB-OD2 3.31Å; R632-D635 WeakPolarHBondContact CB-OD2 3.1Å; R632-D635 WeakPolarHBondContact CD-OD1 3.37Å; R632-D635 WeakPolarHBondContact CD-OD2 3.39Å; R632-D635 VanDerWaalsContact CG-OD2 3.28Å; R632-D635 WeakPolarHBondContact CG-OD2 3.21Å; R632-D635 PolarHBondContact N-OD2 3.02Å; R632-D635 PolarHBondContact O-N 2.94Å; D635-R639 WeakPolarHBondContact O-CD 3.46Å; D635-R639 WeakPolarHBondContact O-CG 3.26Å; D635-R639 PolarHBondContact O-NE 2.79Å
636	V	82.2	Confident	81.4	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.006	31%	0.306	C	S	.	.	H	α-helix	trans	-95.5	-44.2	177	161.9	0	0	0	0	111	P631 R632 I633 D634 R639 I710 Y758 L759	P631-V636 HydrophobicContact CB-CG2 3.81Å; P631-V636 HydrophobicContact CG-CG2 3.76Å; R632-V636 WeakPolarHBondContact O-CG2 3.23Å; R632-V636 PolarHBondContact O-N 3.3Å; R632-V636 VanDerWaalsContact O-N 3.16Å; I633-V636 PolarHBondContact O-N 2.87Å; D634-V636 PolarHBondContact O-N 3.49Å; V636-R639 PolarHBondContact O-N 2.86Å; V636-I710 HydrophobicContact CG1-CD1 4.05Å; V636-I710 HydrophobicContact CG1-CG2 3.94Å; V636-I710 HydrophobicContact CG2-CG2 4.11Å; V636-Y758 HydrophobicContact CG1-CD1 4.3Å; V636-Y758 HydrophobicContact CG1-CE1 3.6Å; V636-L759 HydrophobicContact CB-CD1 4.21Å; V636-L759 HydrophobicContact CG1-CD1 3.59Å
637	L	83.2	Confident	81.8	Confident	1 Å²	1	56 Å²	56	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-63.4	-42.3	176.4	-71.8	169.5	0	0	0	111.2	I633 D634 R639 L640 Y761 V763 V768	I633-L637 HydrophobicContact CG2-CD1 3.91Å; I633-L637 HydrophobicContact CG2-CG 4.22Å; I633-L637 VanDerWaalsContact O-CG 3.28Å; I633-L637 WeakPolarHBondContact O-CG 3.44Å; I633-L637 PolarHBondContact O-N 2.91Å; D634-L637 PolarHBondContact O-N 3.32Å; D634-L637 VanDerWaalsContact O-N 3.07Å; L637-R639 PolarHBondContact O-N 2.83Å; L637-R639 VanDerWaalsContact O-N 3.12Å; L637-L640 HydrophobicContact CD2-CD1 4.4Å; L637-L640 WeakPolarHBondContact O-CB 3.25Å; L637-L640 PolarHBondContact O-N 2.99Å; L637-Y761 HydrophobicContact CD1-CD2 3.95Å; L637-Y761 HydrophobicContact CD1-CE2 4.01Å; L637-Y761 HydrophobicContact CD1-CG 4.32Å; L637-Y761 HydrophobicContact CD2-CD2 4.38Å; L637-V763 HydrophobicContact CD2-CG2 3.8Å; L637-V768 HydrophobicContact CB-CG2 4.21Å; L637-V768 HydrophobicContact CD1-CG1 4.12Å; L637-V768 HydrophobicContact CD2-CG1 3.9Å; L637-V768 HydrophobicContact CD2-CG2 4.03Å
638	D	81.4	Confident	82.6	Confident	49 Å²	49	51.4 Å²	51.4	26%	0.262	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-57.4	-29.1	179.3	-66.7	-25.8	0	0	0	112.8	D634 L640 Y915	D634-D638 VanDerWaalsContact O-CG 3.3Å; D634-D638 PolarHBondContact O-N 3.04Å; D638-L640 VanDerWaalsContact C-N 3.3Å; D638-L640 PolarHBondContact O-N 3.22Å; D638-Y915 VanDerWaalsContact CG-OH 3.26Å; D638-Y915 PolarHBondContact OD1-OH 3.36Å; D638-Y915 WeakPolarHBondContact OD2-CE1 3.39Å; D638-Y915 PolarHBondContact OD2-OH 3.03Å
639	R	82.6	Confident	83.2	Confident	127 Å²	127	48.3 Å²	48.3	48%	0.479	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-75.4	-15.6	179.3	-63	175.6	-165.5	-138.2	-4.8	114.1	D635 V636 L637 G641 I710 H719	D635-R639 WeakPolarHBondContact O-CD 3.46Å; D635-R639 WeakPolarHBondContact O-CG 3.26Å; D635-R639 PolarHBondContact O-NE 2.79Å; V636-R639 PolarHBondContact O-N 2.86Å; L637-R639 PolarHBondContact O-N 2.83Å; L637-R639 VanDerWaalsContact O-N 3.12Å; R639-G641 VanDerWaalsContact C-N 3.26Å; R639-I710 HydrophobicContact CB-CD1 3.89Å; R639-H719 PolarHBondContact O-CE1 2.82Å
640	L	87.2	Confident	84	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-80.7	-11.9	-178.1	-57.8	178.1	0	0	0	111.8	L637 D638 S643 F646 I710 L717 H719 Y758 V763	L637-L640 HydrophobicContact CD2-CD1 4.4Å; L637-L640 WeakPolarHBondContact O-CB 3.25Å; L637-L640 PolarHBondContact O-N 2.99Å; D638-L640 VanDerWaalsContact C-N 3.3Å; D638-L640 PolarHBondContact O-N 3.22Å; L640-S643 WeakPolarHBondContact O-CB 3.32Å; L640-S643 PolarHBondContact O-N 3.06Å; L640-S643 VanDerWaalsContact O-N 3.13Å; L640-S643 PolarHBondContact O-OG 2.77Å; L640-F646 HydrophobicContact CB-CE1 4.35Å; L640-F646 HydrophobicContact CD2-CE1 4.38Å; L640-I710 HydrophobicContact CD2-CD1 3.75Å; L640-I710 HydrophobicContact CG-CD1 4.41Å; L640-L717 HydrophobicContact CD1-CD2 3.91Å; L640-L717 HydrophobicContact CD2-CD2 3.7Å; L640-L717 HydrophobicContact CG-CD2 4.5Å; L640-H719 HydrophobicContact CD2-CB 3.92Å; L640-Y758 HydrophobicContact CD1-CD1 4.32Å; L640-V763 HydrophobicContact CB-CG1 4.05Å; L640-V763 HydrophobicContact CD1-CB 4.27Å; L640-V763 HydrophobicContact CD1-CG1 3.81Å; L640-V763 HydrophobicContact CD1-CG2 4.02Å
641	G	83.1	Confident	84.8	Confident	26 Å²	26	40.6 Å²	40.6	27%	0.268	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	137.7	176	0	0	0	0	0	113.8	R639 S643	R639-G641 VanDerWaalsContact C-N 3.26Å; G641-S643 PolarHBondContact O-N 2.83Å
642	G	83.5	Confident	85.4	Confident	45 Å²	45	40.4 Å²	40.4	46%	0.464	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.7	-5.4	-177.2	0	0	0	0	0	115.3
643	S	90.1	Very high	85.5	Confident	6 Å²	6	34.4 Å²	34.4	4%	0.042	18%	0.182	C	C	.	.			trans	-83.4	140.6	177.5	-49.3	0	0	0	0	111.5	L640 G641 H719 T720 A765	L640-S643 WeakPolarHBondContact O-CB 3.32Å; L640-S643 PolarHBondContact O-N 3.06Å; L640-S643 VanDerWaalsContact O-N 3.13Å; L640-S643 PolarHBondContact O-OG 2.77Å; G641-S643 PolarHBondContact O-N 2.83Å; S643-H719 PolarHBondContact OG-ND1 2.99Å; S643-T720 CarbonylContact C-O 3.56Å; S643-T720 WeakPolarHBondContact CA-O 3.44Å; S643-A765 VanDerWaalsContact O-CA 3.31Å; S643-A765 WeakPolarHBondContact O-CA 3.3Å
644	K	90.9	Very high	85.4	Confident	120 Å²	120	32.4 Å²	32.4	52%	0.522	17%	0.172	S	C	.	.			trans	-119.6	-16	175.3	-57.5	-174.5	-172.4	170	0	113.9	T720 P721 H754 A765	K644-T720 PolarHBondContact N-O 3.2Å; K644-P721 WeakPolarHBondContact CB-O 3.13Å; K644-P721 WeakPolarHBondContact CD-O 3.31Å; K644-P721 WeakPolarHBondContact CG-O 3.49Å; K644-H754 WeakPolarHBondContact O-CA 3.49Å; K644-H754 PolarHBondContact O-ND1 3.47Å; K644-A765 HydrophobicContact CB-CB 4.46Å; K644-A765 HydrophobicContact CG-CB 4.01Å
645	Y	93.6	Very high	85.8	Confident	31 Å²	31	30.2 Å²	30.2	12%	0.122	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	133.3	178.2	-69.7	-90.4	0	0	0	109.4	L517 E521 H719 T720 Y723 H726 H754	L517-Y645 HydrophobicContact CD2-CD1 4.49Å; L517-Y645 HydrophobicContact CD2-CE1 4.12Å; E521-Y645 PolarHBondContact OE1-OH 2.91Å; Y645-H719 VanDerWaalsContact O-CA 3.3Å; Y645-H719 WeakPolarHBondContact O-CA 3.18Å; Y645-T720 PolarHBondContact N-O 2.93Å; Y645-T720 PolarHBondContact O-N 3.1Å; Y645-Y723 HydrophobicContact CE1-CD2 4.3Å; Y645-Y723 VanDerWaalsContact CE2-N 3.32Å; Y645-H726 VanDerWaalsContact C-CE1 3.44Å; Y645-H726 VanDerWaalsContact CB-CG 3.49Å; Y645-H726 HydrophobicContact CG-CB 4.37Å; Y645-H726 PolarHBondContact O-CE1 3.08Å; Y645-H726 VanDerWaalsContact O-CE1 3.28Å; Y645-H726 PolarHBondContact O-ND1 2.94Å; Y645-H754 AromaticContact CD1-CE1 3.96Å; Y645-H754 AromaticContact CD1-ND1 3.99Å; Y645-H754 AromaticContact CE1-CE1 3.4Å; Y645-H754 WeakPolarHBondContact CE1-CE1 3.31Å; Y645-H754 AromaticContact CE1-ND1 3.9Å; Y645-H754 AromaticContact CZ-CE1 3.53Å
646	F	94	Very high	86.1	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	141.8	-177.5	-58.9	-81.6	0	0	0	110.3	L640 L717 I718 H719 H726 G752 T753 H754 T756 V763	L640-F646 HydrophobicContact CB-CE1 4.35Å; L640-F646 HydrophobicContact CD2-CE1 4.38Å; F646-L717 HydrophobicContact CB-CD1 4.15Å; F646-L717 HydrophobicContact CD1-CD1 4.27Å; F646-I718 CarbonylContact C-O 3.49Å; F646-I718 VanDerWaalsContact CA-O 3.3Å; F646-I718 WeakPolarHBondContact CA-O 3.34Å; F646-H719 HydrophobicContact CD1-CB 3.65Å; F646-H719 HydrophobicContact CE1-CB 3.75Å; F646-H726 VanDerWaalsContact C-CE1 3.41Å; F646-H726 PolarHBondContact O-NE2 3.22Å; F646-G752 CarbonylContact O-C 3.59Å; F646-G752 WeakPolarHBondContact O-CA 3.43Å; F646-G752 PolarHBondContact O-N 3.44Å; F646-G752 VanDerWaalsContact O-N 3.11Å; F646-T753 HydrophobicContact CB-CG2 4.19Å; F646-T753 PolarHBondContact N-O 3.44Å; F646-T753 PolarHBondContact O-N 3.15Å; F646-H754 WeakPolarHBondContact CD2-O 3.24Å; F646-H754 WeakPolarHBondContact CE2-O 3.31Å; F646-T756 HydrophobicContact CB-CG2 3.76Å; F646-T756 HydrophobicContact CD1-CG2 4.02Å; F646-T756 HydrophobicContact CD2-CG2 4.39Å; F646-T756 HydrophobicContact CG-CG2 3.79Å; F646-V763 HydrophobicContact CE1-CG1 4.45Å; F646-V763 HydrophobicContact CZ-CG1 4.26Å
647	S	94.8	Very high	86.2	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	120	169.8	-73.6	0	0	0	0	109.4	L717 I718 H726 V750 L751 G752	S647-L717 WeakPolarHBondContact O-CA 3.14Å; S647-I718 PolarHBondContact N-O 2.91Å; S647-I718 PolarHBondContact O-N 3.17Å; S647-H726 PolarHBondContact N-CE1 3.49Å; S647-H726 PolarHBondContact N-NE2 3.38Å; S647-H726 PolarHBondContact OG-NE2 2.87Å; S647-V750 CarbonylContact C-O 3.53Å; S647-V750 WeakPolarHBondContact CA-O 3.4Å; S647-L751 WeakPolarHBondContact OG-CA 3.33Å; S647-G752 PolarHBondContact OG-N 3.28Å
648	K	93.2	Very high	86.4	Confident	37 Å²	37	30.3 Å²	30.3	16%	0.161	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	128.7	175.3	-175.2	177.2	-178.5	175.8	0	109.8	D715 I716 C749 V750	K648-D715 WeakPolarHBondContact CE-OD1 3.37Å; K648-D715 VanDerWaalsContact CE-OD2 3.31Å; K648-D715 WeakPolarHBondContact CE-OD2 3.4Å; K648-D715 IonicContact NZ-OD1 3.46Å; K648-D715 PolarHBondContact NZ-OD1 2.88Å; K648-D715 IonicContact NZ-OD2 3.43Å; K648-D715 PolarHBondContact NZ-OD2 2.85Å; K648-I716 CarbonylContact C-O 3.54Å; K648-I716 WeakPolarHBondContact CA-O 3.45Å; K648-C749 CarbonylContact O-C 3.59Å; K648-C749 VanDerWaalsContact O-CA 3.29Å; K648-C749 WeakPolarHBondContact O-CA 3.43Å; K648-V750 PolarHBondContact N-O 3.17Å; K648-V750 PolarHBondContact O-N 2.9Å
649	L	92.1	Very high	86.8	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	129.1	178.3	-47	177.6	0	0	0	110.3	I716 I718 L730 V733 F734 L737 L744 C749 L751	L649-I716 HydrophobicContact CB-CB 4.24Å; L649-I716 PolarHBondContact N-O 2.81Å; L649-I716 PolarHBondContact O-N 3.37Å; L649-I718 HydrophobicContact CD1-CD1 3.78Å; L649-I718 HydrophobicContact CG-CD1 4.36Å; L649-L730 HydrophobicContact CD1-CD1 4.32Å; L649-L730 HydrophobicContact CD2-CD1 4.29Å; L649-V733 HydrophobicContact CD1-CG1 4.13Å; L649-F734 HydrophobicContact CD1-CD1 4.22Å; L649-F734 HydrophobicContact CD1-CE1 3.86Å; L649-F734 HydrophobicContact CD2-CE1 3.89Å; L649-F734 HydrophobicContact CD2-CZ 4.49Å; L649-L737 HydrophobicContact CD1-CD1 4.17Å; L649-L744 HydrophobicContact CB-CD2 3.8Å; L649-L744 HydrophobicContact CD1-CD1 4.26Å; L649-L744 HydrophobicContact CD2-CD1 4.35Å; L649-C749 HydrophobicContact CD2-CB 4.35Å; L649-L751 HydrophobicContact CD2-CD2 3.53Å
650	D	89.8	Confident	87.2	Confident	10 Å²	10	22.6 Å²	22.6	5%	0.053	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	127.5	175.3	-179.7	99.7	0	0	0	109.7	L744 N745 K748 C749	D650-L744 CarbonylContact O-C 3.52Å; D650-L744 WeakPolarHBondContact O-CA 3.35Å; D650-N745 HydrophobicContact CB-CB 4.31Å; D650-N745 PolarHBondContact O-N 2.9Å; D650-N745 VanDerWaalsContact OD2-CB 3.3Å; D650-N745 WeakPolarHBondContact OD2-CB 3.4Å; D650-N745 PolarHBondContact OD2-ND2 3.01Å; D650-K748 HydrophobicContact CB-CB 3.71Å; D650-K748 HydrophobicContact CB-CD 3.85Å; D650-K748 WeakPolarHBondContact OD1-CD 3.38Å; D650-K748 IonicContact OD1-NZ 3.53Å; D650-K748 PolarHBondContact OD1-NZ 3.16Å; D650-K748 VanDerWaalsContact OD2-CD 3.25Å; D650-K748 WeakPolarHBondContact OD2-CD 3.39Å; D650-K748 IonicContact OD2-NZ 3.53Å; D650-K748 PolarHBondContact OD2-NZ 3.19Å; D650-C749 PolarHBondContact N-SG 3.15Å; D650-C749 VanDerWaalsContact N-SG 3.38Å
651	L	87.3	Confident	87.5	Confident	3 Å²	3	25 Å²	25	2%	0.016	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-80	123.7	177.2	-74.9	165.5	0	0	0	111	S653 G654 F693 I697 I716 L737 L742 R743 L744	L651-S653 PolarHBondContact O-N 3.13Å; L651-G654 PolarHBondContact O-N 2.84Å; L651-F693 HydrophobicContact CD1-CE1 4.12Å; L651-F693 HydrophobicContact CD1-CZ 3.73Å; L651-I697 HydrophobicContact CD1-CD1 3.61Å; L651-I697 HydrophobicContact CD1-CG1 4.29Å; L651-I716 HydrophobicContact CD1-CD1 4.07Å; L651-I716 HydrophobicContact CG-CD1 4.29Å; L651-L737 HydrophobicContact CD2-CD2 4.38Å; L651-L742 HydrophobicContact CD2-CB 4.11Å; L651-L742 HydrophobicContact CD2-CD1 4.19Å; L651-R743 WeakPolarHBondContact CD2-O 3.24Å; L651-L744 HydrophobicContact CD2-CD2 4.03Å
652	R	83.8	Confident	87.9	Confident	43 Å²	43	29.2 Å²	29.2	16%	0.162	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	101.8	-174.4	-163.9	172.1	-167.9	158.4	6.3	111.5	I505 F536 G537 G654 Q657 R743 N745	I505-R652 PolarHBondContact O-NH1 3.02Å; I505-R652 PolarHBondContact O-NH2 2.89Å; F536-R652 PolarHBondContact O-NH1 3.44Å; G537-R652 PolarHBondContact O-NH1 3.01Å; R652-G654 VanDerWaalsContact C-N 3.26Å; R652-G654 PolarHBondContact O-N 2.87Å; R652-Q657 PolarHBondContact O-NE2 2.76Å; R652-R743 HydrophobicContact CB-CB 4.04Å; R652-R743 PolarHBondContact N-O 2.85Å; R652-N745 HydrophobicContact CB-CB 4.28Å; R652-N745 HydrophobicContact CG-CB 4.46Å
653	S	75.3	Confident	88.3	Confident	50 Å²	50	31 Å²	31	35%	0.35	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	44.8	-169.9	-61.3	0	0	0	0	112.8	L651 Y655 W656	L651-S653 PolarHBondContact O-N 3.13Å; S653-Y655 VanDerWaalsContact C-N 3.27Å; S653-Y655 PolarHBondContact O-N 3.48Å; S653-W656 VanDerWaalsContact CB-CE3 3.48Å; S653-W656 WeakPolarHBondContact O-CB 3.38Å; S653-W656 PolarHBondContact O-N 3.08Å
654	G	74.7	Confident	88.6	Confident	2 Å²	2	31.3 Å²	31.3	2%	0.021	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-38.3	-45.7	-165.1	0	0	0	0	0	116.7	L651 R652 W656 Q657 F693	L651-G654 PolarHBondContact O-N 2.84Å; R652-G654 VanDerWaalsContact C-N 3.26Å; R652-G654 PolarHBondContact O-N 2.87Å; G654-W656 VanDerWaalsContact C-N 3.28Å; G654-W656 PolarHBondContact O-N 3.22Å; G654-Q657 WeakPolarHBondContact O-CB 3.1Å; G654-Q657 PolarHBondContact O-N 3.05Å; G654-F693 VanDerWaalsContact C-CE2 3.48Å; G654-F693 WeakPolarHBondContact O-CE2 3.39Å
655	Y	81.8	Confident	88.8	Confident	23 Å²	23	26.6 Å²	26.6	9%	0.09	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-52.4	-41.6	175.9	-72.2	-98	0	0	0	113.3	S653 Q657 L658 M682 F684 A689	S653-Y655 VanDerWaalsContact C-N 3.27Å; S653-Y655 PolarHBondContact O-N 3.48Å; Y655-Q657 PolarHBondContact O-N 3.47Å; Y655-L658 PolarHBondContact O-N 3.12Å; Y655-M682 CarbonylContact C-O 3.55Å; Y655-M682 VanDerWaalsContact C-O 3.28Å; Y655-M682 WeakPolarHBondContact CB-O 3.49Å; Y655-M682 HydrophobicContact CD1-CE 3.75Å; Y655-M682 HydrophobicContact CD1-SD 4.49Å; Y655-M682 HydrophobicContact CE1-CE 4.46Å; Y655-M682 HydrophobicContact CG-CE 4.4Å; Y655-M682 WeakPolarHBondContact O-CB 3.08Å; Y655-F684 AromaticContact CD2-CD1 3.86Å; Y655-F684 HydrophobicContact CD2-CD1 3.86Å; Y655-F684 AromaticContact CD2-CE1 3.33Å; Y655-F684 HydrophobicContact CD2-CE1 3.33Å; Y655-F684 AromaticContact CD2-CZ 3.92Å; Y655-F684 HydrophobicContact CD2-CZ 3.92Å; Y655-F684 HydrophobicContact CE2-CD1 4.29Å; Y655-F684 AromaticContact CE2-CE1 3.91Å; Y655-F684 HydrophobicContact CE2-CE1 3.91Å; Y655-F684 HydrophobicContact CG-CD1 4.12Å; Y655-F684 AromaticContact CG-CE1 3.92Å; Y655-F684 HydrophobicContact CG-CE1 3.92Å; Y655-F684 HydrophobicContact CG-CZ 4.34Å; Y655-A689 HydrophobicContact CD1-CB 3.96Å; Y655-A689 HydrophobicContact CE1-CB 3.84Å
656	W	83	Confident	89	Confident	60 Å²	60	27.1 Å²	27.1	23%	0.227	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-71	-11.4	177.2	-63.7	-19.2	0	0	0	114.3	M583 I588 S653 G654 L658 R681	M583-W656 HydrophobicContact SD-CH2 4.45Å; M583-W656 HydrophobicContact SD-CZ2 4.1Å; I588-W656 HydrophobicContact CD1-CD2 4.08Å; I588-W656 HydrophobicContact CD1-CE3 3.58Å; I588-W656 HydrophobicContact CD1-CH2 4.39Å; I588-W656 HydrophobicContact CD1-CZ3 3.76Å; I588-W656 HydrophobicContact CG2-CD2 4.15Å; I588-W656 HydrophobicContact CG2-CG 4.18Å; S653-W656 VanDerWaalsContact CB-CE3 3.48Å; S653-W656 WeakPolarHBondContact O-CB 3.38Å; S653-W656 PolarHBondContact O-N 3.08Å; G654-W656 VanDerWaalsContact C-N 3.28Å; G654-W656 PolarHBondContact O-N 3.22Å; W656-L658 VanDerWaalsContact C-N 3.31Å; W656-R681 HydrophobicContact CB-CB 4.25Å; W656-R681 VanDerWaalsContact O-CB 3.24Å; W656-R681 WeakPolarHBondContact O-CB 3.49Å; W656-R681 WeakPolarHBondContact O-CD 3.48Å; W656-R681 VanDerWaalsContact O-CG 3.28Å; W656-R681 WeakPolarHBondContact O-CG 3.46Å; W656-R681 PolarHBondContact O-NH1 3.2Å; W656-R681 VanDerWaalsContact O-NH1 3.11Å
657	Q	84.8	Confident	89.1	Confident	5 Å²	5	28.8 Å²	28.8	2%	0.023	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-74.8	-25.4	174	-52.9	-166.3	29.9	0	0	111.3	L539 S545 H547 R652 G654 Y655 R681 L742 R743	L539-Q657 HydrophobicContact CD2-CG 3.73Å; S545-Q657 PolarHBondContact OG-O 3.41Å; H547-Q657 PolarHBondContact CD2-O 2.99Å; H547-Q657 PolarHBondContact NE2-O 3.26Å; R652-Q657 PolarHBondContact O-NE2 2.76Å; G654-Q657 WeakPolarHBondContact O-CB 3.1Å; G654-Q657 PolarHBondContact O-N 3.05Å; Y655-Q657 PolarHBondContact O-N 3.47Å; Q657-R681 PolarHBondContact O-NH1 2.96Å; Q657-L742 HydrophobicContact CB-CD2 3.97Å; Q657-L742 VanDerWaalsContact OE1-CA 3.3Å; Q657-R743 PolarHBondContact NE2-O 2.84Å
658	L	87.2	Confident	89.2	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.147	C	C	.	.	S	Bend	trans	-87.1	133.2	175.9	-157.6	71.4	0	0	0	111.8	T549 H551 Y655 W656 R681 M682 F696	T549-L658 HydrophobicContact CG2-CD1 4.5Å; T549-L658 VanDerWaalsContact O-CD1 3.23Å; T549-L658 WeakPolarHBondContact O-CD1 3.45Å; H551-L658 HydrophobicContact CB-CD2 4.35Å; Y655-L658 PolarHBondContact O-N 3.12Å; W656-L658 VanDerWaalsContact C-N 3.31Å; L658-R681 CarbonylContact O-C 3.48Å; L658-R681 WeakPolarHBondContact O-CA 3.46Å; L658-M682 HydrophobicContact CB-CB 4.39Å; L658-M682 HydrophobicContact CB-CE 3.86Å; L658-M682 HydrophobicContact CD2-CE 3.57Å; L658-M682 HydrophobicContact CD2-SD 3.96Å; L658-M682 HydrophobicContact CG-CE 4.35Å; L658-M682 PolarHBondContact O-N 2.83Å; L658-F696 HydrophobicContact CD1-CB 4.12Å; L658-F696 HydrophobicContact CD1-CD1 4Å; L658-F696 HydrophobicContact CD1-CD2 4.05Å; L658-F696 HydrophobicContact CD1-CE1 4.45Å; L658-F696 HydrophobicContact CD1-CG 3.78Å
659	E	89.1	Confident	89.4	Confident	14 Å²	14	27 Å²	27	7%	0.065	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	-76.5	151.4	171.6	-85.5	163.2	-113.8	0	0	112.6	K544 S545 M550 H551	K544-E659 WeakPolarHBondContact CA-OE1 3.39Å; S545-E659 WeakPolarHBondContact CB-OE1 3.45Å; S545-E659 PolarHBondContact N-OE1 2.93Å; S545-E659 PolarHBondContact OG-OE1 2.91Å; M550-E659 CarbonylContact C-O 3.58Å; M550-E659 WeakPolarHBondContact CA-O 3.45Å; M550-E659 HydrophobicContact CE-CB 4.33Å; M550-E659 HydrophobicContact CG-CB 4.2Å; H551-E659 PolarHBondContact N-O 3.01Å
660	I	92.9	Very high	89.7	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	-89.4	138.9	165.2	-59.3	148.5	0	0	0	108.5	H551 E662 D664 R665 T668 F679 R680 M682	H551-I660 HydrophobicContact CB-CG1 4.38Å; I660-E662 PolarHBondContact O-N 2.67Å; I660-D664 HydrophobicContact CG2-CB 4Å; I660-R665 HydrophobicContact CB-CG 4.05Å; I660-R665 HydrophobicContact CG2-CG 4.02Å; I660-T668 HydrophobicContact CD1-CG2 3.77Å; I660-F679 HydrophobicContact CD1-CB 3.49Å; I660-F679 VanDerWaalsContact CD1-CB 3.49Å; I660-F679 VanDerWaalsContact CD1-O 3.27Å; I660-F679 WeakPolarHBondContact CD1-O 3.35Å; I660-R680 PolarHBondContact N-O 3.46Å; I660-M682 HydrophobicContact CG1-CB 4.28Å
661	E	91.9	Very high	90	Very high	49 Å²	49	27.5 Å²	27.5	23%	0.229	14%	0.143	C	C	.	.	P	Polyproline II helix	trans	-57.9	138	175.1	-171.8	164.5	-109.2	0	0	110.9	M550 H551 R552 S663 D664 R665	M550-E661 HydrophobicContact CB-CB 4.33Å; H551-E661 PolarHBondContact O-N 3.37Å; R552-E661 WeakPolarHBondContact CD-OE2 3.45Å; R552-E661 HydrophobicContact CG-CB 4.23Å; R552-E661 WeakPolarHBondContact CG-OE2 3.35Å; R552-E661 IonicContact CZ-OE1 3.61Å; R552-E661 VanDerWaalsContact CZ-OE1 3.27Å; R552-E661 IonicContact CZ-OE2 2.71Å; R552-E661 IonicContact NE-OE1 3.33Å; R552-E661 PolarHBondContact NE-OE1 3.27Å; R552-E661 IonicContact NE-OE2 3.15Å; R552-E661 PolarHBondContact NE-OE2 3.33Å; R552-E661 IonicContact NH2-OE1 2.96Å; R552-E661 PolarHBondContact NH2-OE1 2.71Å; R552-E661 IonicContact NH2-OE2 3.77Å; E661-S663 VanDerWaalsContact C-N 3.26Å; E661-S663 PolarHBondContact O-N 3.21Å; E661-S663 VanDerWaalsContact O-N 3.15Å; E661-D664 WeakPolarHBondContact O-CA 3.49Å; E661-D664 PolarHBondContact O-N 3.37Å; E661-R665 PolarHBondContact O-N 3.24Å; E661-R665 VanDerWaalsContact O-N 3.16Å
662	E	91.7	Very high	90.4	Very high	115 Å²	115	27.8 Å²	27.8	54%	0.537	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-32.5	-163.8	-162.5	141.2	-108.3	0	0	113.4	I660 D664 R665	I660-E662 PolarHBondContact O-N 2.67Å; E662-D664 VanDerWaalsContact C-N 3.33Å; E662-R665 IonicContact OE1-CZ 3.16Å; E662-R665 IonicContact OE1-NH1 2.71Å; E662-R665 PolarHBondContact OE1-NH1 3.35Å; E662-R665 IonicContact OE1-NH2 3.12Å; E662-R665 PolarHBondContact OE1-NH2 3.32Å
663	S	92.9	Very high	90.7	Very high	83 Å²	83	28 Å²	28	58%	0.58	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-23.1	172.6	45.8	0	0	0	0	114.6	E661	E661-S663 VanDerWaalsContact C-N 3.26Å; E661-S663 PolarHBondContact O-N 3.21Å; E661-S663 VanDerWaalsContact O-N 3.15Å
664	D	95.6	Very high	91.5	Very high	12 Å²	12	28.5 Å²	28.5	6%	0.064	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-15	-176.3	-78.9	-21.7	0	0	0	113.5	R552 I553 I660 E661 E662 P666 K667	R552-D664 WeakPolarHBondContact CA-OD2 3.4Å; I553-D664 HydrophobicContact CB-CB 4.27Å; I553-D664 HydrophobicContact CG1-CB 4.34Å; I553-D664 PolarHBondContact N-OD2 3.39Å; I660-D664 HydrophobicContact CG2-CB 4Å; E661-D664 WeakPolarHBondContact O-CA 3.49Å; E661-D664 PolarHBondContact O-N 3.37Å; E662-D664 VanDerWaalsContact C-N 3.33Å; D664-P666 VanDerWaalsContact C-CD 3.42Å; D664-P666 VanDerWaalsContact C-N 3.32Å; D664-K667 HydrophobicContact CB-CD 4.47Å; D664-K667 WeakPolarHBondContact O-CB 3.38Å; D664-K667 PolarHBondContact O-N 2.95Å; D664-K667 WeakPolarHBondContact OD1-CD 3.46Å; D664-K667 WeakPolarHBondContact OD1-CE 3.08Å; D664-K667 IonicContact OD1-NZ 2.77Å; D664-K667 PolarHBondContact OD1-NZ 2.87Å
665	R	96	Very high	92.3	Very high	21 Å²	21	29.6 Å²	29.6	8%	0.079	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-49.9	-44.5	173.9	-62.6	-172.6	-164.3	135.4	16.8	113.3	E590 I660 E661 E662 K667 T668 Q678 F679	E590-R665 WeakPolarHBondContact OE1-CD 3.28Å; E590-R665 IonicContact OE1-NH1 3.21Å; I660-R665 HydrophobicContact CB-CG 4.05Å; I660-R665 HydrophobicContact CG2-CG 4.02Å; E661-R665 PolarHBondContact O-N 3.24Å; E661-R665 VanDerWaalsContact O-N 3.16Å; E662-R665 IonicContact OE1-CZ 3.16Å; E662-R665 IonicContact OE1-NH1 2.71Å; E662-R665 PolarHBondContact OE1-NH1 3.35Å; E662-R665 IonicContact OE1-NH2 3.12Å; E662-R665 PolarHBondContact OE1-NH2 3.32Å; R665-K667 PolarHBondContact O-N 2.86Å; R665-K667 VanDerWaalsContact O-N 3.13Å; R665-T668 WeakPolarHBondContact O-CB 3.4Å; R665-T668 PolarHBondContact O-N 3.29Å; R665-T668 PolarHBondContact O-OG1 3.02Å; R665-Q678 HydrophobicContact CB-CG 4.47Å; R665-F679 WeakPolarHBondContact CG-O 3.47Å
666	P	96.5	Very high	93.1	Very high	42 Å²	42	30.8 Å²	30.8	27%	0.273	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-58.1	-29.2	178.4	-25.6	36.5	0	0	0	113.7	S594 W596 D664 T668 A669	S594-P666 WeakPolarHBondContact CB-O 3.44Å; S594-P666 WeakPolarHBondContact OG-CB 2.96Å; S594-P666 PolarHBondContact OG-O 3.22Å; W596-P666 WeakPolarHBondContact CB-O 3.43Å; D664-P666 VanDerWaalsContact C-CD 3.42Å; D664-P666 VanDerWaalsContact C-N 3.32Å; P666-T668 PolarHBondContact O-N 3.04Å; P666-A669 VanDerWaalsContact O-CB 3.23Å; P666-A669 WeakPolarHBondContact O-CB 3.48Å; P666-A669 PolarHBondContact O-N 2.89Å
667	K	97	Very high	93.8	Very high	35 Å²	35	29.2 Å²	29.2	15%	0.152	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-69.7	-19.4	177.3	-61.3	169.4	177.3	165.9	0	112.8	I553 T555 W596 F598 L619 D664 R665 A669	I553-K667 HydrophobicContact CB-CD 4.1Å; I553-K667 HydrophobicContact CD1-CB 4.48Å; I553-K667 HydrophobicContact CG2-CB 4.4Å; I553-K667 HydrophobicContact CG2-CD 4.19Å; I553-K667 VanDerWaalsContact O-CD 3.31Å; I553-K667 WeakPolarHBondContact O-CD 3.43Å; I553-K667 PolarHBondContact O-NZ 3.2Å; T555-K667 HydrophobicContact CG2-CD 4.15Å; W596-K667 HydrophobicContact CD2-CG 4.43Å; W596-K667 HydrophobicContact CZ2-CG 4.26Å; F598-K667 WeakPolarHBondContact CE2-O 3.41Å; L619-K667 HydrophobicContact CD1-CB 4.4Å; L619-K667 WeakPolarHBondContact CD2-O 3.18Å; D664-K667 HydrophobicContact CB-CD 4.47Å; D664-K667 WeakPolarHBondContact O-CB 3.38Å; D664-K667 PolarHBondContact O-N 2.95Å; D664-K667 WeakPolarHBondContact OD1-CD 3.46Å; D664-K667 WeakPolarHBondContact OD1-CE 3.08Å; D664-K667 IonicContact OD1-NZ 2.77Å; D664-K667 PolarHBondContact OD1-NZ 2.87Å; R665-K667 PolarHBondContact O-N 2.86Å; R665-K667 VanDerWaalsContact O-N 3.13Å; K667-A669 VanDerWaalsContact C-N 3.33Å
668	T	97.1	Very high	94.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-85.6	-3.5	175.4	70.8	0	0	0	0	113.7	I553 Y616 I660 R665 P666 F670 F679 L686	I553-T668 HydrophobicContact CD1-CG2 3.42Å; I553-T668 VanDerWaalsContact CD1-CG2 3.42Å; Y616-T668 WeakPolarHBondContact CE1-O 3.17Å; Y616-T668 PolarHBondContact OH-O 3.25Å; I660-T668 HydrophobicContact CD1-CG2 3.77Å; R665-T668 WeakPolarHBondContact O-CB 3.4Å; R665-T668 PolarHBondContact O-N 3.29Å; R665-T668 PolarHBondContact O-OG1 3.02Å; P666-T668 PolarHBondContact O-N 3.04Å; T668-F670 PolarHBondContact O-N 2.77Å; T668-F679 PolarHBondContact OG1-N 3.15Å; T668-L686 HydrophobicContact CG2-CD1 4.15Å
669	A	97.5	Very high	94.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.17	C	C	.	.			trans	-58	132.8	-170.6	0	0	0	0	0	113	W596 A597 F598 P666 K667 L676 F677 Q678	W596-A669 WeakPolarHBondContact O-CB 3.49Å; A597-A669 CarbonylContact C-O 3.54Å; A597-A669 WeakPolarHBondContact CA-O 3.32Å; F598-A669 WeakPolarHBondContact CD2-O 3.28Å; F598-A669 PolarHBondContact N-O 3.34Å; P666-A669 VanDerWaalsContact O-CB 3.23Å; P666-A669 WeakPolarHBondContact O-CB 3.48Å; P666-A669 PolarHBondContact O-N 2.89Å; K667-A669 VanDerWaalsContact C-N 3.33Å; A669-L676 HydrophobicContact CB-CD1 4.34Å; A669-F677 CarbonylContact C-O 3.6Å; A669-F677 WeakPolarHBondContact CA-O 3.36Å; A669-Q678 HydrophobicContact CB-CB 4.09Å
670	F	97.3	Very high	94.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	145.7	-175.4	67.7	-94.9	0	0	0	111.5	V580 I589 F598 V600 F612 V614 T668 T672 F677 F679	V580-F670 HydrophobicContact CG2-CE2 4.22Å; I589-F670 HydrophobicContact CB-CE1 4.44Å; I589-F670 HydrophobicContact CD1-CZ 3.77Å; I589-F670 HydrophobicContact CG2-CE1 3.86Å; I589-F670 HydrophobicContact CG2-CZ 4.1Å; F598-F670 CarbonylContact O-C 3.57Å; F598-F670 WeakPolarHBondContact O-CA 3.37Å; F598-F670 WeakPolarHBondContact O-CB 3.33Å; V600-F670 HydrophobicContact CG2-CB 4.49Å; V600-F670 HydrophobicContact CG2-CD2 3.68Å; V600-F670 HydrophobicContact CG2-CE2 4.36Å; V600-F670 HydrophobicContact CG2-CG 4.42Å; F612-F670 HydrophobicContact CE1-CD2 4.15Å; F612-F670 AromaticContact CE1-CE2 3.89Å; F612-F670 HydrophobicContact CE1-CE2 3.89Å; F612-F670 HydrophobicContact CE1-CZ 4.07Å; F612-F670 AromaticContact CZ-CD2 3.92Å; F612-F670 HydrophobicContact CZ-CD2 3.92Å; F612-F670 AromaticContact CZ-CE2 3.46Å; F612-F670 HydrophobicContact CZ-CE2 3.46Å; F612-F670 VanDerWaalsContact CZ-CE2 3.46Å; F612-F670 AromaticContact CZ-CZ 3.96Å; F612-F670 HydrophobicContact CZ-CZ 3.96Å; V614-F670 HydrophobicContact CB-CB 4.4Å; V614-F670 HydrophobicContact CG1-CB 3.74Å; V614-F670 HydrophobicContact CG2-CB 3.68Å; V614-F670 HydrophobicContact CG2-CD1 4.18Å; V614-F670 HydrophobicContact CG2-CD2 4.48Å; V614-F670 HydrophobicContact CG2-CG 3.87Å; T668-F670 PolarHBondContact O-N 2.77Å; F670-T672 HydrophobicContact CD2-CG2 4.16Å; F670-T672 HydrophobicContact CE2-CG2 4.12Å; F670-F677 HydrophobicContact CD1-CB 4.48Å; F670-F677 HydrophobicContact CD2-CB 4.44Å; F670-F677 HydrophobicContact CE1-CB 3.87Å; F670-F677 HydrophobicContact CE2-CB 3.79Å; F670-F677 AromaticContact CE2-CD2 3.92Å; F670-F677 HydrophobicContact CE2-CD2 3.92Å; F670-F677 HydrophobicContact CE2-CG 4.23Å; F670-F677 HydrophobicContact CZ-CB 3.51Å; F670-F677 HydrophobicContact CZ-CD2 4.39Å; F670-F677 HydrophobicContact CZ-CG 4.25Å; F670-F677 PolarHBondContact N-O 3.02Å; F670-F677 PolarHBondContact O-N 3Å; F670-F679 AromaticContact CD1-CD2 3.74Å; F670-F679 HydrophobicContact CD1-CD2 3.74Å; F670-F679 AromaticContact CD1-CE2 3.36Å; F670-F679 HydrophobicContact CD1-CE2 3.36Å; F670-F679 HydrophobicContact CD1-CZ 4.27Å; F670-F679 AromaticContact CE1-CD2 3.71Å; F670-F679 HydrophobicContact CE1-CD2 3.71Å; F670-F679 AromaticContact CE1-CE2 3.3Å; F670-F679 HydrophobicContact CE1-CE2 3.3Å; F670-F679 AromaticContact CE1-CZ 3.82Å; F670-F679 HydrophobicContact CE1-CZ 3.82Å; F670-F679 HydrophobicContact CG-CE2 4.43Å; F670-F679 HydrophobicContact CZ-CE2 4.35Å
671	V	96.6	Very high	94.8	Very high	21 Å²	21	36.2 Å²	36.2	13%	0.127	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	132.3	-174.3	63.7	0	0	0	0	111.1	P565 A597 F598 L676	P565-V671 HydrophobicContact CB-CG1 4.07Å; P565-V671 HydrophobicContact CB-CG2 4.17Å; P565-V671 HydrophobicContact CG-CG1 4.5Å; P565-V671 HydrophobicContact CG-CG2 4.04Å; A597-V671 HydrophobicContact CB-CB 4.28Å; A597-V671 HydrophobicContact CB-CG1 4.13Å; F598-V671 PolarHBondContact O-N 3.22Å; V671-L676 HydrophobicContact CB-CD1 4.1Å
672	T	95	Very high	94.8	Very high	8 Å²	8	33.9 Å²	33.9	5%	0.049	18%	0.18	C	C	.	.			trans	-113	174.2	173.8	72.7	0	0	0	0	109.5	I576 V580 V600 F670 D674 G675	I576-T672 HydrophobicContact CG2-CG2 3.68Å; V580-T672 HydrophobicContact CG2-CG2 4.39Å; V600-T672 HydrophobicContact CG2-CG2 3.89Å; F670-T672 HydrophobicContact CD2-CG2 4.16Å; F670-T672 HydrophobicContact CE2-CG2 4.12Å; T672-D674 PolarHBondContact O-N 2.95Å; T672-D674 PolarHBondContact OG1-N 3.04Å; T672-G675 PolarHBondContact N-O 3.02Å; T672-G675 PolarHBondContact OG1-N 3.11Å; T672-G675 PolarHBondContact OG1-O 3.3Å
673	P	90.7	Very high	94.8	Very high	47 Å²	47	28.6 Å²	28.6	31%	0.305	16%	0.156	S	C	.	.	S	Bend	trans	-65.1	-12.1	167.4	-20.7	33.8	0	0	0	114.5	V568 R573	V568-P673 HydrophobicContact CG2-CG 3.73Å; R573-P673 HydrophobicContact CG-CB 4.33Å; R573-P673 HydrophobicContact CG-CG 4.39Å; R573-P673 PolarHBondContact NH2-O 2.71Å
674	D	91.3	Very high	94.5	Very high	62 Å²	62	29.4 Å²	29.4	33%	0.332	15%	0.149	S	C	.	.	S	Bend	trans	-114.2	-9.6	-172.1	-68	-20.5	0	0	0	113.3	R573 R577 T672	R573-D674 IonicContact CZ-OD1 3.9Å; R573-D674 IonicContact NE-OD1 3.3Å; R573-D674 PolarHBondContact NE-OD1 2.8Å; R573-D674 IonicContact NE-OD2 3.9Å; R573-D674 IonicContact NH2-OD1 2.72Å; R573-D674 PolarHBondContact NH2-OD1 2.84Å; R577-D674 IonicContact CZ-OD2 3.18Å; R577-D674 IonicContact NE-OD2 2.7Å; R577-D674 PolarHBondContact NE-OD2 2.81Å; R577-D674 IonicContact NH2-OD2 2.67Å; T672-D674 PolarHBondContact O-N 2.95Å; T672-D674 PolarHBondContact OG1-N 3.04Å
675	G	93.5	Very high	94.2	Very high	25 Å²	25	31.2 Å²	31.2	26%	0.258	17%	0.17	S	C	.	.			trans	168.9	179.3	177.8	0	0	0	0	0	116	T672	T672-G675 PolarHBondContact N-O 3.02Å; T672-G675 PolarHBondContact OG1-N 3.11Å; T672-G675 PolarHBondContact OG1-O 3.3Å
676	L	97.2	Very high	94	Very high	48 Å²	48	30.6 Å²	30.6	25%	0.251	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	125.7	175.5	180	64.7	0	0	0	109.1	S592 A597 A669 V671	S592-L676 PolarHBondContact N-O 2.73Å; S592-L676 VanDerWaalsContact O-CD2 3.31Å; S592-L676 WeakPolarHBondContact O-CD2 3.23Å; S592-L676 WeakPolarHBondContact O-CG 3.42Å; A597-L676 HydrophobicContact CB-CD1 4.1Å; A669-L676 HydrophobicContact CB-CD1 4.34Å; V671-L676 HydrophobicContact CB-CD1 4.1Å
677	F	97.8	Very high	93.7	Very high	27 Å²	27	29.8 Å²	29.8	12%	0.118	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	160.4	-173.4	-53.8	-87.2	0	0	0	110.1	V580 L584 I589 E590 A669 F670	V580-F677 HydrophobicContact CG1-CD1 4.35Å; V580-F677 HydrophobicContact CG1-CD2 4.27Å; V580-F677 HydrophobicContact CG1-CE1 3.98Å; V580-F677 HydrophobicContact CG1-CE2 3.88Å; V580-F677 HydrophobicContact CG1-CG 4.5Å; V580-F677 HydrophobicContact CG1-CZ 3.72Å; L584-F677 HydrophobicContact CD1-CD1 4.46Å; L584-F677 HydrophobicContact CD1-CE1 3.99Å; L584-F677 HydrophobicContact CD2-CD1 4.34Å; I589-F677 HydrophobicContact CD1-CB 4.39Å; E590-F677 CarbonylContact O-C 3.56Å; E590-F677 VanDerWaalsContact O-CA 3.28Å; E590-F677 WeakPolarHBondContact O-CA 3.17Å; A669-F677 CarbonylContact C-O 3.6Å; A669-F677 WeakPolarHBondContact CA-O 3.36Å; F670-F677 HydrophobicContact CD1-CB 4.48Å; F670-F677 HydrophobicContact CD2-CB 4.44Å; F670-F677 HydrophobicContact CE1-CB 3.87Å; F670-F677 HydrophobicContact CE2-CB 3.79Å; F670-F677 AromaticContact CE2-CD2 3.92Å; F670-F677 HydrophobicContact CE2-CD2 3.92Å; F670-F677 HydrophobicContact CE2-CG 4.23Å; F670-F677 HydrophobicContact CZ-CB 3.51Å; F670-F677 HydrophobicContact CZ-CD2 4.39Å; F670-F677 HydrophobicContact CZ-CG 4.25Å; F670-F677 PolarHBondContact N-O 3.02Å; F670-F677 PolarHBondContact O-N 3Å
678	Q	97.1	Very high	93.5	Very high	25 Å²	25	28.6 Å²	28.6	12%	0.117	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	157.2	174.6	69.3	-171.2	29.8	0	0	111.2	I589 E590 S592 R665 A669	I589-Q678 CarbonylContact C-O 3.43Å; I589-Q678 WeakPolarHBondContact CA-O 3.16Å; I589-Q678 WeakPolarHBondContact CB-O 2.86Å; E590-Q678 HydrophobicContact CG-CG 3.51Å; E590-Q678 PolarHBondContact N-O 3.19Å; E590-Q678 PolarHBondContact O-N 3.48Å; E590-Q678 PolarHBondContact OE1-NE2 3.31Å; S592-Q678 PolarHBondContact OG-OE1 2.94Å; R665-Q678 HydrophobicContact CB-CG 4.47Å; A669-Q678 HydrophobicContact CB-CB 4.09Å
679	F	95.6	Very high	93.2	Very high	6 Å²	6	28.7 Å²	28.7	3%	0.026	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	136.4	178.5	-78.4	-88.5	0	0	0	111.8	M583 I588 I589 V614 Y616 I660 R665 T668 F670 R681 P683	M583-F679 HydrophobicContact SD-CE1 4.05Å; M583-F679 HydrophobicContact SD-CZ 4.32Å; I588-F679 HydrophobicContact CG2-CD1 4Å; I588-F679 HydrophobicContact CG2-CE1 4.01Å; I589-F679 HydrophobicContact CG2-CD1 3.47Å; I589-F679 VanDerWaalsContact CG2-CD1 3.47Å; I589-F679 HydrophobicContact CG2-CD2 4.38Å; I589-F679 HydrophobicContact CG2-CE1 3.46Å; I589-F679 VanDerWaalsContact CG2-CE1 3.46Å; I589-F679 HydrophobicContact CG2-CE2 4.4Å; I589-F679 HydrophobicContact CG2-CG 3.93Å; I589-F679 HydrophobicContact CG2-CZ 3.95Å; V614-F679 HydrophobicContact CG2-CE2 4.13Å; Y616-F679 VanDerWaalsContact OH-CD2 3.32Å; Y616-F679 WeakPolarHBondContact OH-CD2 3.41Å; Y616-F679 WeakPolarHBondContact OH-CE2 3.37Å; I660-F679 HydrophobicContact CD1-CB 3.49Å; I660-F679 VanDerWaalsContact CD1-CB 3.49Å; I660-F679 VanDerWaalsContact CD1-O 3.27Å; I660-F679 WeakPolarHBondContact CD1-O 3.35Å; R665-F679 WeakPolarHBondContact CG-O 3.47Å; T668-F679 PolarHBondContact OG1-N 3.15Å; F670-F679 AromaticContact CD1-CD2 3.74Å; F670-F679 HydrophobicContact CD1-CD2 3.74Å; F670-F679 AromaticContact CD1-CE2 3.36Å; F670-F679 HydrophobicContact CD1-CE2 3.36Å; F670-F679 HydrophobicContact CD1-CZ 4.27Å; F670-F679 AromaticContact CE1-CD2 3.71Å; F670-F679 HydrophobicContact CE1-CD2 3.71Å; F670-F679 AromaticContact CE1-CE2 3.3Å; F670-F679 HydrophobicContact CE1-CE2 3.3Å; F670-F679 AromaticContact CE1-CZ 3.82Å; F670-F679 HydrophobicContact CE1-CZ 3.82Å; F670-F679 HydrophobicContact CG-CE2 4.43Å; F670-F679 HydrophobicContact CZ-CE2 4.35Å; F679-R681 WeakPolarHBondContact CB-O 3.33Å; F679-R681 WeakPolarHBondContact CD1-O 3.12Å; F679-P683 HydrophobicContact CB-CG 4.23Å; F679-P683 HydrophobicContact CD1-CB 3.85Å; F679-P683 HydrophobicContact CD1-CG 4.28Å; F679-P683 HydrophobicContact CD2-CB 3.79Å; F679-P683 HydrophobicContact CD2-CG 3.7Å; F679-P683 HydrophobicContact CE1-CB 3.84Å; F679-P683 HydrophobicContact CE2-CB 3.75Å; F679-P683 HydrophobicContact CE2-CG 4.11Å; F679-P683 HydrophobicContact CG-CB 3.85Å; F679-P683 HydrophobicContact CG-CG 3.8Å; F679-P683 HydrophobicContact CZ-CB 3.8Å
680	R	92.7	Very high	92.7	Very high	103 Å²	103	31 Å²	31	39%	0.389	18%	0.176	S	C	.	.	S	Bend	trans	-85.7	-34.4	161.8	-69.4	-178.4	166	-173.2	0.7	111.3	I588 E590 I660	I588-R680 PolarHBondContact O-N 3.29Å; E590-R680 HydrophobicContact CB-CG 4.48Å; E590-R680 VanDerWaalsContact CD-NE 3.35Å; E590-R680 HydrophobicContact CG-CG 4.21Å; E590-R680 IonicContact OE1-NE 3.37Å; E590-R680 IonicContact OE2-CZ 3.99Å; E590-R680 IonicContact OE2-NE 3.06Å; E590-R680 PolarHBondContact OE2-NE 3.39Å; E590-R680 IonicContact OE2-NH2 2.66Å; E590-R680 PolarHBondContact OE2-NH2 3Å; I660-R680 PolarHBondContact N-O 3.46Å
681	R	90.6	Very high	92.2	Very high	32 Å²	32	31.5 Å²	31.5	12%	0.121	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-109	140.1	-177.6	-56.5	-53.1	-163.8	115.6	-14.9	111.4	E543 S545 I588 W656 Q657 L658 F679 P683	E543-R681 PolarHBondContact O-NH2 3.07Å; S545-R681 PolarHBondContact OG-NH1 3.24Å; S545-R681 PolarHBondContact OG-NH2 3.1Å; I588-R681 HydrophobicContact CG2-CB 4.32Å; I588-R681 PolarHBondContact O-N 2.76Å; W656-R681 HydrophobicContact CB-CB 4.25Å; W656-R681 VanDerWaalsContact O-CB 3.24Å; W656-R681 WeakPolarHBondContact O-CB 3.49Å; W656-R681 WeakPolarHBondContact O-CD 3.48Å; W656-R681 VanDerWaalsContact O-CG 3.28Å; W656-R681 WeakPolarHBondContact O-CG 3.46Å; W656-R681 PolarHBondContact O-NH1 3.2Å; W656-R681 VanDerWaalsContact O-NH1 3.11Å; Q657-R681 PolarHBondContact O-NH1 2.96Å; L658-R681 CarbonylContact O-C 3.48Å; L658-R681 WeakPolarHBondContact O-CA 3.46Å; F679-R681 WeakPolarHBondContact CB-O 3.33Å; F679-R681 WeakPolarHBondContact CD1-O 3.12Å; R681-P683 VanDerWaalsContact O-CD 3.22Å; R681-P683 WeakPolarHBondContact O-CD 3.09Å; R681-P683 VanDerWaalsContact O-N 3.14Å
682	M	91.8	Very high	91.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.177	C	C	.	.			trans	-56.7	113.7	-170.8	172.9	174.6	67.6	0	0	112.5	H551 Y655 L658 I660 A689 F693	H551-M682 HydrophobicContact CB-CB 4.1Å; H551-M682 HydrophobicContact CB-CG 4.1Å; H551-M682 HydrophobicContact CB-SD 3.71Å; H551-M682 VanDerWaalsContact CG-SD 3.5Å; Y655-M682 CarbonylContact C-O 3.55Å; Y655-M682 VanDerWaalsContact C-O 3.28Å; Y655-M682 WeakPolarHBondContact CB-O 3.49Å; Y655-M682 HydrophobicContact CD1-CE 3.75Å; Y655-M682 HydrophobicContact CD1-SD 4.49Å; Y655-M682 HydrophobicContact CE1-CE 4.46Å; Y655-M682 HydrophobicContact CG-CE 4.4Å; Y655-M682 WeakPolarHBondContact O-CB 3.08Å; L658-M682 HydrophobicContact CB-CB 4.39Å; L658-M682 HydrophobicContact CB-CE 3.86Å; L658-M682 HydrophobicContact CD2-CE 3.57Å; L658-M682 HydrophobicContact CD2-SD 3.96Å; L658-M682 HydrophobicContact CG-CE 4.35Å; L658-M682 PolarHBondContact O-N 2.83Å; I660-M682 HydrophobicContact CG1-CB 4.28Å; M682-A689 HydrophobicContact CE-CB 4.39Å; M682-A689 HydrophobicContact CG-CB 3.9Å; M682-A689 HydrophobicContact SD-CB 3.48Å; M682-A689 WeakPolarHBondContact SD-CB 3.49Å; M682-F693 HydrophobicContact CE-CB 3.95Å; M682-F693 HydrophobicContact CE-CD2 3.79Å; M682-F693 HydrophobicContact CE-CG 4.31Å
683	P	90.8	Very high	91.4	Very high	4 Å²	4	30.4 Å²	30.4	3%	0.026	17%	0.174	C	C	.	.			trans	-79.3	158.2	179.9	31.5	-36.8	0	0	0	112.6	Y616 F679 R681 L686	Y616-P683 HydrophobicContact CE2-CB 4.14Å; Y616-P683 HydrophobicContact CE2-CG 3.7Å; F679-P683 HydrophobicContact CB-CG 4.23Å; F679-P683 HydrophobicContact CD1-CB 3.85Å; F679-P683 HydrophobicContact CD1-CG 4.28Å; F679-P683 HydrophobicContact CD2-CB 3.79Å; F679-P683 HydrophobicContact CD2-CG 3.7Å; F679-P683 HydrophobicContact CE1-CB 3.84Å; F679-P683 HydrophobicContact CE2-CB 3.75Å; F679-P683 HydrophobicContact CE2-CG 4.11Å; F679-P683 HydrophobicContact CG-CB 3.85Å; F679-P683 HydrophobicContact CG-CG 3.8Å; F679-P683 HydrophobicContact CZ-CB 3.8Å; R681-P683 VanDerWaalsContact O-CD 3.22Å; R681-P683 WeakPolarHBondContact O-CD 3.09Å; R681-P683 VanDerWaalsContact O-N 3.14Å; P683-L686 HydrophobicContact CG-CD1 3.68Å; P683-L686 HydrophobicContact CG-CG 4.03Å
684	F	87.8	Confident	91.2	Very high	100 Å²	100	28.5 Å²	28.5	44%	0.439	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	145.7	167	-62.5	-88.6	0	0	0	111.2	Y655	Y655-F684 AromaticContact CD2-CD1 3.86Å; Y655-F684 HydrophobicContact CD2-CD1 3.86Å; Y655-F684 AromaticContact CD2-CE1 3.33Å; Y655-F684 HydrophobicContact CD2-CE1 3.33Å; Y655-F684 AromaticContact CD2-CZ 3.92Å; Y655-F684 HydrophobicContact CD2-CZ 3.92Å; Y655-F684 HydrophobicContact CE2-CD1 4.29Å; Y655-F684 AromaticContact CE2-CE1 3.91Å; Y655-F684 HydrophobicContact CE2-CE1 3.91Å; Y655-F684 HydrophobicContact CG-CD1 4.12Å; Y655-F684 AromaticContact CG-CE1 3.92Å; Y655-F684 HydrophobicContact CG-CE1 3.92Å; Y655-F684 HydrophobicContact CG-CZ 4.34Å
685	G	88.1	Confident	90.9	Very high	50 Å²	50	29.9 Å²	29.9	52%	0.515	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.4	-6.5	172.7	0	0	0	0	0	116.1	N620	N620-G685 PolarHBondContact ND2-O 3.13Å
686	L	93	Very high	90.5	Very high	7 Å²	7	29.1 Å²	29.1	4%	0.037	15%	0.152	C	C	.	.			trans	-74.8	136.5	172.5	-64.1	176.4	0	0	0	111.9	H551 I553 Y616 L619 T668 P683 N688 A689	H551-L686 WeakPolarHBondContact NE2-CD1 3.26Å; I553-L686 HydrophobicContact CD1-CD1 3.86Å; I553-L686 HydrophobicContact CD1-CD2 4.34Å; Y616-L686 HydrophobicContact CD1-CD2 3.94Å; Y616-L686 HydrophobicContact CD2-CD2 3.61Å; Y616-L686 HydrophobicContact CD2-CG 4.08Å; Y616-L686 HydrophobicContact CE1-CD2 4.21Å; Y616-L686 HydrophobicContact CE2-CD2 3.88Å; Y616-L686 HydrophobicContact CE2-CG 4.19Å; Y616-L686 HydrophobicContact CG-CD2 3.64Å; L619-L686 HydrophobicContact CD2-CD2 3.56Å; T668-L686 HydrophobicContact CG2-CD1 4.15Å; P683-L686 HydrophobicContact CG-CD1 3.68Å; P683-L686 HydrophobicContact CG-CG 4.03Å; L686-N688 VanDerWaalsContact C-N 3.29Å; L686-N688 PolarHBondContact O-N 3.22Å; L686-A689 HydrophobicContact CB-CB 4.08Å; L686-A689 WeakPolarHBondContact O-CB 3.43Å; L686-A689 PolarHBondContact O-N 2.77Å
687	A	90.3	Very high	89.9	Confident	26 Å²	26	26.9 Å²	26.9	22%	0.215	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-37.3	-171.8	0	0	0	0	0	114.9	N620	N620-A687 HydrophobicContact CB-CB 3.97Å; N620-A687 WeakPolarHBondContact OD1-CB 3.14Å; N620-A687 PolarHBondContact OD1-N 3.04Å
688	N	92.2	Very high	89.1	Confident	10 Å²	10	26.9 Å²	26.9	5%	0.053	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	2.7	-174.5	-64.6	-9.1	0	0	0	112.8	V624 D626 L686 A691 S692	V624-N688 PolarHBondContact O-ND2 2.85Å; D626-N688 HydrophobicContact CB-CB 3.9Å; D626-N688 PolarHBondContact N-OD1 3.3Å; L686-N688 VanDerWaalsContact C-N 3.29Å; L686-N688 PolarHBondContact O-N 3.22Å; N688-A691 PolarHBondContact O-N 2.83Å; N688-S692 PolarHBondContact O-N 2.84Å; N688-S692 PolarHBondContact O-OG 3Å
689	A	90.2	Very high	88.3	Confident	1 Å²	1	28.1 Å²	28.1	1%	0.008	16%	0.163	C	C	.	.	H	α-helix	trans	-62.4	-43	-178.8	0	0	0	0	0	113	Y655 M682 L686 A691 S692 F693	Y655-A689 HydrophobicContact CD1-CB 3.96Å; Y655-A689 HydrophobicContact CE1-CB 3.84Å; M682-A689 HydrophobicContact CE-CB 4.39Å; M682-A689 HydrophobicContact CG-CB 3.9Å; M682-A689 HydrophobicContact SD-CB 3.48Å; M682-A689 WeakPolarHBondContact SD-CB 3.49Å; L686-A689 HydrophobicContact CB-CB 4.08Å; L686-A689 WeakPolarHBondContact O-CB 3.43Å; L686-A689 PolarHBondContact O-N 2.77Å; A689-A691 VanDerWaalsContact C-N 3.3Å; A689-A691 PolarHBondContact O-N 3.28Å; A689-S692 PolarHBondContact O-N 3.22Å; A689-F693 WeakPolarHBondContact O-CB 3.48Å; A689-F693 PolarHBondContact O-N 2.71Å
690	P	87.1	Confident	87.6	Confident	49 Å²	49	28.7 Å²	28.7	32%	0.318	17%	0.167	S	C	.	.	H	α-helix	trans	-57.3	-40.3	173.5	-27.7	37.4	0	0	0	113.3	S694 L713	P690-S694 VanDerWaalsContact O-CB 3.24Å; P690-S694 WeakPolarHBondContact O-CB 3.5Å; P690-S694 PolarHBondContact O-N 2.89Å; P690-S694 PolarHBondContact O-OG 2.79Å; P690-L713 HydrophobicContact CB-CD2 3.6Å; P690-L713 WeakPolarHBondContact O-CD2 3.41Å
691	A	87.3	Confident	87.1	Confident	11 Å²	11	23.9 Å²	23.9	9%	0.091	15%	0.149	C	C	.	.	H	α-helix	trans	-69	-43.8	178.2	0	0	0	0	0	112.1	D626 N688 A689 R695	D626-A691 HydrophobicContact CB-CB 4.11Å; D626-A691 WeakPolarHBondContact O-CB 3.35Å; D626-A691 WeakPolarHBondContact OD2-CB 3.32Å; N688-A691 PolarHBondContact O-N 2.83Å; A689-A691 VanDerWaalsContact C-N 3.3Å; A689-A691 PolarHBondContact O-N 3.28Å; A691-R695 VanDerWaalsContact O-CB 3.29Å; A691-R695 WeakPolarHBondContact O-CB 3.37Å; A691-R695 PolarHBondContact O-N 3.3Å
692	S	88.3	Confident	86.1	Confident	6 Å²	6	25.7 Å²	25.7	4%	0.042	17%	0.166	C	C	.	.	H	α-helix	trans	-64.2	-43.7	177.5	-59.5	0	0	0	0	111.9	H551 N688 A689 R695 F696	H551-S692 WeakPolarHBondContact ND1-CB 3.4Å; H551-S692 PolarHBondContact ND1-OG 3.26Å; N688-S692 PolarHBondContact O-N 2.84Å; N688-S692 PolarHBondContact O-OG 3Å; A689-S692 PolarHBondContact O-N 3.22Å; S692-R695 PolarHBondContact O-N 2.8Å; S692-F696 WeakPolarHBondContact O-CB 3.34Å; S692-F696 PolarHBondContact O-N 2.82Å
693	F	86.9	Confident	84.8	Confident	0 Å²	0	27 Å²	27	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-68.7	-43.5	178.4	-159.8	-99	0	0	0	112.1	L651 G654 M682 A689 R695 F696 I697 L713 D714	L651-F693 HydrophobicContact CD1-CE1 4.12Å; L651-F693 HydrophobicContact CD1-CZ 3.73Å; G654-F693 VanDerWaalsContact C-CE2 3.48Å; G654-F693 WeakPolarHBondContact O-CE2 3.39Å; M682-F693 HydrophobicContact CE-CB 3.95Å; M682-F693 HydrophobicContact CE-CD2 3.79Å; M682-F693 HydrophobicContact CE-CG 4.31Å; A689-F693 WeakPolarHBondContact O-CB 3.48Å; A689-F693 PolarHBondContact O-N 2.71Å; F693-R695 VanDerWaalsContact C-N 3.32Å; F693-R695 PolarHBondContact O-N 3.39Å; F693-F696 HydrophobicContact CE2-CD1 4.34Å; F693-F696 PolarHBondContact O-N 3.22Å; F693-I697 HydrophobicContact CD1-CG1 3.9Å; F693-I697 HydrophobicContact CE1-CD1 4.12Å; F693-I697 HydrophobicContact CE1-CG1 3.46Å; F693-I697 VanDerWaalsContact CE1-CG1 3.46Å; F693-I697 HydrophobicContact CE2-CG1 4.45Å; F693-I697 HydrophobicContact CZ-CD1 3.96Å; F693-I697 HydrophobicContact CZ-CG1 3.8Å; F693-I697 PolarHBondContact O-N 3.44Å; F693-L713 WeakPolarHBondContact CD1-O 3.5Å; F693-L713 WeakPolarHBondContact CE1-O 3.39Å; F693-D714 HydrophobicContact CE1-CB 3.98Å
694	S	85	Confident	83.5	Confident	7 Å²	7	27.2 Å²	27.2	5%	0.049	18%	0.182	C	C	.	.	H	α-helix	trans	-59.7	-41.9	174.4	-60.1	0	0	0	0	112.1	L630 P690 S698 L713	L630-S694 VanDerWaalsContact CD2-OG 3.29Å; L630-S694 WeakPolarHBondContact CD2-OG 3.45Å; P690-S694 VanDerWaalsContact O-CB 3.24Å; P690-S694 WeakPolarHBondContact O-CB 3.5Å; P690-S694 PolarHBondContact O-N 2.89Å; P690-S694 PolarHBondContact O-OG 2.79Å; S694-S698 WeakPolarHBondContact O-CB 3.24Å; S694-S698 PolarHBondContact O-N 2.97Å; S694-S698 PolarHBondContact O-OG 2.91Å; S694-L713 WeakPolarHBondContact OG-CD2 3.48Å
695	R	85.1	Confident	82	Confident	90 Å²	90	24.2 Å²	24.2	34%	0.34	17%	0.169	S	C	.	.	H	α-helix	trans	-62.9	-44.1	175.8	-175.9	-177.6	-67.8	109.9	-1.5	111.7	D626 Y628 A691 S692 F693 G699	D626-R695 VanDerWaalsContact CG-NH2 3.29Å; D626-R695 IonicContact OD1-CZ 2.66Å; D626-R695 IonicContact OD1-NH1 3.81Å; D626-R695 IonicContact OD1-NH2 2.68Å; D626-R695 PolarHBondContact OD1-NH2 2.82Å; D626-R695 IonicContact OD2-CZ 2.93Å; D626-R695 IonicContact OD2-NH1 2.63Å; D626-R695 PolarHBondContact OD2-NH1 3.41Å; D626-R695 IonicContact OD2-NH2 2.8Å; D626-R695 PolarHBondContact OD2-NH2 2.9Å; Y628-R695 HydrophobicContact CD2-CB 4.02Å; Y628-R695 HydrophobicContact CD2-CG 4.4Å; Y628-R695 HydrophobicContact CE2-CB 3.83Å; Y628-R695 HydrophobicContact CE2-CG 4.03Å; A691-R695 VanDerWaalsContact O-CB 3.29Å; A691-R695 WeakPolarHBondContact O-CB 3.37Å; A691-R695 PolarHBondContact O-N 3.3Å; S692-R695 PolarHBondContact O-N 2.8Å; F693-R695 VanDerWaalsContact C-N 3.32Å; F693-R695 PolarHBondContact O-N 3.39Å; R695-G699 PolarHBondContact O-N 2.88Å
696	F	86.1	Confident	80.7	Confident	9 Å²	9	29.3 Å²	29.3	4%	0.039	18%	0.179	C	C	.	.	H	α-helix	trans	-62.1	-56.4	177	170.1	-116.6	0	0	0	112	H547 T549 L658 S692 F693 S698 G699 L700 L742	H547-F696 HydrophobicContact CB-CE2 3.92Å; H547-F696 HydrophobicContact CB-CZ 4.47Å; H547-F696 AromaticContact CD2-CE2 3.83Å; H547-F696 AromaticContact CD2-CZ 3.54Å; H547-F696 AromaticContact CE1-CZ 3.68Å; H547-F696 AromaticContact CG-CE2 3.61Å; H547-F696 AromaticContact CG-CZ 3.68Å; H547-F696 AromaticContact ND1-CE2 3.93Å; H547-F696 AromaticContact ND1-CZ 3.75Å; H547-F696 AromaticContact NE2-CZ 3.53Å; T549-F696 HydrophobicContact CG2-CB 4.2Å; L658-F696 HydrophobicContact CD1-CB 4.12Å; L658-F696 HydrophobicContact CD1-CD1 4Å; L658-F696 HydrophobicContact CD1-CD2 4.05Å; L658-F696 HydrophobicContact CD1-CE1 4.45Å; L658-F696 HydrophobicContact CD1-CG 3.78Å; S692-F696 WeakPolarHBondContact O-CB 3.34Å; S692-F696 PolarHBondContact O-N 2.82Å; F693-F696 HydrophobicContact CE2-CD1 4.34Å; F693-F696 PolarHBondContact O-N 3.22Å; F696-S698 VanDerWaalsContact C-N 3.32Å; F696-S698 PolarHBondContact O-N 3.34Å; F696-G699 PolarHBondContact O-N 3Å; F696-G699 VanDerWaalsContact O-N 3.17Å; F696-L700 HydrophobicContact CE1-CD1 4.19Å; F696-L700 HydrophobicContact CE2-CD1 3.8Å; F696-L700 HydrophobicContact CZ-CD1 3.51Å; F696-L700 VanDerWaalsContact O-CB 3.28Å; F696-L700 WeakPolarHBondContact O-CB 3.48Å; F696-L700 PolarHBondContact O-N 3.2Å; F696-L742 HydrophobicContact CE1-CD1 4.13Å; F696-L742 HydrophobicContact CE1-CD2 3.86Å; F696-L742 HydrophobicContact CZ-CD1 4.22Å; F696-L742 HydrophobicContact CZ-CD2 3.94Å; F696-L742 HydrophobicContact CZ-CG 4.44Å
697	I	84.5	Confident	79.7	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-66.5	-32.9	-178.5	-61.2	-59.2	0	0	0	112	L651 F693 L701 A711 L742	L651-I697 HydrophobicContact CD1-CD1 3.61Å; L651-I697 HydrophobicContact CD1-CG1 4.29Å; F693-I697 HydrophobicContact CD1-CG1 3.9Å; F693-I697 HydrophobicContact CE1-CD1 4.12Å; F693-I697 HydrophobicContact CE1-CG1 3.46Å; F693-I697 VanDerWaalsContact CE1-CG1 3.46Å; F693-I697 HydrophobicContact CE2-CG1 4.45Å; F693-I697 HydrophobicContact CZ-CD1 3.96Å; F693-I697 HydrophobicContact CZ-CG1 3.8Å; F693-I697 PolarHBondContact O-N 3.44Å; I697-L701 HydrophobicContact CG2-CD1 3.7Å; I697-L701 HydrophobicContact CG2-CG 4.33Å; I697-L701 WeakPolarHBondContact O-CB 3.35Å; I697-L701 PolarHBondContact O-N 2.75Å; I697-A711 HydrophobicContact CG2-CB 3.51Å; I697-L742 HydrophobicContact CD1-CD1 4.17Å
698	S	79.9	Confident	79.5	Confident	28 Å²	28	39.7 Å²	39.7	20%	0.196	21%	0.212	C	C	.	.	H	α-helix	trans	-67.3	-39.5	171.8	-66.9	0	0	0	0	113.4	Y628 S694 F696 S702 K705	Y628-S698 WeakPolarHBondContact OH-CB 3.29Å; Y628-S698 PolarHBondContact OH-OG 2.64Å; S694-S698 WeakPolarHBondContact O-CB 3.24Å; S694-S698 PolarHBondContact O-N 2.97Å; S694-S698 PolarHBondContact O-OG 2.91Å; F696-S698 VanDerWaalsContact C-N 3.32Å; F696-S698 PolarHBondContact O-N 3.34Å; S698-S702 WeakPolarHBondContact O-CA 3.42Å; S698-S702 WeakPolarHBondContact O-CB 3.24Å; S698-S702 PolarHBondContact O-N 3.29Å; S698-K705 PolarHBondContact OG-NZ 3.07Å
699	G	80.2	Confident	79.3	Confident	50 Å²	50	39.2 Å²	39.2	52%	0.515	21%	0.21	S	C	.	.	H	α-helix	trans	-76.5	-20.3	176.8	0	0	0	0	0	114.3	R695 F696	R695-G699 PolarHBondContact O-N 2.88Å; F696-G699 PolarHBondContact O-N 3Å; F696-G699 VanDerWaalsContact O-N 3.17Å
700	L	81.6	Confident	79.1	Confident	19 Å²	19	39.7 Å²	39.7	10%	0.099	21%	0.212	C	C	.	.	H	α-helix	trans	-84.7	-43	176.7	-179.1	151.5	0	0	0	111.7	F696 V736 L737 N740 L742	F696-L700 HydrophobicContact CE1-CD1 4.19Å; F696-L700 HydrophobicContact CE2-CD1 3.8Å; F696-L700 HydrophobicContact CZ-CD1 3.51Å; F696-L700 VanDerWaalsContact O-CB 3.28Å; F696-L700 WeakPolarHBondContact O-CB 3.48Å; F696-L700 PolarHBondContact O-N 3.2Å; L700-V736 HydrophobicContact CD2-CG1 3.74Å; L700-V736 HydrophobicContact CG-CG1 4.3Å; L700-V736 WeakPolarHBondContact O-CG1 3.25Å; L700-L737 HydrophobicContact CD2-CD2 4.14Å; L700-N740 HydrophobicContact CD1-CB 3.49Å; L700-N740 VanDerWaalsContact CD1-CB 3.49Å; L700-N740 HydrophobicContact CG-CB 4.24Å; L700-L742 HydrophobicContact CD1-CD1 3.59Å; L700-L742 HydrophobicContact CD1-CG 4.39Å; L700-L742 HydrophobicContact CD2-CD1 4.3Å
701	L	81.6	Confident	79	Confident	2 Å²	2	37.8 Å²	37.8	1%	0.01	20%	0.2	C	C	.	.	S	Bend	trans	-91.7	10	179.3	-63.3	174.5	0	0	0	113.6	I697 G703 A704 K705 A711 I716 V733 V736	I697-L701 HydrophobicContact CG2-CD1 3.7Å; I697-L701 HydrophobicContact CG2-CG 4.33Å; I697-L701 WeakPolarHBondContact O-CB 3.35Å; I697-L701 PolarHBondContact O-N 2.75Å; L701-G703 VanDerWaalsContact C-N 3.29Å; L701-G703 PolarHBondContact O-N 3.02Å; L701-G703 VanDerWaalsContact O-N 3.15Å; L701-A704 CarbonylContact O-C 3.58Å; L701-A704 WeakPolarHBondContact O-CA 3.36Å; L701-A704 WeakPolarHBondContact O-CB 3.32Å; L701-A704 PolarHBondContact O-N 2.93Å; L701-K705 HydrophobicContact CB-CD 4.16Å; L701-K705 HydrophobicContact CB-CG 3.9Å; L701-K705 VanDerWaalsContact O-CB 3.32Å; L701-K705 WeakPolarHBondContact O-CB 3.4Å; L701-K705 PolarHBondContact O-N 3.47Å; L701-A711 HydrophobicContact CD1-CB 3.76Å; L701-I716 HydrophobicContact CD1-CD1 4.09Å; L701-I716 HydrophobicContact CD1-CG1 4.16Å; L701-I716 HydrophobicContact CD1-CG2 4.17Å; L701-V733 HydrophobicContact CD2-CG1 4.14Å; L701-V736 HydrophobicContact CD2-CG1 4.22Å
702	S	70.6	Confident	78.6	Confident	69 Å²	69	39.5 Å²	39.5	48%	0.483	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-37.9	-168.9	60.8	0	0	0	0	114.2	S698 A704	S698-S702 WeakPolarHBondContact O-CA 3.42Å; S698-S702 WeakPolarHBondContact O-CB 3.24Å; S698-S702 PolarHBondContact O-N 3.29Å; S702-A704 VanDerWaalsContact C-N 3.27Å; S702-A704 PolarHBondContact O-N 3.2Å
703	G	64.6	Low	78.1	Confident	29 Å²	29	40.8 Å²	40.8	30%	0.299	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-21.9	176.1	0	0	0	0	0	114.7	P431 L701	P431-G703 WeakPolarHBondContact O-CA 3.48Å; L701-G703 VanDerWaalsContact C-N 3.29Å; L701-G703 PolarHBondContact O-N 3.02Å; L701-G703 VanDerWaalsContact O-N 3.15Å
704	A	62.6	Low	77.7	Confident	7 Å²	7	42.9 Å²	42.9	6%	0.058	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-25.7	178.6	0	0	0	0	0	113.3	L701 S702 E706 Y708 C709 V733	L701-A704 CarbonylContact O-C 3.58Å; L701-A704 WeakPolarHBondContact O-CA 3.36Å; L701-A704 WeakPolarHBondContact O-CB 3.32Å; L701-A704 PolarHBondContact O-N 2.93Å; S702-A704 VanDerWaalsContact C-N 3.27Å; S702-A704 PolarHBondContact O-N 3.2Å; A704-E706 VanDerWaalsContact C-N 3.25Å; A704-E706 PolarHBondContact O-N 2.92Å; A704-E706 VanDerWaalsContact O-N 3.12Å; A704-Y708 WeakPolarHBondContact CA-OH 3.12Å; A704-Y708 HydrophobicContact CB-CE1 4.41Å; A704-Y708 HydrophobicContact CB-CE2 3.97Å; A704-Y708 WeakPolarHBondContact CB-OH 3.41Å; A704-C709 HydrophobicContact CB-CB 4.12Å; A704-V733 HydrophobicContact CB-CG2 4.4Å
705	K	56.5	Low	77.5	Confident	38 Å²	38	44.2 Å²	44.2	17%	0.165	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-6.8	-159.4	-113	-172.8	179.9	-141.7	0	116.7	S698 L701 C709 A711	S698-K705 PolarHBondContact OG-NZ 3.07Å; L701-K705 HydrophobicContact CB-CD 4.16Å; L701-K705 HydrophobicContact CB-CG 3.9Å; L701-K705 VanDerWaalsContact O-CB 3.32Å; L701-K705 WeakPolarHBondContact O-CB 3.4Å; L701-K705 PolarHBondContact O-N 3.47Å; K705-C709 CarbonylContact C-O 3.54Å; K705-C709 VanDerWaalsContact CA-O 3.25Å; K705-C709 WeakPolarHBondContact CA-O 3.34Å; K705-A711 PolarHBondContact NZ-O 3.2Å
706	E	61.7	Low	77.7	Confident	157 Å²	157	40 Å²	40	73%	0.734	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.9	-4.1	-165.9	-58.4	-163.6	152.5	0	0	114.3	A704	A704-E706 VanDerWaalsContact C-N 3.25Å; A704-E706 PolarHBondContact O-N 2.92Å; A704-E706 VanDerWaalsContact O-N 3.12Å
707	R	71.5	Confident	78	Confident	226 Å²	226	39.5 Å²	39.5	85%	0.853	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-139.6	-41.8	178.8	-64.6	-170.8	-176.5	-173	0.8	116.7	H719	R707-H719 PolarHBondContact O-CE1 3.23Å; R707-H719 VanDerWaalsContact O-CE1 3.31Å
708	Y	86.1	Confident	78.4	Confident	24 Å²	24	39.5 Å²	39.5	9%	0.094	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.2	-2.8	-167.3	65.8	-99.7	0	0	0	114.1	A704 I718 H719 K729 E732 V733	A704-Y708 WeakPolarHBondContact CA-OH 3.12Å; A704-Y708 HydrophobicContact CB-CE1 4.41Å; A704-Y708 HydrophobicContact CB-CE2 3.97Å; A704-Y708 WeakPolarHBondContact CB-OH 3.41Å; Y708-I718 HydrophobicContact CD2-CG2 4.4Å; Y708-I718 CarbonylContact O-C 3.52Å; Y708-I718 WeakPolarHBondContact O-CA 3.32Å; Y708-H719 WeakPolarHBondContact CB-O 3.33Å; Y708-H719 PolarHBondContact O-CD2 3Å; Y708-H719 VanDerWaalsContact O-CD2 3.3Å; Y708-H719 PolarHBondContact O-N 3.18Å; Y708-K729 HydrophobicContact CD1-CD 3.98Å; Y708-K729 HydrophobicContact CD1-CG 4.07Å; Y708-K729 HydrophobicContact CD2-CB 3.57Å; Y708-K729 HydrophobicContact CD2-CD 4.22Å; Y708-K729 HydrophobicContact CD2-CG 3.79Å; Y708-K729 HydrophobicContact CE1-CD 3.67Å; Y708-K729 HydrophobicContact CE1-CG 4.22Å; Y708-K729 HydrophobicContact CE2-CB 3.65Å; Y708-K729 HydrophobicContact CE2-CD 3.94Å; Y708-K729 HydrophobicContact CE2-CG 3.96Å; Y708-K729 HydrophobicContact CG-CB 4.16Å; Y708-K729 HydrophobicContact CG-CD 4.25Å; Y708-K729 HydrophobicContact CG-CG 3.87Å; Y708-E732 PolarHBondContact OH-OE1 3.38Å; Y708-V733 HydrophobicContact CE2-CG2 4.08Å
709	C	88.2	Confident	79	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.007	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	121.8	-174.7	-178.1	0	0	0	0	109.6	A704 K705 L717 I718 V733	A704-C709 HydrophobicContact CB-CB 4.12Å; K705-C709 CarbonylContact C-O 3.54Å; K705-C709 VanDerWaalsContact CA-O 3.25Å; K705-C709 WeakPolarHBondContact CA-O 3.34Å; C709-L717 CarbonylContact C-O 3.59Å; C709-L717 WeakPolarHBondContact CA-O 3.41Å; C709-I718 HydrophobicContact CB-CG1 4.48Å; C709-V733 HydrophobicContact CB-CG2 4.39Å
710	I	86.2	Confident	79.6	Confident	11 Å²	11	36.3 Å²	36.3	6%	0.056	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	127.1	176.9	-50.1	180	0	0	0	107.1	V636 R639 L640 L717 Y758	V636-I710 HydrophobicContact CG1-CD1 4.05Å; V636-I710 HydrophobicContact CG1-CG2 3.94Å; V636-I710 HydrophobicContact CG2-CG2 4.11Å; R639-I710 HydrophobicContact CB-CD1 3.89Å; L640-I710 HydrophobicContact CD2-CD1 3.75Å; L640-I710 HydrophobicContact CG-CD1 4.41Å; I710-L717 PolarHBondContact N-O 3.18Å; I710-L717 PolarHBondContact O-N 3.35Å; I710-Y758 PolarHBondContact O-OH 3.23Å
711	A	83.8	Confident	80	Confident	8 Å²	8	38.1 Å²	38.1	7%	0.066	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	121.4	171.6	0	0	0	0	0	110.7	I697 L701 K705 D715 I716	I697-A711 HydrophobicContact CG2-CB 3.51Å; L701-A711 HydrophobicContact CD1-CB 3.76Å; K705-A711 PolarHBondContact NZ-O 3.2Å; A711-D715 WeakPolarHBondContact CA-O 3.27Å; A711-I716 HydrophobicContact CB-CB 4.3Å; A711-I716 HydrophobicContact CB-CG1 3.76Å; A711-I716 HydrophobicContact CB-CG2 4.4Å
712	Y	79.5	Confident	80.5	Confident	48 Å²	48	40.9 Å²	40.9	19%	0.188	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	105.2	-179.1	-171	-78.1	0	0	0	108	L630 P631 D714 D715 L759	L630-Y712 HydrophobicContact CB-CE2 4.46Å; P631-Y712 HydrophobicContact CG-CD2 4Å; P631-Y712 HydrophobicContact CG-CE2 4.36Å; Y712-D714 PolarHBondContact O-N 2.93Å; Y712-D714 VanDerWaalsContact O-N 3.16Å; Y712-D715 PolarHBondContact N-O 2.94Å; Y712-D715 PolarHBondContact O-N 3.21Å; Y712-L759 HydrophobicContact CD1-CD2 3.51Å; Y712-L759 HydrophobicContact CD2-CD1 3.87Å; Y712-L759 HydrophobicContact CD2-CD2 4.11Å; Y712-L759 HydrophobicContact CE1-CD2 4.01Å; Y712-L759 HydrophobicContact CE2-CD1 4.31Å; Y712-L759 HydrophobicContact CG-CD1 4.11Å; Y712-L759 HydrophobicContact CG-CD2 3.57Å; Y712-L759 HydrophobicContact CG-CG 4.5Å
713	L	77.8	Confident	81.6	Confident	32 Å²	32	38.4 Å²	38.4	17%	0.168	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	-115.1	-168.8	-60.8	165.5	0	0	0	111.2	L630 P690 F693 S694	L630-L713 HydrophobicContact CD2-CD2 4.18Å; L630-L713 HydrophobicContact CD2-CG 4.37Å; P690-L713 HydrophobicContact CB-CD2 3.6Å; P690-L713 WeakPolarHBondContact O-CD2 3.41Å; F693-L713 WeakPolarHBondContact CD1-O 3.5Å; F693-L713 WeakPolarHBondContact CE1-O 3.39Å; S694-L713 WeakPolarHBondContact OG-CD2 3.48Å
714	D	78.3	Confident	83	Confident	45 Å²	45	42 Å²	42	24%	0.241	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	-11.6	-177.3	45.7	-24.5	0	0	0	115	F693 Y712	F693-D714 HydrophobicContact CE1-CB 3.98Å; Y712-D714 PolarHBondContact O-N 2.93Å; Y712-D714 VanDerWaalsContact O-N 3.16Å
715	D	81.1	Confident	84.4	Confident	35 Å²	35	46.3 Å²	46.3	19%	0.187	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	117	171.4	-83.1	-19.7	0	0	0	110.6	K648 A711 Y712 Y758	K648-D715 WeakPolarHBondContact CE-OD1 3.37Å; K648-D715 VanDerWaalsContact CE-OD2 3.31Å; K648-D715 WeakPolarHBondContact CE-OD2 3.4Å; K648-D715 IonicContact NZ-OD1 3.46Å; K648-D715 PolarHBondContact NZ-OD1 2.88Å; K648-D715 IonicContact NZ-OD2 3.43Å; K648-D715 PolarHBondContact NZ-OD2 2.85Å; A711-D715 WeakPolarHBondContact CA-O 3.27Å; Y712-D715 PolarHBondContact N-O 2.94Å; Y712-D715 PolarHBondContact O-N 3.21Å; D715-Y758 HydrophobicContact CB-CE2 4.02Å
716	I	89.4	Confident	86.2	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	122.7	169.6	-57	164.9	0	0	0	108.5	K648 L649 L651 L701 A711 L737	K648-I716 CarbonylContact C-O 3.54Å; K648-I716 WeakPolarHBondContact CA-O 3.45Å; L649-I716 HydrophobicContact CB-CB 4.24Å; L649-I716 PolarHBondContact N-O 2.81Å; L649-I716 PolarHBondContact O-N 3.37Å; L651-I716 HydrophobicContact CD1-CD1 4.07Å; L651-I716 HydrophobicContact CG-CD1 4.29Å; L701-I716 HydrophobicContact CD1-CD1 4.09Å; L701-I716 HydrophobicContact CD1-CG1 4.16Å; L701-I716 HydrophobicContact CD1-CG2 4.17Å; A711-I716 HydrophobicContact CB-CB 4.3Å; A711-I716 HydrophobicContact CB-CG1 3.76Å; A711-I716 HydrophobicContact CB-CG2 4.4Å; I716-L737 HydrophobicContact CD1-CD1 4.44Å; I716-L737 HydrophobicContact CD1-CD2 4.05Å
717	L	92	Very high	87.7	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	125.3	172.6	176	63.6	0	0	0	110.4	L640 F646 S647 C709 I710 T756 Y758	L640-L717 HydrophobicContact CD1-CD2 3.91Å; L640-L717 HydrophobicContact CD2-CD2 3.7Å; L640-L717 HydrophobicContact CG-CD2 4.5Å; F646-L717 HydrophobicContact CB-CD1 4.15Å; F646-L717 HydrophobicContact CD1-CD1 4.27Å; S647-L717 WeakPolarHBondContact O-CA 3.14Å; C709-L717 CarbonylContact C-O 3.59Å; C709-L717 WeakPolarHBondContact CA-O 3.41Å; I710-L717 PolarHBondContact N-O 3.18Å; I710-L717 PolarHBondContact O-N 3.35Å; L717-T756 HydrophobicContact CD1-CG2 4.03Å; L717-T756 HydrophobicContact CD2-CG2 4.49Å; L717-Y758 HydrophobicContact CB-CD1 4.44Å; L717-Y758 HydrophobicContact CB-CD2 4Å; L717-Y758 HydrophobicContact CB-CE1 4.08Å; L717-Y758 HydrophobicContact CB-CE2 3.64Å; L717-Y758 HydrophobicContact CB-CG 4.4Å; L717-Y758 HydrophobicContact CD2-CD1 3.4Å; L717-Y758 VanDerWaalsContact CD2-CD1 3.4Å; L717-Y758 HydrophobicContact CD2-CD2 4.07Å; L717-Y758 HydrophobicContact CD2-CE1 3.68Å; L717-Y758 HydrophobicContact CD2-CE2 4.33Å; L717-Y758 HydrophobicContact CD2-CG 3.61Å
718	I	93.1	Very high	88.7	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	138.2	169.3	-62.5	149.9	0	0	0	107.8	F646 S647 L649 Y708 C709 K729 L730 V733	F646-I718 CarbonylContact C-O 3.49Å; F646-I718 VanDerWaalsContact CA-O 3.3Å; F646-I718 WeakPolarHBondContact CA-O 3.34Å; S647-I718 PolarHBondContact N-O 2.91Å; S647-I718 PolarHBondContact O-N 3.17Å; L649-I718 HydrophobicContact CD1-CD1 3.78Å; L649-I718 HydrophobicContact CG-CD1 4.36Å; Y708-I718 HydrophobicContact CD2-CG2 4.4Å; Y708-I718 CarbonylContact O-C 3.52Å; Y708-I718 WeakPolarHBondContact O-CA 3.32Å; C709-I718 HydrophobicContact CB-CG1 4.48Å; I718-K729 HydrophobicContact CG2-CB 4.47Å; I718-L730 HydrophobicContact CD1-CD1 3.52Å; I718-V733 HydrophobicContact CD1-CB 3.93Å; I718-V733 HydrophobicContact CD1-CG1 4.03Å; I718-V733 HydrophobicContact CD1-CG2 4.03Å; I718-V733 HydrophobicContact CG1-CG2 4.12Å
719	H	92.7	Very high	89	Confident	8 Å²	8	34 Å²	34	4%	0.037	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	134.4	-176.9	65.2	97.7	0	0	0	111.2	R639 L640 S643 Y645 F646 R707 Y708	R639-H719 PolarHBondContact O-CE1 2.82Å; L640-H719 HydrophobicContact CD2-CB 3.92Å; S643-H719 PolarHBondContact OG-ND1 2.99Å; Y645-H719 VanDerWaalsContact O-CA 3.3Å; Y645-H719 WeakPolarHBondContact O-CA 3.18Å; F646-H719 HydrophobicContact CD1-CB 3.65Å; F646-H719 HydrophobicContact CE1-CB 3.75Å; R707-H719 PolarHBondContact O-CE1 3.23Å; R707-H719 VanDerWaalsContact O-CE1 3.31Å; Y708-H719 WeakPolarHBondContact CB-O 3.33Å; Y708-H719 PolarHBondContact O-CD2 3Å; Y708-H719 VanDerWaalsContact O-CD2 3.3Å; Y708-H719 PolarHBondContact O-N 3.18Å
720	T	92.9	Very high	89.3	Confident	4 Å²	4	34 Å²	34	3%	0.025	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	160.5	-177.7	60.7	0	0	0	0	112.1	S643 K644 Y645 D722 Q725 H726 K729	S643-T720 CarbonylContact C-O 3.56Å; S643-T720 WeakPolarHBondContact CA-O 3.44Å; K644-T720 PolarHBondContact N-O 3.2Å; Y645-T720 PolarHBondContact N-O 2.93Å; Y645-T720 PolarHBondContact O-N 3.1Å; T720-D722 PolarHBondContact OG1-O 3.05Å; T720-Q725 HydrophobicContact CG2-CB 4.38Å; T720-H726 HydrophobicContact CG2-CB 4.46Å; T720-H726 WeakPolarHBondContact OG1-CA 3.39Å; T720-H726 WeakPolarHBondContact OG1-CB 3.37Å; T720-H726 VanDerWaalsContact OG1-CG 3.32Å; T720-H726 PolarHBondContact OG1-N 3.19Å; T720-H726 PolarHBondContact OG1-ND1 3.45Å; T720-K729 HydrophobicContact CG2-CB 4.29Å; T720-K729 HydrophobicContact CG2-CG 4.3Å
721	P	91	Very high	89.7	Confident	57 Å²	57	39.2 Å²	39.2	37%	0.37	20%	0.196	S	C	.	.	S	Bend	trans	-78.8	-21.9	-178.6	31.4	-37.1	0	0	0	114.9	K644	K644-P721 WeakPolarHBondContact CB-O 3.13Å; K644-P721 WeakPolarHBondContact CD-O 3.31Å; K644-P721 WeakPolarHBondContact CG-O 3.49Å
722	D	92.1	Very high	90	Very high	60 Å²	60	41 Å²	41	32%	0.321	20%	0.203	S	C	.	.	S	Bend	trans	-144.5	165.9	-178	71.1	75.8	0	0	0	112.5	T720 E724 Q725 H726	T720-D722 PolarHBondContact OG1-O 3.05Å; D722-E724 PolarHBondContact OD1-N 3.21Å; D722-Q725 WeakPolarHBondContact OD1-CB 3.4Å; D722-Q725 PolarHBondContact OD1-N 2.79Å; D722-Q725 WeakPolarHBondContact OD2-CG 3.42Å; D722-Q725 PolarHBondContact OD2-NE2 3.27Å; D722-H726 WeakPolarHBondContact O-CB 3.37Å; D722-H726 PolarHBondContact O-N 3.33Å
723	Y	93.2	Very high	90.6	Very high	17 Å²	17	38.8 Å²	38.8	7%	0.067	19%	0.194	C	C	.	.	H	α-helix	trans	-69.5	-43.1	-171.2	168.6	-100.4	0	0	0	114.6	L517 E521 G524 L525 Y645 H726 R727	L517-Y723 HydrophobicContact CD2-CD2 4.35Å; E521-Y723 HydrophobicContact CB-CD1 4.37Å; E521-Y723 HydrophobicContact CB-CD2 3.8Å; E521-Y723 HydrophobicContact CB-CE1 4.13Å; E521-Y723 HydrophobicContact CB-CE2 3.56Å; E521-Y723 HydrophobicContact CB-CG 4.21Å; E521-Y723 HydrophobicContact CG-CD1 3.71Å; E521-Y723 HydrophobicContact CG-CD2 3.79Å; E521-Y723 HydrophobicContact CG-CE1 3.85Å; E521-Y723 HydrophobicContact CG-CE2 3.96Å; E521-Y723 HydrophobicContact CG-CG 3.68Å; E521-Y723 PolarHBondContact O-OH 3.07Å; E521-Y723 WeakPolarHBondContact OE1-CB 3.1Å; G524-Y723 WeakPolarHBondContact CA-OH 3.47Å; L525-Y723 HydrophobicContact CD1-CE2 4.2Å; L525-Y723 HydrophobicContact CD2-CE2 4.17Å; L525-Y723 HydrophobicContact CG-CE2 3.9Å; Y645-Y723 HydrophobicContact CE1-CD2 4.3Å; Y645-Y723 VanDerWaalsContact CE2-N 3.32Å; Y723-H726 WeakPolarHBondContact O-CA 3.4Å; Y723-H726 VanDerWaalsContact O-CB 3.28Å; Y723-H726 WeakPolarHBondContact O-CB 3.08Å; Y723-H726 PolarHBondContact O-N 3.01Å; Y723-H726 VanDerWaalsContact O-N 3.09Å; Y723-R727 HydrophobicContact CE2-CB 4.44Å; Y723-R727 WeakPolarHBondContact O-CB 3.25Å; Y723-R727 PolarHBondContact O-N 2.82Å; Y723-R727 WeakPolarHBondContact OH-CD 3.4Å
724	E	92.8	Very high	91.3	Very high	104 Å²	104	37.2 Å²	37.2	49%	0.486	19%	0.186	S	C	.	.	H	α-helix	trans	-73.3	-34.9	-176.5	-71.5	-62	163.9	0	0	110.7	D722 H726 R727 A728	D722-E724 PolarHBondContact OD1-N 3.21Å; E724-H726 VanDerWaalsContact C-N 3.33Å; E724-R727 PolarHBondContact O-N 3.28Å; E724-R727 IonicContact OE1-NH1 3.85Å; E724-R727 VanDerWaalsContact OE2-CD 3.29Å; E724-R727 WeakPolarHBondContact OE2-CD 3.42Å; E724-R727 IonicContact OE2-NH1 3.77Å; E724-R727 PolarHBondContact OE2-NH1 3.29Å; E724-R727 VanDerWaalsContact OE2-NH1 3.09Å; E724-A728 VanDerWaalsContact O-CB 3.26Å; E724-A728 WeakPolarHBondContact O-CB 3.32Å; E724-A728 PolarHBondContact O-N 3.2Å
725	Q	92.3	Very high	91.9	Very high	97 Å²	97	40.1 Å²	40.1	45%	0.453	19%	0.194	S	C	.	.	H	α-helix	trans	-58.8	-45.1	164.1	-73.8	-164.8	69.1	0	0	111.3	T720 D722 R727 A728 K729	T720-Q725 HydrophobicContact CG2-CB 4.38Å; D722-Q725 WeakPolarHBondContact OD1-CB 3.4Å; D722-Q725 PolarHBondContact OD1-N 2.79Å; D722-Q725 WeakPolarHBondContact OD2-CG 3.42Å; D722-Q725 PolarHBondContact OD2-NE2 3.27Å; Q725-R727 PolarHBondContact O-N 3.33Å; Q725-A728 PolarHBondContact O-N 2.7Å; Q725-K729 WeakPolarHBondContact O-CB 3.19Å; Q725-K729 WeakPolarHBondContact O-CG 3.45Å; Q725-K729 PolarHBondContact O-N 3.44Å
726	H	94.1	Very high	92.3	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-58.1	-47.2	178.9	-154.9	52.9	0	0	0	112.6	Y645 F646 S647 T720 D722 Y723 E724 K729 L730	Y645-H726 VanDerWaalsContact C-CE1 3.44Å; Y645-H726 VanDerWaalsContact CB-CG 3.49Å; Y645-H726 HydrophobicContact CG-CB 4.37Å; Y645-H726 PolarHBondContact O-CE1 3.08Å; Y645-H726 VanDerWaalsContact O-CE1 3.28Å; Y645-H726 PolarHBondContact O-ND1 2.94Å; F646-H726 VanDerWaalsContact C-CE1 3.41Å; F646-H726 PolarHBondContact O-NE2 3.22Å; S647-H726 PolarHBondContact N-CE1 3.49Å; S647-H726 PolarHBondContact N-NE2 3.38Å; S647-H726 PolarHBondContact OG-NE2 2.87Å; T720-H726 HydrophobicContact CG2-CB 4.46Å; T720-H726 WeakPolarHBondContact OG1-CA 3.39Å; T720-H726 WeakPolarHBondContact OG1-CB 3.37Å; T720-H726 VanDerWaalsContact OG1-CG 3.32Å; T720-H726 PolarHBondContact OG1-N 3.19Å; T720-H726 PolarHBondContact OG1-ND1 3.45Å; D722-H726 WeakPolarHBondContact O-CB 3.37Å; D722-H726 PolarHBondContact O-N 3.33Å; Y723-H726 WeakPolarHBondContact O-CA 3.4Å; Y723-H726 VanDerWaalsContact O-CB 3.28Å; Y723-H726 WeakPolarHBondContact O-CB 3.08Å; Y723-H726 PolarHBondContact O-N 3.01Å; Y723-H726 VanDerWaalsContact O-N 3.09Å; E724-H726 VanDerWaalsContact C-N 3.33Å; H726-K729 PolarHBondContact O-N 2.86Å; H726-L730 WeakPolarHBondContact O-CB 3.39Å; H726-L730 PolarHBondContact O-N 3.04Å
727	R	94.2	Very high	92.3	Very high	76 Å²	76	39.8 Å²	39.8	29%	0.287	19%	0.193	S	C	.	.	H	α-helix	trans	-66	-43.6	-179.7	-172	-167.3	-176.4	-154.6	-5.4	111.5	G524 L525 L528 Y723 E724 Q725 K731	G524-R727 PolarHBondContact O-NE 3.19Å; G524-R727 VanDerWaalsContact O-NE 3.11Å; L525-R727 HydrophobicContact CD2-CG 4.37Å; L528-R727 HydrophobicContact CD2-CG 4.22Å; L528-R727 WeakPolarHBondContact CD2-O 3.44Å; Y723-R727 HydrophobicContact CE2-CB 4.44Å; Y723-R727 WeakPolarHBondContact O-CB 3.25Å; Y723-R727 PolarHBondContact O-N 2.82Å; Y723-R727 WeakPolarHBondContact OH-CD 3.4Å; E724-R727 PolarHBondContact O-N 3.28Å; E724-R727 IonicContact OE1-NH1 3.85Å; E724-R727 VanDerWaalsContact OE2-CD 3.29Å; E724-R727 WeakPolarHBondContact OE2-CD 3.42Å; E724-R727 IonicContact OE2-NH1 3.77Å; E724-R727 PolarHBondContact OE2-NH1 3.29Å; E724-R727 VanDerWaalsContact OE2-NH1 3.09Å; Q725-R727 PolarHBondContact O-N 3.33Å; R727-K731 WeakPolarHBondContact O-CB 3.43Å; R727-K731 PolarHBondContact O-N 3.22Å
728	A	92.6	Very high	92	Very high	53 Å²	53	41.3 Å²	41.3	44%	0.438	20%	0.204	S	C	.	.	H	α-helix	trans	-62.4	-43.1	175.1	0	0	0	0	0	111.9	E724 Q725 K731 E732	E724-A728 VanDerWaalsContact O-CB 3.26Å; E724-A728 WeakPolarHBondContact O-CB 3.32Å; E724-A728 PolarHBondContact O-N 3.2Å; Q725-A728 PolarHBondContact O-N 2.7Å; A728-K731 WeakPolarHBondContact O-CB 3.2Å; A728-K731 PolarHBondContact O-N 3.42Å; A728-E732 PolarHBondContact O-N 2.97Å
729	K	92.9	Very high	91.7	Very high	58 Å²	58	46.6 Å²	46.6	25%	0.252	23%	0.228	S	C	.	.	H	α-helix	trans	-76.4	-31.5	179.9	-66.5	-42.1	-174.4	176	0	113.9	Y708 I718 T720 Q725 H726 E732 V733	Y708-K729 HydrophobicContact CD1-CD 3.98Å; Y708-K729 HydrophobicContact CD1-CG 4.07Å; Y708-K729 HydrophobicContact CD2-CB 3.57Å; Y708-K729 HydrophobicContact CD2-CD 4.22Å; Y708-K729 HydrophobicContact CD2-CG 3.79Å; Y708-K729 HydrophobicContact CE1-CD 3.67Å; Y708-K729 HydrophobicContact CE1-CG 4.22Å; Y708-K729 HydrophobicContact CE2-CB 3.65Å; Y708-K729 HydrophobicContact CE2-CD 3.94Å; Y708-K729 HydrophobicContact CE2-CG 3.96Å; Y708-K729 HydrophobicContact CG-CB 4.16Å; Y708-K729 HydrophobicContact CG-CD 4.25Å; Y708-K729 HydrophobicContact CG-CG 3.87Å; I718-K729 HydrophobicContact CG2-CB 4.47Å; T720-K729 HydrophobicContact CG2-CB 4.29Å; T720-K729 HydrophobicContact CG2-CG 4.3Å; Q725-K729 WeakPolarHBondContact O-CB 3.19Å; Q725-K729 WeakPolarHBondContact O-CG 3.45Å; Q725-K729 PolarHBondContact O-N 3.44Å; H726-K729 PolarHBondContact O-N 2.86Å; K729-E732 VanDerWaalsContact CD-OE2 3.28Å; K729-E732 WeakPolarHBondContact CD-OE2 3.21Å; K729-E732 IonicContact NZ-OE1 2.75Å; K729-E732 IonicContact NZ-OE2 2.67Å; K729-E732 PolarHBondContact NZ-OE2 3Å; K729-E732 PolarHBondContact O-N 3.27Å; K729-V733 WeakPolarHBondContact O-CG2 3.39Å; K729-V733 PolarHBondContact O-N 2.79Å
730	L	93.3	Very high	91.1	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-63.3	-41.4	167.8	-174.9	63.9	0	0	0	111.2	L525 L528 L649 I718 H726 V733 F734 L751	L525-L730 HydrophobicContact CD2-CD2 3.79Å; L528-L730 HydrophobicContact CD2-CB 4.07Å; L528-L730 HydrophobicContact CD2-CD2 3.96Å; L528-L730 HydrophobicContact CD2-CG 4Å; L649-L730 HydrophobicContact CD1-CD1 4.32Å; L649-L730 HydrophobicContact CD2-CD1 4.29Å; I718-L730 HydrophobicContact CD1-CD1 3.52Å; H726-L730 WeakPolarHBondContact O-CB 3.39Å; H726-L730 PolarHBondContact O-N 3.04Å; L730-V733 PolarHBondContact O-N 3.06Å; L730-F734 HydrophobicContact CD1-CD1 3.99Å; L730-F734 HydrophobicContact CD1-CE1 3.46Å; L730-F734 VanDerWaalsContact CD1-CE1 3.46Å; L730-F734 HydrophobicContact CD1-CE2 4.32Å; L730-F734 HydrophobicContact CD1-CZ 3.65Å; L730-F734 HydrophobicContact CD2-CE2 4.24Å; L730-F734 HydrophobicContact CD2-CZ 4.07Å; L730-F734 HydrophobicContact CG-CD1 4.38Å; L730-F734 HydrophobicContact CG-CD2 4.37Å; L730-F734 HydrophobicContact CG-CE1 4.02Å; L730-F734 HydrophobicContact CG-CE2 3.98Å; L730-F734 HydrophobicContact CG-CZ 3.8Å; L730-F734 WeakPolarHBondContact O-CB 3.5Å; L730-F734 WeakPolarHBondContact O-CG 3.46Å; L730-F734 PolarHBondContact O-N 2.89Å; L730-L751 HydrophobicContact CD1-CD2 4.19Å; L730-L751 HydrophobicContact CD2-CD2 4.11Å
731	K	93.9	Very high	90.6	Very high	122 Å²	122	50.6 Å²	50.6	53%	0.53	26%	0.258	S	S	.	.	H	α-helix	trans	-61.8	-41.4	173.2	-175.3	176.1	-177.9	-177.8	0	112.2	L528 F532 R727 A728 R735	L528-K731 HydrophobicContact CD1-CB 3.59Å; L528-K731 HydrophobicContact CD1-CD 4.14Å; L528-K731 HydrophobicContact CD1-CG 3.68Å; L528-K731 HydrophobicContact CD2-CB 4.08Å; F532-K731 HydrophobicContact CE2-CG 4.15Å; R727-K731 WeakPolarHBondContact O-CB 3.43Å; R727-K731 PolarHBondContact O-N 3.22Å; A728-K731 WeakPolarHBondContact O-CB 3.2Å; A728-K731 PolarHBondContact O-N 3.42Å; K731-R735 WeakPolarHBondContact O-CB 3.25Å; K731-R735 PolarHBondContact O-N 3.28Å
732	E	91.2	Very high	90.4	Very high	45 Å²	45	48 Å²	48	21%	0.21	24%	0.241	C	C	.	.	H	α-helix	trans	-61.4	-46.3	176.3	-161.7	176	136.3	0	0	111.4	Y708 A728 K729 R735 V736	Y708-E732 PolarHBondContact OH-OE1 3.38Å; A728-E732 PolarHBondContact O-N 2.97Å; K729-E732 VanDerWaalsContact CD-OE2 3.28Å; K729-E732 WeakPolarHBondContact CD-OE2 3.21Å; K729-E732 IonicContact NZ-OE1 2.75Å; K729-E732 IonicContact NZ-OE2 2.67Å; K729-E732 PolarHBondContact NZ-OE2 3Å; K729-E732 PolarHBondContact O-N 3.27Å; E732-R735 PolarHBondContact O-N 3.27Å; E732-V736 WeakPolarHBondContact O-CG2 3.43Å; E732-V736 PolarHBondContact O-N 2.96Å; E732-V736 VanDerWaalsContact O-N 3.12Å
733	V	91.8	Very high	90.3	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.006	23%	0.232	C	C	.	.	H	α-helix	trans	-69.3	-43.2	177.3	175.2	0	0	0	0	112.3	L649 L701 A704 Y708 C709 I718 K729 L730 R735 V736 L737	L649-V733 HydrophobicContact CD1-CG1 4.13Å; L701-V733 HydrophobicContact CD2-CG1 4.14Å; A704-V733 HydrophobicContact CB-CG2 4.4Å; Y708-V733 HydrophobicContact CE2-CG2 4.08Å; C709-V733 HydrophobicContact CB-CG2 4.39Å; I718-V733 HydrophobicContact CD1-CB 3.93Å; I718-V733 HydrophobicContact CD1-CG1 4.03Å; I718-V733 HydrophobicContact CD1-CG2 4.03Å; I718-V733 HydrophobicContact CG1-CG2 4.12Å; K729-V733 WeakPolarHBondContact O-CG2 3.39Å; K729-V733 PolarHBondContact O-N 2.79Å; L730-V733 PolarHBondContact O-N 3.06Å; V733-R735 VanDerWaalsContact C-N 3.3Å; V733-R735 PolarHBondContact O-N 3.25Å; V733-V736 PolarHBondContact O-N 2.92Å; V733-L737 HydrophobicContact CG1-CD1 3.98Å; V733-L737 HydrophobicContact CG1-CG 4.18Å; V733-L737 WeakPolarHBondContact O-CG 3.43Å; V733-L737 PolarHBondContact O-N 3.46Å
734	F	93	Very high	90.1	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-57.2	-43	174.7	-77.5	-0.4	0	0	0	111.6	L528 V529 F532 L535 F536 L649 L730 L737 S738 L744 L751	L528-F734 HydrophobicContact CD1-CD2 4.4Å; L528-F734 HydrophobicContact CG-CD2 4.13Å; L528-F734 HydrophobicContact CG-CE2 4.24Å; V529-F734 HydrophobicContact CG2-CE2 4.1Å; V529-F734 HydrophobicContact CG2-CZ 4.48Å; F532-F734 HydrophobicContact CB-CB 4.46Å; F532-F734 HydrophobicContact CB-CD2 4.25Å; F532-F734 HydrophobicContact CD1-CB 4.09Å; F532-F734 HydrophobicContact CD2-CB 3.89Å; F532-F734 AromaticContact CD2-CD2 3.94Å; F532-F734 HydrophobicContact CD2-CD2 3.94Å; F532-F734 HydrophobicContact CD2-CG 4.43Å; F532-F734 HydrophobicContact CE1-CB 4.3Å; F532-F734 HydrophobicContact CE2-CB 4.11Å; F532-F734 HydrophobicContact CG-CB 3.89Å; F532-F734 HydrophobicContact CG-CD2 4.24Å; F532-F734 HydrophobicContact CG-CG 4.5Å; F532-F734 HydrophobicContact CZ-CB 4.3Å; L535-F734 HydrophobicContact CD1-CB 3.8Å; L535-F734 HydrophobicContact CD1-CD1 4.03Å; L535-F734 HydrophobicContact CD1-CG 3.89Å; F536-F734 HydrophobicContact CZ-CE1 4.35Å; F536-F734 HydrophobicContact CZ-CE2 4.35Å; F536-F734 AromaticContact CZ-CZ 3.92Å; F536-F734 HydrophobicContact CZ-CZ 3.92Å; L649-F734 HydrophobicContact CD1-CD1 4.22Å; L649-F734 HydrophobicContact CD1-CE1 3.86Å; L649-F734 HydrophobicContact CD2-CE1 3.89Å; L649-F734 HydrophobicContact CD2-CZ 4.49Å; L730-F734 HydrophobicContact CD1-CD1 3.99Å; L730-F734 HydrophobicContact CD1-CE1 3.46Å; L730-F734 VanDerWaalsContact CD1-CE1 3.46Å; L730-F734 HydrophobicContact CD1-CE2 4.32Å; L730-F734 HydrophobicContact CD1-CZ 3.65Å; L730-F734 HydrophobicContact CD2-CE2 4.24Å; L730-F734 HydrophobicContact CD2-CZ 4.07Å; L730-F734 HydrophobicContact CG-CD1 4.38Å; L730-F734 HydrophobicContact CG-CD2 4.37Å; L730-F734 HydrophobicContact CG-CE1 4.02Å; L730-F734 HydrophobicContact CG-CE2 3.98Å; L730-F734 HydrophobicContact CG-CZ 3.8Å; L730-F734 WeakPolarHBondContact O-CB 3.5Å; L730-F734 WeakPolarHBondContact O-CG 3.46Å; L730-F734 PolarHBondContact O-N 2.89Å; F734-L737 PolarHBondContact O-N 3.39Å; F734-S738 WeakPolarHBondContact O-CB 3.46Å; F734-S738 PolarHBondContact O-N 2.82Å; F734-L744 HydrophobicContact CD1-CD1 4.22Å; F734-L744 HydrophobicContact CE1-CD1 3.86Å; F734-L751 HydrophobicContact CZ-CD1 4.35Å; F734-L751 HydrophobicContact CZ-CD2 4.26Å
735	R	90.9	Very high	89.9	Confident	105 Å²	105	42.5 Å²	42.5	40%	0.396	21%	0.213	S	C	.	.	H	α-helix	trans	-58.8	-48.9	173.8	-176.2	179.4	69	87.2	-3.2	111.9	F532 K731 E732 V733 L737 S738 E739	F532-R735 HydrophobicContact CE1-CB 4.21Å; F532-R735 HydrophobicContact CZ-CB 4.15Å; K731-R735 WeakPolarHBondContact O-CB 3.25Å; K731-R735 PolarHBondContact O-N 3.28Å; E732-R735 PolarHBondContact O-N 3.27Å; V733-R735 VanDerWaalsContact C-N 3.3Å; V733-R735 PolarHBondContact O-N 3.25Å; R735-L737 PolarHBondContact O-N 3.45Å; R735-S738 WeakPolarHBondContact O-CB 3.47Å; R735-S738 PolarHBondContact O-N 2.83Å; R735-E739 VanDerWaalsContact CD-OE1 3.29Å; R735-E739 WeakPolarHBondContact CD-OE1 3.46Å; R735-E739 HydrophobicContact CG-CG 4.29Å; R735-E739 WeakPolarHBondContact CG-OE1 3.46Å; R735-E739 IonicContact CZ-OE1 3.92Å; R735-E739 IonicContact NE-OE1 2.69Å; R735-E739 VanDerWaalsContact NH1-CD 3.31Å; R735-E739 IonicContact NH1-OE1 3.26Å; R735-E739 PolarHBondContact NH1-OE1 3.16Å; R735-E739 IonicContact NH1-OE2 3.84Å; R735-E739 PolarHBondContact NH1-OE2 2.8Å; R735-E739 WeakPolarHBondContact O-CB 3.41Å; R735-E739 WeakPolarHBondContact O-CG 3.24Å; R735-E739 PolarHBondContact O-N 2.95Å
736	V	88.5	Confident	89.6	Confident	28 Å²	28	37.9 Å²	37.9	17%	0.17	19%	0.192	C	C	.	.	H	α-helix	trans	-65.5	-39.3	-178.9	174	0	0	0	0	112.2	L700 L701 E732 V733 N740	L700-V736 HydrophobicContact CD2-CG1 3.74Å; L700-V736 HydrophobicContact CG-CG1 4.3Å; L700-V736 WeakPolarHBondContact O-CG1 3.25Å; L701-V736 HydrophobicContact CD2-CG1 4.22Å; E732-V736 WeakPolarHBondContact O-CG2 3.43Å; E732-V736 PolarHBondContact O-N 2.96Å; E732-V736 VanDerWaalsContact O-N 3.12Å; V733-V736 PolarHBondContact O-N 2.92Å; V736-N740 PolarHBondContact O-N 2.86Å; V736-N740 PolarHBondContact O-ND2 2.99Å
737	L	88.9	Confident	89.1	Confident	1 Å²	1	41.7 Å²	41.7	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-63.5	-41.6	173.1	-66.9	175.8	0	0	0	111.6	L535 L649 L651 L700 I716 V733 F734 R735 N740 G741 L742 L744	L535-L737 HydrophobicContact CD2-CB 4.09Å; L649-L737 HydrophobicContact CD1-CD1 4.17Å; L651-L737 HydrophobicContact CD2-CD2 4.38Å; L700-L737 HydrophobicContact CD2-CD2 4.14Å; I716-L737 HydrophobicContact CD1-CD1 4.44Å; I716-L737 HydrophobicContact CD1-CD2 4.05Å; V733-L737 HydrophobicContact CG1-CD1 3.98Å; V733-L737 HydrophobicContact CG1-CG 4.18Å; V733-L737 WeakPolarHBondContact O-CG 3.43Å; V733-L737 PolarHBondContact O-N 3.46Å; F734-L737 PolarHBondContact O-N 3.39Å; R735-L737 PolarHBondContact O-N 3.45Å; L737-N740 PolarHBondContact O-N 2.93Å; L737-G741 PolarHBondContact O-N 3.21Å; L737-L742 HydrophobicContact CD2-CB 4.44Å; L737-L742 HydrophobicContact CD2-CD1 3.64Å; L737-L742 PolarHBondContact O-N 2.98Å; L737-L744 HydrophobicContact CD1-CD1 4.09Å; L737-L744 HydrophobicContact CD1-CD2 3.99Å; L737-L744 HydrophobicContact CD1-CG 4.22Å
738	S	87.7	Confident	88.8	Confident	32 Å²	32	43.4 Å²	43.4	22%	0.224	23%	0.225	C	C	.	.	H	α-helix	trans	-64.7	-51.3	179.5	170.2	0	0	0	0	112.2	H534 F734 R735 N740 G741	H534-S738 PolarHBondContact NE2-OG 3.25Å; F734-S738 WeakPolarHBondContact O-CB 3.46Å; F734-S738 PolarHBondContact O-N 2.82Å; R735-S738 WeakPolarHBondContact O-CB 3.47Å; R735-S738 PolarHBondContact O-N 2.83Å; S738-N740 PolarHBondContact O-N 2.91Å; S738-N740 VanDerWaalsContact O-N 3.15Å; S738-G741 PolarHBondContact O-N 3.4Å
739	E	84.9	Confident	88.7	Confident	111 Å²	111	40.9 Å²	40.9	52%	0.519	20%	0.204	S	C	.	.	H	α-helix	trans	-61.8	-22	179.4	-74.5	176.2	-164.3	0	0	113.3	R735	R735-E739 VanDerWaalsContact CD-OE1 3.29Å; R735-E739 WeakPolarHBondContact CD-OE1 3.46Å; R735-E739 HydrophobicContact CG-CG 4.29Å; R735-E739 WeakPolarHBondContact CG-OE1 3.46Å; R735-E739 IonicContact CZ-OE1 3.92Å; R735-E739 IonicContact NE-OE1 2.69Å; R735-E739 VanDerWaalsContact NH1-CD 3.31Å; R735-E739 IonicContact NH1-OE1 3.26Å; R735-E739 PolarHBondContact NH1-OE1 3.16Å; R735-E739 IonicContact NH1-OE2 3.84Å; R735-E739 PolarHBondContact NH1-OE2 2.8Å; R735-E739 WeakPolarHBondContact O-CB 3.41Å; R735-E739 WeakPolarHBondContact O-CG 3.24Å; R735-E739 PolarHBondContact O-N 2.95Å
740	N	81.8	Confident	88.6	Confident	60 Å²	60	40.2 Å²	40.2	32%	0.321	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	4.5	175.8	-73.8	-90.3	0	0	0	113.6	H547 L700 V736 L737 S738 L742	H547-N740 PolarHBondContact CE1-O 3.1Å; H547-N740 PolarHBondContact ND1-O 2.94Å; L700-N740 HydrophobicContact CD1-CB 3.49Å; L700-N740 VanDerWaalsContact CD1-CB 3.49Å; L700-N740 HydrophobicContact CG-CB 4.24Å; V736-N740 PolarHBondContact O-N 2.86Å; V736-N740 PolarHBondContact O-ND2 2.99Å; L737-N740 PolarHBondContact O-N 2.93Å; S738-N740 PolarHBondContact O-N 2.91Å; S738-N740 VanDerWaalsContact O-N 3.15Å; N740-L742 VanDerWaalsContact C-N 3.35Å; N740-L742 PolarHBondContact O-N 3.46Å
741	G	81.9	Confident	88.6	Confident	36 Å²	36	40.2 Å²	40.2	37%	0.371	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.1	12.8	174.2	0	0	0	0	0	115.8	L737 S738 R743	L737-G741 PolarHBondContact O-N 3.21Å; S738-G741 PolarHBondContact O-N 3.4Å; G741-R743 PolarHBondContact O-NH1 3.01Å
742	L	87.1	Confident	88.5	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.005	18%	0.18	C	C	.	.			trans	-73.7	165	-178.3	-65.7	177.6	0	0	0	112.7	L651 Q657 F696 I697 L700 L737 N740	L651-L742 HydrophobicContact CD2-CB 4.11Å; L651-L742 HydrophobicContact CD2-CD1 4.19Å; Q657-L742 HydrophobicContact CB-CD2 3.97Å; Q657-L742 VanDerWaalsContact OE1-CA 3.3Å; F696-L742 HydrophobicContact CE1-CD1 4.13Å; F696-L742 HydrophobicContact CE1-CD2 3.86Å; F696-L742 HydrophobicContact CZ-CD1 4.22Å; F696-L742 HydrophobicContact CZ-CD2 3.94Å; F696-L742 HydrophobicContact CZ-CG 4.44Å; I697-L742 HydrophobicContact CD1-CD1 4.17Å; L700-L742 HydrophobicContact CD1-CD1 3.59Å; L700-L742 HydrophobicContact CD1-CG 4.39Å; L700-L742 HydrophobicContact CD2-CD1 4.3Å; L737-L742 HydrophobicContact CD2-CB 4.44Å; L737-L742 HydrophobicContact CD2-CD1 3.64Å; L737-L742 PolarHBondContact O-N 2.98Å; N740-L742 VanDerWaalsContact C-N 3.35Å; N740-L742 PolarHBondContact O-N 3.46Å
743	R	88.3	Confident	88.6	Confident	37 Å²	37	33 Å²	33	14%	0.14	18%	0.175	C	C	.	.			trans	-128.6	139.5	174.6	-63	-64.5	-179.8	-92	0.8	112.6	H534 L535 P538 L539 L651 R652 Q657 G741	H534-R743 WeakPolarHBondContact O-CD 3.34Å; H534-R743 PolarHBondContact O-NE 2.95Å; H534-R743 VanDerWaalsContact O-NE 3.16Å; L535-R743 CarbonylContact O-C 3.53Å; L535-R743 VanDerWaalsContact O-CA 3.27Å; L535-R743 WeakPolarHBondContact O-CA 3.48Å; L535-R743 WeakPolarHBondContact O-CD 3.42Å; P538-R743 WeakPolarHBondContact O-CD 3.49Å; P538-R743 PolarHBondContact O-NE 3.33Å; L539-R743 HydrophobicContact CD2-CB 3.92Å; L539-R743 HydrophobicContact CD2-CG 3.76Å; L651-R743 WeakPolarHBondContact CD2-O 3.24Å; R652-R743 HydrophobicContact CB-CB 4.04Å; R652-R743 PolarHBondContact N-O 2.85Å; Q657-R743 PolarHBondContact NE2-O 2.84Å; G741-R743 PolarHBondContact O-NH1 3.01Å
744	L	90.3	Very high	88.6	Confident	1 Å²	1	36 Å²	36	1%	0.005	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-98.4	155.4	175	-69.3	178.3	0	0	0	111.1	L535 F536 L649 D650 L651 F734 L737 P746	L535-L744 HydrophobicContact CD1-CD1 4.28Å; L535-L744 PolarHBondContact O-N 3.44Å; F536-L744 HydrophobicContact CD1-CB 3.79Å; F536-L744 HydrophobicContact CE1-CB 3.68Å; F536-L744 HydrophobicContact CE1-CD1 3.69Å; F536-L744 HydrophobicContact CE1-CG 4.35Å; F536-L744 HydrophobicContact CZ-CD1 3.89Å; L649-L744 HydrophobicContact CB-CD2 3.8Å; L649-L744 HydrophobicContact CD1-CD1 4.26Å; L649-L744 HydrophobicContact CD2-CD1 4.35Å; D650-L744 CarbonylContact O-C 3.52Å; D650-L744 WeakPolarHBondContact O-CA 3.35Å; L651-L744 HydrophobicContact CD2-CD2 4.03Å; F734-L744 HydrophobicContact CD1-CD1 4.22Å; F734-L744 HydrophobicContact CE1-CD1 3.86Å; L737-L744 HydrophobicContact CD1-CD1 4.09Å; L737-L744 HydrophobicContact CD1-CD2 3.99Å; L737-L744 HydrophobicContact CD1-CG 4.22Å; L744-P746 WeakPolarHBondContact O-CD 3.45Å
745	N	87.8	Confident	88.4	Confident	28 Å²	28	40.7 Å²	40.7	15%	0.15	21%	0.21	C	C	.	.			trans	-102.2	100.8	177.1	-175.8	12.9	0	0	0	110.2	D650 R652 T747 K748 C749	D650-N745 HydrophobicContact CB-CB 4.31Å; D650-N745 PolarHBondContact O-N 2.9Å; D650-N745 VanDerWaalsContact OD2-CB 3.3Å; D650-N745 WeakPolarHBondContact OD2-CB 3.4Å; D650-N745 PolarHBondContact OD2-ND2 3.01Å; R652-N745 HydrophobicContact CB-CB 4.28Å; R652-N745 HydrophobicContact CG-CB 4.46Å; N745-T747 VanDerWaalsContact C-N 3.29Å; N745-T747 PolarHBondContact O-N 2.82Å; N745-T747 PolarHBondContact OD1-OG1 3.43Å; N745-K748 WeakPolarHBondContact ND2-CD 3.43Å; N745-K748 PolarHBondContact O-N 3.33Å; N745-K748 VanDerWaalsContact O-N 3.11Å; N745-C749 PolarHBondContact O-N 3.44Å; N745-C749 PolarHBondContact O-SG 3.38Å; N745-C749 VanDerWaalsContact O-SG 3.34Å
746	P	86.7	Confident	88.3	Confident	1 Å²	1	36.1 Å²	36.1	1%	0.006	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-58	-38.7	-168.6	21.2	-32.2	0	0	0	113.2	Q510 L511 F536 L744 K748 C749	Q510-P746 HydrophobicContact CB-CB 4.14Å; Q510-P746 HydrophobicContact CB-CG 4.39Å; Q510-P746 CarbonylContact O-C 3.6Å; L511-P746 HydrophobicContact CD2-CB 4.25Å; L511-P746 HydrophobicContact CG-CB 3.95Å; F536-P746 HydrophobicContact CB-CB 4.3Å; F536-P746 HydrophobicContact CB-CG 4.27Å; F536-P746 HydrophobicContact CD1-CB 3.98Å; F536-P746 HydrophobicContact CG-CB 4.46Å; L744-P746 WeakPolarHBondContact O-CD 3.45Å; P746-K748 PolarHBondContact O-N 2.99Å; P746-K748 VanDerWaalsContact O-N 3.1Å; P746-C749 PolarHBondContact O-N 3.05Å
747	T	84.1	Confident	88.2	Confident	80 Å²	80	38.2 Å²	38.2	49%	0.491	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-68.1	-8.2	-177.9	57.4	0	0	0	0	115.4	Q510 N745	Q510-T747 HydrophobicContact CB-CG2 4.04Å; N745-T747 VanDerWaalsContact C-N 3.29Å; N745-T747 PolarHBondContact O-N 2.82Å; N745-T747 PolarHBondContact OD1-OG1 3.43Å
748	K	86.7	Confident	88.1	Confident	112 Å²	112	38.2 Å²	38.2	49%	0.487	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-120.4	-12.3	175.6	-71.8	-177.2	-172.1	169.1	0	113.7	D650 N745 P746	D650-K748 HydrophobicContact CB-CB 3.71Å; D650-K748 HydrophobicContact CB-CD 3.85Å; D650-K748 WeakPolarHBondContact OD1-CD 3.38Å; D650-K748 IonicContact OD1-NZ 3.53Å; D650-K748 PolarHBondContact OD1-NZ 3.16Å; D650-K748 VanDerWaalsContact OD2-CD 3.25Å; D650-K748 WeakPolarHBondContact OD2-CD 3.39Å; D650-K748 IonicContact OD2-NZ 3.53Å; D650-K748 PolarHBondContact OD2-NZ 3.19Å; N745-K748 WeakPolarHBondContact ND2-CD 3.43Å; N745-K748 PolarHBondContact O-N 3.33Å; N745-K748 VanDerWaalsContact O-N 3.11Å; P746-K748 PolarHBondContact O-N 2.99Å; P746-K748 VanDerWaalsContact O-N 3.1Å
749	C	91	Very high	87.7	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.203	C	C	.	.			trans	-75.3	129.7	175.5	-72.5	0	0	0	0	109.3	L511 C512 K648 L649 D650 N745 P746	L511-C749 HydrophobicContact CD2-CB 3.39Å; C512-C749 PolarHBondContact N-O 3.25Å; K648-C749 CarbonylContact O-C 3.59Å; K648-C749 VanDerWaalsContact O-CA 3.29Å; K648-C749 WeakPolarHBondContact O-CA 3.43Å; L649-C749 HydrophobicContact CD2-CB 4.35Å; D650-C749 PolarHBondContact N-SG 3.15Å; D650-C749 VanDerWaalsContact N-SG 3.38Å; N745-C749 PolarHBondContact O-N 3.44Å; N745-C749 PolarHBondContact O-SG 3.38Å; N745-C749 VanDerWaalsContact O-SG 3.34Å; P746-C749 PolarHBondContact O-N 3.05Å
750	V	91.8	Very high	87.2	Confident	43 Å²	43	33.2 Å²	33.2	26%	0.261	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	121.7	178.2	-175.8	0	0	0	0	108	C512 S647 K648 T753	C512-V750 HydrophobicContact CB-CB 4.47Å; C512-V750 HydrophobicContact CB-CG1 4.47Å; C512-V750 HydrophobicContact CB-CG2 4.08Å; C512-V750 CarbonylContact O-C 3.58Å; C512-V750 WeakPolarHBondContact O-CA 3.17Å; S647-V750 CarbonylContact C-O 3.53Å; S647-V750 WeakPolarHBondContact CA-O 3.4Å; K648-V750 PolarHBondContact N-O 3.17Å; K648-V750 PolarHBondContact O-N 2.9Å; V750-T753 HydrophobicContact CG1-CG2 3.82Å
751	L	93.2	Very high	87.2	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	129.4	-172.2	-56	-176.6	0	0	0	112.2	L511 C512 Y513 G514 L525 V529 S647 L649 L730 F734	L511-L751 HydrophobicContact CD1-CD1 4.38Å; L511-L751 HydrophobicContact CD2-CD1 4.2Å; L511-L751 HydrophobicContact CD2-CG 4.43Å; C512-L751 PolarHBondContact O-N 2.96Å; Y513-L751 CarbonylContact C-O 3.5Å; Y513-L751 WeakPolarHBondContact CA-O 3.31Å; Y513-L751 HydrophobicContact CD1-CB 4.21Å; Y513-L751 HydrophobicContact CE1-CB 4.37Å; Y513-L751 HydrophobicContact CE1-CD1 4.09Å; G514-L751 PolarHBondContact N-O 2.72Å; L525-L751 HydrophobicContact CD1-CB 4.49Å; V529-L751 HydrophobicContact CG2-CD1 3.45Å; V529-L751 VanDerWaalsContact CG2-CD1 3.45Å; S647-L751 WeakPolarHBondContact OG-CA 3.33Å; L649-L751 HydrophobicContact CD2-CD2 3.53Å; L730-L751 HydrophobicContact CD1-CD2 4.19Å; L730-L751 HydrophobicContact CD2-CD2 4.11Å; F734-L751 HydrophobicContact CZ-CD1 4.35Å; F734-L751 HydrophobicContact CZ-CD2 4.26Å
752	G	91.6	Very high	87.4	Confident	1 Å²	1	30.5 Å²	30.5	1%	0.01	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	65.1	41.3	170.3	0	0	0	0	0	115.1	L517 F646 S647	L517-G752 WeakPolarHBondContact CD1-O 3.49Å; L517-G752 VanDerWaalsContact CD2-O 3.27Å; L517-G752 WeakPolarHBondContact CD2-O 3.46Å; L517-G752 WeakPolarHBondContact CG-O 3.31Å; F646-G752 CarbonylContact O-C 3.59Å; F646-G752 WeakPolarHBondContact O-CA 3.43Å; F646-G752 PolarHBondContact O-N 3.44Å; F646-G752 VanDerWaalsContact O-N 3.11Å; S647-G752 PolarHBondContact OG-N 3.28Å
753	T	92.9	Very high	87.5	Confident	16 Å²	16	30.5 Å²	30.5	10%	0.098	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	148.7	176.8	-176.8	0	0	0	0	111.9	F646 V750 E755	F646-T753 HydrophobicContact CB-CG2 4.19Å; F646-T753 PolarHBondContact N-O 3.44Å; F646-T753 PolarHBondContact O-N 3.15Å; V750-T753 HydrophobicContact CG1-CG2 3.82Å; T753-E755 WeakPolarHBondContact CB-O 3.49Å; T753-E755 WeakPolarHBondContact CG2-O 3.44Å; T753-E755 PolarHBondContact OG1-N 3.36Å; T753-E755 PolarHBondContact OG1-O 2.82Å
754	H	90.7	Very high	87.6	Confident	62 Å²	62	30.3 Å²	30.3	29%	0.287	16%	0.161	S	C	.	.	S	Bend	trans	-82	-20.3	174.5	-65.8	-39.4	0	0	0	113.7	L516 K644 Y645 F646	L516-H754 VanDerWaalsContact CB-CD2 3.46Å; L516-H754 WeakPolarHBondContact CB-CD2 3.39Å; K644-H754 WeakPolarHBondContact O-CA 3.49Å; K644-H754 PolarHBondContact O-ND1 3.47Å; Y645-H754 AromaticContact CD1-CE1 3.96Å; Y645-H754 AromaticContact CD1-ND1 3.99Å; Y645-H754 AromaticContact CE1-CE1 3.4Å; Y645-H754 WeakPolarHBondContact CE1-CE1 3.31Å; Y645-H754 AromaticContact CE1-ND1 3.9Å; Y645-H754 AromaticContact CZ-CE1 3.53Å; F646-H754 WeakPolarHBondContact CD2-O 3.24Å; F646-H754 WeakPolarHBondContact CE2-O 3.31Å
755	E	89.6	Confident	87.3	Confident	100 Å²	100	32.6 Å²	32.6	47%	0.467	18%	0.18	S	C	.	.	S	Bend	trans	-127.6	144.1	175.6	63.4	174.9	178	0	0	109.4	T753 L762 V763 D764	T753-E755 WeakPolarHBondContact CB-O 3.49Å; T753-E755 WeakPolarHBondContact CG2-O 3.44Å; T753-E755 PolarHBondContact OG1-N 3.36Å; T753-E755 PolarHBondContact OG1-O 2.82Å; E755-L762 HydrophobicContact CB-CD1 4.09Å; E755-L762 HydrophobicContact CG-CD1 4.49Å; E755-V763 CarbonylContact C-O 3.56Å; E755-V763 VanDerWaalsContact CA-O 3.31Å; E755-V763 WeakPolarHBondContact CA-O 3.48Å; E755-D764 HydrophobicContact CB-CB 4.39Å
756	T	89.2	Confident	87.1	Confident	8 Å²	8	34.7 Å²	34.7	5%	0.049	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	144.1	179.8	-166.3	0	0	0	0	113.2	F646 L717 V763	F646-T756 HydrophobicContact CB-CG2 3.76Å; F646-T756 HydrophobicContact CD1-CG2 4.02Å; F646-T756 HydrophobicContact CD2-CG2 4.39Å; F646-T756 HydrophobicContact CG-CG2 3.79Å; L717-T756 HydrophobicContact CD1-CG2 4.03Å; L717-T756 HydrophobicContact CD2-CG2 4.49Å; T756-V763 PolarHBondContact N-O 3.19Å; T756-V763 PolarHBondContact O-N 2.91Å
757	T	86.8	Confident	87	Confident	73 Å²	73	34.7 Å²	34.7	45%	0.448	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	109.7	173.6	58.5	0	0	0	0	110.4	Y761 L762 E771	T757-Y761 CarbonylContact C-O 3.59Å; T757-Y761 WeakPolarHBondContact CA-O 3.5Å; T757-L762 HydrophobicContact CG2-CD1 4.25Å; T757-E771 HydrophobicContact CG2-CG 4.14Å
758	Y	85.3	Confident	87	Confident	1 Å²	1	31 Å²	31	0%	0.004	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	134.5	-178	-166.9	-123	0	0	0	112.1	V636 L640 I710 D715 L717 G760 Y761	V636-Y758 HydrophobicContact CG1-CD1 4.3Å; V636-Y758 HydrophobicContact CG1-CE1 3.6Å; L640-Y758 HydrophobicContact CD1-CD1 4.32Å; I710-Y758 PolarHBondContact O-OH 3.23Å; D715-Y758 HydrophobicContact CB-CE2 4.02Å; L717-Y758 HydrophobicContact CB-CD1 4.44Å; L717-Y758 HydrophobicContact CB-CD2 4Å; L717-Y758 HydrophobicContact CB-CE1 4.08Å; L717-Y758 HydrophobicContact CB-CE2 3.64Å; L717-Y758 HydrophobicContact CB-CG 4.4Å; L717-Y758 HydrophobicContact CD2-CD1 3.4Å; L717-Y758 VanDerWaalsContact CD2-CD1 3.4Å; L717-Y758 HydrophobicContact CD2-CD2 4.07Å; L717-Y758 HydrophobicContact CD2-CE1 3.68Å; L717-Y758 HydrophobicContact CD2-CE2 4.33Å; L717-Y758 HydrophobicContact CD2-CG 3.61Å; Y758-G760 PolarHBondContact O-N 2.7Å; Y758-Y761 PolarHBondContact N-O 2.9Å; Y758-Y761 PolarHBondContact O-N 3.28Å
759	L	79.1	Confident	86.9	Confident	28 Å²	28	27.3 Å²	27.3	15%	0.147	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	16.8	178.7	-58.9	-175.7	0	0	0	117.7	I633 V636 Y712 Y799	I633-L759 HydrophobicContact CG1-CD1 4.44Å; I633-L759 HydrophobicContact CG2-CB 4Å; I633-L759 HydrophobicContact CG2-CD1 4.24Å; V636-L759 HydrophobicContact CB-CD1 4.21Å; V636-L759 HydrophobicContact CG1-CD1 3.59Å; Y712-L759 HydrophobicContact CD1-CD2 3.51Å; Y712-L759 HydrophobicContact CD2-CD1 3.87Å; Y712-L759 HydrophobicContact CD2-CD2 4.11Å; Y712-L759 HydrophobicContact CE1-CD2 4.01Å; Y712-L759 HydrophobicContact CE2-CD1 4.31Å; Y712-L759 HydrophobicContact CG-CD1 4.11Å; Y712-L759 HydrophobicContact CG-CD2 3.57Å; Y712-L759 HydrophobicContact CG-CG 4.5Å; L759-Y799 PolarHBondContact O-OH 3.18Å
760	G	74.3	Confident	86.3	Confident	10 Å²	10	27.6 Å²	27.6	10%	0.103	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	113.7	3.7	178.3	0	0	0	0	0	115.6	Y758 E771 Y800	Y758-G760 PolarHBondContact O-N 2.7Å; G760-E771 WeakPolarHBondContact CA-OE1 3.48Å; G760-Y800 WeakPolarHBondContact O-CE1 3.29Å; G760-Y800 PolarHBondContact O-OH 2.76Å
761	Y	82.7	Confident	85.4	Confident	12 Å²	12	26.8 Å²	26.8	5%	0.047	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	154.5	-175.1	-56.4	-92.4	0	0	0	110.6	I633 L637 T757 Y758 V768 H769 E771 Y799 Y800 R802 F803	I633-Y761 HydrophobicContact CG2-CD2 4.4Å; I633-Y761 HydrophobicContact CG2-CE2 3.86Å; L637-Y761 HydrophobicContact CD1-CD2 3.95Å; L637-Y761 HydrophobicContact CD1-CE2 4.01Å; L637-Y761 HydrophobicContact CD1-CG 4.32Å; L637-Y761 HydrophobicContact CD2-CD2 4.38Å; T757-Y761 CarbonylContact C-O 3.59Å; T757-Y761 WeakPolarHBondContact CA-O 3.5Å; Y758-Y761 PolarHBondContact N-O 2.9Å; Y758-Y761 PolarHBondContact O-N 3.28Å; Y761-V768 HydrophobicContact CD1-CG1 3.71Å; Y761-V768 HydrophobicContact CG-CG1 3.76Å; Y761-H769 WeakPolarHBondContact CA-O 3.11Å; Y761-H769 WeakPolarHBondContact CB-O 3.48Å; Y761-E771 PolarHBondContact N-OE1 2.88Å; Y761-Y799 HydrophobicContact CE1-CE1 4.27Å; Y761-Y799 AromaticContact CE2-CE1 3.89Å; Y761-Y799 HydrophobicContact CE2-CE1 3.89Å; Y761-Y799 AromaticContact CE2-CZ 3.86Å; Y761-Y799 VanDerWaalsContact CE2-OH 3.29Å; Y761-Y799 WeakPolarHBondContact CE2-OH 3.36Å; Y761-Y799 AromaticContact CZ-CE1 3.67Å; Y761-Y799 AromaticContact CZ-CZ 3.99Å; Y761-Y800 HydrophobicContact CD1-CE1 4.43Å; Y761-Y800 HydrophobicContact CE1-CD1 4.41Å; Y761-Y800 HydrophobicContact CE1-CE1 4.37Å; Y761-R802 HydrophobicContact CE1-CG 4.43Å; Y761-F803 AromaticContact CD1-CE2 3.61Å; Y761-F803 HydrophobicContact CD1-CE2 3.61Å; Y761-F803 AromaticContact CD1-CZ 3.73Å; Y761-F803 HydrophobicContact CD1-CZ 3.73Å; Y761-F803 AromaticContact CE1-CE2 3.55Å; Y761-F803 HydrophobicContact CE1-CE2 3.55Å; Y761-F803 AromaticContact CE1-CZ 3.9Å; Y761-F803 HydrophobicContact CE1-CZ 3.9Å
762	L	86.5	Confident	84.5	Confident	27 Å²	27	30.5 Å²	30.5	14%	0.141	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	132.6	162.1	179.4	67.3	0	0	0	107.8	E755 T757 H769	E755-L762 HydrophobicContact CB-CD1 4.09Å; E755-L762 HydrophobicContact CG-CD1 4.49Å; T757-L762 HydrophobicContact CG2-CD1 4.25Å; L762-H769 HydrophobicContact CB-CB 4.29Å; L762-H769 PolarHBondContact N-O 3.08Å; L762-H769 PolarHBondContact O-N 3.02Å
763	V	88.7	Confident	83.5	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	134.7	179.6	-173.6	0	0	0	0	109.4	L637 L640 F646 E755 T756 V768	L637-V763 HydrophobicContact CD2-CG2 3.8Å; L640-V763 HydrophobicContact CB-CG1 4.05Å; L640-V763 HydrophobicContact CD1-CB 4.27Å; L640-V763 HydrophobicContact CD1-CG1 3.81Å; L640-V763 HydrophobicContact CD1-CG2 4.02Å; F646-V763 HydrophobicContact CE1-CG1 4.45Å; F646-V763 HydrophobicContact CZ-CG1 4.26Å; E755-V763 CarbonylContact C-O 3.56Å; E755-V763 VanDerWaalsContact CA-O 3.31Å; E755-V763 WeakPolarHBondContact CA-O 3.48Å; T756-V763 PolarHBondContact N-O 3.19Å; T756-V763 PolarHBondContact O-N 2.91Å; V763-V768 HydrophobicContact CG2-CG1 4.28Å; V763-V768 HydrophobicContact CG2-CG2 4.43Å
764	D	89.7	Confident	82.3	Confident	33 Å²	33	40.9 Å²	40.9	18%	0.176	22%	0.221	C	C	.	.			trans	-133.8	-165.7	176.2	67.6	12.6	0	0	0	110.8	E755 V766 G767 H769 H849	E755-D764 HydrophobicContact CB-CB 4.39Å; D764-V766 VanDerWaalsContact C-N 3.3Å; D764-V766 PolarHBondContact O-N 3.34Å; D764-V766 WeakPolarHBondContact OD1-CA 3.31Å; D764-V766 WeakPolarHBondContact OD1-CB 3.46Å; D764-V766 PolarHBondContact OD1-N 3.36Å; D764-G767 PolarHBondContact N-O 2.93Å; D764-G767 PolarHBondContact OD1-N 3.32Å; D764-H769 VanDerWaalsContact CG-NE2 3.26Å; D764-H769 IonicContact OD1-NE2 3.89Å; D764-H769 PolarHBondContact OD1-NE2 3.36Å; D764-H769 IonicContact OD2-CD2 2.89Å; D764-H769 IonicContact OD2-CE1 3.35Å; D764-H769 IonicContact OD2-NE2 2.92Å; D764-H769 PolarHBondContact OD2-NE2 2.88Å; D764-H849 PolarHBondContact O-NE2 3.32Å
765	A	85.9	Confident	81.5	Confident	49 Å²	49	38.5 Å²	38.5	41%	0.405	21%	0.21	S	C	.	.	S	Bend	trans	-74.2	-13.5	176.9	0	0	0	0	0	115.1	S643 K644	S643-A765 VanDerWaalsContact O-CA 3.31Å; S643-A765 WeakPolarHBondContact O-CA 3.3Å; K644-A765 HydrophobicContact CB-CB 4.46Å; K644-A765 HydrophobicContact CG-CB 4.01Å
766	V	83.5	Confident	80.6	Confident	73 Å²	73	40.5 Å²	40.5	44%	0.442	22%	0.219	S	C	.	.	S	Bend	trans	-96.5	-36.9	-175.2	-175.3	0	0	0	0	111.2	D764 I846 H848	D764-V766 VanDerWaalsContact C-N 3.3Å; D764-V766 PolarHBondContact O-N 3.34Å; D764-V766 WeakPolarHBondContact OD1-CA 3.31Å; D764-V766 WeakPolarHBondContact OD1-CB 3.46Å; D764-V766 PolarHBondContact OD1-N 3.36Å; V766-I846 HydrophobicContact CG1-CD1 4.04Å; V766-I846 HydrophobicContact CG1-CG2 4.37Å; V766-H848 VanDerWaalsContact CG1-CE1 3.5Å; V766-H848 WeakPolarHBondContact CG1-CE1 3.17Å; V766-H848 PolarHBondContact O-ND1 3.04Å
767	G	83.2	Confident	79.5	Confident	0 Å²	0	43 Å²	43	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.2	-151.3	-178.3	0	0	0	0	0	114.5	D764 G847 H849	D764-G767 PolarHBondContact N-O 2.93Å; D764-G767 PolarHBondContact OD1-N 3.32Å; G767-G847 CarbonylContact C-O 3.3Å; G767-G847 WeakPolarHBondContact CA-O 3.36Å; G767-H849 VanDerWaalsContact CA-CD2 3.42Å; G767-H849 WeakPolarHBondContact CA-CD2 2.89Å; G767-H849 WeakPolarHBondContact CA-NE2 3.23Å; G767-H849 PolarHBondContact N-CD2 3.01Å; G767-H849 PolarHBondContact O-CE1 3.24Å; G767-H849 PolarHBondContact O-NE2 3.45Å
768	V	84.2	Confident	78.5	Confident	4 Å²	4	39.9 Å²	39.9	2%	0.024	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	136.4	177.1	-172.6	0	0	0	0	108.3	L637 Y761 V763 F803 G847	L637-V768 HydrophobicContact CB-CG2 4.21Å; L637-V768 HydrophobicContact CD1-CG1 4.12Å; L637-V768 HydrophobicContact CD2-CG1 3.9Å; L637-V768 HydrophobicContact CD2-CG2 4.03Å; Y761-V768 HydrophobicContact CD1-CG1 3.71Å; Y761-V768 HydrophobicContact CG-CG1 3.76Å; V763-V768 HydrophobicContact CG2-CG1 4.28Å; V763-V768 HydrophobicContact CG2-CG2 4.43Å; V768-F803 HydrophobicContact CB-CZ 4.42Å; V768-F803 HydrophobicContact CG1-CZ 4.03Å; V768-F803 WeakPolarHBondContact O-CE1 3.48Å; V768-G847 PolarHBondContact N-O 3Å; V768-G847 PolarHBondContact O-N 2.97Å
769	H	84	Confident	77.9	Confident	33 Å²	33	42 Å²	42	15%	0.153	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	158.2	-178.6	-46	-100	0	0	0	110.5	Y761 L762 D764	Y761-H769 WeakPolarHBondContact CA-O 3.11Å; Y761-H769 WeakPolarHBondContact CB-O 3.48Å; L762-H769 HydrophobicContact CB-CB 4.29Å; L762-H769 PolarHBondContact N-O 3.08Å; L762-H769 PolarHBondContact O-N 3.02Å; D764-H769 VanDerWaalsContact CG-NE2 3.26Å; D764-H769 IonicContact OD1-NE2 3.89Å; D764-H769 PolarHBondContact OD1-NE2 3.36Å; D764-H769 IonicContact OD2-CD2 2.89Å; D764-H769 IonicContact OD2-CE1 3.35Å; D764-H769 IonicContact OD2-NE2 2.92Å; D764-H769 PolarHBondContact OD2-NE2 2.88Å
770	P	78.8	Confident	77.7	Confident	6 Å²	6	44.5 Å²	44.5	4%	0.039	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	148.1	161.9	-21.7	34.3	0	0	0	112.4	P772 M775 Y800 F803 P844	P770-P772 WeakPolarHBondContact O-CD 3.12Å; P770-M775 HydrophobicContact CB-CE 3.57Å; P770-M775 HydrophobicContact CB-CG 3.58Å; P770-M775 HydrophobicContact CB-SD 3.37Å; P770-M775 WeakPolarHBondContact CB-SD 3.48Å; P770-M775 HydrophobicContact CG-CG 4.44Å; P770-M775 HydrophobicContact CG-SD 3.97Å; P770-Y800 HydrophobicContact CB-CD1 3.78Å; P770-Y800 HydrophobicContact CB-CE1 3.94Å; P770-Y800 HydrophobicContact CG-CD1 4.04Å; P770-F803 HydrophobicContact CG-CB 4.27Å; P770-F803 HydrophobicContact CG-CD2 3.43Å; P770-F803 VanDerWaalsContact CG-CD2 3.43Å; P770-F803 HydrophobicContact CG-CE2 3.77Å; P770-F803 HydrophobicContact CG-CG 3.94Å; P770-P844 HydrophobicContact CG-CB 3.82Å; P770-P844 HydrophobicContact CG-CG 3.73Å
771	E	73.8	Confident	77.6	Confident	26 Å²	26	46 Å²	46	12%	0.121	27%	0.265	C	S	.	.			trans	-69.8	126	170.8	-67.7	171.9	-141.4	0	0	110.7	T757 G760 Y761 E773 K774 M775	T757-E771 HydrophobicContact CG2-CG 4.14Å; G760-E771 WeakPolarHBondContact CA-OE1 3.48Å; Y761-E771 PolarHBondContact N-OE1 2.88Å; E771-E773 PolarHBondContact O-N 3.12Å; E771-K774 HydrophobicContact CB-CB 4.38Å; E771-K774 HydrophobicContact CB-CD 4.13Å; E771-K774 HydrophobicContact CB-CG 4.28Å; E771-K774 WeakPolarHBondContact O-CB 3.33Å; E771-K774 PolarHBondContact O-N 3.06Å; E771-K774 IonicContact OE1-NZ 3.12Å; E771-K774 PolarHBondContact OE1-NZ 3.18Å; E771-K774 WeakPolarHBondContact OE2-CD 3.41Å; E771-K774 WeakPolarHBondContact OE2-CE 3.44Å; E771-K774 IonicContact OE2-NZ 3.08Å; E771-K774 PolarHBondContact OE2-NZ 3.46Å; E771-M775 PolarHBondContact O-N 3.24Å
772	P	74	Confident	77.4	Confident	79 Å²	79	50.4 Å²	50.4	51%	0.513	30%	0.295	S	S	.	.	H	α-helix	trans	-55.4	-45.6	-175.3	-30.3	36.7	0	0	0	114.7	P770 K774 M775 E776	P770-P772 WeakPolarHBondContact O-CD 3.12Å; P772-K774 PolarHBondContact O-N 3.09Å; P772-K774 VanDerWaalsContact O-N 3.13Å; P772-M775 WeakPolarHBondContact O-CA 3.47Å; P772-M775 WeakPolarHBondContact O-CB 3.45Å; P772-M775 PolarHBondContact O-N 2.91Å; P772-E776 PolarHBondContact O-N 2.87Å
773	E	69.8	Low	77.5	Confident	156 Å²	156	55.6 Å²	55.6	73%	0.729	31%	0.312	S	S	*	.	H	α-helix	trans	-55.1	-34.6	177.1	-64.9	-172.1	-176.8	0	0	112.7	E771 A777	E771-E773 PolarHBondContact O-N 3.12Å; E773-A777 VanDerWaalsContact O-CB 3.22Å; E773-A777 WeakPolarHBondContact O-CB 3.44Å; E773-A777 PolarHBondContact O-N 3.45Å
774	K	68.2	Low	77.2	Confident	79 Å²	79	55.9 Å²	55.9	34%	0.343	32%	0.315	S	S	.	.	H	α-helix	trans	-77.8	-30.1	178.9	-66.3	177.9	-177.8	156.3	0	111.3	E771 P772 I778 Y800	E771-K774 HydrophobicContact CB-CB 4.38Å; E771-K774 HydrophobicContact CB-CD 4.13Å; E771-K774 HydrophobicContact CB-CG 4.28Å; E771-K774 WeakPolarHBondContact O-CB 3.33Å; E771-K774 PolarHBondContact O-N 3.06Å; E771-K774 IonicContact OE1-NZ 3.12Å; E771-K774 PolarHBondContact OE1-NZ 3.18Å; E771-K774 WeakPolarHBondContact OE2-CD 3.41Å; E771-K774 WeakPolarHBondContact OE2-CE 3.44Å; E771-K774 IonicContact OE2-NZ 3.08Å; E771-K774 PolarHBondContact OE2-NZ 3.46Å; P772-K774 PolarHBondContact O-N 3.09Å; P772-K774 VanDerWaalsContact O-N 3.13Å; K774-I778 WeakPolarHBondContact O-CB 3.42Å; K774-I778 VanDerWaalsContact O-CG1 3.28Å; K774-I778 WeakPolarHBondContact O-CG1 3.36Å; K774-I778 PolarHBondContact O-N 3.04Å; K774-Y800 WeakPolarHBondContact CD-OH 3.47Å
775	M	73.9	Confident	77.2	Confident	12 Å²	12	64 Å²	64	6%	0.059	34%	0.343	C	S	.	.	H	α-helix	trans	-72.1	-42.4	173.4	-61.6	-50	93.6	0	0	111.2	P770 E771 P772 I778 T779 Y800 L841	P770-M775 HydrophobicContact CB-CE 3.57Å; P770-M775 HydrophobicContact CB-CG 3.58Å; P770-M775 HydrophobicContact CB-SD 3.37Å; P770-M775 WeakPolarHBondContact CB-SD 3.48Å; P770-M775 HydrophobicContact CG-CG 4.44Å; P770-M775 HydrophobicContact CG-SD 3.97Å; E771-M775 PolarHBondContact O-N 3.24Å; P772-M775 WeakPolarHBondContact O-CA 3.47Å; P772-M775 WeakPolarHBondContact O-CB 3.45Å; P772-M775 PolarHBondContact O-N 2.91Å; M775-I778 HydrophobicContact CE-CD1 4.05Å; M775-I778 PolarHBondContact O-N 2.89Å; M775-T779 VanDerWaalsContact O-CB 3.32Å; M775-T779 WeakPolarHBondContact O-CB 3.45Å; M775-T779 PolarHBondContact O-N 3.46Å; M775-T779 PolarHBondContact O-OG1 2.95Å; M775-Y800 HydrophobicContact CE-CD1 4Å; M775-Y800 HydrophobicContact CE-CD2 3.59Å; M775-Y800 HydrophobicContact CE-CE1 3.98Å; M775-Y800 HydrophobicContact CE-CE2 3.54Å; M775-Y800 HydrophobicContact CE-CG 3.83Å; M775-L841 WeakPolarHBondContact CB-O 3.49Å; M775-L841 VanDerWaalsContact CG-O 3.27Å; M775-L841 WeakPolarHBondContact CG-O 3.35Å; M775-L841 HydrophobicContact SD-CB 3.91Å; M775-L841 HydrophobicContact SD-CD2 3.99Å; M775-L841 HydrophobicContact SD-CG 4.46Å
776	E	70.5	Confident	77.1	Confident	141 Å²	141	63.7 Å²	63.7	66%	0.659	34%	0.337	S	S	*	.	H	α-helix	trans	-58.1	-49.8	170.1	-69.8	-173.9	167.3	0	0	111	P772 I778 T779 A780	P772-E776 PolarHBondContact O-N 2.87Å; E776-I778 PolarHBondContact O-N 3.48Å; E776-T779 PolarHBondContact O-N 3.42Å; E776-T779 VanDerWaalsContact O-N 3.1Å; E776-A780 VanDerWaalsContact O-CB 3.32Å; E776-A780 WeakPolarHBondContact O-CB 3.47Å; E776-A780 PolarHBondContact O-N 3.11Å
777	A	66.4	Low	77.2	Confident	61 Å²	61	62.7 Å²	62.7	50%	0.504	33%	0.331	S	S	.	.	H	α-helix	trans	-61.8	-29	178.8	0	0	0	0	0	113.5	E773 L781	E773-A777 VanDerWaalsContact O-CB 3.22Å; E773-A777 WeakPolarHBondContact O-CB 3.44Å; E773-A777 PolarHBondContact O-N 3.45Å; A777-L781 WeakPolarHBondContact O-CG 3.27Å
778	I	66.7	Low	76.7	Confident	8 Å²	8	73 Å²	73	4%	0.041	37%	0.37	C	S	.	.	H	α-helix	trans	-76.9	-43.1	172.1	-76.7	172	0	0	0	111.3	K774 M775 E776 A780 L781 M796 T797 Y800 L841	K774-I778 WeakPolarHBondContact O-CB 3.42Å; K774-I778 VanDerWaalsContact O-CG1 3.28Å; K774-I778 WeakPolarHBondContact O-CG1 3.36Å; K774-I778 PolarHBondContact O-N 3.04Å; M775-I778 HydrophobicContact CE-CD1 4.05Å; M775-I778 PolarHBondContact O-N 2.89Å; E776-I778 PolarHBondContact O-N 3.48Å; I778-A780 VanDerWaalsContact C-N 3.27Å; I778-A780 PolarHBondContact O-N 3.06Å; I778-L781 HydrophobicContact CB-CD1 4.44Å; I778-L781 HydrophobicContact CG1-CD1 4.37Å; I778-L781 VanDerWaalsContact O-CB 3.31Å; I778-L781 WeakPolarHBondContact O-CB 3.38Å; I778-L781 WeakPolarHBondContact O-CG 3.48Å; I778-L781 PolarHBondContact O-N 2.79Å; I778-L781 VanDerWaalsContact O-N 3.1Å; I778-M796 HydrophobicContact CD1-CB 4.37Å; I778-T797 HydrophobicContact CD1-CG2 4.39Å; I778-T797 HydrophobicContact CG2-CG2 3.74Å; I778-Y800 HydrophobicContact CD1-CD2 4.06Å; I778-Y800 HydrophobicContact CD1-CE2 4.29Å; I778-L841 HydrophobicContact CD1-CD1 4.38Å; I778-L841 HydrophobicContact CG2-CD1 4.01Å
779	T	72.4	Confident	76.3	Confident	44 Å²	44	77.1 Å²	77.1	27%	0.27	39%	0.389	S	S	.	.	H	α-helix	trans	-66.3	-30.7	179.7	-55.2	0	0	0	0	111.7	M775 E776 L781 K838	M775-T779 VanDerWaalsContact O-CB 3.32Å; M775-T779 WeakPolarHBondContact O-CB 3.45Å; M775-T779 PolarHBondContact O-N 3.46Å; M775-T779 PolarHBondContact O-OG1 2.95Å; E776-T779 PolarHBondContact O-N 3.42Å; E776-T779 VanDerWaalsContact O-N 3.1Å; T779-L781 VanDerWaalsContact C-N 3.31Å; T779-L781 PolarHBondContact O-N 2.63Å; T779-K838 WeakPolarHBondContact O-CE 3.49Å; T779-K838 PolarHBondContact O-NZ 2.87Å
780	A	74.6	Confident	76.3	Confident	82 Å²	82	75.6 Å²	75.6	68%	0.678	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	0.2	174	0	0	0	0	0	114.4	E776 I778	E776-A780 VanDerWaalsContact O-CB 3.32Å; E776-A780 WeakPolarHBondContact O-CB 3.47Å; E776-A780 PolarHBondContact O-N 3.11Å; I778-A780 VanDerWaalsContact C-N 3.27Å; I778-A780 PolarHBondContact O-N 3.06Å
781	L	71.4	Confident	76.3	Confident	41 Å²	41	82.2 Å²	82.2	22%	0.215	41%	0.406	C	S	.	.			trans	-67.9	132.8	-179.3	-71.2	168.9	0	0	0	111.7	A777 I778 T779 F793 M796 F834	A777-L781 WeakPolarHBondContact O-CG 3.27Å; I778-L781 HydrophobicContact CB-CD1 4.44Å; I778-L781 HydrophobicContact CG1-CD1 4.37Å; I778-L781 VanDerWaalsContact O-CB 3.31Å; I778-L781 WeakPolarHBondContact O-CB 3.38Å; I778-L781 WeakPolarHBondContact O-CG 3.48Å; I778-L781 PolarHBondContact O-N 2.79Å; I778-L781 VanDerWaalsContact O-N 3.1Å; T779-L781 VanDerWaalsContact C-N 3.31Å; T779-L781 PolarHBondContact O-N 2.63Å; L781-F793 HydrophobicContact CD1-CD2 3.71Å; L781-F793 HydrophobicContact CD1-CE2 4.2Å; L781-M796 HydrophobicContact CD1-CE 3.35Å; L781-M796 HydrophobicContact CD2-CE 4.11Å; L781-M796 HydrophobicContact CG-CE 4.4Å; L781-F834 HydrophobicContact CB-CZ 4.38Å; L781-F834 WeakPolarHBondContact O-CZ 3.29Å
782	P	79	Confident	75.9	Confident	104 Å²	104	89.3 Å²	89.3	68%	0.675	43%	0.432	S	S	*	.			trans	-74.5	147.8	172.9	31	-34.9	0	0	0	111.3	P784	P782-P784 WeakPolarHBondContact O-CD 3.45Å
783	R	87.8	Confident	76.2	Confident	136 Å²	136	85.7 Å²	85.7	51%	0.513	41%	0.408	S	S	.	.			trans	-42.2	118.2	174.5	-173.4	-171.8	-63.9	166.4	0.1	111.8	R785 W826 E831 F834	R783-R785 PolarHBondContact O-N 2.97Å; R783-W826 HydrophobicContact CG-CD2 4.39Å; R783-W826 HydrophobicContact CG-CZ2 3.76Å; R783-E831 VanDerWaalsContact CD-OE2 3.28Å; R783-E831 WeakPolarHBondContact CD-OE2 3.49Å; R783-E831 WeakPolarHBondContact CG-OE2 3.47Å; R783-E831 IonicContact CZ-OE1 3.5Å; R783-E831 IonicContact CZ-OE2 2.73Å; R783-E831 IonicContact NE-OE1 3.53Å; R783-E831 PolarHBondContact NE-OE1 3.47Å; R783-E831 IonicContact NE-OE2 3.27Å; R783-E831 PolarHBondContact NE-OE2 2.7Å; R783-E831 VanDerWaalsContact NH2-CD 3.35Å; R783-E831 IonicContact NH2-OE1 3.75Å; R783-E831 PolarHBondContact NH2-OE1 3.18Å; R783-E831 IonicContact NH2-OE2 3.13Å; R783-F834 HydrophobicContact CB-CE1 4.31Å
784	P	84.2	Confident	76.6	Confident	7 Å²	7	79.2 Å²	79.2	5%	0.045	38%	0.379	C	S	.	.			trans	-54.6	131.8	177.5	-29.7	34.9	0	0	0	112.7	P782 Q789 V790 F793 W824 W826 F834	P782-P784 WeakPolarHBondContact O-CD 3.45Å; P784-Q789 HydrophobicContact CB-CB 3.88Å; P784-V790 HydrophobicContact CB-CG2 3.54Å; P784-V790 HydrophobicContact CG-CG2 4.25Å; P784-F793 HydrophobicContact CG-CB 4.36Å; P784-W824 HydrophobicContact CB-CH2 4.48Å; P784-W824 WeakPolarHBondContact O-CH2 3.47Å; P784-W824 VanDerWaalsContact O-CZ2 3.26Å; P784-W824 WeakPolarHBondContact O-CZ2 3.49Å; P784-W826 HydrophobicContact CB-CH2 4.02Å; P784-W826 HydrophobicContact CB-CZ3 3.88Å; P784-W826 HydrophobicContact CG-CH2 3.89Å; P784-W826 HydrophobicContact CG-CZ3 4.24Å; P784-F834 HydrophobicContact CG-CD2 4.11Å; P784-F834 HydrophobicContact CG-CE2 3.84Å
785	R	88.3	Confident	76.4	Confident	204 Å²	204	77.8 Å²	77.8	77%	0.77	39%	0.386	S	S	*	.			trans	-109.4	7.6	177.5	-55.5	-174.4	-175.4	-179.7	-0.1	112.7	R783	R783-R785 PolarHBondContact O-N 2.97Å
786	S	84.2	Confident	76	Confident	41 Å²	41	79.8 Å²	79.8	29%	0.287	40%	0.396	S	S	.	.	S	Bend	trans	-159.3	154.9	-178.4	62.9	0	0	0	0	113.1	R788 Q789 V790 W824	S786-R788 PolarHBondContact O-N 3.35Å; S786-R788 VanDerWaalsContact O-N 3.13Å; S786-Q789 PolarHBondContact O-N 3.17Å; S786-Q789 WeakPolarHBondContact OG-CG 3.23Å; S786-Q789 PolarHBondContact OG-N 3.02Å; S786-Q789 PolarHBondContact OG-OE1 3.41Å; S786-V790 PolarHBondContact O-N 2.95Å; S786-W824 VanDerWaalsContact N-CH2 3.33Å
787	V	85.6	Confident	76.3	Confident	52 Å²	52	73.1 Å²	73.1	32%	0.315	37%	0.365	S	S	.	.	H	α-helix	trans	-54.7	-31.6	175	-176.6	0	0	0	0	112.4	R791 L818 W824	V787-R791 WeakPolarHBondContact O-CB 3.49Å; V787-R791 PolarHBondContact O-N 2.82Å; V787-L818 HydrophobicContact CG1-CD2 3.77Å; V787-W824 HydrophobicContact CG2-CE3 3.98Å; V787-W824 HydrophobicContact CG2-CZ3 4.33Å
788	R	72.1	Confident	76.4	Confident	216 Å²	216	71 Å²	71	82%	0.815	35%	0.349	S	S	*	.	H	α-helix	trans	-69	-39.9	175.3	-173.2	178.4	-179.6	-175	-0	112	S786 R792	S786-R788 PolarHBondContact O-N 3.35Å; S786-R788 VanDerWaalsContact O-N 3.13Å; R788-R792 PolarHBondContact O-N 2.67Å; R788-R792 VanDerWaalsContact O-N 3.09Å
789	Q	77.5	Confident	76.3	Confident	91 Å²	91	74.8 Å²	74.8	43%	0.425	36%	0.363	S	S	.	.	H	α-helix	trans	-71.7	-40.2	175.6	-74.3	163	-30.2	0	0	111.6	P784 S786 R791 R792 F793	P784-Q789 HydrophobicContact CB-CB 3.88Å; S786-Q789 PolarHBondContact O-N 3.17Å; S786-Q789 WeakPolarHBondContact OG-CG 3.23Å; S786-Q789 PolarHBondContact OG-N 3.02Å; S786-Q789 PolarHBondContact OG-OE1 3.41Å; Q789-R791 PolarHBondContact O-N 3.17Å; Q789-R792 WeakPolarHBondContact O-CB 3.29Å; Q789-R792 PolarHBondContact O-N 2.83Å; Q789-R792 VanDerWaalsContact O-N 3.13Å; Q789-F793 PolarHBondContact O-N 3.48Å
790	V	83.6	Confident	76.2	Confident	1 Å²	1	73.2 Å²	73.2	1%	0.006	35%	0.353	C	S	.	.	H	α-helix	trans	-60.3	-44.9	174.3	178	0	0	0	0	111.2	P784 S786 R792 F793 L794 L814 L817 L818 W824 W826	P784-V790 HydrophobicContact CB-CG2 3.54Å; P784-V790 HydrophobicContact CG-CG2 4.25Å; S786-V790 PolarHBondContact O-N 2.95Å; V790-R792 VanDerWaalsContact C-N 3.29Å; V790-R792 PolarHBondContact O-N 3.11Å; V790-F793 PolarHBondContact O-N 2.92Å; V790-L794 HydrophobicContact CG1-CD1 3.91Å; V790-L794 HydrophobicContact CG1-CG 4.4Å; V790-L794 WeakPolarHBondContact O-CB 3.39Å; V790-L794 PolarHBondContact O-N 3.33Å; V790-L814 HydrophobicContact CG1-CB 4.14Å; V790-L814 VanDerWaalsContact CG1-O 3.31Å; V790-L814 WeakPolarHBondContact CG1-O 3.25Å; V790-L817 HydrophobicContact CG2-CD1 4.13Å; V790-L818 HydrophobicContact CB-CD2 4.06Å; V790-L818 HydrophobicContact CG1-CD2 3.83Å; V790-L818 HydrophobicContact CG1-CG 4.23Å; V790-W824 HydrophobicContact CG2-CH2 3.61Å; V790-W824 HydrophobicContact CG2-CZ3 3.67Å; V790-W826 HydrophobicContact CG2-CZ3 3.81Å
791	R	77.5	Confident	76.1	Confident	146 Å²	146	73.9 Å²	73.9	55%	0.551	34%	0.338	S	S	*	.	H	α-helix	trans	-63.9	-34	175.5	-170.2	176.7	-62.6	131	7.3	112.5	V787 Q789 G795 L818	V787-R791 WeakPolarHBondContact O-CB 3.49Å; V787-R791 PolarHBondContact O-N 2.82Å; Q789-R791 PolarHBondContact O-N 3.17Å; R791-G795 PolarHBondContact O-N 3.41Å; R791-G795 VanDerWaalsContact O-N 3.12Å; R791-L818 HydrophobicContact CB-CD1 4.49Å; R791-L818 HydrophobicContact CB-CD2 3.96Å
792	R	66.2	Low	76	Confident	174 Å²	174	73 Å²	73	66%	0.657	33%	0.331	S	S	*	.	H	α-helix	trans	-67.7	-48.4	173.7	-170.8	-172.8	171.1	174	-1.6	110.9	R788 Q789 V790 G795 M796	R788-R792 PolarHBondContact O-N 2.67Å; R788-R792 VanDerWaalsContact O-N 3.09Å; Q789-R792 WeakPolarHBondContact O-CB 3.29Å; Q789-R792 PolarHBondContact O-N 2.83Å; Q789-R792 VanDerWaalsContact O-N 3.13Å; V790-R792 VanDerWaalsContact C-N 3.29Å; V790-R792 PolarHBondContact O-N 3.11Å; R792-G795 PolarHBondContact O-N 2.9Å; R792-M796 HydrophobicContact CG-CE 3.89Å; R792-M796 HydrophobicContact CG-SD 3.96Å; R792-M796 WeakPolarHBondContact O-CG 3.29Å; R792-M796 PolarHBondContact O-N 3.42Å
793	F	79.8	Confident	75.9	Confident	4 Å²	4	68.1 Å²	68.1	2%	0.018	30%	0.299	C	S	.	.	H	α-helix	trans	-56.7	-57.4	178	178	-106.9	0	0	0	111.2	L781 P784 Q789 V790 G795 M796 T797 L814 F834 L837 K838	L781-F793 HydrophobicContact CD1-CD2 3.71Å; L781-F793 HydrophobicContact CD1-CE2 4.2Å; P784-F793 HydrophobicContact CG-CB 4.36Å; Q789-F793 PolarHBondContact O-N 3.48Å; V790-F793 PolarHBondContact O-N 2.92Å; F793-G795 PolarHBondContact O-N 3.03Å; F793-G795 VanDerWaalsContact O-N 3.14Å; F793-M796 PolarHBondContact O-N 3.03Å; F793-T797 HydrophobicContact CD2-CG2 3.97Å; F793-T797 HydrophobicContact CE1-CG2 4.16Å; F793-T797 HydrophobicContact CE2-CG2 3.54Å; F793-T797 HydrophobicContact CG-CG2 4.46Å; F793-T797 HydrophobicContact CZ-CG2 3.67Å; F793-T797 PolarHBondContact O-N 2.88Å; F793-T797 PolarHBondContact O-OG1 2.86Å; F793-L814 HydrophobicContact CD1-CD1 3.88Å; F793-L814 HydrophobicContact CE1-CD1 3.64Å; F793-F834 AromaticContact CD1-CD2 3.85Å; F793-F834 HydrophobicContact CD1-CD2 3.85Å; F793-F834 HydrophobicContact CD1-CE2 4.13Å; F793-F834 HydrophobicContact CD2-CD2 4.06Å; F793-F834 AromaticContact CD2-CE2 3.52Å; F793-F834 HydrophobicContact CD2-CE2 3.52Å; F793-F834 AromaticContact CE1-CD2 3.51Å; F793-F834 HydrophobicContact CE1-CD2 3.51Å; F793-F834 HydrophobicContact CE1-CE2 4.01Å; F793-F834 AromaticContact CE2-CD2 3.74Å; F793-F834 HydrophobicContact CE2-CD2 3.74Å; F793-F834 AromaticContact CE2-CE2 3.39Å; F793-F834 HydrophobicContact CE2-CE2 3.39Å; F793-F834 HydrophobicContact CE2-CZ 4.34Å; F793-F834 HydrophobicContact CG-CD2 4.1Å; F793-F834 AromaticContact CG-CE2 3.89Å; F793-F834 HydrophobicContact CG-CE2 3.89Å; F793-F834 AromaticContact CZ-CD2 3.44Å; F793-F834 HydrophobicContact CZ-CD2 3.44Å; F793-F834 VanDerWaalsContact CZ-CD2 3.44Å; F793-F834 AromaticContact CZ-CE2 3.64Å; F793-F834 HydrophobicContact CZ-CE2 3.64Å; F793-F834 HydrophobicContact CZ-CG 4.4Å; F793-L837 HydrophobicContact CE1-CB 4.22Å; F793-L837 HydrophobicContact CE1-CD1 3.72Å; F793-L837 HydrophobicContact CZ-CB 3.96Å; F793-L837 HydrophobicContact CZ-CD1 4.28Å; F793-K838 HydrophobicContact CE2-CD 4.48Å; F793-K838 HydrophobicContact CE2-CG 4.07Å; F793-K838 HydrophobicContact CZ-CG 4.15Å
794	L	79.7	Confident	75.1	Confident	20 Å²	20	61.7 Å²	61.7	11%	0.105	28%	0.275	C	S	.	.	H	α-helix	trans	-62	-22.2	178.5	-70.9	175.9	0	0	0	114.2	V790 G798 Y807 A811 L814 L818 L837	V790-L794 HydrophobicContact CG1-CD1 3.91Å; V790-L794 HydrophobicContact CG1-CG 4.4Å; V790-L794 WeakPolarHBondContact O-CB 3.39Å; V790-L794 PolarHBondContact O-N 3.33Å; L794-G798 VanDerWaalsContact O-CA 3.3Å; L794-G798 WeakPolarHBondContact O-CA 3.34Å; L794-G798 PolarHBondContact O-N 3.16Å; L794-Y807 PolarHBondContact O-OH 3.24Å; L794-A811 HydrophobicContact CD2-CB 3.73Å; L794-L814 HydrophobicContact CD1-CB 3.86Å; L794-L814 HydrophobicContact CD2-CB 4.04Å; L794-L814 HydrophobicContact CD2-CD1 4.12Å; L794-L814 HydrophobicContact CG-CB 4.19Å; L794-L818 HydrophobicContact CD1-CD1 3.85Å; L794-L818 HydrophobicContact CD1-CG 4.37Å; L794-L837 HydrophobicContact CD2-CD1 4.23Å
795	G	63.5	Low	74.3	Confident	48 Å²	48	63.3 Å²	63.3	50%	0.495	28%	0.282	S	S	.	.	H	α-helix	trans	-77.7	-36.6	171.9	0	0	0	0	0	113.1	R791 R792 F793 Y799	R791-G795 PolarHBondContact O-N 3.41Å; R791-G795 VanDerWaalsContact O-N 3.12Å; R792-G795 PolarHBondContact O-N 2.9Å; F793-G795 PolarHBondContact O-N 3.03Å; F793-G795 VanDerWaalsContact O-N 3.14Å; G795-Y799 PolarHBondContact O-N 3Å
796	M	65.7	Low	73.5	Confident	55 Å²	55	57.9 Å²	57.9	27%	0.271	26%	0.262	S	S	.	.	H	α-helix	trans	-77	-47.8	178.2	-65.3	176.7	-48.9	0	0	111.1	I778 L781 R792 F793 Y799 Y800	I778-M796 HydrophobicContact CD1-CB 4.37Å; L781-M796 HydrophobicContact CD1-CE 3.35Å; L781-M796 HydrophobicContact CD2-CE 4.11Å; L781-M796 HydrophobicContact CG-CE 4.4Å; R792-M796 HydrophobicContact CG-CE 3.89Å; R792-M796 HydrophobicContact CG-SD 3.96Å; R792-M796 WeakPolarHBondContact O-CG 3.29Å; R792-M796 PolarHBondContact O-N 3.42Å; F793-M796 PolarHBondContact O-N 3.03Å; M796-Y799 WeakPolarHBondContact O-CB 3.46Å; M796-Y800 WeakPolarHBondContact O-CD2 3.43Å
797	T	76.1	Confident	73.2	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-69.7	-34.7	175.9	56.2	0	0	0	0	111.7	I778 F793 Y799 Y800 R801 Y807 L841	I778-T797 HydrophobicContact CD1-CG2 4.39Å; I778-T797 HydrophobicContact CG2-CG2 3.74Å; F793-T797 HydrophobicContact CD2-CG2 3.97Å; F793-T797 HydrophobicContact CE1-CG2 4.16Å; F793-T797 HydrophobicContact CE2-CG2 3.54Å; F793-T797 HydrophobicContact CG-CG2 4.46Å; F793-T797 HydrophobicContact CZ-CG2 3.67Å; F793-T797 PolarHBondContact O-N 2.88Å; F793-T797 PolarHBondContact O-OG1 2.86Å; T797-Y799 PolarHBondContact O-N 2.87Å; T797-Y800 CarbonylContact O-C 3.49Å; T797-Y800 PolarHBondContact O-N 3.49Å; T797-R801 PolarHBondContact O-N 2.91Å; T797-Y807 WeakPolarHBondContact O-CE2 3.32Å; T797-Y807 PolarHBondContact OG1-OH 3.31Å; T797-L841 HydrophobicContact CG2-CD1 3.58Å
798	G	68.6	Low	72.5	Confident	17 Å²	17	53.8 Å²	53.8	18%	0.175	24%	0.235	C	C	.	.	H	α-helix	trans	-68.9	-17.2	179.4	0	0	0	0	0	115	L794 R801 Y807	L794-G798 VanDerWaalsContact O-CA 3.3Å; L794-G798 WeakPolarHBondContact O-CA 3.34Å; L794-G798 PolarHBondContact O-N 3.16Å; G798-R801 WeakPolarHBondContact O-CB 3.49Å; G798-R801 WeakPolarHBondContact O-CD 3.24Å; G798-R801 VanDerWaalsContact O-CG 3.28Å; G798-R801 WeakPolarHBondContact O-CG 3.46Å; G798-Y807 VanDerWaalsContact CA-OH 3.23Å; G798-Y807 WeakPolarHBondContact CA-OH 3.48Å; G798-Y807 PolarHBondContact N-OH 2.89Å
799	Y	64.2	Low	72.6	Confident	87 Å²	87	46.2 Å²	46.2	34%	0.341	21%	0.211	S	C	.	.	H	α-helix	trans	-65.8	-42.2	167.9	-176.8	-89.1	0	0	0	110.8	L759 Y761 G795 M796 T797 R801	L759-Y799 PolarHBondContact O-OH 3.18Å; Y761-Y799 HydrophobicContact CE1-CE1 4.27Å; Y761-Y799 AromaticContact CE2-CE1 3.89Å; Y761-Y799 HydrophobicContact CE2-CE1 3.89Å; Y761-Y799 AromaticContact CE2-CZ 3.86Å; Y761-Y799 VanDerWaalsContact CE2-OH 3.29Å; Y761-Y799 WeakPolarHBondContact CE2-OH 3.36Å; Y761-Y799 AromaticContact CZ-CE1 3.67Å; Y761-Y799 AromaticContact CZ-CZ 3.99Å; G795-Y799 PolarHBondContact O-N 3Å; M796-Y799 WeakPolarHBondContact O-CB 3.46Å; T797-Y799 PolarHBondContact O-N 2.87Å; Y799-R801 VanDerWaalsContact C-N 3.29Å; Y799-R801 PolarHBondContact O-N 2.79Å
800	Y	70.7	Confident	72.8	Confident	12 Å²	12	42.5 Å²	42.5	5%	0.047	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	14	-179.6	-63.8	-74.2	0	0	0	114.1	G760 Y761 P770 K774 M775 I778 M796 T797 R802 F803 L841	G760-Y800 WeakPolarHBondContact O-CE1 3.29Å; G760-Y800 PolarHBondContact O-OH 2.76Å; Y761-Y800 HydrophobicContact CD1-CE1 4.43Å; Y761-Y800 HydrophobicContact CE1-CD1 4.41Å; Y761-Y800 HydrophobicContact CE1-CE1 4.37Å; P770-Y800 HydrophobicContact CB-CD1 3.78Å; P770-Y800 HydrophobicContact CB-CE1 3.94Å; P770-Y800 HydrophobicContact CG-CD1 4.04Å; K774-Y800 WeakPolarHBondContact CD-OH 3.47Å; M775-Y800 HydrophobicContact CE-CD1 4Å; M775-Y800 HydrophobicContact CE-CD2 3.59Å; M775-Y800 HydrophobicContact CE-CE1 3.98Å; M775-Y800 HydrophobicContact CE-CE2 3.54Å; M775-Y800 HydrophobicContact CE-CG 3.83Å; I778-Y800 HydrophobicContact CD1-CD2 4.06Å; I778-Y800 HydrophobicContact CD1-CE2 4.29Å; M796-Y800 WeakPolarHBondContact O-CD2 3.43Å; T797-Y800 CarbonylContact O-C 3.49Å; T797-Y800 PolarHBondContact O-N 3.49Å; Y800-R802 PolarHBondContact O-N 2.83Å; Y800-F803 HydrophobicContact CD1-CD2 4.18Å; Y800-F803 HydrophobicContact CD1-CE2 4.13Å; Y800-F803 PolarHBondContact O-N 3.49Å; Y800-L841 HydrophobicContact CG-CD2 4.46Å
801	R	72.7	Confident	72.9	Confident	96 Å²	96	42.5 Å²	42.5	36%	0.362	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-56.1	-22.5	-179	70.6	-179.3	-178.8	140.9	2.3	114.7	T797 G798 Y799 F803 V804 Y807	T797-R801 PolarHBondContact O-N 2.91Å; G798-R801 WeakPolarHBondContact O-CB 3.49Å; G798-R801 WeakPolarHBondContact O-CD 3.24Å; G798-R801 VanDerWaalsContact O-CG 3.28Å; G798-R801 WeakPolarHBondContact O-CG 3.46Å; Y799-R801 VanDerWaalsContact C-N 3.29Å; Y799-R801 PolarHBondContact O-N 2.79Å; R801-F803 PolarHBondContact O-N 2.93Å; R801-V804 PolarHBondContact O-N 3.08Å; R801-Y807 HydrophobicContact CB-CD1 4.26Å; R801-Y807 HydrophobicContact CB-CD2 4.08Å; R801-Y807 HydrophobicContact CB-CE2 4.48Å; R801-Y807 HydrophobicContact CB-CG 3.99Å
802	R	69.4	Low	73.3	Confident	22 Å²	22	37 Å²	37	8%	0.083	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-70.3	-4.3	174.7	61.2	149.2	63.8	-150	3.3	114.2	D634 Y761 Y800 Y884	D634-R802 IonicContact OD1-CZ 2.77Å; D634-R802 IonicContact OD1-NH2 2.66Å; D634-R802 PolarHBondContact OD1-NH2 2.81Å; Y761-R802 HydrophobicContact CE1-CG 4.43Å; Y800-R802 PolarHBondContact O-N 2.83Å; R802-Y884 WeakPolarHBondContact O-CD2 3.5Å
803	F	75.5	Confident	74.4	Confident	1 Å²	1	29.4 Å²	29.4	0%	0.004	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-126.1	22.7	175.3	-43.8	-72.4	0	0	0	112.7	Y761 V768 P770 Y800 R801 P844 P845	Y761-F803 AromaticContact CD1-CE2 3.61Å; Y761-F803 HydrophobicContact CD1-CE2 3.61Å; Y761-F803 AromaticContact CD1-CZ 3.73Å; Y761-F803 HydrophobicContact CD1-CZ 3.73Å; Y761-F803 AromaticContact CE1-CE2 3.55Å; Y761-F803 HydrophobicContact CE1-CE2 3.55Å; Y761-F803 AromaticContact CE1-CZ 3.9Å; Y761-F803 HydrophobicContact CE1-CZ 3.9Å; V768-F803 HydrophobicContact CB-CZ 4.42Å; V768-F803 HydrophobicContact CG1-CZ 4.03Å; V768-F803 WeakPolarHBondContact O-CE1 3.48Å; P770-F803 HydrophobicContact CG-CB 4.27Å; P770-F803 HydrophobicContact CG-CD2 3.43Å; P770-F803 VanDerWaalsContact CG-CD2 3.43Å; P770-F803 HydrophobicContact CG-CE2 3.77Å; P770-F803 HydrophobicContact CG-CG 3.94Å; Y800-F803 HydrophobicContact CD1-CD2 4.18Å; Y800-F803 HydrophobicContact CD1-CE2 4.13Å; Y800-F803 PolarHBondContact O-N 3.49Å; R801-F803 PolarHBondContact O-N 2.93Å; F803-P844 HydrophobicContact CB-CB 3.83Å; F803-P845 WeakPolarHBondContact CD1-O 3.35Å; F803-P845 VanDerWaalsContact O-CD 3.25Å; F803-P845 WeakPolarHBondContact O-CD 3.45Å
804	V	71.4	Confident	74.9	Confident	1 Å²	1	29.2 Å²	29.2	1%	0.006	15%	0.152	C	C	.	.			trans	-131.3	96.5	176.5	-179.8	0	0	0	0	108.2	R801 R806 Y807 I810 L837 R840 L841	R801-V804 PolarHBondContact O-N 3.08Å; V804-R806 PolarHBondContact O-N 2.95Å; V804-Y807 HydrophobicContact CB-CD2 3.86Å; V804-Y807 HydrophobicContact CB-CG 4.33Å; V804-Y807 HydrophobicContact CG1-CD2 3.97Å; V804-Y807 HydrophobicContact CG1-CG 4.32Å; V804-Y807 HydrophobicContact CG2-CD2 4.21Å; V804-Y807 WeakPolarHBondContact O-CB 3.37Å; V804-Y807 PolarHBondContact O-N 2.89Å; V804-I810 HydrophobicContact CG1-CD1 4.04Å; V804-L837 HydrophobicContact CG1-CD2 4.1Å; V804-R840 HydrophobicContact CG1-CB 3.83Å; V804-R840 HydrophobicContact CG1-CG 4.23Å; V804-R840 HydrophobicContact CG2-CB 4.27Å; V804-L841 HydrophobicContact CG2-CD2 3.38Å; V804-L841 HydrophobicContact CG2-CG 3.69Å
805	E	68.4	Low	75.2	Confident	42 Å²	42	29.7 Å²	29.7	20%	0.196	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-44.8	130.4	162.8	-167.2	-130	153.5	0	0	108.7	Y807 R840 V969	E805-Y807 PolarHBondContact O-N 2.89Å; E805-Y807 VanDerWaalsContact O-N 3.08Å; E805-R840 IonicContact OE2-CZ 2.65Å; E805-R840 IonicContact OE2-NH1 3.99Å; E805-R840 PolarHBondContact OE2-NH1 2.8Å; E805-R840 IonicContact OE2-NH2 3.62Å; E805-V969 HydrophobicContact CG-CB 4.37Å; E805-V969 HydrophobicContact CG-CG1 3.8Å; E805-V969 HydrophobicContact CG-CG2 3.92Å
806	R	70.8	Confident	76.3	Confident	90 Å²	90	29.8 Å²	29.8	34%	0.34	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	16.6	179.4	-30.5	-168	-61.7	169.2	3.2	115.5	V804 A808 D809 I810 E836 A972	V804-R806 PolarHBondContact O-N 2.95Å; R806-A808 PolarHBondContact O-N 2.86Å; R806-D809 PolarHBondContact O-N 3.48Å; R806-I810 HydrophobicContact CB-CD1 4.37Å; R806-I810 WeakPolarHBondContact O-CG1 3.5Å; R806-I810 PolarHBondContact O-N 2.82Å; R806-E836 IonicContact NH2-OE1 2.9Å; R806-A972 HydrophobicContact CB-CB 3.66Å; R806-A972 HydrophobicContact CG-CB 3.41Å; R806-A972 VanDerWaalsContact CG-CB 3.41Å
807	Y	77.5	Confident	77.4	Confident	4 Å²	4	27.4 Å²	27.4	2%	0.016	13%	0.133	C	C	.	.	H	α-helix	trans	-38	-44.9	-176.4	176.5	-83.4	0	0	0	113.4	L794 T797 G798 R801 V804 E805 A811 L837 V978	L794-Y807 PolarHBondContact O-OH 3.24Å; T797-Y807 WeakPolarHBondContact O-CE2 3.32Å; T797-Y807 PolarHBondContact OG1-OH 3.31Å; G798-Y807 VanDerWaalsContact CA-OH 3.23Å; G798-Y807 WeakPolarHBondContact CA-OH 3.48Å; G798-Y807 PolarHBondContact N-OH 2.89Å; R801-Y807 HydrophobicContact CB-CD1 4.26Å; R801-Y807 HydrophobicContact CB-CD2 4.08Å; R801-Y807 HydrophobicContact CB-CE2 4.48Å; R801-Y807 HydrophobicContact CB-CG 3.99Å; V804-Y807 HydrophobicContact CB-CD2 3.86Å; V804-Y807 HydrophobicContact CB-CG 4.33Å; V804-Y807 HydrophobicContact CG1-CD2 3.97Å; V804-Y807 HydrophobicContact CG1-CG 4.32Å; V804-Y807 HydrophobicContact CG2-CD2 4.21Å; V804-Y807 WeakPolarHBondContact O-CB 3.37Å; V804-Y807 PolarHBondContact O-N 2.89Å; E805-Y807 PolarHBondContact O-N 2.89Å; E805-Y807 VanDerWaalsContact O-N 3.08Å; Y807-A811 HydrophobicContact CD1-CB 4.04Å; Y807-A811 HydrophobicContact CE1-CB 3.62Å; Y807-A811 WeakPolarHBondContact O-CB 3.15Å; Y807-A811 PolarHBondContact O-N 3.46Å; Y807-L837 HydrophobicContact CD2-CD2 3.48Å; Y807-L837 VanDerWaalsContact CD2-CD2 3.48Å; Y807-L837 HydrophobicContact CE2-CD1 4.36Å; Y807-L837 HydrophobicContact CE2-CD2 3.55Å; Y807-L837 HydrophobicContact CG-CD2 4.13Å; Y807-V978 HydrophobicContact CD1-CG1 4.3Å; Y807-V978 HydrophobicContact CD1-CG2 3.33Å; Y807-V978 HydrophobicContact CE1-CG1 3.92Å; Y807-V978 HydrophobicContact CE1-CG2 3.82Å; Y807-V978 HydrophobicContact CG-CG2 4.35Å
808	A	71.6	Confident	77.8	Confident	3 Å²	3	29.8 Å²	29.8	3%	0.025	15%	0.145	C	C	.	.	H	α-helix	trans	-73.5	-35.2	-170.8	0	0	0	0	0	114.3	R806 A811 A812 A976 V978	R806-A808 PolarHBondContact O-N 2.86Å; A808-A811 CarbonylContact O-C 3.6Å; A808-A811 PolarHBondContact O-N 3.24Å; A808-A812 WeakPolarHBondContact O-CA 3.21Å; A808-A812 WeakPolarHBondContact O-CB 3.28Å; A808-A812 PolarHBondContact O-N 3.44Å; A808-A976 HydrophobicContact CB-CB 4.27Å; A808-A976 WeakPolarHBondContact CB-O 3.27Å; A808-A976 WeakPolarHBondContact O-CB 3.39Å; A808-V978 HydrophobicContact CB-CG2 3.72Å
809	D	73.4	Confident	78.6	Confident	56 Å²	56	35.8 Å²	35.8	30%	0.299	16%	0.162	S	C	.	.	H	α-helix	trans	-62.6	-48.4	172.3	-93.2	-24.4	0	0	0	109.5	R806 A811 A812 A972 R975 A976	R806-D809 PolarHBondContact O-N 3.48Å; D809-A811 VanDerWaalsContact C-N 3.29Å; D809-A811 PolarHBondContact O-N 3.47Å; D809-A812 VanDerWaalsContact O-CB 3.26Å; D809-A812 WeakPolarHBondContact O-CB 3.29Å; D809-A812 PolarHBondContact O-N 3.44Å; D809-A972 WeakPolarHBondContact OD2-CA 3.47Å; D809-A972 WeakPolarHBondContact OD2-CB 3.38Å; D809-R975 VanDerWaalsContact OD1-C 3.25Å; D809-A976 WeakPolarHBondContact OD1-CB 3.41Å; D809-A976 PolarHBondContact OD1-N 2.94Å
810	I	83.4	Confident	79.2	Confident	14 Å²	14	40.5 Å²	40.5	7%	0.072	18%	0.184	C	C	.	.	H	α-helix	trans	-62.8	-40.6	179.2	-45.4	159.2	0	0	0	109.9	V804 R806 A812 G833 E836 L837 R840	V804-I810 HydrophobicContact CG1-CD1 4.04Å; R806-I810 HydrophobicContact CB-CD1 4.37Å; R806-I810 WeakPolarHBondContact O-CG1 3.5Å; R806-I810 PolarHBondContact O-N 2.82Å; I810-A812 VanDerWaalsContact C-N 3.31Å; I810-A812 PolarHBondContact O-N 2.86Å; I810-G833 WeakPolarHBondContact O-CA 3.41Å; I810-E836 HydrophobicContact CB-CG 4.37Å; I810-E836 HydrophobicContact CD1-CG 3.85Å; I810-E836 HydrophobicContact CG1-CG 3.9Å; I810-E836 HydrophobicContact CG2-CB 3.56Å; I810-E836 HydrophobicContact CG2-CG 3.47Å; I810-E836 VanDerWaalsContact CG2-CG 3.47Å; I810-L837 HydrophobicContact CB-CD2 4.1Å; I810-L837 HydrophobicContact CB-CG 4.05Å; I810-L837 HydrophobicContact CD1-CD2 4.47Å; I810-L837 HydrophobicContact CG2-CB 4.36Å; I810-L837 HydrophobicContact CG2-CD2 4.19Å; I810-L837 HydrophobicContact CG2-CG 3.68Å; I810-R840 HydrophobicContact CD1-CG 4.19Å
811	A	85	Confident	79.5	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.008	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-9.5	174.1	0	0	0	0	0	114.9	L794 Y807 A808 D809 L814 C815 L837	L794-A811 HydrophobicContact CD2-CB 3.73Å; Y807-A811 HydrophobicContact CD1-CB 4.04Å; Y807-A811 HydrophobicContact CE1-CB 3.62Å; Y807-A811 WeakPolarHBondContact O-CB 3.15Å; Y807-A811 PolarHBondContact O-N 3.46Å; A808-A811 CarbonylContact O-C 3.6Å; A808-A811 PolarHBondContact O-N 3.24Å; D809-A811 VanDerWaalsContact C-N 3.29Å; D809-A811 PolarHBondContact O-N 3.47Å; A811-L814 PolarHBondContact O-N 3.3Å; A811-C815 WeakPolarHBondContact O-CB 3.15Å; A811-C815 PolarHBondContact O-N 3.19Å; A811-C815 PolarHBondContact O-SG 3.15Å; A811-L837 HydrophobicContact CB-CD1 4.06Å
812	A	85.2	Confident	79.9	Confident	30 Å²	30	47.3 Å²	47.3	25%	0.248	23%	0.226	C	C	.	.	H	α-helix	trans	-65.8	-48.3	-169	0	0	0	0	0	113.2	A808 D809 I810 L814 C815 E816 A976	A808-A812 WeakPolarHBondContact O-CA 3.21Å; A808-A812 WeakPolarHBondContact O-CB 3.28Å; A808-A812 PolarHBondContact O-N 3.44Å; D809-A812 VanDerWaalsContact O-CB 3.26Å; D809-A812 WeakPolarHBondContact O-CB 3.29Å; D809-A812 PolarHBondContact O-N 3.44Å; I810-A812 VanDerWaalsContact C-N 3.31Å; I810-A812 PolarHBondContact O-N 2.86Å; A812-L814 VanDerWaalsContact C-N 3.3Å; A812-L814 PolarHBondContact O-N 2.89Å; A812-C815 WeakPolarHBondContact O-CA 3.32Å; A812-C815 WeakPolarHBondContact O-CB 3.34Å; A812-C815 PolarHBondContact O-N 3.4Å; A812-E816 VanDerWaalsContact O-CG 3.28Å; A812-E816 WeakPolarHBondContact O-CG 3.48Å; A812-E816 PolarHBondContact O-N 2.68Å; A812-A976 HydrophobicContact CB-CB 3.82Å
813	P	89.9	Confident	80.5	Confident	14 Å²	14	55 Å²	55	9%	0.091	26%	0.26	C	S	.	.	H	α-helix	trans	-58.4	-42.5	176.8	-24.2	36.3	0	0	0	112	C815 E816 L817 R829 E830	P813-C815 VanDerWaalsContact C-N 3.31Å; P813-C815 PolarHBondContact O-N 3.15Å; P813-E816 WeakPolarHBondContact O-CB 3.39Å; P813-E816 PolarHBondContact O-N 3.08Å; P813-L817 PolarHBondContact O-N 3.01Å; P813-R829 HydrophobicContact CB-CB 4.29Å; P813-R829 HydrophobicContact CG-CB 4.36Å; P813-R829 WeakPolarHBondContact CG-O 3.38Å; P813-E830 HydrophobicContact CB-CB 4.49Å; P813-E830 HydrophobicContact CB-CG 3.82Å
814	L	90	Very high	81.1	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-62.9	-36.2	175.5	-59.2	178.4	0	0	0	112.2	V790 F793 L794 A811 A812 E816 L817 W826 E830 F834 L837	V790-L814 HydrophobicContact CG1-CB 4.14Å; V790-L814 VanDerWaalsContact CG1-O 3.31Å; V790-L814 WeakPolarHBondContact CG1-O 3.25Å; F793-L814 HydrophobicContact CD1-CD1 3.88Å; F793-L814 HydrophobicContact CE1-CD1 3.64Å; L794-L814 HydrophobicContact CD1-CB 3.86Å; L794-L814 HydrophobicContact CD2-CB 4.04Å; L794-L814 HydrophobicContact CD2-CD1 4.12Å; L794-L814 HydrophobicContact CG-CB 4.19Å; A811-L814 PolarHBondContact O-N 3.3Å; A812-L814 VanDerWaalsContact C-N 3.3Å; A812-L814 PolarHBondContact O-N 2.89Å; L814-E816 VanDerWaalsContact C-N 3.33Å; L814-L817 PolarHBondContact O-N 2.92Å; L814-W826 HydrophobicContact CD2-CH2 3.3Å; L814-W826 HydrophobicContact CD2-CZ2 4.07Å; L814-W826 HydrophobicContact CD2-CZ3 3.66Å; L814-E830 HydrophobicContact CD2-CB 4.1Å; L814-E830 WeakPolarHBondContact CD2-O 3.5Å; L814-F834 HydrophobicContact CD1-CB 4.37Å; L814-F834 HydrophobicContact CD2-CB 4.46Å; L814-L837 HydrophobicContact CD1-CD1 4.15Å
815	C	85.5	Confident	81.9	Confident	31 Å²	31	68.7 Å²	68.7	21%	0.209	31%	0.311	C	S	.	.	H	α-helix	trans	-67.5	-30.5	171.9	-71.9	0	0	0	0	112.7	A811 A812 P813 L817 L818	A811-C815 WeakPolarHBondContact O-CB 3.15Å; A811-C815 PolarHBondContact O-N 3.19Å; A811-C815 PolarHBondContact O-SG 3.15Å; A812-C815 WeakPolarHBondContact O-CA 3.32Å; A812-C815 WeakPolarHBondContact O-CB 3.34Å; A812-C815 PolarHBondContact O-N 3.4Å; P813-C815 VanDerWaalsContact C-N 3.31Å; P813-C815 PolarHBondContact O-N 3.15Å; C815-L817 VanDerWaalsContact C-N 3.31Å; C815-L817 PolarHBondContact O-N 3.47Å; C815-L818 WeakPolarHBondContact O-CB 3.37Å; C815-L818 PolarHBondContact O-N 2.95Å; C815-L818 VanDerWaalsContact O-N 3.12Å
816	E	87.4	Confident	83	Confident	49 Å²	49	69 Å²	69	23%	0.229	31%	0.311	C	S	.	.	H	α-helix	trans	-64.8	-37.2	176.3	-50.3	-152.8	104.4	0	0	111	A812 P813 L814 L818 R819 R829	A812-E816 VanDerWaalsContact O-CG 3.28Å; A812-E816 WeakPolarHBondContact O-CG 3.48Å; A812-E816 PolarHBondContact O-N 2.68Å; P813-E816 WeakPolarHBondContact O-CB 3.39Å; P813-E816 PolarHBondContact O-N 3.08Å; L814-E816 VanDerWaalsContact C-N 3.33Å; E816-L818 PolarHBondContact O-N 3.43Å; E816-R819 WeakPolarHBondContact O-CB 3.49Å; E816-R819 WeakPolarHBondContact O-CG 3.36Å; E816-R819 PolarHBondContact O-N 2.89Å; E816-R819 VanDerWaalsContact O-N 3.09Å; E816-R819 IonicContact OE1-CZ 3.25Å; E816-R819 IonicContact OE1-NH1 2.78Å; E816-R819 PolarHBondContact OE1-NH1 3.3Å; E816-R819 IonicContact OE1-NH2 3.93Å; E816-R819 PolarHBondContact OE1-NH2 2.82Å; E816-R829 IonicContact OE2-NH1 3.34Å; E816-R829 PolarHBondContact OE2-NH1 2.75Å; E816-R829 IonicContact OE2-NH2 3.26Å
817	L	89.6	Confident	84.1	Confident	6 Å²	6	66.9 Å²	66.9	3%	0.031	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-16.2	172.5	-62.5	-177.6	0	0	0	114.4	V790 P813 L814 C815 W824 R825 W826 E830	V790-L817 HydrophobicContact CG2-CD1 4.13Å; P813-L817 PolarHBondContact O-N 3.01Å; L814-L817 PolarHBondContact O-N 2.92Å; C815-L817 VanDerWaalsContact C-N 3.31Å; C815-L817 PolarHBondContact O-N 3.47Å; L817-W824 HydrophobicContact CD1-CE3 4.47Å; L817-W824 HydrophobicContact CD1-CH2 4.02Å; L817-W824 HydrophobicContact CD1-CZ3 3.85Å; L817-R825 WeakPolarHBondContact CD2-O 3.44Å; L817-W826 HydrophobicContact CD1-CE3 3.53Å; L817-W826 HydrophobicContact CD1-CZ3 3.69Å; L817-E830 HydrophobicContact CD1-CB 4.44Å; L817-E830 HydrophobicContact CD1-CG 3.92Å; L817-E830 HydrophobicContact CG-CG 4.1Å
818	L	84.3	Confident	84.8	Confident	49 Å²	49	74.4 Å²	74.4	26%	0.257	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-9.2	175.4	-60	-170.7	0	0	0	113.6	V787 V790 R791 L794 C815 E816	V787-L818 HydrophobicContact CG1-CD2 3.77Å; V790-L818 HydrophobicContact CB-CD2 4.06Å; V790-L818 HydrophobicContact CG1-CD2 3.83Å; V790-L818 HydrophobicContact CG1-CG 4.23Å; R791-L818 HydrophobicContact CB-CD1 4.49Å; R791-L818 HydrophobicContact CB-CD2 3.96Å; L794-L818 HydrophobicContact CD1-CD1 3.85Å; L794-L818 HydrophobicContact CD1-CG 4.37Å; C815-L818 WeakPolarHBondContact O-CB 3.37Å; C815-L818 PolarHBondContact O-N 2.95Å; C815-L818 VanDerWaalsContact O-N 3.12Å; E816-L818 PolarHBondContact O-N 3.43Å
819	R	83.8	Confident	85.8	Confident	143 Å²	143	81.1 Å²	81.1	54%	0.54	37%	0.368	S	S	.	.	S	Bend	trans	-67.3	139.2	-179.3	-66.9	-177.5	-176.2	138.1	5.8	111.3	E816 N821 Q822	E816-R819 WeakPolarHBondContact O-CB 3.49Å; E816-R819 WeakPolarHBondContact O-CG 3.36Å; E816-R819 PolarHBondContact O-N 2.89Å; E816-R819 VanDerWaalsContact O-N 3.09Å; E816-R819 IonicContact OE1-CZ 3.25Å; E816-R819 IonicContact OE1-NH1 2.78Å; E816-R819 PolarHBondContact OE1-NH1 3.3Å; E816-R819 IonicContact OE1-NH2 3.93Å; E816-R819 PolarHBondContact OE1-NH2 2.82Å; R819-N821 PolarHBondContact O-N 3.39Å; R819-Q822 HydrophobicContact CB-CB 4.31Å; R819-Q822 WeakPolarHBondContact O-CB 3.37Å; R819-Q822 PolarHBondContact O-N 2.77Å
820	K	77.8	Confident	86.7	Confident	186 Å²	186	79 Å²	79	81%	0.809	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	135.3	175.3	-68.4	-176	179.6	179.2	0	110	Q822	K820-Q822 PolarHBondContact O-N 2.91Å
821	N	77.4	Confident	87.2	Confident	153 Å²	153	80.3 Å²	80.3	82%	0.818	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.8	7.4	-177.5	-51.4	-2.7	0	0	0	115.9	R819 K823	R819-N821 PolarHBondContact O-N 3.39Å; N821-K823 PolarHBondContact O-N 3.36Å
822	Q	80.7	Confident	87.6	Confident	98 Å²	98	84.5 Å²	84.5	46%	0.458	39%	0.388	S	S	.	.			trans	-65.5	126.7	168	-171.4	66.5	2.7	0	0	109.3	R819 K820	R819-Q822 HydrophobicContact CB-CB 4.31Å; R819-Q822 WeakPolarHBondContact O-CB 3.37Å; R819-Q822 PolarHBondContact O-N 2.77Å; K820-Q822 PolarHBondContact O-N 2.91Å
823	K	81.5	Confident	87.9	Confident	184 Å²	184	83.3 Å²	83.3	80%	0.8	38%	0.378	S	S	*	.			trans	-68	136.8	170.6	-75.2	-171.5	175.8	-175.1	0	108.9	N821 R825	N821-K823 PolarHBondContact O-N 3.36Å; K823-R825 PolarHBondContact O-N 2.91Å; K823-R825 VanDerWaalsContact O-N 3.07Å
824	W	88.8	Confident	88	Confident	101 Å²	101	82.7 Å²	82.7	38%	0.383	37%	0.374	S	S	.	.			trans	-64.9	110.6	173.4	-179.4	-92.3	0	0	0	109.9	P784 S786 V787 V790 L817 W826	P784-W824 HydrophobicContact CB-CH2 4.48Å; P784-W824 WeakPolarHBondContact O-CH2 3.47Å; P784-W824 VanDerWaalsContact O-CZ2 3.26Å; P784-W824 WeakPolarHBondContact O-CZ2 3.49Å; S786-W824 VanDerWaalsContact N-CH2 3.33Å; V787-W824 HydrophobicContact CG2-CE3 3.98Å; V787-W824 HydrophobicContact CG2-CZ3 4.33Å; V790-W824 HydrophobicContact CG2-CH2 3.61Å; V790-W824 HydrophobicContact CG2-CZ3 3.67Å; L817-W824 HydrophobicContact CD1-CE3 4.47Å; L817-W824 HydrophobicContact CD1-CH2 4.02Å; L817-W824 HydrophobicContact CD1-CZ3 3.85Å; W824-W826 AromaticContact CH2-CE3 3.63Å; W824-W826 HydrophobicContact CH2-CE3 3.63Å; W824-W826 AromaticContact CH2-CZ3 3.94Å; W824-W826 HydrophobicContact CH2-CZ3 3.94Å; W824-W826 HydrophobicContact CZ2-CB 4.48Å; W824-W826 AromaticContact CZ2-CE3 3.72Å; W824-W826 HydrophobicContact CZ2-CE3 3.72Å; W824-W826 HydrophobicContact CZ2-CZ3 4.42Å
825	R	88.5	Confident	88.1	Confident	189 Å²	189	86.2 Å²	86.2	71%	0.713	39%	0.391	S	S	*	.			trans	-143.8	113.6	171	-173.7	-175.4	-172	-175.8	2.3	106.8	L817 K823 T827	L817-R825 WeakPolarHBondContact CD2-O 3.44Å; K823-R825 PolarHBondContact O-N 2.91Å; K823-R825 VanDerWaalsContact O-N 3.07Å; R825-T827 HydrophobicContact CG-CG2 3.91Å
826	W	91.6	Very high	88.3	Confident	48 Å²	48	87.2 Å²	87.2	18%	0.182	39%	0.392	C	S	.	.			trans	-92	119.8	172.4	-165.4	-83.7	0	0	0	107.7	R783 P784 V790 L814 L817 W824 E830 E831 F834	R783-W826 HydrophobicContact CG-CD2 4.39Å; R783-W826 HydrophobicContact CG-CZ2 3.76Å; P784-W826 HydrophobicContact CB-CH2 4.02Å; P784-W826 HydrophobicContact CB-CZ3 3.88Å; P784-W826 HydrophobicContact CG-CH2 3.89Å; P784-W826 HydrophobicContact CG-CZ3 4.24Å; V790-W826 HydrophobicContact CG2-CZ3 3.81Å; L814-W826 HydrophobicContact CD2-CH2 3.3Å; L814-W826 HydrophobicContact CD2-CZ2 4.07Å; L814-W826 HydrophobicContact CD2-CZ3 3.66Å; L817-W826 HydrophobicContact CD1-CE3 3.53Å; L817-W826 HydrophobicContact CD1-CZ3 3.69Å; W824-W826 AromaticContact CH2-CE3 3.63Å; W824-W826 HydrophobicContact CH2-CE3 3.63Å; W824-W826 AromaticContact CH2-CZ3 3.94Å; W824-W826 HydrophobicContact CH2-CZ3 3.94Å; W824-W826 HydrophobicContact CZ2-CB 4.48Å; W824-W826 AromaticContact CZ2-CE3 3.72Å; W824-W826 HydrophobicContact CZ2-CE3 3.72Å; W824-W826 HydrophobicContact CZ2-CZ3 4.42Å; W826-E830 HydrophobicContact CD2-CB 3.84Å; W826-E830 HydrophobicContact CE3-CB 4.08Å; W826-E830 HydrophobicContact CG-CB 4.25Å; W826-E830 HydrophobicContact CH2-CB 4.49Å; W826-E830 HydrophobicContact CZ2-CB 4.27Å; W826-E830 WeakPolarHBondContact CZ2-O 3.47Å; W826-E830 HydrophobicContact CZ3-CB 4.38Å; W826-E831 PolarHBondContact NE1-OE2 3.2Å; W826-F834 HydrophobicContact CH2-CB 4.13Å; W826-F834 HydrophobicContact CH2-CD2 4.4Å; W826-F834 HydrophobicContact CH2-CG 4.3Å; W826-F834 HydrophobicContact CZ2-CB 3.76Å; W826-F834 HydrophobicContact CZ2-CD1 4.49Å; W826-F834 HydrophobicContact CZ2-CG 4.05Å
827	T	92.1	Very high	88.3	Confident	46 Å²	46	84.9 Å²	84.9	28%	0.282	38%	0.381	S	S	.	.			trans	-115.4	176.9	176.2	76	0	0	0	0	109.9	R825 R829 E830 E831	R825-T827 HydrophobicContact CG-CG2 3.91Å; T827-R829 PolarHBondContact O-N 3.06Å; T827-R829 PolarHBondContact OG1-N 3.01Å; T827-E830 WeakPolarHBondContact CA-OE2 3.47Å; T827-E830 VanDerWaalsContact CB-OE2 3.26Å; T827-E830 WeakPolarHBondContact CB-OE2 3.37Å; T827-E830 PolarHBondContact N-OE2 3.21Å; T827-E830 PolarHBondContact O-N 3.1Å; T827-E830 PolarHBondContact OG1-OE2 3.19Å; T827-E831 PolarHBondContact O-N 3.43Å
828	E	92.9	Very high	88.1	Confident	161 Å²	161	85.5 Å²	85.5	75%	0.752	38%	0.384	S	S	*	.	H	α-helix	trans	-52.2	-35.7	172.9	-170.6	170.2	-152.6	0	0	112.7	E830 E831 T832	E828-E830 VanDerWaalsContact C-N 3.32Å; E828-E830 PolarHBondContact O-N 3.34Å; E828-E831 PolarHBondContact O-N 2.77Å; E828-E831 VanDerWaalsContact O-N 3.15Å; E828-T832 PolarHBondContact O-N 2.84Å; E828-T832 PolarHBondContact O-OG1 3.13Å; E828-T832 VanDerWaalsContact O-OG1 3.06Å
829	R	92.5	Very high	88.3	Confident	145 Å²	145	86.4 Å²	86.4	55%	0.547	39%	0.394	S	S	.	.	H	α-helix	trans	-59.9	-40.4	175.7	-63.8	179	70.9	-125.8	7.3	112.7	P813 E816 T827 G833	P813-R829 HydrophobicContact CB-CB 4.29Å; P813-R829 HydrophobicContact CG-CB 4.36Å; P813-R829 WeakPolarHBondContact CG-O 3.38Å; E816-R829 IonicContact OE2-NH1 3.34Å; E816-R829 PolarHBondContact OE2-NH1 2.75Å; E816-R829 IonicContact OE2-NH2 3.26Å; T827-R829 PolarHBondContact O-N 3.06Å; T827-R829 PolarHBondContact OG1-N 3.01Å; R829-G833 PolarHBondContact O-N 2.8Å
830	E	93.2	Very high	88.3	Confident	12 Å²	12	82.8 Å²	82.8	6%	0.056	38%	0.381	C	S	.	.	H	α-helix	trans	-77.7	-29.1	177.7	-66.8	76.3	-144	0	0	111.9	P813 L814 L817 W826 T827 E828 F834	P813-E830 HydrophobicContact CB-CB 4.49Å; P813-E830 HydrophobicContact CB-CG 3.82Å; L814-E830 HydrophobicContact CD2-CB 4.1Å; L814-E830 WeakPolarHBondContact CD2-O 3.5Å; L817-E830 HydrophobicContact CD1-CB 4.44Å; L817-E830 HydrophobicContact CD1-CG 3.92Å; L817-E830 HydrophobicContact CG-CG 4.1Å; W826-E830 HydrophobicContact CD2-CB 3.84Å; W826-E830 HydrophobicContact CE3-CB 4.08Å; W826-E830 HydrophobicContact CG-CB 4.25Å; W826-E830 HydrophobicContact CH2-CB 4.49Å; W826-E830 HydrophobicContact CZ2-CB 4.27Å; W826-E830 WeakPolarHBondContact CZ2-O 3.47Å; W826-E830 HydrophobicContact CZ3-CB 4.38Å; T827-E830 WeakPolarHBondContact CA-OE2 3.47Å; T827-E830 VanDerWaalsContact CB-OE2 3.26Å; T827-E830 WeakPolarHBondContact CB-OE2 3.37Å; T827-E830 PolarHBondContact N-OE2 3.21Å; T827-E830 PolarHBondContact O-N 3.1Å; T827-E830 PolarHBondContact OG1-OE2 3.19Å; E828-E830 VanDerWaalsContact C-N 3.32Å; E828-E830 PolarHBondContact O-N 3.34Å; E830-F834 VanDerWaalsContact O-CB 3.3Å; E830-F834 WeakPolarHBondContact O-CB 3.5Å; E830-F834 PolarHBondContact O-N 2.71Å
831	E	94.1	Very high	88.4	Confident	40 Å²	40	73.9 Å²	73.9	19%	0.187	34%	0.342	C	S	.	.	H	α-helix	trans	-69.4	-49.5	173.1	-168	68.5	172.2	0	0	112.3	R783 W826 T827 E828 G833 F834 E835	R783-E831 VanDerWaalsContact CD-OE2 3.28Å; R783-E831 WeakPolarHBondContact CD-OE2 3.49Å; R783-E831 WeakPolarHBondContact CG-OE2 3.47Å; R783-E831 IonicContact CZ-OE1 3.5Å; R783-E831 IonicContact CZ-OE2 2.73Å; R783-E831 IonicContact NE-OE1 3.53Å; R783-E831 PolarHBondContact NE-OE1 3.47Å; R783-E831 IonicContact NE-OE2 3.27Å; R783-E831 PolarHBondContact NE-OE2 2.7Å; R783-E831 VanDerWaalsContact NH2-CD 3.35Å; R783-E831 IonicContact NH2-OE1 3.75Å; R783-E831 PolarHBondContact NH2-OE1 3.18Å; R783-E831 IonicContact NH2-OE2 3.13Å; W826-E831 PolarHBondContact NE1-OE2 3.2Å; T827-E831 PolarHBondContact O-N 3.43Å; E828-E831 PolarHBondContact O-N 2.77Å; E828-E831 VanDerWaalsContact O-N 3.15Å; E831-G833 VanDerWaalsContact C-N 3.28Å; E831-G833 PolarHBondContact O-N 3.31Å; E831-F834 WeakPolarHBondContact O-CA 3.32Å; E831-F834 WeakPolarHBondContact O-CB 3.48Å; E831-F834 PolarHBondContact O-N 2.96Å; E831-E835 PolarHBondContact O-N 3Å
832	T	93.4	Very high	88.5	Confident	89 Å²	89	73.4 Å²	73.4	55%	0.546	33%	0.333	S	S	.	.	H	α-helix	trans	-58.6	-42.6	176.1	-53.7	0	0	0	0	110.8	E828 F834 E836	E828-T832 PolarHBondContact O-N 2.84Å; E828-T832 PolarHBondContact O-OG1 3.13Å; E828-T832 VanDerWaalsContact O-OG1 3.06Å; T832-F834 VanDerWaalsContact C-N 3.26Å; T832-F834 PolarHBondContact O-N 3.25Å; T832-E836 VanDerWaalsContact O-CB 3.23Å; T832-E836 WeakPolarHBondContact O-CB 3.35Å; T832-E836 PolarHBondContact O-N 3.42Å
833	G	91	Very high	88.2	Confident	5 Å²	5	75 Å²	75	5%	0.052	35%	0.345	C	S	.	.	H	α-helix	trans	-66.9	-22.7	174.9	0	0	0	0	0	114.7	I810 R829 E831 L837	I810-G833 WeakPolarHBondContact O-CA 3.41Å; R829-G833 PolarHBondContact O-N 2.8Å; E831-G833 VanDerWaalsContact C-N 3.28Å; E831-G833 PolarHBondContact O-N 3.31Å; G833-L837 WeakPolarHBondContact O-CG 3.16Å
834	F	91.5	Very high	87.7	Confident	1 Å²	1	68.2 Å²	68.2	0%	0.004	32%	0.319	C	S	.	.	H	α-helix	trans	-82.1	-47.8	175.3	177.7	-109.5	0	0	0	111.8	L781 R783 P784 F793 L814 W826 E830 E831 T832 K838	L781-F834 HydrophobicContact CB-CZ 4.38Å; L781-F834 WeakPolarHBondContact O-CZ 3.29Å; R783-F834 HydrophobicContact CB-CE1 4.31Å; P784-F834 HydrophobicContact CG-CD2 4.11Å; P784-F834 HydrophobicContact CG-CE2 3.84Å; F793-F834 AromaticContact CD1-CD2 3.85Å; F793-F834 HydrophobicContact CD1-CD2 3.85Å; F793-F834 HydrophobicContact CD1-CE2 4.13Å; F793-F834 HydrophobicContact CD2-CD2 4.06Å; F793-F834 AromaticContact CD2-CE2 3.52Å; F793-F834 HydrophobicContact CD2-CE2 3.52Å; F793-F834 AromaticContact CE1-CD2 3.51Å; F793-F834 HydrophobicContact CE1-CD2 3.51Å; F793-F834 HydrophobicContact CE1-CE2 4.01Å; F793-F834 AromaticContact CE2-CD2 3.74Å; F793-F834 HydrophobicContact CE2-CD2 3.74Å; F793-F834 AromaticContact CE2-CE2 3.39Å; F793-F834 HydrophobicContact CE2-CE2 3.39Å; F793-F834 HydrophobicContact CE2-CZ 4.34Å; F793-F834 HydrophobicContact CG-CD2 4.1Å; F793-F834 AromaticContact CG-CE2 3.89Å; F793-F834 HydrophobicContact CG-CE2 3.89Å; F793-F834 AromaticContact CZ-CD2 3.44Å; F793-F834 HydrophobicContact CZ-CD2 3.44Å; F793-F834 VanDerWaalsContact CZ-CD2 3.44Å; F793-F834 AromaticContact CZ-CE2 3.64Å; F793-F834 HydrophobicContact CZ-CE2 3.64Å; F793-F834 HydrophobicContact CZ-CG 4.4Å; L814-F834 HydrophobicContact CD1-CB 4.37Å; L814-F834 HydrophobicContact CD2-CB 4.46Å; W826-F834 HydrophobicContact CH2-CB 4.13Å; W826-F834 HydrophobicContact CH2-CD2 4.4Å; W826-F834 HydrophobicContact CH2-CG 4.3Å; W826-F834 HydrophobicContact CZ2-CB 3.76Å; W826-F834 HydrophobicContact CZ2-CD1 4.49Å; W826-F834 HydrophobicContact CZ2-CG 4.05Å; E830-F834 VanDerWaalsContact O-CB 3.3Å; E830-F834 WeakPolarHBondContact O-CB 3.5Å; E830-F834 PolarHBondContact O-N 2.71Å; E831-F834 WeakPolarHBondContact O-CA 3.32Å; E831-F834 WeakPolarHBondContact O-CB 3.48Å; E831-F834 PolarHBondContact O-N 2.96Å; T832-F834 VanDerWaalsContact C-N 3.26Å; T832-F834 PolarHBondContact O-N 3.25Å; F834-K838 HydrophobicContact CD1-CD 4.05Å; F834-K838 HydrophobicContact CE1-CD 3.66Å; F834-K838 HydrophobicContact CE2-CD 4.16Å; F834-K838 HydrophobicContact CG-CD 4.45Å; F834-K838 HydrophobicContact CZ-CD 3.72Å; F834-K838 WeakPolarHBondContact O-CD 3.27Å; F834-K838 WeakPolarHBondContact O-CG 3.05Å; F834-K838 PolarHBondContact O-N 2.98Å
835	E	92.3	Very high	86.8	Confident	75 Å²	75	66.1 Å²	66.1	35%	0.35	32%	0.318	S	S	.	.	H	α-helix	trans	-77.4	-36	-176.9	-66.3	-59	147.3	0	0	113.4	E831 L837 K838 S839	E831-E835 PolarHBondContact O-N 3Å; E835-L837 VanDerWaalsContact C-N 3.33Å; E835-L837 PolarHBondContact O-N 3.1Å; E835-K838 PolarHBondContact O-N 3.31Å; E835-K838 VanDerWaalsContact O-N 3.17Å; E835-K838 IonicContact OE1-NZ 3.73Å; E835-K838 PolarHBondContact OE1-NZ 3.49Å; E835-K838 IonicContact OE2-NZ 3.63Å; E835-K838 PolarHBondContact OE2-NZ 2.84Å; E835-S839 WeakPolarHBondContact O-CB 3.24Å; E835-S839 PolarHBondContact O-N 2.97Å
836	E	89.6	Confident	85.9	Confident	51 Å²	51	60 Å²	60	24%	0.238	30%	0.299	C	S	.	.	H	α-helix	trans	-65.2	-35.5	173.2	171.9	72.8	166.5	0	0	111.1	R806 I810 T832 K838 S839 R840	R806-E836 IonicContact NH2-OE1 2.9Å; I810-E836 HydrophobicContact CB-CG 4.37Å; I810-E836 HydrophobicContact CD1-CG 3.85Å; I810-E836 HydrophobicContact CG1-CG 3.9Å; I810-E836 HydrophobicContact CG2-CB 3.56Å; I810-E836 HydrophobicContact CG2-CG 3.47Å; I810-E836 VanDerWaalsContact CG2-CG 3.47Å; T832-E836 VanDerWaalsContact O-CB 3.23Å; T832-E836 WeakPolarHBondContact O-CB 3.35Å; T832-E836 PolarHBondContact O-N 3.42Å; E836-K838 VanDerWaalsContact C-N 3.31Å; E836-K838 PolarHBondContact O-N 3.09Å; E836-S839 PolarHBondContact O-N 3.49Å; E836-R840 HydrophobicContact CG-CG 4.35Å; E836-R840 WeakPolarHBondContact O-CB 3.35Å; E836-R840 VanDerWaalsContact O-CG 3.26Å; E836-R840 WeakPolarHBondContact O-CG 3.4Å; E836-R840 PolarHBondContact O-N 2.94Å; E836-R840 IonicContact OE1-CZ 3.3Å; E836-R840 VanDerWaalsContact OE1-CZ 3.29Å; E836-R840 IonicContact OE1-NE 2.87Å; E836-R840 PolarHBondContact OE1-NE 3.49Å; E836-R840 IonicContact OE1-NH2 3.85Å; E836-R840 PolarHBondContact OE1-NH2 3.02Å; E836-R840 IonicContact OE2-NE 2.79Å
837	L	87.5	Confident	85	Confident	0 Å²	0	58 Å²	58	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-63.8	-36.3	172.9	-86.3	179.8	0	0	0	112.5	F793 L794 V804 Y807 I810 A811 L814 G833 E835 L841	F793-L837 HydrophobicContact CE1-CB 4.22Å; F793-L837 HydrophobicContact CE1-CD1 3.72Å; F793-L837 HydrophobicContact CZ-CB 3.96Å; F793-L837 HydrophobicContact CZ-CD1 4.28Å; L794-L837 HydrophobicContact CD2-CD1 4.23Å; V804-L837 HydrophobicContact CG1-CD2 4.1Å; Y807-L837 HydrophobicContact CD2-CD2 3.48Å; Y807-L837 VanDerWaalsContact CD2-CD2 3.48Å; Y807-L837 HydrophobicContact CE2-CD1 4.36Å; Y807-L837 HydrophobicContact CE2-CD2 3.55Å; Y807-L837 HydrophobicContact CG-CD2 4.13Å; I810-L837 HydrophobicContact CB-CD2 4.1Å; I810-L837 HydrophobicContact CB-CG 4.05Å; I810-L837 HydrophobicContact CD1-CD2 4.47Å; I810-L837 HydrophobicContact CG2-CB 4.36Å; I810-L837 HydrophobicContact CG2-CD2 4.19Å; I810-L837 HydrophobicContact CG2-CG 3.68Å; A811-L837 HydrophobicContact CB-CD1 4.06Å; L814-L837 HydrophobicContact CD1-CD1 4.15Å; G833-L837 WeakPolarHBondContact O-CG 3.16Å; E835-L837 VanDerWaalsContact C-N 3.33Å; E835-L837 PolarHBondContact O-N 3.1Å; L837-L841 WeakPolarHBondContact O-CB 3.39Å; L837-L841 WeakPolarHBondContact O-CG 3.28Å; L837-L841 PolarHBondContact O-N 3.11Å
838	K	85.7	Confident	84.4	Confident	19 Å²	19	57.6 Å²	57.6	8%	0.083	29%	0.288	C	S	.	.	H	α-helix	trans	-71	-42.1	174.9	-67.1	162	68.6	-147.6	0	110.9	T779 F793 F834 E835 E836 L841 K842	T779-K838 WeakPolarHBondContact O-CE 3.49Å; T779-K838 PolarHBondContact O-NZ 2.87Å; F793-K838 HydrophobicContact CE2-CD 4.48Å; F793-K838 HydrophobicContact CE2-CG 4.07Å; F793-K838 HydrophobicContact CZ-CG 4.15Å; F834-K838 HydrophobicContact CD1-CD 4.05Å; F834-K838 HydrophobicContact CE1-CD 3.66Å; F834-K838 HydrophobicContact CE2-CD 4.16Å; F834-K838 HydrophobicContact CG-CD 4.45Å; F834-K838 HydrophobicContact CZ-CD 3.72Å; F834-K838 WeakPolarHBondContact O-CD 3.27Å; F834-K838 WeakPolarHBondContact O-CG 3.05Å; F834-K838 PolarHBondContact O-N 2.98Å; E835-K838 PolarHBondContact O-N 3.31Å; E835-K838 VanDerWaalsContact O-N 3.17Å; E835-K838 IonicContact OE1-NZ 3.73Å; E835-K838 PolarHBondContact OE1-NZ 3.49Å; E835-K838 IonicContact OE2-NZ 3.63Å; E835-K838 PolarHBondContact OE2-NZ 2.84Å; E836-K838 VanDerWaalsContact C-N 3.31Å; E836-K838 PolarHBondContact O-N 3.09Å; K838-L841 PolarHBondContact O-N 2.99Å; K838-K842 PolarHBondContact O-N 2.89Å
839	S	87.8	Confident	84	Confident	69 Å²	69	50.3 Å²	50.3	48%	0.483	25%	0.254	S	S	.	.	H	α-helix	trans	-58.6	-51.1	176.3	-172.6	0	0	0	0	112	E835 E836 L841 K842 N843	E835-S839 WeakPolarHBondContact O-CB 3.24Å; E835-S839 PolarHBondContact O-N 2.97Å; E836-S839 PolarHBondContact O-N 3.49Å; S839-L841 VanDerWaalsContact C-N 3.34Å; S839-L841 PolarHBondContact O-N 2.92Å; S839-K842 WeakPolarHBondContact O-CB 3.44Å; S839-K842 PolarHBondContact O-N 3.04Å; S839-K842 VanDerWaalsContact O-N 3.11Å; S839-N843 PolarHBondContact O-N 3.39Å
840	R	85.4	Confident	83.7	Confident	66 Å²	66	44.6 Å²	44.6	25%	0.249	23%	0.233	C	C	.	.	H	α-helix	trans	-63.6	-36.2	178.5	-65.7	-66.1	-177.4	134.4	5.7	113.3	V804 E805 I810 E836 K842 N843	V804-R840 HydrophobicContact CG1-CB 3.83Å; V804-R840 HydrophobicContact CG1-CG 4.23Å; V804-R840 HydrophobicContact CG2-CB 4.27Å; E805-R840 IonicContact OE2-CZ 2.65Å; E805-R840 IonicContact OE2-NH1 3.99Å; E805-R840 PolarHBondContact OE2-NH1 2.8Å; E805-R840 IonicContact OE2-NH2 3.62Å; I810-R840 HydrophobicContact CD1-CG 4.19Å; E836-R840 HydrophobicContact CG-CG 4.35Å; E836-R840 WeakPolarHBondContact O-CB 3.35Å; E836-R840 VanDerWaalsContact O-CG 3.26Å; E836-R840 WeakPolarHBondContact O-CG 3.4Å; E836-R840 PolarHBondContact O-N 2.94Å; E836-R840 IonicContact OE1-CZ 3.3Å; E836-R840 VanDerWaalsContact OE1-CZ 3.29Å; E836-R840 IonicContact OE1-NE 2.87Å; E836-R840 PolarHBondContact OE1-NE 3.49Å; E836-R840 IonicContact OE1-NH2 3.85Å; E836-R840 PolarHBondContact OE1-NH2 3.02Å; E836-R840 IonicContact OE2-NE 2.79Å; R840-K842 VanDerWaalsContact C-N 3.31Å; R840-N843 CarbonylContact O-C 3.57Å
841	L	79.5	Confident	83.3	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-78.1	-13.6	176	-73.4	173	0	0	0	113.6	M775 I778 T797 Y800 V804 L837 K838 S839	M775-L841 WeakPolarHBondContact CB-O 3.49Å; M775-L841 VanDerWaalsContact CG-O 3.27Å; M775-L841 WeakPolarHBondContact CG-O 3.35Å; M775-L841 HydrophobicContact SD-CB 3.91Å; M775-L841 HydrophobicContact SD-CD2 3.99Å; M775-L841 HydrophobicContact SD-CG 4.46Å; I778-L841 HydrophobicContact CD1-CD1 4.38Å; I778-L841 HydrophobicContact CG2-CD1 4.01Å; T797-L841 HydrophobicContact CG2-CD1 3.58Å; Y800-L841 HydrophobicContact CG-CD2 4.46Å; V804-L841 HydrophobicContact CG2-CD2 3.38Å; V804-L841 HydrophobicContact CG2-CG 3.69Å; L837-L841 WeakPolarHBondContact O-CB 3.39Å; L837-L841 WeakPolarHBondContact O-CG 3.28Å; L837-L841 PolarHBondContact O-N 3.11Å; K838-L841 PolarHBondContact O-N 2.99Å; S839-L841 VanDerWaalsContact C-N 3.34Å; S839-L841 PolarHBondContact O-N 2.92Å
842	K	78.6	Confident	82.6	Confident	142 Å²	142	51.2 Å²	51.2	62%	0.617	26%	0.264	S	S	*	.	H	α-helix	trans	-72.8	-40.8	170.9	-167.7	-175.6	178.2	-173.4	0	111.6	K838 S839 R840 P844	K838-K842 PolarHBondContact O-N 2.89Å; S839-K842 WeakPolarHBondContact O-CB 3.44Å; S839-K842 PolarHBondContact O-N 3.04Å; S839-K842 VanDerWaalsContact O-N 3.11Å; R840-K842 VanDerWaalsContact C-N 3.31Å; K842-P844 VanDerWaalsContact C-CD 3.43Å; K842-P844 WeakPolarHBondContact O-CD 3.36Å
843	N	74.5	Confident	82.2	Confident	133 Å²	133	54.4 Å²	54.4	71%	0.711	28%	0.278	S	S	*	.	S	Bend	trans	-122.6	68.7	179.6	-64.3	-2	0	0	0	110.9	S839 R840	S839-N843 PolarHBondContact O-N 3.39Å; R840-N843 CarbonylContact O-C 3.57Å
844	P	70.6	Confident	82	Confident	40 Å²	40	57.3 Å²	57.3	26%	0.26	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-70	142.5	-178.4	29.8	-35.7	0	0	0	112	P770 F803 K842	P770-P844 HydrophobicContact CG-CB 3.82Å; P770-P844 HydrophobicContact CG-CG 3.73Å; F803-P844 HydrophobicContact CB-CB 3.83Å; K842-P844 VanDerWaalsContact C-CD 3.43Å; K842-P844 WeakPolarHBondContact O-CD 3.36Å
845	P	70.9	Confident	82	Confident	57 Å²	57	61.6 Å²	61.6	37%	0.37	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-67.9	147.1	164.1	31.7	-34.1	0	0	0	110.4	F803 G847 Y884	F803-P845 WeakPolarHBondContact CD1-O 3.35Å; F803-P845 VanDerWaalsContact O-CD 3.25Å; F803-P845 WeakPolarHBondContact O-CD 3.45Å; P845-G847 PolarHBondContact O-N 3.39Å; P845-Y884 HydrophobicContact CG-CE2 4.38Å
846	I	68.5	Low	82	Confident	60 Å²	60	58.3 Å²	58.3	31%	0.308	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-67.2	129.5	177.6	-50.1	177.7	0	0	0	109.3	V766 H848	V766-I846 HydrophobicContact CG1-CD1 4.04Å; V766-I846 HydrophobicContact CG1-CG2 4.37Å; I846-H848 PolarHBondContact O-N 3Å
847	G	72.9	Confident	82.1	Confident	6 Å²	6	56.3 Å²	56.3	6%	0.062	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	94.7	165.5	0	0	0	0	0	108.9	G767 V768 P845	G767-G847 CarbonylContact C-O 3.3Å; G767-G847 WeakPolarHBondContact CA-O 3.36Å; V768-G847 PolarHBondContact N-O 3Å; V768-G847 PolarHBondContact O-N 2.97Å; P845-G847 PolarHBondContact O-N 3.39Å
848	H	80.1	Confident	82.3	Confident	38 Å²	38	56.3 Å²	56.3	18%	0.176	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	143.2	-174.3	-80	-73.8	0	0	0	112.5	V766 I846 F850 H880 V881	V766-H848 VanDerWaalsContact CG1-CE1 3.5Å; V766-H848 WeakPolarHBondContact CG1-CE1 3.17Å; V766-H848 PolarHBondContact O-ND1 3.04Å; I846-H848 PolarHBondContact O-N 3Å; H848-F850 PolarHBondContact O-N 2.94Å; H848-H880 HydrophobicContact CB-CB 4.23Å; H848-H880 AromaticContact CD2-CG 3.9Å; H848-H880 AromaticContact CD2-ND1 3.45Å; H848-H880 PolarHBondContact CD2-ND1 3.14Å; H848-H880 AromaticContact CE1-ND1 3.51Å; H848-H880 AromaticContact NE2-CG 3.95Å; H848-H880 AromaticContact NE2-ND1 3.04Å; H848-H880 PolarHBondContact NE2-ND1 3.06Å; H848-V881 PolarHBondContact N-O 3.12Å
849	H	84.8	Confident	82.4	Confident	8 Å²	8	55.5 Å²	55.5	4%	0.037	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-61.8	129.5	171.6	-67	-53.5	0	0	0	110.4	D764 G767 Q851	D764-H849 PolarHBondContact O-NE2 3.32Å; G767-H849 VanDerWaalsContact CA-CD2 3.42Å; G767-H849 WeakPolarHBondContact CA-CD2 2.89Å; G767-H849 WeakPolarHBondContact CA-NE2 3.23Å; G767-H849 PolarHBondContact N-CD2 3.01Å; G767-H849 PolarHBondContact O-CE1 3.24Å; G767-H849 PolarHBondContact O-NE2 3.45Å; H849-Q851 WeakPolarHBondContact O-CG 3.46Å; H849-Q851 PolarHBondContact O-N 3.21Å; H849-Q851 PolarHBondContact O-NE2 2.98Å
850	F	86	Confident	82.4	Confident	26 Å²	26	52.2 Å²	52.2	11%	0.114	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-60.6	126.4	178.3	-177.5	-91.8	0	0	0	111.4	H848 E852 I856 L871 Q873 V882 Y915	H848-F850 PolarHBondContact O-N 2.94Å; F850-E852 HydrophobicContact CE1-CG 4.37Å; F850-I856 HydrophobicContact CE2-CD1 4.05Å; F850-I856 HydrophobicContact CE2-CG1 4.14Å; F850-I856 HydrophobicContact CZ-CD1 3.71Å; F850-I856 HydrophobicContact CZ-CG1 4.18Å; F850-L871 HydrophobicContact CD2-CD2 4.25Å; F850-Q873 HydrophobicContact CD2-CG 4.39Å; F850-Q873 VanDerWaalsContact CD2-OE1 3.27Å; F850-Q873 HydrophobicContact CE2-CG 4.37Å; F850-V882 HydrophobicContact CB-CG1 4.08Å; F850-V882 HydrophobicContact CD2-CG1 4.45Å; F850-V882 HydrophobicContact CD2-CG2 4.31Å; F850-Y915 HydrophobicContact CB-CD1 4.2Å; F850-Y915 HydrophobicContact CB-CE1 4.28Å; F850-Y915 HydrophobicContact CD1-CD1 4.43Å; F850-Y915 AromaticContact CD2-CD1 3.71Å; F850-Y915 HydrophobicContact CD2-CD1 3.71Å; F850-Y915 HydrophobicContact CD2-CG 4.37Å; F850-Y915 HydrophobicContact CE2-CD1 4.17Å; F850-Y915 HydrophobicContact CE2-CG 4.47Å; F850-Y915 AromaticContact CG-CD1 3.86Å; F850-Y915 HydrophobicContact CG-CD1 3.86Å; F850-Y915 HydrophobicContact CG-CE1 4.44Å
851	Q	84.2	Confident	82.3	Confident	60 Å²	60	49.2 Å²	49.2	28%	0.28	25%	0.253	S	S	.	.			trans	-109	114.3	-178.5	-58.7	-56.2	-53.6	0	0	109.8	H849 N853 W854 Q873	H849-Q851 WeakPolarHBondContact O-CG 3.46Å; H849-Q851 PolarHBondContact O-N 3.21Å; H849-Q851 PolarHBondContact O-NE2 2.98Å; Q851-N853 PolarHBondContact O-N 2.94Å; Q851-W854 HydrophobicContact CB-CB 4.19Å; Q851-W854 HydrophobicContact CB-CD2 3.59Å; Q851-W854 HydrophobicContact CB-CE3 4.1Å; Q851-W854 HydrophobicContact CB-CG 3.64Å; Q851-W854 HydrophobicContact CB-CZ2 4.42Å; Q851-W854 HydrophobicContact CG-CD2 3.73Å; Q851-W854 HydrophobicContact CG-CE3 3.9Å; Q851-W854 HydrophobicContact CG-CG 4.32Å; Q851-W854 HydrophobicContact CG-CH2 3.96Å; Q851-W854 HydrophobicContact CG-CZ2 3.77Å; Q851-W854 HydrophobicContact CG-CZ3 4.02Å; Q851-W854 PolarHBondContact O-N 2.94Å; Q851-W854 VanDerWaalsContact O-N 3.08Å; Q851-Q873 PolarHBondContact O-NE2 2.95Å
852	E	80.6	Confident	82.6	Confident	131 Å²	131	49.7 Å²	49.7	61%	0.612	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-27.5	-171.8	-58.1	-154.2	99.4	0	0	114.4	F850 R919	F850-E852 HydrophobicContact CE1-CG 4.37Å; E852-R919 IonicContact OE1-CZ 2.64Å; E852-R919 IonicContact OE1-NE 3.36Å; E852-R919 PolarHBondContact OE1-NE 3.37Å; E852-R919 IonicContact OE1-NH2 3.96Å; E852-R919 PolarHBondContact OE1-NH2 3.23Å
853	N	83.5	Confident	82.7	Confident	156 Å²	156	43.6 Å²	43.6	83%	0.834	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.4	1	-176.6	-62.7	-22.9	0	0	0	114.2	Q851	Q851-N853 PolarHBondContact O-N 2.94Å
854	W	88.3	Confident	83	Confident	66 Å²	66	47.8 Å²	47.8	25%	0.25	24%	0.238	C	C	.	.	S	Bend	trans	-100.7	131.2	-178	-64.6	6.2	0	0	0	111.6	Q851 I856 Q873 K875 H880	Q851-W854 HydrophobicContact CB-CB 4.19Å; Q851-W854 HydrophobicContact CB-CD2 3.59Å; Q851-W854 HydrophobicContact CB-CE3 4.1Å; Q851-W854 HydrophobicContact CB-CG 3.64Å; Q851-W854 HydrophobicContact CB-CZ2 4.42Å; Q851-W854 HydrophobicContact CG-CD2 3.73Å; Q851-W854 HydrophobicContact CG-CE3 3.9Å; Q851-W854 HydrophobicContact CG-CG 4.32Å; Q851-W854 HydrophobicContact CG-CH2 3.96Å; Q851-W854 HydrophobicContact CG-CZ2 3.77Å; Q851-W854 HydrophobicContact CG-CZ3 4.02Å; Q851-W854 PolarHBondContact O-N 2.94Å; Q851-W854 VanDerWaalsContact O-N 3.08Å; W854-I856 PolarHBondContact O-N 3.04Å; W854-Q873 HydrophobicContact CB-CB 3.93Å; W854-Q873 HydrophobicContact CE3-CB 4.18Å; W854-Q873 PolarHBondContact O-NE2 3.23Å; W854-K875 HydrophobicContact CD2-CB 3.98Å; W854-K875 HydrophobicContact CD2-CD 4.48Å; W854-K875 HydrophobicContact CE3-CB 4.01Å; W854-K875 HydrophobicContact CH2-CB 4.33Å; W854-K875 HydrophobicContact CH2-CD 3.89Å; W854-K875 HydrophobicContact CZ2-CB 4.3Å; W854-K875 HydrophobicContact CZ2-CD 3.41Å; W854-K875 VanDerWaalsContact CZ2-CD 3.41Å; W854-K875 HydrophobicContact CZ2-CG 4.37Å; W854-K875 HydrophobicContact CZ3-CB 4.18Å; W854-H880 HydrophobicContact CZ3-CB 4.12Å; W854-H880 AromaticContact CZ3-CD2 3.57Å; W854-H880 AromaticContact CZ3-CG 3.82Å
855	P	90.1	Very high	83	Confident	90 Å²	90	47.9 Å²	47.9	58%	0.584	24%	0.24	S	C	*	.	P	Polyproline II helix	trans	-49.3	128.3	177.3	-31	35.2	0	0	0	113.9	Q873 K874	P855-Q873 VanDerWaalsContact O-CA 3.23Å; P855-Q873 WeakPolarHBondContact O-CA 3.49Å; P855-K874 WeakPolarHBondContact CD-O 3.2Å; P855-K874 PolarHBondContact O-N 3.48Å
856	I	93	Very high	83.3	Confident	7 Å²	7	45.2 Å²	45.2	4%	0.036	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	125.1	-171.6	-50.5	167.1	0	0	0	110.5	F850 W854 V858 L871 V916 R919 F921 R922	F850-I856 HydrophobicContact CE2-CD1 4.05Å; F850-I856 HydrophobicContact CE2-CG1 4.14Å; F850-I856 HydrophobicContact CZ-CD1 3.71Å; F850-I856 HydrophobicContact CZ-CG1 4.18Å; W854-I856 PolarHBondContact O-N 3.04Å; I856-V858 HydrophobicContact CG2-CG2 4.48Å; I856-L871 HydrophobicContact CG2-CD1 3.55Å; I856-V916 HydrophobicContact CG2-CG1 4.34Å; I856-R919 HydrophobicContact CD1-CB 3.91Å; I856-F921 HydrophobicContact CB-CB 3.81Å; I856-F921 HydrophobicContact CD1-CB 4.46Å; I856-F921 HydrophobicContact CG2-CB 3.99Å; I856-R922 PolarHBondContact O-N 3.18Å
857	E	91.6	Very high	84	Confident	8 Å²	8	42.3 Å²	42.3	4%	0.037	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	126.6	167	-62.5	-162.1	170.7	0	0	111	H859 S872 K874 R922 V924 R962	E857-H859 WeakPolarHBondContact CB-NE2 3.15Å; E857-H859 IonicContact OE2-CE1 2.68Å; E857-H859 PolarHBondContact OE2-CE1 3.16Å; E857-H859 IonicContact OE2-NE2 3.29Å; E857-S872 PolarHBondContact N-O 3.11Å; E857-S872 PolarHBondContact O-N 3.04Å; E857-S872 VanDerWaalsContact O-O 3.12Å; E857-S872 PolarHBondContact O-OG 2.91Å; E857-S872 VanDerWaalsContact O-OG 3.11Å; E857-K874 IonicContact OE1-NZ 2.73Å; E857-K874 PolarHBondContact OE1-NZ 3.31Å; E857-K874 IonicContact OE2-NZ 2.8Å; E857-K874 PolarHBondContact OE2-NZ 3.08Å; E857-R922 HydrophobicContact CG-CB 4.16Å; E857-R922 IonicContact OE1-CZ 3.5Å; E857-R922 VanDerWaalsContact OE1-CZ 3.26Å; E857-R922 IonicContact OE1-NE 3.99Å; E857-R922 PolarHBondContact OE1-NE 3.18Å; E857-R922 IonicContact OE1-NH2 3.26Å; E857-R922 PolarHBondContact OE1-NH2 3.41Å; E857-V924 HydrophobicContact CB-CG2 4.38Å; E857-R962 IonicContact OE2-NH2 3.85Å; E857-R962 PolarHBondContact OE2-NH2 3.26Å; E857-R962 VanDerWaalsContact OE2-NH2 3.08Å
858	V	91.4	Very high	84.2	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	109.9	170.7	-176.2	0	0	0	0	108.3	I856 M870 L871 L909 L912 V916 F921 R922 V923 V924	I856-V858 HydrophobicContact CG2-CG2 4.48Å; V858-M870 WeakPolarHBondContact CA-O 3.45Å; V858-L871 HydrophobicContact CG2-CD1 3.79Å; V858-L909 HydrophobicContact CG1-CD2 4.38Å; V858-L912 HydrophobicContact CG1-CD1 3.61Å; V858-L912 HydrophobicContact CG2-CD1 4.29Å; V858-V916 HydrophobicContact CG2-CG1 3.81Å; V858-F921 HydrophobicContact CG2-CD2 4.31Å; V858-R922 PolarHBondContact N-O 3Å; V858-V923 HydrophobicContact CB-CG2 4.48Å; V858-V923 CarbonylContact O-C 3.49Å; V858-V923 VanDerWaalsContact O-CA 3.26Å; V858-V923 WeakPolarHBondContact O-CA 3.37Å; V858-V924 PolarHBondContact O-N 3.08Å
859	H	88.3	Confident	84.4	Confident	3 Å²	3	40.2 Å²	40.2	1%	0.014	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	127.2	-176.4	-45.5	-134.4	0	0	0	108.7	E857 A869 M870 S872 E879 V924 R962 P970	E857-H859 WeakPolarHBondContact CB-NE2 3.15Å; E857-H859 IonicContact OE2-CE1 2.68Å; E857-H859 PolarHBondContact OE2-CE1 3.16Å; E857-H859 IonicContact OE2-NE2 3.29Å; H859-A869 CarbonylContact O-C 3.57Å; H859-A869 WeakPolarHBondContact O-CA 3.35Å; H859-A869 VanDerWaalsContact O-CB 3.27Å; H859-A869 WeakPolarHBondContact O-CB 3.24Å; H859-M870 HydrophobicContact CB-CG 3.73Å; H859-M870 HydrophobicContact CB-SD 4.38Å; H859-M870 PolarHBondContact N-O 2.89Å; H859-M870 PolarHBondContact O-N 3.2Å; H859-S872 PolarHBondContact CD2-OG 2.89Å; H859-S872 PolarHBondContact NE2-OG 2.95Å; H859-E879 IonicContact CE1-OE1 3.65Å; H859-E879 PolarHBondContact CE1-OE1 3.3Å; H859-E879 VanDerWaalsContact CE1-OE1 3.27Å; H859-E879 IonicContact CE1-OE2 2.66Å; H859-E879 IonicContact NE2-OE1 2.8Å; H859-V924 CarbonylContact C-O 3.59Å; H859-V924 WeakPolarHBondContact CA-O 3.41Å; H859-V924 HydrophobicContact CB-CB 4.06Å; H859-R962 PolarHBondContact CE1-NH2 2.88Å; H859-P970 HydrophobicContact CB-CG 3.47Å; H859-P970 VanDerWaalsContact CB-CG 3.47Å
860	C	88.2	Confident	84.4	Confident	0 Å²	0	40 Å²	40	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	132.2	-164.5	-71.7	0	0	0	0	112.9	A904 V905 A908 V924 T925 H967	C860-A904 HydrophobicContact CB-CB 4.49Å; C860-V905 HydrophobicContact CB-CG2 3.6Å; C860-A908 WeakPolarHBondContact SG-CB 3.4Å; C860-V924 PolarHBondContact N-O 2.84Å; C860-T925 PolarHBondContact O-OG1 3.27Å; C860-H967 PolarHBondContact O-CE1 3.49Å
861	D	83.6	Confident	84.5	Confident	3 Å²	3	38.8 Å²	38.8	2%	0.016	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	150.3	-174.9	-170.8	107.5	0	0	0	111.6	G868 A904 H967 P970 D971 S974	D861-G868 PolarHBondContact N-O 3.24Å; D861-G868 PolarHBondContact O-N 3.29Å; D861-G868 VanDerWaalsContact O-O 3.12Å; D861-A904 WeakPolarHBondContact O-CB 3.2Å; D861-H967 IonicContact OD1-ND1 3.61Å; D861-H967 PolarHBondContact OD1-ND1 2.86Å; D861-P970 HydrophobicContact CB-CB 3.43Å; D861-P970 VanDerWaalsContact CB-CB 3.43Å; D861-D971 WeakPolarHBondContact OD2-CA 3.34Å; D861-S974 VanDerWaalsContact O-CB 3.26Å; D861-S974 WeakPolarHBondContact O-CB 3.49Å; D861-S974 VanDerWaalsContact OD2-CB 3.3Å; D861-S974 WeakPolarHBondContact OD2-CB 3.49Å; D861-S974 PolarHBondContact OD2-OG 2.73Å
862	A	85.6	Confident	84.7	Confident	10 Å²	10	36 Å²	36	8%	0.083	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	148.9	174	0	0	0	0	0	114	G866 L867 L900 E901 A904 S974	A862-G866 WeakPolarHBondContact CA-O 3.42Å; A862-L867 HydrophobicContact CB-CD2 3.61Å; A862-L900 HydrophobicContact CB-CB 3.67Å; A862-L900 WeakPolarHBondContact CB-O 3.35Å; A862-E901 WeakPolarHBondContact CB-OE1 3.41Å; A862-E901 PolarHBondContact N-OE2 2.71Å; A862-A904 HydrophobicContact CB-CB 4.1Å; A862-S974 VanDerWaalsContact C-OG 3.24Å
863	S	80.2	Confident	85.1	Confident	14 Å²	14	29.8 Å²	29.8	10%	0.098	15%	0.148	C	C	.	.			trans	-124.9	178.3	169.3	92.4	0	0	0	0	110.8	S865 G866 L889 S974 R975	S863-S865 PolarHBondContact O-N 3.34Å; S863-S865 VanDerWaalsContact O-N 3.16Å; S863-S865 PolarHBondContact OG-N 3.45Å; S863-S865 PolarHBondContact OG-OG 2.82Å; S863-S865 VanDerWaalsContact OG-OG 3.06Å; S863-G866 PolarHBondContact N-O 3.02Å; S863-G866 PolarHBondContact O-N 2.92Å; S863-G866 PolarHBondContact OG-N 3.29Å; S863-L889 WeakPolarHBondContact O-CD1 3.3Å; S863-S974 WeakPolarHBondContact CB-O 3.18Å; S863-S974 WeakPolarHBondContact CB-OG 3.45Å; S863-S974 PolarHBondContact N-OG 2.77Å; S863-S974 VanDerWaalsContact OG-C 3.3Å; S863-S974 PolarHBondContact OG-O 3.48Å; S863-R975 WeakPolarHBondContact OG-CA 3.11Å
864	R	79.4	Confident	85	Confident	220 Å²	220	25 Å²	25	83%	0.83	12%	0.12	S	C	*	.	S	Bend	trans	-68.3	-4.9	172.2	-66.3	-173.9	179.9	171.9	2.1	114.6
865	S	70.5	Confident	84.7	Confident	43 Å²	43	25.8 Å²	25.8	30%	0.301	13%	0.125	S	C	.	.	S	Bend	trans	-112.4	-24	177	79.5	0	0	0	0	113.5	S863 L889 S974 R975 A976	S863-S865 PolarHBondContact O-N 3.34Å; S863-S865 VanDerWaalsContact O-N 3.16Å; S863-S865 PolarHBondContact OG-N 3.45Å; S863-S865 PolarHBondContact OG-OG 2.82Å; S863-S865 VanDerWaalsContact OG-OG 3.06Å; S865-L889 PolarHBondContact O-N 2.96Å; S865-S974 PolarHBondContact OG-O 2.99Å; S865-R975 PolarHBondContact OG-O 3.08Å; S865-A976 WeakPolarHBondContact OG-CA 3.35Å
866	G	78.3	Confident	84.1	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.7	172.1	-165	0	0	0	0	0	117.2	A862 S863 S974 P977	A862-G866 WeakPolarHBondContact CA-O 3.42Å; S863-G866 PolarHBondContact N-O 3.02Å; S863-G866 PolarHBondContact O-N 2.92Å; S863-G866 PolarHBondContact OG-N 3.29Å; G866-S974 CarbonylContact C-O 3.53Å; G866-S974 VanDerWaalsContact CA-O 3.27Å; G866-S974 WeakPolarHBondContact CA-O 3.34Å; G866-S974 PolarHBondContact N-O 3.15Å; G866-P977 VanDerWaalsContact CA-CG 3.44Å
867	L	82.6	Confident	83.1	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	133.9	168	-48.3	175	0	0	0	107.9	A862 S886 R887 L889 L903 A904 W907	A862-L867 HydrophobicContact CB-CD2 3.61Å; L867-S886 WeakPolarHBondContact O-CA 3.2Å; L867-S886 WeakPolarHBondContact O-CB 3.3Å; L867-R887 HydrophobicContact CB-CG 4.45Å; L867-R887 HydrophobicContact CD1-CG 4.11Å; L867-R887 HydrophobicContact CG-CG 4.48Å; L867-R887 PolarHBondContact N-O 2.84Å; L867-R887 VanDerWaalsContact N-O 3.09Å; L867-R887 PolarHBondContact O-N 2.64Å; L867-L889 HydrophobicContact CD1-CD2 4.38Å; L867-L889 HydrophobicContact CD2-CD2 3.64Å; L867-L889 HydrophobicContact CG-CD2 3.76Å; L867-L903 HydrophobicContact CD1-CD2 4.42Å; L867-L903 HydrophobicContact CD1-CG 3.9Å; L867-L903 HydrophobicContact CD2-CB 4.47Å; L867-L903 HydrophobicContact CD2-CD2 4.46Å; L867-L903 HydrophobicContact CD2-CG 4.26Å; L867-A904 HydrophobicContact CB-CB 4.32Å; L867-A904 HydrophobicContact CD2-CB 4.04Å; L867-W907 HydrophobicContact CB-CD2 4.39Å; L867-W907 HydrophobicContact CB-CE3 3.74Å; L867-W907 HydrophobicContact CB-CZ3 3.96Å; L867-W907 HydrophobicContact CD1-CB 3.89Å; L867-W907 HydrophobicContact CD1-CD2 4.07Å; L867-W907 HydrophobicContact CD1-CE3 4.07Å; L867-W907 HydrophobicContact CD1-CG 3.99Å
868	G	77.9	Confident	82.2	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	140.5	176.7	0	0	0	0	0	111.2	D861 L973	D861-G868 PolarHBondContact N-O 3.24Å; D861-G868 PolarHBondContact O-N 3.29Å; D861-G868 VanDerWaalsContact O-O 3.12Å; G868-L973 VanDerWaalsContact CA-C 3.48Å; G868-L973 WeakPolarHBondContact CA-O 3.32Å
869	A	84.7	Confident	81.5	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	159	168.5	0	0	0	0	0	113.1	H859 I885 W907 A908	H859-A869 CarbonylContact O-C 3.57Å; H859-A869 WeakPolarHBondContact O-CA 3.35Å; H859-A869 VanDerWaalsContact O-CB 3.27Å; H859-A869 WeakPolarHBondContact O-CB 3.24Å; A869-I885 HydrophobicContact CB-CD1 4.09Å; A869-I885 HydrophobicContact CB-CG1 3.86Å; A869-I885 PolarHBondContact N-O 3.47Å; A869-I885 WeakPolarHBondContact O-CG1 3.24Å; A869-I885 PolarHBondContact O-N 3.46Å; A869-W907 HydrophobicContact CB-CZ3 4.15Å; A869-A908 HydrophobicContact CB-CB 3.63Å
870	M	83.5	Confident	81.1	Confident	4 Å²	4	43.6 Å²	43.6	2%	0.02	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	144.5	173.9	60.5	-178.9	-89.1	0	0	111.2	V858 H859 V881 T883 Y884 V969 P970	V858-M870 WeakPolarHBondContact CA-O 3.45Å; H859-M870 HydrophobicContact CB-CG 3.73Å; H859-M870 HydrophobicContact CB-SD 4.38Å; H859-M870 PolarHBondContact N-O 2.89Å; H859-M870 PolarHBondContact O-N 3.2Å; M870-V881 HydrophobicContact CE-CG2 3.82Å; M870-T883 WeakPolarHBondContact CA-O 3.41Å; M870-Y884 HydrophobicContact CB-CD1 3.67Å; M870-Y884 HydrophobicContact CB-CE1 4Å; M870-Y884 HydrophobicContact SD-CE1 4.28Å; M870-V969 HydrophobicContact SD-CB 3.84Å; M870-V969 HydrophobicContact SD-CG1 3.65Å; M870-P970 HydrophobicContact CG-CG 4.23Å; M870-P970 HydrophobicContact SD-CG 4.39Å
871	L	88.1	Confident	80.7	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	123.4	167.3	-179.7	68.6	0	0	0	108.5	F850 I856 V858 V881 V882 T883 L912 Y915	F850-L871 HydrophobicContact CD2-CD2 4.25Å; I856-L871 HydrophobicContact CG2-CD1 3.55Å; V858-L871 HydrophobicContact CG2-CD1 3.79Å; L871-V881 WeakPolarHBondContact O-CG1 3.46Å; L871-V882 HydrophobicContact CB-CB 4.47Å; L871-V882 HydrophobicContact CD2-CB 3.98Å; L871-V882 HydrophobicContact CD2-CG1 3.88Å; L871-V882 HydrophobicContact CG-CB 4.1Å; L871-V882 PolarHBondContact O-N 2.95Å; L871-T883 HydrophobicContact CB-CG2 3.92Å; L871-T883 HydrophobicContact CD2-CG2 4.3Å; L871-T883 PolarHBondContact N-O 2.88Å; L871-T883 PolarHBondContact O-N 3.36Å; L871-L912 HydrophobicContact CB-CD1 4.08Å; L871-L912 HydrophobicContact CB-CD2 4.1Å; L871-L912 HydrophobicContact CD2-CD2 4.38Å; L871-Y915 HydrophobicContact CD2-CD1 3.8Å; L871-Y915 HydrophobicContact CD2-CD2 3.45Å; L871-Y915 VanDerWaalsContact CD2-CD2 3.45Å; L871-Y915 HydrophobicContact CD2-CE1 4.27Å; L871-Y915 HydrophobicContact CD2-CE2 3.93Å; L871-Y915 HydrophobicContact CD2-CG 3.36Å
872	S	88.4	Confident	80.6	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	158.5	177.6	60.1	0	0	0	0	110.8	E857 H859 H880	E857-S872 PolarHBondContact N-O 3.11Å; E857-S872 PolarHBondContact O-N 3.04Å; E857-S872 VanDerWaalsContact O-O 3.12Å; E857-S872 PolarHBondContact O-OG 2.91Å; E857-S872 VanDerWaalsContact O-OG 3.11Å; H859-S872 PolarHBondContact CD2-OG 2.89Å; H859-S872 PolarHBondContact NE2-OG 2.95Å; S872-H880 CarbonylContact C-O 3.56Å; S872-H880 VanDerWaalsContact CA-O 3.28Å; S872-H880 WeakPolarHBondContact CA-O 3.44Å
873	Q	88.7	Confident	80.3	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	147.4	173.3	-61.5	-171.8	-83.9	0	0	110.2	F850 Q851 W854 P855 H880 V882	F850-Q873 HydrophobicContact CD2-CG 4.39Å; F850-Q873 VanDerWaalsContact CD2-OE1 3.27Å; F850-Q873 HydrophobicContact CE2-CG 4.37Å; Q851-Q873 PolarHBondContact O-NE2 2.95Å; W854-Q873 HydrophobicContact CB-CB 3.93Å; W854-Q873 HydrophobicContact CE3-CB 4.18Å; W854-Q873 PolarHBondContact O-NE2 3.23Å; P855-Q873 VanDerWaalsContact O-CA 3.23Å; P855-Q873 WeakPolarHBondContact O-CA 3.49Å; Q873-H880 PolarHBondContact N-O 3.31Å; Q873-H880 PolarHBondContact O-N 3.2Å; Q873-V882 HydrophobicContact CG-CG2 4.16Å
874	K	83.1	Confident	80	Confident	57 Å²	57	45.3 Å²	45.3	25%	0.248	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	129.6	-177.3	-75.6	176.8	174.4	165	0	112.1	P855 E857 Q878 E879	P855-K874 WeakPolarHBondContact CD-O 3.2Å; P855-K874 PolarHBondContact O-N 3.48Å; E857-K874 IonicContact OE1-NZ 2.73Å; E857-K874 PolarHBondContact OE1-NZ 3.31Å; E857-K874 IonicContact OE2-NZ 2.8Å; E857-K874 PolarHBondContact OE2-NZ 3.08Å; K874-Q878 WeakPolarHBondContact CA-O 3.43Å; K874-E879 WeakPolarHBondContact CE-OE1 3.42Å; K874-E879 HydrophobicContact CG-CB 4.47Å; K874-E879 HydrophobicContact CG-CG 4.46Å; K874-E879 IonicContact NZ-OE1 3.08Å; K874-E879 PolarHBondContact NZ-OE1 3.13Å
875	K	81.2	Confident	79.8	Confident	82 Å²	82	35.6 Å²	35.6	36%	0.357	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	131.6	170.2	178	-178.6	165.8	-170.9	0	108.4	W854 G877 Q878	W854-K875 HydrophobicContact CD2-CB 3.98Å; W854-K875 HydrophobicContact CD2-CD 4.48Å; W854-K875 HydrophobicContact CE3-CB 4.01Å; W854-K875 HydrophobicContact CH2-CB 4.33Å; W854-K875 HydrophobicContact CH2-CD 3.89Å; W854-K875 HydrophobicContact CZ2-CB 4.3Å; W854-K875 HydrophobicContact CZ2-CD 3.41Å; W854-K875 VanDerWaalsContact CZ2-CD 3.41Å; W854-K875 HydrophobicContact CZ2-CG 4.37Å; W854-K875 HydrophobicContact CZ3-CB 4.18Å; K875-G877 PolarHBondContact O-N 2.81Å; K875-Q878 PolarHBondContact N-O 3.08Å; K875-Q878 VanDerWaalsContact N-O 3.14Å; K875-Q878 PolarHBondContact O-N 3.3Å
876	E	77.9	Confident	80.1	Confident	168 Å²	168	34 Å²	34	79%	0.785	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.3	31.3	173.4	-69.9	155.1	-154.6	0	0	113.9	Q878	E876-Q878 VanDerWaalsContact C-N 3.31Å; E876-Q878 PolarHBondContact O-N 2.71Å
877	G	72.3	Confident	80	Confident	76 Å²	76	34.4 Å²	34.4	78%	0.784	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.2	-14.4	-177.2	0	0	0	0	0	115.6	K875	K875-G877 PolarHBondContact O-N 2.81Å
878	Q	72.8	Confident	79.7	Confident	130 Å²	130	37.6 Å²	37.6	61%	0.607	20%	0.195	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-81.8	144.9	176.3	-57.7	-171.2	12.9	0	0	111.3	K874 K875 E876	K874-Q878 WeakPolarHBondContact CA-O 3.43Å; K875-Q878 PolarHBondContact N-O 3.08Å; K875-Q878 VanDerWaalsContact N-O 3.14Å; K875-Q878 PolarHBondContact O-N 3.3Å; E876-Q878 VanDerWaalsContact C-N 3.31Å; E876-Q878 PolarHBondContact O-N 2.71Å
879	E	76.4	Confident	79.7	Confident	77 Å²	77	37.9 Å²	37.9	36%	0.36	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	102.7	-178.1	-168.7	167.9	-99	0	0	109.8	H859 K874	H859-E879 IonicContact CE1-OE1 3.65Å; H859-E879 PolarHBondContact CE1-OE1 3.3Å; H859-E879 VanDerWaalsContact CE1-OE1 3.27Å; H859-E879 IonicContact CE1-OE2 2.66Å; H859-E879 IonicContact NE2-OE1 2.8Å; K874-E879 WeakPolarHBondContact CE-OE1 3.42Å; K874-E879 HydrophobicContact CG-CB 4.47Å; K874-E879 HydrophobicContact CG-CG 4.46Å; K874-E879 IonicContact NZ-OE1 3.08Å; K874-E879 PolarHBondContact NZ-OE1 3.13Å
880	H	79.5	Confident	79.3	Confident	30 Å²	30	38.6 Å²	38.6	14%	0.139	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	116.3	-180	-63.4	-78.9	0	0	0	109.6	H848 W854 S872 Q873	H848-H880 HydrophobicContact CB-CB 4.23Å; H848-H880 AromaticContact CD2-CG 3.9Å; H848-H880 AromaticContact CD2-ND1 3.45Å; H848-H880 PolarHBondContact CD2-ND1 3.14Å; H848-H880 AromaticContact CE1-ND1 3.51Å; H848-H880 AromaticContact NE2-CG 3.95Å; H848-H880 AromaticContact NE2-ND1 3.04Å; H848-H880 PolarHBondContact NE2-ND1 3.06Å; W854-H880 HydrophobicContact CZ3-CB 4.12Å; W854-H880 AromaticContact CZ3-CD2 3.57Å; W854-H880 AromaticContact CZ3-CG 3.82Å; S872-H880 CarbonylContact C-O 3.56Å; S872-H880 VanDerWaalsContact CA-O 3.28Å; S872-H880 WeakPolarHBondContact CA-O 3.44Å; Q873-H880 PolarHBondContact N-O 3.31Å; Q873-H880 PolarHBondContact O-N 3.2Å
881	V	80.3	Confident	78.9	Confident	21 Å²	21	42.4 Å²	42.4	13%	0.127	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	129.6	180	-173.7	0	0	0	0	110.6	H848 M870 L871 Y884	H848-V881 PolarHBondContact N-O 3.12Å; M870-V881 HydrophobicContact CE-CG2 3.82Å; L871-V881 WeakPolarHBondContact O-CG1 3.46Å; V881-Y884 HydrophobicContact CG1-CD1 4.17Å; V881-Y884 HydrophobicContact CG1-CD2 4.49Å; V881-Y884 HydrophobicContact CG1-CE1 3.7Å; V881-Y884 HydrophobicContact CG1-CE2 4.08Å; V881-Y884 HydrophobicContact CG2-CE1 4.42Å
882	V	81.7	Confident	78.3	Confident	5 Å²	5	45.3 Å²	45.3	3%	0.03	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	-45.6	178.1	178.2	0	0	0	0	110.3	F850 L871 Q873 Y915	F850-V882 HydrophobicContact CB-CG1 4.08Å; F850-V882 HydrophobicContact CD2-CG1 4.45Å; F850-V882 HydrophobicContact CD2-CG2 4.31Å; L871-V882 HydrophobicContact CB-CB 4.47Å; L871-V882 HydrophobicContact CD2-CB 3.98Å; L871-V882 HydrophobicContact CD2-CG1 3.88Å; L871-V882 HydrophobicContact CG-CB 4.1Å; L871-V882 PolarHBondContact O-N 2.95Å; Q873-V882 HydrophobicContact CG-CG2 4.16Å; V882-Y915 HydrophobicContact CG1-CE1 4.34Å
883	T	77.8	Confident	77.9	Confident	13 Å²	13	45.3 Å²	45.3	8%	0.08	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	150.9	177.1	-171.9	0	0	0	0	113.9	M870 L871 L912 Y915	M870-T883 WeakPolarHBondContact CA-O 3.41Å; L871-T883 HydrophobicContact CB-CG2 3.92Å; L871-T883 HydrophobicContact CD2-CG2 4.3Å; L871-T883 PolarHBondContact N-O 2.88Å; L871-T883 PolarHBondContact O-N 3.36Å; T883-L912 HydrophobicContact CG2-CD2 3.82Å; T883-Y915 HydrophobicContact CG2-CE2 4.46Å
884	Y	75.3	Confident	77.5	Confident	25 Å²	25	49.9 Å²	49.9	10%	0.098	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	136	171	-61	-66.6	0	0	0	110.9	R802 P845 M870 V881 V969 L973	R802-Y884 WeakPolarHBondContact O-CD2 3.5Å; P845-Y884 HydrophobicContact CG-CE2 4.38Å; M870-Y884 HydrophobicContact CB-CD1 3.67Å; M870-Y884 HydrophobicContact CB-CE1 4Å; M870-Y884 HydrophobicContact SD-CE1 4.28Å; V881-Y884 HydrophobicContact CG1-CD1 4.17Å; V881-Y884 HydrophobicContact CG1-CD2 4.49Å; V881-Y884 HydrophobicContact CG1-CE1 3.7Å; V881-Y884 HydrophobicContact CG1-CE2 4.08Å; V881-Y884 HydrophobicContact CG2-CE1 4.42Å; Y884-V969 HydrophobicContact CD1-CG1 4.13Å; Y884-V969 HydrophobicContact CE1-CG1 3.55Å; Y884-L973 HydrophobicContact CD1-CD1 3.82Å; Y884-L973 HydrophobicContact CG-CD1 4.34Å
885	I	75.1	Confident	77.4	Confident	16 Å²	16	55.2 Å²	55.2	8%	0.082	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	146.3	176.6	57.8	168.1	0	0	0	111.6	A869 W907 A908 V911 L912	A869-I885 HydrophobicContact CB-CD1 4.09Å; A869-I885 HydrophobicContact CB-CG1 3.86Å; A869-I885 PolarHBondContact N-O 3.47Å; A869-I885 WeakPolarHBondContact O-CG1 3.24Å; A869-I885 PolarHBondContact O-N 3.46Å; I885-W907 HydrophobicContact CB-CH2 3.78Å; I885-W907 HydrophobicContact CB-CZ2 4.18Å; I885-W907 HydrophobicContact CD1-CH2 3.62Å; I885-W907 HydrophobicContact CD1-CZ2 4.07Å; I885-W907 HydrophobicContact CD1-CZ3 3.98Å; I885-W907 HydrophobicContact CG1-CH2 3.59Å; I885-W907 HydrophobicContact CG1-CZ2 4.31Å; I885-W907 HydrophobicContact CG1-CZ3 4.15Å; I885-A908 HydrophobicContact CD1-CB 4.2Å; I885-V911 HydrophobicContact CD1-CB 3.98Å; I885-V911 HydrophobicContact CD1-CG1 3.88Å; I885-V911 HydrophobicContact CG2-CG1 4.12Å; I885-L912 HydrophobicContact CD1-CD1 3.93Å; I885-L912 HydrophobicContact CD1-CD2 4.15Å; I885-L912 HydrophobicContact CD1-CG 3.8Å
886	S	76.1	Confident	77.1	Confident	9 Å²	9	52.6 Å²	52.6	6%	0.063	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	155.3	167.4	58.3	0	0	0	0	111.4	L867 W907 L973 V978	L867-S886 WeakPolarHBondContact O-CA 3.2Å; L867-S886 WeakPolarHBondContact O-CB 3.3Å; S886-W907 VanDerWaalsContact CA-CH2 3.46Å; S886-L973 VanDerWaalsContact CB-O 3.24Å; S886-L973 WeakPolarHBondContact CB-O 3.45Å; S886-V978 PolarHBondContact OG-N 3.13Å; S886-V978 VanDerWaalsContact OG-N 3.17Å
887	R	76.8	Confident	76.8	Confident	8 Å²	8	48.4 Å²	48.4	3%	0.03	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	152	168.4	78.9	155.8	-179.5	98.9	-2.1	114.5	L867 E893 W907 P977 V978 E982 M987	L867-R887 HydrophobicContact CB-CG 4.45Å; L867-R887 HydrophobicContact CD1-CG 4.11Å; L867-R887 HydrophobicContact CG-CG 4.48Å; L867-R887 PolarHBondContact N-O 2.84Å; L867-R887 VanDerWaalsContact N-O 3.09Å; L867-R887 PolarHBondContact O-N 2.64Å; R887-E893 IonicContact CZ-OE1 3.14Å; R887-E893 IonicContact CZ-OE2 2.75Å; R887-E893 IonicContact NH1-OE1 2.74Å; R887-E893 PolarHBondContact NH1-OE1 2.81Å; R887-E893 IonicContact NH1-OE2 3.84Å; R887-E893 PolarHBondContact NH1-OE2 2.9Å; R887-E893 IonicContact NH2-OE1 2.76Å; R887-E893 PolarHBondContact NH2-OE1 3.33Å; R887-E893 IonicContact NH2-OE2 3.17Å; R887-W907 HydrophobicContact CB-CZ2 4Å; R887-W907 HydrophobicContact CG-CD2 4.05Å; R887-W907 HydrophobicContact CG-CG 4.31Å; R887-W907 HydrophobicContact CG-CZ2 4.05Å; R887-P977 VanDerWaalsContact C-CG 3.43Å; R887-P977 WeakPolarHBondContact O-CB 3.36Å; R887-P977 WeakPolarHBondContact O-CG 3.41Å; R887-V978 VanDerWaalsContact CA-O 3.3Å; R887-V978 WeakPolarHBondContact CA-O 3.32Å; R887-E982 PolarHBondContact NH1-O 3.25Å; R887-E982 VanDerWaalsContact NH1-O 3.15Å; R887-M987 PolarHBondContact NH2-SD 2.85Å; R887-M987 VanDerWaalsContact NH2-SD 3.4Å
888	K	75.8	Confident	76.8	Confident	67 Å²	67	50.9 Å²	50.9	29%	0.291	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	140	171.3	-75.4	-178.4	-173.5	177.4	0	111.8	P977 G979 P981	K888-P977 VanDerWaalsContact CA-CG 3.48Å; K888-P977 HydrophobicContact CB-CG 4.19Å; K888-P977 WeakPolarHBondContact CE-O 3.35Å; K888-P977 HydrophobicContact CG-CG 3.54Å; K888-G979 VanDerWaalsContact CD-O 3.32Å; K888-G979 WeakPolarHBondContact CD-O 3.35Å; K888-G979 WeakPolarHBondContact CG-O 3.44Å; K888-P981 HydrophobicContact CB-CB 4.15Å; K888-P981 WeakPolarHBondContact O-CA 3.46Å; K888-P981 WeakPolarHBondContact O-CB 3.31Å
889	L	78.1	Confident	77.1	Confident	6 Å²	6	46.3 Å²	46.3	3%	0.031	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-68.2	146.6	161.7	-64.3	-172.9	0	0	0	109.8	S863 S865 L867 E893 E894 L900 L903	S863-L889 WeakPolarHBondContact O-CD1 3.3Å; S865-L889 PolarHBondContact O-N 2.96Å; L867-L889 HydrophobicContact CD1-CD2 4.38Å; L867-L889 HydrophobicContact CD2-CD2 3.64Å; L867-L889 HydrophobicContact CG-CD2 3.76Å; L889-E893 HydrophobicContact CB-CB 4.08Å; L889-E893 HydrophobicContact CD2-CB 3.95Å; L889-E893 HydrophobicContact CG-CB 4.4Å; L889-E894 HydrophobicContact CB-CG 4.07Å; L889-L900 HydrophobicContact CD1-CD1 4.47Å; L889-L900 HydrophobicContact CD1-CD2 3.69Å; L889-L900 HydrophobicContact CD2-CD2 4.02Å; L889-L903 HydrophobicContact CD2-CD2 4.4Å
890	S	77.1	Confident	77.5	Confident	15 Å²	15	43 Å²	43	11%	0.105	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-79.9	158.7	164.8	63.9	0	0	0	0	110.9	A892 E893 E894	S890-A892 CarbonylContact O-C 3.47Å; S890-A892 PolarHBondContact O-N 2.76Å; S890-E893 VanDerWaalsContact CB-OE2 3.28Å; S890-E893 WeakPolarHBondContact CB-OE2 3.47Å; S890-E893 PolarHBondContact N-OE2 3.48Å; S890-E893 PolarHBondContact O-N 2.9Å; S890-E893 VanDerWaalsContact OG-CD 3.25Å; S890-E893 WeakPolarHBondContact OG-CG 3.41Å; S890-E893 PolarHBondContact OG-OE2 3.33Å; S890-E894 PolarHBondContact O-N 2.98Å
891	P	74.8	Confident	77.8	Confident	84 Å²	84	42.6 Å²	42.6	55%	0.545	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	6.6	176.2	-24.6	35.7	0	0	0	116.5	E894 K895	P891-E894 WeakPolarHBondContact CA-OE2 3.38Å; P891-K895 WeakPolarHBondContact O-CE 3.36Å; P891-K895 PolarHBondContact O-NZ 2.76Å
892	A	74.4	Confident	78	Confident	61 Å²	61	41.7 Å²	41.7	50%	0.504	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-45.6	163.9	0	0	0	0	0	110.6	S890 K895 H896	S890-A892 CarbonylContact O-C 3.47Å; S890-A892 PolarHBondContact O-N 2.76Å; A892-K895 WeakPolarHBondContact O-CB 3.4Å; A892-K895 PolarHBondContact O-N 3.39Å; A892-H896 PolarHBondContact O-CD2 3.43Å; A892-H896 PolarHBondContact O-NE2 3.33Å
893	E	81.1	Confident	78.2	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-69.2	-31.8	180	-61.7	160.5	133.3	0	0	112.9	R887 L889 S890 K895 H896 L903 M987	R887-E893 IonicContact CZ-OE1 3.14Å; R887-E893 IonicContact CZ-OE2 2.75Å; R887-E893 IonicContact NH1-OE1 2.74Å; R887-E893 PolarHBondContact NH1-OE1 2.81Å; R887-E893 IonicContact NH1-OE2 3.84Å; R887-E893 PolarHBondContact NH1-OE2 2.9Å; R887-E893 IonicContact NH2-OE1 2.76Å; R887-E893 PolarHBondContact NH2-OE1 3.33Å; R887-E893 IonicContact NH2-OE2 3.17Å; L889-E893 HydrophobicContact CB-CB 4.08Å; L889-E893 HydrophobicContact CD2-CB 3.95Å; L889-E893 HydrophobicContact CG-CB 4.4Å; S890-E893 VanDerWaalsContact CB-OE2 3.28Å; S890-E893 WeakPolarHBondContact CB-OE2 3.47Å; S890-E893 PolarHBondContact N-OE2 3.48Å; S890-E893 PolarHBondContact O-N 2.9Å; S890-E893 VanDerWaalsContact OG-CD 3.25Å; S890-E893 WeakPolarHBondContact OG-CG 3.41Å; S890-E893 PolarHBondContact OG-OE2 3.33Å; E893-K895 PolarHBondContact O-N 2.92Å; E893-H896 VanDerWaalsContact O-CB 3.29Å; E893-H896 WeakPolarHBondContact O-CB 3.43Å; E893-H896 PolarHBondContact O-N 2.73Å; E893-L903 HydrophobicContact CB-CD2 4.15Å; E893-L903 HydrophobicContact CG-CD2 3.87Å; E893-M987 WeakPolarHBondContact OE1-CE 3.32Å
894	E	80.8	Confident	78.6	Confident	98 Å²	98	40.9 Å²	40.9	46%	0.458	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-52.2	-15.9	169.5	-70.8	172.5	179.7	0	0	114.3	L889 S890 P891	L889-E894 HydrophobicContact CB-CG 4.07Å; S890-E894 PolarHBondContact O-N 2.98Å; P891-E894 WeakPolarHBondContact CA-OE2 3.38Å
895	K	79.7	Confident	79.3	Confident	168 Å²	168	39.7 Å²	39.7	73%	0.73	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-105.6	-0.2	-179.3	-61	164.8	-176.5	141.7	0	113.2	P891 A892 E893	P891-K895 WeakPolarHBondContact O-CE 3.36Å; P891-K895 PolarHBondContact O-NZ 2.76Å; A892-K895 WeakPolarHBondContact O-CB 3.4Å; A892-K895 PolarHBondContact O-N 3.39Å; E893-K895 PolarHBondContact O-N 2.92Å
896	H	75.6	Confident	79.8	Confident	27 Å²	27	39.4 Å²	39.4	13%	0.125	22%	0.215	C	C	.	.			trans	-72.7	147.4	172.4	-61.7	176.5	0	0	0	108.8	A892 E893 E899 L900 K942 E984	A892-H896 PolarHBondContact O-CD2 3.43Å; A892-H896 PolarHBondContact O-NE2 3.33Å; E893-H896 VanDerWaalsContact O-CB 3.29Å; E893-H896 WeakPolarHBondContact O-CB 3.43Å; E893-H896 PolarHBondContact O-N 2.73Å; H896-E899 HydrophobicContact CB-CB 4.28Å; H896-E899 IonicContact CD2-OE2 2.66Å; H896-E899 IonicContact CG-OE2 2.74Å; H896-L900 HydrophobicContact CB-CD2 3.86Å; H896-L900 HydrophobicContact CB-CG 3.85Å; H896-L900 WeakPolarHBondContact O-CD1 3.29Å; H896-K942 PolarHBondContact CD2-NZ 2.86Å; H896-K942 PolarHBondContact CE1-NZ 3.23Å; H896-K942 PolarHBondContact ND1-NZ 3.31Å; H896-K942 PolarHBondContact NE2-NZ 3.48Å; H896-E984 IonicContact CE1-OE2 3.72Å; H896-E984 PolarHBondContact CE1-OE2 2.93Å
897	S	72.3	Confident	80.4	Confident	81 Å²	81	39.4 Å²	39.4	57%	0.566	21%	0.213	S	C	*	.	S	Bend	trans	-98.7	-122.7	173.8	57.5	0	0	0	0	109.5	E899 L900	S897-E899 PolarHBondContact O-N 3.29Å; S897-L900 WeakPolarHBondContact O-CB 3.39Å; S897-L900 WeakPolarHBondContact O-CG 3.37Å; S897-L900 PolarHBondContact O-N 3.17Å
898	N	70.7	Confident	81	Confident	127 Å²	127	39 Å²	39	68%	0.679	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	0.9	177.4	-45.3	43	0	0	0	113.9	L900	N898-L900 VanDerWaalsContact C-N 3.29Å
899	E	79.4	Confident	81.7	Confident	34 Å²	34	35.9 Å²	35.9	16%	0.159	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-16.1	170	-43.1	-178.8	123.3	0	0	111.7	H896 S897 L903 K942 F943 W946	H896-E899 HydrophobicContact CB-CB 4.28Å; H896-E899 IonicContact CD2-OE2 2.66Å; H896-E899 IonicContact CG-OE2 2.74Å; S897-E899 PolarHBondContact O-N 3.29Å; E899-L903 WeakPolarHBondContact O-CB 3.35Å; E899-L903 PolarHBondContact O-N 3.18Å; E899-K942 HydrophobicContact CB-CD 4.44Å; E899-K942 IonicContact OE1-NZ 3.93Å; E899-K942 IonicContact OE2-NZ 3.17Å; E899-K942 PolarHBondContact OE2-NZ 3.4Å; E899-F943 HydrophobicContact CB-CZ 4.06Å; E899-F943 HydrophobicContact CG-CE2 4.08Å; E899-F943 HydrophobicContact CG-CZ 3.84Å; E899-W946 HydrophobicContact CB-CH2 3.93Å; E899-W946 HydrophobicContact CB-CZ3 4.04Å; E899-W946 WeakPolarHBondContact O-CH2 3.42Å; E899-W946 WeakPolarHBondContact O-CZ3 3.46Å
900	L	85.3	Confident	82	Confident	9 Å²	9	39.6 Å²	39.6	5%	0.047	21%	0.212	C	C	.	.	H	α-helix	trans	-65.2	-42.3	-177.9	-75.9	175.2	0	0	0	113.5	A862 L889 H896 S897 N898 C902 L903 A904	A862-L900 HydrophobicContact CB-CB 3.67Å; A862-L900 WeakPolarHBondContact CB-O 3.35Å; L889-L900 HydrophobicContact CD1-CD1 4.47Å; L889-L900 HydrophobicContact CD1-CD2 3.69Å; L889-L900 HydrophobicContact CD2-CD2 4.02Å; H896-L900 HydrophobicContact CB-CD2 3.86Å; H896-L900 HydrophobicContact CB-CG 3.85Å; H896-L900 WeakPolarHBondContact O-CD1 3.29Å; S897-L900 WeakPolarHBondContact O-CB 3.39Å; S897-L900 WeakPolarHBondContact O-CG 3.37Å; S897-L900 PolarHBondContact O-N 3.17Å; N898-L900 VanDerWaalsContact C-N 3.29Å; L900-C902 PolarHBondContact O-N 3.14Å; L900-L903 HydrophobicContact CD2-CD2 4.37Å; L900-L903 CarbonylContact O-C 3.59Å; L900-L903 WeakPolarHBondContact O-CA 3.27Å; L900-L903 VanDerWaalsContact O-CB 3.27Å; L900-L903 WeakPolarHBondContact O-CB 3.42Å; L900-L903 PolarHBondContact O-N 2.78Å; L900-A904 PolarHBondContact O-N 3.25Å
901	E	85	Confident	82.2	Confident	21 Å²	21	41.8 Å²	41.8	10%	0.098	22%	0.224	C	C	.	.	H	α-helix	trans	-65.1	-41.6	178.7	-52.1	-42.5	124.8	0	0	112.6	A862 L903 A904 V905 T927 V930	A862-E901 WeakPolarHBondContact CB-OE1 3.41Å; A862-E901 PolarHBondContact N-OE2 2.71Å; E901-L903 PolarHBondContact O-N 2.94Å; E901-A904 PolarHBondContact O-N 3.02Å; E901-V905 PolarHBondContact O-N 2.75Å; E901-V905 VanDerWaalsContact O-N 3.09Å; E901-T927 HydrophobicContact CB-CG2 4.18Å; E901-T927 HydrophobicContact CG-CG2 3.99Å; E901-V930 HydrophobicContact CB-CG2 3.92Å
902	C	84.7	Confident	82.9	Confident	2 Å²	2	37.9 Å²	37.9	1%	0.014	20%	0.199	C	C	.	.	H	α-helix	trans	-62.7	-33.6	171.8	-65.7	0	0	0	0	111.3	L900 V906 L933 F943 W946	L900-C902 PolarHBondContact O-N 3.14Å; C902-V906 WeakPolarHBondContact O-CB 3.46Å; C902-V906 WeakPolarHBondContact O-CG2 3.24Å; C902-V906 PolarHBondContact O-N 2.91Å; C902-L933 HydrophobicContact CB-CD1 4.49Å; C902-L933 HydrophobicContact CB-CD2 4.4Å; C902-F943 HydrophobicContact CB-CD1 4.5Å; C902-F943 HydrophobicContact CB-CE1 3.87Å; C902-W946 HydrophobicContact CB-CE3 3.86Å; C902-W946 HydrophobicContact CB-CZ3 3.69Å
903	L	86.1	Confident	83.5	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-69.8	-38.5	175.2	-178	58.2	0	0	0	112.4	L867 L889 E893 E899 L900 E901 V906 W907 W946 M987	L867-L903 HydrophobicContact CD1-CD2 4.42Å; L867-L903 HydrophobicContact CD1-CG 3.9Å; L867-L903 HydrophobicContact CD2-CB 4.47Å; L867-L903 HydrophobicContact CD2-CD2 4.46Å; L867-L903 HydrophobicContact CD2-CG 4.26Å; L889-L903 HydrophobicContact CD2-CD2 4.4Å; E893-L903 HydrophobicContact CB-CD2 4.15Å; E893-L903 HydrophobicContact CG-CD2 3.87Å; E899-L903 WeakPolarHBondContact O-CB 3.35Å; E899-L903 PolarHBondContact O-N 3.18Å; L900-L903 HydrophobicContact CD2-CD2 4.37Å; L900-L903 CarbonylContact O-C 3.59Å; L900-L903 WeakPolarHBondContact O-CA 3.27Å; L900-L903 VanDerWaalsContact O-CB 3.27Å; L900-L903 WeakPolarHBondContact O-CB 3.42Å; L900-L903 PolarHBondContact O-N 2.78Å; E901-L903 PolarHBondContact O-N 2.94Å; L903-V906 PolarHBondContact O-N 3.49Å; L903-W907 VanDerWaalsContact O-CB 3.31Å; L903-W907 WeakPolarHBondContact O-CB 3.47Å; L903-W907 PolarHBondContact O-N 3.46Å; L903-W946 HydrophobicContact CB-CH2 3.7Å; L903-W946 HydrophobicContact CB-CZ2 3.92Å; L903-W946 HydrophobicContact CB-CZ3 4.4Å; L903-W946 HydrophobicContact CD1-CH2 4.37Å; L903-W946 HydrophobicContact CD1-CZ2 3.69Å; L903-W946 HydrophobicContact CD2-CZ2 4.5Å; L903-W946 HydrophobicContact CG-CH2 4.47Å; L903-W946 HydrophobicContact CG-CZ2 4.23Å; L903-M987 HydrophobicContact CD1-CE 3.89Å
904	A	87.4	Confident	83.7	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-57.7	-50.4	172	0	0	0	0	0	110.6	C860 D861 A862 L867 L900 E901 W907 A908	C860-A904 HydrophobicContact CB-CB 4.49Å; D861-A904 WeakPolarHBondContact O-CB 3.2Å; A862-A904 HydrophobicContact CB-CB 4.1Å; L867-A904 HydrophobicContact CB-CB 4.32Å; L867-A904 HydrophobicContact CD2-CB 4.04Å; L900-A904 PolarHBondContact O-N 3.25Å; E901-A904 PolarHBondContact O-N 3.02Å; A904-W907 PolarHBondContact O-N 3.23Å; A904-A908 WeakPolarHBondContact O-CB 3.29Å; A904-A908 PolarHBondContact O-N 3.42Å
905	V	88.9	Confident	84.1	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-62.7	-45.5	178	170.6	0	0	0	0	112.3	C860 E901 W907 A908 L909 V923 V930 L950 F959	C860-V905 HydrophobicContact CB-CG2 3.6Å; E901-V905 PolarHBondContact O-N 2.75Å; E901-V905 VanDerWaalsContact O-N 3.09Å; V905-W907 VanDerWaalsContact C-N 3.33Å; V905-W907 PolarHBondContact O-N 3.39Å; V905-A908 PolarHBondContact O-N 2.83Å; V905-L909 HydrophobicContact CG1-CD1 3.84Å; V905-L909 HydrophobicContact CG1-CG 4.28Å; V905-L909 WeakPolarHBondContact O-CB 3.22Å; V905-L909 WeakPolarHBondContact O-CG 3.4Å; V905-L909 PolarHBondContact O-N 2.61Å; V905-V923 HydrophobicContact CG1-CG1 4.19Å; V905-V923 HydrophobicContact CG2-CG1 3.71Å; V905-V930 HydrophobicContact CB-CG1 4.32Å; V905-V930 HydrophobicContact CG1-CG1 4.33Å; V905-V930 HydrophobicContact CG2-CG1 4.1Å; V905-L950 HydrophobicContact CG1-CD1 4.39Å; V905-F959 HydrophobicContact CG1-CE1 4.05Å
906	V	86.6	Confident	84.6	Confident	10 Å²	10	31.8 Å²	31.8	6%	0.061	17%	0.165	C	C	.	.	H	α-helix	trans	-59.7	-43	177.8	169.6	0	0	0	0	111.7	C902 L903 R910 W946 L950	C902-V906 WeakPolarHBondContact O-CB 3.46Å; C902-V906 WeakPolarHBondContact O-CG2 3.24Å; C902-V906 PolarHBondContact O-N 2.91Å; L903-V906 PolarHBondContact O-N 3.49Å; V906-R910 WeakPolarHBondContact O-CB 3.16Å; V906-R910 PolarHBondContact O-N 3.05Å; V906-W946 HydrophobicContact CG1-CG 4.31Å; V906-W946 HydrophobicContact CG2-CB 3.62Å; V906-W946 HydrophobicContact CG2-CD2 4.14Å; V906-W946 HydrophobicContact CG2-CG 3.76Å; V906-L950 HydrophobicContact CG2-CD1 3.63Å; V906-L950 HydrophobicContact CG2-CG 4.08Å
907	W	88.2	Confident	85	Confident	9 Å²	9	33.6 Å²	33.6	3%	0.034	18%	0.175	C	C	.	.	H	α-helix	trans	-72.7	-43.9	178.5	161.8	79.4	0	0	0	112	L867 A869 I885 S886 R887 L903 A904 V905 R910 V911 M987	L867-W907 HydrophobicContact CB-CD2 4.39Å; L867-W907 HydrophobicContact CB-CE3 3.74Å; L867-W907 HydrophobicContact CB-CZ3 3.96Å; L867-W907 HydrophobicContact CD1-CB 3.89Å; L867-W907 HydrophobicContact CD1-CD2 4.07Å; L867-W907 HydrophobicContact CD1-CE3 4.07Å; L867-W907 HydrophobicContact CD1-CG 3.99Å; A869-W907 HydrophobicContact CB-CZ3 4.15Å; I885-W907 HydrophobicContact CB-CH2 3.78Å; I885-W907 HydrophobicContact CB-CZ2 4.18Å; I885-W907 HydrophobicContact CD1-CH2 3.62Å; I885-W907 HydrophobicContact CD1-CZ2 4.07Å; I885-W907 HydrophobicContact CD1-CZ3 3.98Å; I885-W907 HydrophobicContact CG1-CH2 3.59Å; I885-W907 HydrophobicContact CG1-CZ2 4.31Å; I885-W907 HydrophobicContact CG1-CZ3 4.15Å; S886-W907 VanDerWaalsContact CA-CH2 3.46Å; R887-W907 HydrophobicContact CB-CZ2 4Å; R887-W907 HydrophobicContact CG-CD2 4.05Å; R887-W907 HydrophobicContact CG-CG 4.31Å; R887-W907 HydrophobicContact CG-CZ2 4.05Å; L903-W907 VanDerWaalsContact O-CB 3.31Å; L903-W907 WeakPolarHBondContact O-CB 3.47Å; L903-W907 PolarHBondContact O-N 3.46Å; A904-W907 PolarHBondContact O-N 3.23Å; V905-W907 VanDerWaalsContact C-N 3.33Å; V905-W907 PolarHBondContact O-N 3.39Å; W907-R910 WeakPolarHBondContact O-CB 3.36Å; W907-R910 PolarHBondContact O-N 3.14Å; W907-V911 HydrophobicContact CZ2-CG2 4.38Å; W907-V911 WeakPolarHBondContact O-CG2 3.22Å; W907-V911 PolarHBondContact O-N 2.91Å; W907-M987 HydrophobicContact CB-SD 4.13Å; W907-M987 HydrophobicContact CG-SD 4.48Å
908	A	89.2	Confident	85.5	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-62.9	-45.6	-179.6	0	0	0	0	0	111.8	C860 A869 I885 A904 V905 R910 V911 L912	C860-A908 WeakPolarHBondContact SG-CB 3.4Å; A869-A908 HydrophobicContact CB-CB 3.63Å; I885-A908 HydrophobicContact CD1-CB 4.2Å; A904-A908 WeakPolarHBondContact O-CB 3.29Å; A904-A908 PolarHBondContact O-N 3.42Å; V905-A908 PolarHBondContact O-N 2.83Å; A908-R910 VanDerWaalsContact C-N 3.29Å; A908-R910 PolarHBondContact O-N 2.83Å; A908-V911 PolarHBondContact O-N 3.45Å; A908-L912 WeakPolarHBondContact O-CB 3.37Å; A908-L912 WeakPolarHBondContact O-CG 3.45Å; A908-L912 PolarHBondContact O-N 2.89Å
909	L	90	Very high	86.3	Confident	2 Å²	2	30.6 Å²	30.6	1%	0.01	17%	0.166	C	C	.	.	H	α-helix	trans	-69.8	-24.4	176.4	-61.1	-178	0	0	0	112.9	V858 V905 R913 V916 F921 V923 L950 F953	V858-L909 HydrophobicContact CG1-CD2 4.38Å; V905-L909 HydrophobicContact CG1-CD1 3.84Å; V905-L909 HydrophobicContact CG1-CG 4.28Å; V905-L909 WeakPolarHBondContact O-CB 3.22Å; V905-L909 WeakPolarHBondContact O-CG 3.4Å; V905-L909 PolarHBondContact O-N 2.61Å; L909-R913 WeakPolarHBondContact O-CA 3.36Å; L909-R913 WeakPolarHBondContact O-CB 3.41Å; L909-R913 PolarHBondContact O-N 3.39Å; L909-V916 HydrophobicContact CD2-CG2 4.28Å; L909-F921 HydrophobicContact CD1-CE2 4.25Å; L909-F921 HydrophobicContact CD1-CZ 4.4Å; L909-F921 HydrophobicContact CD2-CD2 4.4Å; L909-F921 HydrophobicContact CD2-CE2 3.49Å; L909-F921 VanDerWaalsContact CD2-CE2 3.49Å; L909-F921 HydrophobicContact CD2-CZ 4.01Å; L909-V923 HydrophobicContact CD1-CG2 4.18Å; L909-V923 HydrophobicContact CD2-CG2 4.03Å; L909-L950 HydrophobicContact CB-CD2 3.88Å; L909-L950 HydrophobicContact CD1-CD2 3.81Å; L909-L950 HydrophobicContact CG-CD2 4.44Å; L909-F953 HydrophobicContact CB-CD2 4.33Å; L909-F953 HydrophobicContact CB-CE2 3.87Å; L909-F953 HydrophobicContact CB-CZ 4.22Å; L909-F953 HydrophobicContact CD1-CD2 4.31Å; L909-F953 WeakPolarHBondContact O-CZ 3.46Å
910	R	84.6	Confident	86.8	Confident	84 Å²	84	34.4 Å²	34.4	32%	0.317	19%	0.192	S	C	.	.	H	α-helix	trans	-68.5	-41.5	169.2	-169	-179.7	90.3	114.4	0.5	111.8	V906 W907 A908 E982	V906-R910 WeakPolarHBondContact O-CB 3.16Å; V906-R910 PolarHBondContact O-N 3.05Å; W907-R910 WeakPolarHBondContact O-CB 3.36Å; W907-R910 PolarHBondContact O-N 3.14Å; A908-R910 VanDerWaalsContact C-N 3.29Å; A908-R910 PolarHBondContact O-N 2.83Å; R910-E982 IonicContact CZ-OE2 2.64Å; R910-E982 IonicContact NH2-OE1 2.67Å; R910-E982 PolarHBondContact NH2-OE1 2.97Å; R910-E982 IonicContact NH2-OE2 2.73Å; R910-E982 PolarHBondContact NH2-OE2 2.83Å
911	V	81.4	Confident	87.2	Confident	60 Å²	60	34.3 Å²	34.3	36%	0.364	19%	0.191	S	C	.	.	H	α-helix	trans	-76	-45.8	-178.9	173.5	0	0	0	0	111.7	I885 W907 A908 R913	I885-V911 HydrophobicContact CD1-CB 3.98Å; I885-V911 HydrophobicContact CD1-CG1 3.88Å; I885-V911 HydrophobicContact CG2-CG1 4.12Å; W907-V911 HydrophobicContact CZ2-CG2 4.38Å; W907-V911 WeakPolarHBondContact O-CG2 3.22Å; W907-V911 PolarHBondContact O-N 2.91Å; A908-V911 PolarHBondContact O-N 3.45Å; V911-R913 VanDerWaalsContact C-N 3.26Å; V911-R913 PolarHBondContact O-N 2.99Å
912	L	88.5	Confident	87.4	Confident	2 Å²	2	37.3 Å²	37.3	1%	0.01	20%	0.202	C	C	.	.	S	Bend	trans	-85.4	5.6	-177.2	-59.2	172.1	0	0	0	113.4	V858 L871 T883 I885 A908 P914 Y915 V916	V858-L912 HydrophobicContact CG1-CD1 3.61Å; V858-L912 HydrophobicContact CG2-CD1 4.29Å; L871-L912 HydrophobicContact CB-CD1 4.08Å; L871-L912 HydrophobicContact CB-CD2 4.1Å; L871-L912 HydrophobicContact CD2-CD2 4.38Å; T883-L912 HydrophobicContact CG2-CD2 3.82Å; I885-L912 HydrophobicContact CD1-CD1 3.93Å; I885-L912 HydrophobicContact CD1-CD2 4.15Å; I885-L912 HydrophobicContact CD1-CG 3.8Å; A908-L912 WeakPolarHBondContact O-CB 3.37Å; A908-L912 WeakPolarHBondContact O-CG 3.45Å; A908-L912 PolarHBondContact O-N 2.89Å; L912-P914 VanDerWaalsContact C-N 3.28Å; L912-P914 WeakPolarHBondContact O-CD 3.48Å; L912-P914 VanDerWaalsContact O-N 3.1Å; L912-Y915 HydrophobicContact CB-CD2 4.31Å; L912-Y915 HydrophobicContact CD2-CD2 4.06Å; L912-Y915 HydrophobicContact CD2-CE2 4.15Å; L912-Y915 PolarHBondContact O-N 3.46Å; L912-V916 PolarHBondContact O-N 3.22Å
913	R	89	Confident	87.7	Confident	93 Å²	93	37.2 Å²	37.2	35%	0.351	20%	0.201	S	C	.	.	H	α-helix	trans	-44.3	-39.9	179.6	-171	174	179.3	-75.9	-2.9	114.7	L909 V911 Y915 V916 L917 E952 F953	L909-R913 WeakPolarHBondContact O-CA 3.36Å; L909-R913 WeakPolarHBondContact O-CB 3.41Å; L909-R913 PolarHBondContact O-N 3.39Å; V911-R913 VanDerWaalsContact C-N 3.26Å; V911-R913 PolarHBondContact O-N 2.99Å; R913-Y915 VanDerWaalsContact C-N 3.29Å; R913-Y915 PolarHBondContact O-N 2.89Å; R913-V916 PolarHBondContact O-N 3.37Å; R913-L917 HydrophobicContact CG-CB 4.25Å; R913-L917 WeakPolarHBondContact O-CB 3.24Å; R913-L917 PolarHBondContact O-N 3.28Å; R913-E952 IonicContact CZ-OE2 2.7Å; R913-E952 IonicContact NE-OE1 2.72Å; R913-E952 IonicContact NE-OE2 3.78Å; R913-E952 PolarHBondContact NE-OE2 2.99Å; R913-E952 IonicContact NH2-OE2 2.72Å; R913-E952 PolarHBondContact NH2-OE2 2.84Å; R913-F953 HydrophobicContact CB-CZ 4.34Å; R913-F953 HydrophobicContact CG-CE1 4.2Å; R913-F953 HydrophobicContact CG-CZ 3.95Å
914	P	85.2	Confident	87.8	Confident	85 Å²	85	37.2 Å²	37.2	55%	0.552	20%	0.201	S	C	*	.	H	α-helix	trans	-60.6	-33.9	177.5	-24.8	36.2	0	0	0	114.4	L912 R919	L912-P914 VanDerWaalsContact C-N 3.28Å; L912-P914 WeakPolarHBondContact O-CD 3.48Å; L912-P914 VanDerWaalsContact O-N 3.1Å; P914-R919 PolarHBondContact O-NH1 3.3Å
915	Y	88	Confident	87.8	Confident	22 Å²	22	37.3 Å²	37.3	9%	0.086	20%	0.202	C	C	.	.	H	α-helix	trans	-82.2	-37.9	-178.8	-53.8	-76.3	0	0	0	112.3	D638 F850 L871 V882 T883 L912 R913 R919	D638-Y915 VanDerWaalsContact CG-OH 3.26Å; D638-Y915 PolarHBondContact OD1-OH 3.36Å; D638-Y915 WeakPolarHBondContact OD2-CE1 3.39Å; D638-Y915 PolarHBondContact OD2-OH 3.03Å; F850-Y915 HydrophobicContact CB-CD1 4.2Å; F850-Y915 HydrophobicContact CB-CE1 4.28Å; F850-Y915 HydrophobicContact CD1-CD1 4.43Å; F850-Y915 AromaticContact CD2-CD1 3.71Å; F850-Y915 HydrophobicContact CD2-CD1 3.71Å; F850-Y915 HydrophobicContact CD2-CG 4.37Å; F850-Y915 HydrophobicContact CE2-CD1 4.17Å; F850-Y915 HydrophobicContact CE2-CG 4.47Å; F850-Y915 AromaticContact CG-CD1 3.86Å; F850-Y915 HydrophobicContact CG-CD1 3.86Å; F850-Y915 HydrophobicContact CG-CE1 4.44Å; L871-Y915 HydrophobicContact CD2-CD1 3.8Å; L871-Y915 HydrophobicContact CD2-CD2 3.45Å; L871-Y915 VanDerWaalsContact CD2-CD2 3.45Å; L871-Y915 HydrophobicContact CD2-CE1 4.27Å; L871-Y915 HydrophobicContact CD2-CE2 3.93Å; L871-Y915 HydrophobicContact CD2-CG 3.36Å; V882-Y915 HydrophobicContact CG1-CE1 4.34Å; T883-Y915 HydrophobicContact CG2-CE2 4.46Å; L912-Y915 HydrophobicContact CB-CD2 4.31Å; L912-Y915 HydrophobicContact CD2-CD2 4.06Å; L912-Y915 HydrophobicContact CD2-CE2 4.15Å; L912-Y915 PolarHBondContact O-N 3.46Å; R913-Y915 VanDerWaalsContact C-N 3.29Å; R913-Y915 PolarHBondContact O-N 2.89Å; Y915-R919 PolarHBondContact O-NH1 3.07Å
916	V	89.6	Confident	87.4	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-100.6	-19.4	-169.7	-58.9	0	0	0	0	115.5	I856 V858 L909 L912 R913 G918 R919 F921 F953	I856-V916 HydrophobicContact CG2-CG1 4.34Å; V858-V916 HydrophobicContact CG2-CG1 3.81Å; L909-V916 HydrophobicContact CD2-CG2 4.28Å; L912-V916 PolarHBondContact O-N 3.22Å; R913-V916 PolarHBondContact O-N 3.37Å; V916-G918 PolarHBondContact O-N 3.01Å; V916-R919 PolarHBondContact O-N 3.48Å; V916-F921 HydrophobicContact CB-CD1 3.7Å; V916-F921 HydrophobicContact CB-CD2 4.21Å; V916-F921 HydrophobicContact CB-CE1 3.72Å; V916-F921 HydrophobicContact CB-CE2 4.23Å; V916-F921 HydrophobicContact CB-CG 3.94Å; V916-F921 HydrophobicContact CB-CZ 3.98Å; V916-F921 HydrophobicContact CG1-CB 4.38Å; V916-F921 HydrophobicContact CG1-CD1 4.27Å; V916-F921 HydrophobicContact CG1-CD2 4.07Å; V916-F921 HydrophobicContact CG1-CE2 4.4Å; V916-F921 HydrophobicContact CG1-CG 3.99Å; V916-F921 HydrophobicContact CG2-CE1 4.2Å; V916-F921 HydrophobicContact CG2-CE2 4.48Å; V916-F921 HydrophobicContact CG2-CZ 4.1Å; V916-F953 HydrophobicContact CG2-CD1 4.21Å; V916-F953 HydrophobicContact CG2-CE1 3.76Å; V916-F953 HydrophobicContact CG2-CZ 4.45Å
917	L	85	Confident	86.9	Confident	64 Å²	64	40.9 Å²	40.9	34%	0.335	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	127.6	-179.9	-174.7	76.1	0	0	0	110.9	R913 R919 E952 F953	R913-L917 HydrophobicContact CG-CB 4.25Å; R913-L917 WeakPolarHBondContact O-CB 3.24Å; R913-L917 PolarHBondContact O-N 3.28Å; L917-R919 PolarHBondContact O-N 3.01Å; L917-E952 HydrophobicContact CD1-CB 4.48Å; L917-F953 HydrophobicContact CB-CE1 4.39Å; L917-F953 HydrophobicContact CD1-CD1 4.4Å; L917-F953 HydrophobicContact CD1-CE1 4.08Å
918	G	81.9	Confident	86	Confident	77 Å²	77	44 Å²	44	79%	0.794	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.6	-2.7	178.6	0	0	0	0	0	115.3	V916	V916-G918 PolarHBondContact O-N 3.01Å
919	R	88.9	Confident	84.9	Confident	68 Å²	68	45.6 Å²	45.6	26%	0.257	26%	0.258	S	S	.	.	S	Bend	trans	-107.8	159	173.2	-57.1	-173	-171.5	82.1	3.4	109.8	E852 I856 P914 Y915 V916 L917 F921 S956	E852-R919 IonicContact OE1-CZ 2.64Å; E852-R919 IonicContact OE1-NE 3.36Å; E852-R919 PolarHBondContact OE1-NE 3.37Å; E852-R919 IonicContact OE1-NH2 3.96Å; E852-R919 PolarHBondContact OE1-NH2 3.23Å; I856-R919 HydrophobicContact CD1-CB 3.91Å; P914-R919 PolarHBondContact O-NH1 3.3Å; Y915-R919 PolarHBondContact O-NH1 3.07Å; V916-R919 PolarHBondContact O-N 3.48Å; L917-R919 PolarHBondContact O-N 3.01Å; R919-F921 WeakPolarHBondContact O-CD1 3.41Å; R919-S956 VanDerWaalsContact O-CB 3.29Å; R919-S956 WeakPolarHBondContact O-CB 3.3Å; R919-S956 PolarHBondContact O-OG 3.43Å
920	T	89.6	Confident	83.9	Confident	115 Å²	115	45.5 Å²	45.5	71%	0.706	26%	0.258	S	S	*	.			trans	-83.4	135.6	170	44.4	0	0	0	0	110.3	S956	T920-S956 WeakPolarHBondContact CA-O 3.44Å
921	F	92.7	Very high	83.2	Confident	7 Å²	7	47.3 Å²	47.3	3%	0.031	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	156.5	-176.5	66.3	-82.4	0	0	0	112.6	I856 V858 L909 V916 R919 V923 F953 S956 V957 E958	I856-F921 HydrophobicContact CB-CB 3.81Å; I856-F921 HydrophobicContact CD1-CB 4.46Å; I856-F921 HydrophobicContact CG2-CB 3.99Å; V858-F921 HydrophobicContact CG2-CD2 4.31Å; L909-F921 HydrophobicContact CD1-CE2 4.25Å; L909-F921 HydrophobicContact CD1-CZ 4.4Å; L909-F921 HydrophobicContact CD2-CD2 4.4Å; L909-F921 HydrophobicContact CD2-CE2 3.49Å; L909-F921 VanDerWaalsContact CD2-CE2 3.49Å; L909-F921 HydrophobicContact CD2-CZ 4.01Å; V916-F921 HydrophobicContact CB-CD1 3.7Å; V916-F921 HydrophobicContact CB-CD2 4.21Å; V916-F921 HydrophobicContact CB-CE1 3.72Å; V916-F921 HydrophobicContact CB-CE2 4.23Å; V916-F921 HydrophobicContact CB-CG 3.94Å; V916-F921 HydrophobicContact CB-CZ 3.98Å; V916-F921 HydrophobicContact CG1-CB 4.38Å; V916-F921 HydrophobicContact CG1-CD1 4.27Å; V916-F921 HydrophobicContact CG1-CD2 4.07Å; V916-F921 HydrophobicContact CG1-CE2 4.4Å; V916-F921 HydrophobicContact CG1-CG 3.99Å; V916-F921 HydrophobicContact CG2-CE1 4.2Å; V916-F921 HydrophobicContact CG2-CE2 4.48Å; V916-F921 HydrophobicContact CG2-CZ 4.1Å; R919-F921 WeakPolarHBondContact O-CD1 3.41Å; F921-V923 HydrophobicContact CD2-CG2 4.11Å; F921-V923 HydrophobicContact CE2-CG2 3.75Å; F921-F953 HydrophobicContact CE1-CB 4.31Å; F921-F953 HydrophobicContact CE1-CD1 4.15Å; F921-F953 HydrophobicContact CZ-CB 3.99Å; F921-F953 HydrophobicContact CZ-CD1 4.04Å; F921-F953 HydrophobicContact CZ-CG 4.14Å; F921-S956 PolarHBondContact N-O 3.36Å; F921-V957 HydrophobicContact CD2-CB 4.48Å; F921-V957 HydrophobicContact CD2-CG2 4.08Å; F921-V957 HydrophobicContact CE1-CB 4.14Å; F921-V957 HydrophobicContact CE2-CB 3.82Å; F921-V957 HydrophobicContact CE2-CG2 3.49Å; F921-V957 VanDerWaalsContact CE2-CG2 3.49Å; F921-V957 HydrophobicContact CZ-CB 3.64Å; F921-V957 HydrophobicContact CZ-CG2 3.86Å; F921-V957 WeakPolarHBondContact O-CA 3.45Å; F921-E958 PolarHBondContact O-N 3.14Å
922	R	90.9	Very high	82.5	Confident	83 Å²	83	51.3 Å²	51.3	31%	0.313	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	135.7	174.5	-81.1	148	58.8	100.9	-8.6	110.8	I856 E857 V858 E958 V960	I856-R922 PolarHBondContact O-N 3.18Å; E857-R922 HydrophobicContact CG-CB 4.16Å; E857-R922 IonicContact OE1-CZ 3.5Å; E857-R922 VanDerWaalsContact OE1-CZ 3.26Å; E857-R922 IonicContact OE1-NE 3.99Å; E857-R922 PolarHBondContact OE1-NE 3.18Å; E857-R922 IonicContact OE1-NH2 3.26Å; E857-R922 PolarHBondContact OE1-NH2 3.41Å; V858-R922 PolarHBondContact N-O 3Å; R922-E958 CarbonylContact C-O 3.28Å; R922-E958 WeakPolarHBondContact CA-O 3.46Å; R922-E958 VanDerWaalsContact CD-OE2 3.31Å; R922-E958 WeakPolarHBondContact CD-OE2 3.33Å; R922-E958 HydrophobicContact CG-CB 3.85Å; R922-E958 HydrophobicContact CG-CG 4.34Å; R922-E958 WeakPolarHBondContact CG-OE2 3.42Å; R922-E958 IonicContact NH1-OE1 2.79Å; R922-E958 IonicContact NH1-OE2 3.54Å; R922-E958 PolarHBondContact NH1-OE2 3.25Å; R922-V960 HydrophobicContact CB-CG2 4.43Å; R922-V960 HydrophobicContact CG-CG2 4.06Å
923	V	90.7	Very high	81.5	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	116.6	163.4	173.7	0	0	0	0	108.8	V858 V905 L909 F921 V957 E958 F959 V960	V858-V923 HydrophobicContact CB-CG2 4.48Å; V858-V923 CarbonylContact O-C 3.49Å; V858-V923 VanDerWaalsContact O-CA 3.26Å; V858-V923 WeakPolarHBondContact O-CA 3.37Å; V905-V923 HydrophobicContact CG1-CG1 4.19Å; V905-V923 HydrophobicContact CG2-CG1 3.71Å; L909-V923 HydrophobicContact CD1-CG2 4.18Å; L909-V923 HydrophobicContact CD2-CG2 4.03Å; F921-V923 HydrophobicContact CD2-CG2 4.11Å; F921-V923 HydrophobicContact CE2-CG2 3.75Å; V923-V957 HydrophobicContact CB-CG2 4.15Å; V923-V957 HydrophobicContact CG2-CG2 3.55Å; V923-E958 PolarHBondContact N-O 3.22Å; V923-F959 HydrophobicContact CB-CD1 3.75Å; V923-F959 HydrophobicContact CB-CE1 3.77Å; V923-F959 HydrophobicContact CG1-CD1 3.87Å; V923-F959 HydrophobicContact CG1-CE1 3.82Å; V923-F959 HydrophobicContact CG2-CE1 4.16Å; V923-V960 PolarHBondContact O-N 2.89Å
924	V	88.2	Confident	80.3	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	134	174.6	-169.1	0	0	0	0	108.8	E857 V858 H859 C860 V960 R962	E857-V924 HydrophobicContact CB-CG2 4.38Å; V858-V924 PolarHBondContact O-N 3.08Å; H859-V924 CarbonylContact C-O 3.59Å; H859-V924 WeakPolarHBondContact CA-O 3.41Å; H859-V924 HydrophobicContact CB-CB 4.06Å; C860-V924 PolarHBondContact N-O 2.84Å; V924-V960 WeakPolarHBondContact CA-O 3.5Å; V924-R962 HydrophobicContact CG1-CB 3.54Å; V924-R962 HydrophobicContact CG1-CG 4.5Å
925	T	86.2	Confident	79.4	Confident	3 Å²	3	49.8 Å²	49.8	2%	0.018	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	152.5	179.1	176.4	0	0	0	0	111.7	C860 T927 V930 V960 H961 R962	C860-T925 PolarHBondContact O-OG1 3.27Å; T925-T927 PolarHBondContact O-N 2.74Å; T925-T927 PolarHBondContact OG1-N 3.19Å; T925-V930 HydrophobicContact CG2-CB 4.26Å; T925-V930 HydrophobicContact CG2-CG2 4.2Å; T925-V960 PolarHBondContact N-O 2.78Å; T925-V960 VanDerWaalsContact N-O 3.09Å; T925-H961 WeakPolarHBondContact O-CA 3.46Å; T925-H961 PolarHBondContact O-ND1 3.42Å; T925-R962 PolarHBondContact O-N 3.3Å; T925-R962 VanDerWaalsContact O-N 3.1Å
926	D	80.4	Confident	78.2	Confident	53 Å²	53	52.9 Å²	52.9	28%	0.283	28%	0.282	S	S	.	.	S	Bend	trans	-65.5	-18.8	173.8	104.4	-46.9	0	0	0	112.6	H961 R962	D926-H961 PolarHBondContact O-CE1 2.65Å; D926-H961 PolarHBondContact O-ND1 2.96Å; D926-R962 WeakPolarHBondContact CA-O 3.24Å
927	T	75.8	Confident	76.4	Confident	32 Å²	32	62.9 Å²	62.9	20%	0.196	33%	0.326	C	S	.	.			trans	-122.1	113.1	-164.5	-81.1	0	0	0	0	113.2	E901 T925 A929 V930	E901-T927 HydrophobicContact CB-CG2 4.18Å; E901-T927 HydrophobicContact CG-CG2 3.99Å; T925-T927 PolarHBondContact O-N 2.74Å; T925-T927 PolarHBondContact OG1-N 3.19Å; T927-A929 HydrophobicContact CG2-CB 3.54Å; T927-A929 PolarHBondContact O-N 2.99Å; T927-V930 HydrophobicContact CG2-CG2 4.39Å; T927-V930 PolarHBondContact O-N 3.23Å
928	S	69.4	Low	74.6	Confident	75 Å²	75	68.9 Å²	68.9	52%	0.524	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-60.8	-16	175.6	63.7	0	0	0	0	114.5	V930 K931	S928-V930 PolarHBondContact O-N 3.06Å; S928-K931 WeakPolarHBondContact O-CB 3.4Å; S928-K931 PolarHBondContact O-N 3.27Å
929	A	66.3	Low	73.3	Confident	33 Å²	33	67.3 Å²	67.3	27%	0.273	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-66.5	-20.5	178.9	0	0	0	0	0	114	T927 K936	T927-A929 HydrophobicContact CG2-CB 3.54Å; T927-A929 PolarHBondContact O-N 2.99Å; A929-K936 PolarHBondContact O-NZ 3.23Å
930	V	69.9	Low	72.1	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-74.8	-31.3	175.7	-166.8	0	0	0	0	111.7	E901 V905 T925 T927 S928 W932 L933 F959	E901-V930 HydrophobicContact CB-CG2 3.92Å; V905-V930 HydrophobicContact CB-CG1 4.32Å; V905-V930 HydrophobicContact CG1-CG1 4.33Å; V905-V930 HydrophobicContact CG2-CG1 4.1Å; T925-V930 HydrophobicContact CG2-CB 4.26Å; T925-V930 HydrophobicContact CG2-CG2 4.2Å; T927-V930 HydrophobicContact CG2-CG2 4.39Å; T927-V930 PolarHBondContact O-N 3.23Å; S928-V930 PolarHBondContact O-N 3.06Å; V930-W932 PolarHBondContact O-N 2.92Å; V930-L933 HydrophobicContact CG1-CD2 4.28Å; V930-L933 WeakPolarHBondContact O-CB 3.28Å; V930-L933 PolarHBondContact O-N 2.88Å; V930-F959 HydrophobicContact CG1-CD1 4.08Å; V930-F959 HydrophobicContact CG1-CE1 3.83Å
931	K	70	Confident	71	Confident	121 Å²	121	69.1 Å²	69.1	53%	0.526	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-28.9	178.5	-171.2	161.6	-172.5	162.3	0	112.9	S928 F959	S928-K931 WeakPolarHBondContact O-CB 3.4Å; S928-K931 PolarHBondContact O-N 3.27Å; K931-F959 HydrophobicContact CB-CB 4.1Å; K931-F959 HydrophobicContact CG-CB 4.07Å
932	W	66.6	Low	69.9	Low	145 Å²	145	70 Å²	70	55%	0.549	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	11.2	178.9	-49.5	102.1	0	0	0	114.5	V930 F934 D935 K936	V930-W932 PolarHBondContact O-N 2.92Å; W932-F934 VanDerWaalsContact C-N 3.32Å; W932-F934 PolarHBondContact O-N 2.96Å; W932-D935 HydrophobicContact CE3-CB 4.39Å; W932-D935 PolarHBondContact O-N 2.94Å; W932-K936 WeakPolarHBondContact O-CD 3.23Å; W932-K936 VanDerWaalsContact O-CG 3.24Å; W932-K936 WeakPolarHBondContact O-CG 3.45Å; W932-K936 PolarHBondContact O-N 2.88Å
933	L	66.8	Low	69.2	Low	2 Å²	2	67.4 Å²	67.4	1%	0.01	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-30.3	-174	-176.8	60.3	0	0	0	113.3	C902 V930 F943 T947 L950	C902-L933 HydrophobicContact CB-CD1 4.49Å; C902-L933 HydrophobicContact CB-CD2 4.4Å; V930-L933 HydrophobicContact CG1-CD2 4.28Å; V930-L933 WeakPolarHBondContact O-CB 3.28Å; V930-L933 PolarHBondContact O-N 2.88Å; L933-F943 HydrophobicContact CD1-CD1 3.71Å; L933-F943 HydrophobicContact CD1-CE1 4.36Å; L933-T947 PolarHBondContact O-OG1 3.2Å; L933-L950 HydrophobicContact CD2-CD1 3.73Å
934	F	65	Low	68.1	Low	42 Å²	42	68.7 Å²	68.7	18%	0.184	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-33.1	173.6	-69	-75.4	0	0	0	112.8	W932 K936 T947 L950 Q954 V957 F959	W932-F934 VanDerWaalsContact C-N 3.32Å; W932-F934 PolarHBondContact O-N 2.96Å; F934-K936 PolarHBondContact O-N 2.89Å; F934-T947 HydrophobicContact CD1-CG2 4.12Å; F934-L950 HydrophobicContact CE1-CB 4.08Å; F934-L950 HydrophobicContact CZ-CB 3.77Å; F934-L950 WeakPolarHBondContact CZ-O 3.5Å; F934-Q954 HydrophobicContact CD1-CB 4.42Å; F934-Q954 HydrophobicContact CD1-CG 4.3Å; F934-Q954 HydrophobicContact CE1-CB 4.07Å; F934-Q954 HydrophobicContact CE1-CG 4.44Å; F934-V957 HydrophobicContact CE2-CG1 3.97Å; F934-F959 AromaticContact CD2-CE2 3.87Å; F934-F959 HydrophobicContact CD2-CE2 3.87Å; F934-F959 HydrophobicContact CD2-CZ 4.45Å; F934-F959 AromaticContact CE2-CE2 3.68Å; F934-F959 HydrophobicContact CE2-CE2 3.68Å; F934-F959 AromaticContact CE2-CZ 3.95Å; F934-F959 HydrophobicContact CE2-CZ 3.95Å
935	D	66.6	Low	67.2	Low	104 Å²	104	72.5 Å²	72.5	56%	0.556	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-11.9	-175.3	-65.2	-33.6	0	0	0	114.9	W932 K937	W932-D935 HydrophobicContact CE3-CB 4.39Å; W932-D935 PolarHBondContact O-N 2.94Å; D935-K937 VanDerWaalsContact C-N 3.33Å; D935-K937 PolarHBondContact O-N 2.88Å
936	K	61.3	Low	66.9	Low	86 Å²	86	72.4 Å²	72.4	37%	0.374	36%	0.364	S	S	.	.			trans	-68.5	84	-178.1	-87.4	164.7	-178.2	161.4	0	112.2	A929 W932 F934 Q938 A939	A929-K936 PolarHBondContact O-NZ 3.23Å; W932-K936 WeakPolarHBondContact O-CD 3.23Å; W932-K936 VanDerWaalsContact O-CG 3.24Å; W932-K936 WeakPolarHBondContact O-CG 3.45Å; W932-K936 PolarHBondContact O-N 2.88Å; F934-K936 PolarHBondContact O-N 2.89Å; K936-Q938 PolarHBondContact O-N 3.32Å; K936-A939 PolarHBondContact O-N 3.39Å
937	K	51.5	Low	66.6	Low	211 Å²	211	71.1 Å²	71.1	92%	0.917	36%	0.358	S	S	*	.	S	Bend	trans	-52.4	-10.6	173.4	-65.6	177.2	-176.7	175	0	115.3	D935	D935-K937 VanDerWaalsContact C-N 3.33Å; D935-K937 PolarHBondContact O-N 2.88Å
938	Q	48.5	Very low	66.3	Low	190 Å²	190	74.9 Å²	74.9	89%	0.888	38%	0.375	S	S	*	.	S	Bend	trans	-135.9	77.8	168.8	-65.3	-173.3	24.3	0	0	110.5	K936	K936-Q938 PolarHBondContact O-N 3.32Å
939	A	54.8	Low	66.3	Low	43 Å²	43	72.4 Å²	72.4	36%	0.355	36%	0.359	S	S	.	.			trans	-74.8	138.9	172.3	0	0	0	0	0	111.6	K936 F943	K936-A939 PolarHBondContact O-N 3.39Å; A939-F943 HydrophobicContact CB-CB 3.87Å
940	N	63.4	Low	66.8	Low	100 Å²	100	70.9 Å²	70.9	54%	0.535	35%	0.346	S	S	.	.			trans	-67.3	157	167.8	-167.6	16.1	0	0	0	110	K942 F943 G944	N940-K942 CarbonylContact O-C 3.57Å; N940-K942 PolarHBondContact O-N 2.76Å; N940-F943 HydrophobicContact CB-CD2 4.03Å; N940-F943 WeakPolarHBondContact O-CA 3.34Å; N940-F943 PolarHBondContact O-N 2.85Å; N940-G944 PolarHBondContact O-N 3.02Å
941	D	65.3	Low	67.1	Low	122 Å²	122	74.9 Å²	74.9	65%	0.652	37%	0.366	S	S	*	.	H	α-helix	trans	-48.9	-33.9	-171.9	-67.3	-4.1	0	0	0	114.4	R945	D941-R945 PolarHBondContact O-N 3.4Å; D941-R945 PolarHBondContact O-NH1 3.25Å
942	K	71.3	Confident	67.5	Low	24 Å²	24	72.1 Å²	72.1	10%	0.104	36%	0.355	C	S	.	.	H	α-helix	trans	-71	-54	174.4	176.1	-175.3	-72.5	179.1	0	112.6	H896 E899 N940 G944 R945 W946 E984	H896-K942 PolarHBondContact CD2-NZ 2.86Å; H896-K942 PolarHBondContact CE1-NZ 3.23Å; H896-K942 PolarHBondContact ND1-NZ 3.31Å; H896-K942 PolarHBondContact NE2-NZ 3.48Å; E899-K942 HydrophobicContact CB-CD 4.44Å; E899-K942 IonicContact OE1-NZ 3.93Å; E899-K942 IonicContact OE2-NZ 3.17Å; E899-K942 PolarHBondContact OE2-NZ 3.4Å; N940-K942 CarbonylContact O-C 3.57Å; N940-K942 PolarHBondContact O-N 2.76Å; K942-G944 PolarHBondContact O-N 2.68Å; K942-R945 WeakPolarHBondContact O-CB 3.32Å; K942-R945 PolarHBondContact O-N 2.8Å; K942-R945 VanDerWaalsContact O-N 3.1Å; K942-W946 HydrophobicContact CD-CH2 3.47Å; K942-W946 VanDerWaalsContact CD-CH2 3.47Å; K942-W946 HydrophobicContact CD-CZ2 3.48Å; K942-W946 VanDerWaalsContact CD-CZ2 3.48Å; K942-W946 HydrophobicContact CD-CZ3 4.08Å; K942-W946 HydrophobicContact CG-CD2 4.02Å; K942-W946 HydrophobicContact CG-CE3 4.27Å; K942-W946 HydrophobicContact CG-CH2 3.81Å; K942-W946 HydrophobicContact CG-CZ2 3.48Å; K942-W946 VanDerWaalsContact CG-CZ2 3.48Å; K942-W946 HydrophobicContact CG-CZ3 4.16Å; K942-W946 PolarHBondContact O-N 2.85Å; K942-W946 VanDerWaalsContact O-N 3.08Å; K942-E984 WeakPolarHBondContact CE-OE2 3.21Å
943	F	74.5	Confident	68.3	Low	30 Å²	30	65.4 Å²	65.4	13%	0.132	33%	0.33	C	S	.	.	H	α-helix	trans	-58.2	-36.4	175.3	-72.1	-66.6	0	0	0	111.4	E899 C902 L933 A939 N940 R945 W946 T947	E899-F943 HydrophobicContact CB-CZ 4.06Å; E899-F943 HydrophobicContact CG-CE2 4.08Å; E899-F943 HydrophobicContact CG-CZ 3.84Å; C902-F943 HydrophobicContact CB-CD1 4.5Å; C902-F943 HydrophobicContact CB-CE1 3.87Å; L933-F943 HydrophobicContact CD1-CD1 3.71Å; L933-F943 HydrophobicContact CD1-CE1 4.36Å; A939-F943 HydrophobicContact CB-CB 3.87Å; N940-F943 HydrophobicContact CB-CD2 4.03Å; N940-F943 WeakPolarHBondContact O-CA 3.34Å; N940-F943 PolarHBondContact O-N 2.85Å; F943-R945 PolarHBondContact O-N 2.85Å; F943-W946 AromaticContact CD1-CE3 3.65Å; F943-W946 HydrophobicContact CD1-CE3 3.65Å; F943-W946 AromaticContact CD1-CZ3 3.96Å; F943-W946 HydrophobicContact CD1-CZ3 3.96Å; F943-W946 AromaticContact CE1-CE3 3.89Å; F943-W946 HydrophobicContact CE1-CE3 3.89Å; F943-W946 AromaticContact CE1-CZ3 3.72Å; F943-W946 HydrophobicContact CE1-CZ3 3.72Å; F943-W946 HydrophobicContact CG-CE3 4.5Å; F943-W946 HydrophobicContact CZ-CZ3 4.43Å; F943-W946 PolarHBondContact O-N 3.01Å; F943-W946 VanDerWaalsContact O-N 3.11Å; F943-T947 PolarHBondContact O-N 2.68Å; F943-T947 PolarHBondContact O-OG1 2.79Å; F943-T947 VanDerWaalsContact O-OG1 3.08Å
944	G	68.9	Low	68.5	Low	27 Å²	27	69.8 Å²	69.8	28%	0.278	35%	0.35	S	S	.	.	H	α-helix	trans	-59.6	-44.1	173.9	0	0	0	0	0	113.2	N940 K942 W946 M948	N940-G944 PolarHBondContact O-N 3.02Å; K942-G944 PolarHBondContact O-N 2.68Å; G944-W946 VanDerWaalsContact C-N 3.3Å; G944-W946 PolarHBondContact O-N 2.85Å; G944-M948 WeakPolarHBondContact O-CB 3.26Å; G944-M948 VanDerWaalsContact O-CG 3.28Å; G944-M948 WeakPolarHBondContact O-CG 3.45Å; G944-M948 PolarHBondContact O-N 2.99Å; G944-M948 VanDerWaalsContact O-N 3.09Å
945	R	69.7	Low	68.9	Low	79 Å²	79	71.7 Å²	71.7	30%	0.298	38%	0.381	S	S	.	.	H	α-helix	trans	-60.4	-39.5	172.2	-71.8	-172	-60.7	-89.8	11.4	112.1	D941 K942 F943 A949 E984 V988 M992	D941-R945 PolarHBondContact O-N 3.4Å; D941-R945 PolarHBondContact O-NH1 3.25Å; K942-R945 WeakPolarHBondContact O-CB 3.32Å; K942-R945 PolarHBondContact O-N 2.8Å; K942-R945 VanDerWaalsContact O-N 3.1Å; F943-R945 PolarHBondContact O-N 2.85Å; R945-A949 WeakPolarHBondContact O-CB 3.2Å; R945-A949 PolarHBondContact O-N 3.16Å; R945-E984 IonicContact CZ-OE1 3.27Å; R945-E984 IonicContact NE-OE1 3.58Å; R945-E984 PolarHBondContact NE-OE1 3.22Å; R945-E984 IonicContact NH2-OE1 2.68Å; R945-E984 PolarHBondContact NH2-OE1 3Å; R945-V988 HydrophobicContact CB-CG1 4.17Å; R945-V988 HydrophobicContact CB-CG2 4.5Å; R945-V988 HydrophobicContact CG-CG1 4.38Å; R945-M992 VanDerWaalsContact CD-SD 3.57Å; R945-M992 HydrophobicContact CG-SD 4.18Å
946	W	78.4	Confident	69.6	Low	1 Å²	1	68 Å²	68	0%	0.004	36%	0.363	C	S	.	.	H	α-helix	trans	-72.9	-43.4	-178.2	-67.1	-9.8	0	0	0	113.3	E899 C902 L903 V906 K942 F943 G944 M948 A949 L950	E899-W946 HydrophobicContact CB-CH2 3.93Å; E899-W946 HydrophobicContact CB-CZ3 4.04Å; E899-W946 WeakPolarHBondContact O-CH2 3.42Å; E899-W946 WeakPolarHBondContact O-CZ3 3.46Å; C902-W946 HydrophobicContact CB-CE3 3.86Å; C902-W946 HydrophobicContact CB-CZ3 3.69Å; L903-W946 HydrophobicContact CB-CH2 3.7Å; L903-W946 HydrophobicContact CB-CZ2 3.92Å; L903-W946 HydrophobicContact CB-CZ3 4.4Å; L903-W946 HydrophobicContact CD1-CH2 4.37Å; L903-W946 HydrophobicContact CD1-CZ2 3.69Å; L903-W946 HydrophobicContact CD2-CZ2 4.5Å; L903-W946 HydrophobicContact CG-CH2 4.47Å; L903-W946 HydrophobicContact CG-CZ2 4.23Å; V906-W946 HydrophobicContact CG1-CG 4.31Å; V906-W946 HydrophobicContact CG2-CB 3.62Å; V906-W946 HydrophobicContact CG2-CD2 4.14Å; V906-W946 HydrophobicContact CG2-CG 3.76Å; K942-W946 HydrophobicContact CD-CH2 3.47Å; K942-W946 VanDerWaalsContact CD-CH2 3.47Å; K942-W946 HydrophobicContact CD-CZ2 3.48Å; K942-W946 VanDerWaalsContact CD-CZ2 3.48Å; K942-W946 HydrophobicContact CD-CZ3 4.08Å; K942-W946 HydrophobicContact CG-CD2 4.02Å; K942-W946 HydrophobicContact CG-CE3 4.27Å; K942-W946 HydrophobicContact CG-CH2 3.81Å; K942-W946 HydrophobicContact CG-CZ2 3.48Å; K942-W946 VanDerWaalsContact CG-CZ2 3.48Å; K942-W946 HydrophobicContact CG-CZ3 4.16Å; K942-W946 PolarHBondContact O-N 2.85Å; K942-W946 VanDerWaalsContact O-N 3.08Å; F943-W946 AromaticContact CD1-CE3 3.65Å; F943-W946 HydrophobicContact CD1-CE3 3.65Å; F943-W946 AromaticContact CD1-CZ3 3.96Å; F943-W946 HydrophobicContact CD1-CZ3 3.96Å; F943-W946 AromaticContact CE1-CE3 3.89Å; F943-W946 HydrophobicContact CE1-CE3 3.89Å; F943-W946 AromaticContact CE1-CZ3 3.72Å; F943-W946 HydrophobicContact CE1-CZ3 3.72Å; F943-W946 HydrophobicContact CG-CE3 4.5Å; F943-W946 HydrophobicContact CZ-CZ3 4.43Å; F943-W946 PolarHBondContact O-N 3.01Å; F943-W946 VanDerWaalsContact O-N 3.11Å; G944-W946 VanDerWaalsContact C-N 3.3Å; G944-W946 PolarHBondContact O-N 2.85Å; W946-M948 VanDerWaalsContact C-N 3.34Å; W946-M948 PolarHBondContact O-N 3.4Å; W946-A949 WeakPolarHBondContact O-CB 3.38Å; W946-A949 PolarHBondContact O-N 3.02Å; W946-A949 VanDerWaalsContact O-N 3.11Å; W946-L950 PolarHBondContact O-N 2.88Å
947	T	73.9	Confident	70.8	Confident	26 Å²	26	65 Å²	65	16%	0.16	35%	0.352	C	S	.	.	H	α-helix	trans	-59.1	-46.7	172	-52.7	0	0	0	0	109.8	L933 F934 F943 A949 L950 M951	L933-T947 PolarHBondContact O-OG1 3.2Å; F934-T947 HydrophobicContact CD1-CG2 4.12Å; F943-T947 PolarHBondContact O-N 2.68Å; F943-T947 PolarHBondContact O-OG1 2.79Å; F943-T947 VanDerWaalsContact O-OG1 3.08Å; T947-A949 VanDerWaalsContact C-N 3.25Å; T947-A949 PolarHBondContact O-N 2.72Å; T947-L950 CarbonylContact O-C 3.52Å; T947-L950 PolarHBondContact O-N 3.01Å; T947-M951 WeakPolarHBondContact O-CG 3.33Å; T947-M951 PolarHBondContact O-N 2.9Å
948	M	69.8	Low	72.4	Confident	111 Å²	111	59.6 Å²	59.6	55%	0.547	33%	0.33	S	S	.	.	H	α-helix	trans	-60.3	-30.6	174.7	-72.5	-61.9	-52.7	0	0	113.8	M1 G944 W946 M951	M1-M948 HydrophobicContact CE-CE 4.24Å; G944-M948 WeakPolarHBondContact O-CB 3.26Å; G944-M948 VanDerWaalsContact O-CG 3.28Å; G944-M948 WeakPolarHBondContact O-CG 3.45Å; G944-M948 PolarHBondContact O-N 2.99Å; G944-M948 VanDerWaalsContact O-N 3.09Å; W946-M948 VanDerWaalsContact C-N 3.34Å; W946-M948 PolarHBondContact O-N 3.4Å; M948-M951 HydrophobicContact CE-SD 4.33Å; M948-M951 HydrophobicContact SD-SD 3.74Å
949	A	69.3	Low	74.2	Confident	23 Å²	23	51.4 Å²	51.4	19%	0.19	29%	0.292	C	S	.	.	H	α-helix	trans	-75.1	-29.2	174.3	0	0	0	0	0	112.9	R945 W946 T947	R945-A949 WeakPolarHBondContact O-CB 3.2Å; R945-A949 PolarHBondContact O-N 3.16Å; W946-A949 WeakPolarHBondContact O-CB 3.38Å; W946-A949 PolarHBondContact O-N 3.02Å; W946-A949 VanDerWaalsContact O-N 3.11Å; T947-A949 VanDerWaalsContact C-N 3.25Å; T947-A949 PolarHBondContact O-N 2.72Å
950	L	78.3	Confident	75.6	Confident	2 Å²	2	50.8 Å²	50.8	1%	0.01	28%	0.284	C	S	.	.	H	α-helix	trans	-99.2	-5.9	-176.6	-68.9	-178	0	0	0	115.1	V905 V906 L909 L933 F934 W946 T947 E952 F953	V905-L950 HydrophobicContact CG1-CD1 4.39Å; V906-L950 HydrophobicContact CG2-CD1 3.63Å; V906-L950 HydrophobicContact CG2-CG 4.08Å; L909-L950 HydrophobicContact CB-CD2 3.88Å; L909-L950 HydrophobicContact CD1-CD2 3.81Å; L909-L950 HydrophobicContact CG-CD2 4.44Å; L933-L950 HydrophobicContact CD2-CD1 3.73Å; F934-L950 HydrophobicContact CE1-CB 4.08Å; F934-L950 HydrophobicContact CZ-CB 3.77Å; F934-L950 WeakPolarHBondContact CZ-O 3.5Å; W946-L950 PolarHBondContact O-N 2.88Å; T947-L950 CarbonylContact O-C 3.52Å; T947-L950 PolarHBondContact O-N 3.01Å; L950-E952 PolarHBondContact O-N 3.15Å; L950-F953 HydrophobicContact CB-CD2 4.48Å; L950-F953 HydrophobicContact CD2-CD2 3.77Å; L950-F953 HydrophobicContact CD2-CE2 3.84Å; L950-F953 PolarHBondContact O-N 3.15Å
951	M	76.1	Confident	76.5	Confident	84 Å²	84	51 Å²	51	41%	0.414	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-54.9	-26	178.4	-84.4	-178.4	74.2	0	0	113.7	T947 M948 F953 Q954	T947-M951 WeakPolarHBondContact O-CG 3.33Å; T947-M951 PolarHBondContact O-N 2.9Å; M948-M951 HydrophobicContact CE-SD 4.33Å; M948-M951 HydrophobicContact SD-SD 3.74Å; M951-F953 PolarHBondContact O-N 3.06Å; M951-Q954 VanDerWaalsContact O-CB 3.31Å; M951-Q954 WeakPolarHBondContact O-CB 3.29Å; M951-Q954 PolarHBondContact O-N 3.02Å; M951-Q954 VanDerWaalsContact O-N 3.13Å
952	E	77.3	Confident	77	Confident	63 Å²	63	47.8 Å²	47.8	29%	0.294	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-70.5	-5.9	176.4	63	-171	127.3	0	0	114.9	R913 L917 L950 R991	R913-E952 IonicContact CZ-OE2 2.7Å; R913-E952 IonicContact NE-OE1 2.72Å; R913-E952 IonicContact NE-OE2 3.78Å; R913-E952 PolarHBondContact NE-OE2 2.99Å; R913-E952 IonicContact NH2-OE2 2.72Å; R913-E952 PolarHBondContact NH2-OE2 2.84Å; L917-E952 HydrophobicContact CD1-CB 4.48Å; L950-E952 PolarHBondContact O-N 3.15Å; E952-R991 IonicContact OE1-CZ 3.73Å; E952-R991 VanDerWaalsContact OE1-CZ 3.25Å; E952-R991 IonicContact OE1-NH1 2.72Å; E952-R991 PolarHBondContact OE1-NH1 2.71Å; E952-R991 IonicContact OE1-NH2 3.52Å; E952-R991 PolarHBondContact OE1-NH2 3.1Å; E952-R991 IonicContact OE2-NH2 3.41Å
953	F	82.7	Confident	77	Confident	4 Å²	4	52.5 Å²	52.5	2%	0.018	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-112.3	3.3	171.4	-47.2	-72.3	0	0	0	112.6	L909 R913 V916 L917 F921 L950 M951 G955 S956 V957	L909-F953 HydrophobicContact CB-CD2 4.33Å; L909-F953 HydrophobicContact CB-CE2 3.87Å; L909-F953 HydrophobicContact CB-CZ 4.22Å; L909-F953 HydrophobicContact CD1-CD2 4.31Å; L909-F953 WeakPolarHBondContact O-CZ 3.46Å; R913-F953 HydrophobicContact CB-CZ 4.34Å; R913-F953 HydrophobicContact CG-CE1 4.2Å; R913-F953 HydrophobicContact CG-CZ 3.95Å; V916-F953 HydrophobicContact CG2-CD1 4.21Å; V916-F953 HydrophobicContact CG2-CE1 3.76Å; V916-F953 HydrophobicContact CG2-CZ 4.45Å; L917-F953 HydrophobicContact CB-CE1 4.39Å; L917-F953 HydrophobicContact CD1-CD1 4.4Å; L917-F953 HydrophobicContact CD1-CE1 4.08Å; F921-F953 HydrophobicContact CE1-CB 4.31Å; F921-F953 HydrophobicContact CE1-CD1 4.15Å; F921-F953 HydrophobicContact CZ-CB 3.99Å; F921-F953 HydrophobicContact CZ-CD1 4.04Å; F921-F953 HydrophobicContact CZ-CG 4.14Å; L950-F953 HydrophobicContact CB-CD2 4.48Å; L950-F953 HydrophobicContact CD2-CD2 3.77Å; L950-F953 HydrophobicContact CD2-CE2 3.84Å; L950-F953 PolarHBondContact O-N 3.15Å; M951-F953 PolarHBondContact O-N 3.06Å; F953-G955 PolarHBondContact O-N 3.29Å; F953-S956 PolarHBondContact O-N 3.3Å; F953-S956 VanDerWaalsContact O-N 3.15Å; F953-V957 HydrophobicContact CB-CG1 4.5Å; F953-V957 WeakPolarHBondContact O-CG1 3.39Å; F953-V957 PolarHBondContact O-N 3.29Å
954	Q	71.6	Confident	76.2	Confident	94 Å²	94	52.7 Å²	52.7	44%	0.439	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	117	-176.1	-175.2	170.8	1.3	0	0	110.3	F934 M951	F934-Q954 HydrophobicContact CD1-CB 4.42Å; F934-Q954 HydrophobicContact CD1-CG 4.3Å; F934-Q954 HydrophobicContact CE1-CB 4.07Å; F934-Q954 HydrophobicContact CE1-CG 4.44Å; M951-Q954 VanDerWaalsContact O-CB 3.31Å; M951-Q954 WeakPolarHBondContact O-CB 3.29Å; M951-Q954 PolarHBondContact O-N 3.02Å; M951-Q954 VanDerWaalsContact O-N 3.13Å
955	G	73.5	Confident	75.1	Confident	81 Å²	81	60.2 Å²	60.2	84%	0.835	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	103.8	-15.6	-176.3	0	0	0	0	0	114.6	F953	F953-G955 PolarHBondContact O-N 3.29Å
956	S	81.7	Confident	74.6	Confident	26 Å²	26	61.2 Å²	61.2	18%	0.182	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	-7.2	176.3	81.2	0	0	0	0	114.8	R919 T920 F921 F953	R919-S956 VanDerWaalsContact O-CB 3.29Å; R919-S956 WeakPolarHBondContact O-CB 3.3Å; R919-S956 PolarHBondContact O-OG 3.43Å; T920-S956 WeakPolarHBondContact CA-O 3.44Å; F921-S956 PolarHBondContact N-O 3.36Å; F953-S956 PolarHBondContact O-N 3.3Å; F953-S956 VanDerWaalsContact O-N 3.15Å
957	V	85.5	Confident	74.2	Confident	24 Å²	24	61.3 Å²	61.3	15%	0.145	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	127.2	177.8	64.7	0	0	0	0	113.5	F921 V923 F934 F953 F959	F921-V957 HydrophobicContact CD2-CB 4.48Å; F921-V957 HydrophobicContact CD2-CG2 4.08Å; F921-V957 HydrophobicContact CE1-CB 4.14Å; F921-V957 HydrophobicContact CE2-CB 3.82Å; F921-V957 HydrophobicContact CE2-CG2 3.49Å; F921-V957 VanDerWaalsContact CE2-CG2 3.49Å; F921-V957 HydrophobicContact CZ-CB 3.64Å; F921-V957 HydrophobicContact CZ-CG2 3.86Å; F921-V957 WeakPolarHBondContact O-CA 3.45Å; V923-V957 HydrophobicContact CB-CG2 4.15Å; V923-V957 HydrophobicContact CG2-CG2 3.55Å; F934-V957 HydrophobicContact CE2-CG1 3.97Å; F953-V957 HydrophobicContact CB-CG1 4.5Å; F953-V957 WeakPolarHBondContact O-CG1 3.39Å; F953-V957 PolarHBondContact O-N 3.29Å; V957-F959 HydrophobicContact CG1-CE2 3.7Å; V957-F959 HydrophobicContact CG1-CZ 4.05Å; V957-F959 HydrophobicContact CG2-CD2 4.47Å; V957-F959 HydrophobicContact CG2-CE1 4.25Å; V957-F959 HydrophobicContact CG2-CE2 3.99Å; V957-F959 HydrophobicContact CG2-CZ 3.87Å
958	E	86	Confident	73	Confident	98 Å²	98	63.4 Å²	63.4	46%	0.458	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	128.8	166.4	-172.2	-161.4	172.3	0	0	110.2	F921 R922 V923 V960	F921-E958 PolarHBondContact O-N 3.14Å; R922-E958 CarbonylContact C-O 3.28Å; R922-E958 WeakPolarHBondContact CA-O 3.46Å; R922-E958 VanDerWaalsContact CD-OE2 3.31Å; R922-E958 WeakPolarHBondContact CD-OE2 3.33Å; R922-E958 HydrophobicContact CG-CB 3.85Å; R922-E958 HydrophobicContact CG-CG 4.34Å; R922-E958 WeakPolarHBondContact CG-OE2 3.42Å; R922-E958 IonicContact NH1-OE1 2.79Å; R922-E958 IonicContact NH1-OE2 3.54Å; R922-E958 PolarHBondContact NH1-OE2 3.25Å; V923-E958 PolarHBondContact N-O 3.22Å; E958-V960 HydrophobicContact CG-CG2 4.21Å
959	F	85.9	Confident	72.5	Confident	17 Å²	17	59.4 Å²	59.4	8%	0.075	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	115.8	174.1	-69.4	-79.7	0	0	0	112.5	V905 V923 V930 K931 F934 V957	V905-F959 HydrophobicContact CG1-CE1 4.05Å; V923-F959 HydrophobicContact CB-CD1 3.75Å; V923-F959 HydrophobicContact CB-CE1 3.77Å; V923-F959 HydrophobicContact CG1-CD1 3.87Å; V923-F959 HydrophobicContact CG1-CE1 3.82Å; V923-F959 HydrophobicContact CG2-CE1 4.16Å; V930-F959 HydrophobicContact CG1-CD1 4.08Å; V930-F959 HydrophobicContact CG1-CE1 3.83Å; K931-F959 HydrophobicContact CB-CB 4.1Å; K931-F959 HydrophobicContact CG-CB 4.07Å; F934-F959 AromaticContact CD2-CE2 3.87Å; F934-F959 HydrophobicContact CD2-CE2 3.87Å; F934-F959 HydrophobicContact CD2-CZ 4.45Å; F934-F959 AromaticContact CE2-CE2 3.68Å; F934-F959 HydrophobicContact CE2-CE2 3.68Å; F934-F959 AromaticContact CE2-CZ 3.95Å; F934-F959 HydrophobicContact CE2-CZ 3.95Å; V957-F959 HydrophobicContact CG1-CE2 3.7Å; V957-F959 HydrophobicContact CG1-CZ 4.05Å; V957-F959 HydrophobicContact CG2-CD2 4.47Å; V957-F959 HydrophobicContact CG2-CE1 4.25Å; V957-F959 HydrophobicContact CG2-CE2 3.99Å; V957-F959 HydrophobicContact CG2-CZ 3.87Å
960	V	84.1	Confident	72	Confident	31 Å²	31	58.4 Å²	58.4	19%	0.188	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	130.1	-179.7	-176.3	0	0	0	0	109.4	R922 V923 V924 T925 E958	R922-V960 HydrophobicContact CB-CG2 4.43Å; R922-V960 HydrophobicContact CG-CG2 4.06Å; V923-V960 PolarHBondContact O-N 2.89Å; V924-V960 WeakPolarHBondContact CA-O 3.5Å; T925-V960 PolarHBondContact N-O 2.78Å; T925-V960 VanDerWaalsContact N-O 3.09Å; E958-V960 HydrophobicContact CG-CG2 4.21Å
961	H	82.1	Confident	71.3	Confident	105 Å²	105	59.9 Å²	59.9	49%	0.486	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	130.1	170.8	168.9	51.7	0	0	0	109.5	T925 D926	T925-H961 WeakPolarHBondContact O-CA 3.46Å; T925-H961 PolarHBondContact O-ND1 3.42Å; D926-H961 PolarHBondContact O-CE1 2.65Å; D926-H961 PolarHBondContact O-ND1 2.96Å
962	R	77.5	Confident	70.1	Confident	54 Å²	54	56 Å²	56	20%	0.204	31%	0.305	C	S	.	.			trans	-119.3	146	168.5	-168.2	-179.3	-60.4	179.7	5.9	108.1	E857 H859 V924 T925 D926 E966	E857-R962 IonicContact OE2-NH2 3.85Å; E857-R962 PolarHBondContact OE2-NH2 3.26Å; E857-R962 VanDerWaalsContact OE2-NH2 3.08Å; H859-R962 PolarHBondContact CE1-NH2 2.88Å; V924-R962 HydrophobicContact CG1-CB 3.54Å; V924-R962 HydrophobicContact CG1-CG 4.5Å; T925-R962 PolarHBondContact O-N 3.3Å; T925-R962 VanDerWaalsContact O-N 3.1Å; D926-R962 WeakPolarHBondContact CA-O 3.24Å; R962-E966 WeakPolarHBondContact CD-O 3.25Å; R962-E966 HydrophobicContact CG-CB 3.74Å; R962-E966 WeakPolarHBondContact CG-OE2 3.38Å
963	K	70.4	Confident	69.2	Low	123 Å²	123	53.2 Å²	53.2	54%	0.535	29%	0.292	S	S	.	.			trans	-69.3	143.6	179.7	-62.3	178	-163.7	145.9	0	109.7	Q965 E966 H967	K963-Q965 PolarHBondContact O-N 2.97Å; K963-Q965 VanDerWaalsContact O-N 3.09Å; K963-E966 HydrophobicContact CB-CG 4.48Å; K963-E966 WeakPolarHBondContact CD-OE1 3.33Å; K963-E966 IonicContact NZ-OE1 3.26Å; K963-E966 CarbonylContact O-C 3.54Å; K963-E966 WeakPolarHBondContact O-CA 3.36Å; K963-E966 WeakPolarHBondContact O-CB 3.31Å; K963-E966 PolarHBondContact O-N 2.96Å; K963-H967 PolarHBondContact O-N 3.33Å
964	G	57.9	Low	68.1	Low	33 Å²	33	53 Å²	53	34%	0.34	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-53.7	-34	-178.7	0	0	0	0	0	114.8	E966 H967	G964-E966 PolarHBondContact O-N 2.95Å; G964-H967 PolarHBondContact O-N 2.81Å
965	Q	45.4	Very low	67.6	Low	185 Å²	185	55.2 Å²	55.2	86%	0.864	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-62.4	-27.6	174.6	-70	178.5	-26.6	0	0	113.7	K963	K963-Q965 PolarHBondContact O-N 2.97Å; K963-Q965 VanDerWaalsContact O-N 3.09Å
966	E	60.2	Low	66.2	Low	101 Å²	101	51.9 Å²	51.9	47%	0.472	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-96.8	3.6	177.6	-59.4	155.7	-161.8	0	0	111.5	R962 K963 G964	R962-E966 WeakPolarHBondContact CD-O 3.25Å; R962-E966 HydrophobicContact CG-CB 3.74Å; R962-E966 WeakPolarHBondContact CG-OE2 3.38Å; K963-E966 HydrophobicContact CB-CG 4.48Å; K963-E966 WeakPolarHBondContact CD-OE1 3.33Å; K963-E966 IonicContact NZ-OE1 3.26Å; K963-E966 CarbonylContact O-C 3.54Å; K963-E966 WeakPolarHBondContact O-CA 3.36Å; K963-E966 WeakPolarHBondContact O-CB 3.31Å; K963-E966 PolarHBondContact O-N 2.96Å; G964-E966 PolarHBondContact O-N 2.95Å
967	H	68.5	Low	64.8	Low	2 Å²	2	51 Å²	51	1%	0.009	25%	0.253	C	S	.	.			trans	-118.9	27.6	-171.3	-152.2	-126.1	0	0	0	112.5	C860 D861 K963 G964 V969 P970 D971	C860-H967 PolarHBondContact O-CE1 3.49Å; D861-H967 IonicContact OD1-ND1 3.61Å; D861-H967 PolarHBondContact OD1-ND1 2.86Å; K963-H967 PolarHBondContact O-N 3.33Å; G964-H967 PolarHBondContact O-N 2.81Å; H967-V969 VanDerWaalsContact C-N 3.32Å; H967-V969 PolarHBondContact O-N 3.47Å; H967-P970 WeakPolarHBondContact O-CD 3.48Å; H967-D971 VanDerWaalsContact O-CB 3.29Å; H967-D971 WeakPolarHBondContact O-CB 3.45Å; H967-D971 PolarHBondContact O-N 2.84Å; H967-D971 VanDerWaalsContact O-N 3.16Å
968	C	50.3	Low	63	Low	70 Å²	70	51.1 Å²	51.1	47%	0.473	25%	0.254	S	S	.	.	H	α-helix	trans	-57.9	-32.2	-169.4	54.2	0	0	0	0	115.6	A972	C968-A972 WeakPolarHBondContact O-CB 3.29Å; C968-A972 PolarHBondContact O-N 3.38Å; C968-A972 VanDerWaalsContact O-N 3.08Å
969	V	57.4	Low	61.4	Low	28 Å²	28	48.4 Å²	48.4	17%	0.17	25%	0.252	C	S	.	.	H	α-helix	trans	-74.7	-50.3	-174.6	-178.5	0	0	0	0	112.1	E805 M870 Y884 H967 L973	E805-V969 HydrophobicContact CG-CB 4.37Å; E805-V969 HydrophobicContact CG-CG1 3.8Å; E805-V969 HydrophobicContact CG-CG2 3.92Å; M870-V969 HydrophobicContact SD-CB 3.84Å; M870-V969 HydrophobicContact SD-CG1 3.65Å; Y884-V969 HydrophobicContact CD1-CG1 4.13Å; Y884-V969 HydrophobicContact CE1-CG1 3.55Å; H967-V969 VanDerWaalsContact C-N 3.32Å; H967-V969 PolarHBondContact O-N 3.47Å; V969-L973 HydrophobicContact CG1-CD1 4.31Å; V969-L973 VanDerWaalsContact O-CG 3.31Å; V969-L973 WeakPolarHBondContact O-CG 3.5Å; V969-L973 PolarHBondContact O-N 3.38Å; V969-L973 VanDerWaalsContact O-N 3.16Å
970	P	60.6	Low	59.9	Low	2 Å²	2	56 Å²	56	1%	0.013	29%	0.288	C	S	.	.	H	α-helix	trans	-59.6	-44.2	167.1	-28	37.1	0	0	0	113.8	H859 D861 M870 H967 A972 L973 S974	H859-P970 HydrophobicContact CB-CG 3.47Å; H859-P970 VanDerWaalsContact CB-CG 3.47Å; D861-P970 HydrophobicContact CB-CB 3.43Å; D861-P970 VanDerWaalsContact CB-CB 3.43Å; M870-P970 HydrophobicContact CG-CG 4.23Å; M870-P970 HydrophobicContact SD-CG 4.39Å; H967-P970 WeakPolarHBondContact O-CD 3.48Å; P970-A972 VanDerWaalsContact C-N 3.29Å; P970-A972 PolarHBondContact O-N 2.86Å; P970-L973 CarbonylContact O-C 3.58Å; P970-L973 WeakPolarHBondContact O-CA 3.41Å; P970-L973 WeakPolarHBondContact O-CB 3.12Å; P970-L973 PolarHBondContact O-N 3.2Å; P970-S974 WeakPolarHBondContact O-CB 3.49Å; P970-S974 PolarHBondContact O-N 3.45Å
971	D	62.7	Low	58.7	Low	32 Å²	32	57 Å²	57	17%	0.171	30%	0.295	C	S	.	.	H	α-helix	trans	-52.1	-46.1	179.8	175.8	94.2	0	0	0	111.8	D861 H967 S974 R975	D861-D971 WeakPolarHBondContact OD2-CA 3.34Å; H967-D971 VanDerWaalsContact O-CB 3.29Å; H967-D971 WeakPolarHBondContact O-CB 3.45Å; H967-D971 PolarHBondContact O-N 2.84Å; H967-D971 VanDerWaalsContact O-N 3.16Å; D971-S974 PolarHBondContact O-N 2.96Å; D971-S974 PolarHBondContact O-OG 2.88Å; D971-R975 WeakPolarHBondContact O-CB 3.39Å; D971-R975 VanDerWaalsContact O-CG 3.27Å; D971-R975 WeakPolarHBondContact O-CG 3.42Å; D971-R975 PolarHBondContact O-N 2.83Å; D971-R975 IonicContact OD1-CZ 2.71Å; D971-R975 IonicContact OD1-NE 3.82Å; D971-R975 PolarHBondContact OD1-NE 2.76Å; D971-R975 IonicContact OD1-NH2 3.15Å; D971-R975 PolarHBondContact OD1-NH2 3.29Å; D971-R975 VanDerWaalsContact OD2-CD 3.23Å; D971-R975 WeakPolarHBondContact OD2-CD 3.2Å; D971-R975 IonicContact OD2-CZ 2.65Å; D971-R975 IonicContact OD2-NE 2.67Å; D971-R975 PolarHBondContact OD2-NE 2.88Å
972	A	50.8	Low	57.6	Low	4 Å²	4	55.4 Å²	55.4	3%	0.033	29%	0.288	C	S	.	.	H	α-helix	trans	-82.6	-16.9	178.4	0	0	0	0	0	114.7	R806 D809 C968 P970 S974	R806-A972 HydrophobicContact CB-CB 3.66Å; R806-A972 HydrophobicContact CG-CB 3.41Å; R806-A972 VanDerWaalsContact CG-CB 3.41Å; D809-A972 WeakPolarHBondContact OD2-CA 3.47Å; D809-A972 WeakPolarHBondContact OD2-CB 3.38Å; C968-A972 WeakPolarHBondContact O-CB 3.29Å; C968-A972 PolarHBondContact O-N 3.38Å; C968-A972 VanDerWaalsContact O-N 3.08Å; P970-A972 VanDerWaalsContact C-N 3.29Å; P970-A972 PolarHBondContact O-N 2.86Å; A972-S974 VanDerWaalsContact C-N 3.26Å
973	L	57.4	Low	56.6	Low	4 Å²	4	60.5 Å²	60.5	2%	0.021	31%	0.307	C	S	.	.	H	α-helix	trans	-77.8	-14.5	165.2	-72	170.1	0	0	0	112.2	G868 Y884 S886 V969 P970 A976	G868-L973 VanDerWaalsContact CA-C 3.48Å; G868-L973 WeakPolarHBondContact CA-O 3.32Å; Y884-L973 HydrophobicContact CD1-CD1 3.82Å; Y884-L973 HydrophobicContact CG-CD1 4.34Å; S886-L973 VanDerWaalsContact CB-O 3.24Å; S886-L973 WeakPolarHBondContact CB-O 3.45Å; V969-L973 HydrophobicContact CG1-CD1 4.31Å; V969-L973 VanDerWaalsContact O-CG 3.31Å; V969-L973 WeakPolarHBondContact O-CG 3.5Å; V969-L973 PolarHBondContact O-N 3.38Å; V969-L973 VanDerWaalsContact O-N 3.16Å; P970-L973 CarbonylContact O-C 3.58Å; P970-L973 WeakPolarHBondContact O-CA 3.41Å; P970-L973 WeakPolarHBondContact O-CB 3.12Å; P970-L973 PolarHBondContact O-N 3.2Å; L973-A976 CarbonylContact C-O 3.37Å; L973-A976 VanDerWaalsContact C-O 3.3Å
974	S	60.9	Low	55.8	Low	0 Å²	0	56 Å²	56	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-99.9	-41.1	177.9	97	0	0	0	0	112.4	D861 A862 S863 S865 G866 P970 D971 A972 A976	D861-S974 VanDerWaalsContact O-CB 3.26Å; D861-S974 WeakPolarHBondContact O-CB 3.49Å; D861-S974 VanDerWaalsContact OD2-CB 3.3Å; D861-S974 WeakPolarHBondContact OD2-CB 3.49Å; D861-S974 PolarHBondContact OD2-OG 2.73Å; A862-S974 VanDerWaalsContact C-OG 3.24Å; S863-S974 WeakPolarHBondContact CB-O 3.18Å; S863-S974 WeakPolarHBondContact CB-OG 3.45Å; S863-S974 PolarHBondContact N-OG 2.77Å; S863-S974 VanDerWaalsContact OG-C 3.3Å; S863-S974 PolarHBondContact OG-O 3.48Å; S865-S974 PolarHBondContact OG-O 2.99Å; G866-S974 CarbonylContact C-O 3.53Å; G866-S974 VanDerWaalsContact CA-O 3.27Å; G866-S974 WeakPolarHBondContact CA-O 3.34Å; G866-S974 PolarHBondContact N-O 3.15Å; P970-S974 WeakPolarHBondContact O-CB 3.49Å; P970-S974 PolarHBondContact O-N 3.45Å; D971-S974 PolarHBondContact O-N 2.96Å; D971-S974 PolarHBondContact O-OG 2.88Å; A972-S974 VanDerWaalsContact C-N 3.26Å; S974-A976 VanDerWaalsContact C-N 3.25Å; S974-A976 PolarHBondContact O-N 3.03Å
975	R	59.9	Low	55.4	Low	140 Å²	140	57.9 Å²	57.9	53%	0.528	30%	0.3	S	S	.	.	H	α-helix	trans	-62.1	-27.3	-178.3	-79.2	-178.3	-165.7	-58	-22.2	114.5	D809 S863 S865 D971	D809-R975 VanDerWaalsContact OD1-C 3.25Å; S863-R975 WeakPolarHBondContact OG-CA 3.11Å; S865-R975 PolarHBondContact OG-O 3.08Å; D971-R975 WeakPolarHBondContact O-CB 3.39Å; D971-R975 VanDerWaalsContact O-CG 3.27Å; D971-R975 WeakPolarHBondContact O-CG 3.42Å; D971-R975 PolarHBondContact O-N 2.83Å; D971-R975 IonicContact OD1-CZ 2.71Å; D971-R975 IonicContact OD1-NE 3.82Å; D971-R975 PolarHBondContact OD1-NE 2.76Å; D971-R975 IonicContact OD1-NH2 3.15Å; D971-R975 PolarHBondContact OD1-NH2 3.29Å; D971-R975 VanDerWaalsContact OD2-CD 3.23Å; D971-R975 WeakPolarHBondContact OD2-CD 3.2Å; D971-R975 IonicContact OD2-CZ 2.65Å; D971-R975 IonicContact OD2-NE 2.67Å; D971-R975 PolarHBondContact OD2-NE 2.88Å
976	A	44.6	Very low	55.7	Low	10 Å²	10	52.4 Å²	52.4	8%	0.083	28%	0.277	C	S	.	.	S	Bend	trans	-140.6	153.2	144.6	0	0	0	0	0	109.5	A808 D809 A812 S865 L973 S974	A808-A976 HydrophobicContact CB-CB 4.27Å; A808-A976 WeakPolarHBondContact CB-O 3.27Å; A808-A976 WeakPolarHBondContact O-CB 3.39Å; D809-A976 WeakPolarHBondContact OD1-CB 3.41Å; D809-A976 PolarHBondContact OD1-N 2.94Å; A812-A976 HydrophobicContact CB-CB 3.82Å; S865-A976 WeakPolarHBondContact OG-CA 3.35Å; L973-A976 CarbonylContact C-O 3.37Å; L973-A976 VanDerWaalsContact C-O 3.3Å; S974-A976 VanDerWaalsContact C-N 3.25Å; S974-A976 PolarHBondContact O-N 3.03Å
977	P	52.6	Low	55.4	Low	8 Å²	8	48.6 Å²	48.6	5%	0.052	26%	0.26	C	S	.	.			trans	-126.4	167.5	174.9	44.7	-39	0	0	0	113.8	G866 R887 K888	G866-P977 VanDerWaalsContact CA-CG 3.44Å; R887-P977 VanDerWaalsContact C-CG 3.43Å; R887-P977 WeakPolarHBondContact O-CB 3.36Å; R887-P977 WeakPolarHBondContact O-CG 3.41Å; K888-P977 VanDerWaalsContact CA-CG 3.48Å; K888-P977 HydrophobicContact CB-CG 4.19Å; K888-P977 WeakPolarHBondContact CE-O 3.35Å; K888-P977 HydrophobicContact CG-CG 3.54Å
978	V	47.4	Very low	54.7	Low	26 Å²	26	49.3 Å²	49.3	16%	0.158	26%	0.264	C	S	.	.			trans	-100	167.6	175.2	-146.5	0	0	0	0	111.9	Y807 A808 S886 R887	Y807-V978 HydrophobicContact CD1-CG1 4.3Å; Y807-V978 HydrophobicContact CD1-CG2 3.33Å; Y807-V978 HydrophobicContact CE1-CG1 3.92Å; Y807-V978 HydrophobicContact CE1-CG2 3.82Å; Y807-V978 HydrophobicContact CG-CG2 4.35Å; A808-V978 HydrophobicContact CB-CG2 3.72Å; S886-V978 PolarHBondContact OG-N 3.13Å; S886-V978 VanDerWaalsContact OG-N 3.17Å; R887-V978 VanDerWaalsContact CA-O 3.3Å; R887-V978 WeakPolarHBondContact CA-O 3.32Å
979	G	53.3	Low	54.2	Low	41 Å²	41	46.6 Å²	46.6	42%	0.423	25%	0.248	S	C	.	.	S	Bend	trans	86.8	173.5	175.2	0	0	0	0	0	114.2	K888	K888-G979 VanDerWaalsContact CD-O 3.32Å; K888-G979 WeakPolarHBondContact CD-O 3.35Å; K888-G979 WeakPolarHBondContact CG-O 3.44Å
980	E	54.3	Low	53.2	Low	176 Å²	176	53 Å²	53	82%	0.822	28%	0.276	S	S	*	.			trans	-84.8	152.8	171.2	-63.6	-152	155.9	0	0	110.6	E982	E980-E982 PolarHBondContact O-N 3.18Å; E980-E982 VanDerWaalsContact O-N 3.15Å
981	P	59	Low	52.3	Low	52 Å²	52	60 Å²	60	34%	0.338	30%	0.302	S	S	.	.			trans	-74.1	105.3	179.1	29.5	-34.4	0	0	0	111.6	K888 R983	K888-P981 HydrophobicContact CB-CB 4.15Å; K888-P981 WeakPolarHBondContact O-CA 3.46Å; K888-P981 WeakPolarHBondContact O-CB 3.31Å; P981-R983 PolarHBondContact O-N 3.28Å
982	E	58.8	Low	51.1	Low	73 Å²	73	63 Å²	63	34%	0.341	32%	0.316	S	S	.	.			trans	-53.2	133.5	158.6	-57.9	-166.7	127.9	0	0	108.9	R887 R910 E980 M987	R887-E982 PolarHBondContact NH1-O 3.25Å; R887-E982 VanDerWaalsContact NH1-O 3.15Å; R910-E982 IonicContact CZ-OE2 2.64Å; R910-E982 IonicContact NH2-OE1 2.67Å; R910-E982 PolarHBondContact NH2-OE1 2.97Å; R910-E982 IonicContact NH2-OE2 2.73Å; R910-E982 PolarHBondContact NH2-OE2 2.83Å; E980-E982 PolarHBondContact O-N 3.18Å; E980-E982 VanDerWaalsContact O-N 3.15Å; E982-M987 HydrophobicContact CB-CG 4.26Å
983	R	55.9	Low	50.2	Low	160 Å²	160	66.6 Å²	66.6	60%	0.604	35%	0.346	S	S	*	.			trans	-78.5	152.4	-179.2	-53.8	166.7	-175.6	154.1	0.5	110	P981 A985 D986 M987	P981-R983 PolarHBondContact O-N 3.28Å; R983-A985 HydrophobicContact CB-CB 4.28Å; R983-A985 PolarHBondContact O-N 3.36Å; R983-D986 HydrophobicContact CB-CB 4.3Å; R983-D986 WeakPolarHBondContact CB-OD2 3.35Å; R983-D986 VanDerWaalsContact CD-OD2 3.28Å; R983-D986 WeakPolarHBondContact CD-OD2 3.39Å; R983-D986 WeakPolarHBondContact CG-OD2 3.49Å; R983-D986 PolarHBondContact N-OD2 3.19Å; R983-D986 VanDerWaalsContact N-OD2 3.1Å; R983-D986 IonicContact NE-OD2 3.09Å; R983-D986 IonicContact NH1-OD1 2.67Å; R983-D986 WeakPolarHBondContact O-CA 3.37Å; R983-D986 PolarHBondContact O-N 3.13Å; R983-M987 PolarHBondContact O-N 2.9Å
984	E	55	Low	49	Very low	30 Å²	30	72 Å²	72	14%	0.14	38%	0.382	C	S	.	.	H	α-helix	trans	-54.1	-34.9	164.5	-156.9	-164	127.5	0	0	111.4	H896 K942 R945 D986 M987 V988	H896-E984 IonicContact CE1-OE2 3.72Å; H896-E984 PolarHBondContact CE1-OE2 2.93Å; K942-E984 WeakPolarHBondContact CE-OE2 3.21Å; R945-E984 IonicContact CZ-OE1 3.27Å; R945-E984 IonicContact NE-OE1 3.58Å; R945-E984 PolarHBondContact NE-OE1 3.22Å; R945-E984 IonicContact NH2-OE1 2.68Å; R945-E984 PolarHBondContact NH2-OE1 3Å; E984-D986 VanDerWaalsContact C-N 3.29Å; E984-D986 PolarHBondContact O-N 3.1Å; E984-M987 VanDerWaalsContact CA-CE 3.49Å; E984-M987 HydrophobicContact CB-CE 4.25Å; E984-M987 HydrophobicContact CG-CE 4.35Å; E984-V988 PolarHBondContact O-N 2.75Å
985	A	48.6	Very low	47.7	Very low	72 Å²	72	78.9 Å²	78.9	60%	0.595	42%	0.417	S	S	*	.	H	α-helix	trans	-71.4	-14	174	0	0	0	0	0	114.9	R983 G989	R983-A985 HydrophobicContact CB-CB 4.28Å; R983-A985 PolarHBondContact O-N 3.36Å; A985-G989 WeakPolarHBondContact O-CA 3.27Å; A985-G989 PolarHBondContact O-N 3.5Å
986	D	51.7	Low	46.3	Very low	70 Å²	70	76.3 Å²	76.3	37%	0.374	43%	0.425	S	S	.	.	H	α-helix	trans	-98.4	-39.9	175.3	-49.9	-31.2	0	0	0	109.6	R983 E984 V988 G989	R983-D986 HydrophobicContact CB-CB 4.3Å; R983-D986 WeakPolarHBondContact CB-OD2 3.35Å; R983-D986 VanDerWaalsContact CD-OD2 3.28Å; R983-D986 WeakPolarHBondContact CD-OD2 3.39Å; R983-D986 WeakPolarHBondContact CG-OD2 3.49Å; R983-D986 PolarHBondContact N-OD2 3.19Å; R983-D986 VanDerWaalsContact N-OD2 3.1Å; R983-D986 IonicContact NE-OD2 3.09Å; R983-D986 IonicContact NH1-OD1 2.67Å; R983-D986 WeakPolarHBondContact O-CA 3.37Å; R983-D986 PolarHBondContact O-N 3.13Å; E984-D986 VanDerWaalsContact C-N 3.29Å; E984-D986 PolarHBondContact O-N 3.1Å; D986-V988 VanDerWaalsContact C-N 3.34Å; D986-V988 PolarHBondContact O-N 3.34Å; D986-G989 PolarHBondContact O-N 2.85Å
987	M	54.6	Low	45.7	Very low	21 Å²	21	83.1 Å²	83.1	10%	0.103	47%	0.465	C	S	.	.	H	α-helix	trans	-62.4	-35.5	176.3	-68.8	-177.3	-63.2	0	0	113.9	R887 E893 L903 W907 E982 R983 E984	R887-M987 PolarHBondContact NH2-SD 2.85Å; R887-M987 VanDerWaalsContact NH2-SD 3.4Å; E893-M987 WeakPolarHBondContact OE1-CE 3.32Å; L903-M987 HydrophobicContact CD1-CE 3.89Å; W907-M987 HydrophobicContact CB-SD 4.13Å; W907-M987 HydrophobicContact CG-SD 4.48Å; E982-M987 HydrophobicContact CB-CG 4.26Å; R983-M987 PolarHBondContact O-N 2.9Å; E984-M987 VanDerWaalsContact CA-CE 3.49Å; E984-M987 HydrophobicContact CB-CE 4.25Å; E984-M987 HydrophobicContact CG-CE 4.35Å
988	V	53.5	Low	44.8	Very low	17 Å²	17	89.2 Å²	89.2	10%	0.103	50%	0.497	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-14.7	172.6	-159.7	0	0	0	0	111.4	R945 E984 D986 E990 R991 M992	R945-V988 HydrophobicContact CB-CG1 4.17Å; R945-V988 HydrophobicContact CB-CG2 4.5Å; R945-V988 HydrophobicContact CG-CG1 4.38Å; E984-V988 PolarHBondContact O-N 2.75Å; D986-V988 VanDerWaalsContact C-N 3.34Å; D986-V988 PolarHBondContact O-N 3.34Å; V988-E990 PolarHBondContact O-N 3.09Å; V988-R991 CarbonylContact O-C 3.52Å; V988-R991 PolarHBondContact O-N 2.95Å; V988-R991 VanDerWaalsContact O-N 3.15Å; V988-M992 HydrophobicContact CB-SD 4.44Å; V988-M992 HydrophobicContact CG1-CG 4.02Å; V988-M992 HydrophobicContact CG1-SD 3.72Å; V988-M992 PolarHBondContact O-N 3.14Å; V988-M992 VanDerWaalsContact O-N 3.09Å
989	G	39.3	Very low	44.6	Very low	13 Å²	13	92.7 Å²	92.7	13%	0.134	52%	0.523	C	S	.	.	H	α-helix	trans	-64.1	-39.4	-172.6	0	0	0	0	0	115.3	A985 D986 R991 M992 A993	A985-G989 WeakPolarHBondContact O-CA 3.27Å; A985-G989 PolarHBondContact O-N 3.5Å; D986-G989 PolarHBondContact O-N 2.85Å; G989-R991 PolarHBondContact O-N 2.88Å; G989-M992 CarbonylContact O-C 3.55Å; G989-M992 PolarHBondContact O-N 2.91Å; G989-A993 WeakPolarHBondContact O-CA 3.4Å; G989-A993 WeakPolarHBondContact O-CB 3.23Å; G989-A993 PolarHBondContact O-N 3.34Å
990	E	35.9	Very low	44.5	Very low	161 Å²	161	95.9 Å²	95.9	75%	0.752	53%	0.53	S	S	*	.	H	α-helix	trans	-65.9	-22	177.8	-67.4	-177.4	134.4	0	0	112.2	V988	V988-E990 PolarHBondContact O-N 3.09Å
991	R	42	Very low	44.9	Very low	151 Å²	151	91.4 Å²	91.4	57%	0.57	51%	0.514	S	S	*	.	H	α-helix	trans	-93.5	-8.2	170.8	-67	-176.2	177.2	167.9	2.1	114.1	E952 V988 G989	E952-R991 IonicContact OE1-CZ 3.73Å; E952-R991 VanDerWaalsContact OE1-CZ 3.25Å; E952-R991 IonicContact OE1-NH1 2.72Å; E952-R991 PolarHBondContact OE1-NH1 2.71Å; E952-R991 IonicContact OE1-NH2 3.52Å; E952-R991 PolarHBondContact OE1-NH2 3.1Å; E952-R991 IonicContact OE2-NH2 3.41Å; V988-R991 CarbonylContact O-C 3.52Å; V988-R991 PolarHBondContact O-N 2.95Å; V988-R991 VanDerWaalsContact O-N 3.15Å; G989-R991 PolarHBondContact O-N 2.88Å
992	M	38.1	Very low	45.1	Very low	93 Å²	93	93.4 Å²	93.4	46%	0.458	52%	0.519	S	S	.	.	H	α-helix	trans	-120.6	-19.7	-178.6	-75.1	-172.8	70.9	0	0	115.5	R945 V988 G989 C994 M995	R945-M992 VanDerWaalsContact CD-SD 3.57Å; R945-M992 HydrophobicContact CG-SD 4.18Å; V988-M992 HydrophobicContact CB-SD 4.44Å; V988-M992 HydrophobicContact CG1-CG 4.02Å; V988-M992 HydrophobicContact CG1-SD 3.72Å; V988-M992 PolarHBondContact O-N 3.14Å; V988-M992 VanDerWaalsContact O-N 3.09Å; G989-M992 CarbonylContact O-C 3.55Å; G989-M992 PolarHBondContact O-N 2.91Å; M992-C994 PolarHBondContact O-N 3.18Å; M992-M995 VanDerWaalsContact O-CB 3.26Å; M992-M995 WeakPolarHBondContact O-CB 3.3Å; M992-M995 WeakPolarHBondContact O-CG 3.33Å; M992-M995 PolarHBondContact O-N 2.94Å; M992-M995 VanDerWaalsContact O-N 3.11Å
993	A	30.7	Very low	45.5	Very low	81 Å²	81	93.6 Å²	93.6	67%	0.669	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-16.3	-179	0	0	0	0	0	112.2	G989 M995	G989-A993 WeakPolarHBondContact O-CA 3.4Å; G989-A993 WeakPolarHBondContact O-CB 3.23Å; G989-A993 PolarHBondContact O-N 3.34Å; A993-M995 PolarHBondContact O-N 3.26Å
994	C	33.2	Very low	46	Very low	116 Å²	116	89.4 Å²	89.4	78%	0.784	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	4	163	-56.7	0	0	0	0	113.8	M992	M992-C994 PolarHBondContact O-N 3.18Å
995	M	33.2	Very low	46.9	Very low	146 Å²	146	89.1 Å²	89.1	72%	0.719	51%	0.506	S	S	*	.	S	Bend	trans	-127.8	-19.3	-167.7	-48.1	-177.2	79.8	0	0	118.5	M992 A993	M992-M995 VanDerWaalsContact O-CB 3.26Å; M992-M995 WeakPolarHBondContact O-CB 3.3Å; M992-M995 WeakPolarHBondContact O-CG 3.33Å; M992-M995 PolarHBondContact O-N 2.94Å; M992-M995 VanDerWaalsContact O-N 3.11Å; A993-M995 PolarHBondContact O-N 3.26Å
996	A	30.7	Very low	48.4	Very low	86 Å²	86	86.4 Å²	86.4	71%	0.711	48%	0.484	S	S	*	.			trans	-166.7	134	-177.8	0	0	0	0	0	120.2
997	V	31.9	Very low	49.6	Very low	152 Å²	152	88.2 Å²	88.2	92%	0.921	49%	0.49	S	S	*	.			trans	-170.3	166.8	162.8	-99.4	0	0	0	0	109
998	D	34.4	Very low	50.4	Low	136 Å²	136	87.2 Å²	87.2	73%	0.727	49%	0.485	S	S	*	.			cis	-163.7	176.5	-19	174.3	46.1	0	0	0	108
999	S	42	Very low	51.8	Low	100 Å²	100	86.4 Å²	86.4	70%	0.699	48%	0.48	S	S	*	.			trans	159.1	132.1	140.7	49.3	0	0	0	0	117.8
1000	I	51.2	Low	53.9	Low	108 Å²	108	92.3 Å²	92.3	55%	0.554	50%	0.502	S	S	*	.			trans	-153.3	151.1	156	-65.1	-170.4	0	0	0	109.4
1001	T	63.1	Low	55.6	Low	82 Å²	82	87.1 Å²	87.1	50%	0.503	49%	0.486	S	S	.	.			trans	-115.2	169	177.8	79	0	0	0	0	116.1
1002	E	63.6	Low	57.2	Low	94 Å²	94	80.3 Å²	80.3	44%	0.439	46%	0.462	S	S	.	.	H	α-helix	trans	-72.6	-39	-178.5	-66.8	-170.4	155	0	0	114.2	E1004 M1005 A1006	E1002-E1004 VanDerWaalsContact C-N 3.28Å; E1002-E1004 PolarHBondContact O-N 2.87Å; E1002-M1005 WeakPolarHBondContact O-CA 3.37Å; E1002-M1005 WeakPolarHBondContact O-CB 3.48Å; E1002-M1005 PolarHBondContact O-N 3.19Å; E1002-A1006 PolarHBondContact O-N 3.18Å
1003	E	67.9	Low	59.1	Low	77 Å²	77	80.2 Å²	80.2	36%	0.36	47%	0.468	S	S	.	.	H	α-helix	trans	-63.3	-35.1	176.2	-67.6	82.4	-168.8	0	0	112.3	R276 M1005 A1006 Q1007	R276-E1003 WeakPolarHBondContact CD-OE1 3.21Å; R276-E1003 IonicContact NH1-OE1 3.2Å; E1003-M1005 PolarHBondContact O-N 3Å; E1003-A1006 PolarHBondContact O-N 3.4Å; E1003-Q1007 WeakPolarHBondContact O-CB 3.38Å; E1003-Q1007 WeakPolarHBondContact O-CG 3.46Å; E1003-Q1007 PolarHBondContact O-N 3.29Å
1004	E	65.1	Low	61.3	Low	71 Å²	71	80.6 Å²	80.6	33%	0.332	46%	0.457	S	S	.	.	H	α-helix	trans	-60.1	-32	173.3	-74.1	-153.4	114.4	0	0	111.8	E1002 A1008	E1002-E1004 VanDerWaalsContact C-N 3.28Å; E1002-E1004 PolarHBondContact O-N 2.87Å; E1004-A1008 VanDerWaalsContact O-CB 3.28Å; E1004-A1008 WeakPolarHBondContact O-CB 3.42Å; E1004-A1008 PolarHBondContact O-N 3.32Å
1005	M	75.5	Confident	63.6	Low	24 Å²	24	75.2 Å²	75.2	12%	0.118	42%	0.421	C	S	.	.	H	α-helix	trans	-78.3	-43.1	177.7	-168.6	63.2	66.3	0	0	112.3	E1002 E1003 Q1007 A1008 Q1009 L1060 P1063 L1066	E1002-M1005 WeakPolarHBondContact O-CA 3.37Å; E1002-M1005 WeakPolarHBondContact O-CB 3.48Å; E1002-M1005 PolarHBondContact O-N 3.19Å; E1003-M1005 PolarHBondContact O-N 3Å; M1005-Q1007 VanDerWaalsContact C-N 3.28Å; M1005-Q1007 PolarHBondContact O-N 2.84Å; M1005-A1008 CarbonylContact O-C 3.56Å; M1005-A1008 WeakPolarHBondContact O-CA 3.37Å; M1005-A1008 WeakPolarHBondContact O-CB 3.17Å; M1005-A1008 PolarHBondContact O-N 3.46Å; M1005-A1008 HydrophobicContact SD-CB 4.35Å; M1005-Q1009 HydrophobicContact CG-CG 4.47Å; M1005-Q1009 WeakPolarHBondContact O-CG 3.5Å; M1005-Q1009 PolarHBondContact O-N 3.23Å; M1005-L1060 HydrophobicContact CE-CD2 4.01Å; M1005-L1060 HydrophobicContact CG-CD1 3.92Å; M1005-L1060 HydrophobicContact CG-CD2 4.01Å; M1005-L1060 HydrophobicContact CG-CG 4.12Å; M1005-L1060 HydrophobicContact SD-CD2 4.49Å; M1005-P1063 HydrophobicContact SD-CG 4.44Å; M1005-L1066 HydrophobicContact CE-CD1 3.7Å; M1005-L1066 HydrophobicContact SD-CD1 3.69Å
1006	A	80	Confident	65.9	Low	15 Å²	15	70 Å²	70	12%	0.124	40%	0.399	C	S	.	.	H	α-helix	trans	-57.7	-43.1	174.5	0	0	0	0	0	111.5	E1002 E1003 A1008 Q1009 K1010 V1046	E1002-A1006 PolarHBondContact O-N 3.18Å; E1003-A1006 PolarHBondContact O-N 3.4Å; A1006-A1008 VanDerWaalsContact C-N 3.27Å; A1006-A1008 PolarHBondContact O-N 3.08Å; A1006-Q1009 PolarHBondContact O-N 3.1Å; A1006-K1010 PolarHBondContact O-N 3.16Å; A1006-V1046 HydrophobicContact CB-CG2 3.69Å
1007	Q	76.2	Confident	68.2	Low	109 Å²	109	69.6 Å²	69.6	51%	0.509	39%	0.385	S	S	.	.	H	α-helix	trans	-70.4	-21.2	172.5	-68.2	-176.6	4.7	0	0	113.2	E1003 M1005 A1011	E1003-Q1007 WeakPolarHBondContact O-CB 3.38Å; E1003-Q1007 WeakPolarHBondContact O-CG 3.46Å; E1003-Q1007 PolarHBondContact O-N 3.29Å; M1005-Q1007 VanDerWaalsContact C-N 3.28Å; M1005-Q1007 PolarHBondContact O-N 2.84Å; Q1007-A1011 WeakPolarHBondContact O-CB 3.23Å
1008	A	71.3	Confident	70.5	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-76.5	-40.3	173.8	0	0	0	0	0	112.7	E1004 M1005 A1006 A1011 D1012 P1063 L1066	E1004-A1008 VanDerWaalsContact O-CB 3.28Å; E1004-A1008 WeakPolarHBondContact O-CB 3.42Å; E1004-A1008 PolarHBondContact O-N 3.32Å; M1005-A1008 CarbonylContact O-C 3.56Å; M1005-A1008 WeakPolarHBondContact O-CA 3.37Å; M1005-A1008 WeakPolarHBondContact O-CB 3.17Å; M1005-A1008 PolarHBondContact O-N 3.46Å; M1005-A1008 HydrophobicContact SD-CB 4.35Å; A1006-A1008 VanDerWaalsContact C-N 3.27Å; A1006-A1008 PolarHBondContact O-N 3.08Å; A1008-A1011 CarbonylContact O-C 3.57Å; A1008-A1011 PolarHBondContact O-N 3.44Å; A1008-D1012 PolarHBondContact O-N 3.34Å; A1008-P1063 HydrophobicContact CB-CB 4.24Å; A1008-P1063 HydrophobicContact CB-CG 3.65Å; A1008-P1063 WeakPolarHBondContact O-CG 3.28Å; A1008-L1066 HydrophobicContact CB-CD1 3.68Å; A1008-L1066 HydrophobicContact CB-CG 4.2Å
1009	Q	83.4	Confident	72.8	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-70.3	-42.8	-179.4	-70.1	175.6	-29	0	0	112.5	M1005 A1006 A1011 D1012 I1015 M1019 L1047 A1061 P1063	M1005-Q1009 HydrophobicContact CG-CG 4.47Å; M1005-Q1009 WeakPolarHBondContact O-CG 3.5Å; M1005-Q1009 PolarHBondContact O-N 3.23Å; A1006-Q1009 PolarHBondContact O-N 3.1Å; Q1009-A1011 PolarHBondContact O-N 3.11Å; Q1009-A1011 VanDerWaalsContact O-N 3.16Å; Q1009-D1012 PolarHBondContact O-N 3.32Å; Q1009-I1015 HydrophobicContact CB-CG2 3.61Å; Q1009-I1015 HydrophobicContact CG-CG2 3.92Å; Q1009-M1019 HydrophobicContact CB-SD 3.83Å; Q1009-L1047 PolarHBondContact NE2-O 3.48Å; Q1009-A1061 PolarHBondContact NE2-O 3.28Å; Q1009-P1063 HydrophobicContact CB-CG 4.35Å; Q1009-P1063 HydrophobicContact CG-CG 3.74Å
1010	K	82.8	Confident	74.6	Confident	137 Å²	137	57.4 Å²	57.4	60%	0.596	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-17.2	171.8	-69	-178.6	179.4	-178.2	0	114.4	A1006 M1019	A1006-K1010 PolarHBondContact O-N 3.16Å; K1010-M1019 HydrophobicContact CG-CE 3.89Å; K1010-M1019 HydrophobicContact CG-SD 4.37Å
1011	A	72.3	Confident	75.9	Confident	51 Å²	51	54.4 Å²	54.4	42%	0.421	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	12.9	-178.3	0	0	0	0	0	113.1	Q1007 A1008 Q1009 L1321	Q1007-A1011 WeakPolarHBondContact O-CB 3.23Å; A1008-A1011 CarbonylContact O-C 3.57Å; A1008-A1011 PolarHBondContact O-N 3.44Å; Q1009-A1011 PolarHBondContact O-N 3.11Å; Q1009-A1011 VanDerWaalsContact O-N 3.16Å; A1011-L1321 HydrophobicContact CB-CD2 3.78Å
1012	D	75.2	Confident	76.6	Confident	9 Å²	9	51.9 Å²	51.9	5%	0.048	28%	0.275	C	S	.	.	S	Bend	trans	-113.1	124.6	173.4	176.7	-62.4	0	0	0	107.6	A1008 Q1009 I1014 I1015 S1016 P1063 E1064	A1008-D1012 PolarHBondContact O-N 3.34Å; Q1009-D1012 PolarHBondContact O-N 3.32Å; D1012-I1014 PolarHBondContact O-N 3.36Å; D1012-I1014 PolarHBondContact OD1-N 3.5Å; D1012-I1015 HydrophobicContact CB-CB 4.08Å; D1012-I1015 HydrophobicContact CB-CD1 4.48Å; D1012-I1015 HydrophobicContact CB-CG1 4.44Å; D1012-I1015 PolarHBondContact OD1-N 3.49Å; D1012-S1016 WeakPolarHBondContact O-CB 3.23Å; D1012-S1016 PolarHBondContact O-N 3.1Å; D1012-P1063 HydrophobicContact CB-CB 3.97Å; D1012-P1063 HydrophobicContact CB-CG 4.42Å; D1012-P1063 VanDerWaalsContact OD2-CA 3.24Å; D1012-P1063 WeakPolarHBondContact OD2-CA 3.34Å; D1012-E1064 WeakPolarHBondContact OD2-CB 3.43Å; D1012-E1064 PolarHBondContact OD2-N 3.09Å
1013	P	76.5	Confident	77.1	Confident	90 Å²	90	54.2 Å²	54.2	58%	0.584	28%	0.283	S	S	*	.	H	α-helix	trans	-58.8	-47.2	-174.8	-25.7	34.9	0	0	0	113.1	S1016 D1017	P1013-S1016 PolarHBondContact O-N 3.38Å; P1013-D1017 WeakPolarHBondContact O-CB 3.45Å; P1013-D1017 PolarHBondContact O-N 3.09Å
1014	I	77.6	Confident	77.1	Confident	89 Å²	89	57.5 Å²	57.5	46%	0.456	30%	0.299	S	S	.	.	H	α-helix	trans	-67.9	-43.3	-174.1	-59.1	172.1	0	0	0	110.3	D1012 L1018 I1388	D1012-I1014 PolarHBondContact O-N 3.36Å; D1012-I1014 PolarHBondContact OD1-N 3.5Å; I1014-L1018 HydrophobicContact CG2-CD1 4.42Å; I1014-L1018 WeakPolarHBondContact O-CG 3.28Å; I1014-L1018 PolarHBondContact O-N 3.43Å; I1014-L1018 VanDerWaalsContact O-N 3.11Å; I1014-I1388 HydrophobicContact CG2-CD1 4.47Å
1015	I	81.9	Confident	76.8	Confident	4 Å²	4	57.2 Å²	57.2	2%	0.021	31%	0.305	C	S	.	.	H	α-helix	trans	-72.9	-35.9	177.9	-63.1	179.1	0	0	0	111	Q1009 D1012 L1018 M1019 L1047 A1061 P1063	Q1009-I1015 HydrophobicContact CB-CG2 3.61Å; Q1009-I1015 HydrophobicContact CG-CG2 3.92Å; D1012-I1015 HydrophobicContact CB-CB 4.08Å; D1012-I1015 HydrophobicContact CB-CD1 4.48Å; D1012-I1015 HydrophobicContact CB-CG1 4.44Å; D1012-I1015 PolarHBondContact OD1-N 3.49Å; I1015-L1018 PolarHBondContact O-N 2.98Å; I1015-M1019 HydrophobicContact CG2-CG 4.28Å; I1015-M1019 HydrophobicContact CG2-SD 3.93Å; I1015-M1019 WeakPolarHBondContact O-CB 3.27Å; I1015-M1019 WeakPolarHBondContact O-CG 3.34Å; I1015-M1019 PolarHBondContact O-N 2.84Å; I1015-L1047 HydrophobicContact CG2-CB 4.17Å; I1015-L1047 HydrophobicContact CG2-CD2 3.83Å; I1015-A1061 HydrophobicContact CD1-CB 4.36Å; I1015-P1063 HydrophobicContact CD1-CB 4.45Å; I1015-P1063 HydrophobicContact CD1-CG 4.03Å
1016	S	81	Confident	75.6	Confident	35 Å²	35	59 Å²	59	25%	0.245	33%	0.329	C	S	.	.	H	α-helix	trans	-64.4	-42.2	176.3	-168.9	0	0	0	0	111.7	D1012 P1013 M1019 K1020	D1012-S1016 WeakPolarHBondContact O-CB 3.23Å; D1012-S1016 PolarHBondContact O-N 3.1Å; P1013-S1016 PolarHBondContact O-N 3.38Å; S1016-M1019 CarbonylContact O-C 3.38Å; S1016-M1019 WeakPolarHBondContact O-CB 3.33Å; S1016-M1019 PolarHBondContact O-N 2.73Å; S1016-M1019 VanDerWaalsContact O-N 3.17Å; S1016-K1020 PolarHBondContact O-N 3.23Å
1017	D	80.2	Confident	73.7	Confident	78 Å²	78	62.6 Å²	62.6	42%	0.417	37%	0.368	S	S	.	.	H	α-helix	trans	-67.9	-40.3	175.9	-68.1	-29.8	0	0	0	111.6	P1013 M1019 K1020 S1021	P1013-D1017 WeakPolarHBondContact O-CB 3.45Å; P1013-D1017 PolarHBondContact O-N 3.09Å; D1017-M1019 VanDerWaalsContact C-N 3.29Å; D1017-M1019 PolarHBondContact O-N 3.36Å; D1017-K1020 WeakPolarHBondContact O-CA 3.4Å; D1017-K1020 VanDerWaalsContact O-CB 3.32Å; D1017-K1020 WeakPolarHBondContact O-CB 3.42Å; D1017-K1020 PolarHBondContact O-N 2.86Å; D1017-K1020 WeakPolarHBondContact OD1-CE 3.46Å; D1017-K1020 IonicContact OD1-NZ 2.88Å; D1017-K1020 PolarHBondContact OD1-NZ 3.3Å; D1017-S1021 PolarHBondContact O-N 2.89Å; D1017-S1021 PolarHBondContact O-OG 3.27Å
1018	L	80	Confident	71.6	Confident	19 Å²	19	60.6 Å²	60.6	10%	0.099	38%	0.376	C	S	.	.	H	α-helix	trans	-61.7	-34.3	169	-76.9	166.3	0	0	0	113	I1014 I1015 K1020 S1021 V1022 F1040 L1047 I1388	I1014-L1018 HydrophobicContact CG2-CD1 4.42Å; I1014-L1018 WeakPolarHBondContact O-CG 3.28Å; I1014-L1018 PolarHBondContact O-N 3.43Å; I1014-L1018 VanDerWaalsContact O-N 3.11Å; I1015-L1018 PolarHBondContact O-N 2.98Å; L1018-K1020 VanDerWaalsContact C-N 3.28Å; L1018-K1020 PolarHBondContact O-N 3.33Å; L1018-S1021 PolarHBondContact O-N 2.99Å; L1018-V1022 WeakPolarHBondContact O-CB 3.19Å; L1018-V1022 VanDerWaalsContact O-CG2 3.24Å; L1018-V1022 WeakPolarHBondContact O-CG2 3.36Å; L1018-V1022 PolarHBondContact O-N 2.99Å; L1018-F1040 HydrophobicContact CD1-CE2 4.47Å; L1018-F1040 HydrophobicContact CD1-CZ 4.18Å; L1018-F1040 HydrophobicContact CD2-CD2 4.49Å; L1018-F1040 HydrophobicContact CD2-CE2 4.29Å; L1018-L1047 HydrophobicContact CB-CD2 3.99Å; L1018-I1388 HydrophobicContact CD1-CD1 3.29Å
1019	M	82.6	Confident	69.9	Low	13 Å²	13	68.4 Å²	68.4	6%	0.064	42%	0.416	C	S	.	.	H	α-helix	trans	-70.8	-20.5	173.5	-72.3	169.7	84.4	0	0	113	Q1009 K1010 I1015 S1016 D1017 K1023 L1042 G1045 L1047	Q1009-M1019 HydrophobicContact CB-SD 3.83Å; K1010-M1019 HydrophobicContact CG-CE 3.89Å; K1010-M1019 HydrophobicContact CG-SD 4.37Å; I1015-M1019 HydrophobicContact CG2-CG 4.28Å; I1015-M1019 HydrophobicContact CG2-SD 3.93Å; I1015-M1019 WeakPolarHBondContact O-CB 3.27Å; I1015-M1019 WeakPolarHBondContact O-CG 3.34Å; I1015-M1019 PolarHBondContact O-N 2.84Å; S1016-M1019 CarbonylContact O-C 3.38Å; S1016-M1019 WeakPolarHBondContact O-CB 3.33Å; S1016-M1019 PolarHBondContact O-N 2.73Å; S1016-M1019 VanDerWaalsContact O-N 3.17Å; D1017-M1019 VanDerWaalsContact C-N 3.29Å; D1017-M1019 PolarHBondContact O-N 3.36Å; M1019-K1023 WeakPolarHBondContact O-CD 3.44Å; M1019-K1023 VanDerWaalsContact O-CG 3.29Å; M1019-K1023 WeakPolarHBondContact O-CG 3.26Å; M1019-L1042 HydrophobicContact CB-CD1 4.46Å; M1019-L1042 HydrophobicContact CE-CD1 3.69Å; M1019-L1042 HydrophobicContact CG-CD1 3.96Å; M1019-G1045 WeakPolarHBondContact CE-O 3.38Å; M1019-L1047 HydrophobicContact CG-CB 3.88Å; M1019-L1047 HydrophobicContact CG-CD1 4.05Å; M1019-L1047 HydrophobicContact CG-CD2 4.25Å; M1019-L1047 HydrophobicContact CG-CG 4.27Å; M1019-L1047 HydrophobicContact SD-CB 4.34Å
1020	K	80	Confident	67.8	Low	100 Å²	100	75 Å²	75	44%	0.435	46%	0.456	S	S	.	.	H	α-helix	trans	-76	-54.4	166.4	-64.7	172.5	-169.2	160.6	0	110.1	S1016 D1017 L1018 V1022 K1023 E1024	S1016-K1020 PolarHBondContact O-N 3.23Å; D1017-K1020 WeakPolarHBondContact O-CA 3.4Å; D1017-K1020 VanDerWaalsContact O-CB 3.32Å; D1017-K1020 WeakPolarHBondContact O-CB 3.42Å; D1017-K1020 PolarHBondContact O-N 2.86Å; D1017-K1020 WeakPolarHBondContact OD1-CE 3.46Å; D1017-K1020 IonicContact OD1-NZ 2.88Å; D1017-K1020 PolarHBondContact OD1-NZ 3.3Å; L1018-K1020 VanDerWaalsContact C-N 3.28Å; L1018-K1020 PolarHBondContact O-N 3.33Å; K1020-V1022 VanDerWaalsContact C-N 3.28Å; K1020-V1022 PolarHBondContact O-N 3.2Å; K1020-K1023 CarbonylContact O-C 3.6Å; K1020-K1023 WeakPolarHBondContact O-CA 3.32Å; K1020-K1023 WeakPolarHBondContact O-CB 3.46Å; K1020-K1023 PolarHBondContact O-N 2.93Å; K1020-E1024 WeakPolarHBondContact O-CG 3.48Å; K1020-E1024 PolarHBondContact O-N 3.1Å
1021	S	77.5	Confident	65.4	Low	46 Å²	46	78.7 Å²	78.7	32%	0.322	47%	0.472	S	S	.	.	H	α-helix	trans	-56.2	-40.5	-178.3	-49.4	0	0	0	0	112.7	D1017 L1018 K1023 E1024 S1025	D1017-S1021 PolarHBondContact O-N 2.89Å; D1017-S1021 PolarHBondContact O-OG 3.27Å; L1018-S1021 PolarHBondContact O-N 2.99Å; S1021-K1023 VanDerWaalsContact C-N 3.28Å; S1021-K1023 PolarHBondContact O-N 3.24Å; S1021-E1024 PolarHBondContact O-N 3.05Å; S1021-S1025 WeakPolarHBondContact O-CB 3.05Å; S1021-S1025 PolarHBondContact O-N 2.67Å; S1021-S1025 PolarHBondContact O-OG 2.83Å
1022	V	77.8	Confident	63.7	Low	29 Å²	29	79.3 Å²	79.3	18%	0.176	48%	0.483	C	S	.	.	H	α-helix	trans	-71.1	-18.4	176.7	172.1	0	0	0	0	113.2	L1018 K1020 F1040 L1042 L1047	L1018-V1022 WeakPolarHBondContact O-CB 3.19Å; L1018-V1022 VanDerWaalsContact O-CG2 3.24Å; L1018-V1022 WeakPolarHBondContact O-CG2 3.36Å; L1018-V1022 PolarHBondContact O-N 2.99Å; K1020-V1022 VanDerWaalsContact C-N 3.28Å; K1020-V1022 PolarHBondContact O-N 3.2Å; V1022-F1040 HydrophobicContact CG2-CB 3.87Å; V1022-L1042 HydrophobicContact CG1-CB 4.14Å; V1022-L1047 HydrophobicContact CG2-CD1 4.37Å
1023	K	73.6	Confident	61.8	Low	142 Å²	142	86.9 Å²	86.9	62%	0.617	52%	0.524	S	S	*	.	H	α-helix	trans	-88.9	-38.8	170.4	-77.6	177.8	164.5	-156.7	0	112.9	M1019 K1020 S1021 S1025 G1026 L1042	M1019-K1023 WeakPolarHBondContact O-CD 3.44Å; M1019-K1023 VanDerWaalsContact O-CG 3.29Å; M1019-K1023 WeakPolarHBondContact O-CG 3.26Å; K1020-K1023 CarbonylContact O-C 3.6Å; K1020-K1023 WeakPolarHBondContact O-CA 3.32Å; K1020-K1023 WeakPolarHBondContact O-CB 3.46Å; K1020-K1023 PolarHBondContact O-N 2.93Å; S1021-K1023 VanDerWaalsContact C-N 3.28Å; S1021-K1023 PolarHBondContact O-N 3.24Å; K1023-S1025 VanDerWaalsContact C-N 3.28Å; K1023-G1026 WeakPolarHBondContact O-CA 3.49Å; K1023-G1026 PolarHBondContact O-N 2.85Å; K1023-G1026 VanDerWaalsContact O-N 3.14Å; K1023-L1042 HydrophobicContact CG-CD2 4.1Å
1024	E	68.1	Low	60.3	Low	147 Å²	147	86.1 Å²	86.1	69%	0.687	52%	0.521	S	S	*	.	H	α-helix	trans	-70.1	-28.2	178.8	-71.9	151.3	-173.8	0	0	111	K1020 S1021 G1026	K1020-E1024 WeakPolarHBondContact O-CG 3.48Å; K1020-E1024 PolarHBondContact O-N 3.1Å; S1021-E1024 PolarHBondContact O-N 3.05Å; E1024-G1026 PolarHBondContact O-N 3.42Å
1025	S	60	Low	59	Low	65 Å²	65	93 Å²	93	46%	0.455	54%	0.541	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	21.7	164	-53.6	0	0	0	0	113.9	S1021 K1023 G1027	S1021-S1025 WeakPolarHBondContact O-CB 3.05Å; S1021-S1025 PolarHBondContact O-N 2.67Å; S1021-S1025 PolarHBondContact O-OG 2.83Å; K1023-S1025 VanDerWaalsContact C-N 3.28Å; S1025-G1027 PolarHBondContact O-N 3.26Å
1026	G	49.7	Very low	57.7	Low	62 Å²	62	99.8 Å²	99.8	64%	0.639	57%	0.573	S	S	*	*	S	Bend	trans	-79.9	82.7	-167.9	0	0	0	0	0	114.2	K1023 E1024	K1023-G1026 WeakPolarHBondContact O-CA 3.49Å; K1023-G1026 PolarHBondContact O-N 2.85Å; K1023-G1026 VanDerWaalsContact O-N 3.14Å; E1024-G1026 PolarHBondContact O-N 3.42Å
1027	G	40.1	Very low	56.7	Low	90 Å²	90	99 Å²	99	93%	0.928	57%	0.569	S	S	*	*	S	Bend	trans	88	7.9	159.5	0	0	0	0	0	117.4	S1025	S1025-G1027 PolarHBondContact O-N 3.26Å
1028	G	32.7	Very low	55.8	Low	66 Å²	66	102.7 Å²	102.7	68%	0.68	58%	0.583	S	S	*	*			trans	-131.3	142.2	174.8	0	0	0	0	0	112.6
1029	I	34	Very low	55.6	Low	164 Å²	164	103 Å²	103	84%	0.841	59%	0.59	S	S	*	*			trans	-102	128.4	177.6	-59.4	167.9	0	0	0	109.6
1030	T	39.7	Very low	55.6	Low	138 Å²	138	103.7 Å²	103.7	85%	0.847	59%	0.593	S	S	*	*			trans	-142.7	154.5	151.6	30.2	0	0	0	0	110.2	G1032	T1030-G1032 PolarHBondContact O-N 3.29Å
1031	K	33.9	Very low	55.6	Low	216 Å²	216	105.9 Å²	105.9	94%	0.939	60%	0.599	S	S	*	*	S	Bend	trans	-85.7	109.9	-173.7	-66.6	173.9	-179.3	172	0	111.3
1032	G	35.9	Very low	55.9	Low	63 Å²	63	106 Å²	106	65%	0.649	60%	0.596	S	S	*	*	S	Bend	trans	160.1	138.8	171.6	0	0	0	0	0	111.8	T1030	T1030-G1032 PolarHBondContact O-N 3.29Å
1033	D	34.8	Very low	55.8	Low	169 Å²	169	109 Å²	109	90%	0.904	61%	0.61	S	S	*	*	S	Bend	trans	44.2	69.7	157.4	-57.6	-20.4	0	0	0	119.6
1034	S	45.4	Very low	55.5	Low	74 Å²	74	106.1 Å²	106.1	52%	0.517	60%	0.599	S	S	.	*				-179.2	100.9	124.5	43	0	0	0	0	114	E1036	S1034-E1036 PolarHBondContact O-N 3.08Å; S1034-E1036 VanDerWaalsContact O-N 3.11Å
1035	R	50.9	Low	55.9	Low	232 Å²	232	100.1 Å²	100.1	88%	0.875	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	-2.3	171.2	-104.8	-178.4	175.8	167.1	0.5	114.7
1036	E	54.4	Low	56.9	Low	148 Å²	148	97.3 Å²	97.3	69%	0.692	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	-18.4	-171.4	-55.9	-158.4	131.7	0	0	113.4	S1034 F1040	S1034-E1036 PolarHBondContact O-N 3.08Å; S1034-E1036 VanDerWaalsContact O-N 3.11Å; E1036-F1040 VanDerWaalsContact O-CD2 3.24Å; E1036-F1040 WeakPolarHBondContact O-CD2 3.31Å; E1036-F1040 WeakPolarHBondContact O-CE2 3.32Å
1037	A	58.7	Low	58.6	Low	19 Å²	19	94.4 Å²	94.4	16%	0.157	53%	0.527	C	S	.	.	S	Bend	trans	-78.6	-36.2	-177.2	0	0	0	0	0	114.3	G1039 F1040	A1037-G1039 PolarHBondContact O-N 3.19Å; A1037-F1040 PolarHBondContact O-N 2.94Å
1038	E	62	Low	60.6	Low	155 Å²	155	91.9 Å²	91.9	72%	0.724	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-22	-174	-60.8	-175	123.6	0	0	114.4
1039	G	75.8	Confident	62.9	Low	24 Å²	24	92.4 Å²	92.4	25%	0.247	47%	0.473	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	0.3	-180	0	0	0	0	0	115.6	A1037 K1049 R1050	A1037-G1039 PolarHBondContact O-N 3.19Å; G1039-K1049 CarbonylContact O-C 3.58Å; G1039-K1049 WeakPolarHBondContact O-CA 3.13Å; G1039-K1049 WeakPolarHBondContact O-CG 3.48Å; G1039-R1050 WeakPolarHBondContact O-CB 3.45Å; G1039-R1050 PolarHBondContact O-N 3.02Å
1040	F	82	Confident	65	Low	28 Å²	28	90.9 Å²	90.9	12%	0.123	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	158.2	-170.2	-62.4	-89	0	0	0	114	L1018 V1022 E1036 A1037 L1047 Y1048 K1049 I1388	L1018-F1040 HydrophobicContact CD1-CE2 4.47Å; L1018-F1040 HydrophobicContact CD1-CZ 4.18Å; L1018-F1040 HydrophobicContact CD2-CD2 4.49Å; L1018-F1040 HydrophobicContact CD2-CE2 4.29Å; V1022-F1040 HydrophobicContact CG2-CB 3.87Å; E1036-F1040 VanDerWaalsContact O-CD2 3.24Å; E1036-F1040 WeakPolarHBondContact O-CD2 3.31Å; E1036-F1040 WeakPolarHBondContact O-CE2 3.32Å; A1037-F1040 PolarHBondContact O-N 2.94Å; F1040-L1047 HydrophobicContact CB-CD1 4.16Å; F1040-L1047 HydrophobicContact CD1-CD2 3.93Å; F1040-L1047 HydrophobicContact CD1-CG 4.17Å; F1040-L1047 HydrophobicContact CE1-CD2 4.4Å; F1040-Y1048 CarbonylContact C-O 3.49Å; F1040-Y1048 VanDerWaalsContact CA-O 3.29Å; F1040-Y1048 WeakPolarHBondContact CA-O 3.07Å; F1040-K1049 HydrophobicContact CD1-CB 3.91Å; F1040-K1049 HydrophobicContact CD1-CG 4.08Å; F1040-K1049 HydrophobicContact CE1-CB 3.79Å; F1040-K1049 HydrophobicContact CE1-CD 3.91Å; F1040-K1049 HydrophobicContact CE1-CG 3.73Å; F1040-K1049 HydrophobicContact CZ-CD 4.05Å; F1040-K1049 HydrophobicContact CZ-CG 4.17Å; F1040-I1388 HydrophobicContact CE1-CD1 4.22Å; F1040-I1388 HydrophobicContact CZ-CD1 3.95Å
1041	R	81.7	Confident	66.7	Low	146 Å²	146	85.9 Å²	85.9	55%	0.551	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.7	132.9	174.5	-170.6	177.5	-161.3	-174.7	8	110.3	Y1048 W1058	R1041-Y1048 PolarHBondContact N-O 3.43Å; R1041-Y1048 PolarHBondContact O-N 2.97Å; R1041-W1058 HydrophobicContact CB-CD2 4.25Å; R1041-W1058 HydrophobicContact CB-CE3 3.72Å; R1041-W1058 HydrophobicContact CB-CH2 3.55Å; R1041-W1058 HydrophobicContact CB-CZ2 4.06Å; R1041-W1058 HydrophobicContact CB-CZ3 3.35Å; R1041-W1058 HydrophobicContact CG-CH2 4.44Å
1042	L	82.4	Confident	68.2	Low	50 Å²	50	81.3 Å²	81.3	26%	0.262	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	128.8	168.6	-159.4	75	0	0	0	108.9	M1019 V1022 K1023 L1047	M1019-L1042 HydrophobicContact CB-CD1 4.46Å; M1019-L1042 HydrophobicContact CE-CD1 3.69Å; M1019-L1042 HydrophobicContact CG-CD1 3.96Å; V1022-L1042 HydrophobicContact CG1-CB 4.14Å; K1023-L1042 HydrophobicContact CG-CD2 4.1Å; L1042-L1047 HydrophobicContact CD1-CD1 4.28Å
1043	N	75.8	Confident	69.3	Low	90 Å²	90	88.2 Å²	88.2	48%	0.481	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	124.3	170.5	-176.8	30.1	0	0	0	109.4	G1045 V1046 Y1048	N1043-G1045 PolarHBondContact O-N 3.09Å; N1043-V1046 PolarHBondContact N-O 3.48Å; N1043-V1046 WeakPolarHBondContact O-CA 3.14Å; N1043-V1046 WeakPolarHBondContact O-CB 3.26Å; N1043-V1046 PolarHBondContact O-N 3.39Å; N1043-Y1048 HydrophobicContact CB-CD2 4.01Å; N1043-Y1048 HydrophobicContact CB-CE2 3.83Å
1044	E	68.6	Low	69.9	Low	82 Å²	82	86.9 Å²	86.9	38%	0.383	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.2	25.8	-176.4	-65.9	-154.4	173.7	0	0	116.5	R276 R1400	R276-E1044 IonicContact CZ-OE2 2.67Å; R276-E1044 IonicContact NH1-OE2 3.93Å; R276-E1044 PolarHBondContact NH1-OE2 2.83Å; R276-E1044 PolarHBondContact NH2-O 2.74Å; R276-E1044 IonicContact NH2-OE2 3.1Å; R276-E1044 PolarHBondContact NH2-OE2 3.32Å; E1044-R1400 IonicContact OE1-CZ 2.74Å; E1044-R1400 IonicContact OE1-NH1 2.94Å; E1044-R1400 PolarHBondContact OE1-NH1 2.96Å; E1044-R1400 IonicContact OE1-NH2 2.8Å; E1044-R1400 PolarHBondContact OE1-NH2 3.06Å; E1044-R1400 IonicContact OE2-CZ 2.93Å; E1044-R1400 IonicContact OE2-NH2 3.54Å; E1044-R1400 PolarHBondContact OE2-NH2 3.39Å
1045	G	74.8	Confident	70.6	Confident	21 Å²	21	86.5 Å²	86.5	22%	0.216	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.8	9	-176.2	0	0	0	0	0	115	M1019 N1043	M1019-G1045 WeakPolarHBondContact CE-O 3.38Å; N1043-G1045 PolarHBondContact O-N 3.09Å
1046	V	82.7	Confident	70.7	Confident	7 Å²	7	81.8 Å²	81.8	4%	0.042	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	134.4	167.7	175.6	0	0	0	0	109.3	A1006 N1043 Y1048 L1060	A1006-V1046 HydrophobicContact CB-CG2 3.69Å; N1043-V1046 PolarHBondContact N-O 3.48Å; N1043-V1046 WeakPolarHBondContact O-CA 3.14Å; N1043-V1046 WeakPolarHBondContact O-CB 3.26Å; N1043-V1046 PolarHBondContact O-N 3.39Å; V1046-Y1048 HydrophobicContact CB-CD2 4.44Å; V1046-Y1048 HydrophobicContact CB-CE2 3.7Å; V1046-Y1048 HydrophobicContact CG1-CD2 4.04Å; V1046-Y1048 HydrophobicContact CG1-CE1 4.46Å; V1046-Y1048 HydrophobicContact CG1-CE2 3.41Å; V1046-Y1048 VanDerWaalsContact CG1-CE2 3.41Å; V1046-L1060 HydrophobicContact CG1-CD1 3.31Å
1047	L	84.9	Confident	71.3	Confident	0 Å²	0	78.5 Å²	78.5	0%	0	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	128	173	-165.9	72.6	0	0	0	110.8	Q1009 I1015 L1018 M1019 V1022 F1040 L1042 A1061	Q1009-L1047 PolarHBondContact NE2-O 3.48Å; I1015-L1047 HydrophobicContact CG2-CB 4.17Å; I1015-L1047 HydrophobicContact CG2-CD2 3.83Å; L1018-L1047 HydrophobicContact CB-CD2 3.99Å; M1019-L1047 HydrophobicContact CG-CB 3.88Å; M1019-L1047 HydrophobicContact CG-CD1 4.05Å; M1019-L1047 HydrophobicContact CG-CD2 4.25Å; M1019-L1047 HydrophobicContact CG-CG 4.27Å; M1019-L1047 HydrophobicContact SD-CB 4.34Å; V1022-L1047 HydrophobicContact CG2-CD1 4.37Å; F1040-L1047 HydrophobicContact CB-CD1 4.16Å; F1040-L1047 HydrophobicContact CD1-CD2 3.93Å; F1040-L1047 HydrophobicContact CD1-CG 4.17Å; F1040-L1047 HydrophobicContact CE1-CD2 4.4Å; L1042-L1047 HydrophobicContact CD1-CD1 4.28Å; L1047-A1061 HydrophobicContact CB-CB 4.47Å; L1047-A1061 HydrophobicContact CD2-CB 4.38Å; L1047-A1061 PolarHBondContact O-N 2.69Å
1048	Y	82.3	Confident	72.2	Confident	37 Å²	37	81.2 Å²	81.2	15%	0.145	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	148.7	170.9	-64.3	-97.1	0	0	0	110.4	F1040 R1041 N1043 V1046 W1058 L1059 L1060	F1040-Y1048 CarbonylContact C-O 3.49Å; F1040-Y1048 VanDerWaalsContact CA-O 3.29Å; F1040-Y1048 WeakPolarHBondContact CA-O 3.07Å; R1041-Y1048 PolarHBondContact N-O 3.43Å; R1041-Y1048 PolarHBondContact O-N 2.97Å; N1043-Y1048 HydrophobicContact CB-CD2 4.01Å; N1043-Y1048 HydrophobicContact CB-CE2 3.83Å; V1046-Y1048 HydrophobicContact CB-CD2 4.44Å; V1046-Y1048 HydrophobicContact CB-CE2 3.7Å; V1046-Y1048 HydrophobicContact CG1-CD2 4.04Å; V1046-Y1048 HydrophobicContact CG1-CE1 4.46Å; V1046-Y1048 HydrophobicContact CG1-CE2 3.41Å; V1046-Y1048 VanDerWaalsContact CG1-CE2 3.41Å; Y1048-W1058 HydrophobicContact CD1-CB 4.2Å; Y1048-W1058 HydrophobicContact CG-CB 4.35Å; Y1048-L1059 CarbonylContact C-O 3.6Å; Y1048-L1059 VanDerWaalsContact CA-O 3.27Å; Y1048-L1059 WeakPolarHBondContact CA-O 3.38Å; Y1048-L1060 HydrophobicContact CD1-CD1 4.42Å; Y1048-L1060 HydrophobicContact CE1-CB 4.45Å; Y1048-L1060 HydrophobicContact CE1-CD1 3.95Å
1049	K	81.3	Confident	72.7	Confident	77 Å²	77	75.4 Å²	75.4	34%	0.335	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	136.8	170.5	-170.4	173.8	-179.6	167	0	109.9	G1039 F1040 W1058 L1059	G1039-K1049 CarbonylContact O-C 3.58Å; G1039-K1049 WeakPolarHBondContact O-CA 3.13Å; G1039-K1049 WeakPolarHBondContact O-CG 3.48Å; F1040-K1049 HydrophobicContact CD1-CB 3.91Å; F1040-K1049 HydrophobicContact CD1-CG 4.08Å; F1040-K1049 HydrophobicContact CE1-CB 3.79Å; F1040-K1049 HydrophobicContact CE1-CD 3.91Å; F1040-K1049 HydrophobicContact CE1-CG 3.73Å; F1040-K1049 HydrophobicContact CZ-CD 4.05Å; F1040-K1049 HydrophobicContact CZ-CG 4.17Å; K1049-W1058 WeakPolarHBondContact O-CA 3.07Å; K1049-L1059 PolarHBondContact N-O 3.15Å; K1049-L1059 PolarHBondContact O-N 3.15Å
1050	R	78	Confident	72.7	Confident	132 Å²	132	75.4 Å²	75.4	50%	0.498	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	142.2	173.9	-174.4	175.2	137.3	167.7	-2.8	110.1	G1039 D1052 W1058	G1039-R1050 WeakPolarHBondContact O-CB 3.45Å; G1039-R1050 PolarHBondContact O-N 3.02Å; R1050-D1052 IonicContact CZ-OD1 2.95Å; R1050-D1052 IonicContact NE-OD1 2.68Å; R1050-D1052 PolarHBondContact NE-OD1 2.99Å; R1050-D1052 IonicContact NH2-OD1 2.79Å; R1050-D1052 PolarHBondContact NH2-OD1 3.46Å; R1050-W1058 HydrophobicContact CB-CE3 4.17Å; R1050-W1058 HydrophobicContact CB-CH2 3.84Å; R1050-W1058 HydrophobicContact CB-CZ3 3.59Å; R1050-W1058 HydrophobicContact CG-CH2 4.23Å; R1050-W1058 HydrophobicContact CG-CZ3 4.4Å
1051	N	74.2	Confident	72.5	Confident	34 Å²	34	74.1 Å²	74.1	18%	0.182	36%	0.362	C	S	.	.			trans	-121.6	101.1	-179.7	174.4	34.2	0	0	0	111.1	R1053 R1056 S1057 L1059	N1051-R1053 PolarHBondContact ND2-O 2.79Å; N1051-R1053 PolarHBondContact O-N 3.07Å; N1051-R1053 PolarHBondContact OD1-N 2.66Å; N1051-R1053 PolarHBondContact OD1-O 3.17Å; N1051-R1056 WeakPolarHBondContact CB-O 3.43Å; N1051-R1056 PolarHBondContact ND2-O 3.39Å; N1051-S1057 PolarHBondContact N-O 3.39Å; N1051-L1059 HydrophobicContact CB-CD1 3.83Å; N1051-L1059 HydrophobicContact CB-CG 3.91Å
1052	D	65.5	Low	72.1	Confident	119 Å²	119	67.7 Å²	67.7	64%	0.636	34%	0.338	S	S	*	.			trans	-79	28.3	179.4	-46.7	-79.7	0	0	0	113.3	R1050	R1050-D1052 IonicContact CZ-OD1 2.95Å; R1050-D1052 IonicContact NE-OD1 2.68Å; R1050-D1052 PolarHBondContact NE-OD1 2.99Å; R1050-D1052 IonicContact NH2-OD1 2.79Å; R1050-D1052 PolarHBondContact NH2-OD1 3.46Å
1053	R	58.2	Low	71.4	Confident	208 Å²	208	65.3 Å²	65.3	79%	0.785	33%	0.326	S	S	*	.	S	Bend	trans	-141.1	149.1	-177.9	-61.8	-175.8	175.1	-156.9	-5.4	111.3	N1051 G1055	N1051-R1053 PolarHBondContact ND2-O 2.79Å; N1051-R1053 PolarHBondContact O-N 3.07Å; N1051-R1053 PolarHBondContact OD1-N 2.66Å; N1051-R1053 PolarHBondContact OD1-O 3.17Å; R1053-G1055 PolarHBondContact O-N 2.97Å
1054	N	48.2	Very low	70.8	Confident	142 Å²	142	66.4 Å²	66.4	76%	0.759	33%	0.328	S	S	*	.	S	Bend	trans	-42.5	113	176.8	-76.3	-28.8	0	0	0	112.7
1055	G	60.5	Low	69.9	Low	65 Å²	65	64.8 Å²	64.8	67%	0.67	32%	0.319	S	S	*	.	S	Bend	trans	159.6	-162.6	-174	0	0	0	0	0	110.8	R1053	R1053-G1055 PolarHBondContact O-N 2.97Å
1056	R	52.8	Low	68.8	Low	134 Å²	134	66.4 Å²	66.4	51%	0.506	32%	0.322	S	S	.	.			trans	-66	135.1	166.7	-65.7	-173.1	-177.1	176	5.3	108.7	N1051 W1058 A1393	N1051-R1056 WeakPolarHBondContact CB-O 3.43Å; N1051-R1056 PolarHBondContact ND2-O 3.39Å; R1056-W1058 PolarHBondContact O-N 3.34Å; R1056-W1058 VanDerWaalsContact O-N 3.15Å; R1056-A1393 PolarHBondContact NH1-O 3.17Å; R1056-A1393 PolarHBondContact NH2-O 3.21Å
1057	S	67.9	Low	67.1	Low	79 Å²	79	69.7 Å²	69.7	55%	0.552	34%	0.337	S	S	*	.	S	Bend	trans	-64.6	-16.2	-177.2	46.2	0	0	0	0	114.4	N1051	N1051-S1057 PolarHBondContact N-O 3.39Å
1058	W	75.7	Confident	65	Low	75 Å²	75	79.6 Å²	79.6	28%	0.284	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	128.9	178.2	-64.5	97.4	0	0	0	109.9	R1041 Y1048 K1049 R1050 R1056	R1041-W1058 HydrophobicContact CB-CD2 4.25Å; R1041-W1058 HydrophobicContact CB-CE3 3.72Å; R1041-W1058 HydrophobicContact CB-CH2 3.55Å; R1041-W1058 HydrophobicContact CB-CZ2 4.06Å; R1041-W1058 HydrophobicContact CB-CZ3 3.35Å; R1041-W1058 HydrophobicContact CG-CH2 4.44Å; Y1048-W1058 HydrophobicContact CD1-CB 4.2Å; Y1048-W1058 HydrophobicContact CG-CB 4.35Å; K1049-W1058 WeakPolarHBondContact O-CA 3.07Å; R1050-W1058 HydrophobicContact CB-CE3 4.17Å; R1050-W1058 HydrophobicContact CB-CH2 3.84Å; R1050-W1058 HydrophobicContact CB-CZ3 3.59Å; R1050-W1058 HydrophobicContact CG-CH2 4.23Å; R1050-W1058 HydrophobicContact CG-CZ3 4.4Å; R1056-W1058 PolarHBondContact O-N 3.34Å; R1056-W1058 VanDerWaalsContact O-N 3.15Å
1059	L	73	Confident	62.8	Low	34 Å²	34	82.3 Å²	82.3	18%	0.178	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	146.1	177.3	-66.8	168.8	0	0	0	110.3	Y1048 K1049 N1051 A1061 A1390 P1392	Y1048-L1059 CarbonylContact C-O 3.6Å; Y1048-L1059 VanDerWaalsContact CA-O 3.27Å; Y1048-L1059 WeakPolarHBondContact CA-O 3.38Å; K1049-L1059 PolarHBondContact N-O 3.15Å; K1049-L1059 PolarHBondContact O-N 3.15Å; N1051-L1059 HydrophobicContact CB-CD1 3.83Å; N1051-L1059 HydrophobicContact CB-CG 3.91Å; L1059-A1061 PolarHBondContact O-N 2.93Å; L1059-A1390 HydrophobicContact CB-CB 3.57Å; L1059-A1390 HydrophobicContact CD1-CB 4.4Å; L1059-P1392 HydrophobicContact CD2-CG 4.2Å
1060	L	76.3	Confident	60.7	Low	24 Å²	24	86.6 Å²	86.6	13%	0.126	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	118.3	-173.8	-176.2	62.7	0	0	0	111	M1005 V1046 Y1048 V1062 A1390 I1391 A1393	M1005-L1060 HydrophobicContact CE-CD2 4.01Å; M1005-L1060 HydrophobicContact CG-CD1 3.92Å; M1005-L1060 HydrophobicContact CG-CD2 4.01Å; M1005-L1060 HydrophobicContact CG-CG 4.12Å; M1005-L1060 HydrophobicContact SD-CD2 4.49Å; V1046-L1060 HydrophobicContact CG1-CD1 3.31Å; Y1048-L1060 HydrophobicContact CD1-CD1 4.42Å; Y1048-L1060 HydrophobicContact CE1-CB 4.45Å; Y1048-L1060 HydrophobicContact CE1-CD1 3.95Å; L1060-V1062 WeakPolarHBondContact O-CG2 3.38Å; L1060-V1062 PolarHBondContact O-N 2.8Å; L1060-A1390 WeakPolarHBondContact O-CA 3.44Å; L1060-I1391 PolarHBondContact N-O 3.13Å; L1060-I1391 PolarHBondContact O-N 2.98Å; L1060-A1393 HydrophobicContact CD2-CB 4.33Å
1061	A	77.9	Confident	58.7	Low	0 Å²	0	88.4 Å²	88.4	0%	0	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	119.8	-179.2	0	0	0	0	0	110.9	Q1009 I1015 L1047 L1059 P1063 I1388	Q1009-A1061 PolarHBondContact NE2-O 3.28Å; I1015-A1061 HydrophobicContact CD1-CB 4.36Å; L1047-A1061 HydrophobicContact CB-CB 4.47Å; L1047-A1061 HydrophobicContact CD2-CB 4.38Å; L1047-A1061 PolarHBondContact O-N 2.69Å; L1059-A1061 PolarHBondContact O-N 2.93Å; A1061-P1063 WeakPolarHBondContact O-CD 3.39Å; A1061-I1388 HydrophobicContact CB-CG2 3.96Å
1062	V	72.5	Confident	57.4	Low	11 Å²	11	91.7 Å²	91.7	7%	0.067	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-99	119.9	-169.7	-177.9	0	0	0	0	112.7	L1060 L1066 Q1067 V1389 I1391	L1060-V1062 WeakPolarHBondContact O-CG2 3.38Å; L1060-V1062 PolarHBondContact O-N 2.8Å; V1062-L1066 HydrophobicContact CG1-CB 3.97Å; V1062-Q1067 HydrophobicContact CG1-CG 4.42Å; V1062-Q1067 PolarHBondContact O-NE2 3.13Å; V1062-V1389 PolarHBondContact N-O 2.93Å; V1062-I1391 HydrophobicContact CG2-CB 4.26Å; V1062-I1391 HydrophobicContact CG2-CD1 3.77Å; V1062-I1391 HydrophobicContact CG2-CG1 3.73Å
1063	P	69.3	Low	56.5	Low	0 Å²	0	91.8 Å²	91.8	0%	0	46%	0.457	C	S	.	.	P	Polyproline II helix	trans	-54.3	142.5	176.2	-34.3	41.9	0	0	0	115.7	M1005 A1008 Q1009 D1012 I1015 A1061 R1065 L1066 Q1067	M1005-P1063 HydrophobicContact SD-CG 4.44Å; A1008-P1063 HydrophobicContact CB-CB 4.24Å; A1008-P1063 HydrophobicContact CB-CG 3.65Å; A1008-P1063 WeakPolarHBondContact O-CG 3.28Å; Q1009-P1063 HydrophobicContact CB-CG 4.35Å; Q1009-P1063 HydrophobicContact CG-CG 3.74Å; D1012-P1063 HydrophobicContact CB-CB 3.97Å; D1012-P1063 HydrophobicContact CB-CG 4.42Å; D1012-P1063 VanDerWaalsContact OD2-CA 3.24Å; D1012-P1063 WeakPolarHBondContact OD2-CA 3.34Å; I1015-P1063 HydrophobicContact CD1-CB 4.45Å; I1015-P1063 HydrophobicContact CD1-CG 4.03Å; A1061-P1063 WeakPolarHBondContact O-CD 3.39Å; P1063-R1065 HydrophobicContact CB-CG 3.95Å; P1063-R1065 PolarHBondContact O-N 3.36Å; P1063-L1066 HydrophobicContact CB-CG 4.37Å; P1063-L1066 CarbonylContact O-C 3.56Å; P1063-L1066 WeakPolarHBondContact O-CA 3.5Å; P1063-L1066 WeakPolarHBondContact O-CB 3.16Å; P1063-L1066 PolarHBondContact O-N 3.1Å; P1063-Q1067 WeakPolarHBondContact O-CG 3.44Å; P1063-Q1067 PolarHBondContact O-N 3.49Å
1064	E	61.4	Low	56.3	Low	114 Å²	114	85.4 Å²	85.4	53%	0.533	44%	0.442	S	S	.	.	G	3₁₀ helix	trans	-52.1	-40	173.8	-175.7	175.4	-133.7	0	0	111.6	D1012 L1066 Q1067	D1012-E1064 WeakPolarHBondContact OD2-CB 3.43Å; D1012-E1064 PolarHBondContact OD2-N 3.09Å; E1064-L1066 PolarHBondContact O-N 2.96Å; E1064-L1066 VanDerWaalsContact O-N 3.1Å; E1064-Q1067 WeakPolarHBondContact O-CB 3.43Å; E1064-Q1067 PolarHBondContact O-N 3.3Å
1065	R	51.3	Low	56.3	Low	48 Å²	48	79.6 Å²	79.6	18%	0.181	41%	0.414	C	S	.	.	G	3₁₀ helix	trans	-64.9	-12.4	175.3	73.2	176.1	-160.3	81.1	-10.6	115.2	P1063 L1321	P1063-R1065 HydrophobicContact CB-CG 3.95Å; P1063-R1065 PolarHBondContact O-N 3.36Å; R1065-L1321 VanDerWaalsContact CZ-CD2 3.45Å; R1065-L1321 VanDerWaalsContact CZ-CG 3.47Å; R1065-L1321 VanDerWaalsContact NE-CD2 3.33Å
1066	L	50.5	Low	56.2	Low	55 Å²	55	76.7 Å²	76.7	29%	0.288	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-107.5	-10.8	172.1	-60.7	-173.9	0	0	0	112.5	M1005 A1008 V1062 P1063 E1064 K1320	M1005-L1066 HydrophobicContact CE-CD1 3.7Å; M1005-L1066 HydrophobicContact SD-CD1 3.69Å; A1008-L1066 HydrophobicContact CB-CD1 3.68Å; A1008-L1066 HydrophobicContact CB-CG 4.2Å; V1062-L1066 HydrophobicContact CG1-CB 3.97Å; P1063-L1066 HydrophobicContact CB-CG 4.37Å; P1063-L1066 CarbonylContact O-C 3.56Å; P1063-L1066 WeakPolarHBondContact O-CA 3.5Å; P1063-L1066 WeakPolarHBondContact O-CB 3.16Å; P1063-L1066 PolarHBondContact O-N 3.1Å; E1064-L1066 PolarHBondContact O-N 2.96Å; E1064-L1066 VanDerWaalsContact O-N 3.1Å; L1066-K1320 HydrophobicContact CD2-CB 4.48Å; L1066-K1320 HydrophobicContact CD2-CD 3.64Å
1067	Q	47.2	Very low	56.7	Low	76 Å²	76	73.2 Å²	73.2	36%	0.355	37%	0.374	S	S	.	.	S	Bend	trans	-75.8	160.9	168.5	-61.5	172.6	34.2	0	0	110.1	V1062 P1063 E1064 V1069	V1062-Q1067 HydrophobicContact CG1-CG 4.42Å; V1062-Q1067 PolarHBondContact O-NE2 3.13Å; P1063-Q1067 WeakPolarHBondContact O-CG 3.44Å; P1063-Q1067 PolarHBondContact O-N 3.49Å; E1064-Q1067 WeakPolarHBondContact O-CB 3.43Å; E1064-Q1067 PolarHBondContact O-N 3.3Å; Q1067-V1069 PolarHBondContact O-N 3.45Å
1068	K	40.8	Very low	56.6	Low	208 Å²	208	70.1 Å²	70.1	90%	0.904	35%	0.351	S	S	*	.			trans	-77.8	110.2	-180	-78.7	-176.9	176.4	177.2	0	110.6
1069	V	37.1	Very low	56.1	Low	94 Å²	94	71.2 Å²	71.2	57%	0.57	36%	0.36	S	S	*	.			trans	-70.7	129.8	172	-176.8	0	0	0	0	110.6	Q1067	Q1067-V1069 PolarHBondContact O-N 3.45Å
1070	E	35.9	Very low	55.7	Low	167 Å²	167	71.8 Å²	71.8	78%	0.78	37%	0.366	S	S	*	.			trans	20.2	120.7	166.7	-60.4	-174.9	138.6	0	0	120.1	V1072	E1070-V1072 PolarHBondContact O-N 3.21Å
1071	N	35.9	Very low	55.8	Low	169 Å²	169	73 Å²	73	90%	0.904	37%	0.373	S	S	*	.			trans	-75.2	86.6	176.8	-70.7	-35.1	0	0	0	112.8
1072	V	46.8	Very low	55.9	Low	103 Å²	103	77.4 Å²	77.4	62%	0.624	40%	0.399	S	S	*	.			trans	-116.2	133.3	166.7	-175.1	0	0	0	0	109.8	E1070	E1070-V1072 PolarHBondContact O-N 3.21Å
1073	K	48.5	Very low	56.5	Low	122 Å²	122	77 Å²	77	53%	0.53	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-53.7	132.8	175.7	-75.3	-167.9	-179.6	-173.5	0	110.4	G1292	K1073-G1292 PolarHBondContact NZ-O 3.41Å
1074	P	52.5	Low	57.5	Low	73 Å²	73	77.6 Å²	77.6	47%	0.474	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-57	147.8	175.2	-22.5	32.5	0	0	0	111.3	R1294 R1295	P1074-R1294 HydrophobicContact CB-CG 4.14Å; P1074-R1294 CarbonylContact O-C 3.56Å; P1074-R1294 WeakPolarHBondContact O-CA 3.26Å; P1074-R1294 WeakPolarHBondContact O-CB 3.33Å; P1074-R1294 WeakPolarHBondContact O-CG 3.33Å; P1074-R1295 PolarHBondContact O-N 3.33Å
1075	A	49.5	Very low	58.7	Low	20 Å²	20	76.8 Å²	76.8	17%	0.165	40%	0.403	C	S	.	.	B	Isolated β-bridge	trans	-73.5	158.2	174.6	0	0	0	0	0	111.9	R1294 R1295	A1075-R1294 WeakPolarHBondContact O-CD 3.26Å; A1075-R1294 PolarHBondContact O-NH1 2.87Å; A1075-R1295 CarbonylContact C-O 3.52Å; A1075-R1295 WeakPolarHBondContact CA-O 3.39Å; A1075-R1295 HydrophobicContact CB-CG 4.35Å
1076	D	57.1	Low	60.4	Low	4 Å²	4	76.4 Å²	76.4	2%	0.021	41%	0.411	C	S	.	.			trans	86	151.5	164.5	-156.4	13.7	0	0	0	117.8	R1294 R1295 N1338 H1358 I1359	D1076-R1294 WeakPolarHBondContact O-CB 3.47Å; D1076-R1294 WeakPolarHBondContact O-CD 3.27Å; D1076-R1295 PolarHBondContact N-O 2.88Å; D1076-N1338 PolarHBondContact OD1-ND2 2.81Å; D1076-N1338 PolarHBondContact OD1-OD1 2.95Å; D1076-N1338 PolarHBondContact OD2-ND2 2.85Å; D1076-N1338 VanDerWaalsContact OD2-ND2 3.08Å; D1076-H1358 IonicContact OD2-CE1 3.49Å; D1076-H1358 PolarHBondContact OD2-CE1 3.19Å; D1076-H1358 IonicContact OD2-ND1 2.68Å; D1076-H1358 IonicContact OD2-NE2 2.65Å; D1076-I1359 HydrophobicContact CB-CG2 3.95Å; D1076-I1359 VanDerWaalsContact CG-CG2 3.44Å; D1076-I1359 WeakPolarHBondContact OD2-CG2 3.38Å
1077	L	64.9	Low	62.4	Low	61 Å²	61	75.6 Å²	75.6	32%	0.319	41%	0.409	S	S	.	.			trans	-98.7	163.7	-177.7	-53.9	-178.5	0	0	0	111.3	D1291	L1077-D1291 VanDerWaalsContact CA-OD1 3.32Å; L1077-D1291 WeakPolarHBondContact CA-OD1 3.27Å; L1077-D1291 WeakPolarHBondContact CB-OD1 3.3Å; L1077-D1291 HydrophobicContact CD2-CB 3.88Å
1078	L	65.5	Low	64.4	Low	14 Å²	14	72.5 Å²	72.5	7%	0.073	40%	0.398	C	S	.	.			trans	-78.5	125.2	176	-165.2	67.6	0	0	0	109.9	Q1286 K1287 Y1290 D1291	L1078-Q1286 HydrophobicContact CD2-CB 4.45Å; L1078-Q1286 HydrophobicContact CD2-CG 4.07Å; L1078-K1287 HydrophobicContact CB-CB 4.31Å; L1078-K1287 HydrophobicContact CB-CG 4.2Å; L1078-K1287 HydrophobicContact CD2-CB 4.22Å; L1078-K1287 WeakPolarHBondContact O-CD 3.46Å; L1078-K1287 PolarHBondContact O-NZ 2.95Å; L1078-Y1290 HydrophobicContact CB-CD1 3.57Å; L1078-Y1290 HydrophobicContact CB-CE1 3.87Å; L1078-Y1290 HydrophobicContact CB-CG 4.01Å; L1078-Y1290 HydrophobicContact CD1-CD1 4.36Å; L1078-Y1290 HydrophobicContact CD1-CD2 4.2Å; L1078-Y1290 HydrophobicContact CD1-CE1 4.26Å; L1078-Y1290 HydrophobicContact CD1-CE2 4.12Å; L1078-Y1290 HydrophobicContact CD1-CG 4.3Å; L1078-Y1290 HydrophobicContact CG-CD1 4.49Å; L1078-Y1290 VanDerWaalsContact N-CE1 3.34Å; L1078-D1291 PolarHBondContact N-OD1 3.44Å
1079	Q	63.5	Low	66.9	Low	99 Å²	99	64 Å²	64	46%	0.463	36%	0.361	S	S	.	.			trans	-104.9	121.2	161.1	-71.5	-179	-23.7	0	0	107.7	E1337	Q1079-E1337 PolarHBondContact NE2-OE2 3.02Å
1080	S	66.3	Low	69.5	Low	45 Å²	45	60.5 Å²	60.5	32%	0.315	34%	0.34	S	S	.	.			trans	-104.4	144.2	177.2	-61.4	0	0	0	0	110	V1082	S1080-V1082 PolarHBondContact O-N 2.8Å
1081	I	77.4	Confident	72.3	Confident	51 Å²	51	52.7 Å²	52.7	26%	0.262	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-71.5	118.2	172.1	-68.1	156.3	0	0	0	108.3	Y1115 I1152 A1185 Q1283	I1081-Y1115 HydrophobicContact CB-CD1 4.22Å; I1081-Y1115 HydrophobicContact CB-CE1 3.86Å; I1081-Y1115 HydrophobicContact CD1-CE1 3.74Å; I1081-Y1115 HydrophobicContact CG1-CE1 4.43Å; I1081-Y1115 HydrophobicContact CG2-CD1 3.78Å; I1081-Y1115 HydrophobicContact CG2-CE1 3.82Å; I1081-I1152 HydrophobicContact CD1-CD1 3.67Å; I1081-I1152 HydrophobicContact CG1-CD1 4.4Å; I1081-I1152 HydrophobicContact CG2-CD1 4.28Å; I1081-A1185 WeakPolarHBondContact CD1-O 3.3Å; I1081-Q1283 PolarHBondContact O-NE2 2.94Å; I1081-Q1283 PolarHBondContact O-OE1 3.39Å
1082	V	80.6	Confident	75	Confident	92 Å²	92	44.6 Å²	44.6	56%	0.558	26%	0.26	S	S	*	.	P	Polyproline II helix	trans	-57.1	127.9	175.1	179.8	0	0	0	0	109	S1080 L1280	S1080-V1082 PolarHBondContact O-N 2.8Å; V1082-L1280 HydrophobicContact CG1-CD2 4.35Å
1083	P	84	Confident	77.2	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.006	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-62.5	140.2	177.1	-19.1	30.6	0	0	0	111.2	R1276 C1279	P1083-R1276 HydrophobicContact CB-CG 4.35Å; P1083-R1276 PolarHBondContact O-NE 3.16Å; P1083-R1276 VanDerWaalsContact O-NE 3.1Å; P1083-R1276 PolarHBondContact O-NH2 2.97Å; P1083-C1279 HydrophobicContact CB-CB 4.29Å; P1083-C1279 HydrophobicContact CG-CB 3.55Å
1084	P	90	Very high	79.3	Confident	13 Å²	13	35.2 Å²	35.2	8%	0.084	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-63.7	173.6	178.3	23.5	-29	0	0	0	112.2	E1089 L1116 R1276	P1084-E1089 HydrophobicContact CB-CB 3.7Å; P1084-E1089 HydrophobicContact CB-CG 4.41Å; P1084-E1089 WeakPolarHBondContact CB-OE2 3.49Å; P1084-E1089 HydrophobicContact CG-CB 4.38Å; P1084-L1116 HydrophobicContact CG-CB 3.96Å; P1084-R1276 VanDerWaalsContact O-CD 3.23Å; P1084-R1276 WeakPolarHBondContact O-CD 3.41Å; P1084-R1276 PolarHBondContact O-NE 2.86Å
1085	T	87.3	Confident	81.2	Confident	97 Å²	97	33.5 Å²	33.5	60%	0.595	20%	0.198	S	C	*	.	S	Bend	trans	-88.8	-32.6	-176.5	23.9	0	0	0	0	112.8	E1089	T1085-E1089 WeakPolarHBondContact CA-OE2 3.42Å; T1085-E1089 PolarHBondContact N-OE2 2.66Å; T1085-E1089 PolarHBondContact OG1-OE2 2.83Å
1086	A	88	Confident	83.2	Confident	40 Å²	40	33.6 Å²	33.6	33%	0.331	20%	0.195	S	C	.	.	S	Bend	trans	-125	159.3	175.2	0	0	0	0	0	111.3	E1089	A1086-E1089 HydrophobicContact CB-CG 4.01Å; A1086-E1089 PolarHBondContact N-OE2 3.32Å; A1086-E1089 WeakPolarHBondContact O-CG 3.18Å
1087	P	91.2	Very high	84.5	Confident	38 Å²	38	35.3 Å²	35.3	25%	0.247	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	149.9	170.6	-23.9	35.2	0	0	0	111.8	E1089 L1116 T1117	P1087-E1089 PolarHBondContact O-N 2.84Å; P1087-E1089 VanDerWaalsContact O-N 3.13Å; P1087-L1116 HydrophobicContact CG-CD2 4.38Å; P1087-T1117 HydrophobicContact CB-CG2 3.68Å; P1087-T1117 HydrophobicContact CG-CG2 3.73Å
1088	G	90.1	Very high	85.6	Confident	12 Å²	12	37.2 Å²	37.2	12%	0.124	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.5	-13.9	172.8	0	0	0	0	0	115	T1090 W1091 D1114 P1148	G1088-T1090 VanDerWaalsContact C-N 3.27Å; G1088-T1090 PolarHBondContact O-N 2.8Å; G1088-W1091 PolarHBondContact O-NE1 2.95Å; G1088-W1091 VanDerWaalsContact O-NE1 3.16Å; G1088-D1114 WeakPolarHBondContact CA-OD1 3.49Å; G1088-D1114 PolarHBondContact N-OD1 2.89Å; G1088-P1148 WeakPolarHBondContact O-CA 3.42Å; G1088-P1148 VanDerWaalsContact O-CB 3.22Å; G1088-P1148 WeakPolarHBondContact O-CB 3.25Å
1089	E	92.3	Very high	86.7	Confident	28 Å²	28	38.9 Å²	38.9	13%	0.131	24%	0.237	C	C	.	.	S	Bend	trans	-64.3	-27.8	-178.3	-65.4	-167.3	108.6	0	0	113.5	P1084 T1085 A1086 P1087 K1149 K1150	P1084-E1089 HydrophobicContact CB-CB 3.7Å; P1084-E1089 HydrophobicContact CB-CG 4.41Å; P1084-E1089 WeakPolarHBondContact CB-OE2 3.49Å; P1084-E1089 HydrophobicContact CG-CB 4.38Å; T1085-E1089 WeakPolarHBondContact CA-OE2 3.42Å; T1085-E1089 PolarHBondContact N-OE2 2.66Å; T1085-E1089 PolarHBondContact OG1-OE2 2.83Å; A1086-E1089 HydrophobicContact CB-CG 4.01Å; A1086-E1089 PolarHBondContact N-OE2 3.32Å; A1086-E1089 WeakPolarHBondContact O-CG 3.18Å; P1087-E1089 PolarHBondContact O-N 2.84Å; P1087-E1089 VanDerWaalsContact O-N 3.13Å; E1089-K1149 HydrophobicContact CB-CD 4.42Å; E1089-K1149 HydrophobicContact CG-CD 4.22Å; E1089-K1149 WeakPolarHBondContact O-CB 3.3Å; E1089-K1149 PolarHBondContact O-N 3.32Å; E1089-K1149 WeakPolarHBondContact OE1-CD 3.33Å; E1089-K1149 WeakPolarHBondContact OE1-CE 3.28Å; E1089-K1149 IonicContact OE1-NZ 3.46Å; E1089-K1149 PolarHBondContact OE1-NZ 3.13Å; E1089-K1150 PolarHBondContact O-N 3.16Å
1090	T	93	Very high	87.8	Confident	21 Å²	21	37.2 Å²	37.2	13%	0.129	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	118.6	-178.8	-63.2	0	0	0	0	111.9	G1088 Y1115 K1150 I1152	G1088-T1090 VanDerWaalsContact C-N 3.27Å; G1088-T1090 PolarHBondContact O-N 2.8Å; T1090-Y1115 HydrophobicContact CG2-CD2 3.98Å; T1090-Y1115 HydrophobicContact CG2-CG 4.21Å; T1090-Y1115 WeakPolarHBondContact O-CB 3.44Å; T1090-Y1115 WeakPolarHBondContact O-CD2 3.32Å; T1090-Y1115 PolarHBondContact O-N 2.73Å; T1090-K1150 WeakPolarHBondContact CA-O 3.28Å; T1090-K1150 HydrophobicContact CG2-CB 4.29Å; T1090-K1150 HydrophobicContact CG2-CD 4.32Å; T1090-K1150 HydrophobicContact CG2-CG 4.42Å; T1090-I1152 HydrophobicContact CG2-CD1 3.81Å; T1090-I1152 HydrophobicContact CG2-CG1 4.32Å
1091	W	93.7	Very high	88.8	Confident	3 Å²	3	39.4 Å²	39.4	1%	0.011	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	152	177.3	-64.5	76.1	0	0	0	111.9	G1088 C1112 V1113 D1114 W1119 E1121 I1141 H1145 K1150 I1151 I1152	G1088-W1091 PolarHBondContact O-NE1 2.95Å; G1088-W1091 VanDerWaalsContact O-NE1 3.16Å; W1091-C1112 HydrophobicContact CE3-CB 4.31Å; W1091-C1112 VanDerWaalsContact CE3-SG 3.6Å; W1091-V1113 CarbonylContact C-O 3.49Å; W1091-V1113 WeakPolarHBondContact CA-O 3.47Å; W1091-D1114 HydrophobicContact CD2-CB 4.26Å; W1091-D1114 HydrophobicContact CE3-CB 4.18Å; W1091-D1114 HydrophobicContact CH2-CB 4.29Å; W1091-D1114 HydrophobicContact CZ2-CB 4.34Å; W1091-D1114 HydrophobicContact CZ3-CB 4.2Å; W1091-W1119 AromaticContact CH2-CD1 3.9Å; W1091-E1121 HydrophobicContact CH2-CG 4.42Å; W1091-E1121 HydrophobicContact CZ3-CG 4.27Å; W1091-I1141 HydrophobicContact CD2-CD1 4.26Å; W1091-I1141 HydrophobicContact CD2-CG2 4.39Å; W1091-I1141 HydrophobicContact CE3-CD1 3.91Å; W1091-I1141 HydrophobicContact CH2-CD1 4.09Å; W1091-I1141 HydrophobicContact CZ2-CD1 4.43Å; W1091-I1141 HydrophobicContact CZ2-CG2 4.3Å; W1091-I1141 HydrophobicContact CZ3-CD1 3.82Å; W1091-H1145 AromaticContact CH2-CD2 3.76Å; W1091-H1145 AromaticContact CH2-CG 3.93Å; W1091-H1145 HydrophobicContact CZ2-CB 3.83Å; W1091-H1145 AromaticContact CZ2-CD2 3.94Å; W1091-H1145 AromaticContact CZ2-CG 3.75Å; W1091-K1150 PolarHBondContact N-O 2.81Å; W1091-I1151 CarbonylContact O-C 3.56Å; W1091-I1151 WeakPolarHBondContact O-CA 3.27Å; W1091-I1152 PolarHBondContact O-N 3.28Å
1092	G	92.1	Very high	89.4	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	135.4	165.2	0	0	0	0	0	110.2	C1112 V1113 I1152 V1189	G1092-C1112 CarbonylContact O-C 3.56Å; G1092-C1112 VanDerWaalsContact O-CA 3.29Å; G1092-C1112 WeakPolarHBondContact O-CA 3.49Å; G1092-V1113 PolarHBondContact N-O 2.94Å; G1092-V1113 PolarHBondContact O-N 2.87Å; G1092-I1152 CarbonylContact C-O 3.58Å; G1092-I1152 WeakPolarHBondContact CA-O 3.23Å; G1092-V1189 VanDerWaalsContact C-CG2 3.44Å; G1092-V1189 WeakPolarHBondContact O-CG2 3.33Å
1093	I	93.9	Very high	89.7	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	144	179.9	-167.3	166.6	0	0	0	111.4	I1110 V1111 C1112 V1133 F1136 L1137 I1151 I1152 F1159 N1186	I1093-I1110 HydrophobicContact CD1-CG2 3.87Å; I1093-I1110 HydrophobicContact CG1-CG2 4.07Å; I1093-V1111 WeakPolarHBondContact CA-O 3.23Å; I1093-C1112 HydrophobicContact CG1-CB 4.45Å; I1093-V1133 HydrophobicContact CD1-CG1 4.22Å; I1093-F1136 HydrophobicContact CD1-CD1 4.03Å; I1093-F1136 HydrophobicContact CD1-CE1 3.96Å; I1093-L1137 HydrophobicContact CD1-CD2 3.97Å; I1093-I1151 HydrophobicContact CB-CG2 4.48Å; I1093-I1151 HydrophobicContact CG2-CG2 3.65Å; I1093-I1152 PolarHBondContact N-O 3.48Å; I1093-F1159 HydrophobicContact CB-CE1 4.43Å; I1093-F1159 HydrophobicContact CD1-CE1 4.08Å; I1093-F1159 HydrophobicContact CG1-CE1 3.99Å; I1093-F1159 HydrophobicContact CG1-CZ 4.12Å; I1093-F1159 HydrophobicContact CG2-CD1 4.24Å; I1093-F1159 HydrophobicContact CG2-CE1 3.65Å; I1093-F1159 HydrophobicContact CG2-CZ 3.94Å; I1093-N1186 PolarHBondContact O-ND2 3.16Å
1094	D	92.8	Very high	89.9	Confident	28 Å²	28	49 Å²	49	15%	0.15	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	172.9	175.3	-162.1	12.7	0	0	0	111.3	V1111 V1189 N1193	D1094-V1111 PolarHBondContact N-O 3.1Å; D1094-V1111 PolarHBondContact O-N 3.11Å; D1094-V1189 HydrophobicContact CB-CB 4.22Å; D1094-V1189 HydrophobicContact CB-CG1 3.52Å; D1094-N1193 PolarHBondContact OD2-ND2 2.88Å
1095	H	91.3	Very high	89.8	Confident	37 Å²	37	50 Å²	50	17%	0.171	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	138.6	173.2	-61.4	84.7	0	0	0	111.4	V1109 T1128 V1133 F1159	H1095-V1109 WeakPolarHBondContact CA-O 3.4Å; H1095-T1128 HydrophobicContact CB-CG2 4.24Å; H1095-T1128 VanDerWaalsContact CD2-CG2 3.46Å; H1095-T1128 WeakPolarHBondContact CD2-CG2 3.38Å; H1095-V1133 WeakPolarHBondContact NE2-CG2 3.35Å; H1095-F1159 AromaticContact CE1-CE1 3.75Å; H1095-F1159 AromaticContact CE1-CE2 3.7Å; H1095-F1159 AromaticContact CE1-CZ 3.27Å; H1095-F1159 WeakPolarHBondContact CE1-CZ 3.35Å; H1095-F1159 AromaticContact ND1-CE2 3.57Å; H1095-F1159 AromaticContact ND1-CZ 3.39Å; H1095-F1159 WeakPolarHBondContact ND1-CZ 3.29Å
1096	L	91.6	Very high	90.1	Very high	21 Å²	21	46.6 Å²	46.6	11%	0.11	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	128.1	175.5	-179.6	60.8	0	0	0	110.5	F1099 H1108 V1109 V1111 N1193 I1196	L1096-F1099 HydrophobicContact CD1-CZ 4.33Å; L1096-F1099 HydrophobicContact CD2-CE2 4.32Å; L1096-F1099 HydrophobicContact CD2-CZ 4.03Å; L1096-F1099 HydrophobicContact CG-CE2 3.88Å; L1096-F1099 HydrophobicContact CG-CZ 3.73Å; L1096-H1108 CarbonylContact O-C 3.54Å; L1096-H1108 WeakPolarHBondContact O-CA 3.3Å; L1096-V1109 HydrophobicContact CB-CB 4.36Å; L1096-V1109 PolarHBondContact N-O 2.76Å; L1096-V1109 PolarHBondContact O-N 2.96Å; L1096-V1111 HydrophobicContact CB-CG2 4.06Å; L1096-N1193 HydrophobicContact CD1-CB 4.15Å; L1096-I1196 HydrophobicContact CD2-CB 3.98Å; L1096-I1196 HydrophobicContact CD2-CG2 3.6Å
1097	G	85.4	Confident	90.3	Very high	40 Å²	40	50.9 Å²	50.9	41%	0.412	26%	0.264	S	S	.	.			trans	138.1	-164.4	-176.8	0	0	0	0	0	112.5
1098	P	87	Confident	90.5	Very high	101 Å²	101	50.8 Å²	50.8	66%	0.656	26%	0.26	S	S	*	.	P	Polyproline II helix	cis	-71.1	140.1	-3.4	28.5	-34.7	0	0	0	112.8	R1107	P1098-R1107 WeakPolarHBondContact CA-O 3.4Å
1099	F	88.5	Confident	90.7	Very high	49 Å²	49	50.2 Å²	50.2	22%	0.215	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-95.7	167.1	167.7	-64.5	-65.3	0	0	0	111.1	L1096 R1107 V1109 L1200 W1211	L1096-F1099 HydrophobicContact CD1-CZ 4.33Å; L1096-F1099 HydrophobicContact CD2-CE2 4.32Å; L1096-F1099 HydrophobicContact CD2-CZ 4.03Å; L1096-F1099 HydrophobicContact CG-CE2 3.88Å; L1096-F1099 HydrophobicContact CG-CZ 3.73Å; F1099-R1107 PolarHBondContact N-O 3.31Å; F1099-V1109 HydrophobicContact CE2-CG2 4.16Å; F1099-L1200 HydrophobicContact CZ-CD1 4.44Å; F1099-W1211 HydrophobicContact CB-CD2 4.27Å; F1099-W1211 HydrophobicContact CB-CZ2 3.89Å; F1099-W1211 HydrophobicContact CD2-CD2 4.27Å; F1099-W1211 HydrophobicContact CD2-CE3 4.27Å; F1099-W1211 HydrophobicContact CD2-CH2 4.27Å; F1099-W1211 HydrophobicContact CD2-CZ2 4.24Å; F1099-W1211 HydrophobicContact CD2-CZ3 4.3Å; F1099-W1211 HydrophobicContact CG-CD2 4.39Å; F1099-W1211 HydrophobicContact CG-CZ2 4.49Å
1100	P	86.5	Confident	90.9	Very high	65 Å²	65	48.9 Å²	48.9	42%	0.422	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-55.9	158	164	-24.3	37.3	0	0	0	111.7	S1102 H1208 W1211	P1100-S1102 PolarHBondContact O-N 2.74Å; P1100-H1208 HydrophobicContact CB-CB 4.3Å; P1100-H1208 HydrophobicContact CG-CB 3.9Å; P1100-W1211 PolarHBondContact O-NE1 2.71Å
1101	L	88.8	Confident	91	Very high	91 Å²	91	47.9 Å²	47.9	48%	0.476	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-63.8	125	-176.8	-145.6	91.9	0	0	0	110.5	R1107	L1101-R1107 HydrophobicContact CD1-CG 3.65Å
1102	S	89.1	Confident	91.1	Very high	7 Å²	7	47.7 Å²	47.7	5%	0.049	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-77.6	164.9	173.4	73.4	0	0	0	0	112	P1100 R1104 G1105 N1106 N1209	P1100-S1102 PolarHBondContact O-N 2.74Å; S1102-R1104 PolarHBondContact O-N 2.94Å; S1102-R1104 VanDerWaalsContact O-N 3.08Å; S1102-G1105 PolarHBondContact O-N 2.96Å; S1102-N1106 PolarHBondContact N-O 2.74Å; S1102-N1106 PolarHBondContact OG-N 2.74Å; S1102-N1209 CarbonylContact C-O 3.57Å; S1102-N1209 WeakPolarHBondContact CA-O 3.5Å
1103	R	86.6	Confident	91.2	Very high	142 Å²	142	47.7 Å²	47.7	54%	0.536	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-25.2	176.4	-49.5	-160	-164.4	124.2	-3.3	113.1	N1209 D1210 E1213	R1103-N1209 VanDerWaalsContact CG-O 3.27Å; R1103-N1209 WeakPolarHBondContact CG-O 3.34Å; R1103-N1209 PolarHBondContact N-O 2.95Å; R1103-D1210 IonicContact NH2-OD2 2.74Å; R1103-E1213 VanDerWaalsContact CD-OE1 3.25Å; R1103-E1213 WeakPolarHBondContact CD-OE1 3.4Å; R1103-E1213 WeakPolarHBondContact CG-OE1 3.39Å; R1103-E1213 IonicContact CZ-OE1 3.37Å; R1103-E1213 IonicContact CZ-OE2 3.01Å; R1103-E1213 IonicContact NE-OE1 3.21Å; R1103-E1213 IonicContact NH1-OE1 3.96Å; R1103-E1213 PolarHBondContact NH1-OE1 2.86Å; R1103-E1213 IonicContact NH1-OE2 3.11Å; R1103-E1213 PolarHBondContact NH1-OE2 2.74Å
1104	R	88.2	Confident	91.2	Very high	197 Å²	197	47.8 Å²	47.8	74%	0.743	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95	19.1	174.8	-57.5	-172.8	-174.7	-171.2	1.7	113.6	S1102 N1106	S1102-R1104 PolarHBondContact O-N 2.94Å; S1102-R1104 VanDerWaalsContact O-N 3.08Å; R1104-N1106 VanDerWaalsContact C-N 3.25Å; R1104-N1106 PolarHBondContact O-N 2.75Å
1105	G	88.7	Confident	91.1	Very high	32 Å²	32	47 Å²	47	33%	0.33	24%	0.237	S	C	.	.	S	Bend	trans	76.1	-2.6	174.8	0	0	0	0	0	116.5	S1102	S1102-G1105 PolarHBondContact O-N 2.96Å
1106	N	93.7	Very high	91.2	Very high	27 Å²	27	45.2 Å²	45.2	14%	0.144	23%	0.229	C	C	.	.			trans	-74.2	157.9	-176.1	-65	-51.5	0	0	0	112.5	S1102 R1104 A1124 V1125 P1126 W1211	S1102-N1106 PolarHBondContact N-O 2.74Å; S1102-N1106 PolarHBondContact OG-N 2.74Å; R1104-N1106 VanDerWaalsContact C-N 3.25Å; R1104-N1106 PolarHBondContact O-N 2.75Å; N1106-A1124 HydrophobicContact CB-CB 3.94Å; N1106-V1125 VanDerWaalsContact OD1-CA 3.24Å; N1106-V1125 WeakPolarHBondContact OD1-CA 3.45Å; N1106-V1125 PolarHBondContact OD1-N 3.2Å; N1106-P1126 WeakPolarHBondContact OD1-CD 3.31Å; N1106-P1126 VanDerWaalsContact OD1-N 3.15Å; N1106-W1211 HydrophobicContact CB-CH2 3.81Å; N1106-W1211 HydrophobicContact CB-CZ2 4.19Å; N1106-W1211 WeakPolarHBondContact O-CZ2 3.08Å
1107	R	92.6	Very high	91.3	Very high	130 Å²	130	44.3 Å²	44.3	49%	0.491	22%	0.224	S	C	.	.			trans	-135.6	-16.1	176.2	-66.5	-172.7	-121.4	-139	-2.9	114.9	P1098 F1099 L1101 V1125	P1098-R1107 WeakPolarHBondContact CA-O 3.4Å; F1099-R1107 PolarHBondContact N-O 3.31Å; L1101-R1107 HydrophobicContact CD1-CG 3.65Å; R1107-V1125 PolarHBondContact N-O 3.01Å
1108	H	94.3	Very high	91.7	Very high	35 Å²	35	43 Å²	43	16%	0.162	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	165.1	-177.7	-51.8	88.5	0	0	0	110.3	L1096 A1124 V1125 P1126 T1128	L1096-H1108 CarbonylContact O-C 3.54Å; L1096-H1108 WeakPolarHBondContact O-CA 3.3Å; H1108-A1124 WeakPolarHBondContact O-CA 3.09Å; H1108-V1125 HydrophobicContact CB-CG2 4.04Å; H1108-V1125 PolarHBondContact N-O 3.38Å; H1108-V1125 PolarHBondContact O-N 3.5Å; H1108-P1126 PolarHBondContact ND1-O 3.15Å; H1108-T1128 HydrophobicContact CB-CG2 4.03Å
1109	V	94.8	Very high	92.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	131.7	170.6	-178.2	0	0	0	0	108.5	H1095 L1096 F1099 V1111 L1122 K1123 W1211 L1215	H1095-V1109 WeakPolarHBondContact CA-O 3.4Å; L1096-V1109 HydrophobicContact CB-CB 4.36Å; L1096-V1109 PolarHBondContact N-O 2.76Å; L1096-V1109 PolarHBondContact O-N 2.96Å; F1099-V1109 HydrophobicContact CE2-CG2 4.16Å; V1109-V1111 HydrophobicContact CB-CG2 4.48Å; V1109-V1111 HydrophobicContact CG1-CG2 3.93Å; V1109-L1122 HydrophobicContact CG1-CB 4.27Å; V1109-L1122 HydrophobicContact CG1-CD2 4.29Å; V1109-K1123 WeakPolarHBondContact CA-O 3.38Å; V1109-W1211 HydrophobicContact CG2-CE3 4.18Å; V1109-W1211 HydrophobicContact CG2-CH2 4.27Å; V1109-W1211 HydrophobicContact CG2-CZ3 3.49Å; V1109-W1211 VanDerWaalsContact CG2-CZ3 3.49Å; V1109-L1215 HydrophobicContact CG1-CD1 4.23Å; V1109-L1215 HydrophobicContact CG2-CD1 3.8Å; V1109-L1215 HydrophobicContact CG2-CD2 4.13Å
1110	I	95.5	Very high	92.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	127.3	164.4	-59.4	169.6	0	0	0	107.1	I1093 K1123 V1125 V1133 F1136	I1093-I1110 HydrophobicContact CD1-CG2 3.87Å; I1093-I1110 HydrophobicContact CG1-CG2 4.07Å; I1110-K1123 PolarHBondContact N-O 2.62Å; I1110-K1123 PolarHBondContact O-N 3.02Å; I1110-K1123 VanDerWaalsContact O-N 3.15Å; I1110-V1125 HydrophobicContact CD1-CG1 3.9Å; I1110-V1125 HydrophobicContact CD1-CG2 4.23Å; I1110-V1125 HydrophobicContact CG1-CG1 4.38Å; I1110-V1125 HydrophobicContact CG1-CG2 3.97Å; I1110-V1133 HydrophobicContact CD1-CG2 4.03Å; I1110-F1136 HydrophobicContact CB-CD1 4.49Å; I1110-F1136 HydrophobicContact CB-CD2 4.38Å; I1110-F1136 HydrophobicContact CB-CG 4.3Å; I1110-F1136 HydrophobicContact CD1-CB 3.86Å; I1110-F1136 HydrophobicContact CD1-CG 4.22Å; I1110-F1136 HydrophobicContact CG2-CD1 3.55Å; I1110-F1136 HydrophobicContact CG2-CD2 4.22Å; I1110-F1136 HydrophobicContact CG2-CE1 3.7Å; I1110-F1136 HydrophobicContact CG2-CE2 4.32Å; I1110-F1136 HydrophobicContact CG2-CG 3.82Å; I1110-F1136 HydrophobicContact CG2-CZ 4.08Å
1111	V	95.5	Very high	92.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	124.4	-177.6	-176.8	0	0	0	0	108.8	I1093 D1094 L1096 V1109 V1113 L1122 V1189 N1193 I1196	I1093-V1111 WeakPolarHBondContact CA-O 3.23Å; D1094-V1111 PolarHBondContact N-O 3.1Å; D1094-V1111 PolarHBondContact O-N 3.11Å; L1096-V1111 HydrophobicContact CB-CG2 4.06Å; V1109-V1111 HydrophobicContact CB-CG2 4.48Å; V1109-V1111 HydrophobicContact CG1-CG2 3.93Å; V1111-V1113 HydrophobicContact CG1-CG2 4.36Å; V1111-L1122 HydrophobicContact CB-CD2 4.21Å; V1111-L1122 HydrophobicContact CG1-CD2 3.88Å; V1111-L1122 HydrophobicContact CG2-CD2 3.87Å; V1111-V1189 HydrophobicContact CB-CG1 4.22Å; V1111-V1189 HydrophobicContact CG1-CG1 3.93Å; V1111-N1193 WeakPolarHBondContact CG2-OD1 3.38Å; V1111-I1196 HydrophobicContact CG1-CD1 3.76Å; V1111-I1196 HydrophobicContact CG2-CD1 3.96Å
1112	C	95.1	Very high	93.3	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	138.1	178.2	-156	0	0	0	0	111.1	W1091 G1092 I1093 V1120 E1121 F1136 I1141	W1091-C1112 HydrophobicContact CE3-CB 4.31Å; W1091-C1112 VanDerWaalsContact CE3-SG 3.6Å; G1092-C1112 CarbonylContact O-C 3.56Å; G1092-C1112 VanDerWaalsContact O-CA 3.29Å; G1092-C1112 WeakPolarHBondContact O-CA 3.49Å; I1093-C1112 HydrophobicContact CG1-CB 4.45Å; C1112-V1120 WeakPolarHBondContact O-CA 3.35Å; C1112-E1121 HydrophobicContact CB-CB 4.4Å; C1112-E1121 PolarHBondContact N-O 2.69Å; C1112-E1121 PolarHBondContact O-N 2.88Å; C1112-F1136 HydrophobicContact CB-CE1 3.6Å; C1112-F1136 HydrophobicContact CB-CZ 3.58Å; C1112-I1141 HydrophobicContact CB-CD1 3.99Å
1113	V	94.7	Very high	93.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	128.9	-174	-170	0	0	0	0	112.2	W1091 G1092 V1111 W1119 V1120 L1188 V1189 M1192	W1091-V1113 CarbonylContact C-O 3.49Å; W1091-V1113 WeakPolarHBondContact CA-O 3.47Å; G1092-V1113 PolarHBondContact N-O 2.94Å; G1092-V1113 PolarHBondContact O-N 2.87Å; V1111-V1113 HydrophobicContact CG1-CG2 4.36Å; V1113-W1119 VanDerWaalsContact CA-O 3.29Å; V1113-W1119 WeakPolarHBondContact CA-O 3.24Å; V1113-V1120 HydrophobicContact CG1-CG2 4.47Å; V1113-V1120 HydrophobicContact CG2-CG1 4.46Å; V1113-V1120 HydrophobicContact CG2-CG2 4.38Å; V1113-L1188 HydrophobicContact CB-CD2 4.48Å; V1113-L1188 HydrophobicContact CG1-CD2 3.95Å; V1113-L1188 HydrophobicContact CG1-CG 4.09Å; V1113-V1189 HydrophobicContact CG2-CG2 4.38Å; V1113-M1192 HydrophobicContact CG1-CE 4.48Å; V1113-M1192 HydrophobicContact CG2-CB 4.18Å; V1113-M1192 HydrophobicContact CG2-CG 4.1Å
1114	D	94.6	Very high	94	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	138.4	173.9	177	76.2	0	0	0	112.4	G1088 W1091 L1116 T1117 K1118 W1119	G1088-D1114 WeakPolarHBondContact CA-OD1 3.49Å; G1088-D1114 PolarHBondContact N-OD1 2.89Å; W1091-D1114 HydrophobicContact CD2-CB 4.26Å; W1091-D1114 HydrophobicContact CE3-CB 4.18Å; W1091-D1114 HydrophobicContact CH2-CB 4.29Å; W1091-D1114 HydrophobicContact CZ2-CB 4.34Å; W1091-D1114 HydrophobicContact CZ3-CB 4.2Å; D1114-L1116 PolarHBondContact O-N 2.77Å; D1114-L1116 WeakPolarHBondContact OD2-CA 3.28Å; D1114-L1116 PolarHBondContact OD2-N 2.68Å; D1114-T1117 PolarHBondContact OD2-N 2.67Å; D1114-T1117 PolarHBondContact OD2-OG1 2.78Å; D1114-K1118 WeakPolarHBondContact O-CA 3.5Å; D1114-K1118 PolarHBondContact O-N 2.64Å; D1114-W1119 HydrophobicContact CB-CB 4.43Å; D1114-W1119 PolarHBondContact N-O 2.83Å
1115	Y	91.5	Very high	94.3	Very high	12 Å²	12	17.6 Å²	17.6	5%	0.047	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-13.2	-175.8	-90.1	-104.1	0	0	0	115.3	I1081 T1090 K1118 I1152 L1188	I1081-Y1115 HydrophobicContact CB-CD1 4.22Å; I1081-Y1115 HydrophobicContact CB-CE1 3.86Å; I1081-Y1115 HydrophobicContact CD1-CE1 3.74Å; I1081-Y1115 HydrophobicContact CG1-CE1 4.43Å; I1081-Y1115 HydrophobicContact CG2-CD1 3.78Å; I1081-Y1115 HydrophobicContact CG2-CE1 3.82Å; T1090-Y1115 HydrophobicContact CG2-CD2 3.98Å; T1090-Y1115 HydrophobicContact CG2-CG 4.21Å; T1090-Y1115 WeakPolarHBondContact O-CB 3.44Å; T1090-Y1115 WeakPolarHBondContact O-CD2 3.32Å; T1090-Y1115 PolarHBondContact O-N 2.73Å; Y1115-K1118 PolarHBondContact O-NZ 2.81Å; Y1115-I1152 HydrophobicContact CE2-CD1 4.37Å; Y1115-L1188 HydrophobicContact CD1-CD2 4.09Å; Y1115-L1188 HydrophobicContact CD2-CD2 4.13Å; Y1115-L1188 HydrophobicContact CE1-CB 4.42Å; Y1115-L1188 HydrophobicContact CE1-CD2 4.12Å; Y1115-L1188 HydrophobicContact CE2-CD2 4.19Å; Y1115-L1188 HydrophobicContact CG-CD2 4.09Å
1116	L	92.7	Very high	94.4	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-63.1	175.1	176	61.6	0	0	0	111.9	P1084 P1087 D1114 K1118 T1230 R1276	P1084-L1116 HydrophobicContact CG-CB 3.96Å; P1087-L1116 HydrophobicContact CG-CD2 4.38Å; D1114-L1116 PolarHBondContact O-N 2.77Å; D1114-L1116 WeakPolarHBondContact OD2-CA 3.28Å; D1114-L1116 PolarHBondContact OD2-N 2.68Å; L1116-K1118 VanDerWaalsContact C-N 3.34Å; L1116-T1230 WeakPolarHBondContact O-CG2 3.36Å; L1116-R1276 HydrophobicContact CD1-CB 3.73Å; L1116-R1276 HydrophobicContact CD1-CG 4.29Å
1117	T	93.8	Very high	94.2	Very high	2 Å²	2	20.1 Å²	20.1	1%	0.012	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-23.5	-173.7	68.1	0	0	0	0	113.1	P1087 D1114 W1119 P1234 L1237 V1238	P1087-T1117 HydrophobicContact CB-CG2 3.68Å; P1087-T1117 HydrophobicContact CG-CG2 3.73Å; D1114-T1117 PolarHBondContact OD2-N 2.67Å; D1114-T1117 PolarHBondContact OD2-OG1 2.78Å; T1117-W1119 WeakPolarHBondContact OG1-CB 3.23Å; T1117-W1119 PolarHBondContact OG1-N 3.13Å; T1117-W1119 VanDerWaalsContact OG1-N 3.11Å; T1117-P1234 WeakPolarHBondContact O-CA 3.18Å; T1117-L1237 HydrophobicContact CG2-CB 3.78Å; T1117-V1238 HydrophobicContact CG2-CG2 4.16Å
1118	K	93.8	Very high	94.1	Very high	12 Å²	12	16.3 Å²	16.3	5%	0.052	9%	0.089	C	C	.	.			trans	65.8	20.8	-169.3	-38.3	-53.8	174.4	-170.9	0	114	D1114 Y1115 L1116 V1120 L1188 Q1227 S1229 T1230 P1234 C1279	D1114-K1118 WeakPolarHBondContact O-CA 3.5Å; D1114-K1118 PolarHBondContact O-N 2.64Å; Y1115-K1118 PolarHBondContact O-NZ 2.81Å; L1116-K1118 VanDerWaalsContact C-N 3.34Å; K1118-V1120 WeakPolarHBondContact O-CG2 3.46Å; K1118-L1188 HydrophobicContact CD-CD1 4.39Å; K1118-L1188 HydrophobicContact CD-CD2 4.44Å; K1118-Q1227 HydrophobicContact CB-CG 4.06Å; K1118-Q1227 HydrophobicContact CG-CB 4.31Å; K1118-Q1227 HydrophobicContact CG-CG 4.35Å; K1118-S1229 WeakPolarHBondContact CE-OG 3.08Å; K1118-T1230 HydrophobicContact CG-CG2 3.95Å; K1118-P1234 HydrophobicContact CB-CG 4.37Å; K1118-C1279 WeakPolarHBondContact CE-SG 3.25Å; K1118-C1279 PolarHBondContact NZ-SG 3.15Å; K1118-C1279 VanDerWaalsContact NZ-SG 3.4Å
1119	W	95.7	Very high	94	Very high	20 Å²	20	17.6 Å²	17.6	8%	0.076	10%	0.099	C	C	.	.			trans	-56.8	137	171.5	-174	-89.2	0	0	0	110.8	W1091 V1113 D1114 T1117 E1121 H1145 N1223 P1234 F1235 V1238 Y1239	W1091-W1119 AromaticContact CH2-CD1 3.9Å; V1113-W1119 VanDerWaalsContact CA-O 3.29Å; V1113-W1119 WeakPolarHBondContact CA-O 3.24Å; D1114-W1119 HydrophobicContact CB-CB 4.43Å; D1114-W1119 PolarHBondContact N-O 2.83Å; T1117-W1119 WeakPolarHBondContact OG1-CB 3.23Å; T1117-W1119 PolarHBondContact OG1-N 3.13Å; T1117-W1119 VanDerWaalsContact OG1-N 3.11Å; W1119-E1121 PolarHBondContact NE1-OE1 3.07Å; W1119-H1145 AromaticContact CD1-CE1 3.6Å; W1119-H1145 AromaticContact CD1-NE2 3.78Å; W1119-H1145 AromaticContact CE2-CE1 3.87Å; W1119-H1145 AromaticContact NE1-CE1 3.33Å; W1119-H1145 PolarHBondContact NE1-CE1 2.97Å; W1119-H1145 VanDerWaalsContact NE1-CE1 3.33Å; W1119-H1145 AromaticContact NE1-NE2 3.43Å; W1119-H1145 PolarHBondContact NE1-NE2 2.95Å; W1119-N1223 WeakPolarHBondContact CA-OD1 3.45Å; W1119-N1223 HydrophobicContact CD2-CB 4.5Å; W1119-N1223 HydrophobicContact CE3-CB 3.94Å; W1119-N1223 HydrophobicContact CH2-CB 4.14Å; W1119-N1223 WeakPolarHBondContact CZ2-ND2 3.35Å; W1119-N1223 HydrophobicContact CZ3-CB 3.74Å; W1119-P1234 HydrophobicContact CB-CB 4.39Å; W1119-P1234 HydrophobicContact CE3-CB 4.06Å; W1119-F1235 HydrophobicContact CH2-CD2 4.14Å; W1119-F1235 HydrophobicContact CZ3-CB 4.3Å; W1119-F1235 AromaticContact CZ3-CD2 3.93Å; W1119-F1235 HydrophobicContact CZ3-CD2 3.93Å; W1119-F1235 HydrophobicContact CZ3-CG 4.45Å; W1119-V1238 HydrophobicContact CB-CG2 4.27Å; W1119-V1238 HydrophobicContact CD2-CG2 4.17Å; W1119-V1238 HydrophobicContact CE3-CB 4.32Å; W1119-V1238 HydrophobicContact CE3-CG2 3.79Å; W1119-V1238 HydrophobicContact CG-CG2 4.39Å; W1119-Y1239 AromaticContact CH2-CE2 3.72Å; W1119-Y1239 HydrophobicContact CH2-CE2 3.72Å; W1119-Y1239 HydrophobicContact CZ3-CD2 4.47Å; W1119-Y1239 AromaticContact CZ3-CE2 3.82Å; W1119-Y1239 HydrophobicContact CZ3-CE2 3.82Å
1120	V	96.2	Very high	93.8	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	132.8	-177.1	-171.7	0	0	0	0	110	C1112 V1113 K1118 L1122 M1192 M1219 L1222 N1223	C1112-V1120 WeakPolarHBondContact O-CA 3.35Å; V1113-V1120 HydrophobicContact CG1-CG2 4.47Å; V1113-V1120 HydrophobicContact CG2-CG1 4.46Å; V1113-V1120 HydrophobicContact CG2-CG2 4.38Å; K1118-V1120 WeakPolarHBondContact O-CG2 3.46Å; V1120-L1122 HydrophobicContact CG1-CD2 3.75Å; V1120-L1122 HydrophobicContact CG1-CG 4.03Å; V1120-M1192 HydrophobicContact CG1-CG 4.28Å; V1120-M1192 HydrophobicContact CG2-CE 3.62Å; V1120-M1192 HydrophobicContact CG2-CG 4.17Å; V1120-M1192 HydrophobicContact CG2-SD 3.93Å; V1120-M1219 WeakPolarHBondContact O-CG 3.43Å; V1120-L1222 HydrophobicContact CG1-CD1 4.36Å; V1120-L1222 HydrophobicContact CG2-CB 4.26Å; V1120-N1223 PolarHBondContact N-OD1 3.18Å; V1120-N1223 PolarHBondContact O-ND2 2.68Å
1121	E	96	Very high	93.6	Very high	3 Å²	3	23.4 Å²	23.4	1%	0.014	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	133.5	168.9	-69.6	-74	156	0	0	109.4	W1091 C1112 W1119 F1136 I1141 R1144 H1145	W1091-E1121 HydrophobicContact CH2-CG 4.42Å; W1091-E1121 HydrophobicContact CZ3-CG 4.27Å; C1112-E1121 HydrophobicContact CB-CB 4.4Å; C1112-E1121 PolarHBondContact N-O 2.69Å; C1112-E1121 PolarHBondContact O-N 2.88Å; W1119-E1121 PolarHBondContact NE1-OE1 3.07Å; E1121-F1136 HydrophobicContact CB-CE2 4.21Å; E1121-F1136 HydrophobicContact CB-CZ 3.88Å; E1121-I1141 HydrophobicContact CB-CD1 4.21Å; E1121-I1141 HydrophobicContact CG-CD1 4Å; E1121-R1144 IonicContact OE1-NH1 2.71Å; E1121-R1144 IonicContact OE2-CZ 3.08Å; E1121-R1144 IonicContact OE2-NH1 3.61Å; E1121-R1144 PolarHBondContact OE2-NH1 3.17Å; E1121-H1145 IonicContact OE1-CD2 3.37Å; E1121-H1145 IonicContact OE1-CE1 3.28Å; E1121-H1145 IonicContact OE1-NE2 3.82Å; E1121-H1145 PolarHBondContact OE1-NE2 2.65Å
1122	L	96.3	Very high	93.4	Very high	19 Å²	19	26.1 Å²	26.1	10%	0.099	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	130.1	-177.8	-56.7	179.7	0	0	0	110.9	V1109 V1111 V1120 I1196 V1218 M1219	V1109-L1122 HydrophobicContact CG1-CB 4.27Å; V1109-L1122 HydrophobicContact CG1-CD2 4.29Å; V1111-L1122 HydrophobicContact CB-CD2 4.21Å; V1111-L1122 HydrophobicContact CG1-CD2 3.88Å; V1111-L1122 HydrophobicContact CG2-CD2 3.87Å; V1120-L1122 HydrophobicContact CG1-CD2 3.75Å; V1120-L1122 HydrophobicContact CG1-CG 4.03Å; L1122-I1196 HydrophobicContact CD1-CD1 4.47Å; L1122-I1196 HydrophobicContact CD2-CD1 3.61Å; L1122-I1196 HydrophobicContact CD2-CG1 4.5Å; L1122-V1218 HydrophobicContact CD1-CB 4.42Å; L1122-V1218 HydrophobicContact CD1-CG1 4.14Å; L1122-M1219 HydrophobicContact CB-SD 4.4Å; L1122-M1219 HydrophobicContact CD1-CB 4.1Å; L1122-M1219 HydrophobicContact CG-CB 4.41Å; L1122-M1219 HydrophobicContact CG-CG 4.47Å
1123	K	94.8	Very high	93.3	Very high	51 Å²	51	26.1 Å²	26.1	22%	0.222	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	124.5	171.9	-171.7	172.4	179	177	0	111.3	V1109 I1110 V1125 F1136 E1139	V1109-K1123 WeakPolarHBondContact CA-O 3.38Å; I1110-K1123 PolarHBondContact N-O 2.62Å; I1110-K1123 PolarHBondContact O-N 3.02Å; I1110-K1123 VanDerWaalsContact O-N 3.15Å; K1123-V1125 HydrophobicContact CG-CG1 4.41Å; K1123-F1136 HydrophobicContact CB-CD2 3.52Å; K1123-F1136 HydrophobicContact CB-CE2 3.9Å; K1123-F1136 HydrophobicContact CD-CB 4.28Å; K1123-F1136 HydrophobicContact CD-CD2 3.91Å; K1123-F1136 HydrophobicContact CG-CD2 4.34Å; K1123-E1139 IonicContact NZ-OE1 3.36Å; K1123-E1139 PolarHBondContact NZ-OE1 2.81Å; K1123-E1139 IonicContact NZ-OE2 2.67Å; K1123-E1139 PolarHBondContact NZ-OE2 2.92Å
1124	A	95.2	Very high	93.3	Very high	22 Å²	22	30.8 Å²	30.8	18%	0.182	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	137.6	171.2	0	0	0	0	0	110.6	N1106 H1108 W1211 L1215	N1106-A1124 HydrophobicContact CB-CB 3.94Å; H1108-A1124 WeakPolarHBondContact O-CA 3.09Å; A1124-W1211 HydrophobicContact CB-CH2 4.24Å; A1124-W1211 HydrophobicContact CB-CZ3 3.97Å; A1124-L1215 HydrophobicContact CB-CD1 3.72Å
1125	V	94	Very high	93.2	Very high	4 Å²	4	32.7 Å²	32.7	2%	0.024	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	152.8	-178.8	-68.7	0	0	0	0	111.6	N1106 R1107 H1108 I1110 K1123 D1127 K1132	N1106-V1125 VanDerWaalsContact OD1-CA 3.24Å; N1106-V1125 WeakPolarHBondContact OD1-CA 3.45Å; N1106-V1125 PolarHBondContact OD1-N 3.2Å; R1107-V1125 PolarHBondContact N-O 3.01Å; H1108-V1125 HydrophobicContact CB-CG2 4.04Å; H1108-V1125 PolarHBondContact N-O 3.38Å; H1108-V1125 PolarHBondContact O-N 3.5Å; I1110-V1125 HydrophobicContact CD1-CG1 3.9Å; I1110-V1125 HydrophobicContact CD1-CG2 4.23Å; I1110-V1125 HydrophobicContact CG1-CG1 4.38Å; I1110-V1125 HydrophobicContact CG1-CG2 3.97Å; K1123-V1125 HydrophobicContact CG-CG1 4.41Å; V1125-D1127 WeakPolarHBondContact CG2-O 3.33Å; V1125-K1132 HydrophobicContact CG1-CB 4.31Å
1126	P	91.8	Very high	93.3	Very high	54 Å²	54	32.1 Å²	32.1	35%	0.351	17%	0.166	S	C	.	.	S	Bend	trans	-71.7	-34.4	178.5	27.7	-33.6	0	0	0	112.4	N1106 H1108	N1106-P1126 WeakPolarHBondContact OD1-CD 3.31Å; N1106-P1126 VanDerWaalsContact OD1-N 3.15Å; H1108-P1126 PolarHBondContact ND1-O 3.15Å
1127	D	90.2	Very high	93.4	Very high	58 Å²	58	32.3 Å²	32.3	31%	0.31	17%	0.167	S	C	.	.	S	Bend	trans	-141	179.7	-175.2	62.2	67.5	0	0	0	111.5	V1125 T1129	V1125-D1127 WeakPolarHBondContact CG2-O 3.33Å; D1127-T1129 WeakPolarHBondContact OD1-CB 3.45Å; D1127-T1129 WeakPolarHBondContact OD1-CG2 3.46Å; D1127-T1129 PolarHBondContact OD1-N 2.85Å; D1127-T1129 PolarHBondContact OD1-OG1 3.27Å
1128	T	89.8	Confident	93.3	Very high	50 Å²	50	35.8 Å²	35.8	31%	0.307	19%	0.188	S	C	.	.			trans	-115	51.2	178.2	68.1	0	0	0	0	110.6	H1095 H1108	H1095-T1128 HydrophobicContact CB-CG2 4.24Å; H1095-T1128 VanDerWaalsContact CD2-CG2 3.46Å; H1095-T1128 WeakPolarHBondContact CD2-CG2 3.38Å; H1108-T1128 HydrophobicContact CB-CG2 4.03Å
1129	T	91.7	Very high	93.2	Very high	62 Å²	62	39.9 Å²	39.9	38%	0.38	21%	0.208	S	C	.	.			trans	-79.3	154.1	175.3	52.2	0	0	0	0	112.5	D1127 E1131 K1132 V1133	D1127-T1129 WeakPolarHBondContact OD1-CB 3.45Å; D1127-T1129 WeakPolarHBondContact OD1-CG2 3.46Å; D1127-T1129 PolarHBondContact OD1-N 2.85Å; D1127-T1129 PolarHBondContact OD1-OG1 3.27Å; T1129-E1131 PolarHBondContact O-N 2.99Å; T1129-K1132 PolarHBondContact O-N 2.75Å; T1129-K1132 WeakPolarHBondContact OG1-CG 3.48Å; T1129-V1133 WeakPolarHBondContact O-CG2 3.47Å; T1129-V1133 PolarHBondContact O-N 3.05Å
1130	A	90.5	Very high	93.1	Very high	15 Å²	15	39.3 Å²	39.3	12%	0.124	21%	0.207	C	C	.	.	H	α-helix	trans	-63.6	-24.7	175.8	0	0	0	0	0	113.2	R1134 A1158 A1161	A1130-R1134 WeakPolarHBondContact O-CG 3.33Å; A1130-R1134 PolarHBondContact O-N 2.94Å; A1130-R1134 VanDerWaalsContact O-N 3.1Å; A1130-A1158 WeakPolarHBondContact CB-O 3.31Å; A1130-A1161 HydrophobicContact CB-CB 3.47Å; A1130-A1161 VanDerWaalsContact CB-CB 3.47Å
1131	E	91	Very high	93	Very high	107 Å²	107	39.4 Å²	39.4	50%	0.5	21%	0.207	S	C	.	.	H	α-helix	trans	-65.2	-57.9	173.4	-170	-173.6	116.3	0	0	110.7	T1129 V1133 R1134 D1135	T1129-E1131 PolarHBondContact O-N 2.99Å; E1131-V1133 PolarHBondContact O-N 3.49Å; E1131-V1133 VanDerWaalsContact O-N 3.1Å; E1131-R1134 CarbonylContact O-C 3.29Å; E1131-R1134 WeakPolarHBondContact O-CA 3.35Å; E1131-R1134 WeakPolarHBondContact O-CB 3.37Å; E1131-R1134 PolarHBondContact O-N 3.18Å; E1131-D1135 PolarHBondContact O-N 3.01Å
1132	K	92.6	Very high	92.8	Very high	57 Å²	57	41 Å²	41	25%	0.248	22%	0.217	C	C	.	.	H	α-helix	trans	-62.3	-24.9	-178.7	-59.1	-70.4	147.7	-107.6	0	113.3	V1125 T1129 D1135 F1136	V1125-K1132 HydrophobicContact CG1-CB 4.31Å; T1129-K1132 PolarHBondContact O-N 2.75Å; T1129-K1132 WeakPolarHBondContact OG1-CG 3.48Å; K1132-D1135 WeakPolarHBondContact CA-OD2 3.3Å; K1132-D1135 WeakPolarHBondContact CD-OD2 3.44Å; K1132-D1135 IonicContact NZ-OD2 3.4Å; K1132-D1135 PolarHBondContact NZ-OD2 3.35Å; K1132-F1136 WeakPolarHBondContact O-CB 3.37Å; K1132-F1136 PolarHBondContact O-N 3.05Å; K1132-F1136 VanDerWaalsContact O-N 3.11Å
1133	V	93.1	Very high	92.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-73.3	-39.7	169.4	176.3	0	0	0	0	112.5	I1093 H1095 I1110 T1129 E1131 L1137 A1158 F1159 M1164	I1093-V1133 HydrophobicContact CD1-CG1 4.22Å; H1095-V1133 WeakPolarHBondContact NE2-CG2 3.35Å; I1110-V1133 HydrophobicContact CD1-CG2 4.03Å; T1129-V1133 WeakPolarHBondContact O-CG2 3.47Å; T1129-V1133 PolarHBondContact O-N 3.05Å; E1131-V1133 PolarHBondContact O-N 3.49Å; E1131-V1133 VanDerWaalsContact O-N 3.1Å; V1133-L1137 WeakPolarHBondContact O-CG 3.37Å; V1133-L1137 PolarHBondContact O-N 2.93Å; V1133-A1158 HydrophobicContact CG2-CB 3.95Å; V1133-F1159 HydrophobicContact CG1-CD1 4.17Å; V1133-F1159 HydrophobicContact CG1-CE1 3.92Å; V1133-F1159 HydrophobicContact CG2-CE1 4.44Å; V1133-M1164 HydrophobicContact CG1-CE 3.68Å; V1133-M1164 HydrophobicContact CG1-SD 3.87Å
1134	R	93.6	Very high	92.4	Very high	97 Å²	97	48.4 Å²	48.4	37%	0.366	26%	0.26	S	S	.	.	H	α-helix	trans	-65.4	-42.1	172.7	-76	168.8	58.8	-119.1	-3.4	111.8	A1130 E1131 L1137 T1138 M1164 A1167	A1130-R1134 WeakPolarHBondContact O-CG 3.33Å; A1130-R1134 PolarHBondContact O-N 2.94Å; A1130-R1134 VanDerWaalsContact O-N 3.1Å; E1131-R1134 CarbonylContact O-C 3.29Å; E1131-R1134 WeakPolarHBondContact O-CA 3.35Å; E1131-R1134 WeakPolarHBondContact O-CB 3.37Å; E1131-R1134 PolarHBondContact O-N 3.18Å; R1134-L1137 PolarHBondContact O-N 2.94Å; R1134-T1138 WeakPolarHBondContact O-CB 3.4Å; R1134-T1138 PolarHBondContact O-N 2.69Å; R1134-T1138 PolarHBondContact O-OG1 2.88Å; R1134-M1164 HydrophobicContact CG-SD 4.15Å; R1134-A1167 HydrophobicContact CG-CB 4Å
1135	D	92.6	Very high	92.2	Very high	42 Å²	42	49.9 Å²	49.9	23%	0.225	26%	0.263	C	S	.	.	H	α-helix	trans	-57	-52.1	175.1	-53.9	-18.1	0	0	0	109.6	E1131 K1132 L1137 T1138 E1139	E1131-D1135 PolarHBondContact O-N 3.01Å; K1132-D1135 WeakPolarHBondContact CA-OD2 3.3Å; K1132-D1135 WeakPolarHBondContact CD-OD2 3.44Å; K1132-D1135 IonicContact NZ-OD2 3.4Å; K1132-D1135 PolarHBondContact NZ-OD2 3.35Å; D1135-L1137 PolarHBondContact O-N 2.8Å; D1135-T1138 PolarHBondContact O-N 2.7Å; D1135-E1139 WeakPolarHBondContact O-CB 3.43Å; D1135-E1139 WeakPolarHBondContact O-CG 3.24Å; D1135-E1139 PolarHBondContact O-N 2.9Å
1136	F	94.2	Very high	92.1	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-57.3	-46.5	175.2	171.8	-95.1	0	0	0	113.6	I1093 I1110 C1112 E1121 K1123 K1132 T1138 C1140 I1141	I1093-F1136 HydrophobicContact CD1-CD1 4.03Å; I1093-F1136 HydrophobicContact CD1-CE1 3.96Å; I1110-F1136 HydrophobicContact CB-CD1 4.49Å; I1110-F1136 HydrophobicContact CB-CD2 4.38Å; I1110-F1136 HydrophobicContact CB-CG 4.3Å; I1110-F1136 HydrophobicContact CD1-CB 3.86Å; I1110-F1136 HydrophobicContact CD1-CG 4.22Å; I1110-F1136 HydrophobicContact CG2-CD1 3.55Å; I1110-F1136 HydrophobicContact CG2-CD2 4.22Å; I1110-F1136 HydrophobicContact CG2-CE1 3.7Å; I1110-F1136 HydrophobicContact CG2-CE2 4.32Å; I1110-F1136 HydrophobicContact CG2-CG 3.82Å; I1110-F1136 HydrophobicContact CG2-CZ 4.08Å; C1112-F1136 HydrophobicContact CB-CE1 3.6Å; C1112-F1136 HydrophobicContact CB-CZ 3.58Å; E1121-F1136 HydrophobicContact CB-CE2 4.21Å; E1121-F1136 HydrophobicContact CB-CZ 3.88Å; K1123-F1136 HydrophobicContact CB-CD2 3.52Å; K1123-F1136 HydrophobicContact CB-CE2 3.9Å; K1123-F1136 HydrophobicContact CD-CB 4.28Å; K1123-F1136 HydrophobicContact CD-CD2 3.91Å; K1123-F1136 HydrophobicContact CG-CD2 4.34Å; K1132-F1136 WeakPolarHBondContact O-CB 3.37Å; K1132-F1136 PolarHBondContact O-N 3.05Å; K1132-F1136 VanDerWaalsContact O-N 3.11Å; F1136-T1138 VanDerWaalsContact C-N 3.27Å; F1136-T1138 PolarHBondContact O-N 3.33Å; F1136-C1140 HydrophobicContact CD2-CB 3.73Å; F1136-C1140 HydrophobicContact CE2-CB 3.61Å; F1136-C1140 HydrophobicContact CG-CB 4.43Å; F1136-C1140 HydrophobicContact CZ-CB 4.2Å; F1136-C1140 WeakPolarHBondContact O-CA 3.4Å; F1136-C1140 VanDerWaalsContact O-CB 3.26Å; F1136-C1140 WeakPolarHBondContact O-CB 3.45Å; F1136-C1140 PolarHBondContact O-N 2.84Å; F1136-I1141 HydrophobicContact CE1-CD1 4.15Å; F1136-I1141 HydrophobicContact CE1-CG1 4.01Å; F1136-I1141 HydrophobicContact CZ-CD1 4.2Å; F1136-I1141 HydrophobicContact CZ-CG1 4.47Å
1137	L	93.8	Very high	92.2	Very high	3 Å²	3	52.8 Å²	52.8	2%	0.016	29%	0.286	C	S	.	.	I	π-helix	trans	-63.8	-34.8	178.7	-74.7	-174.1	0	0	0	112.1	I1093 V1133 R1134 D1135 I1141 V1142 I1151 M1164 L1168	I1093-L1137 HydrophobicContact CD1-CD2 3.97Å; V1133-L1137 WeakPolarHBondContact O-CG 3.37Å; V1133-L1137 PolarHBondContact O-N 2.93Å; R1134-L1137 PolarHBondContact O-N 2.94Å; D1135-L1137 PolarHBondContact O-N 2.8Å; L1137-I1141 HydrophobicContact CD2-CB 4.36Å; L1137-I1141 HydrophobicContact CD2-CG1 3.75Å; L1137-I1141 WeakPolarHBondContact O-CB 3.27Å; L1137-I1141 PolarHBondContact O-N 2.91Å; L1137-V1142 WeakPolarHBondContact O-CG2 3.46Å; L1137-V1142 PolarHBondContact O-N 3.49Å; L1137-I1151 HydrophobicContact CD1-CD1 3.7Å; L1137-I1151 HydrophobicContact CD2-CD1 3.74Å; L1137-I1151 HydrophobicContact CG-CD1 4.39Å; L1137-M1164 HydrophobicContact CD1-CE 3.47Å; L1137-M1164 VanDerWaalsContact CD1-CE 3.47Å; L1137-M1164 HydrophobicContact CD1-SD 4.43Å; L1137-L1168 HydrophobicContact CD1-CD2 3.87Å
1138	T	91.6	Very high	92.3	Very high	75 Å²	75	50.2 Å²	50.2	46%	0.46	27%	0.272	S	S	.	.	I	π-helix	trans	-72.8	-54.4	179.3	-49.2	0	0	0	0	110.7	R1134 D1135 F1136 A1143	R1134-T1138 WeakPolarHBondContact O-CB 3.4Å; R1134-T1138 PolarHBondContact O-N 2.69Å; R1134-T1138 PolarHBondContact O-OG1 2.88Å; D1135-T1138 PolarHBondContact O-N 2.7Å; F1136-T1138 VanDerWaalsContact C-N 3.27Å; F1136-T1138 PolarHBondContact O-N 3.33Å; T1138-A1143 VanDerWaalsContact O-CB 3.32Å; T1138-A1143 WeakPolarHBondContact O-CB 3.16Å; T1138-A1143 PolarHBondContact O-N 2.98Å
1139	E	92.8	Very high	92.5	Very high	98 Å²	98	54.4 Å²	54.4	46%	0.458	29%	0.286	S	S	.	.	I	π-helix	trans	-73	-40.5	-175.4	-65.4	168.6	-129.1	0	0	114.4	K1123 D1135	K1123-E1139 IonicContact NZ-OE1 3.36Å; K1123-E1139 PolarHBondContact NZ-OE1 2.81Å; K1123-E1139 IonicContact NZ-OE2 2.67Å; K1123-E1139 PolarHBondContact NZ-OE2 2.92Å; D1135-E1139 WeakPolarHBondContact O-CB 3.43Å; D1135-E1139 WeakPolarHBondContact O-CG 3.24Å; D1135-E1139 PolarHBondContact O-N 2.9Å
1140	C	93.4	Very high	92.5	Very high	9 Å²	9	55.5 Å²	55.5	6%	0.061	29%	0.286	C	S	.	.	I	π-helix	trans	-106.6	-21.4	-167.1	-52.8	0	0	0	0	113.4	F1136 R1144 H1145	F1136-C1140 HydrophobicContact CD2-CB 3.73Å; F1136-C1140 HydrophobicContact CE2-CB 3.61Å; F1136-C1140 HydrophobicContact CG-CB 4.43Å; F1136-C1140 HydrophobicContact CZ-CB 4.2Å; F1136-C1140 WeakPolarHBondContact O-CA 3.4Å; F1136-C1140 VanDerWaalsContact O-CB 3.26Å; F1136-C1140 WeakPolarHBondContact O-CB 3.45Å; F1136-C1140 PolarHBondContact O-N 2.84Å; C1140-R1144 WeakPolarHBondContact O-CD 3.44Å; C1140-H1145 PolarHBondContact O-CD2 3.3Å
1141	I	94.1	Very high	92.6	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.005	28%	0.281	C	S	.	.	I	π-helix	trans	-105.1	-67.3	174.8	-50.3	-59.7	0	0	0	110.3	W1091 C1112 E1121 F1136 L1137 A1143 R1144 H1145 P1148	W1091-I1141 HydrophobicContact CD2-CD1 4.26Å; W1091-I1141 HydrophobicContact CD2-CG2 4.39Å; W1091-I1141 HydrophobicContact CE3-CD1 3.91Å; W1091-I1141 HydrophobicContact CH2-CD1 4.09Å; W1091-I1141 HydrophobicContact CZ2-CD1 4.43Å; W1091-I1141 HydrophobicContact CZ2-CG2 4.3Å; W1091-I1141 HydrophobicContact CZ3-CD1 3.82Å; C1112-I1141 HydrophobicContact CB-CD1 3.99Å; E1121-I1141 HydrophobicContact CB-CD1 4.21Å; E1121-I1141 HydrophobicContact CG-CD1 4Å; F1136-I1141 HydrophobicContact CE1-CD1 4.15Å; F1136-I1141 HydrophobicContact CE1-CG1 4.01Å; F1136-I1141 HydrophobicContact CZ-CD1 4.2Å; F1136-I1141 HydrophobicContact CZ-CG1 4.47Å; L1137-I1141 HydrophobicContact CD2-CB 4.36Å; L1137-I1141 HydrophobicContact CD2-CG1 3.75Å; L1137-I1141 WeakPolarHBondContact O-CB 3.27Å; L1137-I1141 PolarHBondContact O-N 2.91Å; I1141-A1143 PolarHBondContact O-N 3.01Å; I1141-R1144 PolarHBondContact O-N 3.07Å; I1141-H1145 WeakPolarHBondContact O-CB 3.27Å; I1141-H1145 PolarHBondContact O-N 3.34Å; I1141-P1148 HydrophobicContact CG2-CG 4.22Å
1142	V	92.4	Very high	92.6	Very high	36 Å²	36	50.1 Å²	50.1	22%	0.218	26%	0.259	C	S	.	.	I	π-helix	trans	-63.1	-48	-171.5	175.4	0	0	0	0	112.2	L1137 R1144 G1146 V1147 M1171	L1137-V1142 WeakPolarHBondContact O-CG2 3.46Å; L1137-V1142 PolarHBondContact O-N 3.49Å; V1142-R1144 VanDerWaalsContact C-N 3.26Å; V1142-R1144 PolarHBondContact O-N 3.06Å; V1142-G1146 VanDerWaalsContact O-CA 3.32Å; V1142-G1146 WeakPolarHBondContact O-CA 3.35Å; V1142-G1146 PolarHBondContact O-N 3.41Å; V1142-G1146 VanDerWaalsContact O-N 3.08Å; V1142-V1147 HydrophobicContact CG1-CG2 3.92Å; V1142-M1171 HydrophobicContact CG2-SD 3.95Å
1143	A	91	Very high	92.4	Very high	81 Å²	81	47.4 Å²	47.4	67%	0.669	25%	0.247	S	C	*	.	H	α-helix	trans	-72	-12.6	-179.2	0	0	0	0	0	114.9	T1138 I1141	T1138-A1143 VanDerWaalsContact O-CB 3.32Å; T1138-A1143 WeakPolarHBondContact O-CB 3.16Å; T1138-A1143 PolarHBondContact O-N 2.98Å; I1141-A1143 PolarHBondContact O-N 3.01Å
1144	R	91	Very high	91.9	Very high	145 Å²	145	50.5 Å²	50.5	55%	0.547	26%	0.263	S	S	.	.	H	α-helix	trans	-108.6	-39.2	-179	-68.3	-174.3	177.7	-176.8	-9.3	113.9	E1121 C1140 I1141 V1142	E1121-R1144 IonicContact OE1-NH1 2.71Å; E1121-R1144 IonicContact OE2-CZ 3.08Å; E1121-R1144 IonicContact OE2-NH1 3.61Å; E1121-R1144 PolarHBondContact OE2-NH1 3.17Å; C1140-R1144 WeakPolarHBondContact O-CD 3.44Å; I1141-R1144 PolarHBondContact O-N 3.07Å; V1142-R1144 VanDerWaalsContact C-N 3.26Å; V1142-R1144 PolarHBondContact O-N 3.06Å
1145	H	91.9	Very high	91.2	Very high	53 Å²	53	50 Å²	50	25%	0.245	26%	0.262	C	S	.	.	H	α-helix	trans	-123.3	-1.6	-168.4	-57.2	-78.8	0	0	0	113.2	W1091 W1119 E1121 C1140 I1141	W1091-H1145 AromaticContact CH2-CD2 3.76Å; W1091-H1145 AromaticContact CH2-CG 3.93Å; W1091-H1145 HydrophobicContact CZ2-CB 3.83Å; W1091-H1145 AromaticContact CZ2-CD2 3.94Å; W1091-H1145 AromaticContact CZ2-CG 3.75Å; W1119-H1145 AromaticContact CD1-CE1 3.6Å; W1119-H1145 AromaticContact CD1-NE2 3.78Å; W1119-H1145 AromaticContact CE2-CE1 3.87Å; W1119-H1145 AromaticContact NE1-CE1 3.33Å; W1119-H1145 PolarHBondContact NE1-CE1 2.97Å; W1119-H1145 VanDerWaalsContact NE1-CE1 3.33Å; W1119-H1145 AromaticContact NE1-NE2 3.43Å; W1119-H1145 PolarHBondContact NE1-NE2 2.95Å; E1121-H1145 IonicContact OE1-CD2 3.37Å; E1121-H1145 IonicContact OE1-CE1 3.28Å; E1121-H1145 IonicContact OE1-NE2 3.82Å; E1121-H1145 PolarHBondContact OE1-NE2 2.65Å; C1140-H1145 PolarHBondContact O-CD2 3.3Å; I1141-H1145 WeakPolarHBondContact O-CB 3.27Å; I1141-H1145 PolarHBondContact O-N 3.34Å
1146	G	90.8	Very high	90.5	Very high	34 Å²	34	49.1 Å²	49.1	35%	0.351	26%	0.262	S	S	.	.			trans	81.8	178	-174.7	0	0	0	0	0	113.7	V1142 P1148	V1142-G1146 VanDerWaalsContact O-CA 3.32Å; V1142-G1146 WeakPolarHBondContact O-CA 3.35Å; V1142-G1146 PolarHBondContact O-N 3.41Å; V1142-G1146 VanDerWaalsContact O-N 3.08Å; G1146-P1148 WeakPolarHBondContact O-CD 3.47Å
1147	V	93.7	Very high	89.8	Confident	86 Å²	86	53.6 Å²	53.6	52%	0.521	29%	0.29	S	S	.	.			trans	-75	119.3	-176.6	-179.2	0	0	0	0	110.6	V1142 M1171 I1173	V1142-V1147 HydrophobicContact CG1-CG2 3.92Å; V1147-M1171 HydrophobicContact CG1-CB 4.42Å; V1147-M1171 VanDerWaalsContact CG1-O 3.23Å; V1147-M1171 WeakPolarHBondContact CG1-O 3.45Å; V1147-I1173 HydrophobicContact CG1-CD1 4.37Å; V1147-I1173 HydrophobicContact CG1-CG1 3.97Å
1148	P	93.7	Very high	89.4	Confident	3 Å²	3	53.6 Å²	53.6	2%	0.019	29%	0.29	C	S	.	.			trans	-79.4	139.7	-178.1	32.3	-35.4	0	0	0	111.8	G1088 I1141 G1146 K1150 I1151 I1173	G1088-P1148 WeakPolarHBondContact O-CA 3.42Å; G1088-P1148 VanDerWaalsContact O-CB 3.22Å; G1088-P1148 WeakPolarHBondContact O-CB 3.25Å; I1141-P1148 HydrophobicContact CG2-CG 4.22Å; G1146-P1148 WeakPolarHBondContact O-CD 3.47Å; P1148-K1150 PolarHBondContact O-N 3.35Å; P1148-I1151 HydrophobicContact CG-CD1 4.08Å; P1148-I1151 HydrophobicContact CG-CG1 4.06Å; P1148-I1173 HydrophobicContact CG-CD1 3.95Å; P1148-I1173 HydrophobicContact CG-CG1 4.31Å; P1148-I1173 HydrophobicContact CG-CG2 4.24Å; P1148-I1173 WeakPolarHBondContact O-CG1 3.36Å
1149	K	92.9	Very high	89.3	Confident	138 Å²	138	50.1 Å²	50.1	60%	0.6	27%	0.269	S	S	*	.	S	Bend	trans	-64.2	-29.4	176	-62.1	179.5	-179	172.9	0	112.4	E1089 A1174	E1089-K1149 HydrophobicContact CB-CD 4.42Å; E1089-K1149 HydrophobicContact CG-CD 4.22Å; E1089-K1149 WeakPolarHBondContact O-CB 3.3Å; E1089-K1149 PolarHBondContact O-N 3.32Å; E1089-K1149 WeakPolarHBondContact OE1-CD 3.33Å; E1089-K1149 WeakPolarHBondContact OE1-CE 3.28Å; E1089-K1149 IonicContact OE1-NZ 3.46Å; E1089-K1149 PolarHBondContact OE1-NZ 3.13Å; K1149-A1174 WeakPolarHBondContact O-CB 3.38Å; K1149-A1174 PolarHBondContact O-N 2.92Å
1150	K	92.2	Very high	88.9	Confident	86 Å²	86	48.9 Å²	48.9	37%	0.374	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	141.1	-176.1	-169.6	175.7	-176.1	173.5	0	113.6	E1089 T1090 W1091 P1148 I1152 A1174	E1089-K1150 PolarHBondContact O-N 3.16Å; T1090-K1150 WeakPolarHBondContact CA-O 3.28Å; T1090-K1150 HydrophobicContact CG2-CB 4.29Å; T1090-K1150 HydrophobicContact CG2-CD 4.32Å; T1090-K1150 HydrophobicContact CG2-CG 4.42Å; W1091-K1150 PolarHBondContact N-O 2.81Å; P1148-K1150 PolarHBondContact O-N 3.35Å; K1150-I1152 HydrophobicContact CD-CG1 4.46Å; K1150-I1152 HydrophobicContact CG-CG1 4.38Å; K1150-A1174 CarbonylContact C-O 3.58Å; K1150-A1174 VanDerWaalsContact CA-O 3.27Å; K1150-A1174 WeakPolarHBondContact CA-O 3.32Å; K1150-A1174 HydrophobicContact CB-CB 4.46Å; K1150-A1174 HydrophobicContact CG-CB 4.34Å; K1150-A1174 WeakPolarHBondContact CG-O 3.22Å
1151	I	92.3	Very high	88.6	Confident	2 Å²	2	49.6 Å²	49.6	1%	0.01	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	136.8	168	-67.2	176.5	0	0	0	109.3	W1091 I1093 L1137 P1148 L1168 I1173 A1174 G1176	W1091-I1151 CarbonylContact O-C 3.56Å; W1091-I1151 WeakPolarHBondContact O-CA 3.27Å; I1093-I1151 HydrophobicContact CB-CG2 4.48Å; I1093-I1151 HydrophobicContact CG2-CG2 3.65Å; L1137-I1151 HydrophobicContact CD1-CD1 3.7Å; L1137-I1151 HydrophobicContact CD2-CD1 3.74Å; L1137-I1151 HydrophobicContact CG-CD1 4.39Å; P1148-I1151 HydrophobicContact CG-CD1 4.08Å; P1148-I1151 HydrophobicContact CG-CG1 4.06Å; I1151-L1168 HydrophobicContact CD1-CD2 4.02Å; I1151-I1173 HydrophobicContact CB-CG2 4.21Å; I1151-I1173 HydrophobicContact CD1-CD1 4.38Å; I1151-I1173 HydrophobicContact CD1-CG2 3.87Å; I1151-I1173 HydrophobicContact CG1-CG2 3.74Å; I1151-A1174 PolarHBondContact N-O 2.88Å; I1151-G1176 PolarHBondContact O-N 2.9Å
1152	I	90.1	Very high	88.2	Confident	7 Å²	7	54.2 Å²	54.2	4%	0.036	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	130.8	179.1	-62.1	177	0	0	0	108.9	I1081 T1090 W1091 G1092 I1093 Y1115 K1150 G1176 V1178	I1081-I1152 HydrophobicContact CD1-CD1 3.67Å; I1081-I1152 HydrophobicContact CG1-CD1 4.4Å; I1081-I1152 HydrophobicContact CG2-CD1 4.28Å; T1090-I1152 HydrophobicContact CG2-CD1 3.81Å; T1090-I1152 HydrophobicContact CG2-CG1 4.32Å; W1091-I1152 PolarHBondContact O-N 3.28Å; G1092-I1152 CarbonylContact C-O 3.58Å; G1092-I1152 WeakPolarHBondContact CA-O 3.23Å; I1093-I1152 PolarHBondContact N-O 3.48Å; Y1115-I1152 HydrophobicContact CE2-CD1 4.37Å; K1150-I1152 HydrophobicContact CD-CG1 4.46Å; K1150-I1152 HydrophobicContact CG-CG1 4.38Å; I1152-G1176 WeakPolarHBondContact CA-O 3.47Å; I1152-V1178 HydrophobicContact CG2-CG2 3.98Å
1153	S	89.9	Confident	88.1	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	171.2	-178.9	74	0	0	0	0	111.9	H1175 G1176 V1178	S1153-H1175 PolarHBondContact OG-NE2 2.86Å; S1153-G1176 PolarHBondContact N-O 3.08Å; S1153-V1178 WeakPolarHBondContact O-CB 3.49Å; S1153-V1178 WeakPolarHBondContact O-CG2 3.18Å; S1153-V1178 PolarHBondContact O-N 2.83Å
1154	D	82.8	Confident	88	Confident	65 Å²	65	51.4 Å²	51.4	35%	0.348	27%	0.273	S	S	.	.			trans	-73.6	-165.1	162.1	106.9	-57	0	0	0	111.1	G1156 F1159	D1154-G1156 WeakPolarHBondContact OD1-CA 3.45Å; D1154-G1156 PolarHBondContact OD1-N 3.15Å; D1154-G1156 PolarHBondContact OD2-N 2.68Å; D1154-G1156 VanDerWaalsContact OD2-N 3.08Å; D1154-F1159 WeakPolarHBondContact OD1-CD2 3.22Å
1155	R	78.6	Confident	87.9	Confident	87 Å²	87	51.1 Å²	51.1	33%	0.328	27%	0.272	S	S	.	.			trans	-110.3	36.5	174.2	-68.9	177.6	-174	169.2	5.1	112.6	T1160 M1177 V1178 S1354 T1356	R1155-T1160 HydrophobicContact CB-CG2 4.04Å; R1155-T1160 HydrophobicContact CG-CG2 4.4Å; R1155-M1177 HydrophobicContact CG-CB 4.01Å; R1155-M1177 HydrophobicContact CG-CG 4.42Å; R1155-M1177 HydrophobicContact CG-SD 4.39Å; R1155-M1177 PolarHBondContact NH2-O 2.71Å; R1155-V1178 WeakPolarHBondContact CD-O 3.29Å; R1155-V1178 WeakPolarHBondContact CG-O 3.1Å; R1155-V1178 PolarHBondContact NE-O 3.21Å; R1155-V1178 VanDerWaalsContact NE-O 3.08Å; R1155-S1354 PolarHBondContact NH1-OG 2.9Å; R1155-T1356 PolarHBondContact NH1-OG1 3.07Å
1156	G	77.2	Confident	87.7	Confident	23 Å²	23	53.3 Å²	53.3	24%	0.237	28%	0.284	C	S	.	.			trans	-61.7	149.8	167.4	0	0	0	0	0	111.5	D1154 A1158 F1159 T1160	D1154-G1156 WeakPolarHBondContact OD1-CA 3.45Å; D1154-G1156 PolarHBondContact OD1-N 3.15Å; D1154-G1156 PolarHBondContact OD2-N 2.68Å; D1154-G1156 VanDerWaalsContact OD2-N 3.08Å; G1156-A1158 PolarHBondContact O-N 3.37Å; G1156-A1158 VanDerWaalsContact O-N 3.15Å; G1156-F1159 PolarHBondContact O-N 2.62Å; G1156-T1160 PolarHBondContact O-N 2.91Å; G1156-T1160 VanDerWaalsContact O-N 3.15Å; G1156-T1160 PolarHBondContact O-OG1 3.26Å
1157	T	80.2	Confident	87.5	Confident	94 Å²	94	52.2 Å²	52.2	58%	0.577	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-27	-168.1	39.8	0	0	0	0	114.4	T1160 A1161	T1157-T1160 PolarHBondContact O-OG1 3.28Å; T1157-A1161 PolarHBondContact O-N 3.01Å
1158	A	85.9	Confident	87.4	Confident	3 Å²	3	48.3 Å²	48.3	3%	0.025	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-45.1	173.1	0	0	0	0	0	112.1	A1130 V1133 G1156 A1161 M1164	A1130-A1158 WeakPolarHBondContact CB-O 3.31Å; V1133-A1158 HydrophobicContact CG2-CB 3.95Å; G1156-A1158 PolarHBondContact O-N 3.37Å; G1156-A1158 VanDerWaalsContact O-N 3.15Å; A1158-A1161 WeakPolarHBondContact O-CB 3.21Å; A1158-A1161 PolarHBondContact O-N 3.2Å; A1158-M1164 WeakPolarHBondContact O-CB 3.38Å
1159	F	87.6	Confident	87.2	Confident	2 Å²	2	51.8 Å²	51.8	1%	0.009	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-26.8	-177.8	-51.9	-52.7	0	0	0	112.7	I1093 H1095 V1133 D1154 G1156 M1164 H1175	I1093-F1159 HydrophobicContact CB-CE1 4.43Å; I1093-F1159 HydrophobicContact CD1-CE1 4.08Å; I1093-F1159 HydrophobicContact CG1-CE1 3.99Å; I1093-F1159 HydrophobicContact CG1-CZ 4.12Å; I1093-F1159 HydrophobicContact CG2-CD1 4.24Å; I1093-F1159 HydrophobicContact CG2-CE1 3.65Å; I1093-F1159 HydrophobicContact CG2-CZ 3.94Å; H1095-F1159 AromaticContact CE1-CE1 3.75Å; H1095-F1159 AromaticContact CE1-CE2 3.7Å; H1095-F1159 AromaticContact CE1-CZ 3.27Å; H1095-F1159 WeakPolarHBondContact CE1-CZ 3.35Å; H1095-F1159 AromaticContact ND1-CE2 3.57Å; H1095-F1159 AromaticContact ND1-CZ 3.39Å; H1095-F1159 WeakPolarHBondContact ND1-CZ 3.29Å; V1133-F1159 HydrophobicContact CG1-CD1 4.17Å; V1133-F1159 HydrophobicContact CG1-CE1 3.92Å; V1133-F1159 HydrophobicContact CG2-CE1 4.44Å; D1154-F1159 WeakPolarHBondContact OD1-CD2 3.22Å; G1156-F1159 PolarHBondContact O-N 2.62Å; F1159-M1164 HydrophobicContact CD1-CE 4.28Å; F1159-H1175 PolarHBondContact O-CE1 3.32Å; F1159-H1175 VanDerWaalsContact O-CE1 3.32Å
1160	T	85.1	Confident	86.9	Confident	72 Å²	72	49.9 Å²	49.9	44%	0.442	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	6.8	177.3	64.5	0	0	0	0	113.9	R1155 G1156 T1157 M1177	R1155-T1160 HydrophobicContact CB-CG2 4.04Å; R1155-T1160 HydrophobicContact CG-CG2 4.4Å; G1156-T1160 PolarHBondContact O-N 2.91Å; G1156-T1160 VanDerWaalsContact O-N 3.15Å; G1156-T1160 PolarHBondContact O-OG1 3.26Å; T1157-T1160 PolarHBondContact O-OG1 3.28Å; T1160-M1177 HydrophobicContact CG2-SD 4.08Å
1161	A	86.9	Confident	86.8	Confident	24 Å²	24	47.9 Å²	47.9	20%	0.198	27%	0.269	C	S	.	.			trans	-75.3	146.1	-178.7	0	0	0	0	0	111.9	A1130 T1157 A1158 S1163 M1164 R1165	A1130-A1161 HydrophobicContact CB-CB 3.47Å; A1130-A1161 VanDerWaalsContact CB-CB 3.47Å; T1157-A1161 PolarHBondContact O-N 3.01Å; A1158-A1161 WeakPolarHBondContact O-CB 3.21Å; A1158-A1161 PolarHBondContact O-N 3.2Å; A1161-S1163 VanDerWaalsContact C-N 3.32Å; A1161-S1163 PolarHBondContact O-N 3.21Å; A1161-M1164 HydrophobicContact CB-CB 4.26Å; A1161-M1164 WeakPolarHBondContact O-CB 3.5Å; A1161-M1164 PolarHBondContact O-N 2.67Å; A1161-M1164 VanDerWaalsContact O-N 3.07Å; A1161-R1165 PolarHBondContact O-N 2.87Å
1162	E	86.2	Confident	86.7	Confident	97 Å²	97	53 Å²	53	45%	0.453	31%	0.306	S	S	.	.	H	α-helix	trans	-63.8	-37.7	179.8	-177.2	57.5	-163.5	0	0	112.2	M1164 R1165 L1166	E1162-M1164 VanDerWaalsContact C-N 3.27Å; E1162-M1164 PolarHBondContact O-N 3.08Å; E1162-R1165 WeakPolarHBondContact O-CB 3.45Å; E1162-R1165 PolarHBondContact O-N 2.62Å; E1162-R1165 VanDerWaalsContact O-N 3.16Å; E1162-R1165 IonicContact OE1-CZ 2.77Å; E1162-R1165 VanDerWaalsContact OE1-CZ 3.3Å; E1162-R1165 IonicContact OE1-NE 2.68Å; E1162-R1165 PolarHBondContact OE1-NE 2.83Å; E1162-R1165 IonicContact OE1-NH2 3.6Å; E1162-R1165 PolarHBondContact OE1-NH2 2.95Å; E1162-R1165 IonicContact OE2-CZ 2.78Å; E1162-R1165 IonicContact OE2-NE 3.84Å; E1162-R1165 PolarHBondContact OE2-NE 2.92Å; E1162-R1165 IonicContact OE2-NH2 2.94Å; E1162-L1166 HydrophobicContact CG-CD1 4.19Å; E1162-L1166 HydrophobicContact CG-CG 4.49Å; E1162-L1166 WeakPolarHBondContact O-CG 3.38Å; E1162-L1166 PolarHBondContact O-N 3.04Å
1163	S	89.1	Confident	86.8	Confident	57 Å²	57	53.2 Å²	53.2	40%	0.399	31%	0.306	S	S	.	.	H	α-helix	trans	-62.7	-31.6	173.3	51.9	0	0	0	0	113.3	A1161 A1167	A1161-S1163 VanDerWaalsContact C-N 3.32Å; A1161-S1163 PolarHBondContact O-N 3.21Å; S1163-A1167 VanDerWaalsContact O-CB 3.3Å; S1163-A1167 WeakPolarHBondContact O-CB 3.27Å; S1163-A1167 PolarHBondContact O-N 3.14Å; S1163-A1167 VanDerWaalsContact O-N 3.13Å
1164	M	89.5	Confident	86.8	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-71	-45.1	171.9	-173.8	76.2	176.3	0	0	110.6	V1133 R1134 L1137 A1158 F1159 A1161 E1162 L1166 A1167 L1168	V1133-M1164 HydrophobicContact CG1-CE 3.68Å; V1133-M1164 HydrophobicContact CG1-SD 3.87Å; R1134-M1164 HydrophobicContact CG-SD 4.15Å; L1137-M1164 HydrophobicContact CD1-CE 3.47Å; L1137-M1164 VanDerWaalsContact CD1-CE 3.47Å; L1137-M1164 HydrophobicContact CD1-SD 4.43Å; A1158-M1164 WeakPolarHBondContact O-CB 3.38Å; F1159-M1164 HydrophobicContact CD1-CE 4.28Å; A1161-M1164 HydrophobicContact CB-CB 4.26Å; A1161-M1164 WeakPolarHBondContact O-CB 3.5Å; A1161-M1164 PolarHBondContact O-N 2.67Å; A1161-M1164 VanDerWaalsContact O-N 3.07Å; E1162-M1164 VanDerWaalsContact C-N 3.27Å; E1162-M1164 PolarHBondContact O-N 3.08Å; M1164-L1166 PolarHBondContact O-N 3.45Å; M1164-A1167 PolarHBondContact O-N 3.1Å; M1164-L1168 HydrophobicContact CE-CD1 4.07Å; M1164-L1168 HydrophobicContact CE-CD2 4.28Å; M1164-L1168 HydrophobicContact CE-CG 4.28Å; M1164-L1168 HydrophobicContact CG-CD1 4.38Å; M1164-L1168 WeakPolarHBondContact O-CG 3.37Å; M1164-L1168 PolarHBondContact O-N 2.96Å
1165	R	88.9	Confident	87.1	Confident	140 Å²	140	55.1 Å²	55.1	53%	0.528	32%	0.322	S	S	.	.	H	α-helix	trans	-57.3	-47.8	177.1	-170	-179.1	77.6	92.5	-2.4	111.4	A1161 E1162 S1169	A1161-R1165 PolarHBondContact O-N 2.87Å; E1162-R1165 WeakPolarHBondContact O-CB 3.45Å; E1162-R1165 PolarHBondContact O-N 2.62Å; E1162-R1165 VanDerWaalsContact O-N 3.16Å; E1162-R1165 IonicContact OE1-CZ 2.77Å; E1162-R1165 VanDerWaalsContact OE1-CZ 3.3Å; E1162-R1165 IonicContact OE1-NE 2.68Å; E1162-R1165 PolarHBondContact OE1-NE 2.83Å; E1162-R1165 IonicContact OE1-NH2 3.6Å; E1162-R1165 PolarHBondContact OE1-NH2 2.95Å; E1162-R1165 IonicContact OE2-CZ 2.78Å; E1162-R1165 IonicContact OE2-NE 3.84Å; E1162-R1165 PolarHBondContact OE2-NE 2.92Å; E1162-R1165 IonicContact OE2-NH2 2.94Å; R1165-S1169 WeakPolarHBondContact O-CB 3.33Å; R1165-S1169 PolarHBondContact O-N 3.25Å; R1165-S1169 PolarHBondContact O-OG 3.19Å
1166	L	87.6	Confident	87.3	Confident	98 Å²	98	52 Å²	52	51%	0.513	32%	0.317	S	S	.	.	H	α-helix	trans	-63.1	-45.5	177.9	-67.9	170.7	0	0	0	111.8	E1162 M1164 L1168 S1169 S1170	E1162-L1166 HydrophobicContact CG-CD1 4.19Å; E1162-L1166 HydrophobicContact CG-CG 4.49Å; E1162-L1166 WeakPolarHBondContact O-CG 3.38Å; E1162-L1166 PolarHBondContact O-N 3.04Å; M1164-L1166 PolarHBondContact O-N 3.45Å; L1166-L1168 PolarHBondContact O-N 2.83Å; L1166-S1169 PolarHBondContact O-N 3.43Å; L1166-S1170 PolarHBondContact O-N 2.84Å; L1166-S1170 PolarHBondContact O-OG 2.89Å
1167	A	88	Confident	87.3	Confident	12 Å²	12	54.6 Å²	54.6	10%	0.099	32%	0.324	C	S	.	.	H	α-helix	trans	-64	-39.9	179.6	0	0	0	0	0	113.2	R1134 S1163 M1164 S1170 M1171	R1134-A1167 HydrophobicContact CG-CB 4Å; S1163-A1167 VanDerWaalsContact O-CB 3.3Å; S1163-A1167 WeakPolarHBondContact O-CB 3.27Å; S1163-A1167 PolarHBondContact O-N 3.14Å; S1163-A1167 VanDerWaalsContact O-N 3.13Å; M1164-A1167 PolarHBondContact O-N 3.1Å; A1167-S1170 WeakPolarHBondContact CA-OG 3.24Å; A1167-S1170 PolarHBondContact O-OG 3.39Å; A1167-M1171 HydrophobicContact CB-CE 4.45Å; A1167-M1171 WeakPolarHBondContact O-CE 3.32Å; A1167-M1171 WeakPolarHBondContact O-CG 3.5Å; A1167-M1171 PolarHBondContact O-N 3.1Å
1168	L	91.5	Very high	86.6	Confident	4 Å²	4	51 Å²	51	2%	0.021	30%	0.302	C	S	.	.	H	α-helix	trans	-67.7	-40.6	174.2	-65.8	-176.8	0	0	0	111.4	L1137 I1151 M1164 L1166 M1171 S1172 I1173 H1175	L1137-L1168 HydrophobicContact CD1-CD2 3.87Å; I1151-L1168 HydrophobicContact CD1-CD2 4.02Å; M1164-L1168 HydrophobicContact CE-CD1 4.07Å; M1164-L1168 HydrophobicContact CE-CD2 4.28Å; M1164-L1168 HydrophobicContact CE-CG 4.28Å; M1164-L1168 HydrophobicContact CG-CD1 4.38Å; M1164-L1168 WeakPolarHBondContact O-CG 3.37Å; M1164-L1168 PolarHBondContact O-N 2.96Å; L1166-L1168 PolarHBondContact O-N 2.83Å; L1168-M1171 CarbonylContact O-C 3.57Å; L1168-M1171 PolarHBondContact O-N 3.35Å; L1168-S1172 PolarHBondContact O-N 2.86Å; L1168-S1172 VanDerWaalsContact O-N 3.15Å; L1168-I1173 HydrophobicContact CB-CB 4.31Å; L1168-I1173 HydrophobicContact CD2-CB 4.04Å; L1168-I1173 HydrophobicContact CD2-CD1 3.91Å; L1168-I1173 HydrophobicContact CD2-CG2 4.06Å; L1168-I1173 PolarHBondContact O-N 2.8Å; L1168-H1175 HydrophobicContact CD1-CB 3.75Å
1169	S	88.1	Confident	85.1	Confident	75 Å²	75	51.6 Å²	51.6	52%	0.524	31%	0.306	S	S	.	.	H	α-helix	trans	-62.3	-43	174.6	-70.8	0	0	0	0	113.1	R1165 L1166 M1171 S1172	R1165-S1169 WeakPolarHBondContact O-CB 3.33Å; R1165-S1169 PolarHBondContact O-N 3.25Å; R1165-S1169 PolarHBondContact O-OG 3.19Å; L1166-S1169 PolarHBondContact O-N 3.43Å; S1169-M1171 PolarHBondContact O-N 3.38Å; S1169-S1172 PolarHBondContact O-N 2.93Å
1170	S	88	Confident	83	Confident	98 Å²	98	53.8 Å²	53.8	69%	0.685	32%	0.324	S	S	*	.	H	α-helix	trans	-67.3	-20.8	177.9	56.5	0	0	0	0	113.6	L1166 A1167	L1166-S1170 PolarHBondContact O-N 2.84Å; L1166-S1170 PolarHBondContact O-OG 2.89Å; A1167-S1170 WeakPolarHBondContact CA-OG 3.24Å; A1167-S1170 PolarHBondContact O-OG 3.39Å
1171	M	89.5	Confident	80.9	Confident	45 Å²	45	54.1 Å²	54.1	22%	0.222	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	6.8	173.2	-65.9	-175.3	-77.3	0	0	113.1	V1142 V1147 A1167 L1168 S1169 I1173	V1142-M1171 HydrophobicContact CG2-SD 3.95Å; V1147-M1171 HydrophobicContact CG1-CB 4.42Å; V1147-M1171 VanDerWaalsContact CG1-O 3.23Å; V1147-M1171 WeakPolarHBondContact CG1-O 3.45Å; A1167-M1171 HydrophobicContact CB-CE 4.45Å; A1167-M1171 WeakPolarHBondContact O-CE 3.32Å; A1167-M1171 WeakPolarHBondContact O-CG 3.5Å; A1167-M1171 PolarHBondContact O-N 3.1Å; L1168-M1171 CarbonylContact O-C 3.57Å; L1168-M1171 PolarHBondContact O-N 3.35Å; S1169-M1171 PolarHBondContact O-N 3.38Å; M1171-I1173 HydrophobicContact CB-CD1 3.66Å; M1171-I1173 HydrophobicContact CB-CG1 3.7Å; M1171-I1173 HydrophobicContact CE-CD1 3.92Å; M1171-I1173 PolarHBondContact O-N 2.82Å; M1171-I1173 HydrophobicContact SD-CD1 4.12Å
1172	S	89.8	Confident	79.1	Confident	110 Å²	110	54.1 Å²	54.1	77%	0.769	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	26.1	-175.5	-61.6	0	0	0	0	115.3	L1168 S1169	L1168-S1172 PolarHBondContact O-N 2.86Å; L1168-S1172 VanDerWaalsContact O-N 3.15Å; S1169-S1172 PolarHBondContact O-N 2.93Å
1173	I	91.7	Very high	77.2	Confident	10 Å²	10	52.2 Å²	52.2	5%	0.051	32%	0.32	C	S	.	.			trans	-87.9	121	-176.8	-54.9	174.4	0	0	0	110.4	V1147 P1148 I1151 L1168 M1171 H1175	V1147-I1173 HydrophobicContact CG1-CD1 4.37Å; V1147-I1173 HydrophobicContact CG1-CG1 3.97Å; P1148-I1173 HydrophobicContact CG-CD1 3.95Å; P1148-I1173 HydrophobicContact CG-CG1 4.31Å; P1148-I1173 HydrophobicContact CG-CG2 4.24Å; P1148-I1173 WeakPolarHBondContact O-CG1 3.36Å; I1151-I1173 HydrophobicContact CB-CG2 4.21Å; I1151-I1173 HydrophobicContact CD1-CD1 4.38Å; I1151-I1173 HydrophobicContact CD1-CG2 3.87Å; I1151-I1173 HydrophobicContact CG1-CG2 3.74Å; L1168-I1173 HydrophobicContact CB-CB 4.31Å; L1168-I1173 HydrophobicContact CD2-CB 4.04Å; L1168-I1173 HydrophobicContact CD2-CD1 3.91Å; L1168-I1173 HydrophobicContact CD2-CG2 4.06Å; L1168-I1173 PolarHBondContact O-N 2.8Å; M1171-I1173 HydrophobicContact CB-CD1 3.66Å; M1171-I1173 HydrophobicContact CB-CG1 3.7Å; M1171-I1173 HydrophobicContact CE-CD1 3.92Å; M1171-I1173 PolarHBondContact O-N 2.82Å; M1171-I1173 HydrophobicContact SD-CD1 4.12Å; I1173-H1175 PolarHBondContact O-N 2.94Å
1174	A	89.9	Confident	75.4	Confident	53 Å²	53	53 Å²	53	44%	0.438	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	126.8	176.8	0	0	0	0	0	112.2	K1149 K1150 I1151	K1149-A1174 WeakPolarHBondContact O-CB 3.38Å; K1149-A1174 PolarHBondContact O-N 2.92Å; K1150-A1174 CarbonylContact C-O 3.58Å; K1150-A1174 VanDerWaalsContact CA-O 3.27Å; K1150-A1174 WeakPolarHBondContact CA-O 3.32Å; K1150-A1174 HydrophobicContact CB-CB 4.46Å; K1150-A1174 HydrophobicContact CG-CB 4.34Å; K1150-A1174 WeakPolarHBondContact CG-O 3.22Å; I1151-A1174 PolarHBondContact N-O 2.88Å
1175	H	89.8	Confident	73.8	Confident	52 Å²	52	54.8 Å²	54.8	24%	0.241	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	114.5	-177.2	-169.5	-149.8	0	0	0	113.5	S1153 F1159 L1168 I1173 M1177	S1153-H1175 PolarHBondContact OG-NE2 2.86Å; F1159-H1175 PolarHBondContact O-CE1 3.32Å; F1159-H1175 VanDerWaalsContact O-CE1 3.32Å; L1168-H1175 HydrophobicContact CD1-CB 3.75Å; I1173-H1175 PolarHBondContact O-N 2.94Å; H1175-M1177 WeakPolarHBondContact CE1-CG 3.5Å
1176	G	81.9	Confident	73	Confident	21 Å²	21	48.3 Å²	48.3	22%	0.216	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	85.9	179	0	0	0	0	0	113.5	I1151 I1152 S1153 V1178	I1151-G1176 PolarHBondContact O-N 2.9Å; I1152-G1176 WeakPolarHBondContact CA-O 3.47Å; S1153-G1176 PolarHBondContact N-O 3.08Å; G1176-V1178 PolarHBondContact O-N 3.41Å
1177	M	78.2	Confident	72.2	Confident	79 Å²	79	44.9 Å²	44.9	39%	0.389	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	111.3	177.9	-74.1	177.8	-90.7	0	0	113.8	R1155 T1160 H1175	R1155-M1177 HydrophobicContact CG-CB 4.01Å; R1155-M1177 HydrophobicContact CG-CG 4.42Å; R1155-M1177 HydrophobicContact CG-SD 4.39Å; R1155-M1177 PolarHBondContact NH2-O 2.71Å; T1160-M1177 HydrophobicContact CG2-SD 4.08Å; H1175-M1177 WeakPolarHBondContact CE1-CG 3.5Å
1178	V	66	Low	72	Confident	19 Å²	19	46.2 Å²	46.2	12%	0.115	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-61.5	147.4	176.8	177.4	0	0	0	0	112	I1152 S1153 R1155 G1176 H1182 A1185 N1186	I1152-V1178 HydrophobicContact CG2-CG2 3.98Å; S1153-V1178 WeakPolarHBondContact O-CB 3.49Å; S1153-V1178 WeakPolarHBondContact O-CG2 3.18Å; S1153-V1178 PolarHBondContact O-N 2.83Å; R1155-V1178 WeakPolarHBondContact CD-O 3.29Å; R1155-V1178 WeakPolarHBondContact CG-O 3.1Å; R1155-V1178 PolarHBondContact NE-O 3.21Å; R1155-V1178 VanDerWaalsContact NE-O 3.08Å; G1176-V1178 PolarHBondContact O-N 3.41Å; V1178-H1182 WeakPolarHBondContact CG1-O 3.35Å; V1178-A1185 HydrophobicContact CB-CB 4.48Å; V1178-A1185 HydrophobicContact CG1-CB 3.95Å; V1178-A1185 HydrophobicContact CG2-CB 3.71Å; V1178-N1186 HydrophobicContact CG2-CB 4.36Å
1179	S	53.3	Low	71.8	Confident	14 Å²	14	46 Å²	46	10%	0.098	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-74.7	140.1	-179.6	72.3	0	0	0	0	112.5	C1181 H1182	S1179-C1181 PolarHBondContact O-N 3.4Å; S1179-H1182 PolarHBondContact O-N 2.93Å
1180	A	44.1	Very low	71.4	Confident	49 Å²	49	46.3 Å²	46.3	41%	0.405	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	135	-172.9	0	0	0	0	0	112	H1182 Q1361	A1180-H1182 VanDerWaalsContact C-N 3.26Å; A1180-H1182 PolarHBondContact O-N 3.36Å; A1180-Q1361 PolarHBondContact O-NE2 2.86Å
1181	C	41.9	Very low	71.3	Confident	79 Å²	79	48.4 Å²	48.4	53%	0.534	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.6	20.8	-170.8	-62.3	0	0	0	0	115.4	S1179 P1183	S1179-C1181 PolarHBondContact O-N 3.4Å; C1181-P1183 VanDerWaalsContact C-CD 3.4Å; C1181-P1183 WeakPolarHBondContact O-CD 3.5Å
1182	H	48.9	Very low	71.3	Confident	24 Å²	24	46.8 Å²	46.8	11%	0.111	28%	0.28	C	S	.	.			trans	-118.4	70.9	164.4	-98	-81.8	0	0	0	112.2	V1178 S1179 A1180 Q1184 H1358 S1360 Q1361	V1178-H1182 WeakPolarHBondContact CG1-O 3.35Å; S1179-H1182 PolarHBondContact O-N 2.93Å; A1180-H1182 VanDerWaalsContact C-N 3.26Å; A1180-H1182 PolarHBondContact O-N 3.36Å; H1182-Q1184 PolarHBondContact ND1-OE1 2.82Å; H1182-Q1184 PolarHBondContact O-N 2.88Å; H1182-H1358 WeakPolarHBondContact CD2-CB 3.33Å; H1182-H1358 AromaticContact CD2-CG 3.6Å; H1182-H1358 AromaticContact CD2-ND1 3.78Å; H1182-H1358 AromaticContact CE1-CE1 3.6Å; H1182-H1358 AromaticContact CE1-CG 3.75Å; H1182-H1358 AromaticContact CE1-ND1 3.12Å; H1182-H1358 PolarHBondContact CE1-ND1 3.46Å; H1182-H1358 AromaticContact CG-CG 3.65Å; H1182-H1358 AromaticContact CG-ND1 3.79Å; H1182-H1358 AromaticContact ND1-CE1 3.54Å; H1182-H1358 AromaticContact ND1-CG 3.73Å; H1182-H1358 AromaticContact ND1-ND1 3.38Å; H1182-H1358 PolarHBondContact ND1-ND1 3.27Å; H1182-H1358 AromaticContact ND1-NE2 3.97Å; H1182-H1358 AromaticContact NE2-CG 3.67Å; H1182-H1358 AromaticContact NE2-ND1 3.38Å; H1182-H1358 PolarHBondContact NE2-ND1 2.89Å; H1182-S1360 PolarHBondContact CE1-OG 3.44Å; H1182-S1360 PolarHBondContact NE2-OG 2.85Å; H1182-Q1361 PolarHBondContact CD2-NE2 3.27Å
1183	P	46.5	Very low	71.3	Confident	56 Å²	56	42.2 Å²	42.2	36%	0.364	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-51	-24.9	-177	17.9	-34.2	0	0	0	115.8	C1181 A1185 N1186 G1187 E1190	C1181-P1183 VanDerWaalsContact C-CD 3.4Å; C1181-P1183 WeakPolarHBondContact O-CD 3.5Å; P1183-A1185 PolarHBondContact O-N 3.41Å; P1183-N1186 PolarHBondContact O-N 2.88Å; P1183-G1187 PolarHBondContact O-N 3.44Å; P1183-E1190 VanDerWaalsContact CA-OE1 3.23Å; P1183-E1190 WeakPolarHBondContact CA-OE1 3.31Å; P1183-E1190 VanDerWaalsContact CB-CD 3.41Å; P1183-E1190 WeakPolarHBondContact CB-OE1 3.25Å; P1183-E1190 WeakPolarHBondContact CB-OE2 3.43Å
1184	Q	51.2	Low	71.2	Confident	73 Å²	73	50 Å²	50	34%	0.341	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-63.5	-22.3	-162.3	-53.8	-179.3	-78.3	0	0	114.2	H1182 Y1290	H1182-Q1184 PolarHBondContact ND1-OE1 2.82Å; H1182-Q1184 PolarHBondContact O-N 2.88Å; Q1184-Y1290 VanDerWaalsContact NE2-CE2 3.31Å; Q1184-Y1290 PolarHBondContact NE2-OH 2.75Å; Q1184-Y1290 PolarHBondContact OE1-OH 2.89Å
1185	A	55.3	Low	71.2	Confident	40 Å²	40	50 Å²	50	33%	0.331	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-90.8	-4	176.3	0	0	0	0	0	114.5	I1081 V1178 P1183	I1081-A1185 WeakPolarHBondContact CD1-O 3.3Å; V1178-A1185 HydrophobicContact CB-CB 4.48Å; V1178-A1185 HydrophobicContact CG1-CB 3.95Å; V1178-A1185 HydrophobicContact CG2-CB 3.71Å; P1183-A1185 PolarHBondContact O-N 3.41Å
1186	N	71.8	Confident	71.2	Confident	3 Å²	3	47.5 Å²	47.5	2%	0.016	26%	0.258	C	S	.	.	S	Bend	trans	-116.1	15.8	161.8	-151.2	22.7	0	0	0	112	I1093 V1178 P1183 L1188 V1189 E1190	I1093-N1186 PolarHBondContact O-ND2 3.16Å; V1178-N1186 HydrophobicContact CG2-CB 4.36Å; P1183-N1186 PolarHBondContact O-N 2.88Å; N1186-L1188 PolarHBondContact O-N 3.36Å; N1186-V1189 PolarHBondContact O-N 3.25Å; N1186-V1189 WeakPolarHBondContact OD1-CG2 3.13Å; N1186-E1190 PolarHBondContact O-N 2.98Å
1187	G	71.5	Confident	71.6	Confident	27 Å²	27	48.4 Å²	48.4	28%	0.278	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-3.1	-171.2	0	0	0	0	0	116.3	P1183 R1191	P1183-G1187 PolarHBondContact O-N 3.44Å; G1187-R1191 WeakPolarHBondContact O-CB 3.21Å; G1187-R1191 PolarHBondContact O-N 2.8Å
1188	L	83.2	Confident	71.9	Confident	39 Å²	39	48.9 Å²	48.9	20%	0.204	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-50.3	165.6	179	59.7	0	0	0	110.3	V1113 Y1115 K1118 N1186 R1191 M1192	V1113-L1188 HydrophobicContact CB-CD2 4.48Å; V1113-L1188 HydrophobicContact CG1-CD2 3.95Å; V1113-L1188 HydrophobicContact CG1-CG 4.09Å; Y1115-L1188 HydrophobicContact CD1-CD2 4.09Å; Y1115-L1188 HydrophobicContact CD2-CD2 4.13Å; Y1115-L1188 HydrophobicContact CE1-CB 4.42Å; Y1115-L1188 HydrophobicContact CE1-CD2 4.12Å; Y1115-L1188 HydrophobicContact CE2-CD2 4.19Å; Y1115-L1188 HydrophobicContact CG-CD2 4.09Å; K1118-L1188 HydrophobicContact CD-CD1 4.39Å; K1118-L1188 HydrophobicContact CD-CD2 4.44Å; N1186-L1188 PolarHBondContact O-N 3.36Å; L1188-R1191 PolarHBondContact O-N 3.31Å; L1188-M1192 PolarHBondContact O-N 2.79Å
1189	V	86.9	Confident	72.9	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-70.4	-41.1	179.9	-165	0	0	0	0	110.5	G1092 D1094 V1111 V1113 N1186 R1191 M1192 N1193	G1092-V1189 VanDerWaalsContact C-CG2 3.44Å; G1092-V1189 WeakPolarHBondContact O-CG2 3.33Å; D1094-V1189 HydrophobicContact CB-CB 4.22Å; D1094-V1189 HydrophobicContact CB-CG1 3.52Å; V1111-V1189 HydrophobicContact CB-CG1 4.22Å; V1111-V1189 HydrophobicContact CG1-CG1 3.93Å; V1113-V1189 HydrophobicContact CG2-CG2 4.38Å; N1186-V1189 PolarHBondContact O-N 3.25Å; N1186-V1189 WeakPolarHBondContact OD1-CG2 3.13Å; V1189-R1191 PolarHBondContact O-N 3.02Å; V1189-M1192 CarbonylContact O-C 3.55Å; V1189-M1192 WeakPolarHBondContact O-CA 3.47Å; V1189-M1192 WeakPolarHBondContact O-CB 3.11Å; V1189-M1192 PolarHBondContact O-N 3.45Å; V1189-N1193 WeakPolarHBondContact O-CB 3.38Å; V1189-N1193 VanDerWaalsContact O-CG 3.28Å; V1189-N1193 PolarHBondContact O-N 2.89Å; V1189-N1193 PolarHBondContact O-OD1 3.36Å
1190	E	81.1	Confident	74.6	Confident	82 Å²	82	50 Å²	50	38%	0.383	27%	0.27	S	S	.	.	H	α-helix	trans	-61	-29.4	175.1	-63.3	-174.5	-179.1	0	0	113.5	P1183 N1186	P1183-E1190 VanDerWaalsContact CA-OE1 3.23Å; P1183-E1190 WeakPolarHBondContact CA-OE1 3.31Å; P1183-E1190 VanDerWaalsContact CB-CD 3.41Å; P1183-E1190 WeakPolarHBondContact CB-OE1 3.25Å; P1183-E1190 WeakPolarHBondContact CB-OE2 3.43Å; N1186-E1190 PolarHBondContact O-N 2.98Å
1191	R	84.7	Confident	76.5	Confident	142 Å²	142	52.4 Å²	52.4	54%	0.536	28%	0.283	S	S	.	.	H	α-helix	trans	-72.6	-44.9	172.1	-173.4	-176.5	-61.7	-173.6	1.9	110.4	G1187 L1188 V1189 R1194 T1195	G1187-R1191 WeakPolarHBondContact O-CB 3.21Å; G1187-R1191 PolarHBondContact O-N 2.8Å; L1188-R1191 PolarHBondContact O-N 3.31Å; V1189-R1191 PolarHBondContact O-N 3.02Å; R1191-R1194 WeakPolarHBondContact O-CB 3.39Å; R1191-R1194 PolarHBondContact O-N 2.79Å; R1191-T1195 PolarHBondContact O-N 3.49Å; R1191-T1195 PolarHBondContact O-OG1 2.84Å
1192	M	89.6	Confident	78.3	Confident	10 Å²	10	52.3 Å²	52.3	5%	0.049	29%	0.288	C	S	.	.	H	α-helix	trans	-61.7	-42.8	178.5	-162.5	60.5	71.8	0	0	111.9	V1113 V1120 L1188 V1189 R1194 T1195 I1196 L1222	V1113-M1192 HydrophobicContact CG1-CE 4.48Å; V1113-M1192 HydrophobicContact CG2-CB 4.18Å; V1113-M1192 HydrophobicContact CG2-CG 4.1Å; V1120-M1192 HydrophobicContact CG1-CG 4.28Å; V1120-M1192 HydrophobicContact CG2-CE 3.62Å; V1120-M1192 HydrophobicContact CG2-CG 4.17Å; V1120-M1192 HydrophobicContact CG2-SD 3.93Å; L1188-M1192 PolarHBondContact O-N 2.79Å; V1189-M1192 CarbonylContact O-C 3.55Å; V1189-M1192 WeakPolarHBondContact O-CA 3.47Å; V1189-M1192 WeakPolarHBondContact O-CB 3.11Å; V1189-M1192 PolarHBondContact O-N 3.45Å; M1192-R1194 PolarHBondContact O-N 2.9Å; M1192-T1195 PolarHBondContact O-N 3.02Å; M1192-I1196 HydrophobicContact CG-CD1 3.92Å; M1192-I1196 HydrophobicContact CG-CG1 4.4Å; M1192-I1196 WeakPolarHBondContact O-CD1 3.41Å; M1192-I1196 VanDerWaalsContact O-CG1 3.29Å; M1192-I1196 WeakPolarHBondContact O-CG1 3.44Å; M1192-I1196 PolarHBondContact O-N 3.21Å; M1192-L1222 HydrophobicContact SD-CD1 3.89Å; M1192-L1222 HydrophobicContact SD-CD2 3.79Å; M1192-L1222 HydrophobicContact SD-CG 4.37Å
1193	N	90.7	Very high	79.8	Confident	15 Å²	15	58.7 Å²	58.7	8%	0.08	31%	0.312	C	S	.	.	H	α-helix	trans	-53.4	-37.5	174.6	-75.9	-3.5	0	0	0	112.5	D1094 L1096 V1111 V1189 S1197	D1094-N1193 PolarHBondContact OD2-ND2 2.88Å; L1096-N1193 HydrophobicContact CD1-CB 4.15Å; V1111-N1193 WeakPolarHBondContact CG2-OD1 3.38Å; V1189-N1193 WeakPolarHBondContact O-CB 3.38Å; V1189-N1193 VanDerWaalsContact O-CG 3.28Å; V1189-N1193 PolarHBondContact O-N 2.89Å; V1189-N1193 PolarHBondContact O-OD1 3.36Å; N1193-S1197 PolarHBondContact O-N 3.37Å; N1193-S1197 VanDerWaalsContact O-N 3.11Å; N1193-S1197 PolarHBondContact O-OG 3.07Å; N1193-S1197 VanDerWaalsContact O-OG 3.09Å
1194	R	88	Confident	81.6	Confident	173 Å²	173	57.4 Å²	57.4	65%	0.653	30%	0.303	S	S	*	.	H	α-helix	trans	-68.9	-51.4	173.3	-168.1	-176	-54.5	167.9	7.2	111.5	R1191 M1192 I1196 S1197 D1198	R1191-R1194 WeakPolarHBondContact O-CB 3.39Å; R1191-R1194 PolarHBondContact O-N 2.79Å; M1192-R1194 PolarHBondContact O-N 2.9Å; R1194-I1196 PolarHBondContact O-N 3.32Å; R1194-S1197 CarbonylContact O-C 3.57Å; R1194-S1197 WeakPolarHBondContact O-CA 3.35Å; R1194-S1197 WeakPolarHBondContact O-CB 3.39Å; R1194-S1197 PolarHBondContact O-N 2.67Å; R1194-D1198 PolarHBondContact O-N 3.18Å
1195	T	90	Very high	83	Confident	52 Å²	52	56.1 Å²	56.1	32%	0.319	30%	0.299	S	S	.	.	H	α-helix	trans	-55	-40.6	178.2	-45.6	0	0	0	0	111.8	R1191 M1192 D1198 I1199 L1222	R1191-T1195 PolarHBondContact O-N 3.49Å; R1191-T1195 PolarHBondContact O-OG1 2.84Å; M1192-T1195 PolarHBondContact O-N 3.02Å; T1195-D1198 PolarHBondContact O-N 3.47Å; T1195-I1199 HydrophobicContact CG2-CD1 3.99Å; T1195-I1199 WeakPolarHBondContact O-CD1 3.43Å; T1195-I1199 VanDerWaalsContact O-CG1 3.23Å; T1195-I1199 WeakPolarHBondContact O-CG1 3.49Å; T1195-I1199 PolarHBondContact O-N 3.35Å; T1195-L1222 HydrophobicContact CG2-CD2 3.82Å
1196	I	91.4	Very high	84.1	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-63.3	-45.6	175.1	-65.2	158.9	0	0	0	111	L1096 V1111 L1122 M1192 R1194 L1200 V1218 L1222	L1096-I1196 HydrophobicContact CD2-CB 3.98Å; L1096-I1196 HydrophobicContact CD2-CG2 3.6Å; V1111-I1196 HydrophobicContact CG1-CD1 3.76Å; V1111-I1196 HydrophobicContact CG2-CD1 3.96Å; L1122-I1196 HydrophobicContact CD1-CD1 4.47Å; L1122-I1196 HydrophobicContact CD2-CD1 3.61Å; L1122-I1196 HydrophobicContact CD2-CG1 4.5Å; M1192-I1196 HydrophobicContact CG-CD1 3.92Å; M1192-I1196 HydrophobicContact CG-CG1 4.4Å; M1192-I1196 WeakPolarHBondContact O-CD1 3.41Å; M1192-I1196 VanDerWaalsContact O-CG1 3.29Å; M1192-I1196 WeakPolarHBondContact O-CG1 3.44Å; M1192-I1196 PolarHBondContact O-N 3.21Å; R1194-I1196 PolarHBondContact O-N 3.32Å; I1196-L1200 HydrophobicContact CG2-CD1 3.84Å; I1196-L1200 HydrophobicContact CG2-CG 4.4Å; I1196-L1200 WeakPolarHBondContact O-CB 3.11Å; I1196-L1200 VanDerWaalsContact O-CG 3.29Å; I1196-L1200 WeakPolarHBondContact O-CG 3.46Å; I1196-L1200 PolarHBondContact O-N 3.39Å; I1196-V1218 HydrophobicContact CG1-CG1 4.36Å; I1196-V1218 HydrophobicContact CG2-CG1 4.44Å; I1196-L1222 HydrophobicContact CG1-CD1 3.81Å
1197	S	89.6	Confident	84.2	Confident	41 Å²	41	67.2 Å²	67.2	29%	0.287	36%	0.359	S	S	.	.	H	α-helix	trans	-62.6	-43.3	175.4	-65.4	0	0	0	0	112.8	N1193 R1194 L1200 S1201	N1193-S1197 PolarHBondContact O-N 3.37Å; N1193-S1197 VanDerWaalsContact O-N 3.11Å; N1193-S1197 PolarHBondContact O-OG 3.07Å; N1193-S1197 VanDerWaalsContact O-OG 3.09Å; R1194-S1197 CarbonylContact O-C 3.57Å; R1194-S1197 WeakPolarHBondContact O-CA 3.35Å; R1194-S1197 WeakPolarHBondContact O-CB 3.39Å; R1194-S1197 PolarHBondContact O-N 2.67Å; S1197-L1200 PolarHBondContact O-N 2.92Å; S1197-S1201 WeakPolarHBondContact O-CB 3.2Å; S1197-S1201 PolarHBondContact O-N 3.45Å
1198	D	85.1	Confident	84.8	Confident	89 Å²	89	71 Å²	71	48%	0.476	37%	0.369	S	S	.	.	H	α-helix	trans	-62.9	-46.6	179.9	-61.7	-19.7	0	0	0	110	R1194 T1195 S1201	R1194-D1198 PolarHBondContact O-N 3.18Å; T1195-D1198 PolarHBondContact O-N 3.47Å; D1198-S1201 PolarHBondContact O-N 3.47Å; D1198-S1201 PolarHBondContact O-OG 3.22Å
1199	I	86.8	Confident	85	Confident	48 Å²	48	71.4 Å²	71.4	25%	0.246	37%	0.372	C	S	.	.	H	α-helix	trans	-63.1	-50.9	175.8	-64.1	164.1	0	0	0	111	T1195 S1201 A1202 Y1203 V1218 L1222	T1195-I1199 HydrophobicContact CG2-CD1 3.99Å; T1195-I1199 WeakPolarHBondContact O-CD1 3.43Å; T1195-I1199 VanDerWaalsContact O-CG1 3.23Å; T1195-I1199 WeakPolarHBondContact O-CG1 3.49Å; T1195-I1199 PolarHBondContact O-N 3.35Å; I1199-S1201 PolarHBondContact O-N 2.85Å; I1199-A1202 PolarHBondContact O-N 3.05Å; I1199-Y1203 HydrophobicContact CG2-CD2 4.24Å; I1199-Y1203 HydrophobicContact CG2-CE2 4.19Å; I1199-Y1203 WeakPolarHBondContact O-CD2 3.33Å; I1199-V1218 HydrophobicContact CD1-CG1 4.29Å; I1199-V1218 HydrophobicContact CG2-CG1 4.43Å; I1199-V1218 HydrophobicContact CG2-CG2 3.84Å; I1199-L1222 HydrophobicContact CD1-CD2 4.11Å; I1199-L1222 HydrophobicContact CD1-CG 4.42Å
1200	L	87.6	Confident	85.1	Confident	9 Å²	9	72 Å²	72	5%	0.047	38%	0.375	C	S	.	.	H	α-helix	trans	-57.8	-35.7	-179.5	-75.7	172.5	0	0	0	112.1	F1099 I1196 S1197 A1202 Y1203 V1204 W1211 F1214 L1215 V1218	F1099-L1200 HydrophobicContact CZ-CD1 4.44Å; I1196-L1200 HydrophobicContact CG2-CD1 3.84Å; I1196-L1200 HydrophobicContact CG2-CG 4.4Å; I1196-L1200 WeakPolarHBondContact O-CB 3.11Å; I1196-L1200 VanDerWaalsContact O-CG 3.29Å; I1196-L1200 WeakPolarHBondContact O-CG 3.46Å; I1196-L1200 PolarHBondContact O-N 3.39Å; S1197-L1200 PolarHBondContact O-N 2.92Å; L1200-A1202 PolarHBondContact O-N 2.74Å; L1200-A1202 VanDerWaalsContact O-N 3.14Å; L1200-Y1203 PolarHBondContact O-N 3.25Å; L1200-V1204 HydrophobicContact CB-CG2 4.34Å; L1200-V1204 HydrophobicContact CD2-CG2 4.24Å; L1200-V1204 WeakPolarHBondContact O-CB 3.5Å; L1200-V1204 WeakPolarHBondContact O-CG2 3.38Å; L1200-V1204 PolarHBondContact O-N 2.82Å; L1200-W1211 HydrophobicContact CD2-CB 4.38Å; L1200-F1214 HydrophobicContact CD2-CB 3.93Å; L1200-L1215 HydrophobicContact CD1-CD2 4.21Å; L1200-L1215 HydrophobicContact CD2-CD2 4.35Å; L1200-V1218 HydrophobicContact CD2-CG2 4.08Å; L1200-V1218 HydrophobicContact CG-CG2 4.46Å
1201	S	84.6	Confident	85.7	Confident	98 Å²	98	68.4 Å²	68.4	69%	0.685	36%	0.358	S	S	*	.	H	α-helix	trans	-63.1	-17.6	179.1	77.5	0	0	0	0	114.8	S1197 D1198 I1199	S1197-S1201 WeakPolarHBondContact O-CB 3.2Å; S1197-S1201 PolarHBondContact O-N 3.45Å; D1198-S1201 PolarHBondContact O-N 3.47Å; D1198-S1201 PolarHBondContact O-OG 3.22Å; I1199-S1201 PolarHBondContact O-N 2.85Å
1202	A	80	Confident	85.9	Confident	78 Å²	78	62.4 Å²	62.4	65%	0.645	34%	0.341	S	S	*	.	H	α-helix	trans	-92.6	-17.5	-178.9	0	0	0	0	0	114.7	I1199 L1200	I1199-A1202 PolarHBondContact O-N 3.05Å; L1200-A1202 PolarHBondContact O-N 2.74Å; L1200-A1202 VanDerWaalsContact O-N 3.14Å
1203	Y	81.3	Confident	85.9	Confident	158 Å²	158	65.1 Å²	65.1	62%	0.62	35%	0.353	S	S	*	.	H	α-helix	trans	-119.3	-21.9	-172.4	-67.5	-81.6	0	0	0	114.8	I1199 L1200 F1214	I1199-Y1203 HydrophobicContact CG2-CD2 4.24Å; I1199-Y1203 HydrophobicContact CG2-CE2 4.19Å; I1199-Y1203 WeakPolarHBondContact O-CD2 3.33Å; L1200-Y1203 PolarHBondContact O-N 3.25Å; Y1203-F1214 WeakPolarHBondContact O-CE2 3.37Å; Y1203-F1214 VanDerWaalsContact O-CZ 3.28Å; Y1203-F1214 WeakPolarHBondContact O-CZ 3.13Å
1204	V	83.6	Confident	85.9	Confident	29 Å²	29	67 Å²	67	18%	0.176	36%	0.36	C	S	.	.	S	Bend	trans	-74.6	140	-173	167.4	0	0	0	0	112.3	L1200 H1208 D1210 W1211 F1214	L1200-V1204 HydrophobicContact CB-CG2 4.34Å; L1200-V1204 HydrophobicContact CD2-CG2 4.24Å; L1200-V1204 WeakPolarHBondContact O-CB 3.5Å; L1200-V1204 WeakPolarHBondContact O-CG2 3.38Å; L1200-V1204 PolarHBondContact O-N 2.82Å; V1204-H1208 HydrophobicContact CG1-CB 4.02Å; V1204-D1210 WeakPolarHBondContact CG1-OD1 3.45Å; V1204-W1211 HydrophobicContact CG1-CB 4.34Å; V1204-W1211 HydrophobicContact CG2-CB 3.66Å; V1204-F1214 HydrophobicContact CG2-CD2 3.92Å; V1204-F1214 HydrophobicContact CG2-CE2 4.29Å
1205	N	81.1	Confident	86.2	Confident	45 Å²	45	59.1 Å²	59.1	24%	0.241	33%	0.332	C	S	.	.			trans	-69.9	166.1	-175.2	78.6	49.9	0	0	0	114	K1207 H1208 N1209 D1210	N1205-K1207 PolarHBondContact O-N 2.7Å; N1205-K1207 WeakPolarHBondContact OD1-CA 3.46Å; N1205-K1207 WeakPolarHBondContact OD1-CB 3.32Å; N1205-K1207 PolarHBondContact OD1-N 2.97Å; N1205-H1208 WeakPolarHBondContact O-CA 3.23Å; N1205-H1208 PolarHBondContact O-CD2 2.83Å; N1205-H1208 PolarHBondContact O-N 2.73Å; N1205-H1208 PolarHBondContact OD1-N 2.92Å; N1205-N1209 PolarHBondContact ND2-OD1 2.72Å; N1205-D1210 VanDerWaalsContact CB-OD2 3.27Å; N1205-D1210 WeakPolarHBondContact CB-OD2 3.38Å; N1205-D1210 VanDerWaalsContact CG-OD2 3.29Å; N1205-D1210 PolarHBondContact N-OD1 3.27Å; N1205-D1210 PolarHBondContact ND2-OD1 2.67Å; N1205-D1210 PolarHBondContact ND2-OD2 3.01Å
1206	A	77.5	Confident	86.3	Confident	106 Å²	106	60.2 Å²	60.2	88%	0.876	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-10.9	-176.4	0	0	0	0	0	116.5
1207	K	73.2	Confident	86.2	Confident	171 Å²	171	66.9 Å²	66.9	74%	0.743	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-6.5	170.3	-61	-179.5	-179.7	176.2	0	112.6	N1205 N1209	N1205-K1207 PolarHBondContact O-N 2.7Å; N1205-K1207 WeakPolarHBondContact OD1-CA 3.46Å; N1205-K1207 WeakPolarHBondContact OD1-CB 3.32Å; N1205-K1207 PolarHBondContact OD1-N 2.97Å; K1207-N1209 VanDerWaalsContact C-N 3.28Å; K1207-N1209 PolarHBondContact O-N 3.41Å
1208	H	84.8	Confident	86.3	Confident	106 Å²	106	65.2 Å²	65.2	49%	0.491	36%	0.357	S	S	.	.			trans	50.6	38.8	-173.9	-52.9	152.2	0	0	0	114.2	P1100 V1204 N1205 W1211	P1100-H1208 HydrophobicContact CB-CB 4.3Å; P1100-H1208 HydrophobicContact CG-CB 3.9Å; V1204-H1208 HydrophobicContact CG1-CB 4.02Å; N1205-H1208 WeakPolarHBondContact O-CA 3.23Å; N1205-H1208 PolarHBondContact O-CD2 2.83Å; N1205-H1208 PolarHBondContact O-N 2.73Å; N1205-H1208 PolarHBondContact OD1-N 2.92Å; H1208-W1211 VanDerWaalsContact O-CD1 3.31Å
1209	N	87.4	Confident	86.8	Confident	48 Å²	48	62.9 Å²	62.9	26%	0.257	34%	0.343	S	S	.	.			trans	-106.7	-0.5	-176	76.6	-10.8	0	0	0	115.2	S1102 R1103 N1205 K1207	S1102-N1209 CarbonylContact C-O 3.57Å; S1102-N1209 WeakPolarHBondContact CA-O 3.5Å; R1103-N1209 VanDerWaalsContact CG-O 3.27Å; R1103-N1209 WeakPolarHBondContact CG-O 3.34Å; R1103-N1209 PolarHBondContact N-O 2.95Å; N1205-N1209 PolarHBondContact ND2-OD1 2.72Å; K1207-N1209 VanDerWaalsContact C-N 3.28Å; K1207-N1209 PolarHBondContact O-N 3.41Å
1210	D	89.8	Confident	87	Confident	13 Å²	13	64.1 Å²	64.1	7%	0.07	35%	0.35	C	S	.	.			trans	-112.4	1.8	-178.1	53.7	-0.2	0	0	0	114.5	R1103 V1204 N1205 G1212 E1213 F1214	R1103-D1210 IonicContact NH2-OD2 2.74Å; V1204-D1210 WeakPolarHBondContact CG1-OD1 3.45Å; N1205-D1210 VanDerWaalsContact CB-OD2 3.27Å; N1205-D1210 WeakPolarHBondContact CB-OD2 3.38Å; N1205-D1210 VanDerWaalsContact CG-OD2 3.29Å; N1205-D1210 PolarHBondContact N-OD1 3.27Å; N1205-D1210 PolarHBondContact ND2-OD1 2.67Å; N1205-D1210 PolarHBondContact ND2-OD2 3.01Å; D1210-G1212 PolarHBondContact O-N 2.85Å; D1210-E1213 WeakPolarHBondContact O-CB 3.28Å; D1210-E1213 PolarHBondContact O-N 3.02Å; D1210-F1214 HydrophobicContact CB-CE2 4.28Å; D1210-F1214 WeakPolarHBondContact O-CD2 3.25Å
1211	W	92.2	Very high	87.1	Confident	5 Å²	5	65.3 Å²	65.3	2%	0.019	36%	0.361	C	S	.	.	H	α-helix	trans	-51.6	-29.2	178.7	65.9	-100.1	0	0	0	114.8	F1099 P1100 N1106 V1109 A1124 L1200 V1204 H1208 E1213 F1214 L1215	F1099-W1211 HydrophobicContact CB-CD2 4.27Å; F1099-W1211 HydrophobicContact CB-CZ2 3.89Å; F1099-W1211 HydrophobicContact CD2-CD2 4.27Å; F1099-W1211 HydrophobicContact CD2-CE3 4.27Å; F1099-W1211 HydrophobicContact CD2-CH2 4.27Å; F1099-W1211 HydrophobicContact CD2-CZ2 4.24Å; F1099-W1211 HydrophobicContact CD2-CZ3 4.3Å; F1099-W1211 HydrophobicContact CG-CD2 4.39Å; F1099-W1211 HydrophobicContact CG-CZ2 4.49Å; P1100-W1211 PolarHBondContact O-NE1 2.71Å; N1106-W1211 HydrophobicContact CB-CH2 3.81Å; N1106-W1211 HydrophobicContact CB-CZ2 4.19Å; N1106-W1211 WeakPolarHBondContact O-CZ2 3.08Å; V1109-W1211 HydrophobicContact CG2-CE3 4.18Å; V1109-W1211 HydrophobicContact CG2-CH2 4.27Å; V1109-W1211 HydrophobicContact CG2-CZ3 3.49Å; V1109-W1211 VanDerWaalsContact CG2-CZ3 3.49Å; A1124-W1211 HydrophobicContact CB-CH2 4.24Å; A1124-W1211 HydrophobicContact CB-CZ3 3.97Å; L1200-W1211 HydrophobicContact CD2-CB 4.38Å; V1204-W1211 HydrophobicContact CG1-CB 4.34Å; V1204-W1211 HydrophobicContact CG2-CB 3.66Å; H1208-W1211 VanDerWaalsContact O-CD1 3.31Å; W1211-E1213 VanDerWaalsContact C-N 3.29Å; W1211-E1213 PolarHBondContact O-N 2.66Å; W1211-F1214 PolarHBondContact O-N 2.87Å; W1211-L1215 HydrophobicContact CZ3-CD1 4.24Å
1212	G	89.2	Confident	87.5	Confident	17 Å²	17	61.1 Å²	61.1	18%	0.175	33%	0.331	C	S	.	.	H	α-helix	trans	-72.9	-20	177.7	0	0	0	0	0	114	D1210	D1210-G1212 PolarHBondContact O-N 2.85Å
1213	E	89.9	Confident	88.3	Confident	66 Å²	66	57.6 Å²	57.6	31%	0.308	30%	0.302	S	S	.	.	H	α-helix	trans	-82.6	-27.6	177.5	-59.9	167.8	-161.3	0	0	110.9	R1103 D1210 W1211 P1216	R1103-E1213 VanDerWaalsContact CD-OE1 3.25Å; R1103-E1213 WeakPolarHBondContact CD-OE1 3.4Å; R1103-E1213 WeakPolarHBondContact CG-OE1 3.39Å; R1103-E1213 IonicContact CZ-OE1 3.37Å; R1103-E1213 IonicContact CZ-OE2 3.01Å; R1103-E1213 IonicContact NE-OE1 3.21Å; R1103-E1213 IonicContact NH1-OE1 3.96Å; R1103-E1213 PolarHBondContact NH1-OE1 2.86Å; R1103-E1213 IonicContact NH1-OE2 3.11Å; R1103-E1213 PolarHBondContact NH1-OE2 2.74Å; D1210-E1213 WeakPolarHBondContact O-CB 3.28Å; D1210-E1213 PolarHBondContact O-N 3.02Å; W1211-E1213 VanDerWaalsContact C-N 3.29Å; W1211-E1213 PolarHBondContact O-N 2.66Å; E1213-P1216 WeakPolarHBondContact O-CD 3.16Å
1214	F	91.1	Very high	88.8	Confident	54 Å²	54	51 Å²	51	24%	0.237	28%	0.278	C	S	.	.	H	α-helix	trans	-78.5	-18.5	179.3	-70.7	-70.3	0	0	0	114.9	L1200 Y1203 V1204 D1210 W1211 P1216 F1217 V1218	L1200-F1214 HydrophobicContact CD2-CB 3.93Å; Y1203-F1214 WeakPolarHBondContact O-CE2 3.37Å; Y1203-F1214 VanDerWaalsContact O-CZ 3.28Å; Y1203-F1214 WeakPolarHBondContact O-CZ 3.13Å; V1204-F1214 HydrophobicContact CG2-CD2 3.92Å; V1204-F1214 HydrophobicContact CG2-CE2 4.29Å; D1210-F1214 HydrophobicContact CB-CE2 4.28Å; D1210-F1214 WeakPolarHBondContact O-CD2 3.25Å; W1211-F1214 PolarHBondContact O-N 2.87Å; F1214-P1216 VanDerWaalsContact C-CD 3.45Å; F1214-F1217 PolarHBondContact O-N 2.81Å; F1214-F1217 VanDerWaalsContact O-N 3.13Å; F1214-V1218 WeakPolarHBondContact O-CG2 3.28Å; F1214-V1218 PolarHBondContact O-N 3.31Å; F1214-V1218 VanDerWaalsContact O-N 3.08Å
1215	L	93	Very high	89.1	Confident	9 Å²	9	51.2 Å²	51.2	5%	0.047	28%	0.283	C	S	.	.	H	α-helix	trans	-55.6	-39.1	-172.8	-63.9	-178	0	0	0	115.9	V1109 A1124 L1200 W1211 F1217 V1218 M1219	V1109-L1215 HydrophobicContact CG1-CD1 4.23Å; V1109-L1215 HydrophobicContact CG2-CD1 3.8Å; V1109-L1215 HydrophobicContact CG2-CD2 4.13Å; A1124-L1215 HydrophobicContact CB-CD1 3.72Å; L1200-L1215 HydrophobicContact CD1-CD2 4.21Å; L1200-L1215 HydrophobicContact CD2-CD2 4.35Å; W1211-L1215 HydrophobicContact CZ3-CD1 4.24Å; L1215-F1217 VanDerWaalsContact C-N 3.33Å; L1215-F1217 PolarHBondContact O-N 2.83Å; L1215-V1218 PolarHBondContact O-N 3.23Å; L1215-M1219 WeakPolarHBondContact O-CB 3.32Å; L1215-M1219 PolarHBondContact O-N 3.22Å
1216	P	92	Very high	89.6	Confident	74 Å²	74	52.8 Å²	52.8	48%	0.481	29%	0.288	S	S	.	.	H	α-helix	trans	-61.1	-41.9	177.3	-23.3	35.5	0	0	0	112.3	E1213 F1214 M1219 L1220	E1213-P1216 WeakPolarHBondContact O-CD 3.16Å; F1214-P1216 VanDerWaalsContact C-CD 3.45Å; P1216-M1219 WeakPolarHBondContact O-CB 3.28Å; P1216-M1219 PolarHBondContact O-N 3.41Å; P1216-L1220 PolarHBondContact O-N 2.88Å
1217	F	90.5	Very high	90.2	Very high	140 Å²	140	49.5 Å²	49.5	61%	0.614	26%	0.255	S	S	*	.	H	α-helix	trans	-69.1	-38.1	178.1	-50.5	-77.8	0	0	0	111.8	F1214 L1215 M1219 L1220 A1221	F1214-F1217 PolarHBondContact O-N 2.81Å; F1214-F1217 VanDerWaalsContact O-N 3.13Å; L1215-F1217 VanDerWaalsContact C-N 3.33Å; L1215-F1217 PolarHBondContact O-N 2.83Å; F1217-M1219 VanDerWaalsContact C-N 3.34Å; F1217-L1220 PolarHBondContact O-N 2.96Å; F1217-A1221 WeakPolarHBondContact O-CB 3.36Å; F1217-A1221 PolarHBondContact O-N 2.88Å
1218	V	92.1	Very high	90.8	Very high	6 Å²	6	45.4 Å²	45.4	4%	0.036	25%	0.248	C	C	.	.	H	α-helix	trans	-60.8	-43.9	171.6	178.6	0	0	0	0	110.7	L1122 I1196 I1199 L1200 F1214 L1215 A1221 L1222	L1122-V1218 HydrophobicContact CD1-CB 4.42Å; L1122-V1218 HydrophobicContact CD1-CG1 4.14Å; I1196-V1218 HydrophobicContact CG1-CG1 4.36Å; I1196-V1218 HydrophobicContact CG2-CG1 4.44Å; I1199-V1218 HydrophobicContact CD1-CG1 4.29Å; I1199-V1218 HydrophobicContact CG2-CG1 4.43Å; I1199-V1218 HydrophobicContact CG2-CG2 3.84Å; L1200-V1218 HydrophobicContact CD2-CG2 4.08Å; L1200-V1218 HydrophobicContact CG-CG2 4.46Å; F1214-V1218 WeakPolarHBondContact O-CG2 3.28Å; F1214-V1218 PolarHBondContact O-N 3.31Å; F1214-V1218 VanDerWaalsContact O-N 3.08Å; L1215-V1218 PolarHBondContact O-N 3.23Å; V1218-A1221 PolarHBondContact O-N 3.44Å; V1218-L1222 HydrophobicContact CG1-CD1 3.87Å; V1218-L1222 HydrophobicContact CG1-CG 4.4Å; V1218-L1222 WeakPolarHBondContact O-CB 3.37Å; V1218-L1222 VanDerWaalsContact O-CG 3.24Å; V1218-L1222 WeakPolarHBondContact O-CG 3.48Å; V1218-L1222 PolarHBondContact O-N 3.2Å
1219	M	94.4	Very high	90.8	Very high	40 Å²	40	41.5 Å²	41.5	20%	0.197	23%	0.233	C	C	.	.	H	α-helix	trans	-65	-44.2	178.5	-167.7	172.6	69.7	0	0	112	V1120 L1122 L1215 P1216 F1217 L1222 N1223	V1120-M1219 WeakPolarHBondContact O-CG 3.43Å; L1122-M1219 HydrophobicContact CB-SD 4.4Å; L1122-M1219 HydrophobicContact CD1-CB 4.1Å; L1122-M1219 HydrophobicContact CG-CB 4.41Å; L1122-M1219 HydrophobicContact CG-CG 4.47Å; L1215-M1219 WeakPolarHBondContact O-CB 3.32Å; L1215-M1219 PolarHBondContact O-N 3.22Å; P1216-M1219 WeakPolarHBondContact O-CB 3.28Å; P1216-M1219 PolarHBondContact O-N 3.41Å; F1217-M1219 VanDerWaalsContact C-N 3.34Å; M1219-L1222 PolarHBondContact O-N 3.49Å; M1219-N1223 WeakPolarHBondContact O-CB 3.33Å; M1219-N1223 PolarHBondContact O-N 3.29Å; M1219-N1223 PolarHBondContact O-ND2 3.14Å
1220	L	91.5	Very high	91	Very high	75 Å²	75	39.2 Å²	39.2	39%	0.393	22%	0.22	S	C	.	.	H	α-helix	trans	-58.8	-48.8	174.5	179.7	62.6	0	0	0	111.3	P1216 F1217 L1222 N1223 T1224 L1245	P1216-L1220 PolarHBondContact O-N 2.88Å; F1217-L1220 PolarHBondContact O-N 2.96Å; L1220-L1222 PolarHBondContact O-N 3.2Å; L1220-N1223 PolarHBondContact O-N 3.07Å; L1220-T1224 HydrophobicContact CD1-CG2 3.93Å; L1220-T1224 WeakPolarHBondContact O-CB 3.41Å; L1220-T1224 WeakPolarHBondContact O-CG2 3.45Å; L1220-T1224 PolarHBondContact O-N 2.71Å; L1220-T1224 PolarHBondContact O-OG1 3.36Å; L1220-L1245 HydrophobicContact CD1-CD2 4.11Å; L1220-L1245 HydrophobicContact CD2-CD2 4.38Å; L1220-L1245 HydrophobicContact CG-CD2 4.36Å
1221	A	90.6	Very high	91	Very high	34 Å²	34	45.9 Å²	45.9	28%	0.281	24%	0.244	S	C	.	.	H	α-helix	trans	-61.9	-41.7	178.8	0	0	0	0	0	112.7	F1217 V1218 T1224 A1225	F1217-A1221 WeakPolarHBondContact O-CB 3.36Å; F1217-A1221 PolarHBondContact O-N 2.88Å; V1218-A1221 PolarHBondContact O-N 3.44Å; A1221-T1224 PolarHBondContact O-N 3.13Å; A1221-A1225 WeakPolarHBondContact O-CB 3.1Å; A1221-A1225 PolarHBondContact O-N 3.43Å; A1221-A1225 VanDerWaalsContact O-N 3.1Å
1222	L	93.2	Very high	91.1	Very high	10 Å²	10	47.1 Å²	47.1	5%	0.052	25%	0.25	C	C	.	.	H	α-helix	trans	-67.4	-35.7	177.9	-71.8	172.3	0	0	0	113.2	V1120 M1192 T1195 I1196 I1199 V1218 M1219 L1220 Q1227	V1120-L1222 HydrophobicContact CG1-CD1 4.36Å; V1120-L1222 HydrophobicContact CG2-CB 4.26Å; M1192-L1222 HydrophobicContact SD-CD1 3.89Å; M1192-L1222 HydrophobicContact SD-CD2 3.79Å; M1192-L1222 HydrophobicContact SD-CG 4.37Å; T1195-L1222 HydrophobicContact CG2-CD2 3.82Å; I1196-L1222 HydrophobicContact CG1-CD1 3.81Å; I1199-L1222 HydrophobicContact CD1-CD2 4.11Å; I1199-L1222 HydrophobicContact CD1-CG 4.42Å; V1218-L1222 HydrophobicContact CG1-CD1 3.87Å; V1218-L1222 HydrophobicContact CG1-CG 4.4Å; V1218-L1222 WeakPolarHBondContact O-CB 3.37Å; V1218-L1222 VanDerWaalsContact O-CG 3.24Å; V1218-L1222 WeakPolarHBondContact O-CG 3.48Å; V1218-L1222 PolarHBondContact O-N 3.2Å; M1219-L1222 PolarHBondContact O-N 3.49Å; L1220-L1222 PolarHBondContact O-N 3.2Å; L1222-Q1227 PolarHBondContact O-NE2 3.19Å
1223	N	95.3	Very high	91.3	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.021	25%	0.245	C	C	.	.	H	α-helix	trans	-83.5	-13.9	-179.3	-71.9	-25.2	0	0	0	113.7	W1119 V1120 M1219 L1220 P1234 F1235	W1119-N1223 WeakPolarHBondContact CA-OD1 3.45Å; W1119-N1223 HydrophobicContact CD2-CB 4.5Å; W1119-N1223 HydrophobicContact CE3-CB 3.94Å; W1119-N1223 HydrophobicContact CH2-CB 4.14Å; W1119-N1223 WeakPolarHBondContact CZ2-ND2 3.35Å; W1119-N1223 HydrophobicContact CZ3-CB 3.74Å; V1120-N1223 PolarHBondContact N-OD1 3.18Å; V1120-N1223 PolarHBondContact O-ND2 2.68Å; M1219-N1223 WeakPolarHBondContact O-CB 3.33Å; M1219-N1223 PolarHBondContact O-N 3.29Å; M1219-N1223 PolarHBondContact O-ND2 3.14Å; L1220-N1223 PolarHBondContact O-N 3.07Å; N1223-P1234 HydrophobicContact CB-CB 4.36Å; N1223-P1234 VanDerWaalsContact O-CD 3.24Å; N1223-P1234 WeakPolarHBondContact O-CD 3.4Å; N1223-F1235 WeakPolarHBondContact O-CB 3.5Å; N1223-F1235 PolarHBondContact O-N 3.38Å
1224	T	92	Very high	91.5	Very high	20 Å²	20	43.7 Å²	43.7	12%	0.123	23%	0.23	C	C	.	.	H	α-helix	trans	-111.4	-6	179.9	58.5	0	0	0	0	114.5	L1220 A1221 T1233 F1235 A1243 L1245	L1220-T1224 HydrophobicContact CD1-CG2 3.93Å; L1220-T1224 WeakPolarHBondContact O-CB 3.41Å; L1220-T1224 WeakPolarHBondContact O-CG2 3.45Å; L1220-T1224 PolarHBondContact O-N 2.71Å; L1220-T1224 PolarHBondContact O-OG1 3.36Å; A1221-T1224 PolarHBondContact O-N 3.13Å; T1224-T1233 WeakPolarHBondContact O-CG2 3.22Å; T1224-F1235 HydrophobicContact CG2-CB 4.42Å; T1224-F1235 HydrophobicContact CG2-CD2 4.47Å; T1224-A1243 HydrophobicContact CG2-CB 3.45Å; T1224-A1243 VanDerWaalsContact CG2-CB 3.45Å; T1224-L1245 HydrophobicContact CG2-CD2 4.17Å
1225	A	91	Very high	91.6	Very high	33 Å²	33	42.6 Å²	42.6	27%	0.273	23%	0.226	S	C	.	.	S	Bend	trans	-80.7	145.7	169.3	0	0	0	0	0	112.4	A1221 Q1227 P1234	A1221-A1225 WeakPolarHBondContact O-CB 3.1Å; A1221-A1225 PolarHBondContact O-N 3.43Å; A1221-A1225 VanDerWaalsContact O-N 3.1Å; A1225-Q1227 PolarHBondContact O-N 2.88Å; A1225-P1234 WeakPolarHBondContact O-CD 3.44Å
1226	E	91.5	Very high	91.6	Very high	78 Å²	78	43.4 Å²	43.4	36%	0.364	23%	0.229	S	C	.	.			trans	-65.9	119.5	174.7	-174	-166.1	128.1	0	0	110.3	K9 S1228 R1231	K9-E1226 IonicContact NZ-OE2 2.78Å; K9-E1226 PolarHBondContact NZ-OE2 2.63Å; E1226-S1228 PolarHBondContact O-N 3.42Å; E1226-R1231 WeakPolarHBondContact OE1-CD 3.22Å; E1226-R1231 IonicContact OE1-NH1 3.11Å; E1226-R1231 PolarHBondContact OE1-NH1 3.11Å
1227	Q	89.8	Confident	91.7	Very high	37 Å²	37	39.9 Å²	39.9	17%	0.173	21%	0.206	C	C	.	.			trans	-82.9	114.9	-179.8	-72.1	-73.3	-14.9	0	0	110.4	K1118 L1222 A1225 S1229 T1230 R1231 F1232 P1234	K1118-Q1227 HydrophobicContact CB-CG 4.06Å; K1118-Q1227 HydrophobicContact CG-CB 4.31Å; K1118-Q1227 HydrophobicContact CG-CG 4.35Å; L1222-Q1227 PolarHBondContact O-NE2 3.19Å; A1225-Q1227 PolarHBondContact O-N 2.88Å; Q1227-S1229 PolarHBondContact O-N 2.79Å; Q1227-T1230 WeakPolarHBondContact CB-OG1 3.28Å; Q1227-T1230 PolarHBondContact O-N 2.91Å; Q1227-T1230 PolarHBondContact O-OG1 3.1Å; Q1227-T1230 VanDerWaalsContact O-OG1 3.07Å; Q1227-R1231 PolarHBondContact O-N 3.41Å; Q1227-F1232 PolarHBondContact N-O 2.85Å; Q1227-P1234 HydrophobicContact CG-CG 3.77Å
1228	S	85.4	Confident	91.8	Very high	85 Å²	85	34.6 Å²	34.6	59%	0.594	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52	-17.7	-177.3	59.2	0	0	0	0	116.3	E1226	E1226-S1228 PolarHBondContact O-N 3.42Å
1229	S	84.7	Confident	91.6	Very high	24 Å²	24	39.6 Å²	39.6	17%	0.168	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-22.4	176	64.2	0	0	0	0	114.9	K1118 Q1227 N1278 C1279	K1118-S1229 WeakPolarHBondContact CE-OG 3.08Å; Q1227-S1229 PolarHBondContact O-N 2.79Å; S1229-N1278 CarbonylContact O-C 3.43Å; S1229-N1278 WeakPolarHBondContact O-CB 3.48Å; S1229-C1279 WeakPolarHBondContact O-CA 3.46Å; S1229-C1279 PolarHBondContact O-N 3.35Å; S1229-C1279 VanDerWaalsContact O-N 3.07Å; S1229-C1279 PolarHBondContact O-SG 3.5Å; S1229-C1279 VanDerWaalsContact O-SG 3.41Å
1230	T	91	Very high	91.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104	-34.3	179.1	55.9	0	0	0	0	112.7	L1116 K1118 Q1227 F1232 L1237 A1275 N1278	L1116-T1230 WeakPolarHBondContact O-CG2 3.36Å; K1118-T1230 HydrophobicContact CG-CG2 3.95Å; Q1227-T1230 WeakPolarHBondContact CB-OG1 3.28Å; Q1227-T1230 PolarHBondContact O-N 2.91Å; Q1227-T1230 PolarHBondContact O-OG1 3.1Å; Q1227-T1230 VanDerWaalsContact O-OG1 3.07Å; T1230-F1232 VanDerWaalsContact C-N 3.33Å; T1230-F1232 WeakPolarHBondContact O-CD2 3.27Å; T1230-F1232 PolarHBondContact OG1-N 2.82Å; T1230-F1232 PolarHBondContact OG1-O 3.28Å; T1230-F1232 VanDerWaalsContact OG1-O 3.05Å; T1230-L1237 HydrophobicContact CG2-CD1 4Å; T1230-A1275 HydrophobicContact CG2-CB 4.1Å; T1230-N1278 PolarHBondContact O-ND2 2.99Å
1231	R	91.2	Very high	90.9	Very high	152 Å²	152	41.6 Å²	41.6	57%	0.574	21%	0.208	S	C	*	.	S	Bend	trans	71.4	18.2	-166.3	-56.2	-56.6	-167.6	159.5	1.8	115.8	E1226 Q1227	E1226-R1231 WeakPolarHBondContact OE1-CD 3.22Å; E1226-R1231 IonicContact OE1-NH1 3.11Å; E1226-R1231 PolarHBondContact OE1-NH1 3.11Å; Q1227-R1231 PolarHBondContact O-N 3.41Å
1232	F	92.9	Very high	90.5	Very high	31 Å²	31	43.3 Å²	43.3	14%	0.136	22%	0.215	C	C	.	.	S	Bend	trans	-135.1	163.1	175.1	-62.5	-79.3	0	0	0	109.6	Q1227 T1230 E1236 L1237 R1271 E1274 A1275	Q1227-F1232 PolarHBondContact N-O 2.85Å; T1230-F1232 VanDerWaalsContact C-N 3.33Å; T1230-F1232 WeakPolarHBondContact O-CD2 3.27Å; T1230-F1232 PolarHBondContact OG1-N 2.82Å; T1230-F1232 PolarHBondContact OG1-O 3.28Å; T1230-F1232 VanDerWaalsContact OG1-O 3.05Å; F1232-E1236 WeakPolarHBondContact CA-OE2 3.49Å; F1232-E1236 WeakPolarHBondContact CB-OE2 3.42Å; F1232-L1237 HydrophobicContact CB-CD1 3.97Å; F1232-L1237 HydrophobicContact CB-CD2 3.91Å; F1232-L1237 HydrophobicContact CB-CG 3.75Å; F1232-L1237 HydrophobicContact CD2-CD2 3.97Å; F1232-L1237 HydrophobicContact CG-CD2 3.97Å; F1232-L1237 HydrophobicContact CG-CG 4.37Å; F1232-R1271 HydrophobicContact CE1-CB 4.18Å; F1232-R1271 HydrophobicContact CE1-CG 3.82Å; F1232-R1271 HydrophobicContact CE2-CB 4.41Å; F1232-R1271 HydrophobicContact CZ-CB 4.05Å; F1232-R1271 HydrophobicContact CZ-CG 3.95Å; F1232-E1274 HydrophobicContact CE2-CB 4.03Å; F1232-E1274 HydrophobicContact CZ-CB 4.43Å; F1232-A1275 HydrophobicContact CD2-CB 4.05Å; F1232-A1275 HydrophobicContact CE2-CB 4.48Å
1233	T	93.6	Very high	90	Very high	12 Å²	12	43.1 Å²	43.1	7%	0.074	22%	0.215	C	C	.	.			trans	-75.4	148.5	166.8	68.3	0	0	0	0	110.1	T1224 F1235 E1236 L1237	T1224-T1233 WeakPolarHBondContact O-CG2 3.22Å; T1233-F1235 PolarHBondContact O-N 3.1Å; T1233-E1236 WeakPolarHBondContact CB-OE1 3.48Å; T1233-E1236 WeakPolarHBondContact CG2-OE1 3.41Å; T1233-E1236 PolarHBondContact N-OE2 3.32Å; T1233-E1236 PolarHBondContact O-N 3.45Å; T1233-E1236 WeakPolarHBondContact OG1-CB 3.37Å; T1233-E1236 VanDerWaalsContact OG1-CG 3.22Å; T1233-E1236 WeakPolarHBondContact OG1-CG 3.39Å; T1233-E1236 PolarHBondContact OG1-N 3.13Å; T1233-E1236 VanDerWaalsContact OG1-N 3.1Å; T1233-E1236 PolarHBondContact OG1-OE1 3.3Å; T1233-L1237 PolarHBondContact O-N 3.47Å
1234	P	95	Very high	89.3	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-55.3	-36.4	171.2	-29.3	35.7	0	0	0	112.9	T1117 K1118 W1119 N1223 A1225 Q1227 L1237 V1238	T1117-P1234 WeakPolarHBondContact O-CA 3.18Å; K1118-P1234 HydrophobicContact CB-CG 4.37Å; W1119-P1234 HydrophobicContact CB-CB 4.39Å; W1119-P1234 HydrophobicContact CE3-CB 4.06Å; N1223-P1234 HydrophobicContact CB-CB 4.36Å; N1223-P1234 VanDerWaalsContact O-CD 3.24Å; N1223-P1234 WeakPolarHBondContact O-CD 3.4Å; A1225-P1234 WeakPolarHBondContact O-CD 3.44Å; Q1227-P1234 HydrophobicContact CG-CG 3.77Å; P1234-L1237 PolarHBondContact O-N 3.4Å; P1234-V1238 WeakPolarHBondContact O-CG2 3.45Å; P1234-V1238 PolarHBondContact O-N 2.96Å
1235	F	93.8	Very high	88.7	Confident	31 Å²	31	48 Å²	48	14%	0.136	24%	0.238	C	C	.	.	H	α-helix	trans	-62.1	-45	176.8	-159.8	-80	0	0	0	112.7	W1119 N1223 T1224 T1233 L1237 V1238 Y1239 R1241 A1243	W1119-F1235 HydrophobicContact CH2-CD2 4.14Å; W1119-F1235 HydrophobicContact CZ3-CB 4.3Å; W1119-F1235 AromaticContact CZ3-CD2 3.93Å; W1119-F1235 HydrophobicContact CZ3-CD2 3.93Å; W1119-F1235 HydrophobicContact CZ3-CG 4.45Å; N1223-F1235 WeakPolarHBondContact O-CB 3.5Å; N1223-F1235 PolarHBondContact O-N 3.38Å; T1224-F1235 HydrophobicContact CG2-CB 4.42Å; T1224-F1235 HydrophobicContact CG2-CD2 4.47Å; T1233-F1235 PolarHBondContact O-N 3.1Å; F1235-L1237 VanDerWaalsContact C-N 3.31Å; F1235-L1237 PolarHBondContact O-N 3.05Å; F1235-V1238 PolarHBondContact O-N 3.01Å; F1235-Y1239 AromaticContact CD1-CD2 3.7Å; F1235-Y1239 HydrophobicContact CD1-CD2 3.7Å; F1235-Y1239 HydrophobicContact CD1-CG 4.38Å; F1235-Y1239 AromaticContact CD2-CD2 3.77Å; F1235-Y1239 HydrophobicContact CD2-CD2 3.77Å; F1235-Y1239 AromaticContact CD2-CE2 3.84Å; F1235-Y1239 HydrophobicContact CD2-CE2 3.84Å; F1235-Y1239 AromaticContact CE1-CD2 3.65Å; F1235-Y1239 HydrophobicContact CE1-CD2 3.65Å; F1235-Y1239 HydrophobicContact CE1-CE2 4.44Å; F1235-Y1239 HydrophobicContact CE1-CG 4.09Å; F1235-Y1239 AromaticContact CE2-CD2 3.72Å; F1235-Y1239 HydrophobicContact CE2-CD2 3.72Å; F1235-Y1239 AromaticContact CE2-CE2 3.69Å; F1235-Y1239 HydrophobicContact CE2-CE2 3.69Å; F1235-Y1239 AromaticContact CG-CD2 3.75Å; F1235-Y1239 HydrophobicContact CG-CD2 3.75Å; F1235-Y1239 HydrophobicContact CG-CE2 4.28Å; F1235-Y1239 AromaticContact CZ-CD2 3.66Å; F1235-Y1239 HydrophobicContact CZ-CD2 3.66Å; F1235-Y1239 HydrophobicContact CZ-CE2 4.02Å; F1235-Y1239 HydrophobicContact CZ-CG 4.27Å; F1235-Y1239 PolarHBondContact O-N 3.47Å; F1235-R1241 WeakPolarHBondContact CD1-O 3.18Å; F1235-R1241 HydrophobicContact CE1-CG 4.3Å; F1235-A1243 HydrophobicContact CB-CB 4.36Å; F1235-A1243 HydrophobicContact CD1-CB 3.73Å; F1235-A1243 HydrophobicContact CD2-CB 3.9Å; F1235-A1243 HydrophobicContact CE1-CB 3.88Å; F1235-A1243 HydrophobicContact CE2-CB 4.04Å; F1235-A1243 HydrophobicContact CG-CB 3.74Å; F1235-A1243 HydrophobicContact CZ-CB 4.04Å
1236	E	91.8	Very high	87.6	Confident	26 Å²	26	49.6 Å²	49.6	12%	0.121	25%	0.246	C	C	.	.	H	α-helix	trans	-58.3	-41.6	173.1	-77.5	145.4	-141	0	0	112.5	F1232 T1233 V1238 G1240 R1241 V1242	F1232-E1236 WeakPolarHBondContact CA-OE2 3.49Å; F1232-E1236 WeakPolarHBondContact CB-OE2 3.42Å; T1233-E1236 WeakPolarHBondContact CB-OE1 3.48Å; T1233-E1236 WeakPolarHBondContact CG2-OE1 3.41Å; T1233-E1236 PolarHBondContact N-OE2 3.32Å; T1233-E1236 PolarHBondContact O-N 3.45Å; T1233-E1236 WeakPolarHBondContact OG1-CB 3.37Å; T1233-E1236 VanDerWaalsContact OG1-CG 3.22Å; T1233-E1236 WeakPolarHBondContact OG1-CG 3.39Å; T1233-E1236 PolarHBondContact OG1-N 3.13Å; T1233-E1236 VanDerWaalsContact OG1-N 3.1Å; T1233-E1236 PolarHBondContact OG1-OE1 3.3Å; E1236-V1238 VanDerWaalsContact C-N 3.35Å; E1236-G1240 WeakPolarHBondContact O-CA 2.95Å; E1236-G1240 PolarHBondContact O-N 3.35Å; E1236-R1241 WeakPolarHBondContact CA-O 3.42Å; E1236-V1242 HydrophobicContact CG-CG2 4.27Å
1237	L	94	Very high	86.1	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-75.8	-23.2	-177.2	-64.7	177.7	0	0	0	113.1	T1117 T1230 F1232 T1233 P1234 F1235 R1271 R1272 A1275	T1117-L1237 HydrophobicContact CG2-CB 3.78Å; T1230-L1237 HydrophobicContact CG2-CD1 4Å; F1232-L1237 HydrophobicContact CB-CD1 3.97Å; F1232-L1237 HydrophobicContact CB-CD2 3.91Å; F1232-L1237 HydrophobicContact CB-CG 3.75Å; F1232-L1237 HydrophobicContact CD2-CD2 3.97Å; F1232-L1237 HydrophobicContact CG-CD2 3.97Å; F1232-L1237 HydrophobicContact CG-CG 4.37Å; T1233-L1237 PolarHBondContact O-N 3.47Å; P1234-L1237 PolarHBondContact O-N 3.4Å; F1235-L1237 VanDerWaalsContact C-N 3.31Å; F1235-L1237 PolarHBondContact O-N 3.05Å; L1237-R1271 HydrophobicContact CD2-CB 4.19Å; L1237-R1272 HydrophobicContact CD2-CG 4.4Å; L1237-R1272 VanDerWaalsContact O-CZ 3.29Å; L1237-R1272 PolarHBondContact O-NE 3.44Å; L1237-R1272 PolarHBondContact O-NH2 3.15Å; L1237-A1275 HydrophobicContact CD1-CB 3.63Å; L1237-A1275 HydrophobicContact CD2-CB 3.87Å; L1237-A1275 HydrophobicContact CG-CB 4.44Å
1238	V	92.6	Very high	84.9	Confident	29 Å²	29	51.7 Å²	51.7	18%	0.176	26%	0.255	C	S	.	.	H	α-helix	trans	-84.8	-57.3	172.8	173.9	0	0	0	0	110.8	T1117 W1119 P1234 F1235 E1236 R1272	T1117-V1238 HydrophobicContact CG2-CG2 4.16Å; W1119-V1238 HydrophobicContact CB-CG2 4.27Å; W1119-V1238 HydrophobicContact CD2-CG2 4.17Å; W1119-V1238 HydrophobicContact CE3-CB 4.32Å; W1119-V1238 HydrophobicContact CE3-CG2 3.79Å; W1119-V1238 HydrophobicContact CG-CG2 4.39Å; P1234-V1238 WeakPolarHBondContact O-CG2 3.45Å; P1234-V1238 PolarHBondContact O-N 2.96Å; F1235-V1238 PolarHBondContact O-N 3.01Å; E1236-V1238 VanDerWaalsContact C-N 3.35Å; V1238-R1272 PolarHBondContact O-NH2 3.4Å
1239	Y	89.6	Confident	84	Confident	111 Å²	111	49.6 Å²	49.6	44%	0.435	24%	0.241	S	C	.	.	H	α-helix	trans	-98.8	-5.6	-168.6	-60.1	-75	0	0	0	115.5	W1119 F1235 R1241	W1119-Y1239 AromaticContact CH2-CE2 3.72Å; W1119-Y1239 HydrophobicContact CH2-CE2 3.72Å; W1119-Y1239 HydrophobicContact CZ3-CD2 4.47Å; W1119-Y1239 AromaticContact CZ3-CE2 3.82Å; W1119-Y1239 HydrophobicContact CZ3-CE2 3.82Å; F1235-Y1239 AromaticContact CD1-CD2 3.7Å; F1235-Y1239 HydrophobicContact CD1-CD2 3.7Å; F1235-Y1239 HydrophobicContact CD1-CG 4.38Å; F1235-Y1239 AromaticContact CD2-CD2 3.77Å; F1235-Y1239 HydrophobicContact CD2-CD2 3.77Å; F1235-Y1239 AromaticContact CD2-CE2 3.84Å; F1235-Y1239 HydrophobicContact CD2-CE2 3.84Å; F1235-Y1239 AromaticContact CE1-CD2 3.65Å; F1235-Y1239 HydrophobicContact CE1-CD2 3.65Å; F1235-Y1239 HydrophobicContact CE1-CE2 4.44Å; F1235-Y1239 HydrophobicContact CE1-CG 4.09Å; F1235-Y1239 AromaticContact CE2-CD2 3.72Å; F1235-Y1239 HydrophobicContact CE2-CD2 3.72Å; F1235-Y1239 AromaticContact CE2-CE2 3.69Å; F1235-Y1239 HydrophobicContact CE2-CE2 3.69Å; F1235-Y1239 AromaticContact CG-CD2 3.75Å; F1235-Y1239 HydrophobicContact CG-CD2 3.75Å; F1235-Y1239 HydrophobicContact CG-CE2 4.28Å; F1235-Y1239 AromaticContact CZ-CD2 3.66Å; F1235-Y1239 HydrophobicContact CZ-CD2 3.66Å; F1235-Y1239 HydrophobicContact CZ-CE2 4.02Å; F1235-Y1239 HydrophobicContact CZ-CG 4.27Å; F1235-Y1239 PolarHBondContact O-N 3.47Å; Y1239-R1241 PolarHBondContact O-N 3.39Å; Y1239-R1241 VanDerWaalsContact O-N 3.16Å
1240	G	86.4	Confident	82.3	Confident	12 Å²	12	50.2 Å²	50.2	12%	0.124	24%	0.244	C	C	.	.	S	Bend	trans	74.5	-5.1	179.9	0	0	0	0	0	116.2	E1236	E1236-G1240 WeakPolarHBondContact O-CA 2.95Å; E1236-G1240 PolarHBondContact O-N 3.35Å
1241	R	82.9	Confident	80.2	Confident	144 Å²	144	54.9 Å²	54.9	54%	0.543	27%	0.269	S	S	.	.	S	Bend	trans	-125.9	163.1	177.6	65.4	180	-175.7	98	-10.3	111.2	F1235 E1236 Y1239	F1235-R1241 WeakPolarHBondContact CD1-O 3.18Å; F1235-R1241 HydrophobicContact CE1-CG 4.3Å; E1236-R1241 WeakPolarHBondContact CA-O 3.42Å; Y1239-R1241 PolarHBondContact O-N 3.39Å; Y1239-R1241 VanDerWaalsContact O-N 3.16Å
1242	V	83.4	Confident	78.1	Confident	70 Å²	70	53.8 Å²	53.8	42%	0.424	28%	0.281	S	S	.	.			trans	-70	150.7	168.9	-169	0	0	0	0	109.2	E1236 M1244	E1236-V1242 HydrophobicContact CG-CG2 4.27Å; V1242-M1244 PolarHBondContact O-N 3.48Å
1243	A	83.4	Confident	76.2	Confident	6 Å²	6	58.6 Å²	58.6	5%	0.05	30%	0.299	C	S	.	.			trans	-72.5	124	168.1	0	0	0	0	0	109.9	T1224 F1235 L1245	T1224-A1243 HydrophobicContact CG2-CB 3.45Å; T1224-A1243 VanDerWaalsContact CG2-CB 3.45Å; F1235-A1243 HydrophobicContact CB-CB 4.36Å; F1235-A1243 HydrophobicContact CD1-CB 3.73Å; F1235-A1243 HydrophobicContact CD2-CB 3.9Å; F1235-A1243 HydrophobicContact CE1-CB 3.88Å; F1235-A1243 HydrophobicContact CE2-CB 4.04Å; F1235-A1243 HydrophobicContact CG-CB 3.74Å; F1235-A1243 HydrophobicContact CZ-CB 4.04Å; A1243-L1245 HydrophobicContact CB-CD2 4.23Å
1244	M	79.3	Confident	74	Confident	105 Å²	105	62.3 Å²	62.3	52%	0.517	32%	0.323	S	S	.	.			trans	-76.5	115.9	162.2	178	-178.9	-77.4	0	0	107.1	V1242 E1248	V1242-M1244 PolarHBondContact O-N 3.48Å; M1244-E1248 HydrophobicContact CG-CB 4.28Å
1245	L	79.9	Confident	71.8	Confident	23 Å²	23	74 Å²	74	12%	0.12	37%	0.367	C	S	.	.			trans	-86	164.2	174	-59	-167.7	0	0	0	110.9	R6 L1220 T1224 A1243 E1247 E1248 S1249	R6-L1245 VanDerWaalsContact NH1-CD1 3.33Å; L1220-L1245 HydrophobicContact CD1-CD2 4.11Å; L1220-L1245 HydrophobicContact CD2-CD2 4.38Å; L1220-L1245 HydrophobicContact CG-CD2 4.36Å; T1224-L1245 HydrophobicContact CG2-CD2 4.17Å; A1243-L1245 HydrophobicContact CB-CD2 4.23Å; L1245-E1247 PolarHBondContact O-N 2.72Å; L1245-E1248 WeakPolarHBondContact CB-OE2 3.42Å; L1245-E1248 PolarHBondContact N-OE2 3.29Å; L1245-E1248 PolarHBondContact O-N 2.83Å; L1245-S1249 PolarHBondContact O-N 3.02Å; L1245-S1249 VanDerWaalsContact O-N 3.13Å
1246	P	66.7	Low	69.8	Low	66 Å²	66	78.5 Å²	78.5	43%	0.429	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-13.5	175	-26	36	0	0	0	115.1	S1249	P1246-S1249 PolarHBondContact O-OG 3.43Å
1247	E	61.9	Low	67.8	Low	134 Å²	134	83.4 Å²	83.4	63%	0.626	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-9.9	173.3	-58.2	-178.7	161.2	0	0	113.3	L1245 C1250	L1245-E1247 PolarHBondContact O-N 2.72Å; E1247-C1250 PolarHBondContact O-SG 2.7Å
1248	E	63.6	Low	66.2	Low	25 Å²	25	88.9 Å²	88.9	12%	0.117	46%	0.463	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-23.6	-177.6	-70.2	165.7	129.3	0	0	112.8	R6 M1244 L1245 C1250 L1251	R6-E1248 IonicContact CZ-OE1 3.91Å; R6-E1248 IonicContact CZ-OE2 3.53Å; R6-E1248 IonicContact NE-OE1 3.81Å; R6-E1248 IonicContact NH1-OE1 3.25Å; R6-E1248 PolarHBondContact NH1-OE1 2.73Å; R6-E1248 IonicContact NH1-OE2 2.88Å; R6-E1248 PolarHBondContact NH1-OE2 3.26Å; R6-E1248 IonicContact NH2-OE1 2.72Å; R6-E1248 PolarHBondContact NH2-OE1 2.73Å; R6-E1248 IonicContact NH2-OE2 3.83Å; R6-E1248 PolarHBondContact NH2-OE2 3.14Å; M1244-E1248 HydrophobicContact CG-CB 4.28Å; L1245-E1248 WeakPolarHBondContact CB-OE2 3.42Å; L1245-E1248 PolarHBondContact N-OE2 3.29Å; L1245-E1248 PolarHBondContact O-N 2.83Å; E1248-C1250 PolarHBondContact O-N 3.11Å; E1248-L1251 WeakPolarHBondContact O-CB 3.47Å; E1248-L1251 PolarHBondContact O-N 2.85Å
1249	S	65.8	Low	65	Low	41 Å²	41	91.3 Å²	91.3	29%	0.287	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-34.8	172.3	47.7	0	0	0	0	112.4	S93 L1245 P1246 L1251	S93-S1249 WeakPolarHBondContact CB-O 3.39Å; L1245-S1249 PolarHBondContact O-N 3.02Å; L1245-S1249 VanDerWaalsContact O-N 3.13Å; P1246-S1249 PolarHBondContact O-OG 3.43Å; S1249-L1251 VanDerWaalsContact C-N 3.27Å; S1249-L1251 PolarHBondContact O-N 3.46Å
1250	C	50.6	Low	64.5	Low	36 Å²	36	90.2 Å²	90.2	24%	0.243	48%	0.481	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-6.9	176.6	69.4	0	0	0	0	115	S93 F94 E1247 E1248	S93-C1250 WeakPolarHBondContact O-CA 3.49Å; S93-C1250 VanDerWaalsContact O-CB 3.32Å; S93-C1250 WeakPolarHBondContact O-CB 3.4Å; F94-C1250 HydrophobicContact CD1-CB 4.24Å; F94-C1250 HydrophobicContact CD2-CB 4.25Å; F94-C1250 HydrophobicContact CE1-CB 3.95Å; F94-C1250 HydrophobicContact CE2-CB 3.99Å; F94-C1250 HydrophobicContact CG-CB 4.38Å; F94-C1250 HydrophobicContact CZ-CB 3.83Å; E1247-C1250 PolarHBondContact O-SG 2.7Å; E1248-C1250 PolarHBondContact O-N 3.11Å
1251	L	45.4	Very low	64.3	Low	98 Å²	98	95.9 Å²	95.9	51%	0.513	50%	0.504	S	S	.	.	S	Bend	trans	-95	142.8	177.7	-60.3	176.5	0	0	0	110.7	E1248 S1249 W1253	E1248-L1251 WeakPolarHBondContact O-CB 3.47Å; E1248-L1251 PolarHBondContact O-N 2.85Å; S1249-L1251 VanDerWaalsContact C-N 3.27Å; S1249-L1251 PolarHBondContact O-N 3.46Å; L1251-W1253 VanDerWaalsContact C-N 3.3Å; L1251-W1253 PolarHBondContact O-N 2.95Å
1252	P	47.6	Very low	64.3	Low	129 Å²	129	93.7 Å²	93.7	84%	0.838	50%	0.499	S	S	*	.			trans	-71.7	85.1	174.1	30.5	-34.4	0	0	0	110.3
1253	W	52.8	Low	64.3	Low	132 Å²	132	92.9 Å²	92.9	50%	0.5	50%	0.495	S	S	.	.			trans	-62.4	141.9	174.8	-159.2	-100.6	0	0	0	110.4	L1251 R1255 D1256	L1251-W1253 VanDerWaalsContact C-N 3.3Å; L1251-W1253 PolarHBondContact O-N 2.95Å; W1253-R1255 PolarHBondContact O-N 3.33Å; W1253-D1256 PolarHBondContact NE1-OD2 2.98Å
1254	P	46.6	Very low	64.3	Low	91 Å²	91	96.4 Å²	96.4	59%	0.591	51%	0.509	S	S	*	.			trans	-52.5	142.2	170.5	-25.7	34.9	0	0	0	110.9	D1256	P1254-D1256 PolarHBondContact O-N 3.27Å
1255	R	49.6	Very low	64.6	Low	244 Å²	244	95 Å²	95	92%	0.921	50%	0.5	S	S	*	.			trans	-71	88.8	166.6	-66.3	-172	-171.4	-173.1	4	107.6	W1253 V1257	W1253-R1255 PolarHBondContact O-N 3.33Å; R1255-V1257 PolarHBondContact O-N 3.4Å
1256	D	51.5	Low	65	Low	127 Å²	127	100 Å²	100	68%	0.679	52%	0.523	S	S	*	.			trans	-48.3	117	172.2	-80.5	-46.3	0	0	0	108.5	W1253 P1254 S1258	W1253-D1256 PolarHBondContact NE1-OD2 2.98Å; P1254-D1256 PolarHBondContact O-N 3.27Å; D1256-S1258 PolarHBondContact O-N 2.94Å; D1256-S1258 VanDerWaalsContact O-N 3.11Å
1257	V	51.1	Low	65.9	Low	129 Å²	129	100.6 Å²	100.6	78%	0.782	52%	0.52	S	S	*	.			trans	-60.6	119.7	178	178.4	0	0	0	0	107	R1255 L1259	R1255-V1257 PolarHBondContact O-N 3.4Å; V1257-L1259 PolarHBondContact O-N 2.91Å
1258	S	59.2	Low	67.2	Low	115 Å²	115	95 Å²	95	80%	0.804	49%	0.494	S	S	*	.			trans	-55.8	105.7	-174.6	-170.3	0	0	0	0	110	D1256	D1256-S1258 PolarHBondContact O-N 2.94Å; D1256-S1258 VanDerWaalsContact O-N 3.11Å
1259	L	67.5	Low	68.5	Low	80 Å²	80	99.4 Å²	99.4	42%	0.419	52%	0.515	S	S	.	.			trans	-62	132.4	-179	-68.6	175.6	0	0	0	108.6	V1257 H1261 V1263 F1264	V1257-L1259 PolarHBondContact O-N 2.91Å; L1259-H1261 PolarHBondContact O-N 3.43Å; L1259-V1263 HydrophobicContact CD2-CG1 4.17Å; L1259-F1264 HydrophobicContact CB-CB 4.28Å
1260	P	79.7	Confident	69.7	Low	87 Å²	87	101.2 Å²	101.2	57%	0.565	52%	0.519	S	S	*	.			trans	-50.4	141.4	172.1	-27	34.6	0	0	0	110.5	E1262 V1263 F1264	P1260-E1262 PolarHBondContact O-N 2.97Å; P1260-V1263 HydrophobicContact CB-CG2 4.17Å; P1260-V1263 HydrophobicContact CG-CG2 4.32Å; P1260-V1263 WeakPolarHBondContact O-CA 3.24Å; P1260-V1263 WeakPolarHBondContact O-CB 3.19Å; P1260-V1263 PolarHBondContact O-N 2.73Å; P1260-F1264 PolarHBondContact O-N 2.93Å; P1260-F1264 VanDerWaalsContact O-N 3.08Å
1261	H	80.9	Confident	71.7	Confident	131 Å²	131	103 Å²	103	61%	0.606	52%	0.52	S	S	*	.	H	α-helix	trans	-50.3	-42.8	-169.3	178	81.5	0	0	0	113.1	L1259 F1264 K1265	L1259-H1261 PolarHBondContact O-N 3.43Å; H1261-F1264 PolarHBondContact O-N 2.83Å; H1261-K1265 WeakPolarHBondContact O-CB 3.07Å; H1261-K1265 PolarHBondContact O-N 3.05Å
1262	E	84.1	Confident	74	Confident	98 Å²	98	101.2 Å²	101.2	46%	0.458	51%	0.507	S	S	.	.	H	α-helix	trans	-64	-41.1	177	-60.9	-54.7	139.3	0	0	112.6	P1260 F1264 K1265 E1266	P1260-E1262 PolarHBondContact O-N 2.97Å; E1262-F1264 PolarHBondContact O-N 3.39Å; E1262-K1265 WeakPolarHBondContact O-CB 3.46Å; E1262-K1265 PolarHBondContact O-N 3.3Å; E1262-K1265 IonicContact OE1-NZ 3.86Å; E1262-K1265 PolarHBondContact OE1-NZ 3.32Å; E1262-K1265 WeakPolarHBondContact OE2-CD 3.5Å; E1262-K1265 VanDerWaalsContact OE2-CE 3.31Å; E1262-K1265 WeakPolarHBondContact OE2-CE 3.29Å; E1262-K1265 IonicContact OE2-NZ 3.59Å; E1262-K1265 PolarHBondContact OE2-NZ 2.8Å; E1262-E1266 WeakPolarHBondContact O-CB 3.39Å; E1262-E1266 WeakPolarHBondContact O-CG 3.17Å; E1262-E1266 PolarHBondContact O-N 3.05Å
1263	V	82.6	Confident	76.1	Confident	54 Å²	54	101.5 Å²	101.5	33%	0.327	50%	0.495	S	S	.	.	H	α-helix	trans	-64.6	-42.7	177	-179.8	0	0	0	0	111.4	L1259 P1260 Q1267	L1259-V1263 HydrophobicContact CD2-CG1 4.17Å; P1260-V1263 HydrophobicContact CB-CG2 4.17Å; P1260-V1263 HydrophobicContact CG-CG2 4.32Å; P1260-V1263 WeakPolarHBondContact O-CA 3.24Å; P1260-V1263 WeakPolarHBondContact O-CB 3.19Å; P1260-V1263 PolarHBondContact O-N 2.73Å; V1263-Q1267 WeakPolarHBondContact O-CB 3.38Å; V1263-Q1267 WeakPolarHBondContact O-CG 3.43Å; V1263-Q1267 PolarHBondContact O-N 2.69Å
1264	F	84.3	Confident	78	Confident	79 Å²	79	98.9 Å²	98.9	35%	0.346	49%	0.488	S	S	.	.	H	α-helix	trans	-61.3	-45.6	174.2	170.6	-98.3	0	0	0	111.7	L1259 P1260 H1261 E1262 Q1267 L1268	L1259-F1264 HydrophobicContact CB-CB 4.28Å; P1260-F1264 PolarHBondContact O-N 2.93Å; P1260-F1264 VanDerWaalsContact O-N 3.08Å; H1261-F1264 PolarHBondContact O-N 2.83Å; E1262-F1264 PolarHBondContact O-N 3.39Å; F1264-Q1267 PolarHBondContact O-N 2.76Å; F1264-L1268 HydrophobicContact CE1-CD2 4.09Å; F1264-L1268 HydrophobicContact CZ-CD2 4.08Å; F1264-L1268 VanDerWaalsContact O-CB 3.32Å; F1264-L1268 WeakPolarHBondContact O-CB 3.42Å; F1264-L1268 PolarHBondContact O-N 2.64Å
1265	K	85.8	Confident	80.2	Confident	76 Å²	76	94.5 Å²	94.5	33%	0.33	46%	0.46	S	S	.	.	H	α-helix	trans	-64.1	-43.3	179.9	173.4	176.8	160.4	-158.4	0	112	H1261 E1262 Q1269	H1261-K1265 WeakPolarHBondContact O-CB 3.07Å; H1261-K1265 PolarHBondContact O-N 3.05Å; E1262-K1265 WeakPolarHBondContact O-CB 3.46Å; E1262-K1265 PolarHBondContact O-N 3.3Å; E1262-K1265 IonicContact OE1-NZ 3.86Å; E1262-K1265 PolarHBondContact OE1-NZ 3.32Å; E1262-K1265 WeakPolarHBondContact OE2-CD 3.5Å; E1262-K1265 VanDerWaalsContact OE2-CE 3.31Å; E1262-K1265 WeakPolarHBondContact OE2-CE 3.29Å; E1262-K1265 IonicContact OE2-NZ 3.59Å; E1262-K1265 PolarHBondContact OE2-NZ 2.8Å; K1265-Q1269 WeakPolarHBondContact O-CB 3.26Å; K1265-Q1269 VanDerWaalsContact O-CG 3.26Å; K1265-Q1269 WeakPolarHBondContact O-CG 3.5Å; K1265-Q1269 PolarHBondContact O-N 3.26Å
1266	E	87.2	Confident	82.3	Confident	127 Å²	127	86.5 Å²	86.5	59%	0.593	43%	0.43	S	S	*	.	H	α-helix	trans	-63.8	-49.7	173.3	-76.6	-176	160.7	0	0	111.9	E1262 L1268 Q1269 Q1270	E1262-E1266 WeakPolarHBondContact O-CB 3.39Å; E1262-E1266 WeakPolarHBondContact O-CG 3.17Å; E1262-E1266 PolarHBondContact O-N 3.05Å; E1266-L1268 VanDerWaalsContact C-N 3.31Å; E1266-L1268 PolarHBondContact O-N 2.93Å; E1266-Q1269 PolarHBondContact O-N 3.43Å; E1266-Q1270 WeakPolarHBondContact O-CB 3.36Å; E1266-Q1270 PolarHBondContact O-N 3.39Å
1267	Q	85.8	Confident	84.2	Confident	80 Å²	80	83 Å²	83	37%	0.374	41%	0.413	S	S	.	.	H	α-helix	trans	-58.1	-43.3	177.4	-75.5	-172	33.2	0	0	111.8	V1263 F1264 Q1270 R1271	V1263-Q1267 WeakPolarHBondContact O-CB 3.38Å; V1263-Q1267 WeakPolarHBondContact O-CG 3.43Å; V1263-Q1267 PolarHBondContact O-N 2.69Å; F1264-Q1267 PolarHBondContact O-N 2.76Å; Q1267-Q1270 PolarHBondContact O-N 3.37Å; Q1267-R1271 WeakPolarHBondContact O-CG 3.2Å; Q1267-R1271 PolarHBondContact O-N 3.16Å
1268	L	90.2	Very high	86	Confident	17 Å²	17	78.6 Å²	78.6	9%	0.089	39%	0.385	C	S	.	.	H	α-helix	trans	-66.6	-40.6	178.1	-179.5	49.6	0	0	0	112.2	F1264 E1266 R1272	F1264-L1268 HydrophobicContact CE1-CD2 4.09Å; F1264-L1268 HydrophobicContact CZ-CD2 4.08Å; F1264-L1268 VanDerWaalsContact O-CB 3.32Å; F1264-L1268 WeakPolarHBondContact O-CB 3.42Å; F1264-L1268 PolarHBondContact O-N 2.64Å; E1266-L1268 VanDerWaalsContact C-N 3.31Å; E1266-L1268 PolarHBondContact O-N 2.93Å; L1268-R1272 HydrophobicContact CD1-CG 4.35Å; L1268-R1272 WeakPolarHBondContact O-CB 3.47Å; L1268-R1272 WeakPolarHBondContact O-CD 3.5Å; L1268-R1272 VanDerWaalsContact O-CG 3.23Å; L1268-R1272 WeakPolarHBondContact O-CG 3.42Å; L1268-R1272 PolarHBondContact O-N 2.92Å; L1268-R1272 VanDerWaalsContact O-N 3.09Å
1269	Q	90.2	Very high	87.4	Confident	117 Å²	117	73.3 Å²	73.3	55%	0.547	35%	0.348	S	S	.	.	H	α-helix	trans	-63.5	-42.6	173	-74.4	180	36.3	0	0	112	K1265 E1266 R1272 K1273	K1265-Q1269 WeakPolarHBondContact O-CB 3.26Å; K1265-Q1269 VanDerWaalsContact O-CG 3.26Å; K1265-Q1269 WeakPolarHBondContact O-CG 3.5Å; K1265-Q1269 PolarHBondContact O-N 3.26Å; E1266-Q1269 PolarHBondContact O-N 3.43Å; Q1269-R1272 PolarHBondContact O-N 3.26Å; Q1269-K1273 WeakPolarHBondContact O-CB 3.47Å; Q1269-K1273 PolarHBondContact O-N 2.95Å
1270	Q	91.2	Very high	88.4	Confident	79 Å²	79	72.6 Å²	72.6	37%	0.369	34%	0.344	S	S	.	.	H	α-helix	trans	-65.5	-45.9	178.6	179.9	60.6	19.6	0	0	111.8	E1266 Q1267 R1272 K1273 E1274	E1266-Q1270 WeakPolarHBondContact O-CB 3.36Å; E1266-Q1270 PolarHBondContact O-N 3.39Å; Q1267-Q1270 PolarHBondContact O-N 3.37Å; Q1270-R1272 VanDerWaalsContact C-N 3.3Å; Q1270-R1272 PolarHBondContact O-N 3Å; Q1270-K1273 WeakPolarHBondContact O-CB 3.19Å; Q1270-K1273 PolarHBondContact O-N 3.42Å; Q1270-K1273 VanDerWaalsContact O-N 3.15Å; Q1270-E1274 WeakPolarHBondContact CG-OE1 3.24Å; Q1270-E1274 PolarHBondContact NE2-OE1 2.94Å; Q1270-E1274 WeakPolarHBondContact O-CG 3.41Å; Q1270-E1274 PolarHBondContact O-N 3.44Å
1271	R	92	Very high	88.8	Confident	73 Å²	73	76.6 Å²	76.6	28%	0.275	35%	0.348	S	S	.	.	H	α-helix	trans	-58.7	-39.5	173.6	-69.3	-178.2	-163.6	-166.5	9.1	112.2	F1232 L1237 Q1267 E1274 A1275	F1232-R1271 HydrophobicContact CE1-CB 4.18Å; F1232-R1271 HydrophobicContact CE1-CG 3.82Å; F1232-R1271 HydrophobicContact CE2-CB 4.41Å; F1232-R1271 HydrophobicContact CZ-CB 4.05Å; F1232-R1271 HydrophobicContact CZ-CG 3.95Å; L1237-R1271 HydrophobicContact CD2-CB 4.19Å; Q1267-R1271 WeakPolarHBondContact O-CG 3.2Å; Q1267-R1271 PolarHBondContact O-N 3.16Å; R1271-E1274 PolarHBondContact O-N 3.33Å; R1271-A1275 WeakPolarHBondContact O-CB 3.42Å; R1271-A1275 PolarHBondContact O-N 3.05Å
1272	R	94.1	Very high	88.9	Confident	60 Å²	60	72.8 Å²	72.8	23%	0.226	34%	0.336	C	S	.	.	H	α-helix	trans	-65.1	-41.6	174.9	-73	166.4	175.7	173.5	0.4	112.4	L1237 V1238 L1268 Q1269 Q1270 A1275 R1276	L1237-R1272 HydrophobicContact CD2-CG 4.4Å; L1237-R1272 VanDerWaalsContact O-CZ 3.29Å; L1237-R1272 PolarHBondContact O-NE 3.44Å; L1237-R1272 PolarHBondContact O-NH2 3.15Å; V1238-R1272 PolarHBondContact O-NH2 3.4Å; L1268-R1272 HydrophobicContact CD1-CG 4.35Å; L1268-R1272 WeakPolarHBondContact O-CB 3.47Å; L1268-R1272 WeakPolarHBondContact O-CD 3.5Å; L1268-R1272 VanDerWaalsContact O-CG 3.23Å; L1268-R1272 WeakPolarHBondContact O-CG 3.42Å; L1268-R1272 PolarHBondContact O-N 2.92Å; L1268-R1272 VanDerWaalsContact O-N 3.09Å; Q1269-R1272 PolarHBondContact O-N 3.26Å; Q1270-R1272 VanDerWaalsContact C-N 3.3Å; Q1270-R1272 PolarHBondContact O-N 3Å; R1272-A1275 PolarHBondContact O-N 3.46Å; R1272-R1276 WeakPolarHBondContact O-CB 3.2Å; R1272-R1276 PolarHBondContact O-N 3.38Å
1273	K	92	Very high	88.8	Confident	136 Å²	136	70 Å²	70	59%	0.591	32%	0.323	S	S	*	.	H	α-helix	trans	-64.4	-38	175	-178.5	-179.8	170.2	-166	0	112.2	Q1269 Q1270 T1277	Q1269-K1273 WeakPolarHBondContact O-CB 3.47Å; Q1269-K1273 PolarHBondContact O-N 2.95Å; Q1270-K1273 WeakPolarHBondContact O-CB 3.19Å; Q1270-K1273 PolarHBondContact O-N 3.42Å; Q1270-K1273 VanDerWaalsContact O-N 3.15Å; K1273-T1277 WeakPolarHBondContact O-CB 3.46Å; K1273-T1277 PolarHBondContact O-N 3.42Å; K1273-T1277 PolarHBondContact O-OG1 3.02Å
1274	E	92.5	Very high	88.8	Confident	76 Å²	76	70.3 Å²	70.3	36%	0.355	33%	0.332	S	S	.	.	H	α-helix	trans	-69.6	-47.2	173.3	-73.6	173.6	-162.8	0	0	112.2	F1232 Q1270 R1271 R1276 T1277 N1278	F1232-E1274 HydrophobicContact CE2-CB 4.03Å; F1232-E1274 HydrophobicContact CZ-CB 4.43Å; Q1270-E1274 WeakPolarHBondContact CG-OE1 3.24Å; Q1270-E1274 PolarHBondContact NE2-OE1 2.94Å; Q1270-E1274 WeakPolarHBondContact O-CG 3.41Å; Q1270-E1274 PolarHBondContact O-N 3.44Å; R1271-E1274 PolarHBondContact O-N 3.33Å; E1274-R1276 VanDerWaalsContact C-N 3.26Å; E1274-R1276 PolarHBondContact O-N 2.83Å; E1274-T1277 CarbonylContact O-C 3.51Å; E1274-T1277 WeakPolarHBondContact O-CA 3.29Å; E1274-T1277 WeakPolarHBondContact O-CB 3.22Å; E1274-T1277 PolarHBondContact O-N 2.87Å; E1274-N1278 WeakPolarHBondContact O-CB 3.24Å; E1274-N1278 PolarHBondContact O-N 3.07Å; E1274-N1278 PolarHBondContact O-ND2 3.04Å
1275	A	92.3	Very high	88.6	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-55.6	-41.3	174.9	0	0	0	0	0	112.1	T1230 F1232 L1237 R1271 R1272 N1278 C1279	T1230-A1275 HydrophobicContact CG2-CB 4.1Å; F1232-A1275 HydrophobicContact CD2-CB 4.05Å; F1232-A1275 HydrophobicContact CE2-CB 4.48Å; L1237-A1275 HydrophobicContact CD1-CB 3.63Å; L1237-A1275 HydrophobicContact CD2-CB 3.87Å; L1237-A1275 HydrophobicContact CG-CB 4.44Å; R1271-A1275 WeakPolarHBondContact O-CB 3.42Å; R1271-A1275 PolarHBondContact O-N 3.05Å; R1272-A1275 PolarHBondContact O-N 3.46Å; A1275-N1278 PolarHBondContact O-N 3.35Å; A1275-C1279 WeakPolarHBondContact O-CB 3.04Å; A1275-C1279 PolarHBondContact O-N 3.04Å; A1275-C1279 PolarHBondContact O-SG 3.48Å; A1275-C1279 VanDerWaalsContact O-SG 3.32Å
1276	R	93.3	Very high	88.2	Confident	75 Å²	75	70 Å²	70	28%	0.283	34%	0.343	S	S	.	.	H	α-helix	trans	-62	-46.1	172.8	-169.9	173.1	-171.5	-103.8	-4.2	112.1	P1083 P1084 L1116 R1272 E1274 C1279 L1280	P1083-R1276 HydrophobicContact CB-CG 4.35Å; P1083-R1276 PolarHBondContact O-NE 3.16Å; P1083-R1276 VanDerWaalsContact O-NE 3.1Å; P1083-R1276 PolarHBondContact O-NH2 2.97Å; P1084-R1276 VanDerWaalsContact O-CD 3.23Å; P1084-R1276 WeakPolarHBondContact O-CD 3.41Å; P1084-R1276 PolarHBondContact O-NE 2.86Å; L1116-R1276 HydrophobicContact CD1-CB 3.73Å; L1116-R1276 HydrophobicContact CD1-CG 4.29Å; R1272-R1276 WeakPolarHBondContact O-CB 3.2Å; R1272-R1276 PolarHBondContact O-N 3.38Å; E1274-R1276 VanDerWaalsContact C-N 3.26Å; E1274-R1276 PolarHBondContact O-N 2.83Å; R1276-C1279 PolarHBondContact O-N 2.74Å; R1276-L1280 HydrophobicContact CG-CD1 4.41Å; R1276-L1280 WeakPolarHBondContact O-CG 3.3Å; R1276-L1280 PolarHBondContact O-N 3.07Å
1277	T	91.3	Very high	87.7	Confident	55 Å²	55	67.5 Å²	67.5	34%	0.337	33%	0.33	S	S	.	.	H	α-helix	trans	-62.6	-42.3	178	-60.3	0	0	0	0	111.9	K1273 E1274 L1280 R1281	K1273-T1277 WeakPolarHBondContact O-CB 3.46Å; K1273-T1277 PolarHBondContact O-N 3.42Å; K1273-T1277 PolarHBondContact O-OG1 3.02Å; E1274-T1277 CarbonylContact O-C 3.51Å; E1274-T1277 WeakPolarHBondContact O-CA 3.29Å; E1274-T1277 WeakPolarHBondContact O-CB 3.22Å; E1274-T1277 PolarHBondContact O-N 2.87Å; T1277-L1280 PolarHBondContact O-N 2.89Å; T1277-R1281 WeakPolarHBondContact O-CG 3.37Å; T1277-R1281 PolarHBondContact O-N 3.36Å
1278	N	90.9	Very high	87.3	Confident	36 Å²	36	72.1 Å²	72.1	19%	0.193	35%	0.349	C	S	.	.	H	α-helix	trans	-65.9	-40.6	176.2	-71	-23	0	0	0	111.5	S1229 T1230 E1274 A1275 L1280 R1281 S1282	S1229-N1278 CarbonylContact O-C 3.43Å; S1229-N1278 WeakPolarHBondContact O-CB 3.48Å; T1230-N1278 PolarHBondContact O-ND2 2.99Å; E1274-N1278 WeakPolarHBondContact O-CB 3.24Å; E1274-N1278 PolarHBondContact O-N 3.07Å; E1274-N1278 PolarHBondContact O-ND2 3.04Å; A1275-N1278 PolarHBondContact O-N 3.35Å; N1278-L1280 PolarHBondContact O-N 3.21Å; N1278-R1281 PolarHBondContact O-N 3.1Å; N1278-S1282 WeakPolarHBondContact O-CB 3.29Å; N1278-S1282 PolarHBondContact O-N 3.34Å
1279	C	87.5	Confident	86.3	Confident	3 Å²	3	78 Å²	78	2%	0.02	37%	0.371	C	S	.	.	H	α-helix	trans	-61.7	-43.8	173.4	-77	0	0	0	0	112	P1083 K1118 S1229 A1275 R1276 S1282 Q1283	P1083-C1279 HydrophobicContact CB-CB 4.29Å; P1083-C1279 HydrophobicContact CG-CB 3.55Å; K1118-C1279 WeakPolarHBondContact CE-SG 3.25Å; K1118-C1279 PolarHBondContact NZ-SG 3.15Å; K1118-C1279 VanDerWaalsContact NZ-SG 3.4Å; S1229-C1279 WeakPolarHBondContact O-CA 3.46Å; S1229-C1279 PolarHBondContact O-N 3.35Å; S1229-C1279 VanDerWaalsContact O-N 3.07Å; S1229-C1279 PolarHBondContact O-SG 3.5Å; S1229-C1279 VanDerWaalsContact O-SG 3.41Å; A1275-C1279 WeakPolarHBondContact O-CB 3.04Å; A1275-C1279 PolarHBondContact O-N 3.04Å; A1275-C1279 PolarHBondContact O-SG 3.48Å; A1275-C1279 VanDerWaalsContact O-SG 3.32Å; R1276-C1279 PolarHBondContact O-N 2.74Å; C1279-S1282 PolarHBondContact O-N 3.04Å; C1279-Q1283 WeakPolarHBondContact O-CB 3.23Å; C1279-Q1283 WeakPolarHBondContact O-CG 3.44Å; C1279-Q1283 PolarHBondContact O-N 2.82Å
1280	L	89.2	Confident	85.1	Confident	66 Å²	66	74.2 Å²	74.2	35%	0.346	35%	0.352	S	S	.	.	H	α-helix	trans	-62.9	-44.6	176.6	-72.5	167.4	0	0	0	112	V1082 R1276 T1277 N1278 S1282 Q1283 A1284	V1082-L1280 HydrophobicContact CG1-CD2 4.35Å; R1276-L1280 HydrophobicContact CG-CD1 4.41Å; R1276-L1280 WeakPolarHBondContact O-CG 3.3Å; R1276-L1280 PolarHBondContact O-N 3.07Å; T1277-L1280 PolarHBondContact O-N 2.89Å; N1278-L1280 PolarHBondContact O-N 3.21Å; L1280-S1282 VanDerWaalsContact C-N 3.35Å; L1280-S1282 PolarHBondContact O-N 3.27Å; L1280-Q1283 PolarHBondContact O-N 3.39Å; L1280-A1284 WeakPolarHBondContact O-CB 3.26Å; L1280-A1284 PolarHBondContact O-N 3.09Å
1281	R	87.4	Confident	84.4	Confident	170 Å²	170	71.9 Å²	71.9	64%	0.642	34%	0.342	S	S	*	.	H	α-helix	trans	-59.1	-44.3	173.9	-73.3	168.8	172.1	172	-4.5	111.7	T1277 N1278 A1284 A1285	T1277-R1281 WeakPolarHBondContact O-CG 3.37Å; T1277-R1281 PolarHBondContact O-N 3.36Å; N1278-R1281 PolarHBondContact O-N 3.1Å; R1281-A1284 PolarHBondContact O-N 3.41Å; R1281-A1285 PolarHBondContact O-N 3.32Å
1282	S	83	Confident	83.3	Confident	51 Å²	51	70.8 Å²	70.8	36%	0.357	35%	0.353	S	S	.	.	H	α-helix	trans	-63.6	-45	177.9	-170.1	0	0	0	0	112.1	N1278 C1279 L1280 A1285 Q1286	N1278-S1282 WeakPolarHBondContact O-CB 3.29Å; N1278-S1282 PolarHBondContact O-N 3.34Å; C1279-S1282 PolarHBondContact O-N 3.04Å; L1280-S1282 VanDerWaalsContact C-N 3.35Å; L1280-S1282 PolarHBondContact O-N 3.27Å; S1282-A1285 PolarHBondContact O-N 3.11Å; S1282-Q1286 WeakPolarHBondContact O-CB 3.49Å; S1282-Q1286 PolarHBondContact O-N 2.68Å
1283	Q	82.9	Confident	81.9	Confident	41 Å²	41	75 Å²	75	19%	0.192	37%	0.369	C	S	.	.	H	α-helix	trans	-62.3	-42.8	174.4	-73.5	-179	0.4	0	0	112.4	I1081 C1279 L1280 A1285 Q1286 K1287	I1081-Q1283 PolarHBondContact O-NE2 2.94Å; I1081-Q1283 PolarHBondContact O-OE1 3.39Å; C1279-Q1283 WeakPolarHBondContact O-CB 3.23Å; C1279-Q1283 WeakPolarHBondContact O-CG 3.44Å; C1279-Q1283 PolarHBondContact O-N 2.82Å; L1280-Q1283 PolarHBondContact O-N 3.39Å; Q1283-A1285 PolarHBondContact O-N 2.9Å; Q1283-Q1286 PolarHBondContact O-N 3.32Å; Q1283-K1287 VanDerWaalsContact O-CB 3.26Å; Q1283-K1287 WeakPolarHBondContact O-CB 3.46Å; Q1283-K1287 PolarHBondContact O-N 3.41Å
1284	A	82.2	Confident	80.7	Confident	60 Å²	60	71.3 Å²	71.3	50%	0.496	35%	0.351	S	S	.	.	H	α-helix	trans	-62.6	-42.1	177.2	0	0	0	0	0	112.3	L1280 R1281 K1287 K1288	L1280-A1284 WeakPolarHBondContact O-CB 3.26Å; L1280-A1284 PolarHBondContact O-N 3.09Å; R1281-A1284 PolarHBondContact O-N 3.41Å; A1284-K1287 PolarHBondContact O-N 2.9Å; A1284-K1288 WeakPolarHBondContact O-CB 3.48Å; A1284-K1288 PolarHBondContact O-N 3.38Å
1285	A	79.5	Confident	79.3	Confident	61 Å²	61	73.1 Å²	73.1	50%	0.504	36%	0.355	S	S	.	.	H	α-helix	trans	-64.5	-45.7	174.5	0	0	0	0	0	112.1	R1281 S1282 Q1283 K1287 K1288 Y1289	R1281-A1285 PolarHBondContact O-N 3.32Å; S1282-A1285 PolarHBondContact O-N 3.11Å; Q1283-A1285 PolarHBondContact O-N 2.9Å; A1285-K1287 VanDerWaalsContact C-N 3.33Å; A1285-K1287 PolarHBondContact O-N 3.14Å; A1285-K1288 PolarHBondContact O-N 3.16Å; A1285-Y1289 PolarHBondContact O-N 3.36Å; A1285-Y1289 VanDerWaalsContact O-N 3.1Å
1286	Q	76.8	Confident	77.8	Confident	88 Å²	88	78.4 Å²	78.4	41%	0.411	39%	0.387	S	S	.	.	H	α-helix	trans	-62.6	-39.8	177.1	-169.3	179.7	-6.4	0	0	111.7	L1078 S1282 Q1283 Y1290	L1078-Q1286 HydrophobicContact CD2-CB 4.45Å; L1078-Q1286 HydrophobicContact CD2-CG 4.07Å; S1282-Q1286 WeakPolarHBondContact O-CB 3.49Å; S1282-Q1286 PolarHBondContact O-N 2.68Å; Q1283-Q1286 PolarHBondContact O-N 3.32Å; Q1286-Y1290 VanDerWaalsContact O-CB 3.28Å; Q1286-Y1290 WeakPolarHBondContact O-CB 3.49Å; Q1286-Y1290 PolarHBondContact O-N 2.73Å
1287	K	78	Confident	76.1	Confident	73 Å²	73	75.4 Å²	75.4	32%	0.317	38%	0.379	S	S	.	.	H	α-helix	trans	-61.3	-52	173.7	178	166.4	175.2	54.5	0	111.4	L1078 Q1283 A1284 A1285 Y1289 Y1290 D1291	L1078-K1287 HydrophobicContact CB-CB 4.31Å; L1078-K1287 HydrophobicContact CB-CG 4.2Å; L1078-K1287 HydrophobicContact CD2-CB 4.22Å; L1078-K1287 WeakPolarHBondContact O-CD 3.46Å; L1078-K1287 PolarHBondContact O-NZ 2.95Å; Q1283-K1287 VanDerWaalsContact O-CB 3.26Å; Q1283-K1287 WeakPolarHBondContact O-CB 3.46Å; Q1283-K1287 PolarHBondContact O-N 3.41Å; A1284-K1287 PolarHBondContact O-N 2.9Å; A1285-K1287 VanDerWaalsContact C-N 3.33Å; A1285-K1287 PolarHBondContact O-N 3.14Å; K1287-Y1289 VanDerWaalsContact C-N 3.3Å; K1287-Y1289 PolarHBondContact O-N 3.09Å; K1287-Y1290 PolarHBondContact O-N 2.65Å; K1287-D1291 WeakPolarHBondContact CE-OD2 3.48Å; K1287-D1291 VanDerWaalsContact CG-OD2 3.25Å; K1287-D1291 WeakPolarHBondContact CG-OD2 3.45Å; K1287-D1291 IonicContact NZ-OD1 2.77Å; K1287-D1291 IonicContact NZ-OD2 3.71Å; K1287-D1291 PolarHBondContact NZ-OD2 3.08Å; K1287-D1291 VanDerWaalsContact O-CB 3.24Å; K1287-D1291 WeakPolarHBondContact O-CB 3.47Å; K1287-D1291 PolarHBondContact O-N 3.38Å
1288	K	76.5	Confident	74.8	Confident	177 Å²	177	76.5 Å²	76.5	77%	0.77	39%	0.386	S	S	*	.	H	α-helix	trans	-53.7	-44.7	177.8	-174.6	176.9	-179.5	178	0	112.5	A1284 A1285 G1292	A1284-K1288 WeakPolarHBondContact O-CB 3.48Å; A1284-K1288 PolarHBondContact O-N 3.38Å; A1285-K1288 PolarHBondContact O-N 3.16Å; K1288-G1292 PolarHBondContact O-N 2.88Å
1289	Y	69.5	Low	74.1	Confident	141 Å²	141	83.7 Å²	83.7	55%	0.553	41%	0.41	S	S	*	.	H	α-helix	trans	-70.4	-39.2	179.7	-179.3	-112.1	0	0	0	113.6	A1285 K1287 R1293	A1285-Y1289 PolarHBondContact O-N 3.36Å; A1285-Y1289 VanDerWaalsContact O-N 3.1Å; K1287-Y1289 VanDerWaalsContact C-N 3.3Å; K1287-Y1289 PolarHBondContact O-N 3.09Å; Y1289-R1293 VanDerWaalsContact CZ-CZ 3.41Å; Y1289-R1293 VanDerWaalsContact OH-CZ 3.25Å; Y1289-R1293 PolarHBondContact OH-NH1 3.38Å; Y1289-R1293 VanDerWaalsContact OH-NH1 3.07Å; Y1289-R1293 PolarHBondContact OH-NH2 3.08Å
1290	Y	65.8	Low	73.7	Confident	37 Å²	37	84.2 Å²	84.2	15%	0.145	41%	0.412	C	S	.	.	H	α-helix	trans	-70.6	-46.6	177.3	176.5	-80.7	0	0	0	111.8	L1078 Q1184 Q1286 K1287 G1292 R1293 R1294	L1078-Y1290 HydrophobicContact CB-CD1 3.57Å; L1078-Y1290 HydrophobicContact CB-CE1 3.87Å; L1078-Y1290 HydrophobicContact CB-CG 4.01Å; L1078-Y1290 HydrophobicContact CD1-CD1 4.36Å; L1078-Y1290 HydrophobicContact CD1-CD2 4.2Å; L1078-Y1290 HydrophobicContact CD1-CE1 4.26Å; L1078-Y1290 HydrophobicContact CD1-CE2 4.12Å; L1078-Y1290 HydrophobicContact CD1-CG 4.3Å; L1078-Y1290 HydrophobicContact CG-CD1 4.49Å; L1078-Y1290 VanDerWaalsContact N-CE1 3.34Å; Q1184-Y1290 VanDerWaalsContact NE2-CE2 3.31Å; Q1184-Y1290 PolarHBondContact NE2-OH 2.75Å; Q1184-Y1290 PolarHBondContact OE1-OH 2.89Å; Q1286-Y1290 VanDerWaalsContact O-CB 3.28Å; Q1286-Y1290 WeakPolarHBondContact O-CB 3.49Å; Q1286-Y1290 PolarHBondContact O-N 2.73Å; K1287-Y1290 PolarHBondContact O-N 2.65Å; Y1290-G1292 PolarHBondContact O-N 3.28Å; Y1290-R1293 PolarHBondContact O-N 3.14Å; Y1290-R1293 VanDerWaalsContact O-N 3.14Å; Y1290-R1294 PolarHBondContact OH-NE 2.84Å; Y1290-R1294 PolarHBondContact OH-NH1 2.88Å; Y1290-R1294 VanDerWaalsContact OH-NH1 3.12Å; Y1290-R1294 PolarHBondContact OH-NH2 2.96Å; Y1290-R1294 VanDerWaalsContact OH-NH2 3.1Å
1291	D	76.5	Confident	73.4	Confident	31 Å²	31	88.1 Å²	88.1	17%	0.166	43%	0.429	C	S	.	.	H	α-helix	trans	-63.6	-42.7	-175.2	-72.9	3.5	0	0	0	111.3	L1077 L1078 K1287 R1293 R1294	L1077-D1291 VanDerWaalsContact CA-OD1 3.32Å; L1077-D1291 WeakPolarHBondContact CA-OD1 3.27Å; L1077-D1291 WeakPolarHBondContact CB-OD1 3.3Å; L1077-D1291 HydrophobicContact CD2-CB 3.88Å; L1078-D1291 PolarHBondContact N-OD1 3.44Å; K1287-D1291 WeakPolarHBondContact CE-OD2 3.48Å; K1287-D1291 VanDerWaalsContact CG-OD2 3.25Å; K1287-D1291 WeakPolarHBondContact CG-OD2 3.45Å; K1287-D1291 IonicContact NZ-OD1 2.77Å; K1287-D1291 IonicContact NZ-OD2 3.71Å; K1287-D1291 PolarHBondContact NZ-OD2 3.08Å; K1287-D1291 VanDerWaalsContact O-CB 3.24Å; K1287-D1291 WeakPolarHBondContact O-CB 3.47Å; K1287-D1291 PolarHBondContact O-N 3.38Å; D1291-R1293 PolarHBondContact O-N 2.95Å; D1291-R1293 VanDerWaalsContact O-N 3.09Å; D1291-R1294 PolarHBondContact O-N 3.3Å
1292	G	69	Low	73.2	Confident	49 Å²	49	84.4 Å²	84.4	51%	0.505	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-21	176.7	0	0	0	0	0	114.5	K1073 K1288 Y1290	K1073-G1292 PolarHBondContact NZ-O 3.41Å; K1288-G1292 PolarHBondContact O-N 2.88Å; Y1290-G1292 PolarHBondContact O-N 3.28Å
1293	R	63.7	Low	73.1	Confident	150 Å²	150	83.9 Å²	83.9	57%	0.566	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-0.7	176.4	-67.9	-177	171.9	-178.9	1.2	113.6	Y1289 Y1290 D1291	Y1289-R1293 VanDerWaalsContact CZ-CZ 3.41Å; Y1289-R1293 VanDerWaalsContact OH-CZ 3.25Å; Y1289-R1293 PolarHBondContact OH-NH1 3.38Å; Y1289-R1293 VanDerWaalsContact OH-NH1 3.07Å; Y1289-R1293 PolarHBondContact OH-NH2 3.08Å; Y1290-R1293 PolarHBondContact O-N 3.14Å; Y1290-R1293 VanDerWaalsContact O-N 3.14Å; D1291-R1293 PolarHBondContact O-N 2.95Å; D1291-R1293 VanDerWaalsContact O-N 3.09Å
1294	R	66.4	Low	73.3	Confident	58 Å²	58	84.1 Å²	84.1	22%	0.219	43%	0.429	C	S	.	.	S	Bend	trans	-124.4	-179.1	-176.7	-68.9	-162.8	173.5	-156	15.1	112.5	P1074 A1075 D1076 Y1290 D1291	P1074-R1294 HydrophobicContact CB-CG 4.14Å; P1074-R1294 CarbonylContact O-C 3.56Å; P1074-R1294 WeakPolarHBondContact O-CA 3.26Å; P1074-R1294 WeakPolarHBondContact O-CB 3.33Å; P1074-R1294 WeakPolarHBondContact O-CG 3.33Å; A1075-R1294 WeakPolarHBondContact O-CD 3.26Å; A1075-R1294 PolarHBondContact O-NH1 2.87Å; D1076-R1294 WeakPolarHBondContact O-CB 3.47Å; D1076-R1294 WeakPolarHBondContact O-CD 3.27Å; Y1290-R1294 PolarHBondContact OH-NE 2.84Å; Y1290-R1294 PolarHBondContact OH-NH1 2.88Å; Y1290-R1294 VanDerWaalsContact OH-NH1 3.12Å; Y1290-R1294 PolarHBondContact OH-NH2 2.96Å; Y1290-R1294 VanDerWaalsContact OH-NH2 3.1Å; D1291-R1294 PolarHBondContact O-N 3.3Å
1295	R	64.6	Low	73.5	Confident	113 Å²	113	83.5 Å²	83.5	43%	0.426	42%	0.416	S	S	.	.	B	Isolated β-bridge	trans	-125.2	147.6	175	66	178.8	-176.8	86.3	-6.6	109.9	P1074 A1075 D1076 G1297	P1074-R1295 PolarHBondContact O-N 3.33Å; A1075-R1295 CarbonylContact C-O 3.52Å; A1075-R1295 WeakPolarHBondContact CA-O 3.39Å; A1075-R1295 HydrophobicContact CB-CG 4.35Å; D1076-R1295 PolarHBondContact N-O 2.88Å; R1295-G1297 PolarHBondContact O-N 2.6Å
1296	V	59.8	Low	73.7	Confident	112 Å²	112	80.6 Å²	80.6	68%	0.679	39%	0.392	S	S	*	.			trans	-55.4	137.4	175.1	-176.8	0	0	0	0	110.1
1297	G	58	Low	73.9	Confident	12 Å²	12	80.4 Å²	80.4	12%	0.124	39%	0.388	C	S	.	.			trans	-70.1	144.3	179.9	0	0	0	0	0	112	R1295 R1299	R1295-G1297 PolarHBondContact O-N 2.6Å; G1297-R1299 PolarHBondContact O-N 3.06Å; G1297-R1299 VanDerWaalsContact O-N 3.17Å
1298	T	64.4	Low	74	Confident	77 Å²	77	77.6 Å²	77.6	47%	0.472	38%	0.377	S	S	.	.			trans	-73.8	105.9	171.9	-50.8	0	0	0	0	108.1	F1300	T1298-F1300 WeakPolarHBondContact O-CD2 3.29Å; T1298-F1300 VanDerWaalsContact O-CE2 3.23Å; T1298-F1300 WeakPolarHBondContact O-CE2 3.25Å; T1298-F1300 PolarHBondContact O-N 3.33Å
1299	R	74.9	Confident	73.9	Confident	187 Å²	187	74.7 Å²	74.7	71%	0.706	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-57	136.4	175.3	-74.1	-178.5	171.3	175.3	-3.7	109.9	G1297	G1297-R1299 PolarHBondContact O-N 3.06Å; G1297-R1299 VanDerWaalsContact O-N 3.17Å
1300	F	79.4	Confident	73.6	Confident	14 Å²	14	71.3 Å²	71.3	6%	0.061	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-101.7	147	173.2	-64.9	-101.3	0	0	0	111	T1298 A1306 I1331 Y1340 I1359 L1362 R1364	T1298-F1300 WeakPolarHBondContact O-CD2 3.29Å; T1298-F1300 VanDerWaalsContact O-CE2 3.23Å; T1298-F1300 WeakPolarHBondContact O-CE2 3.25Å; T1298-F1300 PolarHBondContact O-N 3.33Å; F1300-A1306 HydrophobicContact CD1-CB 4.02Å; F1300-A1306 HydrophobicContact CE1-CB 3.56Å; F1300-A1306 HydrophobicContact CZ-CB 4.28Å; F1300-I1331 HydrophobicContact CB-CD1 4.46Å; F1300-I1331 HydrophobicContact CB-CG1 3.91Å; F1300-I1331 HydrophobicContact CD1-CG1 4.45Å; F1300-I1331 HydrophobicContact CG-CG1 4.44Å; F1300-Y1340 HydrophobicContact CB-CD1 4.47Å; F1300-Y1340 HydrophobicContact CB-CE1 3.96Å; F1300-Y1340 HydrophobicContact CD2-CE2 4.17Å; F1300-Y1340 PolarHBondContact N-OH 2.95Å; F1300-Y1340 WeakPolarHBondContact O-CE1 3.43Å; F1300-I1359 HydrophobicContact CD2-CG1 4.45Å; F1300-I1359 HydrophobicContact CE2-CG1 4.3Å; F1300-L1362 HydrophobicContact CD2-CB 4.25Å; F1300-L1362 HydrophobicContact CD2-CD1 3.96Å; F1300-L1362 HydrophobicContact CE1-CB 4.31Å; F1300-L1362 HydrophobicContact CE2-CB 3.47Å; F1300-L1362 VanDerWaalsContact CE2-CB 3.47Å; F1300-L1362 HydrophobicContact CE2-CD1 4.04Å; F1300-L1362 HydrophobicContact CE2-CG 4.42Å; F1300-L1362 HydrophobicContact CG-CD1 4.42Å; F1300-L1362 HydrophobicContact CZ-CB 3.51Å; F1300-R1364 HydrophobicContact CE1-CB 4.47Å
1301	Q	82.4	Confident	73.1	Confident	149 Å²	149	74.7 Å²	74.7	70%	0.696	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-94	157.2	172	-71.4	174.4	-25.3	0	0	111.1	Q1304 I1331	Q1301-Q1304 HydrophobicContact CB-CB 4.5Å; Q1301-Q1304 WeakPolarHBondContact O-CB 3.37Å; Q1301-Q1304 PolarHBondContact O-N 3.37Å; Q1301-I1331 WeakPolarHBondContact O-CB 3.47Å
1302	V	84.4	Confident	72	Confident	91 Å²	91	75.7 Å²	75.7	55%	0.552	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	142	169.9	179.9	0	0	0	0	109.3	Q1304 V1334	V1302-Q1304 PolarHBondContact O-N 2.96Å; V1302-V1334 HydrophobicContact CG2-CG2 4.44Å
1303	G	81.4	Confident	70.9	Confident	40 Å²	40	84.1 Å²	84.1	41%	0.412	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.6	-21.1	-172.9	0	0	0	0	0	114.8	I1331	G1303-I1331 PolarHBondContact N-O 3.02Å
1304	Q	86.3	Confident	70.4	Confident	47 Å²	47	84 Å²	84	22%	0.22	39%	0.391	C	S	.	.			trans	-66	147.1	-176.5	-164.1	175.1	20.6	0	0	112.6	Q1301 V1302 I1331	Q1301-Q1304 HydrophobicContact CB-CB 4.5Å; Q1301-Q1304 WeakPolarHBondContact O-CB 3.37Å; Q1301-Q1304 PolarHBondContact O-N 3.37Å; V1302-Q1304 PolarHBondContact O-N 2.96Å; Q1304-I1331 PolarHBondContact O-N 3.34Å
1305	L	86.1	Confident	69.4	Low	46 Å²	46	88.6 Å²	88.6	24%	0.241	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	137.1	175.5	-58.4	-172.7	0	0	0	112.6	P1328 V1329 R1330 L1345 Y1365	L1305-P1328 HydrophobicContact CB-CB 4.31Å; L1305-P1328 HydrophobicContact CD1-CB 4.22Å; L1305-P1328 HydrophobicContact CD2-CB 4.46Å; L1305-V1329 CarbonylContact C-O 3.58Å; L1305-V1329 WeakPolarHBondContact CA-O 3.38Å; L1305-R1330 HydrophobicContact CD2-CB 4.25Å; L1305-L1345 HydrophobicContact CD1-CD1 4.31Å; L1305-L1345 HydrophobicContact CD2-CD1 4.03Å; L1305-L1345 HydrophobicContact CD2-CD2 3.97Å; L1305-L1345 HydrophobicContact CD2-CG 4.34Å; L1305-Y1365 HydrophobicContact CB-CD1 3.97Å; L1305-Y1365 HydrophobicContact CB-CG 4.02Å; L1305-Y1365 HydrophobicContact CD1-CD1 3.97Å; L1305-Y1365 HydrophobicContact CD1-CE1 4.11Å; L1305-Y1365 WeakPolarHBondContact O-CB 3.35Å; L1305-Y1365 PolarHBondContact O-N 3.49Å
1306	A	83.6	Confident	68.6	Low	0 Å²	0	87 Å²	87	0%	0	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	158.5	179.2	0	0	0	0	0	112.4	F1300 P1328 V1329 I1331 L1362 K1363	F1300-A1306 HydrophobicContact CD1-CB 4.02Å; F1300-A1306 HydrophobicContact CE1-CB 3.56Å; F1300-A1306 HydrophobicContact CZ-CB 4.28Å; A1306-P1328 CarbonylContact O-C 3.53Å; A1306-P1328 WeakPolarHBondContact O-CA 3.3Å; A1306-V1329 HydrophobicContact CB-CG2 4.22Å; A1306-V1329 PolarHBondContact N-O 3.06Å; A1306-V1329 WeakPolarHBondContact O-CG2 3.43Å; A1306-V1329 PolarHBondContact O-N 2.61Å; A1306-I1331 HydrophobicContact CB-CD1 4.3Å; A1306-L1362 HydrophobicContact CB-CB 4.44Å; A1306-L1362 HydrophobicContact CB-CD2 4Å; A1306-K1363 CarbonylContact C-O 3.54Å; A1306-K1363 WeakPolarHBondContact CA-O 3.42Å
1307	W	81.5	Confident	68.1	Low	85 Å²	85	89.6 Å²	89.6	32%	0.322	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	121.6	166.4	-73.6	105.4	0	0	0	109.5	Y1325 G1327 L1362 K1363 Y1365	W1307-Y1325 HydrophobicContact CB-CD1 3.83Å; W1307-Y1325 HydrophobicContact CB-CG 4.31Å; W1307-G1327 WeakPolarHBondContact CZ3-O 3.44Å; W1307-L1362 CarbonylContact O-C 3.49Å; W1307-L1362 WeakPolarHBondContact O-CA 3.38Å; W1307-K1363 HydrophobicContact CB-CB 4.2Å; W1307-K1363 PolarHBondContact N-O 3.24Å; W1307-K1363 PolarHBondContact O-N 3.42Å; W1307-Y1365 HydrophobicContact CD2-CD2 4.34Å; W1307-Y1365 AromaticContact CE2-CD2 3.58Å; W1307-Y1365 HydrophobicContact CH2-CE2 4.44Å; W1307-Y1365 AromaticContact CZ2-CD2 3.78Å; W1307-Y1365 HydrophobicContact CZ2-CD2 3.78Å; W1307-Y1365 AromaticContact CZ2-CE2 3.71Å; W1307-Y1365 HydrophobicContact CZ2-CE2 3.71Å; W1307-Y1365 AromaticContact NE1-CD2 3.42Å
1308	L	79.7	Confident	67.7	Low	14 Å²	14	90.1 Å²	90.1	7%	0.073	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	119.3	176.5	175.9	67.4	0	0	0	111.4	Y1325 V1326 V1329 I1342 I1353 A1357 Q1361 L1362	L1308-Y1325 CarbonylContact O-C 3.51Å; L1308-Y1325 WeakPolarHBondContact O-CA 3.5Å; L1308-V1326 WeakPolarHBondContact CA-O 3.12Å; L1308-V1326 WeakPolarHBondContact CB-O 3.45Å; L1308-V1326 PolarHBondContact N-O 3.04Å; L1308-V1326 PolarHBondContact O-N 3.41Å; L1308-V1329 HydrophobicContact CB-CG1 4.29Å; L1308-V1329 HydrophobicContact CB-CG2 4.07Å; L1308-I1342 HydrophobicContact CD1-CD1 3.93Å; L1308-I1342 HydrophobicContact CD2-CD1 3.66Å; L1308-I1342 HydrophobicContact CG-CD1 4.26Å; L1308-I1353 HydrophobicContact CD2-CG2 4.16Å; L1308-A1357 HydrophobicContact CD1-CB 3.52Å; L1308-Q1361 CarbonylContact C-O 3.14Å; L1308-Q1361 WeakPolarHBondContact CA-O 3.34Å; L1308-Q1361 HydrophobicContact CD1-CB 4.14Å; L1308-L1362 HydrophobicContact CD1-CD2 4.38Å
1309	R	73.6	Confident	67.2	Low	115 Å²	115	89.4 Å²	89.4	43%	0.434	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	133.9	173.3	-166.9	178.8	172	165.7	-1.1	110.3	R1324 Y1325 Q1361	R1309-R1324 CarbonylContact C-O 3.42Å; R1309-R1324 WeakPolarHBondContact CA-O 3.37Å; R1309-R1324 WeakPolarHBondContact CG-O 3.44Å; R1309-Y1325 HydrophobicContact CB-CD1 3.91Å; R1309-Y1325 HydrophobicContact CB-CE1 3.64Å; R1309-Y1325 HydrophobicContact CG-CE1 4.18Å; R1309-Q1361 HydrophobicContact CB-CB 4.24Å; R1309-Q1361 VanDerWaalsContact CB-O 3.31Å; R1309-Q1361 WeakPolarHBondContact CB-O 3.21Å; R1309-Q1361 PolarHBondContact N-O 2.89Å
1310	R	65	Low	65.9	Low	70 Å²	70	84.9 Å²	84.9	26%	0.264	43%	0.431	S	S	.	.			trans	-123.2	137.4	173.4	-66.8	-167	178.6	167.2	-6.3	112.5	V1312 R1324 V1326	R1310-V1312 HydrophobicContact CB-CG2 3.71Å; R1310-V1312 HydrophobicContact CG-CG2 4.3Å; R1310-R1324 PolarHBondContact N-O 2.97Å; R1310-V1326 HydrophobicContact CG-CB 4.37Å; R1310-V1326 HydrophobicContact CG-CG2 4.04Å
1311	N	54.7	Low	64.5	Low	109 Å²	109	88 Å²	88	58%	0.583	45%	0.448	S	S	*	.			trans	-102.5	56.3	166.9	-67.2	-19.4	0	0	0	110.2	R1313	N1311-R1313 PolarHBondContact O-N 2.77Å
1312	V	53.4	Low	63.2	Low	51 Å²	51	82.7 Å²	82.7	31%	0.309	42%	0.423	S	S	.	.			trans	-74.8	110.1	179.3	-160.7	0	0	0	0	109.9	R1310 R1314 Q1322	R1310-V1312 HydrophobicContact CB-CG2 3.71Å; R1310-V1312 HydrophobicContact CG-CG2 4.3Å; V1312-R1314 HydrophobicContact CG1-CG 3.78Å; V1312-Q1322 PolarHBondContact O-NE2 3.38Å; V1312-Q1322 PolarHBondContact O-OE1 3.33Å
1313	R	46.7	Very low	61.9	Low	227 Å²	227	83.2 Å²	83.2	86%	0.857	43%	0.428	S	S	*	.			trans	-79.6	119.6	154.6	-68.1	-175.5	178.2	-171.9	-0.1	107.1	N1311	N1311-R1313 PolarHBondContact O-N 2.77Å
1314	R	51.6	Low	61.1	Low	146 Å²	146	88.2 Å²	88.2	55%	0.551	44%	0.435	S	S	*	.	B	Isolated β-bridge	trans	-111.1	133.7	165.3	-74	-170.6	171.1	-162.9	-2.8	107.1	V1312 G1316 R1317	V1312-R1314 HydrophobicContact CG1-CG 3.78Å; R1314-G1316 PolarHBondContact O-N 3.11Å; R1314-R1317 HydrophobicContact CB-CB 4.22Å; R1314-R1317 PolarHBondContact O-N 2.89Å; R1314-R1317 VanDerWaalsContact O-N 3.08Å
1315	V	45.2	Very low	60.4	Low	155 Å²	155	89.7 Å²	89.7	94%	0.939	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	134.6	171.7	-174.9	0	0	0	0	108.3	R1317	V1315-R1317 VanDerWaalsContact C-N 3.3Å; V1315-R1317 PolarHBondContact O-N 3.05Å
1316	G	48.5	Very low	59.7	Low	81 Å²	81	88.7 Å²	88.7	84%	0.835	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.3	4	-177.6	0	0	0	0	0	117.1	R1314	R1314-G1316 PolarHBondContact O-N 3.11Å
1317	R	50.3	Low	59.1	Low	165 Å²	165	89.8 Å²	89.8	62%	0.623	45%	0.446	S	S	*	.	B	Isolated β-bridge	trans	-130.3	110.3	174.9	-61.9	-170.1	-176.7	-158	-0.9	112.5	R1314 V1315 A1319 Q1322	R1314-R1317 HydrophobicContact CB-CB 4.22Å; R1314-R1317 PolarHBondContact O-N 2.89Å; R1314-R1317 VanDerWaalsContact O-N 3.08Å; V1315-R1317 VanDerWaalsContact C-N 3.3Å; V1315-R1317 PolarHBondContact O-N 3.05Å; R1317-A1319 PolarHBondContact O-N 3.04Å; R1317-Q1322 PolarHBondContact O-NE2 3.12Å
1318	S	48.2	Very low	58.9	Low	23 Å²	23	87.3 Å²	87.3	16%	0.161	44%	0.441	C	S	.	.			trans	-48.2	123.7	-179.8	-173	0	0	0	0	111.9	K1320 L1321	S1318-K1320 PolarHBondContact O-N 3.38Å; S1318-K1320 VanDerWaalsContact O-N 3.08Å; S1318-L1321 WeakPolarHBondContact O-CB 3.49Å; S1318-L1321 PolarHBondContact O-N 2.88Å
1319	A	53.4	Low	59.1	Low	63 Å²	63	86.9 Å²	86.9	52%	0.521	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-18.2	179.1	0	0	0	0	0	112.8	R1317 L1321	R1317-A1319 PolarHBondContact O-N 3.04Å; A1319-L1321 VanDerWaalsContact C-N 3.28Å; A1319-L1321 PolarHBondContact O-N 2.95Å
1320	K	47.8	Very low	59.8	Low	92 Å²	92	86.9 Å²	86.9	40%	0.4	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-10.9	173.6	-58.5	175	-172.8	161	0	113.4	L1066 S1318	L1066-K1320 HydrophobicContact CD2-CB 4.48Å; L1066-K1320 HydrophobicContact CD2-CD 3.64Å; S1318-K1320 PolarHBondContact O-N 3.38Å; S1318-K1320 VanDerWaalsContact O-N 3.08Å
1321	L	50.4	Low	60.8	Low	79 Å²	79	83.6 Å²	83.6	41%	0.414	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106	-13.9	179.2	-82.7	171.8	0	0	0	114.4	A1011 R1065 S1318 A1319	A1011-L1321 HydrophobicContact CB-CD2 3.78Å; R1065-L1321 VanDerWaalsContact CZ-CD2 3.45Å; R1065-L1321 VanDerWaalsContact CZ-CG 3.47Å; R1065-L1321 VanDerWaalsContact NE-CD2 3.33Å; S1318-L1321 WeakPolarHBondContact O-CB 3.49Å; S1318-L1321 PolarHBondContact O-N 2.88Å; A1319-L1321 VanDerWaalsContact C-N 3.28Å; A1319-L1321 PolarHBondContact O-N 2.95Å
1322	Q	56.1	Low	62.2	Low	37 Å²	37	80.7 Å²	80.7	17%	0.173	41%	0.413	C	S	.	.	S	Bend	trans	-80.7	144	-172.9	-56.7	-163.7	38.7	0	0	111.3	V1312 R1317 R1324	V1312-Q1322 PolarHBondContact O-NE2 3.38Å; V1312-Q1322 PolarHBondContact O-OE1 3.33Å; R1317-Q1322 PolarHBondContact O-NE2 3.12Å; Q1322-R1324 PolarHBondContact O-N 3.26Å
1323	P	56.1	Low	63.6	Low	102 Å²	102	79.5 Å²	79.5	66%	0.662	41%	0.406	S	S	*	.			trans	-53.3	112.7	175	-28	35.7	0	0	0	111.2	Y1325	P1323-Y1325 PolarHBondContact O-N 3.44Å
1324	R	64.6	Low	65.4	Low	146 Å²	146	72.3 Å²	72.3	55%	0.551	39%	0.388	S	S	*	.	S	Bend	trans	-64.1	-22.4	-175.1	-67.4	-175.9	-178.9	177.6	3.3	112.7	R1309 R1310 Q1322	R1309-R1324 CarbonylContact C-O 3.42Å; R1309-R1324 WeakPolarHBondContact CA-O 3.37Å; R1309-R1324 WeakPolarHBondContact CG-O 3.44Å; R1310-R1324 PolarHBondContact N-O 2.97Å; Q1322-R1324 PolarHBondContact O-N 3.26Å
1325	Y	72	Confident	66.4	Low	77 Å²	77	69 Å²	69	30%	0.302	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	149.6	179.1	-72.8	-89.8	0	0	0	110.8	W1307 L1308 R1309 P1323 K1363	W1307-Y1325 HydrophobicContact CB-CD1 3.83Å; W1307-Y1325 HydrophobicContact CB-CG 4.31Å; L1308-Y1325 CarbonylContact O-C 3.51Å; L1308-Y1325 WeakPolarHBondContact O-CA 3.5Å; R1309-Y1325 HydrophobicContact CB-CD1 3.91Å; R1309-Y1325 HydrophobicContact CB-CE1 3.64Å; R1309-Y1325 HydrophobicContact CG-CE1 4.18Å; P1323-Y1325 PolarHBondContact O-N 3.44Å; Y1325-K1363 HydrophobicContact CD1-CB 4.28Å; Y1325-K1363 HydrophobicContact CE1-CB 3.74Å
1326	V	71.6	Confident	67.5	Low	25 Å²	25	63.4 Å²	63.4	15%	0.152	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	131.9	-178.9	175.5	0	0	0	0	108.4	L1308 R1310	L1308-V1326 WeakPolarHBondContact CA-O 3.12Å; L1308-V1326 WeakPolarHBondContact CB-O 3.45Å; L1308-V1326 PolarHBondContact N-O 3.04Å; L1308-V1326 PolarHBondContact O-N 3.41Å; R1310-V1326 HydrophobicContact CG-CB 4.37Å; R1310-V1326 HydrophobicContact CG-CG2 4.04Å
1327	G	70.9	Confident	68.4	Low	23 Å²	23	65.3 Å²	65.3	24%	0.237	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.1	-165.9	-175.9	0	0	0	0	0	111.4	W1307	W1307-G1327 WeakPolarHBondContact CZ3-O 3.44Å
1328	P	78	Confident	69.3	Low	33 Å²	33	58.3 Å²	58.3	21%	0.214	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	cis	-60.4	149.3	-5.3	23.7	-33.1	0	0	0	113.4	L1305 A1306 L1345 Y1365	L1305-P1328 HydrophobicContact CB-CB 4.31Å; L1305-P1328 HydrophobicContact CD1-CB 4.22Å; L1305-P1328 HydrophobicContact CD2-CB 4.46Å; A1306-P1328 CarbonylContact O-C 3.53Å; A1306-P1328 WeakPolarHBondContact O-CA 3.3Å; P1328-L1345 HydrophobicContact CB-CD1 4.28Å; P1328-L1345 HydrophobicContact CG-CD1 3.8Å; P1328-Y1365 HydrophobicContact CB-CD2 3.8Å; P1328-Y1365 HydrophobicContact CB-CE2 3.91Å; P1328-Y1365 HydrophobicContact CB-CG 4.27Å; P1328-Y1365 HydrophobicContact CG-CD2 4.38Å; P1328-Y1365 HydrophobicContact CG-CE2 3.97Å
1329	V	82.8	Confident	70.5	Confident	5 Å²	5	58.8 Å²	58.8	3%	0.03	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	143.8	163	-64.1	0	0	0	0	108.7	L1305 A1306 L1308 I1342 E1343 R1344 L1362	L1305-V1329 CarbonylContact C-O 3.58Å; L1305-V1329 WeakPolarHBondContact CA-O 3.38Å; A1306-V1329 HydrophobicContact CB-CG2 4.22Å; A1306-V1329 PolarHBondContact N-O 3.06Å; A1306-V1329 WeakPolarHBondContact O-CG2 3.43Å; A1306-V1329 PolarHBondContact O-N 2.61Å; L1308-V1329 HydrophobicContact CB-CG1 4.29Å; L1308-V1329 HydrophobicContact CB-CG2 4.07Å; V1329-I1342 HydrophobicContact CG2-CB 4.44Å; V1329-I1342 HydrophobicContact CG2-CD1 4.41Å; V1329-I1342 HydrophobicContact CG2-CG2 4.44Å; V1329-E1343 CarbonylContact C-O 3.54Å; V1329-E1343 WeakPolarHBondContact CA-O 3.48Å; V1329-E1343 VanDerWaalsContact CB-O 3.24Å; V1329-E1343 WeakPolarHBondContact CB-O 3.21Å; V1329-R1344 HydrophobicContact CG1-CG 4.06Å; V1329-L1362 HydrophobicContact CG2-CD2 4.47Å
1330	R	87.6	Confident	71.9	Confident	116 Å²	116	56 Å²	56	44%	0.438	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	137.3	175.5	-178.7	-178.6	-73.2	166.1	-4.5	109.2	L1305 I1342 E1343 L1345	L1305-R1330 HydrophobicContact CD2-CB 4.25Å; R1330-I1342 WeakPolarHBondContact O-CA 3.45Å; R1330-E1343 PolarHBondContact N-O 3.36Å; R1330-E1343 PolarHBondContact O-N 2.72Å; R1330-L1345 HydrophobicContact CB-CD2 4.03Å
1331	I	87	Confident	73.6	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	124.2	167.6	-53.9	-48.3	0	0	0	108.9	F1300 Q1301 G1303 Q1304 A1306 Y1340 I1342 L1362	F1300-I1331 HydrophobicContact CB-CD1 4.46Å; F1300-I1331 HydrophobicContact CB-CG1 3.91Å; F1300-I1331 HydrophobicContact CD1-CG1 4.45Å; F1300-I1331 HydrophobicContact CG-CG1 4.44Å; Q1301-I1331 WeakPolarHBondContact O-CB 3.47Å; G1303-I1331 PolarHBondContact N-O 3.02Å; Q1304-I1331 PolarHBondContact O-N 3.34Å; A1306-I1331 HydrophobicContact CB-CD1 4.3Å; I1331-Y1340 HydrophobicContact CG2-CD1 3.69Å; I1331-Y1340 HydrophobicContact CG2-CG 4.36Å; I1331-I1342 HydrophobicContact CD1-CG2 3.75Å; I1331-L1362 HydrophobicContact CD1-CD1 3.91Å
1332	T	84.1	Confident	75.3	Confident	49 Å²	49	54.1 Å²	54.1	30%	0.301	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	-27.8	-178.9	53.2	0	0	0	0	113.6	R1341 E1343	T1332-R1341 PolarHBondContact N-O 3.43Å; T1332-R1341 WeakPolarHBondContact OG1-CG 3.23Å; T1332-R1341 PolarHBondContact OG1-O 3.27Å; T1332-E1343 HydrophobicContact CG2-CB 3.62Å
1333	S	83.7	Confident	76.5	Confident	25 Å²	25	57.3 Å²	57.3	18%	0.175	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	162.8	167.7	80.7	0	0	0	0	111.7	L1335 Y1340 R1341	S1333-L1335 WeakPolarHBondContact OG-CD2 3.3Å; S1333-Y1340 WeakPolarHBondContact O-CA 3.4Å; S1333-R1341 PolarHBondContact O-N 3.47Å; S1333-R1341 VanDerWaalsContact OG-CB 3.24Å; S1333-R1341 WeakPolarHBondContact OG-CB 3.48Å
1334	V	83	Confident	77.2	Confident	76 Å²	76	57.5 Å²	57.5	46%	0.461	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	139.1	165.4	-169.9	0	0	0	0	107.9	V1302 G1336 Y1340	V1302-V1334 HydrophobicContact CG2-CG2 4.44Å; V1334-G1336 WeakPolarHBondContact CG1-O 3.47Å; V1334-Y1340 HydrophobicContact CB-CD1 4.5Å; V1334-Y1340 HydrophobicContact CG1-CD1 4.44Å; V1334-Y1340 HydrophobicContact CG1-CE1 4.22Å; V1334-Y1340 HydrophobicContact CG2-CD1 4.04Å; V1334-Y1340 HydrophobicContact CG2-CE1 3.86Å
1335	L	73.4	Confident	77.5	Confident	78 Å²	78	54 Å²	54	41%	0.408	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	-1.4	-178.5	-59.5	176.1	0	0	0	112.8	S1333 T1339 R1341 T1356	S1333-L1335 WeakPolarHBondContact OG-CD2 3.3Å; L1335-T1339 WeakPolarHBondContact CA-O 3.46Å; L1335-T1339 HydrophobicContact CB-CG2 4.17Å; L1335-T1339 HydrophobicContact CD1-CG2 4.35Å; L1335-T1339 PolarHBondContact N-O 3.06Å; L1335-R1341 HydrophobicContact CD1-CB 4.01Å; L1335-R1341 HydrophobicContact CG-CB 4.24Å; L1335-T1356 HydrophobicContact CD1-CG2 3.44Å; L1335-T1356 VanDerWaalsContact CD1-CG2 3.44Å
1336	G	69	Low	76.9	Confident	37 Å²	37	57.9 Å²	57.9	38%	0.381	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	160.8	167	-177.7	0	0	0	0	0	108.4	V1334 N1338 T1339	V1334-G1336 WeakPolarHBondContact CG1-O 3.47Å; G1336-N1338 PolarHBondContact O-N 3.36Å; G1336-T1339 PolarHBondContact N-O 3.39Å; G1336-T1339 PolarHBondContact O-N 2.9Å; G1336-T1339 VanDerWaalsContact O-N 3.09Å
1337	E	65.7	Low	75.9	Confident	121 Å²	121	58.9 Å²	58.9	57%	0.565	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.9	-38.6	-171.9	-58.9	-165.9	102.3	0	0	114.4	Q1079	Q1079-E1337 PolarHBondContact NE2-OE2 3.02Å
1338	N	69.1	Low	74.7	Confident	17 Å²	17	69.6 Å²	69.6	9%	0.091	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.9	4.3	-174.4	-71	-21.7	0	0	0	114.1	D1076 G1336 H1358 I1359	D1076-N1338 PolarHBondContact OD1-ND2 2.81Å; D1076-N1338 PolarHBondContact OD1-OD1 2.95Å; D1076-N1338 PolarHBondContact OD2-ND2 2.85Å; D1076-N1338 VanDerWaalsContact OD2-ND2 3.08Å; G1336-N1338 PolarHBondContact O-N 3.36Å; N1338-H1358 CarbonylContact O-C 3.52Å; N1338-H1358 WeakPolarHBondContact O-CA 3.45Å; N1338-H1358 PolarHBondContact O-CD2 2.88Å; N1338-I1359 HydrophobicContact CB-CB 4.4Å; N1338-I1359 HydrophobicContact CB-CG2 3.77Å; N1338-I1359 PolarHBondContact O-N 3.43Å
1339	T	74.3	Confident	73.2	Confident	33 Å²	33	71.3 Å²	71.3	20%	0.202	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	128.9	-176.1	-58.5	0	0	0	0	111.4	L1335 G1336	L1335-T1339 WeakPolarHBondContact CA-O 3.46Å; L1335-T1339 HydrophobicContact CB-CG2 4.17Å; L1335-T1339 HydrophobicContact CD1-CG2 4.35Å; L1335-T1339 PolarHBondContact N-O 3.06Å; G1336-T1339 PolarHBondContact N-O 3.39Å; G1336-T1339 PolarHBondContact O-N 2.9Å; G1336-T1339 VanDerWaalsContact O-N 3.09Å
1340	Y	83.4	Confident	71.2	Confident	5 Å²	5	80.9 Å²	80.9	2%	0.02	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	144	-175.1	-64.4	-85.7	0	0	0	110.9	F1300 I1331 S1333 V1334 T1356 A1357 I1359 L1362	F1300-Y1340 HydrophobicContact CB-CD1 4.47Å; F1300-Y1340 HydrophobicContact CB-CE1 3.96Å; F1300-Y1340 HydrophobicContact CD2-CE2 4.17Å; F1300-Y1340 PolarHBondContact N-OH 2.95Å; F1300-Y1340 WeakPolarHBondContact O-CE1 3.43Å; I1331-Y1340 HydrophobicContact CG2-CD1 3.69Å; I1331-Y1340 HydrophobicContact CG2-CG 4.36Å; S1333-Y1340 WeakPolarHBondContact O-CA 3.4Å; V1334-Y1340 HydrophobicContact CB-CD1 4.5Å; V1334-Y1340 HydrophobicContact CG1-CD1 4.44Å; V1334-Y1340 HydrophobicContact CG1-CE1 4.22Å; V1334-Y1340 HydrophobicContact CG2-CD1 4.04Å; V1334-Y1340 HydrophobicContact CG2-CE1 3.86Å; Y1340-T1356 CarbonylContact O-C 3.56Å; Y1340-T1356 VanDerWaalsContact O-CA 3.3Å; Y1340-T1356 WeakPolarHBondContact O-CA 3.37Å; Y1340-A1357 PolarHBondContact N-O 2.73Å; Y1340-A1357 PolarHBondContact O-N 2.82Å; Y1340-I1359 HydrophobicContact CE2-CB 4.15Å; Y1340-I1359 HydrophobicContact CE2-CD1 4.29Å; Y1340-I1359 HydrophobicContact CE2-CG1 4.19Å; Y1340-L1362 HydrophobicContact CD2-CD1 3.54Å; Y1340-L1362 HydrophobicContact CE2-CD1 4.24Å; Y1340-L1362 HydrophobicContact CG-CD1 4.02Å
1341	R	83.1	Confident	69.2	Low	121 Å²	121	78 Å²	78	46%	0.457	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	138.2	164.2	-164.5	178.9	-76.8	162.4	-3.4	108.8	T1332 S1333 L1335 S1355	T1332-R1341 PolarHBondContact N-O 3.43Å; T1332-R1341 WeakPolarHBondContact OG1-CG 3.23Å; T1332-R1341 PolarHBondContact OG1-O 3.27Å; S1333-R1341 PolarHBondContact O-N 3.47Å; S1333-R1341 VanDerWaalsContact OG-CB 3.24Å; S1333-R1341 WeakPolarHBondContact OG-CB 3.48Å; L1335-R1341 HydrophobicContact CD1-CB 4.01Å; L1335-R1341 HydrophobicContact CG-CB 4.24Å; R1341-S1355 CarbonylContact C-O 3.48Å; R1341-S1355 WeakPolarHBondContact CA-O 3.35Å; R1341-S1355 WeakPolarHBondContact CG-O 3.41Å
1342	I	85.5	Confident	67.4	Low	11 Å²	11	89.8 Å²	89.8	6%	0.056	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	150.9	-171.3	57.9	156.7	0	0	0	113.3	L1308 V1329 R1330 I1331 S1355 A1357 L1362	L1308-I1342 HydrophobicContact CD1-CD1 3.93Å; L1308-I1342 HydrophobicContact CD2-CD1 3.66Å; L1308-I1342 HydrophobicContact CG-CD1 4.26Å; V1329-I1342 HydrophobicContact CG2-CB 4.44Å; V1329-I1342 HydrophobicContact CG2-CD1 4.41Å; V1329-I1342 HydrophobicContact CG2-CG2 4.44Å; R1330-I1342 WeakPolarHBondContact O-CA 3.45Å; I1331-I1342 HydrophobicContact CD1-CG2 3.75Å; I1342-S1355 PolarHBondContact N-O 3.46Å; I1342-A1357 HydrophobicContact CD1-CB 3.7Å; I1342-A1357 HydrophobicContact CG1-CB 4.1Å; I1342-A1357 HydrophobicContact CG2-CB 4.16Å; I1342-L1362 HydrophobicContact CG2-CD2 4.41Å
1343	E	81.2	Confident	65.8	Low	104 Å²	104	89.3 Å²	89.3	49%	0.486	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	155.8	-180	-178.6	166.2	-132.5	0	0	111.4	V1329 R1330 T1332	V1329-E1343 CarbonylContact C-O 3.54Å; V1329-E1343 WeakPolarHBondContact CA-O 3.48Å; V1329-E1343 VanDerWaalsContact CB-O 3.24Å; V1329-E1343 WeakPolarHBondContact CB-O 3.21Å; R1330-E1343 PolarHBondContact N-O 3.36Å; R1330-E1343 PolarHBondContact O-N 2.72Å; T1332-E1343 HydrophobicContact CG2-CB 3.62Å
1344	R	71.7	Confident	64.6	Low	105 Å²	105	90 Å²	90	40%	0.396	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	136	171.3	-86.9	-177.6	140.3	-147.8	-11.1	110.2	V1329 N1346 G1347 L1349	V1329-R1344 HydrophobicContact CG1-CG 4.06Å; R1344-N1346 PolarHBondContact O-N 2.88Å; R1344-N1346 VanDerWaalsContact O-N 3.1Å; R1344-G1347 PolarHBondContact O-N 3.25Å; R1344-L1349 HydrophobicContact CG-CD2 4.39Å
1345	L	69.9	Low	64.1	Low	72 Å²	72	89.3 Å²	89.3	38%	0.377	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-26.9	179.5	-61.7	-177.6	0	0	0	114	L1305 P1328 R1330	L1305-L1345 HydrophobicContact CD1-CD1 4.31Å; L1305-L1345 HydrophobicContact CD2-CD1 4.03Å; L1305-L1345 HydrophobicContact CD2-CD2 3.97Å; L1305-L1345 HydrophobicContact CD2-CG 4.34Å; P1328-L1345 HydrophobicContact CB-CD1 4.28Å; P1328-L1345 HydrophobicContact CG-CD1 3.8Å; R1330-L1345 HydrophobicContact CB-CD2 4.03Å
1346	N	60.3	Low	64.2	Low	159 Å²	159	86.4 Å²	86.4	85%	0.85	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.3	40.6	-171.9	-54.5	48.3	0	0	0	112.5	R1344	R1344-N1346 PolarHBondContact O-N 2.88Å; R1344-N1346 VanDerWaalsContact O-N 3.1Å
1347	G	50.4	Low	64.4	Low	47 Å²	47	84.7 Å²	84.7	49%	0.485	41%	0.414	S	S	.	.	S	Bend	trans	98	-179	163.9	0	0	0	0	0	118.3	R1344	R1344-G1347 PolarHBondContact O-N 3.25Å
1348	R	44.7	Very low	64.8	Low	247 Å²	247	79.8 Å²	79.8	93%	0.932	39%	0.391	S	S	*	.			trans	-52.8	143.8	-164.8	-71.9	-178.1	174.7	172.7	-1.7	114.6	K1350	R1348-K1350 PolarHBondContact O-N 2.88Å
1349	L	47	Very low	65.2	Low	69 Å²	69	79.3 Å²	79.3	36%	0.361	39%	0.389	S	S	.	.			trans	-70.2	85.6	-176.8	-63.1	173.8	0	0	0	113.2	R1344 G1351 I1353	R1344-L1349 HydrophobicContact CG-CD2 4.39Å; L1349-G1351 PolarHBondContact O-N 3.28Å; L1349-I1353 HydrophobicContact CB-CD1 4.46Å; L1349-I1353 HydrophobicContact CD2-CB 4.26Å; L1349-I1353 HydrophobicContact CD2-CD1 3.95Å; L1349-I1353 HydrophobicContact CD2-CG2 4.16Å
1350	K	41.1	Very low	65	Low	207 Å²	207	78.8 Å²	78.8	90%	0.9	39%	0.386	S	S	*	.			trans	-67.9	110	166.4	-78.7	-172.1	173.9	-178.4	0	111	R1348	R1348-K1350 PolarHBondContact O-N 2.88Å
1351	G	46.2	Very low	64.6	Low	54 Å²	54	79.5 Å²	79.5	56%	0.557	39%	0.39	S	S	*	.	S	Bend	trans	100	165.3	174.8	0	0	0	0	0	114.8	L1349 I1353	L1349-G1351 PolarHBondContact O-N 3.28Å; G1351-I1353 VanDerWaalsContact C-N 3.32Å; G1351-I1353 PolarHBondContact O-N 3.35Å
1352	R	47.9	Very low	64.4	Low	249 Å²	249	74.3 Å²	74.3	94%	0.94	37%	0.371	S	S	*	.	S	Bend	trans	-57.4	81.8	-177.5	-74.8	-176	173.4	-179.8	-2.5	113.1
1353	I	52.1	Low	64.1	Low	38 Å²	38	79.7 Å²	79.7	20%	0.195	39%	0.394	C	S	.	.			trans	-124.8	122.9	172.7	-52.9	157.3	0	0	0	105.5	L1308 L1349 G1351	L1308-I1353 HydrophobicContact CD2-CG2 4.16Å; L1349-I1353 HydrophobicContact CB-CD1 4.46Å; L1349-I1353 HydrophobicContact CD2-CB 4.26Å; L1349-I1353 HydrophobicContact CD2-CD1 3.95Å; L1349-I1353 HydrophobicContact CD2-CG2 4.16Å; G1351-I1353 VanDerWaalsContact C-N 3.32Å; G1351-I1353 PolarHBondContact O-N 3.35Å
1354	S	58.7	Low	64	Low	40 Å²	40	82.1 Å²	82.1	28%	0.28	40%	0.399	S	S	.	.			trans	-71.2	138.3	177	-163.8	0	0	0	0	110.2	R1155 T1356	R1155-S1354 PolarHBondContact NH1-OG 2.9Å; S1354-T1356 WeakPolarHBondContact CB-O 3.44Å; S1354-T1356 PolarHBondContact O-N 3.19Å; S1354-T1356 PolarHBondContact OG-N 3.06Å; S1354-T1356 PolarHBondContact OG-O 3.45Å; S1354-T1356 PolarHBondContact OG-OG1 2.99Å
1355	S	71.2	Confident	64.3	Low	62 Å²	62	79.8 Å²	79.8	43%	0.434	39%	0.39	S	S	.	.	S	Bend	trans	-68.9	-3.7	169.5	50.9	0	0	0	0	113.1	R1341 I1342	R1341-S1355 CarbonylContact C-O 3.48Å; R1341-S1355 WeakPolarHBondContact CA-O 3.35Å; R1341-S1355 WeakPolarHBondContact CG-O 3.41Å; I1342-S1355 PolarHBondContact N-O 3.46Å
1356	T	75.7	Confident	64.3	Low	17 Å²	17	81.7 Å²	81.7	10%	0.104	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	133.6	176.1	65.3	0	0	0	0	110.3	R1155 L1335 Y1340 S1354	R1155-T1356 PolarHBondContact NH1-OG1 3.07Å; L1335-T1356 HydrophobicContact CD1-CG2 3.44Å; L1335-T1356 VanDerWaalsContact CD1-CG2 3.44Å; Y1340-T1356 CarbonylContact O-C 3.56Å; Y1340-T1356 VanDerWaalsContact O-CA 3.3Å; Y1340-T1356 WeakPolarHBondContact O-CA 3.37Å; S1354-T1356 WeakPolarHBondContact CB-O 3.44Å; S1354-T1356 PolarHBondContact O-N 3.19Å; S1354-T1356 PolarHBondContact OG-N 3.06Å; S1354-T1356 PolarHBondContact OG-O 3.45Å; S1354-T1356 PolarHBondContact OG-OG1 2.99Å
1357	A	72.8	Confident	64	Low	1 Å²	1	80.5 Å²	80.5	1%	0.008	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	144.2	177.6	0	0	0	0	0	111.7	L1308 Y1340 I1342 L1362	L1308-A1357 HydrophobicContact CD1-CB 3.52Å; Y1340-A1357 PolarHBondContact N-O 2.73Å; Y1340-A1357 PolarHBondContact O-N 2.82Å; I1342-A1357 HydrophobicContact CD1-CB 3.7Å; I1342-A1357 HydrophobicContact CG1-CB 4.1Å; I1342-A1357 HydrophobicContact CG2-CB 4.16Å; A1357-L1362 HydrophobicContact CB-CD2 4.04Å; A1357-L1362 HydrophobicContact CB-CG 4.42Å
1358	H	74.8	Confident	63.5	Low	18 Å²	18	83.8 Å²	83.8	8%	0.083	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	154.2	177.1	-160.5	-107.2	0	0	0	111.3	D1076 H1182 N1338 S1360 Q1361 L1362	D1076-H1358 IonicContact OD2-CE1 3.49Å; D1076-H1358 PolarHBondContact OD2-CE1 3.19Å; D1076-H1358 IonicContact OD2-ND1 2.68Å; D1076-H1358 IonicContact OD2-NE2 2.65Å; H1182-H1358 WeakPolarHBondContact CD2-CB 3.33Å; H1182-H1358 AromaticContact CD2-CG 3.6Å; H1182-H1358 AromaticContact CD2-ND1 3.78Å; H1182-H1358 AromaticContact CE1-CE1 3.6Å; H1182-H1358 AromaticContact CE1-CG 3.75Å; H1182-H1358 AromaticContact CE1-ND1 3.12Å; H1182-H1358 PolarHBondContact CE1-ND1 3.46Å; H1182-H1358 AromaticContact CG-CG 3.65Å; H1182-H1358 AromaticContact CG-ND1 3.79Å; H1182-H1358 AromaticContact ND1-CE1 3.54Å; H1182-H1358 AromaticContact ND1-CG 3.73Å; H1182-H1358 AromaticContact ND1-ND1 3.38Å; H1182-H1358 PolarHBondContact ND1-ND1 3.27Å; H1182-H1358 AromaticContact ND1-NE2 3.97Å; H1182-H1358 AromaticContact NE2-CG 3.67Å; H1182-H1358 AromaticContact NE2-ND1 3.38Å; H1182-H1358 PolarHBondContact NE2-ND1 2.89Å; N1338-H1358 CarbonylContact O-C 3.52Å; N1338-H1358 WeakPolarHBondContact O-CA 3.45Å; N1338-H1358 PolarHBondContact O-CD2 2.88Å; H1358-S1360 VanDerWaalsContact C-N 3.27Å; H1358-S1360 PolarHBondContact ND1-OG 3.02Å; H1358-S1360 PolarHBondContact O-N 3.4Å; H1358-Q1361 HydrophobicContact CB-CG 4.16Å; H1358-Q1361 VanDerWaalsContact N-OE1 3.1Å; H1358-Q1361 CarbonylContact O-C 3.56Å; H1358-Q1361 VanDerWaalsContact O-CA 3.31Å; H1358-Q1361 WeakPolarHBondContact O-CA 3.42Å; H1358-Q1361 VanDerWaalsContact O-CB 3.24Å; H1358-Q1361 WeakPolarHBondContact O-CB 3.48Å; H1358-Q1361 PolarHBondContact O-N 2.96Å; H1358-L1362 PolarHBondContact O-N 3.28Å
1359	I	77.5	Confident	63.2	Low	7 Å²	7	78.9 Å²	78.9	4%	0.036	41%	0.407	C	S	.	.	G	3₁₀ helix	trans	-58.5	-35.3	-176	-165.5	167.2	0	0	0	113	D1076 F1300 N1338 Y1340 Q1361 L1362	D1076-I1359 HydrophobicContact CB-CG2 3.95Å; D1076-I1359 VanDerWaalsContact CG-CG2 3.44Å; D1076-I1359 WeakPolarHBondContact OD2-CG2 3.38Å; F1300-I1359 HydrophobicContact CD2-CG1 4.45Å; F1300-I1359 HydrophobicContact CE2-CG1 4.3Å; N1338-I1359 HydrophobicContact CB-CB 4.4Å; N1338-I1359 HydrophobicContact CB-CG2 3.77Å; N1338-I1359 PolarHBondContact O-N 3.43Å; Y1340-I1359 HydrophobicContact CE2-CB 4.15Å; Y1340-I1359 HydrophobicContact CE2-CD1 4.29Å; Y1340-I1359 HydrophobicContact CE2-CG1 4.19Å; I1359-Q1361 PolarHBondContact O-N 3.2Å; I1359-L1362 PolarHBondContact O-N 3.43Å
1360	S	70.2	Confident	62.4	Low	21 Å²	21	80.9 Å²	80.9	15%	0.147	43%	0.426	C	S	.	.	G	3₁₀ helix	trans	-74.9	-9.2	173.3	49.2	0	0	0	0	114.7	H1182 H1358	H1182-S1360 PolarHBondContact CE1-OG 3.44Å; H1182-S1360 PolarHBondContact NE2-OG 2.85Å; H1358-S1360 VanDerWaalsContact C-N 3.27Å; H1358-S1360 PolarHBondContact ND1-OG 3.02Å; H1358-S1360 PolarHBondContact O-N 3.4Å
1361	Q	73.7	Confident	61.9	Low	21 Å²	21	74.3 Å²	74.3	10%	0.098	42%	0.417	C	S	.	.	G	3₁₀ helix	trans	-90.4	-8.4	164.6	-56.7	174.7	-20.6	0	0	111.7	A1180 H1182 L1308 R1309 H1358 I1359	A1180-Q1361 PolarHBondContact O-NE2 2.86Å; H1182-Q1361 PolarHBondContact CD2-NE2 3.27Å; L1308-Q1361 CarbonylContact C-O 3.14Å; L1308-Q1361 WeakPolarHBondContact CA-O 3.34Å; L1308-Q1361 HydrophobicContact CD1-CB 4.14Å; R1309-Q1361 HydrophobicContact CB-CB 4.24Å; R1309-Q1361 VanDerWaalsContact CB-O 3.31Å; R1309-Q1361 WeakPolarHBondContact CB-O 3.21Å; R1309-Q1361 PolarHBondContact N-O 2.89Å; H1358-Q1361 HydrophobicContact CB-CG 4.16Å; H1358-Q1361 VanDerWaalsContact N-OE1 3.1Å; H1358-Q1361 CarbonylContact O-C 3.56Å; H1358-Q1361 VanDerWaalsContact O-CA 3.31Å; H1358-Q1361 WeakPolarHBondContact O-CA 3.42Å; H1358-Q1361 VanDerWaalsContact O-CB 3.24Å; H1358-Q1361 WeakPolarHBondContact O-CB 3.48Å; H1358-Q1361 PolarHBondContact O-N 2.96Å; I1359-Q1361 PolarHBondContact O-N 3.2Å
1362	L	79.6	Confident	61.3	Low	12 Å²	12	80.1 Å²	80.1	6%	0.063	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	150.5	179.6	-60	174.1	0	0	0	111.5	F1300 A1306 W1307 L1308 V1329 I1331 Y1340 I1342 A1357 H1358 I1359	F1300-L1362 HydrophobicContact CD2-CB 4.25Å; F1300-L1362 HydrophobicContact CD2-CD1 3.96Å; F1300-L1362 HydrophobicContact CE1-CB 4.31Å; F1300-L1362 HydrophobicContact CE2-CB 3.47Å; F1300-L1362 VanDerWaalsContact CE2-CB 3.47Å; F1300-L1362 HydrophobicContact CE2-CD1 4.04Å; F1300-L1362 HydrophobicContact CE2-CG 4.42Å; F1300-L1362 HydrophobicContact CG-CD1 4.42Å; F1300-L1362 HydrophobicContact CZ-CB 3.51Å; A1306-L1362 HydrophobicContact CB-CB 4.44Å; A1306-L1362 HydrophobicContact CB-CD2 4Å; W1307-L1362 CarbonylContact O-C 3.49Å; W1307-L1362 WeakPolarHBondContact O-CA 3.38Å; L1308-L1362 HydrophobicContact CD1-CD2 4.38Å; V1329-L1362 HydrophobicContact CG2-CD2 4.47Å; I1331-L1362 HydrophobicContact CD1-CD1 3.91Å; Y1340-L1362 HydrophobicContact CD2-CD1 3.54Å; Y1340-L1362 HydrophobicContact CE2-CD1 4.24Å; Y1340-L1362 HydrophobicContact CG-CD1 4.02Å; I1342-L1362 HydrophobicContact CG2-CD2 4.41Å; A1357-L1362 HydrophobicContact CB-CD2 4.04Å; A1357-L1362 HydrophobicContact CB-CG 4.42Å; H1358-L1362 PolarHBondContact O-N 3.28Å; I1359-L1362 PolarHBondContact O-N 3.43Å
1363	K	78.6	Confident	60.5	Low	123 Å²	123	74.1 Å²	74.1	54%	0.535	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	135.1	168.6	173.8	-175.7	178.4	-174.8	0	107.8	A1306 W1307 Y1325 Y1365	A1306-K1363 CarbonylContact C-O 3.54Å; A1306-K1363 WeakPolarHBondContact CA-O 3.42Å; W1307-K1363 HydrophobicContact CB-CB 4.2Å; W1307-K1363 PolarHBondContact N-O 3.24Å; W1307-K1363 PolarHBondContact O-N 3.42Å; Y1325-K1363 HydrophobicContact CD1-CB 4.28Å; Y1325-K1363 HydrophobicContact CE1-CB 3.74Å; K1363-Y1365 PolarHBondContact O-N 3.05Å
1364	R	79.5	Confident	59.3	Low	156 Å²	156	83.7 Å²	83.7	59%	0.589	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-52.5	129.2	178.6	-179.3	169.4	176.1	169.3	-0.4	110.6	F1300 V1366	F1300-R1364 HydrophobicContact CE1-CB 4.47Å; R1364-V1366 HydrophobicContact CG-CG2 4.44Å
1365	Y	77.9	Confident	57.9	Low	55 Å²	55	93.2 Å²	93.2	22%	0.216	48%	0.484	C	S	.	.			trans	-76	142.5	168.8	-178	-91.9	0	0	0	109.1	L1305 W1307 P1328 K1363 E1367	L1305-Y1365 HydrophobicContact CB-CD1 3.97Å; L1305-Y1365 HydrophobicContact CB-CG 4.02Å; L1305-Y1365 HydrophobicContact CD1-CD1 3.97Å; L1305-Y1365 HydrophobicContact CD1-CE1 4.11Å; L1305-Y1365 WeakPolarHBondContact O-CB 3.35Å; L1305-Y1365 PolarHBondContact O-N 3.49Å; W1307-Y1365 HydrophobicContact CD2-CD2 4.34Å; W1307-Y1365 AromaticContact CE2-CD2 3.58Å; W1307-Y1365 HydrophobicContact CH2-CE2 4.44Å; W1307-Y1365 AromaticContact CZ2-CD2 3.78Å; W1307-Y1365 HydrophobicContact CZ2-CD2 3.78Å; W1307-Y1365 AromaticContact CZ2-CE2 3.71Å; W1307-Y1365 HydrophobicContact CZ2-CE2 3.71Å; W1307-Y1365 AromaticContact NE1-CD2 3.42Å; P1328-Y1365 HydrophobicContact CB-CD2 3.8Å; P1328-Y1365 HydrophobicContact CB-CE2 3.91Å; P1328-Y1365 HydrophobicContact CB-CG 4.27Å; P1328-Y1365 HydrophobicContact CG-CD2 4.38Å; P1328-Y1365 HydrophobicContact CG-CE2 3.97Å; K1363-Y1365 PolarHBondContact O-N 3.05Å; Y1365-E1367 VanDerWaalsContact CE1-OE1 3.25Å; Y1365-E1367 WeakPolarHBondContact CE1-OE1 3.32Å; Y1365-E1367 PolarHBondContact OH-OE1 2.8Å
1366	V	70.6	Confident	55.9	Low	112 Å²	112	101.2 Å²	101.2	68%	0.679	51%	0.505	S	S	*	.			trans	-138.3	126.3	177.8	-178.3	0	0	0	0	106.2	R1364	R1364-V1366 HydrophobicContact CG-CG2 4.44Å
1367	E	53.4	Low	53.8	Low	134 Å²	134	108.9 Å²	108.9	63%	0.626	54%	0.544	S	S	*	.			trans	-77.1	138.8	178.5	-144.4	112.9	-110.1	0	0	109.7	Y1365 V1369	Y1365-E1367 VanDerWaalsContact CE1-OE1 3.25Å; Y1365-E1367 WeakPolarHBondContact CE1-OE1 3.32Å; Y1365-E1367 PolarHBondContact OH-OE1 2.8Å; E1367-V1369 PolarHBondContact O-N 3.4Å
1368	S	39.8	Very low	51.6	Low	117 Å²	117	120 Å²	120	82%	0.818	59%	0.586	S	S	*	*			trans	-85.4	99.7	-179.8	55.4	0	0	0	0	111.1
1369	V	39.5	Very low	49.4	Very low	144 Å²	144	131.1 Å²	131.1	87%	0.873	63%	0.627	S	S	*	*			trans	-62.9	135.9	172.1	-174.8	0	0	0	0	110.1	E1367	E1367-V1369 PolarHBondContact O-N 3.4Å
1370	S	30.6	Very low	47.2	Very low	111 Å²	111	136.1 Å²	136.1	78%	0.776	66%	0.663	S	S	*	*			trans	-93.7	135.7	-176.8	40.1	0	0	0	0	113.1
1371	G	29.6	Very low	45.2	Very low	68 Å²	68	141.3 Å²	141.3	70%	0.701	69%	0.694	S	S	*	*			trans	108.1	166.3	161.8	0	0	0	0	0	118
1372	H	34.5	Very low	43	Very low	176 Å²	176	145 Å²	145	82%	0.815	72%	0.721	S	S	*	*			trans	76.6	63	161	-52.5	101.6	0	0	0	120.4
1373	T	30	Very low	40.6	Very low	124 Å²	124	154.1 Å²	154.1	76%	0.761	76%	0.761	S	S	*	*				31.7	120.8	126.7	51.1	0	0	0	0	122.9
1374	R	27.3	Very low	38.1	Very low	239 Å²	239	152 Å²	152	90%	0.902	77%	0.774	S	S	*	*			trans	38	112.9	133.3	-64.9	179	171.7	-179.3	-1.8	119.8
1375	R	29.1	Very low	35.8	Very low	240 Å²	240	148 Å²	148	91%	0.906	78%	0.781	S	S	*	*				-171.1	153.9	116.2	-109.6	170.4	175.6	-178.7	-0.4	115
1376	R	28.3	Very low	33.8	Very low	230 Å²	230	156.5 Å²	156.5	87%	0.868	81%	0.812	S	S	*	*			trans	46.9	105.7	159.3	-69.2	-177.2	171.5	-178.5	-2.4	119.8
1377	L	32.8	Very low	32.3	Very low	178 Å²	178	161.9 Å²	161.9	93%	0.932	82%	0.821	S	S	*	*				-150.4	143.7	106.8	-107.9	153.9	0	0	0	109.8
1378	R	26.1	Very low	32.1	Very low	235 Å²	235	157.3 Å²	157.3	89%	0.887	80%	0.8	S	S	*	*			trans	-132.6	162.9	-177.4	-106.6	-173	173.4	-168.8	-1.1	108.3
1379	R	29.3	Very low	32.5	Very low	251 Å²	251	155 Å²	155	95%	0.947	78%	0.78	S	S	*	*			trans	85.8	128.7	-167.9	-56	170.1	172.5	176.8	-3.8	111.3
1380	S	30.6	Very low	32.9	Very low	111 Å²	111	149.5 Å²	149.5	78%	0.776	75%	0.751	S	S	*	*			cis	-144.8	149.4	-0.8	58.3	0	0	0	0	114.9
1381	T	28.4	Very low	33.4	Very low	130 Å²	130	148.3 Å²	148.3	80%	0.798	74%	0.735	S	S	*	*			trans	-32.4	153.4	154.1	39.8	0	0	0	0	115.9
1382	S	28.2	Very low	33.9	Very low	98 Å²	98	149.4 Å²	149.4	69%	0.685	73%	0.73	S	S	*	*			cis	-162.5	177.6	7.5	57.3	0	0	0	0	112.6
1383	K	28	Very low	34.1	Very low	205 Å²	205	142.3 Å²	142.3	89%	0.891	70%	0.701	S	S	*	*			trans	63.3	107.5	168.3	-63.5	178.9	-179.1	174.8	0	117
1384	G	27.5	Very low	34.4	Very low	79 Å²	79	142 Å²	142	81%	0.814	70%	0.704	S	S	*	*			trans	158.9	64.9	166.3	0	0	0	0	0	115.7
1385	G	30.8	Very low	34.9	Very low	70 Å²	70	133.1 Å²	133.1	72%	0.722	68%	0.678	S	S	*	*			trans	-58.3	142.3	177.6	0	0	0	0	0	113	R1387	G1385-R1387 PolarHBondContact O-N 3.32Å
1386	R	34.7	Very low	35	Very low	234 Å²	234	125 Å²	125	88%	0.883	67%	0.67	S	S	*	*			trans	-57.3	106.7	-179.4	-74	-178.1	176.2	177.1	-2.2	110.3	I1388	R1386-I1388 PolarHBondContact O-N 3.33Å
1387	R	40.1	Very low	35.2	Very low	226 Å²	226	123.3 Å²	123.3	85%	0.853	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-75.4	117.7	-179.3	-74.1	-179	171.5	168.5	-1.3	110.5	G1385 V1389	G1385-R1387 PolarHBondContact O-N 3.32Å; R1387-V1389 PolarHBondContact O-N 3.06Å; R1387-V1389 VanDerWaalsContact O-N 3.11Å
1388	I	49.4	Very low	35	Very low	38 Å²	38	119.3 Å²	119.3	20%	0.195	66%	0.656	C	S	.	*	P	Polyproline II helix	trans	-56.1	116.2	159.9	-66.5	171.6	0	0	0	107.9	I1014 L1018 F1040 A1061 R1386	I1014-I1388 HydrophobicContact CG2-CD1 4.47Å; L1018-I1388 HydrophobicContact CD1-CD1 3.29Å; F1040-I1388 HydrophobicContact CE1-CD1 4.22Å; F1040-I1388 HydrophobicContact CZ-CD1 3.95Å; A1061-I1388 HydrophobicContact CB-CG2 3.96Å; R1386-I1388 PolarHBondContact O-N 3.33Å
1389	V	46.9	Very low	35	Very low	67 Å²	67	114.4 Å²	114.4	41%	0.406	64%	0.641	S	S	.	*	P	Polyproline II helix	trans	-72.7	129.8	177.7	-179.2	0	0	0	0	108.1	V1062 R1387 I1391	V1062-V1389 PolarHBondContact N-O 2.93Å; R1387-V1389 PolarHBondContact O-N 3.06Å; R1387-V1389 VanDerWaalsContact O-N 3.11Å; V1389-I1391 HydrophobicContact CG1-CG1 4.27Å
1390	A	48.4	Very low	35.2	Very low	30 Å²	30	110.4 Å²	110.4	25%	0.248	63%	0.626	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-129.3	133.2	177.6	0	0	0	0	0	110.8	L1059 L1060	L1059-A1390 HydrophobicContact CB-CB 3.57Å; L1059-A1390 HydrophobicContact CD1-CB 4.4Å; L1060-A1390 WeakPolarHBondContact O-CA 3.44Å
1391	I	41.6	Very low	35	Very low	85 Å²	85	107.8 Å²	107.8	44%	0.436	60%	0.601	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.2	143.2	-168.5	-54.8	-177.6	0	0	0	109.8	L1060 V1062 V1389 A1393	L1060-I1391 PolarHBondContact N-O 3.13Å; L1060-I1391 PolarHBondContact O-N 2.98Å; V1062-I1391 HydrophobicContact CG2-CB 4.26Å; V1062-I1391 HydrophobicContact CG2-CD1 3.77Å; V1062-I1391 HydrophobicContact CG2-CG1 3.73Å; V1389-I1391 HydrophobicContact CG1-CG1 4.27Å; I1391-A1393 PolarHBondContact O-N 2.92Å
1392	P	39.5	Very low	35.3	Very low	92 Å²	92	107.4 Å²	107.4	60%	0.597	60%	0.604	S	S	*	*			trans	-62.3	118.7	166.8	-19.7	32.6	0	0	0	110.5	L1059 S1394	L1059-P1392 HydrophobicContact CD2-CG 4.2Å; P1392-S1394 PolarHBondContact O-N 3.34Å
1393	A	40.1	Very low	35.3	Very low	26 Å²	26	108.7 Å²	108.7	22%	0.215	63%	0.632	C	S	.	*			trans	-70.2	114.1	179.4	0	0	0	0	0	111.2	R1056 L1060 I1391 S1395	R1056-A1393 PolarHBondContact NH1-O 3.17Å; R1056-A1393 PolarHBondContact NH2-O 3.21Å; L1060-A1393 HydrophobicContact CD2-CB 4.33Å; I1391-A1393 PolarHBondContact O-N 2.92Å; A1393-S1395 PolarHBondContact O-N 3.11Å
1394	S	35.2	Very low	35.7	Very low	119 Å²	119	103.9 Å²	103.9	83%	0.832	62%	0.62	S	S	*	*			trans	-76.1	56.1	174.4	55.8	0	0	0	0	112	P1392 G1396	P1392-S1394 PolarHBondContact O-N 3.34Å; S1394-G1396 PolarHBondContact O-N 3.2Å
1395	S	38.3	Very low	36.1	Very low	51 Å²	51	105.2 Å²	105.2	36%	0.357	61%	0.609	S	S	.	*			trans	-76	114.7	165.7	39.3	0	0	0	0	109.7	A1393	A1393-S1395 PolarHBondContact O-N 3.11Å
1396	G	31.8	Very low	36.4	Very low	70 Å²	70	107.2 Å²	107.2	72%	0.722	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-55.9	143.8	148.2	0	0	0	0	0	108.4	S1394	S1394-G1396 PolarHBondContact O-N 3.2Å
1397	Q	31.1	Very low	36.5	Very low	195 Å²	195	99.7 Å²	99.7	91%	0.911	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-56.6	127	-166.6	-95.4	-174	-41.2	0	0	112
1398	P	29.2	Very low	36.3	Very low	93 Å²	93	91.8 Å²	91.8	60%	0.604	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-69.8	134.8	172.9	29.5	-33.2	0	0	0	109.1	R1400	P1398-R1400 PolarHBondContact O-N 3.49Å; P1398-R1400 VanDerWaalsContact O-N 3.09Å
1399	K	26.1	Very low	35.4	Very low	133 Å²	133	95.4 Å²	95.4	58%	0.578	60%	0.595	S	S	*	*			trans	-64.5	107.9	156.7	-79.9	-163.7	162.3	-141.3	0	108.1	M280 F283	M280-K1399 HydrophobicContact CE-CB 4.23Å; F283-K1399 HydrophobicContact CD2-CD 4.33Å; F283-K1399 VanDerWaalsContact CD2-NZ 3.29Å; F283-K1399 HydrophobicContact CE2-CD 3.63Å; F283-K1399 VanDerWaalsContact CE2-NZ 3.34Å; F283-K1399 HydrophobicContact CZ-CD 4.05Å
1400	R	33.2	Very low	34.6	Very low	166 Å²	166	97.4 Å²	97.4	63%	0.626	61%	0.608	S	S	*	*			trans	-126.3	131.9	162.2	-83.8	-162.3	175.5	-162.1	5	110.2	E1044 P1398	E1044-R1400 IonicContact OE1-CZ 2.74Å; E1044-R1400 IonicContact OE1-NH1 2.94Å; E1044-R1400 PolarHBondContact OE1-NH1 2.96Å; E1044-R1400 IonicContact OE1-NH2 2.8Å; E1044-R1400 PolarHBondContact OE1-NH2 3.06Å; E1044-R1400 IonicContact OE2-CZ 2.93Å; E1044-R1400 IonicContact OE2-NH2 3.54Å; E1044-R1400 PolarHBondContact OE2-NH2 3.39Å; P1398-R1400 PolarHBondContact O-N 3.49Å; P1398-R1400 VanDerWaalsContact O-N 3.09Å
1401	F	26.9	Very low	33.5	Very low	57 Å²	57	102.6 Å²	102.6	25%	0.25	64%	0.636	C	S	.	*			trans	-74.6	140.9	-178.5	-74.8	-89.1	0	0	0	112.6	M280 T281 F283	M280-F1401 HydrophobicContact CB-CE2 3.96Å; M280-F1401 HydrophobicContact CE-CD2 4.5Å; M280-F1401 HydrophobicContact CE-CE2 3.83Å; M280-F1401 HydrophobicContact CG-CD2 4.45Å; M280-F1401 HydrophobicContact CG-CE2 4.03Å; T281-F1401 WeakPolarHBondContact O-CZ 3.11Å; T281-F1401 WeakPolarHBondContact OG1-CE1 3.48Å; T281-F1401 VanDerWaalsContact OG1-CZ 3.29Å; T281-F1401 WeakPolarHBondContact OG1-CZ 3.22Å; F283-F1401 AromaticContact CD1-CE1 4Å; F283-F1401 HydrophobicContact CD1-CE1 4Å; F283-F1401 HydrophobicContact CD1-CZ 4.32Å; F283-F1401 HydrophobicContact CD2-CE1 4.17Å; F283-F1401 AromaticContact CD2-CZ 3.66Å; F283-F1401 HydrophobicContact CD2-CZ 3.66Å; F283-F1401 HydrophobicContact CE1-CD1 4.08Å; F283-F1401 AromaticContact CE1-CE1 3.47Å; F283-F1401 HydrophobicContact CE1-CE1 3.47Å; F283-F1401 VanDerWaalsContact CE1-CE1 3.47Å; F283-F1401 AromaticContact CE1-CZ 3.84Å; F283-F1401 HydrophobicContact CE1-CZ 3.84Å; F283-F1401 AromaticContact CE2-CE1 3.66Å; F283-F1401 HydrophobicContact CE2-CE1 3.66Å; F283-F1401 AromaticContact CE2-CE2 3.62Å; F283-F1401 HydrophobicContact CE2-CE2 3.62Å; F283-F1401 AromaticContact CE2-CZ 3.07Å; F283-F1401 HydrophobicContact CE2-CZ 3.07Å; F283-F1401 HydrophobicContact CG-CE1 4.33Å; F283-F1401 HydrophobicContact CG-CZ 4.24Å; F283-F1401 AromaticContact CZ-CD1 3.91Å; F283-F1401 HydrophobicContact CZ-CD1 3.91Å; F283-F1401 HydrophobicContact CZ-CD2 4.3Å; F283-F1401 AromaticContact CZ-CE1 3.29Å; F283-F1401 HydrophobicContact CZ-CE1 3.29Å; F283-F1401 AromaticContact CZ-CE2 3.74Å; F283-F1401 HydrophobicContact CZ-CE2 3.74Å; F283-F1401 HydrophobicContact CZ-CG 4.37Å; F283-F1401 AromaticContact CZ-CZ 3.2Å; F283-F1401 HydrophobicContact CZ-CZ 3.2Å
1402	S	34.3	Very low	32.8	Very low	122 Å²	122	104.1 Å²	104.1	85%	0.853	65%	0.653	S	S	*	*			trans	-169.8	96.2	138.3	56.4	0	0	0	0	106.5
1403	G	28.3	Very low	32.2	Very low	125 Å²	125	105.2 Å²	105.2	100%	1.289	66%	0.658	S	S	*	*			trans	103	0	-147.3	0	0	0	0	0	108.4

Retrieved 1,403 of 1,403 residues in 1204.5 ms (Link to these results)

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