A0A077ZK03_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZK03, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 988 aa.

						>A0A077ZK03_TRITR|A0A077ZK03
MEAQRIATRQCGNQQVPDPSQEQRLEKLTERFGSFLYPADEGQNSSEVETWNDADKTTAATNVFRLLLAKLDQSQKFNFSNIIGGFKCIDQNKEQHAIMHLKLLRHGKCHKFSIFHQCPSEQNVYCTWIGTLRESIPNKTSGYSCFESSEVSKEYEEELANLNPCAVWKYNVEGAYRLPILADMLPWKKNFLLYHPPVVFLKDEKGPVGGQGLSAAPKNPEGRTGIAGRGLLMKWGENKVEIPIIIKASRTKAEVLMRGRYDKEKGESPLPMFYNIPKQEDFPDIESMEKHYYEMVATDQKSNCTVEKLRSSFKSATKLTIKYFPHPYATDNAWITANIIVIATCDEPCFNYLDLNESSNKFQYRWEKFNDSDIYDIGDLVNLLLKKQLTPQQVPDPNQEERLEGIANRFGNFLLPADKSRNRSELLEWKDGPKTTTAVNVFEMLLGKLKYPRKFSFLKLLAASKCKAQNGEEHVIMQLKLLKTGKCHRAEKELARINHCELWKYSNQGAHRLPVPAFMSPWETEFYLYEPPVALLRDEKGPHGGKGLSAAPKNPEGRTGIAGRGLLLKWGENKMEIPIVIRKLEDGIEVLLRYQYDEEKGESALPMFYKISKGEKEEYSDVQKLEEHFHGLVRSDKKSECSAKKLRSSMKLRRRLFSGYLDHPHTTDNAWVTATVYLVSTIQEPCFEHLELEKYSKQFHYKWQKFNKTEIRDMEDLRIFNKKCIMNNPRRVYCSWIGTLINDTPAMMLGAICFQLRTISIEEELEMGTVDICDSWRYSNTKFYRLKIPKRKSSWAARFVLYDPPVYDSSSKQRLRRGSIYVNGYTHPLNPGGRTGIVGNGMLRNMGKNKMQMLMILRNNNGSKEVLRSDHYQKGNSKASLPMFYKKHNNSAAAPLPAEPTMEEYFHAIVKPEHKKSCSKEKLKSTIDRNRKVSGYFAHPNATDNAWVETTIYLIETKREPCFNHLDLTQEGNYMNYQWKSASDAKLE
					

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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	34.1	Very low	36.9	Very low	162 Å²	162	87.7 Å²	87.7	80%	0.798	43%	0.43	S	S	*	.				0	-58.3	0	-77.5	-160.2	-71.8	0	0	112.6	Q4 R5	M1-Q4 CarbonylContact O-C 3.48Å; M1-Q4 WeakPolarHBondContact O-CB 3.43Å; M1-Q4 PolarHBondContact O-N 2.96Å; M1-R5 WeakPolarHBondContact O-CB 3.29Å; M1-R5 WeakPolarHBondContact O-CG 3.49Å; M1-R5 PolarHBondContact O-N 2.88Å
2	E	36	Very low	36.1	Very low	123 Å²	123	84.8 Å²	84.8	58%	0.575	44%	0.439	S	S	*	.	H	α-helix	trans	-69.9	-43.2	178.6	-159.1	148.6	167.7	0	0	112.5	Q4 R5 I6	E2-Q4 VanDerWaalsContact C-N 3.28Å; E2-Q4 PolarHBondContact O-N 3.38Å; E2-R5 CarbonylContact O-C 3.56Å; E2-R5 PolarHBondContact O-N 3.29Å; E2-R5 VanDerWaalsContact O-N 3.11Å; E2-I6 HydrophobicContact CG-CD1 3.84Å; E2-I6 HydrophobicContact CG-CG1 4.43Å; E2-I6 WeakPolarHBondContact O-CB 2.94Å; E2-I6 WeakPolarHBondContact O-CD1 3.32Å; E2-I6 WeakPolarHBondContact O-CG1 3.38Å; E2-I6 PolarHBondContact O-N 3.49Å
3	A	38.5	Very low	35.7	Very low	17 Å²	17	89.4 Å²	89.4	14%	0.14	47%	0.465	C	S	.	.	H	α-helix	trans	-56	-41.5	168	0	0	0	0	0	112.8	I6 A7 F369 N382	A3-I6 PolarHBondContact O-N 3.38Å; A3-A7 VanDerWaalsContact O-CB 3.31Å; A3-A7 WeakPolarHBondContact O-CB 3.11Å; A3-A7 PolarHBondContact O-N 3.19Å; A3-F369 HydrophobicContact CB-CE1 4.11Å; A3-N382 WeakPolarHBondContact CA-OD1 3.35Å; A3-N382 VanDerWaalsContact CB-OD1 3.23Å; A3-N382 WeakPolarHBondContact CB-OD1 3.4Å
4	Q	37.6	Very low	35	Very low	70 Å²	70	92.4 Å²	92.4	33%	0.327	48%	0.476	S	S	.	.	H	α-helix	trans	-63.7	-39.4	175.9	-119.6	170.3	-23.7	0	0	112.2	M1 E2 T8 T251	M1-Q4 CarbonylContact O-C 3.48Å; M1-Q4 WeakPolarHBondContact O-CB 3.43Å; M1-Q4 PolarHBondContact O-N 2.96Å; E2-Q4 VanDerWaalsContact C-N 3.28Å; E2-Q4 PolarHBondContact O-N 3.38Å; Q4-T8 WeakPolarHBondContact O-CB 3.4Å; Q4-T8 WeakPolarHBondContact O-CG2 3.26Å; Q4-T8 PolarHBondContact O-N 2.74Å; Q4-T8 PolarHBondContact O-OG1 3.3Å; Q4-T251 PolarHBondContact NE2-O 3.15Å
5	R	39.2	Very low	34.7	Very low	163 Å²	163	98.4 Å²	98.4	62%	0.615	50%	0.501	S	S	*	.	H	α-helix	trans	-75.4	-30.9	176.3	-77.6	-179	179.4	-175.1	-2.2	112.6	M1 E2 T8 R9	M1-R5 WeakPolarHBondContact O-CB 3.29Å; M1-R5 WeakPolarHBondContact O-CG 3.49Å; M1-R5 PolarHBondContact O-N 2.88Å; E2-R5 CarbonylContact O-C 3.56Å; E2-R5 PolarHBondContact O-N 3.29Å; E2-R5 VanDerWaalsContact O-N 3.11Å; R5-T8 VanDerWaalsContact CA-OG1 3.3Å; R5-T8 WeakPolarHBondContact CA-OG1 3.11Å; R5-T8 PolarHBondContact O-OG1 2.87Å; R5-R9 WeakPolarHBondContact O-CB 3.47Å
6	I	41.7	Very low	34.3	Very low	22 Å²	22	100.7 Å²	100.7	11%	0.113	52%	0.52	C	S	.	.	H	α-helix	trans	-75.2	-49.4	178.9	-72.3	161.5	0	0	0	110.3	E2 A3 T8 R9 L385 K386 L389	E2-I6 HydrophobicContact CG-CD1 3.84Å; E2-I6 HydrophobicContact CG-CG1 4.43Å; E2-I6 WeakPolarHBondContact O-CB 2.94Å; E2-I6 WeakPolarHBondContact O-CD1 3.32Å; E2-I6 WeakPolarHBondContact O-CG1 3.38Å; E2-I6 PolarHBondContact O-N 3.49Å; A3-I6 PolarHBondContact O-N 3.38Å; I6-T8 PolarHBondContact O-N 3.26Å; I6-T8 VanDerWaalsContact O-N 3.17Å; I6-R9 PolarHBondContact O-N 3.21Å; I6-L385 HydrophobicContact CG2-CB 4.28Å; I6-K386 HydrophobicContact CD1-CD 4.42Å; I6-K386 HydrophobicContact CD1-CG 4.26Å; I6-K386 HydrophobicContact CG2-CG 4.49Å; I6-L389 HydrophobicContact CG2-CD1 4.05Å
7	A	34.9	Very low	34.1	Very low	32 Å²	32	99.9 Å²	99.9	26%	0.264	52%	0.523	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-17.5	177.6	0	0	0	0	0	113.3	A3 A248	A3-A7 VanDerWaalsContact O-CB 3.31Å; A3-A7 WeakPolarHBondContact O-CB 3.11Å; A3-A7 PolarHBondContact O-N 3.19Å; A7-A248 HydrophobicContact CB-CB 3.87Å
8	T	37.2	Very low	34.1	Very low	60 Å²	60	99.9 Å²	99.9	37%	0.368	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-10	178.5	36.3	0	0	0	0	115	Q4 R5 I6 S249	Q4-T8 WeakPolarHBondContact O-CB 3.4Å; Q4-T8 WeakPolarHBondContact O-CG2 3.26Å; Q4-T8 PolarHBondContact O-N 2.74Å; Q4-T8 PolarHBondContact O-OG1 3.3Å; R5-T8 VanDerWaalsContact CA-OG1 3.3Å; R5-T8 WeakPolarHBondContact CA-OG1 3.11Å; R5-T8 PolarHBondContact O-OG1 2.87Å; I6-T8 PolarHBondContact O-N 3.26Å; I6-T8 VanDerWaalsContact O-N 3.17Å; T8-S249 WeakPolarHBondContact CG2-O 3.29Å
9	R	37.7	Very low	34	Very low	165 Å²	165	100.7 Å²	100.7	62%	0.623	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.4	-12.1	-167.2	-86.5	-169.2	174.2	-170.4	-1.8	118.6	R5 I6	R5-R9 WeakPolarHBondContact O-CB 3.47Å; I6-R9 PolarHBondContact O-N 3.21Å
10	Q	36.1	Very low	34.3	Very low	55 Å²	55	99.6 Å²	99.6	26%	0.257	54%	0.536	S	S	.	.			trans	-145.9	104.6	178.1	-66.8	-167.9	-54	0	0	113.6	L389 T390	Q10-L389 HydrophobicContact CB-CD2 3.59Å; Q10-L389 HydrophobicContact CG-CD2 3.76Å; Q10-T390 PolarHBondContact NE2-O 2.93Å
11	C	32.8	Very low	34.8	Very low	96 Å²	96	97.9 Å²	97.9	65%	0.649	53%	0.525	S	S	*	.			trans	-101.6	87.3	151.8	-69.4	0	0	0	0	106.1	D346	C11-D346 PolarHBondContact SG-OD1 3.38Å
12	G	27.4	Very low	35.1	Very low	52 Å²	52	97.4 Å²	97.4	54%	0.536	52%	0.52	S	S	.	.			trans	171.5	103.3	-178	0	0	0	0	0	115.9
13	N	30.9	Very low	35.5	Very low	145 Å²	145	99.4 Å²	99.4	78%	0.775	53%	0.53	S	S	*	.			trans	56.8	139	155.7	-74.3	-7.2	0	0	0	123.1
14	Q	26.1	Very low	36.1	Very low	132 Å²	132	104.3 Å²	104.3	62%	0.617	55%	0.545	S	S	*	.			trans	-93	142.6	-161.2	-61.1	168.5	-22.1	0	0	113.8
15	Q	30.2	Very low	36.8	Very low	182 Å²	182	103 Å²	103	85%	0.85	54%	0.54	S	S	*	.			trans	-175.4	-179.4	143.5	-105.5	178.3	16.8	0	0	115
16	V	29.5	Very low	37.5	Very low	135 Å²	135	101 Å²	101	82%	0.818	54%	0.538	S	S	*	.			trans	-98.7	161	-130.8	166	0	0	0	0	116.3
17	P	30.9	Very low	38.2	Very low	87 Å²	87	104.1 Å²	104.1	57%	0.565	55%	0.55	S	S	*	*			trans	-104.3	169.1	-149.8	38.2	-30.6	0	0	0	118.8
18	D	32.4	Very low	39.3	Very low	100 Å²	100	103.4 Å²	103.4	54%	0.535	54%	0.542	S	S	.	.			trans	-97.8	134.8	179	173.7	34.7	0	0	0	113.6	S20	D18-S20 PolarHBondContact O-N 2.94Å; D18-S20 PolarHBondContact OD2-OG 2.6Å
19	P	33.4	Very low	40.3	Very low	115 Å²	115	101.2 Å²	101.2	75%	0.747	53%	0.529	S	S	*	.	G	3₁₀ helix	trans	-69.7	-7	-177.5	-22.5	34.1	0	0	0	118.3	Q21	P19-Q21 PolarHBondContact O-N 3.01Å
20	S	39.9	Very low	41.4	Very low	78 Å²	78	99.1 Å²	99.1	55%	0.545	53%	0.526	S	S	.	.	G	3₁₀ helix	trans	-71.1	11.1	-178.3	69.9	0	0	0	0	115.4	D18	D18-S20 PolarHBondContact O-N 2.94Å; D18-S20 PolarHBondContact OD2-OG 2.6Å
21	Q	45.6	Very low	42.6	Very low	65 Å²	65	99.7 Å²	99.7	30%	0.304	53%	0.526	S	S	.	.	G	3₁₀ helix	trans	-101.4	-10.9	-169.4	-63.8	-156.3	-8.9	0	0	116.6	P19 Q23 R24 L25	P19-Q21 PolarHBondContact O-N 3.01Å; Q21-Q23 PolarHBondContact O-N 3.19Å; Q21-R24 PolarHBondContact O-N 3.31Å; Q21-L25 WeakPolarHBondContact O-CB 3.37Å; Q21-L25 PolarHBondContact O-N 3.34Å
22	E	39.3	Very low	44.2	Very low	151 Å²	151	95.1 Å²	95.1	71%	0.706	50%	0.495	S	S	*	.	H	α-helix	trans	-63.2	-46.2	-172.2	-78.9	-175.2	153.1	0	0	114	R24 L25 E26	E22-R24 VanDerWaalsContact C-N 3.3Å; E22-R24 PolarHBondContact O-N 3.16Å; E22-L25 WeakPolarHBondContact O-CB 3.45Å; E22-L25 PolarHBondContact O-N 2.98Å; E22-L25 VanDerWaalsContact O-N 3.14Å; E22-E26 PolarHBondContact O-N 3.18Å; E22-E26 VanDerWaalsContact O-N 3.08Å
23	Q	45	Very low	46	Very low	166 Å²	166	92.8 Å²	92.8	78%	0.776	47%	0.471	S	S	*	.	H	α-helix	trans	-66.2	-31.1	178	-73.7	-177.9	-13	0	0	113.3	Q21	Q21-Q23 PolarHBondContact O-N 3.19Å
24	R	49.7	Very low	47.4	Very low	120 Å²	120	89.6 Å²	89.6	45%	0.453	46%	0.46	S	S	.	.	H	α-helix	trans	-68.5	-39.9	173.5	-81.8	-179.8	163.1	144.7	5.8	110.7	Q21 E22 L28 E762	Q21-R24 PolarHBondContact O-N 3.31Å; E22-R24 VanDerWaalsContact C-N 3.3Å; E22-R24 PolarHBondContact O-N 3.16Å; R24-L28 WeakPolarHBondContact O-CB 3.46Å; R24-L28 WeakPolarHBondContact O-CD1 3.46Å; R24-L28 VanDerWaalsContact O-CG 3.22Å; R24-L28 WeakPolarHBondContact O-CG 2.88Å; R24-L28 PolarHBondContact O-N 3.45Å; R24-E762 IonicContact CZ-OE1 3.49Å; R24-E762 IonicContact NE-OE1 3.37Å; R24-E762 PolarHBondContact NE-OE1 3.33Å; R24-E762 IonicContact NH2-OE1 3.04Å
25	L	52.5	Low	49.1	Very low	43 Å²	43	84.6 Å²	84.6	23%	0.225	44%	0.436	C	S	.	.	H	α-helix	trans	-65.9	-40.3	-178.9	177.1	55.8	0	0	0	112.4	Q21 E22 L28 T29 L319	Q21-L25 WeakPolarHBondContact O-CB 3.37Å; Q21-L25 PolarHBondContact O-N 3.34Å; E22-L25 WeakPolarHBondContact O-CB 3.45Å; E22-L25 PolarHBondContact O-N 2.98Å; E22-L25 VanDerWaalsContact O-N 3.14Å; L25-L28 PolarHBondContact O-N 3.42Å; L25-T29 WeakPolarHBondContact O-CB 3.32Å; L25-T29 PolarHBondContact O-N 3.42Å; L25-T29 PolarHBondContact O-OG1 3.11Å; L25-L319 HydrophobicContact CD1-CD1 3.48Å; L25-L319 VanDerWaalsContact CD1-CD1 3.48Å; L25-L319 HydrophobicContact CD1-CD2 3.37Å; L25-L319 HydrophobicContact CD1-CG 3.73Å; L25-L319 HydrophobicContact CD2-CD1 3.88Å; L25-L319 HydrophobicContact CG-CD1 4.34Å
26	E	54.1	Low	50.7	Low	121 Å²	121	76 Å²	76	57%	0.565	40%	0.395	S	S	*	.	H	α-helix	trans	-61.6	-49.8	179.9	-165.7	173.3	-162.1	0	0	112.3	E22 L28 T29 E30	E22-E26 PolarHBondContact O-N 3.18Å; E22-E26 VanDerWaalsContact O-N 3.08Å; E26-L28 VanDerWaalsContact C-N 3.34Å; E26-L28 PolarHBondContact O-N 3.39Å; E26-T29 WeakPolarHBondContact O-CA 3.45Å; E26-T29 VanDerWaalsContact O-CB 3.23Å; E26-T29 WeakPolarHBondContact O-CB 3.21Å; E26-T29 PolarHBondContact O-N 2.98Å; E26-T29 VanDerWaalsContact O-N 3.07Å; E26-E30 PolarHBondContact O-N 3.38Å; E26-E30 VanDerWaalsContact O-N 3.15Å
27	K	56.2	Low	52	Low	87 Å²	87	71.6 Å²	71.6	38%	0.378	37%	0.365	S	S	.	.	H	α-helix	trans	-66.5	-33.6	176.7	-70.1	-178.8	176.8	169.1	0	113.5	T29 R31 I761 L765	K27-T29 VanDerWaalsContact C-N 3.27Å; K27-R31 PolarHBondContact O-N 3.03Å; K27-I761 HydrophobicContact CB-CD1 3.88Å; K27-I761 HydrophobicContact CB-CG2 4.2Å; K27-I761 HydrophobicContact CD-CG2 3.75Å; K27-L765 HydrophobicContact CD-CD1 4.05Å; K27-L765 VanDerWaalsContact NZ-CD1 3.3Å
28	L	59.1	Low	52.9	Low	17 Å²	17	69.5 Å²	69.5	9%	0.089	35%	0.351	C	S	.	.	H	α-helix	trans	-66.2	-34.7	173.3	-74.2	166.9	0	0	0	111.1	R24 L25 E26 R31 F32 L380 I761	R24-L28 WeakPolarHBondContact O-CB 3.46Å; R24-L28 WeakPolarHBondContact O-CD1 3.46Å; R24-L28 VanDerWaalsContact O-CG 3.22Å; R24-L28 WeakPolarHBondContact O-CG 2.88Å; R24-L28 PolarHBondContact O-N 3.45Å; L25-L28 PolarHBondContact O-N 3.42Å; E26-L28 VanDerWaalsContact C-N 3.34Å; E26-L28 PolarHBondContact O-N 3.39Å; L28-R31 PolarHBondContact O-N 2.84Å; L28-F32 VanDerWaalsContact O-CB 3.29Å; L28-F32 WeakPolarHBondContact O-CB 3.47Å; L28-F32 PolarHBondContact O-N 3.41Å; L28-L380 HydrophobicContact CB-CD1 4.05Å; L28-L380 HydrophobicContact CD1-CD1 4.08Å; L28-L380 HydrophobicContact CD2-CB 4.24Å; L28-I761 HydrophobicContact CD2-CD1 3.7Å; L28-I761 HydrophobicContact CG-CD1 3.92Å
29	T	58.6	Low	53.4	Low	14 Å²	14	68.9 Å²	68.9	9%	0.086	36%	0.36	C	S	.	.	H	α-helix	trans	-65	-46.9	177.5	-60.6	0	0	0	0	111.7	L25 E26 K27 R31 F32 G33 I321	L25-T29 WeakPolarHBondContact O-CB 3.32Å; L25-T29 PolarHBondContact O-N 3.42Å; L25-T29 PolarHBondContact O-OG1 3.11Å; E26-T29 WeakPolarHBondContact O-CA 3.45Å; E26-T29 VanDerWaalsContact O-CB 3.23Å; E26-T29 WeakPolarHBondContact O-CB 3.21Å; E26-T29 PolarHBondContact O-N 2.98Å; E26-T29 VanDerWaalsContact O-N 3.07Å; K27-T29 VanDerWaalsContact C-N 3.27Å; T29-R31 VanDerWaalsContact C-N 3.35Å; T29-R31 PolarHBondContact O-N 3.28Å; T29-F32 PolarHBondContact O-N 3.42Å; T29-G33 PolarHBondContact O-N 2.98Å; T29-I321 HydrophobicContact CG2-CB 4.3Å; T29-I321 HydrophobicContact CG2-CD1 3.92Å; T29-I321 HydrophobicContact CG2-CG1 4Å; T29-I321 HydrophobicContact CG2-CG2 3.36Å
30	E	60.1	Low	53.7	Low	121 Å²	121	68 Å²	68	57%	0.565	35%	0.349	S	S	*	.	H	α-helix	trans	-59.3	-44.7	175.7	-71.7	-178	157.6	0	0	112.3	E26 F32 G33 S34	E26-E30 PolarHBondContact O-N 3.38Å; E26-E30 VanDerWaalsContact O-N 3.15Å; E30-F32 VanDerWaalsContact C-N 3.33Å; E30-F32 PolarHBondContact O-N 3.03Å; E30-G33 PolarHBondContact O-N 3.02Å; E30-S34 PolarHBondContact O-N 2.81Å; E30-S34 PolarHBondContact O-OG 2.81Å
31	R	61.8	Low	53.6	Low	67 Å²	67	73 Å²	73	25%	0.253	36%	0.364	S	S	.	.	H	α-helix	trans	-64.7	-37.7	177.6	-172.7	174.4	174.4	171.9	-1.4	111.7	K27 L28 T29 F35 D376 I759	K27-R31 PolarHBondContact O-N 3.03Å; L28-R31 PolarHBondContact O-N 2.84Å; T29-R31 VanDerWaalsContact C-N 3.35Å; T29-R31 PolarHBondContact O-N 3.28Å; R31-F35 WeakPolarHBondContact O-CB 3.22Å; R31-F35 PolarHBondContact O-N 3.1Å; R31-F35 VanDerWaalsContact O-N 3.08Å; R31-D376 PolarHBondContact NE-O 2.86Å; R31-D376 VanDerWaalsContact NE-O 3.09Å; R31-D376 PolarHBondContact NH2-O 3.31Å; R31-I759 PolarHBondContact NH1-O 3.24Å; R31-I759 VanDerWaalsContact NH1-O 3.13Å
32	F	66.6	Low	53.2	Low	0 Å²	0	71 Å²	71	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-69.8	-38.5	175.1	-169.4	-102.4	0	0	0	111.8	L28 T29 E30 F35 L36 I242 I244 L270 I321 F324 I339 I377 L380	L28-F32 VanDerWaalsContact O-CB 3.29Å; L28-F32 WeakPolarHBondContact O-CB 3.47Å; L28-F32 PolarHBondContact O-N 3.41Å; T29-F32 PolarHBondContact O-N 3.42Å; E30-F32 VanDerWaalsContact C-N 3.33Å; E30-F32 PolarHBondContact O-N 3.03Å; F32-F35 WeakPolarHBondContact O-CB 3.3Å; F32-F35 PolarHBondContact O-N 2.71Å; F32-L36 HydrophobicContact CD1-CD1 3.79Å; F32-L36 HydrophobicContact CD1-CG 4.41Å; F32-L36 HydrophobicContact CE1-CD1 3.27Å; F32-L36 HydrophobicContact CE1-CG 4.09Å; F32-L36 HydrophobicContact CZ-CD1 3.81Å; F32-L36 HydrophobicContact CZ-CD2 4.26Å; F32-L36 HydrophobicContact CZ-CG 4.3Å; F32-L36 WeakPolarHBondContact O-CG 3.48Å; F32-L36 PolarHBondContact O-N 2.67Å; F32-L36 VanDerWaalsContact O-N 3.13Å; F32-I242 HydrophobicContact CE1-CD1 4.04Å; F32-I242 HydrophobicContact CE1-CG2 4.44Å; F32-I242 HydrophobicContact CZ-CG2 4.06Å; F32-I244 HydrophobicContact CE2-CD1 4.11Å; F32-I244 HydrophobicContact CZ-CD1 4.42Å; F32-L270 HydrophobicContact CE2-CD1 4.2Å; F32-L270 HydrophobicContact CZ-CD1 4.03Å; F32-I321 HydrophobicContact CD1-CD1 4.42Å; F32-F324 HydrophobicContact CD1-CD2 4.48Å; F32-F324 AromaticContact CD1-CE2 3.74Å; F32-F324 HydrophobicContact CD1-CE2 3.74Å; F32-F324 HydrophobicContact CE1-CE2 4.22Å; F32-I339 HydrophobicContact CD1-CD1 3.39Å; F32-I339 HydrophobicContact CD1-CG1 4.16Å; F32-I339 HydrophobicContact CD2-CD1 4.14Å; F32-I339 HydrophobicContact CE1-CD1 3.25Å; F32-I339 HydrophobicContact CE1-CG1 3.55Å; F32-I339 HydrophobicContact CE2-CD1 4.01Å; F32-I339 HydrophobicContact CG-CD1 3.87Å; F32-I339 HydrophobicContact CZ-CD1 3.59Å; F32-I339 HydrophobicContact CZ-CG1 3.84Å; F32-I339 HydrophobicContact CZ-CG2 4.29Å; F32-I377 HydrophobicContact CD2-CB 4.41Å; F32-I377 HydrophobicContact CD2-CD1 3.35Å; F32-I377 HydrophobicContact CD2-CG1 4.46Å; F32-I377 HydrophobicContact CD2-CG2 4.17Å; F32-I377 HydrophobicContact CE2-CD1 3.25Å; F32-L380 HydrophobicContact CB-CD2 4.06Å; F32-L380 HydrophobicContact CD2-CD2 3.59Å; F32-L380 HydrophobicContact CE2-CD2 4.24Å; F32-L380 HydrophobicContact CG-CD2 3.91Å
33	G	63.5	Low	53.1	Low	3 Å²	3	71.4 Å²	71.4	3%	0.031	36%	0.362	C	S	.	.	H	α-helix	trans	-57.8	-51.2	172	0	0	0	0	0	112.4	T29 E30 F35 L36 Y37	T29-G33 PolarHBondContact O-N 2.98Å; E30-G33 PolarHBondContact O-N 3.02Å; G33-F35 PolarHBondContact O-N 2.62Å; G33-L36 PolarHBondContact O-N 2.72Å; G33-Y37 PolarHBondContact O-N 2.69Å
34	S	60.2	Low	52.6	Low	78 Å²	78	69.8 Å²	69.8	55%	0.545	36%	0.359	S	S	.	.	H	α-helix	trans	-63.6	-26.3	177.3	-52.6	0	0	0	0	113.4	E30 Y37 P38	E30-S34 PolarHBondContact O-N 2.81Å; E30-S34 PolarHBondContact O-OG 2.81Å; S34-Y37 CarbonylContact O-C 3.6Å; S34-P38 VanDerWaalsContact O-CA 3.28Å; S34-P38 WeakPolarHBondContact O-CA 3.11Å; S34-P38 VanDerWaalsContact O-N 3.09Å
35	F	62.8	Low	52.4	Low	27 Å²	27	67.5 Å²	67.5	12%	0.118	36%	0.361	C	S	.	.	H	α-helix	trans	-73	-41	176.1	169.6	-101	0	0	0	112.2	R31 F32 G33 P269 L270 D373 I374 I377	R31-F35 WeakPolarHBondContact O-CB 3.22Å; R31-F35 PolarHBondContact O-N 3.1Å; R31-F35 VanDerWaalsContact O-N 3.08Å; F32-F35 WeakPolarHBondContact O-CB 3.3Å; F32-F35 PolarHBondContact O-N 2.71Å; G33-F35 PolarHBondContact O-N 2.62Å; F35-P269 HydrophobicContact CD1-CG 4.23Å; F35-P269 HydrophobicContact CE1-CG 3.45Å; F35-P269 VanDerWaalsContact CE1-CG 3.45Å; F35-P269 HydrophobicContact CE2-CG 4.09Å; F35-P269 HydrophobicContact CZ-CB 4.26Å; F35-P269 HydrophobicContact CZ-CG 3.37Å; F35-L270 HydrophobicContact CE1-CD1 4.37Å; F35-L270 HydrophobicContact CE1-CG 4.45Å; F35-D373 HydrophobicContact CE2-CB 3.57Å; F35-D373 WeakPolarHBondContact CE2-O 3.42Å; F35-D373 HydrophobicContact CZ-CB 3.79Å; F35-I374 HydrophobicContact CE1-CD1 3.6Å; F35-I374 HydrophobicContact CZ-CD1 3.66Å; F35-I374 HydrophobicContact CZ-CG1 4.27Å; F35-I377 HydrophobicContact CB-CG2 4.17Å; F35-I377 HydrophobicContact CD1-CD1 4.16Å; F35-I377 HydrophobicContact CE1-CD1 4.15Å; F35-I377 HydrophobicContact CG-CG2 4.18Å
36	L	63	Low	52.3	Low	0 Å²	0	66.2 Å²	66.2	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-77.8	-35	179.2	-60.6	177.4	0	0	0	111.9	F32 G33 I242 S268 L270 F324	F32-L36 HydrophobicContact CD1-CD1 3.79Å; F32-L36 HydrophobicContact CD1-CG 4.41Å; F32-L36 HydrophobicContact CE1-CD1 3.27Å; F32-L36 HydrophobicContact CE1-CG 4.09Å; F32-L36 HydrophobicContact CZ-CD1 3.81Å; F32-L36 HydrophobicContact CZ-CD2 4.26Å; F32-L36 HydrophobicContact CZ-CG 4.3Å; F32-L36 WeakPolarHBondContact O-CG 3.48Å; F32-L36 PolarHBondContact O-N 2.67Å; F32-L36 VanDerWaalsContact O-N 3.13Å; G33-L36 PolarHBondContact O-N 2.72Å; L36-I242 HydrophobicContact CD1-CD1 3.59Å; L36-S268 WeakPolarHBondContact CD2-OG 3.41Å; L36-S268 VanDerWaalsContact O-CA 3.25Å; L36-S268 WeakPolarHBondContact O-CA 3.36Å; L36-S268 WeakPolarHBondContact O-CB 3.3Å; L36-L270 HydrophobicContact CD2-CB 3.93Å; L36-L270 HydrophobicContact CD2-CD1 4.04Å; L36-L270 HydrophobicContact CD2-CG 4.24Å; L36-F324 HydrophobicContact CB-CZ 4.06Å; L36-F324 HydrophobicContact CD1-CE1 4.3Å; L36-F324 HydrophobicContact CD1-CE2 3.73Å; L36-F324 HydrophobicContact CD1-CZ 3.33Å; L36-F324 HydrophobicContact CG-CZ 4.16Å
37	Y	58.3	Low	52.6	Low	43 Å²	43	65.9 Å²	65.9	17%	0.169	35%	0.354	C	S	.	.	S	Bend	trans	-132.8	85	176.6	-62.1	-85	0	0	0	108.6	G33 S34 A39 G266 M272 F324 H326 P327	G33-Y37 PolarHBondContact O-N 2.69Å; S34-Y37 CarbonylContact O-C 3.6Å; Y37-A39 PolarHBondContact O-N 3.45Å; Y37-G266 WeakPolarHBondContact CD1-O 3.49Å; Y37-G266 WeakPolarHBondContact CE1-O 3.48Å; Y37-M272 HydrophobicContact CE2-CE 4.26Å; Y37-M272 HydrophobicContact CE2-SD 3.53Å; Y37-M272 VanDerWaalsContact CE2-SD 3.53Å; Y37-M272 PolarHBondContact OH-SD 3.39Å; Y37-F324 HydrophobicContact CD2-CE1 4.13Å; Y37-F324 HydrophobicContact CD2-CZ 4.43Å; Y37-F324 HydrophobicContact CE2-CE1 4.07Å; Y37-H326 AromaticContact CD2-CD2 3.74Å; Y37-H326 AromaticContact CE1-NE2 3.67Å; Y37-H326 AromaticContact CE2-CD2 3.25Å; Y37-H326 WeakPolarHBondContact CE2-CD2 3.43Å; Y37-H326 AromaticContact CE2-NE2 3.45Å; Y37-H326 WeakPolarHBondContact CE2-NE2 3.47Å; Y37-H326 AromaticContact CZ-CD2 3.52Å; Y37-H326 AromaticContact CZ-NE2 3.13Å; Y37-H326 PolarHBondContact OH-NE2 3.05Å; Y37-P327 HydrophobicContact CD1-CG 3.75Å; Y37-P327 HydrophobicContact CE1-CG 4.34Å; Y37-P327 HydrophobicContact CG-CG 4.08Å
38	P	48.1	Very low	53.1	Low	44 Å²	44	64.7 Å²	64.7	29%	0.286	35%	0.354	S	S	.	.			trans	-56.6	134.7	166	23.1	-29	0	0	0	107.5	S34 D40 K263	S34-P38 VanDerWaalsContact O-CA 3.28Å; S34-P38 WeakPolarHBondContact O-CA 3.11Å; S34-P38 VanDerWaalsContact O-N 3.09Å; P38-D40 PolarHBondContact O-N 3.1Å; P38-K263 HydrophobicContact CG-CB 4.03Å; P38-K263 HydrophobicContact CG-CG 4.46Å
39	A	43.1	Very low	53.8	Low	87 Å²	87	66.6 Å²	66.6	72%	0.719	36%	0.363	S	S	*	.			trans	-51	131.5	172.7	0	0	0	0	0	107.9	Y37 E41	Y37-A39 PolarHBondContact O-N 3.45Å; A39-E41 PolarHBondContact O-N 3.29Å
40	D	39.6	Very low	54.7	Low	97 Å²	97	70.9 Å²	70.9	52%	0.519	39%	0.389	S	S	.	.			trans	-63	89.5	179.3	-166.5	0.4	0	0	0	108.2	P38 G42	P38-D40 PolarHBondContact O-N 3.1Å; D40-G42 PolarHBondContact O-N 3.21Å; D40-G42 WeakPolarHBondContact OD1-CA 3.34Å; D40-G42 PolarHBondContact OD1-N 3.41Å
41	E	37.9	Very low	55.9	Low	183 Å²	183	66.5 Å²	66.5	86%	0.855	37%	0.367	S	S	*	.			trans	-75	1.5	165.9	-70.6	-175.1	178.6	0	0	110.3	A39 Q43	A39-E41 PolarHBondContact O-N 3.29Å; E41-Q43 PolarHBondContact O-N 3.33Å
42	G	38	Very low	57	Low	22 Å²	22	67.9 Å²	67.9	23%	0.227	38%	0.379	C	S	.	.			trans	-64.6	101	177.6	0	0	0	0	0	111	D40 N44	D40-G42 PolarHBondContact O-N 3.21Å; D40-G42 WeakPolarHBondContact OD1-CA 3.34Å; D40-G42 PolarHBondContact OD1-N 3.41Å; G42-N44 PolarHBondContact O-N 3.43Å
43	Q	36.8	Very low	57.9	Low	159 Å²	159	72.8 Å²	72.8	74%	0.743	41%	0.406	S	S	*	.			trans	-61.3	28	168.5	-62.5	177	-51.3	0	0	114	E41	E41-Q43 PolarHBondContact O-N 3.33Å
44	N	33.9	Very low	59	Low	132 Å²	132	75.3 Å²	75.3	71%	0.706	43%	0.427	S	S	*	.			trans	-106.4	119.9	-175.7	-85.4	-22.8	0	0	0	111.8	G42	G42-N44 PolarHBondContact O-N 3.43Å
45	S	46.2	Very low	60.4	Low	72 Å²	72	75.2 Å²	75.2	50%	0.503	42%	0.42	S	S	.	.	S	Bend	trans	94.7	22.4	157.5	110.3	0	0	0	0	120
46	S	51.5	Low	61.7	Low	17 Å²	17	75.9 Å²	75.9	12%	0.119	42%	0.423	C	S	.	.			trans	-140.7	105.5	159.5	30.5	0	0	0	0	110.1	C165	S46-C165 WeakPolarHBondContact CB-O 3.45Å; S46-C165 VanDerWaalsContact OG-C 3.22Å; S46-C165 PolarHBondContact OG-O 2.71Å
47	E	58.5	Low	63.1	Low	114 Å²	114	79 Å²	79	53%	0.533	44%	0.442	S	S	.	.			trans	-71.2	129.5	174.4	-70.2	169.2	-165.3	0	0	109	E49	E47-E49 PolarHBondContact O-N 3.24Å
48	V	67.4	Low	64.8	Low	62 Å²	62	80.4 Å²	80.4	38%	0.376	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	112.2	165.7	-180	0	0	0	0	106.3	F86 K87 N163 C165	V48-F86 HydrophobicContact CG1-CD1 4.15Å; V48-K87 WeakPolarHBondContact CA-O 3.39Å; V48-N163 HydrophobicContact CG2-CB 4.5Å; V48-N163 VanDerWaalsContact CG2-CG 3.43Å; V48-N163 WeakPolarHBondContact CG2-ND2 3.48Å; V48-N163 WeakPolarHBondContact CG2-OD1 3.38Å; V48-C165 HydrophobicContact CG2-CB 4.17Å
49	E	74.7	Confident	67	Low	57 Å²	57	78.3 Å²	78.3	27%	0.266	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	135.5	177.2	-169.6	-169.6	145.5	0	0	109.9	E47 W51 K87 I89 Q95	E47-E49 PolarHBondContact O-N 3.24Å; E49-W51 PolarHBondContact O-N 3.2Å; E49-K87 HydrophobicContact CB-CB 3.85Å; E49-K87 HydrophobicContact CB-CD 4.29Å; E49-K87 HydrophobicContact CG-CD 4.46Å; E49-K87 PolarHBondContact N-O 3.45Å; E49-K87 IonicContact OE1-NZ 3.47Å; E49-I89 HydrophobicContact CB-CD1 4.23Å; E49-Q95 PolarHBondContact OE2-NE2 2.58Å
50	T	77.2	Confident	69.5	Low	103 Å²	103	74.1 Å²	74.1	63%	0.632	41%	0.407	S	S	*	.			trans	-56.7	130.5	173.8	55	0	0	0	0	110.6
51	W	84.6	Confident	72.2	Confident	30 Å²	30	71.3 Å²	71.3	11%	0.114	39%	0.393	C	S	.	.			trans	-126.8	116.4	-177.1	-166.6	-0.4	0	0	0	110.6	E49 D53 K56 A59 K87 A97 M99 L132	E49-W51 PolarHBondContact O-N 3.2Å; W51-D53 PolarHBondContact O-N 3.41Å; W51-K56 HydrophobicContact CD2-CB 3.82Å; W51-K56 HydrophobicContact CD2-CD 4.46Å; W51-K56 HydrophobicContact CD2-CG 3.98Å; W51-K56 HydrophobicContact CE3-CB 4.35Å; W51-K56 HydrophobicContact CE3-CD 4.28Å; W51-K56 HydrophobicContact CE3-CG 3.98Å; W51-K56 HydrophobicContact CG-CB 4.01Å; W51-K56 HydrophobicContact CZ2-CB 4.45Å; W51-K56 HydrophobicContact CZ3-CG 4.33Å; W51-A59 HydrophobicContact CH2-CB 4.37Å; W51-A59 HydrophobicContact CZ2-CB 3.7Å; W51-K87 HydrophobicContact CB-CD 4.41Å; W51-K87 HydrophobicContact CD2-CD 4.31Å; W51-K87 HydrophobicContact CD2-CG 3.99Å; W51-K87 HydrophobicContact CE3-CG 3.88Å; W51-K87 HydrophobicContact CG-CD 4.21Å; W51-K87 HydrophobicContact CG-CG 4.34Å; W51-K87 HydrophobicContact CZ3-CG 4.23Å; W51-A97 HydrophobicContact CH2-CB 4.1Å; W51-A97 HydrophobicContact CZ3-CB 4.43Å; W51-M99 HydrophobicContact CH2-CE 3.29Å; W51-M99 HydrophobicContact CH2-CG 4.33Å; W51-M99 HydrophobicContact CZ2-CE 3.83Å; W51-M99 HydrophobicContact CZ3-CE 4.28Å; W51-L132 HydrophobicContact CH2-CD1 3.54Å; W51-L132 HydrophobicContact CZ2-CD1 3.44Å; W51-L132 VanDerWaalsContact CZ2-CD1 3.44Å
52	N	86.1	Confident	74.9	Confident	95 Å²	95	64.1 Å²	64.1	51%	0.508	36%	0.361	S	S	.	.			trans	-51.3	129.5	174.9	177.1	-7.7	0	0	0	111.3	A54 D55 K56	N52-A54 VanDerWaalsContact C-N 3.29Å; N52-A54 PolarHBondContact O-N 3.34Å; N52-A54 PolarHBondContact OD1-N 3.34Å; N52-D55 HydrophobicContact CB-CB 4.26Å; N52-D55 PolarHBondContact ND2-OD2 2.84Å; N52-D55 PolarHBondContact O-N 3.19Å; N52-K56 VanDerWaalsContact O-CB 3.29Å; N52-K56 WeakPolarHBondContact O-CB 2.96Å; N52-K56 PolarHBondContact O-N 3.31Å
53	D	85.2	Confident	77.7	Confident	103 Å²	103	63 Å²	63	55%	0.551	35%	0.35	S	S	*	.	H	α-helix	trans	-57.9	-36.4	-178.8	-72.9	-38	0	0	0	113.7	W51 K56 T57	W51-D53 PolarHBondContact O-N 3.41Å; D53-K56 VanDerWaalsContact OD1-CE 3.24Å; D53-K56 WeakPolarHBondContact OD1-CE 3.23Å; D53-K56 IonicContact OD1-NZ 3.96Å; D53-K56 PolarHBondContact OD1-NZ 2.8Å; D53-T57 VanDerWaalsContact O-CB 3.26Å; D53-T57 WeakPolarHBondContact O-CB 3.34Å; D53-T57 PolarHBondContact O-N 3.41Å; D53-T57 PolarHBondContact O-OG1 3.34Å
54	A	85.3	Confident	80.6	Confident	57 Å²	57	56.5 Å²	56.5	47%	0.471	32%	0.319	S	S	.	.	H	α-helix	trans	-67.4	-44.7	177.9	0	0	0	0	0	111.4	N52 T57 T58	N52-A54 VanDerWaalsContact C-N 3.29Å; N52-A54 PolarHBondContact O-N 3.34Å; N52-A54 PolarHBondContact OD1-N 3.34Å; A54-T57 PolarHBondContact O-N 2.78Å; A54-T58 WeakPolarHBondContact O-CB 3.36Å; A54-T58 PolarHBondContact O-N 2.75Å; A54-T58 PolarHBondContact O-OG1 3.4Å
55	D	89.4	Confident	83.5	Confident	75 Å²	75	57.2 Å²	57.2	40%	0.401	31%	0.312	S	S	.	.	H	α-helix	trans	-67.8	-40.6	177.1	-66.4	-34.5	0	0	0	111.1	N52 T58 A59	N52-D55 HydrophobicContact CB-CB 4.26Å; N52-D55 PolarHBondContact ND2-OD2 2.84Å; N52-D55 PolarHBondContact O-N 3.19Å; D55-T58 PolarHBondContact O-N 3.44Å; D55-A59 VanDerWaalsContact O-CB 3.28Å; D55-A59 WeakPolarHBondContact O-CB 3.47Å; D55-A59 PolarHBondContact O-N 3Å
56	K	91.9	Very high	85.8	Confident	42 Å²	42	55.8 Å²	55.8	18%	0.183	30%	0.298	C	S	.	.	H	α-helix	trans	-60.2	-45.4	174.9	-177.1	178.6	66.7	-168.3	0	111.1	W51 N52 D53 A59 A60 I82	W51-K56 HydrophobicContact CD2-CB 3.82Å; W51-K56 HydrophobicContact CD2-CD 4.46Å; W51-K56 HydrophobicContact CD2-CG 3.98Å; W51-K56 HydrophobicContact CE3-CB 4.35Å; W51-K56 HydrophobicContact CE3-CD 4.28Å; W51-K56 HydrophobicContact CE3-CG 3.98Å; W51-K56 HydrophobicContact CG-CB 4.01Å; W51-K56 HydrophobicContact CZ2-CB 4.45Å; W51-K56 HydrophobicContact CZ3-CG 4.33Å; N52-K56 VanDerWaalsContact O-CB 3.29Å; N52-K56 WeakPolarHBondContact O-CB 2.96Å; N52-K56 PolarHBondContact O-N 3.31Å; D53-K56 VanDerWaalsContact OD1-CE 3.24Å; D53-K56 WeakPolarHBondContact OD1-CE 3.23Å; D53-K56 IonicContact OD1-NZ 3.96Å; D53-K56 PolarHBondContact OD1-NZ 2.8Å; K56-A59 PolarHBondContact O-N 3.41Å; K56-A60 WeakPolarHBondContact O-CB 3.39Å; K56-A60 PolarHBondContact O-N 2.89Å; K56-I82 HydrophobicContact CD-CD1 3.97Å; K56-I82 HydrophobicContact CG-CD1 3.63Å
57	T	91.6	Very high	87.9	Confident	66 Å²	66	55 Å²	55	41%	0.405	29%	0.293	S	S	.	.	H	α-helix	trans	-66.5	-41	177.7	-57.6	0	0	0	0	111.8	D53 A54 A60 T61	D53-T57 VanDerWaalsContact O-CB 3.26Å; D53-T57 WeakPolarHBondContact O-CB 3.34Å; D53-T57 PolarHBondContact O-N 3.41Å; D53-T57 PolarHBondContact O-OG1 3.34Å; A54-T57 PolarHBondContact O-N 2.78Å; T57-A60 PolarHBondContact O-N 3.14Å; T57-T61 PolarHBondContact O-N 3.42Å; T57-T61 PolarHBondContact O-OG1 3.15Å
58	T	93.4	Very high	89.7	Confident	71 Å²	71	51.4 Å²	51.4	44%	0.436	28%	0.277	S	S	.	.	H	α-helix	trans	-60.9	-46.9	174.3	-58.9	0	0	0	0	111	A54 D55 T61 N62	A54-T58 WeakPolarHBondContact O-CB 3.36Å; A54-T58 PolarHBondContact O-N 2.75Å; A54-T58 PolarHBondContact O-OG1 3.4Å; D55-T58 PolarHBondContact O-N 3.44Å; T58-T61 WeakPolarHBondContact O-CB 3.49Å; T58-T61 PolarHBondContact O-N 3.12Å; T58-N62 PolarHBondContact O-N 3.35Å; T58-N62 PolarHBondContact O-ND2 3.23Å
59	A	94.9	Very high	90.8	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-65.1	-41.7	178.8	0	0	0	0	0	111.9	W51 D55 K56 T61 N62 V63 M99 L132 S135	W51-A59 HydrophobicContact CH2-CB 4.37Å; W51-A59 HydrophobicContact CZ2-CB 3.7Å; D55-A59 VanDerWaalsContact O-CB 3.28Å; D55-A59 WeakPolarHBondContact O-CB 3.47Å; D55-A59 PolarHBondContact O-N 3Å; K56-A59 PolarHBondContact O-N 3.41Å; A59-T61 VanDerWaalsContact C-N 3.3Å; A59-T61 PolarHBondContact O-N 2.77Å; A59-N62 PolarHBondContact O-N 3.42Å; A59-N62 VanDerWaalsContact O-N 3.16Å; A59-V63 WeakPolarHBondContact O-CG2 3.27Å; A59-V63 PolarHBondContact O-N 3Å; A59-M99 HydrophobicContact CB-CE 3.32Å; A59-L132 HydrophobicContact CB-CD1 3.95Å; A59-L132 HydrophobicContact CB-CD2 4.45Å; A59-S135 WeakPolarHBondContact CA-O 3.35Å
60	A	95.9	Very high	91.7	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-59.9	-39.4	174.2	0	0	0	0	0	112.5	K56 T57 V63 F64 F79 I82 M99 L101	K56-A60 WeakPolarHBondContact O-CB 3.39Å; K56-A60 PolarHBondContact O-N 2.89Å; T57-A60 PolarHBondContact O-N 3.14Å; A60-V63 PolarHBondContact O-N 3.05Å; A60-F64 WeakPolarHBondContact O-CB 3.31Å; A60-F64 PolarHBondContact O-N 2.96Å; A60-F79 HydrophobicContact CB-CZ 4.16Å; A60-I82 HydrophobicContact CB-CB 4.18Å; A60-I82 HydrophobicContact CB-CD1 3.99Å; A60-I82 HydrophobicContact CB-CG1 4.34Å; A60-M99 VanDerWaalsContact CA-SD 3.54Å; A60-M99 HydrophobicContact CB-SD 4.05Å; A60-L101 HydrophobicContact CB-CD2 3.78Å
61	T	94.9	Very high	92.4	Very high	37 Å²	37	49.8 Å²	49.8	23%	0.227	27%	0.272	C	S	.	.	H	α-helix	trans	-65.5	-40.4	175.3	-53.9	0	0	0	0	111.4	T57 T58 A59 F64 R65	T57-T61 PolarHBondContact O-N 3.42Å; T57-T61 PolarHBondContact O-OG1 3.15Å; T58-T61 WeakPolarHBondContact O-CB 3.49Å; T58-T61 PolarHBondContact O-N 3.12Å; A59-T61 VanDerWaalsContact C-N 3.3Å; A59-T61 PolarHBondContact O-N 2.77Å; T61-F64 WeakPolarHBondContact O-CB 3.42Å; T61-F64 PolarHBondContact O-N 2.82Å; T61-R65 WeakPolarHBondContact O-CG 3.13Å; T61-R65 PolarHBondContact O-N 3.36Å
62	N	96.2	Very high	92.4	Very high	32 Å²	32	55.1 Å²	55.1	17%	0.171	30%	0.303	C	S	.	.	H	α-helix	trans	-68.2	-41	176.3	-71.3	-28	0	0	0	112.4	T58 A59 F64 R65 L66 S135 P137	T58-N62 PolarHBondContact O-N 3.35Å; T58-N62 PolarHBondContact O-ND2 3.23Å; A59-N62 PolarHBondContact O-N 3.42Å; A59-N62 VanDerWaalsContact O-N 3.16Å; N62-F64 VanDerWaalsContact C-N 3.35Å; N62-R65 PolarHBondContact O-N 3.34Å; N62-R65 PolarHBondContact OD1-NH1 3.29Å; N62-L66 PolarHBondContact O-N 2.73Å; N62-S135 PolarHBondContact ND2-O 2.73Å; N62-P137 HydrophobicContact CB-CG 4.44Å
63	V	96.6	Very high	92.4	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-62.6	-43.1	172.4	170.9	0	0	0	0	110.6	A59 A60 R65 L66 L67 M99 L101 W128 P137	A59-V63 WeakPolarHBondContact O-CG2 3.27Å; A59-V63 PolarHBondContact O-N 3Å; A60-V63 PolarHBondContact O-N 3.05Å; V63-R65 VanDerWaalsContact C-N 3.34Å; V63-R65 PolarHBondContact O-N 3.04Å; V63-L66 WeakPolarHBondContact O-CB 3.44Å; V63-L66 PolarHBondContact O-N 3.07Å; V63-L66 VanDerWaalsContact O-N 3.15Å; V63-L67 HydrophobicContact CG1-CD1 4.05Å; V63-L67 HydrophobicContact CG1-CG 4.29Å; V63-L67 WeakPolarHBondContact O-CG 3.4Å; V63-L67 PolarHBondContact O-N 3.21Å; V63-M99 HydrophobicContact CB-SD 4.02Å; V63-M99 HydrophobicContact CG1-SD 4.45Å; V63-M99 HydrophobicContact CG2-CE 3.86Å; V63-M99 HydrophobicContact CG2-SD 3.64Å; V63-L101 HydrophobicContact CB-CD1 4.33Å; V63-L101 HydrophobicContact CG1-CD1 3.87Å; V63-W128 HydrophobicContact CG1-CB 3.47Å; V63-W128 VanDerWaalsContact CG1-CB 3.47Å; V63-W128 HydrophobicContact CG1-CD2 3.84Å; V63-W128 HydrophobicContact CG1-CE3 4.25Å; V63-W128 HydrophobicContact CG1-CG 3.5Å; V63-W128 VanDerWaalsContact CG1-CG 3.5Å; V63-W128 HydrophobicContact CG2-CD2 3.8Å; V63-W128 HydrophobicContact CG2-CE3 3.68Å; V63-W128 HydrophobicContact CG2-CG 4.36Å; V63-W128 HydrophobicContact CG2-CH2 4.36Å; V63-W128 HydrophobicContact CG2-CZ2 4.48Å; V63-W128 HydrophobicContact CG2-CZ3 3.96Å; V63-P137 HydrophobicContact CB-CG 4.49Å; V63-P137 HydrophobicContact CG2-CG 3.67Å
64	F	96.5	Very high	92.3	Very high	21 Å²	21	52.1 Å²	52.1	9%	0.092	29%	0.288	C	S	.	.	H	α-helix	trans	-56.3	-48	174	167.4	-113.1	0	0	0	111.2	A60 T61 N62 L66 L67 L68 F79 L101 L103	A60-F64 WeakPolarHBondContact O-CB 3.31Å; A60-F64 PolarHBondContact O-N 2.96Å; T61-F64 WeakPolarHBondContact O-CB 3.42Å; T61-F64 PolarHBondContact O-N 2.82Å; N62-F64 VanDerWaalsContact C-N 3.35Å; F64-L66 VanDerWaalsContact C-N 3.3Å; F64-L66 PolarHBondContact O-N 3.18Å; F64-L67 PolarHBondContact O-N 3.23Å; F64-L68 HydrophobicContact CE1-CD2 3.96Å; F64-L68 HydrophobicContact CE2-CB 4.32Å; F64-L68 HydrophobicContact CE2-CD1 4.02Å; F64-L68 HydrophobicContact CZ-CB 4.38Å; F64-L68 HydrophobicContact CZ-CD1 3.88Å; F64-L68 HydrophobicContact CZ-CD2 3.85Å; F64-L68 HydrophobicContact CZ-CG 4.26Å; F64-L68 WeakPolarHBondContact O-CB 3.23Å; F64-L68 PolarHBondContact O-N 3.32Å; F64-F79 HydrophobicContact CB-CD2 3.82Å; F64-F79 HydrophobicContact CB-CE2 4.38Å; F64-F79 HydrophobicContact CB-CG 4.44Å; F64-F79 HydrophobicContact CD1-CB 3.67Å; F64-F79 HydrophobicContact CD1-CD2 4.41Å; F64-F79 HydrophobicContact CD1-CG 4.29Å; F64-F79 HydrophobicContact CD2-CB 4.2Å; F64-F79 HydrophobicContact CD2-CD2 4.17Å; F64-F79 HydrophobicContact CE1-CB 3.73Å; F64-F79 HydrophobicContact CE2-CB 4.26Å; F64-F79 HydrophobicContact CG-CB 3.89Å; F64-F79 AromaticContact CG-CD2 3.86Å; F64-F79 HydrophobicContact CG-CD2 3.86Å; F64-F79 HydrophobicContact CG-CG 4.2Å; F64-F79 HydrophobicContact CZ-CB 4.03Å; F64-L101 HydrophobicContact CB-CD1 4.08Å; F64-L103 HydrophobicContact CD2-CD1 4.13Å; F64-L103 HydrophobicContact CD2-CD2 3.38Å; F64-L103 HydrophobicContact CD2-CG 4.39Å; F64-L103 HydrophobicContact CE2-CD1 4.02Å; F64-L103 HydrophobicContact CE2-CD2 3.66Å; F64-L103 HydrophobicContact CE2-CG 4.38Å; F64-L103 HydrophobicContact CG-CD2 4.39Å
65	R	95	Very high	92.2	Very high	147 Å²	147	56.4 Å²	56.4	56%	0.555	30%	0.298	S	S	*	.	H	α-helix	trans	-58.6	-40.6	176.3	-69.6	174.6	-172.1	128	-0	112.4	T61 N62 V63 L68 A69	T61-R65 WeakPolarHBondContact O-CG 3.13Å; T61-R65 PolarHBondContact O-N 3.36Å; N62-R65 PolarHBondContact O-N 3.34Å; N62-R65 PolarHBondContact OD1-NH1 3.29Å; V63-R65 VanDerWaalsContact C-N 3.34Å; V63-R65 PolarHBondContact O-N 3.04Å; R65-L68 PolarHBondContact O-N 3.43Å; R65-A69 PolarHBondContact O-N 2.87Å; R65-A69 VanDerWaalsContact O-N 3.15Å
66	L	95.4	Very high	92.1	Very high	43 Å²	43	54.4 Å²	54.4	23%	0.225	29%	0.286	C	S	.	.	H	α-helix	trans	-62.2	-45.8	175.6	178.6	157.2	0	0	0	111.7	N62 V63 F64 K70 P137	N62-L66 PolarHBondContact O-N 2.73Å; V63-L66 WeakPolarHBondContact O-CB 3.44Å; V63-L66 PolarHBondContact O-N 3.07Å; V63-L66 VanDerWaalsContact O-N 3.15Å; F64-L66 VanDerWaalsContact C-N 3.3Å; F64-L66 PolarHBondContact O-N 3.18Å; L66-K70 HydrophobicContact CD2-CD 4.14Å; L66-P137 HydrophobicContact CD1-CB 3.56Å; L66-P137 HydrophobicContact CD1-CG 4.04Å
67	L	96	Very high	92.1	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-70.2	-37.6	178.5	-65.8	178.2	0	0	0	111.6	V63 F64 A69 K70 L71 L101 C126 W128 Y143 L193	V63-L67 HydrophobicContact CG1-CD1 4.05Å; V63-L67 HydrophobicContact CG1-CG 4.29Å; V63-L67 WeakPolarHBondContact O-CG 3.4Å; V63-L67 PolarHBondContact O-N 3.21Å; F64-L67 PolarHBondContact O-N 3.23Å; L67-A69 VanDerWaalsContact C-N 3.28Å; L67-A69 PolarHBondContact O-N 3.08Å; L67-K70 CarbonylContact O-C 3.56Å; L67-K70 WeakPolarHBondContact O-CA 3.4Å; L67-K70 WeakPolarHBondContact O-CB 2.79Å; L67-K70 PolarHBondContact O-N 3.05Å; L67-L71 WeakPolarHBondContact O-CG 3.33Å; L67-L71 PolarHBondContact O-N 3.1Å; L67-L101 HydrophobicContact CD1-CD1 4.25Å; L67-C126 HydrophobicContact CD1-CB 3.9Å; L67-W128 HydrophobicContact CD1-CB 4.47Å; L67-Y143 HydrophobicContact CD2-CD2 4.08Å; L67-Y143 HydrophobicContact CD2-CG 3.84Å; L67-L193 HydrophobicContact CD2-CD1 4.26Å
68	L	95	Very high	92	Very high	38 Å²	38	53.6 Å²	53.6	20%	0.199	28%	0.28	C	S	.	.	H	α-helix	trans	-59	-40.3	177.9	-171.3	65.6	0	0	0	111.4	F64 R65 K70 L71 S74 F77	F64-L68 HydrophobicContact CE1-CD2 3.96Å; F64-L68 HydrophobicContact CE2-CB 4.32Å; F64-L68 HydrophobicContact CE2-CD1 4.02Å; F64-L68 HydrophobicContact CZ-CB 4.38Å; F64-L68 HydrophobicContact CZ-CD1 3.88Å; F64-L68 HydrophobicContact CZ-CD2 3.85Å; F64-L68 HydrophobicContact CZ-CG 4.26Å; F64-L68 WeakPolarHBondContact O-CB 3.23Å; F64-L68 PolarHBondContact O-N 3.32Å; R65-L68 PolarHBondContact O-N 3.43Å; L68-K70 PolarHBondContact O-N 3.24Å; L68-L71 PolarHBondContact O-N 3.13Å; L68-S74 VanDerWaalsContact CD1-O 3.23Å; L68-S74 WeakPolarHBondContact CD1-O 2.83Å; L68-S74 WeakPolarHBondContact O-CB 3.43Å; L68-F77 HydrophobicContact CD1-CB 3.82Å
69	A	91.8	Very high	92	Very high	88 Å²	88	53 Å²	53	73%	0.727	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-17.6	174.6	0	0	0	0	0	113.8	R65 L67	R65-A69 PolarHBondContact O-N 2.87Å; R65-A69 VanDerWaalsContact O-N 3.15Å; L67-A69 VanDerWaalsContact C-N 3.28Å; L67-A69 PolarHBondContact O-N 3.08Å
70	K	92.9	Very high	91.7	Very high	92 Å²	92	55.4 Å²	55.4	40%	0.4	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-19	178.6	-64.5	171.5	173.2	-68.9	0	112.9	L66 L67 L68 Y143 L193	L66-K70 HydrophobicContact CD2-CD 4.14Å; L67-K70 CarbonylContact O-C 3.56Å; L67-K70 WeakPolarHBondContact O-CA 3.4Å; L67-K70 WeakPolarHBondContact O-CB 2.79Å; L67-K70 PolarHBondContact O-N 3.05Å; L68-K70 PolarHBondContact O-N 3.24Å; K70-Y143 HydrophobicContact CD-CE1 3.97Å; K70-Y143 HydrophobicContact CD-CE2 3.92Å; K70-Y143 PolarHBondContact NZ-OH 3.1Å; K70-Y143 VanDerWaalsContact NZ-OH 3.15Å; K70-L193 HydrophobicContact CB-CD1 3.93Å; K70-L193 HydrophobicContact CB-CD2 3.97Å; K70-L193 WeakPolarHBondContact O-CD2 3.22Å
71	L	92	Very high	91.5	Very high	9 Å²	9	58.4 Å²	58.4	5%	0.047	31%	0.305	C	S	.	.	S	Bend	trans	-79.3	132	179.6	-74	168	0	0	0	110.9	L67 L68 Q73 S74 F77 L103 C145 L192 L193	L67-L71 WeakPolarHBondContact O-CG 3.33Å; L67-L71 PolarHBondContact O-N 3.1Å; L68-L71 PolarHBondContact O-N 3.13Å; L71-Q73 PolarHBondContact O-N 3.19Å; L71-S74 PolarHBondContact O-N 3.07Å; L71-F77 HydrophobicContact CB-CD2 4.38Å; L71-F77 HydrophobicContact CB-CE2 4.21Å; L71-F77 HydrophobicContact CD1-CD1 4.14Å; L71-F77 HydrophobicContact CD1-CD2 4.27Å; L71-F77 HydrophobicContact CD1-CE1 4.36Å; L71-F77 HydrophobicContact CD1-CE2 4.5Å; L71-F77 HydrophobicContact CD1-CG 4.08Å; L71-F77 HydrophobicContact CD2-CZ 4.47Å; L71-L103 HydrophobicContact CD1-CD1 4.09Å; L71-C145 HydrophobicContact CD2-CB 4.43Å; L71-L192 HydrophobicContact CD2-CB 3.76Å; L71-L192 HydrophobicContact CD2-CD1 4.25Å; L71-L193 HydrophobicContact CD2-CD1 3.85Å; L71-L193 HydrophobicContact CD2-CD2 4.46Å; L71-L193 HydrophobicContact CD2-CG 3.75Å; L71-L193 HydrophobicContact CG-CD1 3.94Å; L71-L193 HydrophobicContact CG-CG 4.34Å
72	D	85.2	Confident	91.3	Very high	142 Å²	142	58.1 Å²	58.1	76%	0.759	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	135.1	170.5	-77.3	-20.4	0	0	0	110.9	S74 F77	D72-S74 VanDerWaalsContact C-N 3.34Å; D72-F77 WeakPolarHBondContact O-CE2 3.32Å
73	Q	84.3	Confident	91	Very high	88 Å²	88	57.6 Å²	57.6	41%	0.411	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.7	47.4	-177.4	-53.4	171.6	-7.5	0	0	111.8	L71 Q75 K76	L71-Q73 PolarHBondContact O-N 3.19Å; Q73-Q75 PolarHBondContact O-N 2.79Å; Q73-Q75 PolarHBondContact O-OE1 3.39Å; Q73-K76 HydrophobicContact CB-CD 3.93Å; Q73-K76 HydrophobicContact CB-CG 4.2Å; Q73-K76 WeakPolarHBondContact O-CB 3.32Å; Q73-K76 PolarHBondContact O-N 3.16Å
74	S	84.3	Confident	90.6	Very high	47 Å²	47	58 Å²	58	33%	0.329	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-44.5	-35.8	-178.7	59.5	0	0	0	0	114.5	L68 L71 D72 K76 F77	L68-S74 VanDerWaalsContact CD1-O 3.23Å; L68-S74 WeakPolarHBondContact CD1-O 2.83Å; L68-S74 WeakPolarHBondContact O-CB 3.43Å; L71-S74 PolarHBondContact O-N 3.07Å; D72-S74 VanDerWaalsContact C-N 3.34Å; S74-K76 PolarHBondContact O-N 3.15Å; S74-F77 PolarHBondContact O-N 3.48Å
75	Q	83.7	Confident	90.4	Very high	146 Å²	146	57.6 Å²	57.6	68%	0.682	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-58.4	-13	176.3	72.1	-80.1	9.2	0	0	115.2	Q73	Q73-Q75 PolarHBondContact O-N 2.79Å; Q73-Q75 PolarHBondContact O-OE1 3.39Å
76	K	86.7	Confident	90.2	Very high	34 Å²	34	51.7 Å²	51.7	15%	0.148	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-86.4	-10.5	178.2	-67.5	-175.2	169	-174.5	0	114.1	Q73 S74 R105 H106	Q73-K76 HydrophobicContact CB-CD 3.93Å; Q73-K76 HydrophobicContact CB-CG 4.2Å; Q73-K76 WeakPolarHBondContact O-CB 3.32Å; Q73-K76 PolarHBondContact O-N 3.16Å; S74-K76 PolarHBondContact O-N 3.15Å; K76-R105 HydrophobicContact CB-CG 4.35Å; K76-R105 WeakPolarHBondContact O-CA 3.24Å; K76-H106 PolarHBondContact O-N 3.5Å; K76-H106 PolarHBondContact O-ND1 3.1Å
77	F	91.5	Very high	89.9	Confident	6 Å²	6	51.9 Å²	51.9	3%	0.026	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	130	-170.5	-60.6	-94.8	0	0	0	111	L68 L71 D72 S74 L104 R105 V124 L192	L68-F77 HydrophobicContact CD1-CB 3.82Å; L71-F77 HydrophobicContact CB-CD2 4.38Å; L71-F77 HydrophobicContact CB-CE2 4.21Å; L71-F77 HydrophobicContact CD1-CD1 4.14Å; L71-F77 HydrophobicContact CD1-CD2 4.27Å; L71-F77 HydrophobicContact CD1-CE1 4.36Å; L71-F77 HydrophobicContact CD1-CE2 4.5Å; L71-F77 HydrophobicContact CD1-CG 4.08Å; L71-F77 HydrophobicContact CD2-CZ 4.47Å; D72-F77 WeakPolarHBondContact O-CE2 3.32Å; S74-F77 PolarHBondContact O-N 3.48Å; F77-L104 WeakPolarHBondContact CA-O 3.49Å; F77-R105 HydrophobicContact CD1-CB 3.92Å; F77-R105 HydrophobicContact CD1-CG 4.05Å; F77-R105 HydrophobicContact CE1-CB 3.81Å; F77-R105 HydrophobicContact CE1-CG 3.66Å; F77-R105 HydrophobicContact CE2-CG 4.49Å; F77-R105 HydrophobicContact CZ-CG 3.91Å; F77-V124 HydrophobicContact CD1-CG2 4.21Å; F77-V124 HydrophobicContact CE1-CG2 3.91Å; F77-L192 HydrophobicContact CE1-CD1 3.79Å; F77-L192 HydrophobicContact CZ-CD1 4.08Å
78	N	90.7	Very high	89.5	Confident	85 Å²	85	51.9 Å²	51.9	46%	0.455	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	144.6	170.6	-80.8	-1.3	0	0	0	110.4	S80 L103 L104 H106	N78-S80 PolarHBondContact O-N 2.81Å; N78-L103 CarbonylContact O-C 3.44Å; N78-L103 VanDerWaalsContact O-CA 3.26Å; N78-L103 WeakPolarHBondContact O-CA 3.45Å; N78-L103 WeakPolarHBondContact O-CB 3.31Å; N78-L104 PolarHBondContact N-O 3.39Å; N78-L104 PolarHBondContact O-N 2.84Å; N78-H106 PolarHBondContact ND2-CE1 3.04Å; N78-H106 VanDerWaalsContact ND2-CE1 3.31Å
79	F	91.8	Very high	88.8	Confident	58 Å²	58	52.2 Å²	52.2	25%	0.254	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	122.3	168	-174.6	-112.9	0	0	0	109.4	A60 F64 N81 I82 L101 L103	A60-F79 HydrophobicContact CB-CZ 4.16Å; F64-F79 HydrophobicContact CB-CD2 3.82Å; F64-F79 HydrophobicContact CB-CE2 4.38Å; F64-F79 HydrophobicContact CB-CG 4.44Å; F64-F79 HydrophobicContact CD1-CB 3.67Å; F64-F79 HydrophobicContact CD1-CD2 4.41Å; F64-F79 HydrophobicContact CD1-CG 4.29Å; F64-F79 HydrophobicContact CD2-CB 4.2Å; F64-F79 HydrophobicContact CD2-CD2 4.17Å; F64-F79 HydrophobicContact CE1-CB 3.73Å; F64-F79 HydrophobicContact CE2-CB 4.26Å; F64-F79 HydrophobicContact CG-CB 3.89Å; F64-F79 AromaticContact CG-CD2 3.86Å; F64-F79 HydrophobicContact CG-CD2 3.86Å; F64-F79 HydrophobicContact CG-CG 4.2Å; F64-F79 HydrophobicContact CZ-CB 4.03Å; F79-N81 VanDerWaalsContact CZ-C 3.47Å; F79-I82 HydrophobicContact CZ-CB 4.44Å; F79-L101 HydrophobicContact CE2-CB 4.17Å; F79-L101 HydrophobicContact CE2-CD1 4.25Å; F79-L101 HydrophobicContact CE2-CD2 4.03Å; F79-L101 HydrophobicContact CE2-CG 4.37Å; F79-L103 HydrophobicContact CD2-CD2 3.91Å
80	S	89.4	Confident	87.8	Confident	51 Å²	51	48.3 Å²	48.3	36%	0.357	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	-64	176.1	-165.3	0	0	0	0	109.7	N78 K102	N78-S80 PolarHBondContact O-N 2.81Å; S80-K102 WeakPolarHBondContact CA-O 3.49Å; S80-K102 WeakPolarHBondContact CB-O 3.37Å; S80-K102 PolarHBondContact N-O 3.05Å
81	N	90.7	Very high	86.4	Confident	62 Å²	62	49.8 Å²	49.8	33%	0.332	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.1	167.3	178.6	62.9	-49.6	0	0	0	111.4	F79 K102	F79-N81 VanDerWaalsContact CZ-C 3.47Å; N81-K102 PolarHBondContact N-O 3.29Å; N81-K102 PolarHBondContact O-N 2.87Å; N81-K102 WeakPolarHBondContact OD1-CB 3.36Å; N81-K102 WeakPolarHBondContact OD1-CD 3.5Å
82	I	92.2	Very high	85.1	Confident	31 Å²	31	54.8 Å²	54.8	16%	0.159	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	132.1	163	-172.1	179.8	0	0	0	108.7	K56 A60 F79 H100 L101	K56-I82 HydrophobicContact CD-CD1 3.97Å; K56-I82 HydrophobicContact CG-CD1 3.63Å; A60-I82 HydrophobicContact CB-CB 4.18Å; A60-I82 HydrophobicContact CB-CD1 3.99Å; A60-I82 HydrophobicContact CB-CG1 4.34Å; F79-I82 HydrophobicContact CZ-CB 4.44Å; I82-H100 WeakPolarHBondContact CG1-O 3.21Å; I82-L101 HydrophobicContact CB-CD2 4.34Å; I82-L101 HydrophobicContact CG1-CD2 4.08Å
83	I	89.1	Confident	84.2	Confident	21 Å²	21	54 Å²	54	11%	0.108	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	-48	173.4	-61.9	169.2	0	0	0	109.4	H100 K102 Y125 E156 L159 A160	I83-H100 HydrophobicContact CB-CB 3.94Å; I83-H100 HydrophobicContact CG2-CB 4.5Å; I83-H100 PolarHBondContact N-O 2.85Å; I83-K102 HydrophobicContact CD1-CB 4.07Å; I83-K102 HydrophobicContact CG1-CB 4.11Å; I83-Y125 HydrophobicContact CD1-CD1 3.67Å; I83-Y125 HydrophobicContact CD1-CE1 3.96Å; I83-E156 HydrophobicContact CD1-CG 4.21Å; I83-E156 HydrophobicContact CG2-CB 4.3Å; I83-E156 VanDerWaalsContact CG2-O 3.27Å; I83-E156 WeakPolarHBondContact CG2-O 3.42Å; I83-L159 HydrophobicContact CG2-CB 4.01Å; I83-A160 HydrophobicContact CG2-CB 4.24Å; I83-A160 VanDerWaalsContact O-CB 3.31Å; I83-A160 WeakPolarHBondContact O-CB 2.91Å
84	G	89.2	Confident	83.6	Confident	8 Å²	8	55 Å²	55	8%	0.082	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	149.8	179.3	0	0	0	0	0	111.3	H100	G84-H100 PolarHBondContact O-N 3.18Å
85	G	90.8	Very high	83.4	Confident	13 Å²	13	57.5 Å²	57.5	13%	0.134	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	122.6	-179.4	0	0	0	0	0	110.6	I98	G85-I98 CarbonylContact C-O 3.56Å; G85-I98 WeakPolarHBondContact CA-O 3.31Å
86	F	91.3	Very high	83.6	Confident	24 Å²	24	51.3 Å²	51.3	11%	0.105	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	136.9	-169.1	-53.4	-91.6	0	0	0	110.4	V48 A97 I98 L162 P164	V48-F86 HydrophobicContact CG1-CD1 4.15Å; F86-A97 CarbonylContact O-C 3.48Å; F86-A97 VanDerWaalsContact O-CA 3.27Å; F86-A97 WeakPolarHBondContact O-CA 2.92Å; F86-I98 PolarHBondContact N-O 3.37Å; F86-I98 PolarHBondContact O-N 3.06Å; F86-L162 WeakPolarHBondContact CE1-O 3.18Å; F86-L162 WeakPolarHBondContact CZ-O 3.06Å; F86-P164 HydrophobicContact CB-CG 3.88Å; F86-P164 HydrophobicContact CD1-CG 4.09Å; F86-P164 HydrophobicContact CD2-CG 3.3Å; F86-P164 HydrophobicContact CE1-CG 4.47Å; F86-P164 HydrophobicContact CE2-CG 3.76Å; F86-P164 HydrophobicContact CG-CG 3.48Å; F86-P164 VanDerWaalsContact CG-CG 3.48Å; F86-P164 HydrophobicContact CZ-CG 4.32Å
87	K	89.8	Confident	83.9	Confident	46 Å²	46	49.8 Å²	49.8	20%	0.2	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	120	166.9	-76.3	-178.9	178.4	-178.4	0	108.6	V48 E49 W51 H96	V48-K87 WeakPolarHBondContact CA-O 3.39Å; E49-K87 HydrophobicContact CB-CB 3.85Å; E49-K87 HydrophobicContact CB-CD 4.29Å; E49-K87 HydrophobicContact CG-CD 4.46Å; E49-K87 PolarHBondContact N-O 3.45Å; E49-K87 IonicContact OE1-NZ 3.47Å; W51-K87 HydrophobicContact CB-CD 4.41Å; W51-K87 HydrophobicContact CD2-CD 4.31Å; W51-K87 HydrophobicContact CD2-CG 3.99Å; W51-K87 HydrophobicContact CE3-CG 3.88Å; W51-K87 HydrophobicContact CG-CD 4.21Å; W51-K87 HydrophobicContact CG-CG 4.34Å; W51-K87 HydrophobicContact CZ3-CG 4.23Å; K87-H96 CarbonylContact C-O 3.56Å; K87-H96 WeakPolarHBondContact CA-O 3.35Å
88	C	87.5	Confident	84	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	127.2	179.8	-49	0	0	0	0	109.8	H96 I98 C165 Y176	C88-H96 PolarHBondContact N-O 2.85Å; C88-H96 PolarHBondContact O-N 2.8Å; C88-I98 VanDerWaalsContact SG-CD1 3.59Å; C88-C165 WeakPolarHBondContact CA-SG 3.48Å; C88-C165 HydrophobicContact CB-CB 3.61Å; C88-C165 WeakPolarHBondContact CB-SG 3.45Å; C88-C165 WeakPolarHBondContact SG-CA 3.2Å; C88-C165 WeakPolarHBondContact SG-CB 3.44Å; C88-C165 CovalentContact SG-SG 2.03Å; C88-C165 PolarHBondContact SG-SG 2.93Å; C88-Y176 HydrophobicContact CB-CE1 4.1Å; C88-Y176 HydrophobicContact CB-CE2 4.15Å; C88-Y176 WeakPolarHBondContact CB-OH 3.26Å
89	I	80.7	Confident	84.2	Confident	45 Å²	45	45.5 Å²	45.5	23%	0.231	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	126.9	176.2	-56.9	173.5	0	0	0	108.8	E49 Q95	E49-I89 HydrophobicContact CB-CD1 4.23Å; I89-Q95 HydrophobicContact CG1-CG 4.4Å
90	D	69.1	Low	84.3	Confident	7 Å²	7	42.9 Å²	42.9	4%	0.037	22%	0.217	C	C	.	.			trans	-91.3	176.7	174.6	71.1	24.4	0	0	0	113.3	N92 K93 E94 H96	D90-N92 PolarHBondContact O-N 2.83Å; D90-N92 VanDerWaalsContact OD1-CA 3.3Å; D90-N92 WeakPolarHBondContact OD1-CA 3.36Å; D90-N92 WeakPolarHBondContact OD1-CB 3.35Å; D90-N92 PolarHBondContact OD1-N 2.82Å; D90-K93 PolarHBondContact O-N 3.47Å; D90-K93 PolarHBondContact OD1-N 3.03Å; D90-E94 PolarHBondContact N-O 3.27Å; D90-E94 PolarHBondContact OD1-N 2.8Å; D90-E94 WeakPolarHBondContact OD2-CB 3.22Å; D90-H96 IonicContact OD2-CD2 3.5Å; D90-H96 IonicContact OD2-NE2 3.75Å; D90-H96 PolarHBondContact OD2-NE2 3.06Å
91	Q	64	Low	84.5	Confident	122 Å²	122	40.5 Å²	40.5	57%	0.57	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-23	179.7	-68.2	-174.4	-4.4	0	0	113.3
92	N	65.9	Low	84.6	Confident	115 Å²	115	39 Å²	39	62%	0.615	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-0.9	175.6	-63.6	-30.1	0	0	0	112.2	D90 E94	D90-N92 PolarHBondContact O-N 2.83Å; D90-N92 VanDerWaalsContact OD1-CA 3.3Å; D90-N92 WeakPolarHBondContact OD1-CA 3.36Å; D90-N92 WeakPolarHBondContact OD1-CB 3.35Å; D90-N92 PolarHBondContact OD1-N 2.82Å; N92-E94 HydrophobicContact CB-CG 4.45Å; N92-E94 PolarHBondContact O-N 3.44Å
93	K	66.6	Low	84.6	Confident	124 Å²	124	37.5 Å²	37.5	54%	0.539	18%	0.183	S	C	.	.			trans	64	22.6	-172.9	-52.3	-172.5	171.3	-153.9	0	113.6	D90 S658	D90-K93 PolarHBondContact O-N 3.47Å; D90-K93 PolarHBondContact OD1-N 3.03Å; K93-S658 PolarHBondContact NZ-OG 3.34Å
94	E	70.1	Confident	84.7	Confident	110 Å²	110	38.2 Å²	38.2	51%	0.514	19%	0.187	S	C	.	.			trans	-77	133.4	167.9	-62.1	-167.1	162	0	0	109.4	D90 N92	D90-E94 PolarHBondContact N-O 3.27Å; D90-E94 PolarHBondContact OD1-N 2.8Å; D90-E94 WeakPolarHBondContact OD2-CB 3.22Å; N92-E94 HydrophobicContact CB-CG 4.45Å; N92-E94 PolarHBondContact O-N 3.44Å
95	Q	81.1	Confident	84.6	Confident	100 Å²	100	40.6 Å²	40.6	47%	0.467	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	111.3	178	-77.5	177.2	-29.7	0	0	109.8	E49 I89 T131	E49-Q95 PolarHBondContact OE2-NE2 2.58Å; I89-Q95 HydrophobicContact CG1-CG 4.4Å; Q95-T131 WeakPolarHBondContact O-CG2 3.48Å
96	H	88.1	Confident	84.2	Confident	15 Å²	15	43.1 Å²	43.1	7%	0.069	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	147.1	170.5	-60.3	-95.9	0	0	0	109.4	K87 C88 D90 G130 Y176	K87-H96 CarbonylContact C-O 3.56Å; K87-H96 WeakPolarHBondContact CA-O 3.35Å; C88-H96 PolarHBondContact N-O 2.85Å; C88-H96 PolarHBondContact O-N 2.8Å; D90-H96 IonicContact OD2-CD2 3.5Å; D90-H96 IonicContact OD2-NE2 3.75Å; D90-H96 PolarHBondContact OD2-NE2 3.06Å; H96-G130 CarbonylContact C-O 3.6Å; H96-G130 WeakPolarHBondContact CA-O 3.46Å; H96-Y176 HydrophobicContact CB-CD2 4.28Å; H96-Y176 HydrophobicContact CB-CE2 3.79Å; H96-Y176 AromaticContact CG-CE2 3.88Å
97	A	92.7	Very high	83.2	Confident	3 Å²	3	43.3 Å²	43.3	3%	0.025	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	133	175	0	0	0	0	0	109.2	W51 F86 W128 I129 G130 L132	W51-A97 HydrophobicContact CH2-CB 4.1Å; W51-A97 HydrophobicContact CZ3-CB 4.43Å; F86-A97 CarbonylContact O-C 3.48Å; F86-A97 VanDerWaalsContact O-CA 3.27Å; F86-A97 WeakPolarHBondContact O-CA 2.92Å; A97-W128 HydrophobicContact CB-CZ3 3.95Å; A97-I129 WeakPolarHBondContact O-CA 3.38Å; A97-G130 PolarHBondContact N-O 2.81Å; A97-G130 PolarHBondContact O-N 2.57Å; A97-L132 HydrophobicContact CB-CD1 3.66Å; A97-L132 HydrophobicContact CB-CG 3.91Å
98	I	93.9	Very high	81.7	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	124	176.4	-56.4	179.8	0	0	0	107.2	G85 F86 C88 W128 I129 P164 W168 Y176	G85-I98 CarbonylContact C-O 3.56Å; G85-I98 WeakPolarHBondContact CA-O 3.31Å; F86-I98 PolarHBondContact N-O 3.37Å; F86-I98 PolarHBondContact O-N 3.06Å; C88-I98 VanDerWaalsContact SG-CD1 3.59Å; I98-W128 WeakPolarHBondContact CA-O 3.42Å; I98-I129 HydrophobicContact CG1-CG1 4.24Å; I98-I129 HydrophobicContact CG1-CG2 4.34Å; I98-I129 HydrophobicContact CG2-CG1 4.26Å; I98-P164 HydrophobicContact CB-CG 4.4Å; I98-P164 HydrophobicContact CD1-CB 3.98Å; I98-P164 HydrophobicContact CD1-CG 4.19Å; I98-P164 HydrophobicContact CG2-CB 4.32Å; I98-P164 HydrophobicContact CG2-CG 4.25Å; I98-W168 HydrophobicContact CG2-CE3 4.27Å; I98-W168 HydrophobicContact CG2-CZ3 3.89Å; I98-Y176 HydrophobicContact CD1-CD1 3.81Å; I98-Y176 HydrophobicContact CD1-CD2 4.46Å; I98-Y176 HydrophobicContact CD1-CE1 4.38Å; I98-Y176 HydrophobicContact CD1-CG 3.88Å
99	M	94.2	Very high	80	Confident	0 Å²	0	51 Å²	51	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	136.7	-179.5	-65.4	-172.1	-165.8	0	0	112.2	W51 A59 A60 V63 L101 T127 W128 L132	W51-M99 HydrophobicContact CH2-CE 3.29Å; W51-M99 HydrophobicContact CH2-CG 4.33Å; W51-M99 HydrophobicContact CZ2-CE 3.83Å; W51-M99 HydrophobicContact CZ3-CE 4.28Å; A59-M99 HydrophobicContact CB-CE 3.32Å; A60-M99 VanDerWaalsContact CA-SD 3.54Å; A60-M99 HydrophobicContact CB-SD 4.05Å; V63-M99 HydrophobicContact CB-SD 4.02Å; V63-M99 HydrophobicContact CG1-SD 4.45Å; V63-M99 HydrophobicContact CG2-CE 3.86Å; V63-M99 HydrophobicContact CG2-SD 3.64Å; M99-L101 HydrophobicContact CB-CD2 4.17Å; M99-T127 CarbonylContact O-C 3.49Å; M99-T127 VanDerWaalsContact O-CA 3.28Å; M99-T127 WeakPolarHBondContact O-CA 3.45Å; M99-W128 HydrophobicContact CG-CE3 4.44Å; M99-W128 PolarHBondContact N-O 2.91Å; M99-W128 PolarHBondContact O-N 3.45Å; M99-L132 HydrophobicContact CE-CD1 3.85Å; M99-L132 HydrophobicContact CE-CD2 4.38Å
100	H	93.7	Very high	78.6	Confident	3 Å²	3	56.4 Å²	56.4	1%	0.014	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	118.9	170.7	-59.7	-65.4	0	0	0	109.9	I82 I83 G84 C126 T127 W168	I82-H100 WeakPolarHBondContact CG1-O 3.21Å; I83-H100 HydrophobicContact CB-CB 3.94Å; I83-H100 HydrophobicContact CG2-CB 4.5Å; I83-H100 PolarHBondContact N-O 2.85Å; G84-H100 PolarHBondContact O-N 3.18Å; H100-C126 CarbonylContact C-O 3.55Å; H100-C126 WeakPolarHBondContact CA-O 3.43Å; H100-T127 WeakPolarHBondContact CE1-CG2 3.46Å; H100-T127 PolarHBondContact CE1-OG1 2.84Å; H100-T127 VanDerWaalsContact CE1-OG1 3.31Å; H100-T127 PolarHBondContact ND1-OG1 2.82Å; H100-W168 AromaticContact CE1-CH2 3.26Å; H100-W168 WeakPolarHBondContact CE1-CH2 3.45Å; H100-W168 AromaticContact CE1-CZ3 3.26Å; H100-W168 WeakPolarHBondContact CE1-CZ3 3.4Å; H100-W168 AromaticContact NE2-CH2 3.16Å; H100-W168 WeakPolarHBondContact NE2-CH2 3.29Å; H100-W168 AromaticContact NE2-CZ3 3.16Å; H100-W168 WeakPolarHBondContact NE2-CZ3 3.18Å
101	L	94.6	Very high	77.5	Confident	1 Å²	1	65.1 Å²	65.1	1%	0.005	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	137.7	-177.8	-47.7	-174.1	0	0	0	109.2	A60 V63 F64 L67 F79 I82 M99 L103 C126	A60-L101 HydrophobicContact CB-CD2 3.78Å; V63-L101 HydrophobicContact CB-CD1 4.33Å; V63-L101 HydrophobicContact CG1-CD1 3.87Å; F64-L101 HydrophobicContact CB-CD1 4.08Å; L67-L101 HydrophobicContact CD1-CD1 4.25Å; F79-L101 HydrophobicContact CE2-CB 4.17Å; F79-L101 HydrophobicContact CE2-CD1 4.25Å; F79-L101 HydrophobicContact CE2-CD2 4.03Å; F79-L101 HydrophobicContact CE2-CG 4.37Å; I82-L101 HydrophobicContact CB-CD2 4.34Å; I82-L101 HydrophobicContact CG1-CD2 4.08Å; M99-L101 HydrophobicContact CB-CD2 4.17Å; L101-L103 HydrophobicContact CB-CD2 4.18Å; L101-C126 HydrophobicContact CB-CB 4.33Å; L101-C126 PolarHBondContact N-O 3.02Å; L101-C126 PolarHBondContact O-N 3.01Å
102	K	92.7	Very high	76.5	Confident	31 Å²	31	68.3 Å²	68.3	14%	0.135	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	127.2	166.3	-174.9	177	-177.5	167	0	108.8	S80 N81 I83 N123 Y125 E156	S80-K102 WeakPolarHBondContact CA-O 3.49Å; S80-K102 WeakPolarHBondContact CB-O 3.37Å; S80-K102 PolarHBondContact N-O 3.05Å; N81-K102 PolarHBondContact N-O 3.29Å; N81-K102 PolarHBondContact O-N 2.87Å; N81-K102 WeakPolarHBondContact OD1-CB 3.36Å; N81-K102 WeakPolarHBondContact OD1-CD 3.5Å; I83-K102 HydrophobicContact CD1-CB 4.07Å; I83-K102 HydrophobicContact CG1-CB 4.11Å; K102-N123 WeakPolarHBondContact CE-OD1 3.43Å; K102-Y125 HydrophobicContact CD-CE1 4.44Å; K102-Y125 HydrophobicContact CG-CE1 4.33Å; K102-E156 WeakPolarHBondContact CD-OE1 3.26Å; K102-E156 VanDerWaalsContact CE-OE1 3.31Å; K102-E156 WeakPolarHBondContact CE-OE1 3.31Å; K102-E156 IonicContact NZ-OE1 3.81Å; K102-E156 PolarHBondContact NZ-OE1 3.35Å; K102-E156 IonicContact NZ-OE2 2.74Å
103	L	92.5	Very high	75.4	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	156	174.8	-35.9	177.3	0	0	0	109.5	F64 L71 N78 F79 L101 V124 C126	F64-L103 HydrophobicContact CD2-CD1 4.13Å; F64-L103 HydrophobicContact CD2-CD2 3.38Å; F64-L103 HydrophobicContact CD2-CG 4.39Å; F64-L103 HydrophobicContact CE2-CD1 4.02Å; F64-L103 HydrophobicContact CE2-CD2 3.66Å; F64-L103 HydrophobicContact CE2-CG 4.38Å; F64-L103 HydrophobicContact CG-CD2 4.39Å; L71-L103 HydrophobicContact CD1-CD1 4.09Å; N78-L103 CarbonylContact O-C 3.44Å; N78-L103 VanDerWaalsContact O-CA 3.26Å; N78-L103 WeakPolarHBondContact O-CA 3.45Å; N78-L103 WeakPolarHBondContact O-CB 3.31Å; F79-L103 HydrophobicContact CD2-CD2 3.91Å; L101-L103 HydrophobicContact CB-CD2 4.18Å; L103-V124 HydrophobicContact CB-CB 4.06Å; L103-V124 HydrophobicContact CB-CG1 4.48Å; L103-V124 HydrophobicContact CD1-CG1 4.25Å; L103-V124 PolarHBondContact N-O 3.1Å; L103-V124 PolarHBondContact O-N 2.84Å; L103-C126 WeakPolarHBondContact CD1-SG 3.42Å
104	L	89.6	Confident	74.8	Confident	35 Å²	35	69 Å²	69	18%	0.183	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	127.5	171	-67.7	168.4	0	0	0	108.9	F77 N78 E121 N123	F77-L104 WeakPolarHBondContact CA-O 3.49Å; N78-L104 PolarHBondContact N-O 3.39Å; N78-L104 PolarHBondContact O-N 2.84Å; L104-E121 HydrophobicContact CD2-CB 4.41Å; L104-N123 WeakPolarHBondContact CD2-OD1 3.46Å
105	R	88.3	Confident	73.7	Confident	58 Å²	58	72.5 Å²	72.5	22%	0.219	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	121.5	172.2	-172	-177.3	-170.7	-164.5	4.9	110.2	K76 F77 Q122 V124 E147	K76-R105 HydrophobicContact CB-CG 4.35Å; K76-R105 WeakPolarHBondContact O-CA 3.24Å; F77-R105 HydrophobicContact CD1-CB 3.92Å; F77-R105 HydrophobicContact CD1-CG 4.05Å; F77-R105 HydrophobicContact CE1-CB 3.81Å; F77-R105 HydrophobicContact CE1-CG 3.66Å; F77-R105 HydrophobicContact CE2-CG 4.49Å; F77-R105 HydrophobicContact CZ-CG 3.91Å; R105-Q122 PolarHBondContact N-O 3.41Å; R105-Q122 PolarHBondContact O-N 2.88Å; R105-Q122 VanDerWaalsContact O-N 3.17Å; R105-V124 HydrophobicContact CB-CG2 3.93Å; R105-E147 WeakPolarHBondContact CD-OE1 3.19Å; R105-E147 IonicContact CZ-OE1 3.91Å; R105-E147 IonicContact NE-OE1 2.92Å; R105-E147 PolarHBondContact NE-OE1 2.79Å; R105-E147 IonicContact NH1-OE1 2.69Å; R105-E147 PolarHBondContact NH1-OE1 3.24Å; R105-E147 IonicContact NH1-OE2 3.74Å; R105-E147 PolarHBondContact NH1-OE2 2.95Å
106	H	82	Confident	72	Confident	66 Å²	66	74.9 Å²	74.9	31%	0.306	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-80.2	133.5	174.8	-53.2	115.5	0	0	0	111.7	K76 N78 E121	K76-H106 PolarHBondContact O-N 3.5Å; K76-H106 PolarHBondContact O-ND1 3.1Å; N78-H106 PolarHBondContact ND2-CE1 3.04Å; N78-H106 VanDerWaalsContact ND2-CE1 3.31Å; H106-E121 IonicContact CD2-OE1 2.84Å; H106-E121 IonicContact NE2-OE1 3.76Å
107	G	69.8	Low	69.8	Low	29 Å²	29	83.2 Å²	83.2	30%	0.299	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-66.9	155.7	169	0	0	0	0	0	112.2	C109	G107-C109 PolarHBondContact O-N 3.49Å
108	K	58.1	Low	67.7	Low	140 Å²	140	85.9 Å²	85.9	61%	0.609	42%	0.423	S	S	*	.			trans	-69.9	113.2	166.7	-77.4	-175.3	175.1	-178.7	0	107.8	H110	K108-H110 PolarHBondContact O-N 3.48Å
109	C	52.3	Low	65.9	Low	68 Å²	68	89.3 Å²	89.3	46%	0.459	45%	0.445	S	S	.	.			trans	-69.1	110.7	165	-58.7	0	0	0	0	107.4	G107 K111 C118	G107-C109 PolarHBondContact O-N 3.49Å; C109-K111 PolarHBondContact O-N 2.87Å; C109-K111 VanDerWaalsContact O-N 3.09Å; C109-C118 HydrophobicContact CB-CB 4.31Å; C109-C118 WeakPolarHBondContact CB-SG 3.17Å; C109-C118 WeakPolarHBondContact SG-CB 3.41Å; C109-C118 CovalentContact SG-SG 2.05Å; C109-C118 PolarHBondContact SG-SG 3.13Å
110	H	51.3	Low	64.4	Low	158 Å²	158	94.3 Å²	94.3	73%	0.731	48%	0.48	S	S	*	.			trans	-64.7	113.2	170.5	-87.2	-75.5	0	0	0	107.9	K108 F112	K108-H110 PolarHBondContact O-N 3.48Å; H110-F112 PolarHBondContact O-N 3.12Å
111	K	45.3	Very low	63.3	Low	190 Å²	190	99.4 Å²	99.4	83%	0.826	50%	0.504	S	S	*	.			trans	-71	68.4	171.4	-81	-172.9	174.1	-177.8	0	109.8	C109	C109-K111 PolarHBondContact O-N 2.87Å; C109-K111 VanDerWaalsContact O-N 3.09Å
112	F	44.6	Very low	62.6	Low	189 Å²	189	104 Å²	104	83%	0.829	53%	0.525	S	S	*	.			trans	-143.6	118.4	164.9	-87.7	-78.5	0	0	0	110.4	H110	H110-F112 PolarHBondContact O-N 3.12Å
113	S	42.3	Very low	62.4	Low	98 Å²	98	104.8 Å²	104.8	69%	0.685	53%	0.531	S	S	*	.	S	Bend	trans	65.7	105.5	166.2	-114.9	0	0	0	0	118.9	F115	S113-F115 PolarHBondContact O-N 2.03Å
114	I	54	Low	62.3	Low	154 Å²	154	104.8 Å²	104.8	79%	0.79	53%	0.531	S	S	*	.	S	Bend	trans	34.8	-14.1	150	-4.9	177.5	0	0	0	122.3
115	F	46	Very low	62.5	Low	184 Å²	184	103.5 Å²	103.5	81%	0.807	52%	0.524	S	S	*	.			trans	-122.9	91	173.4	-67.5	-81.1	0	0	0	108.6	S113 Q117	S113-F115 PolarHBondContact O-N 2.03Å; F115-Q117 VanDerWaalsContact C-N 3.31Å; F115-Q117 PolarHBondContact O-N 3.13Å
116	H	45.4	Very low	62.8	Low	151 Å²	151	100.9 Å²	100.9	70%	0.699	51%	0.514	S	S	*	.			trans	-69.4	83.8	175	-72.5	-31.5	0	0	0	111.1	C118	H116-C118 PolarHBondContact O-N 3.23Å
117	Q	41.9	Very low	63.4	Low	190 Å²	190	98 Å²	98	89%	0.888	50%	0.501	S	S	*	.			trans	-88.5	88.8	154.3	-78.7	-178.1	-10.5	0	0	107.9	F115	F115-Q117 VanDerWaalsContact C-N 3.31Å; F115-Q117 PolarHBondContact O-N 3.13Å
118	C	50.2	Low	64.7	Low	59 Å²	59	96.6 Å²	96.6	40%	0.399	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-68.7	140.2	165.3	-64.8	0	0	0	0	108.3	C109 H116 S120	C109-C118 HydrophobicContact CB-CB 4.31Å; C109-C118 WeakPolarHBondContact CB-SG 3.17Å; C109-C118 WeakPolarHBondContact SG-CB 3.41Å; C109-C118 CovalentContact SG-SG 2.05Å; C109-C118 PolarHBondContact SG-SG 3.13Å; H116-C118 PolarHBondContact O-N 3.23Å; C118-S120 PolarHBondContact O-N 3.06Å
119	P	54.5	Low	66.4	Low	72 Å²	72	90 Å²	90	47%	0.468	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-54.8	134.3	173.5	-18.9	28.7	0	0	0	109.6	E121	P119-E121 PolarHBondContact O-N 3.17Å
120	S	62.4	Low	68.4	Low	104 Å²	104	86.8 Å²	86.8	73%	0.727	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-52.9	137.2	177.9	43.4	0	0	0	0	110.8	C118 Q122	C118-S120 PolarHBondContact O-N 3.06Å; S120-Q122 PolarHBondContact O-N 2.77Å
121	E	70.6	Confident	70.4	Confident	110 Å²	110	80.2 Å²	80.2	51%	0.514	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-51.3	136	176.5	-66.7	-179.8	172.6	0	0	110.6	L104 H106 P119	L104-E121 HydrophobicContact CD2-CB 4.41Å; H106-E121 IonicContact CD2-OE1 2.84Å; H106-E121 IonicContact NE2-OE1 3.76Å; P119-E121 PolarHBondContact O-N 3.17Å
122	Q	81.8	Confident	72.5	Confident	97 Å²	97	73.1 Å²	73.1	45%	0.453	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	131.6	178.8	-69.1	-176.4	-14.3	0	0	110	R105 S120 E147	R105-Q122 PolarHBondContact N-O 3.41Å; R105-Q122 PolarHBondContact O-N 2.88Å; R105-Q122 VanDerWaalsContact O-N 3.17Å; S120-Q122 PolarHBondContact O-N 2.77Å; Q122-E147 PolarHBondContact OE1-OE2 3.37Å
123	N	88.1	Confident	74.7	Confident	49 Å²	49	72.2 Å²	72.2	26%	0.262	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	130.6	173.1	-65.8	-45.2	0	0	0	109.7	K102 L104 Y125 S148	K102-N123 WeakPolarHBondContact CE-OD1 3.43Å; L104-N123 WeakPolarHBondContact CD2-OD1 3.46Å; N123-Y125 HydrophobicContact CB-CE2 3.76Å; N123-S148 PolarHBondContact O-N 3.45Å
124	V	90.7	Very high	76.8	Confident	0 Å²	0	75.2 Å²	75.2	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	125.1	174.9	175.5	0	0	0	0	107.7	F77 L103 R105 C145 F146 E147 L192	F77-V124 HydrophobicContact CD1-CG2 4.21Å; F77-V124 HydrophobicContact CE1-CG2 3.91Å; L103-V124 HydrophobicContact CB-CB 4.06Å; L103-V124 HydrophobicContact CB-CG1 4.48Å; L103-V124 HydrophobicContact CD1-CG1 4.25Å; L103-V124 PolarHBondContact N-O 3.1Å; L103-V124 PolarHBondContact O-N 2.84Å; R105-V124 HydrophobicContact CB-CG2 3.93Å; V124-C145 HydrophobicContact CG1-CB 4.36Å; V124-F146 WeakPolarHBondContact CA-O 3.19Å; V124-E147 HydrophobicContact CG2-CG 3.74Å; V124-L192 HydrophobicContact CG1-CD1 3.75Å; V124-L192 HydrophobicContact CG2-CD1 4.01Å
125	Y	91.9	Very high	78.5	Confident	8 Å²	8	68.8 Å²	68.8	3%	0.031	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	121.9	179.2	-61.5	-83.9	0	0	0	108.8	I83 K102 N123 C145 F146 V151 E156	I83-Y125 HydrophobicContact CD1-CD1 3.67Å; I83-Y125 HydrophobicContact CD1-CE1 3.96Å; K102-Y125 HydrophobicContact CD-CE1 4.44Å; K102-Y125 HydrophobicContact CG-CE1 4.33Å; N123-Y125 HydrophobicContact CB-CE2 3.76Å; Y125-C145 VanDerWaalsContact O-CA 3.29Å; Y125-C145 WeakPolarHBondContact O-CA 3.38Å; Y125-F146 HydrophobicContact CD2-CE2 4.2Å; Y125-F146 PolarHBondContact N-O 2.85Å; Y125-F146 PolarHBondContact O-N 2.81Å; Y125-V151 HydrophobicContact CD2-CB 4.28Å; Y125-V151 HydrophobicContact CD2-CG1 4.47Å; Y125-V151 HydrophobicContact CD2-CG2 3.92Å; Y125-V151 HydrophobicContact CE1-CB 4.44Å; Y125-V151 HydrophobicContact CE1-CG1 3.78Å; Y125-V151 HydrophobicContact CE2-CB 3.45Å; Y125-V151 VanDerWaalsContact CE2-CB 3.45Å; Y125-V151 HydrophobicContact CE2-CG1 3.72Å; Y125-V151 HydrophobicContact CE2-CG2 3.57Å; Y125-V151 WeakPolarHBondContact OH-CB 3.42Å; Y125-V151 VanDerWaalsContact OH-CG1 3.27Å; Y125-V151 WeakPolarHBondContact OH-CG1 3.31Å; Y125-E156 HydrophobicContact CE1-CG 4.02Å; Y125-E156 WeakPolarHBondContact CE1-OE1 3.5Å; Y125-E156 PolarHBondContact OH-OE1 3.04Å; Y125-E156 VanDerWaalsContact OH-OE1 3.1Å
126	C	94.9	Very high	80.6	Confident	2 Å²	2	64.7 Å²	64.7	1%	0.014	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	135.5	-179.9	-70.4	0	0	0	0	110.8	L67 H100 L101 L103 S144 C145	L67-C126 HydrophobicContact CD1-CB 3.9Å; H100-C126 CarbonylContact C-O 3.55Å; H100-C126 WeakPolarHBondContact CA-O 3.43Å; L101-C126 HydrophobicContact CB-CB 4.33Å; L101-C126 PolarHBondContact N-O 3.02Å; L101-C126 PolarHBondContact O-N 3.01Å; L103-C126 WeakPolarHBondContact CD1-SG 3.42Å; C126-S144 CarbonylContact C-O 3.32Å; C126-S144 WeakPolarHBondContact CA-O 2.99Å; C126-C145 HydrophobicContact CB-CB 4.21Å; C126-C145 WeakPolarHBondContact CB-SG 3.31Å; C126-C145 WeakPolarHBondContact SG-CB 3.41Å; C126-C145 CovalentContact SG-SG 2.04Å; C126-C145 PolarHBondContact SG-SG 2.82Å
127	T	95.3	Very high	82.9	Confident	6 Å²	6	58.7 Å²	58.7	4%	0.037	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	137.9	169	-56.5	0	0	0	0	109.6	M99 H100 I129 Y143 S144 L178 P179	M99-T127 CarbonylContact O-C 3.49Å; M99-T127 VanDerWaalsContact O-CA 3.28Å; M99-T127 WeakPolarHBondContact O-CA 3.45Å; H100-T127 WeakPolarHBondContact CE1-CG2 3.46Å; H100-T127 PolarHBondContact CE1-OG1 2.84Å; H100-T127 VanDerWaalsContact CE1-OG1 3.31Å; H100-T127 PolarHBondContact ND1-OG1 2.82Å; T127-I129 HydrophobicContact CG2-CG1 4.43Å; T127-Y143 CarbonylContact O-C 3.52Å; T127-Y143 WeakPolarHBondContact O-CA 3.3Å; T127-Y143 WeakPolarHBondContact O-CB 3.44Å; T127-S144 PolarHBondContact N-O 3.34Å; T127-S144 PolarHBondContact O-N 2.94Å; T127-L178 HydrophobicContact CG2-CD2 3.82Å; T127-P179 HydrophobicContact CG2-CG 4.21Å
128	W	96.6	Very high	85.3	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	137.9	173.3	176.7	88.7	0	0	0	110.3	V63 L67 A97 I98 M99 L132 P137 T140	V63-W128 HydrophobicContact CG1-CB 3.47Å; V63-W128 VanDerWaalsContact CG1-CB 3.47Å; V63-W128 HydrophobicContact CG1-CD2 3.84Å; V63-W128 HydrophobicContact CG1-CE3 4.25Å; V63-W128 HydrophobicContact CG1-CG 3.5Å; V63-W128 VanDerWaalsContact CG1-CG 3.5Å; V63-W128 HydrophobicContact CG2-CD2 3.8Å; V63-W128 HydrophobicContact CG2-CE3 3.68Å; V63-W128 HydrophobicContact CG2-CG 4.36Å; V63-W128 HydrophobicContact CG2-CH2 4.36Å; V63-W128 HydrophobicContact CG2-CZ2 4.48Å; V63-W128 HydrophobicContact CG2-CZ3 3.96Å; L67-W128 HydrophobicContact CD1-CB 4.47Å; A97-W128 HydrophobicContact CB-CZ3 3.95Å; I98-W128 WeakPolarHBondContact CA-O 3.42Å; M99-W128 HydrophobicContact CG-CE3 4.44Å; M99-W128 PolarHBondContact N-O 2.91Å; M99-W128 PolarHBondContact O-N 3.45Å; W128-L132 HydrophobicContact CH2-CD2 3.79Å; W128-L132 HydrophobicContact CH2-CG 4.18Å; W128-L132 HydrophobicContact CZ3-CD2 4.06Å; W128-L132 HydrophobicContact CZ3-CG 4.31Å; W128-P137 HydrophobicContact CH2-CB 4.42Å; W128-P137 HydrophobicContact CZ2-CB 3.88Å; W128-P137 HydrophobicContact CZ2-CG 4.43Å; W128-T140 PolarHBondContact NE1-OG1 3.04Å
129	I	95	Very high	87.2	Confident	1 Å²	1	58.5 Å²	58.5	1%	0.005	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	129.5	177.1	-56.9	177.8	0	0	0	107.7	A97 I98 T127 S141 G142 Y176 R177 L178	A97-I129 WeakPolarHBondContact O-CA 3.38Å; I98-I129 HydrophobicContact CG1-CG1 4.24Å; I98-I129 HydrophobicContact CG1-CG2 4.34Å; I98-I129 HydrophobicContact CG2-CG1 4.26Å; T127-I129 HydrophobicContact CG2-CG1 4.43Å; I129-S141 WeakPolarHBondContact O-CA 3.44Å; I129-S141 WeakPolarHBondContact O-CB 3.16Å; I129-S141 PolarHBondContact O-N 2.79Å; I129-G142 PolarHBondContact N-O 3.34Å; I129-G142 PolarHBondContact O-N 2.77Å; I129-Y176 HydrophobicContact CG2-CD2 4.48Å; I129-R177 WeakPolarHBondContact CD1-O 3.33Å; I129-L178 HydrophobicContact CD1-CD2 3.65Å; I129-L178 HydrophobicContact CD1-CG 4.21Å; I129-L178 HydrophobicContact CG1-CD2 3.88Å
130	G	93.6	Very high	89.1	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179.4	-163.5	178.1	0	0	0	0	0	113.1	H96 A97 K139	H96-G130 CarbonylContact C-O 3.6Å; H96-G130 WeakPolarHBondContact CA-O 3.46Å; A97-G130 PolarHBondContact N-O 2.81Å; A97-G130 PolarHBondContact O-N 2.57Å; G130-K139 CarbonylContact C-O 3.5Å; G130-K139 WeakPolarHBondContact CA-O 3.44Å
131	T	92.4	Very high	90.5	Very high	21 Å²	21	54 Å²	54	13%	0.129	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	148.3	173.5	63.9	0	0	0	0	109.8	Q95 N138 K139	Q95-T131 WeakPolarHBondContact O-CG2 3.48Å; T131-N138 PolarHBondContact O-N 3.36Å; T131-K139 PolarHBondContact N-O 3.47Å; T131-K139 PolarHBondContact O-N 3.01Å; T131-K139 WeakPolarHBondContact OG1-CB 3.39Å; T131-K139 PolarHBondContact OG1-N 3.42Å
132	L	91.1	Very high	91.6	Very high	40 Å²	40	48.8 Å²	48.8	21%	0.209	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	142.9	176.6	-65	170.8	0	0	0	109.8	W51 A59 A97 M99 W128 I136 P137	W51-L132 HydrophobicContact CH2-CD1 3.54Å; W51-L132 HydrophobicContact CZ2-CD1 3.44Å; W51-L132 VanDerWaalsContact CZ2-CD1 3.44Å; A59-L132 HydrophobicContact CB-CD1 3.95Å; A59-L132 HydrophobicContact CB-CD2 4.45Å; A97-L132 HydrophobicContact CB-CD1 3.66Å; A97-L132 HydrophobicContact CB-CG 3.91Å; M99-L132 HydrophobicContact CE-CD1 3.85Å; M99-L132 HydrophobicContact CE-CD2 4.38Å; W128-L132 HydrophobicContact CH2-CD2 3.79Å; W128-L132 HydrophobicContact CH2-CG 4.18Å; W128-L132 HydrophobicContact CZ3-CD2 4.06Å; W128-L132 HydrophobicContact CZ3-CG 4.31Å; L132-I136 CarbonylContact C-O 3.58Å; L132-I136 WeakPolarHBondContact CA-O 3.33Å; L132-P137 HydrophobicContact CD2-CG 4.35Å
133	R	89.6	Confident	92.3	Very high	170 Å²	170	45.5 Å²	45.5	64%	0.642	22%	0.224	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-119.5	116.1	162.9	-177	178.2	179.5	177.5	0.7	106.8	S135 I136 N138	R133-S135 VanDerWaalsContact C-N 3.33Å; R133-S135 PolarHBondContact O-N 3.47Å; R133-I136 PolarHBondContact N-O 2.9Å; R133-I136 WeakPolarHBondContact O-CB 3.39Å; R133-I136 PolarHBondContact O-N 3.01Å; R133-N138 HydrophobicContact CB-CB 3.91Å
134	E	86.9	Confident	92.7	Very high	161 Å²	161	43.1 Å²	43.1	75%	0.752	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.9	47.9	179	-61.9	168.2	-154.9	0	0	112.9	I136	E134-I136 PolarHBondContact O-N 3.49Å; E134-I136 VanDerWaalsContact O-N 3.11Å
135	S	89.9	Confident	92.9	Very high	20 Å²	20	43.1 Å²	43.1	14%	0.14	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	11.5	-177.3	-58.6	0	0	0	0	115.4	A59 N62 R133	A59-S135 WeakPolarHBondContact CA-O 3.35Å; N62-S135 PolarHBondContact ND2-O 2.73Å; R133-S135 VanDerWaalsContact C-N 3.33Å; R133-S135 PolarHBondContact O-N 3.47Å
136	I	91	Very high	92.8	Very high	98 Å²	98	43 Å²	43	50%	0.503	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	132.9	173.6	-59	166	0	0	0	108.9	L132 R133 E134 N138	L132-I136 CarbonylContact C-O 3.58Å; L132-I136 WeakPolarHBondContact CA-O 3.33Å; R133-I136 PolarHBondContact N-O 2.9Å; R133-I136 WeakPolarHBondContact O-CB 3.39Å; R133-I136 PolarHBondContact O-N 3.01Å; E134-I136 PolarHBondContact O-N 3.49Å; E134-I136 VanDerWaalsContact O-N 3.11Å; I136-N138 PolarHBondContact O-N 3.41Å
137	P	93.2	Very high	92.4	Very high	25 Å²	25	45.6 Å²	45.6	16%	0.162	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.3	112.7	171	-27.9	36.9	0	0	0	111.7	N62 V63 L66 W128 L132	N62-P137 HydrophobicContact CB-CG 4.44Å; V63-P137 HydrophobicContact CB-CG 4.49Å; V63-P137 HydrophobicContact CG2-CG 3.67Å; L66-P137 HydrophobicContact CD1-CB 3.56Å; L66-P137 HydrophobicContact CD1-CG 4.04Å; W128-P137 HydrophobicContact CH2-CB 4.42Å; W128-P137 HydrophobicContact CZ2-CB 3.88Å; W128-P137 HydrophobicContact CZ2-CG 4.43Å; L132-P137 HydrophobicContact CD2-CG 4.35Å
138	N	92.2	Very high	91.5	Very high	106 Å²	106	46.5 Å²	46.5	57%	0.567	23%	0.229	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-94	-52.8	-178.1	177.3	55.9	0	0	0	111.2	T131 R133 I136	T131-N138 PolarHBondContact O-N 3.36Å; R133-N138 HydrophobicContact CB-CB 3.91Å; I136-N138 PolarHBondContact O-N 3.41Å
139	K	90.6	Very high	90.1	Very high	138 Å²	138	52.3 Å²	52.3	60%	0.6	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132	127.2	173	-175.7	-176.7	176.6	-174.4	0	108.7	G130 T131	G130-K139 CarbonylContact C-O 3.5Å; G130-K139 WeakPolarHBondContact CA-O 3.44Å; T131-K139 PolarHBondContact N-O 3.47Å; T131-K139 PolarHBondContact O-N 3.01Å; T131-K139 WeakPolarHBondContact OG1-CB 3.39Å; T131-K139 PolarHBondContact OG1-N 3.42Å
140	T	93.2	Very high	88.3	Confident	48 Å²	48	59.3 Å²	59.3	29%	0.294	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	121.8	173.5	-65.1	0	0	0	0	109.1	W128 Y143	W128-T140 PolarHBondContact NE1-OG1 3.04Å; T140-Y143 HydrophobicContact CG2-CD1 3.56Å; T140-Y143 HydrophobicContact CG2-CE1 4.02Å
141	S	91.5	Very high	86.8	Confident	35 Å²	35	60.4 Å²	60.4	25%	0.245	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	-38.2	174.8	-58.9	0	0	0	0	110.8	I129 P197	I129-S141 WeakPolarHBondContact O-CA 3.44Å; I129-S141 WeakPolarHBondContact O-CB 3.16Å; I129-S141 PolarHBondContact O-N 2.79Å; S141-P197 VanDerWaalsContact O-CA 3.27Å; S141-P197 WeakPolarHBondContact O-CA 3.23Å
142	G	94.6	Very high	85.3	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.6	166.5	174.8	0	0	0	0	0	113.9	I129 H195	I129-G142 PolarHBondContact N-O 3.34Å; I129-G142 PolarHBondContact O-N 2.77Å; G142-H195 CarbonylContact C-O 3.54Å; G142-H195 WeakPolarHBondContact CA-O 3.36Å
143	Y	96.9	Very high	84.3	Confident	27 Å²	27	68.1 Å²	68.1	11%	0.106	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	151.5	176.8	52.3	-90.9	0	0	0	112.9	L67 K70 T127 T140 L178 L193 H195	L67-Y143 HydrophobicContact CD2-CD2 4.08Å; L67-Y143 HydrophobicContact CD2-CG 3.84Å; K70-Y143 HydrophobicContact CD-CE1 3.97Å; K70-Y143 HydrophobicContact CD-CE2 3.92Å; K70-Y143 PolarHBondContact NZ-OH 3.1Å; K70-Y143 VanDerWaalsContact NZ-OH 3.15Å; T127-Y143 CarbonylContact O-C 3.52Å; T127-Y143 WeakPolarHBondContact O-CA 3.3Å; T127-Y143 WeakPolarHBondContact O-CB 3.44Å; T140-Y143 HydrophobicContact CG2-CD1 3.56Å; T140-Y143 HydrophobicContact CG2-CE1 4.02Å; Y143-L178 VanDerWaalsContact C-CD1 3.49Å; Y143-L178 WeakPolarHBondContact O-CD1 3.33Å; Y143-L193 HydrophobicContact CD2-CB 3.84Å; Y143-L193 HydrophobicContact CD2-CD1 4.04Å; Y143-L193 HydrophobicContact CD2-CG 4.46Å; Y143-L193 HydrophobicContact CE2-CB 3.99Å; Y143-L193 HydrophobicContact CE2-CD1 4.14Å; Y143-L193 HydrophobicContact CE2-CD2 4.29Å; Y143-L193 HydrophobicContact CE2-CG 4.38Å; Y143-H195 HydrophobicContact CD1-CB 4.15Å; Y143-H195 HydrophobicContact CD2-CB 4.01Å; Y143-H195 HydrophobicContact CE1-CB 3.77Å; Y143-H195 HydrophobicContact CE2-CB 3.59Å; Y143-H195 HydrophobicContact CG-CB 4.28Å; Y143-H195 VanDerWaalsContact CZ-CB 3.47Å; Y143-H195 AromaticContact CZ-CG 3.94Å; Y143-H195 PolarHBondContact N-O 2.62Å; Y143-H195 CarbonylContact O-C 3.57Å; Y143-H195 PolarHBondContact O-N 2.76Å
144	S	95.5	Very high	83.1	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	148.9	168.9	56.1	0	0	0	0	110.6	C126 T127 L193	C126-S144 CarbonylContact C-O 3.32Å; C126-S144 WeakPolarHBondContact CA-O 2.99Å; T127-S144 PolarHBondContact N-O 3.34Å; T127-S144 PolarHBondContact O-N 2.94Å; S144-L193 CarbonylContact C-O 3.56Å; S144-L193 WeakPolarHBondContact CA-O 3.44Å
145	C	94.4	Very high	82.2	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	130.3	169.5	-69.4	0	0	0	0	109.2	L71 V124 Y125 C126 L192 L193	L71-C145 HydrophobicContact CD2-CB 4.43Å; V124-C145 HydrophobicContact CG1-CB 4.36Å; Y125-C145 VanDerWaalsContact O-CA 3.29Å; Y125-C145 WeakPolarHBondContact O-CA 3.38Å; C126-C145 HydrophobicContact CB-CB 4.21Å; C126-C145 WeakPolarHBondContact CB-SG 3.31Å; C126-C145 WeakPolarHBondContact SG-CB 3.41Å; C126-C145 CovalentContact SG-SG 2.04Å; C126-C145 PolarHBondContact SG-SG 2.82Å; C145-L192 HydrophobicContact CB-CB 4.11Å; C145-L192 WeakPolarHBondContact O-CB 3.46Å; C145-L192 PolarHBondContact O-N 3.19Å; C145-L193 HydrophobicContact CB-CB 3.95Å; C145-L193 HydrophobicContact CB-CD1 4.39Å; C145-L193 HydrophobicContact CB-CG 4.25Å; C145-L193 PolarHBondContact N-O 3.46Å; C145-L193 PolarHBondContact O-N 2.76Å; C145-L193 VanDerWaalsContact O-N 3.09Å
146	F	90.6	Very high	81.8	Confident	4 Å²	4	60.9 Å²	60.9	2%	0.018	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	154.9	175.5	62.7	-89.8	0	0	0	111.9	V124 Y125 L181 M184 F191	V124-F146 WeakPolarHBondContact CA-O 3.19Å; Y125-F146 HydrophobicContact CD2-CE2 4.2Å; Y125-F146 PolarHBondContact N-O 2.85Å; Y125-F146 PolarHBondContact O-N 2.81Å; F146-L181 HydrophobicContact CE2-CD1 3.45Å; F146-L181 VanDerWaalsContact CE2-CD1 3.45Å; F146-L181 HydrophobicContact CE2-CG 4.36Å; F146-L181 HydrophobicContact CZ-CD1 3.49Å; F146-L181 VanDerWaalsContact CZ-CD1 3.49Å; F146-L181 HydrophobicContact CZ-CG 3.96Å; F146-M184 HydrophobicContact CB-CE 3.43Å; F146-M184 VanDerWaalsContact CB-CE 3.43Å; F146-M184 HydrophobicContact CD2-CE 4.26Å; F146-M184 HydrophobicContact CD2-CG 4.07Å; F146-M184 HydrophobicContact CD2-SD 4.34Å; F146-M184 HydrophobicContact CE2-CG 4.37Å; F146-M184 HydrophobicContact CG-CE 3.92Å; F146-M184 HydrophobicContact CG-CG 4.32Å; F146-F191 HydrophobicContact CB-CD1 3.93Å; F146-F191 HydrophobicContact CB-CE1 4.08Å; F146-F191 HydrophobicContact CB-CG 4.48Å; F146-F191 HydrophobicContact CD1-CD1 4.29Å; F146-F191 AromaticContact CD1-CE1 3.75Å; F146-F191 HydrophobicContact CD1-CE1 3.75Å; F146-F191 HydrophobicContact CD1-CZ 4.49Å; F146-F191 HydrophobicContact CG-CE1 4.26Å
147	E	86.6	Confident	81	Confident	58 Å²	58	62 Å²	62	27%	0.271	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	136.8	173.3	-76.8	168.4	177.8	0	0	109.8	R105 Q122 V124 L192	R105-E147 WeakPolarHBondContact CD-OE1 3.19Å; R105-E147 IonicContact CZ-OE1 3.91Å; R105-E147 IonicContact NE-OE1 2.92Å; R105-E147 PolarHBondContact NE-OE1 2.79Å; R105-E147 IonicContact NH1-OE1 2.69Å; R105-E147 PolarHBondContact NH1-OE1 3.24Å; R105-E147 IonicContact NH1-OE2 3.74Å; R105-E147 PolarHBondContact NH1-OE2 2.95Å; Q122-E147 PolarHBondContact OE1-OE2 3.37Å; V124-E147 HydrophobicContact CG2-CG 3.74Å; E147-L192 HydrophobicContact CG-CD1 3.94Å; E147-L192 HydrophobicContact CG-CG 4.38Å
148	S	76.3	Confident	79.8	Confident	24 Å²	24	66.5 Å²	66.5	17%	0.168	34%	0.338	C	S	.	.			trans	-148.8	128.8	168	-177.7	0	0	0	0	110.9	N123 E150 V151	N123-S148 PolarHBondContact O-N 3.45Å; S148-E150 VanDerWaalsContact C-N 3.32Å; S148-E150 PolarHBondContact OG-N 3.37Å; S148-V151 PolarHBondContact OG-N 3.31Å
149	S	66.5	Low	79.1	Confident	123 Å²	123	62 Å²	62	86%	0.86	31%	0.314	S	S	*	.	S	Bend	trans	-83.1	-11.8	167	51	0	0	0	0	112.8
150	E	57.8	Low	78.6	Confident	148 Å²	148	57.2 Å²	57.2	69%	0.692	30%	0.3	S	S	*	.			trans	-100	-9.3	-170.1	-65	179.4	171.7	0	0	113.3	S148 S152	S148-E150 VanDerWaalsContact C-N 3.32Å; S148-E150 PolarHBondContact OG-N 3.37Å; E150-S152 PolarHBondContact O-N 3.05Å; E150-S152 VanDerWaalsContact O-N 3.1Å
151	V	62.2	Low	77.6	Confident	23 Å²	23	61.6 Å²	61.6	14%	0.139	32%	0.322	C	S	.	.			trans	-67.5	113.2	179.5	172.6	0	0	0	0	109.7	Y125 S148 Y155 E156 L181	Y125-V151 HydrophobicContact CD2-CB 4.28Å; Y125-V151 HydrophobicContact CD2-CG1 4.47Å; Y125-V151 HydrophobicContact CD2-CG2 3.92Å; Y125-V151 HydrophobicContact CE1-CB 4.44Å; Y125-V151 HydrophobicContact CE1-CG1 3.78Å; Y125-V151 HydrophobicContact CE2-CB 3.45Å; Y125-V151 VanDerWaalsContact CE2-CB 3.45Å; Y125-V151 HydrophobicContact CE2-CG1 3.72Å; Y125-V151 HydrophobicContact CE2-CG2 3.57Å; Y125-V151 WeakPolarHBondContact OH-CB 3.42Å; Y125-V151 VanDerWaalsContact OH-CG1 3.27Å; Y125-V151 WeakPolarHBondContact OH-CG1 3.31Å; S148-V151 PolarHBondContact OG-N 3.31Å; V151-Y155 HydrophobicContact CG1-CD1 3.43Å; V151-Y155 VanDerWaalsContact CG1-CD1 3.43Å; V151-Y155 HydrophobicContact CG1-CE1 4.3Å; V151-Y155 HydrophobicContact CG1-CG 4.1Å; V151-Y155 HydrophobicContact CG2-CD1 4.32Å; V151-E156 HydrophobicContact CG1-CG 4.49Å; V151-L181 HydrophobicContact CG2-CD1 3.91Å
152	S	61.6	Low	76.7	Confident	56 Å²	56	62.1 Å²	62.1	39%	0.392	32%	0.322	S	S	.	.			trans	-72.6	157.4	175.8	62.9	0	0	0	0	111.1	E150 E154 Y155 E156	E150-S152 PolarHBondContact O-N 3.05Å; E150-S152 VanDerWaalsContact O-N 3.1Å; S152-E154 PolarHBondContact O-N 3.09Å; S152-E154 WeakPolarHBondContact OG-CB 3.36Å; S152-Y155 PolarHBondContact O-N 3.02Å; S152-Y155 VanDerWaalsContact O-N 3.1Å; S152-Y155 PolarHBondContact OG-N 2.69Å; S152-E156 PolarHBondContact O-N 2.94Å
153	K	70	Confident	75.9	Confident	167 Å²	167	64.9 Å²	64.9	73%	0.726	34%	0.337	S	S	*	.	H	α-helix	trans	-55.5	-30.9	166.8	-75	-171.6	174.4	-172.1	0	112.1	Y155 E156 E157	K153-Y155 VanDerWaalsContact C-N 3.32Å; K153-Y155 PolarHBondContact O-N 3.03Å; K153-E156 PolarHBondContact O-N 3Å; K153-E157 WeakPolarHBondContact O-CG 3.37Å; K153-E157 PolarHBondContact O-N 2.96Å
154	E	63.6	Low	75.3	Confident	131 Å²	131	63.7 Å²	63.7	61%	0.612	33%	0.332	S	S	*	.	H	α-helix	trans	-61	-37.7	176.6	-172.8	177.4	-168.1	0	0	112.1	S152 E157 E158	S152-E154 PolarHBondContact O-N 3.09Å; S152-E154 WeakPolarHBondContact OG-CB 3.36Å; E154-E157 PolarHBondContact O-N 2.93Å; E154-E158 WeakPolarHBondContact O-CB 3.03Å; E154-E158 PolarHBondContact O-N 2.84Å
155	Y	68.4	Low	74.7	Confident	35 Å²	35	63.7 Å²	63.7	14%	0.137	33%	0.332	C	S	.	.	H	α-helix	trans	-71.7	-35	175.1	178.2	-100.1	0	0	0	112.9	V151 S152 K153 E157 E158 L159 L181	V151-Y155 HydrophobicContact CG1-CD1 3.43Å; V151-Y155 VanDerWaalsContact CG1-CD1 3.43Å; V151-Y155 HydrophobicContact CG1-CE1 4.3Å; V151-Y155 HydrophobicContact CG1-CG 4.1Å; V151-Y155 HydrophobicContact CG2-CD1 4.32Å; S152-Y155 PolarHBondContact O-N 3.02Å; S152-Y155 VanDerWaalsContact O-N 3.1Å; S152-Y155 PolarHBondContact OG-N 2.69Å; K153-Y155 VanDerWaalsContact C-N 3.32Å; K153-Y155 PolarHBondContact O-N 3.03Å; Y155-E157 VanDerWaalsContact C-N 3.33Å; Y155-E158 PolarHBondContact O-N 3.41Å; Y155-L159 HydrophobicContact CD1-CD1 3.93Å; Y155-L159 HydrophobicContact CD1-CG 4.3Å; Y155-L159 HydrophobicContact CE1-CD1 3.24Å; Y155-L159 HydrophobicContact CE1-CG 3.84Å; Y155-L159 HydrophobicContact CE2-CD1 4.37Å; Y155-L159 HydrophobicContact CE2-CD2 4.37Å; Y155-L159 HydrophobicContact CE2-CG 4.12Å; Y155-L159 PolarHBondContact O-N 2.77Å; Y155-L181 HydrophobicContact CD2-CD2 3.89Å; Y155-L181 HydrophobicContact CE1-CD1 4.44Å; Y155-L181 HydrophobicContact CE1-CD2 4.03Å; Y155-L181 HydrophobicContact CE1-CG 4.44Å; Y155-L181 HydrophobicContact CE2-CD2 3.22Å; Y155-L181 HydrophobicContact CE2-CG 4.32Å; Y155-L181 WeakPolarHBondContact OH-CD2 3.47Å
156	E	81.9	Confident	73.7	Confident	33 Å²	33	65.1 Å²	65.1	15%	0.154	34%	0.344	C	S	.	.	H	α-helix	trans	-62.9	-42.4	172.2	-67.2	-177.4	-175.3	0	0	110.9	I83 K102 Y125 V151 S152 K153 L159 A160	I83-E156 HydrophobicContact CD1-CG 4.21Å; I83-E156 HydrophobicContact CG2-CB 4.3Å; I83-E156 VanDerWaalsContact CG2-O 3.27Å; I83-E156 WeakPolarHBondContact CG2-O 3.42Å; K102-E156 WeakPolarHBondContact CD-OE1 3.26Å; K102-E156 VanDerWaalsContact CE-OE1 3.31Å; K102-E156 WeakPolarHBondContact CE-OE1 3.31Å; K102-E156 IonicContact NZ-OE1 3.81Å; K102-E156 PolarHBondContact NZ-OE1 3.35Å; K102-E156 IonicContact NZ-OE2 2.74Å; Y125-E156 HydrophobicContact CE1-CG 4.02Å; Y125-E156 WeakPolarHBondContact CE1-OE1 3.5Å; Y125-E156 PolarHBondContact OH-OE1 3.04Å; Y125-E156 VanDerWaalsContact OH-OE1 3.1Å; V151-E156 HydrophobicContact CG1-CG 4.49Å; S152-E156 PolarHBondContact O-N 2.94Å; K153-E156 PolarHBondContact O-N 3Å; E156-L159 PolarHBondContact O-N 3.2Å; E156-A160 VanDerWaalsContact O-CB 3.28Å; E156-A160 WeakPolarHBondContact O-CB 3.26Å; E156-A160 PolarHBondContact O-N 2.99Å
157	E	74.2	Confident	73	Confident	120 Å²	120	68.9 Å²	68.9	56%	0.561	37%	0.367	S	S	*	.	H	α-helix	trans	-64.7	-39.9	174.4	-73	172.4	-169.4	0	0	112.2	K153 E154 Y155 A160 N161	K153-E157 WeakPolarHBondContact O-CG 3.37Å; K153-E157 PolarHBondContact O-N 2.96Å; E154-E157 PolarHBondContact O-N 2.93Å; Y155-E157 VanDerWaalsContact C-N 3.33Å; E157-A160 PolarHBondContact O-N 3.41Å; E157-N161 WeakPolarHBondContact O-CB 3.49Å; E157-N161 PolarHBondContact O-N 3.09Å; E157-N161 PolarHBondContact O-ND2 2.74Å
158	E	67.7	Low	72.8	Confident	121 Å²	121	67.4 Å²	67.4	57%	0.565	36%	0.359	S	S	*	.	H	α-helix	trans	-62.5	-48.9	175.8	-172	179.9	-179.6	0	0	111.1	E154 Y155 A160 N161 L162	E154-E158 WeakPolarHBondContact O-CB 3.03Å; E154-E158 PolarHBondContact O-N 2.84Å; Y155-E158 PolarHBondContact O-N 3.41Å; E158-A160 VanDerWaalsContact C-N 3.32Å; E158-A160 PolarHBondContact O-N 2.87Å; E158-N161 PolarHBondContact O-N 3.46Å; E158-L162 VanDerWaalsContact O-CB 3.27Å; E158-L162 WeakPolarHBondContact O-CB 3.43Å; E158-L162 PolarHBondContact O-N 2.7Å
159	L	77.2	Confident	73.2	Confident	11 Å²	11	68.4 Å²	68.4	6%	0.058	36%	0.361	C	S	.	.	H	α-helix	trans	-64.4	-34.5	177.1	-76.2	-177.2	0	0	0	113.3	I83 Y155 E156 W168	I83-L159 HydrophobicContact CG2-CB 4.01Å; Y155-L159 HydrophobicContact CD1-CD1 3.93Å; Y155-L159 HydrophobicContact CD1-CG 4.3Å; Y155-L159 HydrophobicContact CE1-CD1 3.24Å; Y155-L159 HydrophobicContact CE1-CG 3.84Å; Y155-L159 HydrophobicContact CE2-CD1 4.37Å; Y155-L159 HydrophobicContact CE2-CD2 4.37Å; Y155-L159 HydrophobicContact CE2-CG 4.12Å; Y155-L159 PolarHBondContact O-N 2.77Å; E156-L159 PolarHBondContact O-N 3.2Å; L159-W168 HydrophobicContact CD2-CH2 4.03Å; L159-W168 HydrophobicContact CD2-CZ2 4.05Å
160	A	79.5	Confident	74	Confident	37 Å²	37	63 Å²	63	31%	0.306	32%	0.321	S	S	.	.	H	α-helix	trans	-69.4	-35.3	178.3	0	0	0	0	0	112.2	I83 E156 E157 E158	I83-A160 HydrophobicContact CG2-CB 4.24Å; I83-A160 VanDerWaalsContact O-CB 3.31Å; I83-A160 WeakPolarHBondContact O-CB 2.91Å; E156-A160 VanDerWaalsContact O-CB 3.28Å; E156-A160 WeakPolarHBondContact O-CB 3.26Å; E156-A160 PolarHBondContact O-N 2.99Å; E157-A160 PolarHBondContact O-N 3.41Å; E158-A160 VanDerWaalsContact C-N 3.32Å; E158-A160 PolarHBondContact O-N 2.87Å
161	N	72	Confident	74.8	Confident	141 Å²	141	56.6 Å²	56.6	75%	0.754	29%	0.292	S	S	*	.	H	α-helix	trans	-95.4	-12.7	-177	-66.8	-44.3	0	0	0	114	E157 E158	E157-N161 WeakPolarHBondContact O-CB 3.49Å; E157-N161 PolarHBondContact O-N 3.09Å; E157-N161 PolarHBondContact O-ND2 2.74Å; E158-N161 PolarHBondContact O-N 3.46Å
162	L	73	Confident	75.1	Confident	46 Å²	46	59.8 Å²	59.8	24%	0.241	31%	0.311	C	S	.	.	S	Bend	trans	-67.4	141.9	176.6	-171.5	71.1	0	0	0	110.4	F86 E158 P164 V167 W168	F86-L162 WeakPolarHBondContact CE1-O 3.18Å; F86-L162 WeakPolarHBondContact CZ-O 3.06Å; E158-L162 VanDerWaalsContact O-CB 3.27Å; E158-L162 WeakPolarHBondContact O-CB 3.43Å; E158-L162 PolarHBondContact O-N 2.7Å; L162-P164 WeakPolarHBondContact O-CD 3.29Å; L162-V167 HydrophobicContact CD1-CG2 4.06Å; L162-W168 HydrophobicContact CD2-CH2 4.21Å; L162-W168 HydrophobicContact CD2-CZ2 3.32Å
163	N	78.5	Confident	75.3	Confident	58 Å²	58	62.4 Å²	62.4	31%	0.31	32%	0.317	S	S	.	.			trans	-90.5	94.4	164.9	178.3	-4.2	0	0	0	109.7	V48 C165 A166 V167	V48-N163 HydrophobicContact CG2-CB 4.5Å; V48-N163 VanDerWaalsContact CG2-CG 3.43Å; V48-N163 WeakPolarHBondContact CG2-ND2 3.48Å; V48-N163 WeakPolarHBondContact CG2-OD1 3.38Å; N163-C165 PolarHBondContact O-N 3.1Å; N163-C165 WeakPolarHBondContact OD1-CA 3.27Å; N163-C165 VanDerWaalsContact OD1-CB 3.25Å; N163-C165 WeakPolarHBondContact OD1-CB 3.43Å; N163-C165 PolarHBondContact OD1-N 3.44Å; N163-A166 PolarHBondContact O-N 3.02Å; N163-A166 PolarHBondContact OD1-N 3.16Å; N163-V167 WeakPolarHBondContact O-CG2 3.25Å; N163-V167 PolarHBondContact O-N 2.66Å
164	P	83.1	Confident	75.5	Confident	1 Å²	1	54.7 Å²	54.7	1%	0.006	29%	0.285	C	S	.	.	H	α-helix	trans	-68.8	-21.6	-179.5	30.8	-38.1	0	0	0	112.9	F86 I98 L162 A166 W168	F86-P164 HydrophobicContact CB-CG 3.88Å; F86-P164 HydrophobicContact CD1-CG 4.09Å; F86-P164 HydrophobicContact CD2-CG 3.3Å; F86-P164 HydrophobicContact CE1-CG 4.47Å; F86-P164 HydrophobicContact CE2-CG 3.76Å; F86-P164 HydrophobicContact CG-CG 3.48Å; F86-P164 VanDerWaalsContact CG-CG 3.48Å; F86-P164 HydrophobicContact CZ-CG 4.32Å; I98-P164 HydrophobicContact CB-CG 4.4Å; I98-P164 HydrophobicContact CD1-CB 3.98Å; I98-P164 HydrophobicContact CD1-CG 4.19Å; I98-P164 HydrophobicContact CG2-CB 4.32Å; I98-P164 HydrophobicContact CG2-CG 4.25Å; L162-P164 WeakPolarHBondContact O-CD 3.29Å; P164-A166 VanDerWaalsContact C-N 3.26Å; P164-A166 PolarHBondContact O-N 2.85Å; P164-W168 HydrophobicContact CB-CD2 3.69Å; P164-W168 HydrophobicContact CB-CE3 3.27Å; P164-W168 HydrophobicContact CB-CG 4.36Å; P164-W168 HydrophobicContact CB-CH2 3.96Å; P164-W168 HydrophobicContact CB-CZ2 4.38Å; P164-W168 HydrophobicContact CB-CZ3 3.41Å; P164-W168 VanDerWaalsContact CB-CZ3 3.41Å; P164-W168 HydrophobicContact CG-CZ3 4.37Å; P164-W168 WeakPolarHBondContact O-CB 3.36Å; P164-W168 PolarHBondContact O-N 3.3Å
165	C	83.1	Confident	76.5	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-65.6	-31.4	-179.5	-54.9	0	0	0	0	112	S46 V48 C88 N163	S46-C165 WeakPolarHBondContact CB-O 3.45Å; S46-C165 VanDerWaalsContact OG-C 3.22Å; S46-C165 PolarHBondContact OG-O 2.71Å; V48-C165 HydrophobicContact CG2-CB 4.17Å; C88-C165 WeakPolarHBondContact CA-SG 3.48Å; C88-C165 HydrophobicContact CB-CB 3.61Å; C88-C165 WeakPolarHBondContact CB-SG 3.45Å; C88-C165 WeakPolarHBondContact SG-CA 3.2Å; C88-C165 WeakPolarHBondContact SG-CB 3.44Å; C88-C165 CovalentContact SG-SG 2.03Å; C88-C165 PolarHBondContact SG-SG 2.93Å; N163-C165 PolarHBondContact O-N 3.1Å; N163-C165 WeakPolarHBondContact OD1-CA 3.27Å; N163-C165 VanDerWaalsContact OD1-CB 3.25Å; N163-C165 WeakPolarHBondContact OD1-CB 3.43Å; N163-C165 PolarHBondContact OD1-N 3.44Å
166	A	73.3	Confident	77.5	Confident	31 Å²	31	47.8 Å²	47.8	26%	0.256	26%	0.257	S	S	.	.	H	α-helix	trans	-86.5	-51.5	172.6	0	0	0	0	0	111.1	N163 P164 W168	N163-A166 PolarHBondContact O-N 3.02Å; N163-A166 PolarHBondContact OD1-N 3.16Å; P164-A166 VanDerWaalsContact C-N 3.26Å; P164-A166 PolarHBondContact O-N 2.85Å; A166-W168 PolarHBondContact O-N 3.1Å
167	V	75.6	Confident	77.8	Confident	83 Å²	83	48.2 Å²	48.2	50%	0.503	26%	0.257	S	S	.	.	H	α-helix	trans	-75.3	-31.4	-166	-178.3	0	0	0	0	113.5	L162 N163	L162-V167 HydrophobicContact CD1-CG2 4.06Å; N163-V167 WeakPolarHBondContact O-CG2 3.25Å; N163-V167 PolarHBondContact O-N 2.66Å
168	W	84.2	Confident	78.7	Confident	27 Å²	27	42.7 Å²	42.7	10%	0.102	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	4.6	-174.2	-59.3	-17.4	0	0	0	114.1	I98 H100 L159 L162 P164 A166 Y170 Y176 R177 P179	I98-W168 HydrophobicContact CG2-CE3 4.27Å; I98-W168 HydrophobicContact CG2-CZ3 3.89Å; H100-W168 AromaticContact CE1-CH2 3.26Å; H100-W168 WeakPolarHBondContact CE1-CH2 3.45Å; H100-W168 AromaticContact CE1-CZ3 3.26Å; H100-W168 WeakPolarHBondContact CE1-CZ3 3.4Å; H100-W168 AromaticContact NE2-CH2 3.16Å; H100-W168 WeakPolarHBondContact NE2-CH2 3.29Å; H100-W168 AromaticContact NE2-CZ3 3.16Å; H100-W168 WeakPolarHBondContact NE2-CZ3 3.18Å; L159-W168 HydrophobicContact CD2-CH2 4.03Å; L159-W168 HydrophobicContact CD2-CZ2 4.05Å; L162-W168 HydrophobicContact CD2-CH2 4.21Å; L162-W168 HydrophobicContact CD2-CZ2 3.32Å; P164-W168 HydrophobicContact CB-CD2 3.69Å; P164-W168 HydrophobicContact CB-CE3 3.27Å; P164-W168 HydrophobicContact CB-CG 4.36Å; P164-W168 HydrophobicContact CB-CH2 3.96Å; P164-W168 HydrophobicContact CB-CZ2 4.38Å; P164-W168 HydrophobicContact CB-CZ3 3.41Å; P164-W168 VanDerWaalsContact CB-CZ3 3.41Å; P164-W168 HydrophobicContact CG-CZ3 4.37Å; P164-W168 WeakPolarHBondContact O-CB 3.36Å; P164-W168 PolarHBondContact O-N 3.3Å; A166-W168 PolarHBondContact O-N 3.1Å; W168-Y170 PolarHBondContact O-N 2.68Å; W168-Y176 CarbonylContact O-C 3.52Å; W168-Y176 WeakPolarHBondContact O-CA 3.49Å; W168-R177 HydrophobicContact CB-CB 4.39Å; W168-R177 PolarHBondContact O-N 3.35Å; W168-P179 HydrophobicContact CD2-CB 4.46Å; W168-P179 HydrophobicContact CE3-CG 4.31Å; W168-P179 HydrophobicContact CH2-CB 3.68Å; W168-P179 HydrophobicContact CH2-CG 3.41Å; W168-P179 VanDerWaalsContact CH2-CG 3.41Å; W168-P179 HydrophobicContact CZ2-CB 3.45Å; W168-P179 VanDerWaalsContact CZ2-CB 3.45Å; W168-P179 HydrophobicContact CZ2-CG 3.78Å; W168-P179 HydrophobicContact CZ3-CB 4.22Å; W168-P179 HydrophobicContact CZ3-CG 3.69Å
169	K	82.8	Confident	79.6	Confident	45 Å²	45	37.7 Å²	37.7	20%	0.196	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-64.9	124	176.2	-168.6	175.4	-177.3	179.4	0	109.8	N171 Y176	K169-N171 WeakPolarHBondContact CE-O 3.13Å; K169-N171 WeakPolarHBondContact CG-O 3.34Å; K169-Y176 HydrophobicContact CB-CD1 4.3Å; K169-Y176 HydrophobicContact CB-CE1 4.1Å; K169-Y176 HydrophobicContact CG-CE1 4.31Å
170	Y	83.5	Confident	80	Confident	8 Å²	8	38.5 Å²	38.5	3%	0.031	21%	0.214	C	C	.	.			trans	-86.6	-42.3	-179.7	177.8	-102.1	0	0	0	112.5	W168 A175 V199 I226 G230 L231 Y328 T330	W168-Y170 PolarHBondContact O-N 2.68Å; Y170-A175 WeakPolarHBondContact CB-O 3.17Å; Y170-A175 HydrophobicContact CD1-CB 4.34Å; Y170-A175 PolarHBondContact N-O 3.12Å; Y170-V199 HydrophobicContact CD1-CG1 4.38Å; Y170-V199 HydrophobicContact CD1-CG2 4.1Å; Y170-V199 HydrophobicContact CE1-CB 4.22Å; Y170-V199 HydrophobicContact CE1-CG1 3.97Å; Y170-V199 HydrophobicContact CE1-CG2 4.24Å; Y170-I226 HydrophobicContact CD1-CD1 3.53Å; Y170-I226 HydrophobicContact CD2-CD1 3.48Å; Y170-I226 VanDerWaalsContact CD2-CD1 3.48Å; Y170-I226 HydrophobicContact CD2-CG2 4.14Å; Y170-I226 HydrophobicContact CE1-CD1 4.07Å; Y170-I226 HydrophobicContact CE2-CD1 3.99Å; Y170-I226 HydrophobicContact CE2-CG2 4Å; Y170-I226 HydrophobicContact CG-CD1 3.21Å; Y170-G230 VanDerWaalsContact OH-CA 3.26Å; Y170-G230 WeakPolarHBondContact OH-CA 3.44Å; Y170-L231 HydrophobicContact CE1-CD1 4.32Å; Y170-L231 HydrophobicContact CE1-CG 3.99Å; Y170-L231 PolarHBondContact OH-N 3.28Å; Y170-Y328 HydrophobicContact CE2-CD1 4.39Å; Y170-Y328 PolarHBondContact OH-O 2.92Å; Y170-T330 HydrophobicContact CE2-CG2 4.27Å
171	N	76.5	Confident	80	Confident	14 Å²	14	38.4 Å²	38.4	8%	0.075	21%	0.208	C	C	.	.	S	Bend	trans	-148	172.3	-177.7	70.5	-4.9	0	0	0	112	K169 E173 G174 A175 L231	K169-N171 WeakPolarHBondContact CE-O 3.13Å; K169-N171 WeakPolarHBondContact CG-O 3.34Å; N171-E173 PolarHBondContact ND2-OE2 2.91Å; N171-E173 PolarHBondContact O-N 3.34Å; N171-E173 PolarHBondContact OD1-N 2.84Å; N171-G174 PolarHBondContact O-N 2.73Å; N171-G174 PolarHBondContact OD1-N 3.42Å; N171-A175 WeakPolarHBondContact OD1-CB 3.43Å; N171-A175 PolarHBondContact OD1-N 2.99Å; N171-A175 VanDerWaalsContact OD1-N 3.11Å; N171-L231 HydrophobicContact CB-CD1 3.94Å
172	V	67	Low	80.2	Confident	91 Å²	91	35.1 Å²	35.1	55%	0.552	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-21.8	176.7	-81.3	0	0	0	0	113.7	G174	V172-G174 PolarHBondContact O-N 2.78Å
173	E	67.1	Low	80.5	Confident	111 Å²	111	37.7 Å²	37.7	52%	0.519	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	3.6	179.9	-56.9	-179.6	154.8	0	0	113.9	N171	N171-E173 PolarHBondContact ND2-OE2 2.91Å; N171-E173 PolarHBondContact O-N 3.34Å; N171-E173 PolarHBondContact OD1-N 2.84Å
174	G	73.3	Confident	80.8	Confident	4 Å²	4	35.7 Å²	35.7	4%	0.041	20%	0.204	C	C	.	.			trans	89.1	16.6	171.7	0	0	0	0	0	115.3	N171 V172 Y176	N171-G174 PolarHBondContact O-N 2.73Å; N171-G174 PolarHBondContact OD1-N 3.42Å; V172-G174 PolarHBondContact O-N 2.78Å; G174-Y176 WeakPolarHBondContact O-CD2 3.32Å; G174-Y176 WeakPolarHBondContact O-CE2 3.24Å
175	A	83.7	Confident	81	Confident	20 Å²	20	38.6 Å²	38.6	17%	0.165	22%	0.218	C	C	.	.			trans	-73.6	134.9	169.4	0	0	0	0	0	110.6	Y170 N171 V199 I226	Y170-A175 WeakPolarHBondContact CB-O 3.17Å; Y170-A175 HydrophobicContact CD1-CB 4.34Å; Y170-A175 PolarHBondContact N-O 3.12Å; N171-A175 WeakPolarHBondContact OD1-CB 3.43Å; N171-A175 PolarHBondContact OD1-N 2.99Å; N171-A175 VanDerWaalsContact OD1-N 3.11Å; A175-V199 HydrophobicContact CB-CG2 3.7Å; A175-I226 HydrophobicContact CB-CD1 4.37Å
176	Y	89.5	Confident	81.3	Confident	2 Å²	2	40.6 Å²	40.6	1%	0.008	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-117.4	143.3	177.3	-63.7	-85.9	0	0	0	111.1	C88 H96 I98 I129 W168 K169 G174 P197	C88-Y176 HydrophobicContact CB-CE1 4.1Å; C88-Y176 HydrophobicContact CB-CE2 4.15Å; C88-Y176 WeakPolarHBondContact CB-OH 3.26Å; H96-Y176 HydrophobicContact CB-CD2 4.28Å; H96-Y176 HydrophobicContact CB-CE2 3.79Å; H96-Y176 AromaticContact CG-CE2 3.88Å; I98-Y176 HydrophobicContact CD1-CD1 3.81Å; I98-Y176 HydrophobicContact CD1-CD2 4.46Å; I98-Y176 HydrophobicContact CD1-CE1 4.38Å; I98-Y176 HydrophobicContact CD1-CG 3.88Å; I129-Y176 HydrophobicContact CG2-CD2 4.48Å; W168-Y176 CarbonylContact O-C 3.52Å; W168-Y176 WeakPolarHBondContact O-CA 3.49Å; K169-Y176 HydrophobicContact CB-CD1 4.3Å; K169-Y176 HydrophobicContact CB-CE1 4.1Å; K169-Y176 HydrophobicContact CG-CE1 4.31Å; G174-Y176 WeakPolarHBondContact O-CD2 3.32Å; G174-Y176 WeakPolarHBondContact O-CE2 3.24Å; Y176-P197 VanDerWaalsContact O-CG 3.31Å; Y176-P197 WeakPolarHBondContact O-CG 3.3Å
177	R	90.1	Very high	82.1	Confident	41 Å²	41	42.6 Å²	42.6	16%	0.155	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-80.5	143.7	174.5	-63.6	-180	169.5	-81.2	-0.6	110.8	I129 W168 T224 I226 P327 A329	I129-R177 WeakPolarHBondContact CD1-O 3.33Å; W168-R177 HydrophobicContact CB-CB 4.39Å; W168-R177 PolarHBondContact O-N 3.35Å; R177-T224 PolarHBondContact NH1-O 2.92Å; R177-I226 HydrophobicContact CG-CB 4.32Å; R177-P327 PolarHBondContact NH2-O 2.86Å; R177-A329 PolarHBondContact NH1-O 2.81Å; R177-A329 VanDerWaalsContact NH1-O 3.08Å; R177-A329 PolarHBondContact NH2-O 3.41Å
178	L	92.3	Very high	82.7	Confident	4 Å²	4	47.2 Å²	47.2	2%	0.021	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-71.3	135.9	162.1	-66.8	171	0	0	0	109.4	T127 I129 Y143 I180 Y194 P196 G225	T127-L178 HydrophobicContact CG2-CD2 3.82Å; I129-L178 HydrophobicContact CD1-CD2 3.65Å; I129-L178 HydrophobicContact CD1-CG 4.21Å; I129-L178 HydrophobicContact CG1-CD2 3.88Å; Y143-L178 VanDerWaalsContact C-CD1 3.49Å; Y143-L178 WeakPolarHBondContact O-CD1 3.33Å; L178-I180 HydrophobicContact CB-CD1 4.25Å; L178-I180 PolarHBondContact O-N 2.79Å; L178-Y194 HydrophobicContact CD1-CE2 4.45Å; L178-P196 HydrophobicContact CD1-CB 4.08Å; L178-G225 PolarHBondContact N-O 2.85Å; L178-G225 WeakPolarHBondContact O-CA 3.45Å
179	P	87	Confident	82.9	Confident	16 Å²	16	49.9 Å²	49.9	10%	0.104	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-68.9	126.2	171.1	30.1	-34.1	0	0	0	109.8	T127 W168	T127-P179 HydrophobicContact CG2-CG 4.21Å; W168-P179 HydrophobicContact CD2-CB 4.46Å; W168-P179 HydrophobicContact CE3-CG 4.31Å; W168-P179 HydrophobicContact CH2-CB 3.68Å; W168-P179 HydrophobicContact CH2-CG 3.41Å; W168-P179 VanDerWaalsContact CH2-CG 3.41Å; W168-P179 HydrophobicContact CZ2-CB 3.45Å; W168-P179 VanDerWaalsContact CZ2-CB 3.45Å; W168-P179 HydrophobicContact CZ2-CG 3.78Å; W168-P179 HydrophobicContact CZ3-CB 4.22Å; W168-P179 HydrophobicContact CZ3-CG 3.69Å
180	I	86	Confident	83	Confident	29 Å²	29	54.7 Å²	54.7	15%	0.149	29%	0.286	C	S	.	.			trans	-119.5	119.1	176.1	-51.3	-59.9	0	0	0	108	L178 M184 L185 F191 Y194 R223	L178-I180 HydrophobicContact CB-CD1 4.25Å; L178-I180 PolarHBondContact O-N 2.79Å; I180-M184 HydrophobicContact CG2-CB 4.08Å; I180-L185 HydrophobicContact CB-CD2 3.96Å; I180-L185 HydrophobicContact CG2-CD2 3.73Å; I180-L185 HydrophobicContact CG2-CG 4.33Å; I180-F191 HydrophobicContact CD1-CE1 4.2Å; I180-F191 HydrophobicContact CD1-CZ 4.05Å; I180-F191 HydrophobicContact CG2-CZ 4.11Å; I180-Y194 HydrophobicContact CD1-CD2 4.24Å; I180-Y194 HydrophobicContact CD1-CE2 3.61Å; I180-Y194 HydrophobicContact CG1-CE2 4.43Å; I180-R223 HydrophobicContact CG2-CB 4.42Å
181	L	79.5	Confident	83.4	Confident	35 Å²	35	55.9 Å²	55.9	18%	0.183	29%	0.291	C	S	.	.			trans	-56.9	143.8	172.6	-75.3	177.6	0	0	0	110.5	F146 V151 Y155 D183 M184 L185	F146-L181 HydrophobicContact CE2-CD1 3.45Å; F146-L181 VanDerWaalsContact CE2-CD1 3.45Å; F146-L181 HydrophobicContact CE2-CG 4.36Å; F146-L181 HydrophobicContact CZ-CD1 3.49Å; F146-L181 VanDerWaalsContact CZ-CD1 3.49Å; F146-L181 HydrophobicContact CZ-CG 3.96Å; V151-L181 HydrophobicContact CG2-CD1 3.91Å; Y155-L181 HydrophobicContact CD2-CD2 3.89Å; Y155-L181 HydrophobicContact CE1-CD1 4.44Å; Y155-L181 HydrophobicContact CE1-CD2 4.03Å; Y155-L181 HydrophobicContact CE1-CG 4.44Å; Y155-L181 HydrophobicContact CE2-CD2 3.22Å; Y155-L181 HydrophobicContact CE2-CG 4.32Å; Y155-L181 WeakPolarHBondContact OH-CD2 3.47Å; L181-D183 PolarHBondContact O-N 2.89Å; L181-D183 VanDerWaalsContact O-N 3.16Å; L181-M184 HydrophobicContact CB-CB 4.19Å; L181-M184 HydrophobicContact CB-CG 4.09Å; L181-M184 CarbonylContact O-C 3.51Å; L181-M184 WeakPolarHBondContact O-CA 3.46Å; L181-M184 WeakPolarHBondContact O-CB 3.13Å; L181-M184 PolarHBondContact O-N 3.44Å; L181-L185 PolarHBondContact O-N 3.41Å; L181-L185 VanDerWaalsContact O-N 3.15Å
182	A	75.5	Confident	84.2	Confident	72 Å²	72	57.9 Å²	57.9	60%	0.595	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-50.3	-43.2	178.7	0	0	0	0	0	112.3	M184 L185	A182-M184 PolarHBondContact O-N 3.08Å; A182-L185 WeakPolarHBondContact O-CG 3.28Å; A182-L185 PolarHBondContact O-N 3.38Å
183	D	79	Confident	85.4	Confident	100 Å²	100	54.5 Å²	54.5	54%	0.535	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-72.7	-12	180	-59.4	-44	0	0	0	114.4	L181 K189	L181-D183 PolarHBondContact O-N 2.89Å; L181-D183 VanDerWaalsContact O-N 3.16Å; D183-K189 VanDerWaalsContact O-CD 3.27Å; D183-K189 WeakPolarHBondContact O-CD 3.35Å; D183-K189 WeakPolarHBondContact O-CE 3.49Å; D183-K189 VanDerWaalsContact O-CG 3.29Å; D183-K189 WeakPolarHBondContact O-CG 3.44Å; D183-K189 PolarHBondContact O-NZ 3.28Å
184	M	85.8	Confident	86.8	Confident	16 Å²	16	51.5 Å²	51.5	8%	0.079	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-103.7	-7.1	178.6	-65.8	-62	-62.8	0	0	113.1	F146 I180 L181 A182 K189 N190 F191	F146-M184 HydrophobicContact CB-CE 3.43Å; F146-M184 VanDerWaalsContact CB-CE 3.43Å; F146-M184 HydrophobicContact CD2-CE 4.26Å; F146-M184 HydrophobicContact CD2-CG 4.07Å; F146-M184 HydrophobicContact CD2-SD 4.34Å; F146-M184 HydrophobicContact CE2-CG 4.37Å; F146-M184 HydrophobicContact CG-CE 3.92Å; F146-M184 HydrophobicContact CG-CG 4.32Å; I180-M184 HydrophobicContact CG2-CB 4.08Å; L181-M184 HydrophobicContact CB-CB 4.19Å; L181-M184 HydrophobicContact CB-CG 4.09Å; L181-M184 CarbonylContact O-C 3.51Å; L181-M184 WeakPolarHBondContact O-CA 3.46Å; L181-M184 WeakPolarHBondContact O-CB 3.13Å; L181-M184 PolarHBondContact O-N 3.44Å; A182-M184 PolarHBondContact O-N 3.08Å; M184-K189 HydrophobicContact CE-CB 4.26Å; M184-K189 HydrophobicContact SD-CB 4.26Å; M184-K189 HydrophobicContact SD-CD 4.4Å; M184-N190 WeakPolarHBondContact CE-O 3.31Å; M184-F191 HydrophobicContact CB-CE2 4.03Å; M184-F191 HydrophobicContact CB-CZ 3.8Å; M184-F191 HydrophobicContact CE-CD1 4.43Å; M184-F191 HydrophobicContact CE-CD2 3.76Å; M184-F191 HydrophobicContact CE-CE1 4.25Å; M184-F191 HydrophobicContact CE-CE2 3.53Å; M184-F191 HydrophobicContact CE-CG 4.21Å; M184-F191 HydrophobicContact CE-CZ 3.8Å; M184-F191 WeakPolarHBondContact O-CE2 3.35Å
185	L	86.7	Confident	87.8	Confident	61 Å²	61	55.9 Å²	55.9	32%	0.319	28%	0.284	S	S	.	.			trans	-54.1	-51.3	175.3	-59.5	169	0	0	0	111.7	I180 L181 A182 W187 G222 R223	I180-L185 HydrophobicContact CB-CD2 3.96Å; I180-L185 HydrophobicContact CG2-CD2 3.73Å; I180-L185 HydrophobicContact CG2-CG 4.33Å; L181-L185 PolarHBondContact O-N 3.41Å; L181-L185 VanDerWaalsContact O-N 3.15Å; A182-L185 WeakPolarHBondContact O-CG 3.28Å; A182-L185 PolarHBondContact O-N 3.38Å; L185-W187 PolarHBondContact O-N 3.02Å; L185-G222 CarbonylContact O-C 3.58Å; L185-G222 WeakPolarHBondContact O-CA 3.47Å; L185-R223 WeakPolarHBondContact CD2-O 3.42Å; L185-R223 PolarHBondContact O-N 3.03Å
186	P	89.5	Confident	88.3	Confident	42 Å²	42	55.5 Å²	55.5	27%	0.273	28%	0.28	S	S	.	.	S	Bend	trans	-60.3	136.9	-169.6	-25.2	36	0	0	0	113.9	K188 K189 R223	P186-K188 HydrophobicContact CB-CG 3.96Å; P186-K188 PolarHBondContact O-N 2.93Å; P186-K189 HydrophobicContact CB-CG 4.33Å; P186-K189 WeakPolarHBondContact O-CB 3.23Å; P186-K189 PolarHBondContact O-N 2.92Å; P186-R223 PolarHBondContact O-NH1 3.24Å
187	W	90.5	Very high	88.5	Confident	74 Å²	74	55.8 Å²	55.8	28%	0.28	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-31.9	-179	-70	108	0	0	0	114.6	L185 K189 K218 N219 R223 D331	L185-W187 PolarHBondContact O-N 3.02Å; W187-K189 PolarHBondContact O-N 2.93Å; W187-K218 HydrophobicContact CD2-CD 4.16Å; W187-K218 HydrophobicContact CE3-CD 4.41Å; W187-K218 HydrophobicContact CZ2-CB 4.03Å; W187-K218 HydrophobicContact CZ2-CG 4.17Å; W187-N219 PolarHBondContact NE1-O 3.22Å; W187-R223 HydrophobicContact CE3-CG 4Å; W187-R223 HydrophobicContact CH2-CG 4Å; W187-R223 HydrophobicContact CZ2-CG 4.5Å; W187-R223 HydrophobicContact CZ3-CG 3.74Å; W187-R223 PolarHBondContact O-NH2 3.35Å; W187-D331 HydrophobicContact CH2-CB 3.97Å; W187-D331 HydrophobicContact CZ2-CB 4.23Å
188	K	87.9	Confident	88.4	Confident	179 Å²	179	56.5 Å²	56.5	78%	0.778	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-17	177.2	65.6	-177.7	178.7	-174.6	0	114.5	P186	P186-K188 HydrophobicContact CB-CG 3.96Å; P186-K188 PolarHBondContact O-N 2.93Å
189	K	88	Confident	88.1	Confident	84 Å²	84	56.9 Å²	56.9	37%	0.365	29%	0.293	S	S	.	.	S	Bend	trans	-77.9	134.8	177.4	-67.8	-82.9	-177.4	156.5	0	109.8	D183 M184 P186 W187 R223	D183-K189 VanDerWaalsContact O-CD 3.27Å; D183-K189 WeakPolarHBondContact O-CD 3.35Å; D183-K189 WeakPolarHBondContact O-CE 3.49Å; D183-K189 VanDerWaalsContact O-CG 3.29Å; D183-K189 WeakPolarHBondContact O-CG 3.44Å; D183-K189 PolarHBondContact O-NZ 3.28Å; M184-K189 HydrophobicContact CE-CB 4.26Å; M184-K189 HydrophobicContact SD-CB 4.26Å; M184-K189 HydrophobicContact SD-CD 4.4Å; P186-K189 HydrophobicContact CB-CG 4.33Å; P186-K189 WeakPolarHBondContact O-CB 3.23Å; P186-K189 PolarHBondContact O-N 2.92Å; W187-K189 PolarHBondContact O-N 2.93Å; K189-R223 PolarHBondContact O-NH1 3.46Å; K189-R223 PolarHBondContact O-NH2 2.9Å; K189-R223 VanDerWaalsContact O-NH2 3.08Å
190	N	85.5	Confident	87.6	Confident	146 Å²	146	59.8 Å²	59.8	78%	0.781	30%	0.304	S	S	*	.	P	Polyproline II helix	trans	-83.8	120.7	-176.4	-67.7	-24.5	0	0	0	110.2	M184	M184-N190 WeakPolarHBondContact CE-O 3.31Å
191	F	91.2	Very high	86.7	Confident	32 Å²	32	61 Å²	61	14%	0.14	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-96	142.7	163.7	-82.7	-102.4	0	0	0	108.8	F146 I180 M184 L193 Y194 R223	F146-F191 HydrophobicContact CB-CD1 3.93Å; F146-F191 HydrophobicContact CB-CE1 4.08Å; F146-F191 HydrophobicContact CB-CG 4.48Å; F146-F191 HydrophobicContact CD1-CD1 4.29Å; F146-F191 AromaticContact CD1-CE1 3.75Å; F146-F191 HydrophobicContact CD1-CE1 3.75Å; F146-F191 HydrophobicContact CD1-CZ 4.49Å; F146-F191 HydrophobicContact CG-CE1 4.26Å; I180-F191 HydrophobicContact CD1-CE1 4.2Å; I180-F191 HydrophobicContact CD1-CZ 4.05Å; I180-F191 HydrophobicContact CG2-CZ 4.11Å; M184-F191 HydrophobicContact CB-CE2 4.03Å; M184-F191 HydrophobicContact CB-CZ 3.8Å; M184-F191 HydrophobicContact CE-CD1 4.43Å; M184-F191 HydrophobicContact CE-CD2 3.76Å; M184-F191 HydrophobicContact CE-CE1 4.25Å; M184-F191 HydrophobicContact CE-CE2 3.53Å; M184-F191 HydrophobicContact CE-CG 4.21Å; M184-F191 HydrophobicContact CE-CZ 3.8Å; M184-F191 WeakPolarHBondContact O-CE2 3.35Å; F191-L193 WeakPolarHBondContact CD1-O 3.45Å; F191-Y194 HydrophobicContact CD1-CD2 4.08Å; F191-Y194 HydrophobicContact CD1-CG 4.43Å; F191-Y194 HydrophobicContact CE1-CD2 4.05Å; F191-Y194 HydrophobicContact CG-CD2 4.42Å; F191-Y194 HydrophobicContact CG-CG 4.38Å; F191-Y194 HydrophobicContact CZ-CD2 4.36Å; F191-R223 VanDerWaalsContact CE2-CD 3.46Å
192	L	92.2	Very high	85.8	Confident	56 Å²	56	68 Å²	68	29%	0.293	34%	0.34	S	S	.	.	S	Bend	trans	-69.8	-40.8	166.9	-60.8	-179.3	0	0	0	110.1	L71 F77 V124 C145 E147	L71-L192 HydrophobicContact CD2-CB 3.76Å; L71-L192 HydrophobicContact CD2-CD1 4.25Å; F77-L192 HydrophobicContact CE1-CD1 3.79Å; F77-L192 HydrophobicContact CZ-CD1 4.08Å; V124-L192 HydrophobicContact CG1-CD1 3.75Å; V124-L192 HydrophobicContact CG2-CD1 4.01Å; C145-L192 HydrophobicContact CB-CB 4.11Å; C145-L192 WeakPolarHBondContact O-CB 3.46Å; C145-L192 PolarHBondContact O-N 3.19Å; E147-L192 HydrophobicContact CG-CD1 3.94Å; E147-L192 HydrophobicContact CG-CG 4.38Å
193	L	94.2	Very high	85	Confident	20 Å²	20	72.3 Å²	72.3	11%	0.105	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	137	171	-62.7	176.3	0	0	0	109.4	L67 K70 L71 Y143 S144 C145 F191	L67-L193 HydrophobicContact CD2-CD1 4.26Å; K70-L193 HydrophobicContact CB-CD1 3.93Å; K70-L193 HydrophobicContact CB-CD2 3.97Å; K70-L193 WeakPolarHBondContact O-CD2 3.22Å; L71-L193 HydrophobicContact CD2-CD1 3.85Å; L71-L193 HydrophobicContact CD2-CD2 4.46Å; L71-L193 HydrophobicContact CD2-CG 3.75Å; L71-L193 HydrophobicContact CG-CD1 3.94Å; L71-L193 HydrophobicContact CG-CG 4.34Å; Y143-L193 HydrophobicContact CD2-CB 3.84Å; Y143-L193 HydrophobicContact CD2-CD1 4.04Å; Y143-L193 HydrophobicContact CD2-CG 4.46Å; Y143-L193 HydrophobicContact CE2-CB 3.99Å; Y143-L193 HydrophobicContact CE2-CD1 4.14Å; Y143-L193 HydrophobicContact CE2-CD2 4.29Å; Y143-L193 HydrophobicContact CE2-CG 4.38Å; S144-L193 CarbonylContact C-O 3.56Å; S144-L193 WeakPolarHBondContact CA-O 3.44Å; C145-L193 HydrophobicContact CB-CB 3.95Å; C145-L193 HydrophobicContact CB-CD1 4.39Å; C145-L193 HydrophobicContact CB-CG 4.25Å; C145-L193 PolarHBondContact N-O 3.46Å; C145-L193 PolarHBondContact O-N 2.76Å; C145-L193 VanDerWaalsContact O-N 3.09Å; F191-L193 WeakPolarHBondContact CD1-O 3.45Å
194	Y	95	Very high	84.2	Confident	49 Å²	49	69.8 Å²	69.8	19%	0.192	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	103.3	170.1	-175.9	-107.3	0	0	0	109.8	L178 I180 F191 P196 R223 G225 D331	L178-Y194 HydrophobicContact CD1-CE2 4.45Å; I180-Y194 HydrophobicContact CD1-CD2 4.24Å; I180-Y194 HydrophobicContact CD1-CE2 3.61Å; I180-Y194 HydrophobicContact CG1-CE2 4.43Å; F191-Y194 HydrophobicContact CD1-CD2 4.08Å; F191-Y194 HydrophobicContact CD1-CG 4.43Å; F191-Y194 HydrophobicContact CE1-CD2 4.05Å; F191-Y194 HydrophobicContact CG-CD2 4.42Å; F191-Y194 HydrophobicContact CG-CG 4.38Å; F191-Y194 HydrophobicContact CZ-CD2 4.36Å; Y194-P196 HydrophobicContact CD1-CG 4.49Å; Y194-P196 HydrophobicContact CE1-CG 3.78Å; Y194-P196 HydrophobicContact CE2-CB 4.42Å; Y194-P196 HydrophobicContact CE2-CG 4.46Å; Y194-R223 HydrophobicContact CD1-CG 4.24Å; Y194-R223 HydrophobicContact CE1-CB 4.19Å; Y194-R223 HydrophobicContact CE1-CG 3.61Å; Y194-R223 HydrophobicContact CE2-CB 4.22Å; Y194-R223 HydrophobicContact CE2-CG 4.3Å; Y194-R223 WeakPolarHBondContact OH-CB 3.43Å; Y194-G225 WeakPolarHBondContact OH-CA 3.43Å; Y194-G225 PolarHBondContact OH-N 2.87Å; Y194-D331 WeakPolarHBondContact CE1-OD2 3.27Å; Y194-D331 VanDerWaalsContact CZ-OD2 3.26Å; Y194-D331 VanDerWaalsContact OH-CG 3.27Å; Y194-D331 PolarHBondContact OH-OD1 2.85Å; Y194-D331 PolarHBondContact OH-OD2 2.87Å
195	H	94.7	Very high	82.7	Confident	96 Å²	96	78.3 Å²	78.3	44%	0.444	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	80.6	178.7	-164.6	84.6	0	0	0	108.4	G142 Y143	G142-H195 CarbonylContact C-O 3.54Å; G142-H195 WeakPolarHBondContact CA-O 3.36Å; Y143-H195 HydrophobicContact CD1-CB 4.15Å; Y143-H195 HydrophobicContact CD2-CB 4.01Å; Y143-H195 HydrophobicContact CE1-CB 3.77Å; Y143-H195 HydrophobicContact CE2-CB 3.59Å; Y143-H195 HydrophobicContact CG-CB 4.28Å; Y143-H195 VanDerWaalsContact CZ-CB 3.47Å; Y143-H195 AromaticContact CZ-CG 3.94Å; Y143-H195 PolarHBondContact N-O 2.62Å; Y143-H195 CarbonylContact O-C 3.57Å; Y143-H195 PolarHBondContact O-N 2.76Å
196	P	94.9	Very high	81.6	Confident	12 Å²	12	76 Å²	76	8%	0.078	37%	0.365	C	S	.	.			trans	-70	156.4	-178.3	31.7	-37.7	0	0	0	111.8	L178 Y194 G225 A227	L178-P196 HydrophobicContact CD1-CB 4.08Å; Y194-P196 HydrophobicContact CD1-CG 4.49Å; Y194-P196 HydrophobicContact CE1-CG 3.78Å; Y194-P196 HydrophobicContact CE2-CB 4.42Å; Y194-P196 HydrophobicContact CE2-CG 4.46Å; P196-G225 VanDerWaalsContact CB-C 3.49Å; P196-G225 WeakPolarHBondContact CB-O 3.31Å; P196-A227 HydrophobicContact CG-CB 3.69Å
197	P	92.4	Very high	80.3	Confident	8 Å²	8	74.6 Å²	74.6	5%	0.052	36%	0.356	C	S	.	.			trans	-56.2	139.6	170.1	-27.5	39.8	0	0	0	111.5	S141 Y176 I226 A227	S141-P197 VanDerWaalsContact O-CA 3.27Å; S141-P197 WeakPolarHBondContact O-CA 3.23Å; Y176-P197 VanDerWaalsContact O-CG 3.31Å; Y176-P197 WeakPolarHBondContact O-CG 3.3Å; P197-I226 HydrophobicContact CB-CG1 4.49Å; P197-I226 WeakPolarHBondContact O-CG1 3.08Å; P197-A227 PolarHBondContact O-N 2.93Å
198	V	88.4	Confident	78.7	Confident	56 Å²	56	78 Å²	78	34%	0.339	39%	0.385	S	S	.	.	B	Isolated β-bridge	trans	-105.9	126.1	-177.2	-170.2	0	0	0	0	109.6	F200 L213 A227	V198-F200 HydrophobicContact CB-CE2 4.3Å; V198-F200 HydrophobicContact CG1-CD2 4.11Å; V198-F200 HydrophobicContact CG1-CE1 4.07Å; V198-F200 HydrophobicContact CG1-CE2 3.35Å; V198-F200 HydrophobicContact CG1-CZ 3.32Å; V198-L213 HydrophobicContact CG1-CD1 4.1Å; V198-L213 HydrophobicContact CG2-CD2 4.02Å; V198-A227 CarbonylContact C-O 3.58Å; V198-A227 WeakPolarHBondContact CA-O 3.44Å; V198-A227 HydrophobicContact CG2-CB 4.36Å
199	V	86.2	Confident	77	Confident	12 Å²	12	72.7 Å²	72.7	7%	0.073	38%	0.381	C	S	.	.			trans	-119	128.2	179.8	-174.4	0	0	0	0	110.8	Y170 A175 I226 A227 G230	Y170-V199 HydrophobicContact CD1-CG1 4.38Å; Y170-V199 HydrophobicContact CD1-CG2 4.1Å; Y170-V199 HydrophobicContact CE1-CB 4.22Å; Y170-V199 HydrophobicContact CE1-CG1 3.97Å; Y170-V199 HydrophobicContact CE1-CG2 4.24Å; A175-V199 HydrophobicContact CB-CG2 3.7Å; V199-I226 HydrophobicContact CB-CD1 4.46Å; V199-I226 HydrophobicContact CG2-CD1 3.49Å; V199-I226 VanDerWaalsContact CG2-CD1 3.49Å; V199-I226 HydrophobicContact CG2-CG1 4Å; V199-A227 PolarHBondContact N-O 3.12Å; V199-G230 PolarHBondContact O-N 3.12Å
200	F	76.9	Confident	75.3	Confident	76 Å²	76	71.3 Å²	71.3	33%	0.333	39%	0.39	S	S	.	.			trans	-124.1	156.4	174.7	-57.8	-72.7	0	0	0	109	V198 E204 W235	V198-F200 HydrophobicContact CB-CE2 4.3Å; V198-F200 HydrophobicContact CG1-CD2 4.11Å; V198-F200 HydrophobicContact CG1-CE1 4.07Å; V198-F200 HydrophobicContact CG1-CE2 3.35Å; V198-F200 HydrophobicContact CG1-CZ 3.32Å; F200-E204 HydrophobicContact CB-CB 4.3Å; F200-W235 HydrophobicContact CD1-CH2 4.28Å; F200-W235 AromaticContact CD1-CZ2 3.92Å; F200-W235 HydrophobicContact CD1-CZ2 3.92Å; F200-W235 AromaticContact CE1-CH2 3.65Å; F200-W235 HydrophobicContact CE1-CH2 3.65Å; F200-W235 AromaticContact CE1-CZ2 3.64Å; F200-W235 HydrophobicContact CE1-CZ2 3.64Å
201	L	67.2	Low	73.9	Confident	56 Å²	56	71 Å²	71	29%	0.293	38%	0.384	S	S	.	.			trans	-74.4	158.1	159.8	-63.2	-174.9	0	0	0	109.2	D203 E204 R229 L231 F282	L201-D203 PolarHBondContact O-N 3.27Å; L201-E204 WeakPolarHBondContact O-CB 3.28Å; L201-E204 PolarHBondContact O-N 3.18Å; L201-R229 VanDerWaalsContact CB-NH2 3.27Å; L201-R229 VanDerWaalsContact CD1-NH1 3.33Å; L201-L231 HydrophobicContact CD2-CD2 4.04Å; L201-F282 HydrophobicContact CD1-CE1 4.49Å; L201-F282 HydrophobicContact CD1-CE2 4.44Å; L201-F282 HydrophobicContact CD1-CZ 3.7Å
202	K	59.5	Low	72.7	Confident	180 Å²	180	71 Å²	71	78%	0.783	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.1	131.8	-177.9	-70.7	-179.4	178.4	176.6	0	110.7	E204	K202-E204 PolarHBondContact O-N 2.89Å
203	D	59.3	Low	71.9	Confident	163 Å²	163	71.6 Å²	71.6	87%	0.872	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.5	3.8	177	-50.7	-46.6	0	0	0	118.3	L201	L201-D203 PolarHBondContact O-N 3.27Å
204	E	62.2	Low	70.8	Confident	48 Å²	48	76 Å²	76	22%	0.224	43%	0.429	C	S	.	.			trans	-80.4	126.2	178.5	-166.8	177.5	-173.2	0	0	112.9	F200 L201 K202 R229 W235	F200-E204 HydrophobicContact CB-CB 4.3Å; L201-E204 WeakPolarHBondContact O-CB 3.28Å; L201-E204 PolarHBondContact O-N 3.18Å; K202-E204 PolarHBondContact O-N 2.89Å; E204-R229 VanDerWaalsContact CD-NE 3.33Å; E204-R229 IonicContact OE1-CZ 2.68Å; E204-R229 IonicContact OE1-NE 3.45Å; E204-R229 PolarHBondContact OE1-NE 2.91Å; E204-R229 IonicContact OE1-NH2 2.73Å; E204-R229 IonicContact OE2-CZ 2.92Å; E204-R229 IonicContact OE2-NE 3.54Å; E204-R229 PolarHBondContact OE2-NE 2.89Å; E204-R229 IonicContact OE2-NH2 3.78Å; E204-R229 PolarHBondContact OE2-NH2 3.39Å; E204-W235 PolarHBondContact OE1-NE1 3.31Å
205	K	55.2	Low	70.1	Confident	195 Å²	195	75.9 Å²	75.9	85%	0.848	44%	0.438	S	S	*	.			trans	-94.3	19.2	-175.6	-66.9	-174	179.7	177.4	0	115.1
206	G	63.3	Low	69.7	Low	12 Å²	12	71.7 Å²	71.7	12%	0.124	42%	0.42	C	S	.	.	S	Bend	trans	106.6	-169.6	-175.3	0	0	0	0	0	113.4	W235	G206-W235 VanDerWaalsContact C-CZ2 3.5Å
207	P	61.9	Low	69.6	Low	13 Å²	13	73.2 Å²	73.2	8%	0.084	43%	0.43	C	S	.	.	S	Bend	trans	-60.9	156.4	-179.2	25.7	-33.3	0	0	0	111.6	G209 G210 G212 A216 W235	P207-G209 PolarHBondContact O-N 2.9Å; P207-G209 VanDerWaalsContact O-N 3.16Å; P207-G210 PolarHBondContact O-N 3.31Å; P207-G212 WeakPolarHBondContact CG-O 3.2Å; P207-A216 HydrophobicContact CG-CB 4.21Å; P207-W235 HydrophobicContact CB-CD2 3.96Å; P207-W235 HydrophobicContact CB-CE3 4.26Å; P207-W235 HydrophobicContact CB-CG 4.22Å
208	V	56.3	Low	69.6	Low	145 Å²	145	79.1 Å²	79.1	88%	0.879	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.5	122.2	179.8	-178.3	0	0	0	0	110.3
209	G	53.3	Low	69.8	Low	67 Å²	67	76.5 Å²	76.5	69%	0.691	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.6	-0.4	-178.5	0	0	0	0	0	116.1	P207 Q211	P207-G209 PolarHBondContact O-N 2.9Å; P207-G209 VanDerWaalsContact O-N 3.16Å; G209-Q211 VanDerWaalsContact C-N 3.25Å; G209-Q211 PolarHBondContact O-N 3Å
210	G	52.6	Low	69.9	Low	55 Å²	55	79.3 Å²	79.3	57%	0.567	46%	0.458	S	S	*	.	S	Bend	trans	69.7	16.3	171.1	0	0	0	0	0	115.1	P207 G212	P207-G210 PolarHBondContact O-N 3.31Å; G210-G212 PolarHBondContact O-N 3.11Å
211	Q	56	Low	70.4	Confident	140 Å²	140	80.1 Å²	80.1	65%	0.654	46%	0.462	S	S	*	.			trans	-74.3	13.9	-174.4	-65.6	-176.6	-7.3	0	0	114.9	G209 A215	G209-Q211 VanDerWaalsContact C-N 3.25Å; G209-Q211 PolarHBondContact O-N 3Å; Q211-A215 HydrophobicContact CB-CB 3.53Å
212	G	65.1	Low	71.5	Confident	32 Å²	32	77.5 Å²	77.5	33%	0.33	45%	0.449	S	S	.	.			trans	68.5	178.3	-177.7	0	0	0	0	0	114.2	P207 G210 S214 A215	P207-G212 WeakPolarHBondContact CG-O 3.2Å; G210-G212 PolarHBondContact O-N 3.11Å; G212-S214 VanDerWaalsContact C-N 3.28Å; G212-S214 PolarHBondContact O-N 3.43Å; G212-A215 PolarHBondContact O-N 2.99Å
213	L	75.1	Confident	73.1	Confident	68 Å²	68	70.1 Å²	70.1	36%	0.356	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-71.1	-20.5	-173.7	-154.7	75	0	0	0	113.5	V198 A215 A216 A227 W235	V198-L213 HydrophobicContact CG1-CD1 4.1Å; V198-L213 HydrophobicContact CG2-CD2 4.02Å; L213-A215 VanDerWaalsContact C-N 3.3Å; L213-A215 PolarHBondContact O-N 3.44Å; L213-A216 VanDerWaalsContact O-CB 3.22Å; L213-A216 WeakPolarHBondContact O-CB 3.07Å; L213-A216 PolarHBondContact O-N 2.94Å; L213-A227 HydrophobicContact CD2-CB 3.9Å; L213-W235 HydrophobicContact CD1-CH2 3.96Å; L213-W235 HydrophobicContact CD1-CZ3 4.12Å
214	S	72.6	Confident	74.6	Confident	112 Å²	112	63.6 Å²	63.6	78%	0.783	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-67.9	-29.3	178.3	50.2	0	0	0	0	113.1	G212 A216	G212-S214 VanDerWaalsContact C-N 3.28Å; G212-S214 PolarHBondContact O-N 3.43Å; S214-A216 VanDerWaalsContact C-N 3.33Å
215	A	79.7	Confident	76.1	Confident	48 Å²	48	61.3 Å²	61.3	40%	0.397	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-87.1	-3.5	174.9	0	0	0	0	0	113	Q211 G212 L213	Q211-A215 HydrophobicContact CB-CB 3.53Å; G212-A215 PolarHBondContact O-N 2.99Å; L213-A215 VanDerWaalsContact C-N 3.3Å; L213-A215 PolarHBondContact O-N 3.44Å
216	A	86.6	Confident	77.8	Confident	7 Å²	7	52 Å²	52	6%	0.058	33%	0.331	C	S	.	.	S	Bend	trans	-67.8	148.1	-179.4	0	0	0	0	0	111.2	P207 L213 S214 W235 N332	P207-A216 HydrophobicContact CG-CB 4.21Å; L213-A216 VanDerWaalsContact O-CB 3.22Å; L213-A216 WeakPolarHBondContact O-CB 3.07Å; L213-A216 PolarHBondContact O-N 2.94Å; S214-A216 VanDerWaalsContact C-N 3.33Å; A216-W235 HydrophobicContact CB-CE3 3.86Å; A216-W235 HydrophobicContact CB-CZ3 3.6Å; A216-N332 HydrophobicContact CB-CB 4.03Å; A216-N332 WeakPolarHBondContact CB-ND2 3.33Å
217	P	91.2	Very high	79.2	Confident	45 Å²	45	51.6 Å²	51.6	29%	0.292	33%	0.326	S	S	.	.			trans	-52.3	149.2	172.1	-26	35.7	0	0	0	111.2	W235 N332 W334	P217-W235 HydrophobicContact CG-CB 4.36Å; P217-N332 WeakPolarHBondContact O-CA 3.11Å; P217-N332 WeakPolarHBondContact O-CB 3.19Å; P217-N332 PolarHBondContact O-ND2 3.44Å; P217-W334 HydrophobicContact CB-CH2 3.76Å; P217-W334 HydrophobicContact CB-CZ3 3.74Å
218	K	92.2	Very high	80.5	Confident	132 Å²	132	51 Å²	51	57%	0.574	32%	0.322	S	S	*	.			trans	-107.8	126.7	175.9	-71.5	-175.2	-179.2	178.1	0	109.7	W187 W334	W187-K218 HydrophobicContact CD2-CD 4.16Å; W187-K218 HydrophobicContact CE3-CD 4.41Å; W187-K218 HydrophobicContact CZ2-CB 4.03Å; W187-K218 HydrophobicContact CZ2-CG 4.17Å; K218-W334 VanDerWaalsContact C-CZ3 3.46Å; K218-W334 WeakPolarHBondContact O-CH2 3.21Å; K218-W334 WeakPolarHBondContact O-CZ3 3.42Å
219	N	93.1	Very high	82	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	28%	0.281	C	S	.	.			trans	-57	126.1	177.8	-178.9	-23.8	0	0	0	110.6	W187 E221 G222 T224 Y323 T330 D331 W334	W187-N219 PolarHBondContact NE1-O 3.22Å; N219-E221 PolarHBondContact O-N 2.75Å; N219-E221 PolarHBondContact OD1-N 3.43Å; N219-E221 VanDerWaalsContact OD1-N 3.13Å; N219-G222 WeakPolarHBondContact CB-O 3.27Å; N219-G222 PolarHBondContact O-N 2.72Å; N219-T224 WeakPolarHBondContact ND2-CG2 3.24Å; N219-Y323 WeakPolarHBondContact OD1-CE2 3.43Å; N219-T330 WeakPolarHBondContact CB-O 3.49Å; N219-T330 PolarHBondContact ND2-O 2.9Å; N219-D331 WeakPolarHBondContact CB-O 3.28Å; N219-D331 PolarHBondContact N-O 2.83Å; N219-W334 VanDerWaalsContact CA-CE3 3.44Å; N219-W334 HydrophobicContact CB-CE3 3.93Å; N219-W334 HydrophobicContact CB-CZ3 4.45Å
220	P	89.8	Confident	83.6	Confident	72 Å²	72	41.1 Å²	41.1	47%	0.468	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-30.3	-173.7	23.2	-34.3	0	0	0	113.6	G222 Y323 W334	P220-G222 VanDerWaalsContact C-N 3.28Å; P220-G222 PolarHBondContact O-N 3.43Å; P220-Y323 HydrophobicContact CG-CD2 4.27Å; P220-W334 VanDerWaalsContact CD-CD2 3.42Å; P220-W334 HydrophobicContact CG-CD2 4.38Å; P220-W334 HydrophobicContact CG-CG 4.36Å
221	E	85.7	Confident	85.1	Confident	93 Å²	93	41.3 Å²	41.3	44%	0.435	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-9.6	177.6	-68.8	-53.2	131.2	0	0	113.8	N219 Y323	N219-E221 PolarHBondContact O-N 2.75Å; N219-E221 PolarHBondContact OD1-N 3.43Å; N219-E221 VanDerWaalsContact OD1-N 3.13Å; E221-Y323 HydrophobicContact CB-CD1 4.33Å; E221-Y323 HydrophobicContact CB-CD2 4.14Å; E221-Y323 HydrophobicContact CB-CE1 4.14Å; E221-Y323 HydrophobicContact CB-CE2 3.94Å; E221-Y323 HydrophobicContact CB-CG 4.29Å; E221-Y323 HydrophobicContact CG-CD1 3.23Å; E221-Y323 HydrophobicContact CG-CD2 3.46Å; E221-Y323 VanDerWaalsContact CG-CD2 3.46Å; E221-Y323 HydrophobicContact CG-CE1 3.49Å; E221-Y323 VanDerWaalsContact CG-CE1 3.49Å; E221-Y323 HydrophobicContact CG-CE2 3.7Å; E221-Y323 HydrophobicContact CG-CG 3.18Å
222	G	91.3	Very high	86.5	Confident	1 Å²	1	34.7 Å²	34.7	1%	0.01	21%	0.205	C	C	.	.			trans	109.4	-149.8	179.3	0	0	0	0	0	114.3	L185 N219 P220	L185-G222 CarbonylContact O-C 3.58Å; L185-G222 WeakPolarHBondContact O-CA 3.47Å; N219-G222 WeakPolarHBondContact CB-O 3.27Å; N219-G222 PolarHBondContact O-N 2.72Å; P220-G222 VanDerWaalsContact C-N 3.28Å; P220-G222 PolarHBondContact O-N 3.43Å
223	R	92.9	Very high	87.3	Confident	25 Å²	25	34.5 Å²	34.5	9%	0.094	20%	0.196	C	C	.	.			trans	-79.6	134.3	-174.7	-67.1	175.5	-169.6	86	-1.4	110.7	I180 L185 P186 W187 K189 F191 Y194	I180-R223 HydrophobicContact CG2-CB 4.42Å; L185-R223 WeakPolarHBondContact CD2-O 3.42Å; L185-R223 PolarHBondContact O-N 3.03Å; P186-R223 PolarHBondContact O-NH1 3.24Å; W187-R223 HydrophobicContact CE3-CG 4Å; W187-R223 HydrophobicContact CH2-CG 4Å; W187-R223 HydrophobicContact CZ2-CG 4.5Å; W187-R223 HydrophobicContact CZ3-CG 3.74Å; W187-R223 PolarHBondContact O-NH2 3.35Å; K189-R223 PolarHBondContact O-NH1 3.46Å; K189-R223 PolarHBondContact O-NH2 2.9Å; K189-R223 VanDerWaalsContact O-NH2 3.08Å; F191-R223 VanDerWaalsContact CE2-CD 3.46Å; Y194-R223 HydrophobicContact CD1-CG 4.24Å; Y194-R223 HydrophobicContact CE1-CB 4.19Å; Y194-R223 HydrophobicContact CE1-CG 3.61Å; Y194-R223 HydrophobicContact CE2-CB 4.22Å; Y194-R223 HydrophobicContact CE2-CG 4.3Å; Y194-R223 WeakPolarHBondContact OH-CB 3.43Å
224	T	90.5	Very high	87.8	Confident	25 Å²	25	34.2 Å²	34.2	15%	0.153	19%	0.192	C	C	.	.			trans	-110.3	-3.5	179.9	68.3	0	0	0	0	112.9	R177 N219 I226 T330 D331	R177-T224 PolarHBondContact NH1-O 2.92Å; N219-T224 WeakPolarHBondContact ND2-CG2 3.24Å; T224-I226 VanDerWaalsContact C-N 3.29Å; T224-I226 PolarHBondContact O-N 2.97Å; T224-I226 PolarHBondContact OG1-N 3.17Å; T224-I226 PolarHBondContact OG1-O 2.82Å; T224-I226 VanDerWaalsContact OG1-O 3.08Å; T224-T330 WeakPolarHBondContact CG2-O 3.23Å; T224-T330 VanDerWaalsContact OG1-CA 3.25Å; T224-T330 WeakPolarHBondContact OG1-CA 3.36Å; T224-D331 WeakPolarHBondContact CA-OD1 3.45Å; T224-D331 PolarHBondContact N-OD1 3.41Å; T224-D331 PolarHBondContact OG1-N 2.9Å; T224-D331 PolarHBondContact OG1-OD1 2.93Å
225	G	92.9	Very high	88.4	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.16	C	C	.	.	S	Bend	trans	79.8	5.1	-177	0	0	0	0	0	114.8	L178 Y194 P196	L178-G225 PolarHBondContact N-O 2.85Å; L178-G225 WeakPolarHBondContact O-CA 3.45Å; Y194-G225 WeakPolarHBondContact OH-CA 3.43Å; Y194-G225 PolarHBondContact OH-N 2.87Å; P196-G225 VanDerWaalsContact CB-C 3.49Å; P196-G225 WeakPolarHBondContact CB-O 3.31Å
226	I	92.7	Very high	88.9	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.143	C	C	.	.			trans	-142.4	142.2	173.2	-152.1	172	0	0	0	109.7	Y170 A175 R177 P197 V199 T224 T330 D331	Y170-I226 HydrophobicContact CD1-CD1 3.53Å; Y170-I226 HydrophobicContact CD2-CD1 3.48Å; Y170-I226 VanDerWaalsContact CD2-CD1 3.48Å; Y170-I226 HydrophobicContact CD2-CG2 4.14Å; Y170-I226 HydrophobicContact CE1-CD1 4.07Å; Y170-I226 HydrophobicContact CE2-CD1 3.99Å; Y170-I226 HydrophobicContact CE2-CG2 4Å; Y170-I226 HydrophobicContact CG-CD1 3.21Å; A175-I226 HydrophobicContact CB-CD1 4.37Å; R177-I226 HydrophobicContact CG-CB 4.32Å; P197-I226 HydrophobicContact CB-CG1 4.49Å; P197-I226 WeakPolarHBondContact O-CG1 3.08Å; V199-I226 HydrophobicContact CB-CD1 4.46Å; V199-I226 HydrophobicContact CG2-CD1 3.49Å; V199-I226 VanDerWaalsContact CG2-CD1 3.49Å; V199-I226 HydrophobicContact CG2-CG1 4Å; T224-I226 VanDerWaalsContact C-N 3.29Å; T224-I226 PolarHBondContact O-N 2.97Å; T224-I226 PolarHBondContact OG1-N 3.17Å; T224-I226 PolarHBondContact OG1-O 2.82Å; T224-I226 VanDerWaalsContact OG1-O 3.08Å; I226-T330 HydrophobicContact CG2-CG2 3.64Å; I226-D331 WeakPolarHBondContact O-CB 3.24Å; I226-D331 PolarHBondContact O-N 3.18Å; I226-D331 VanDerWaalsContact O-OD1 3.09Å
227	A	91.9	Very high	89.1	Confident	3 Å²	3	31.4 Å²	31.4	3%	0.025	16%	0.157	C	C	.	.	B	Isolated β-bridge	trans	-120	171.7	-180	0	0	0	0	0	112.5	P196 P197 V198 V199 L213 D331	P196-A227 HydrophobicContact CG-CB 3.69Å; P197-A227 PolarHBondContact O-N 2.93Å; V198-A227 CarbonylContact C-O 3.58Å; V198-A227 WeakPolarHBondContact CA-O 3.44Å; V198-A227 HydrophobicContact CG2-CB 4.36Å; V199-A227 PolarHBondContact N-O 3.12Å; L213-A227 HydrophobicContact CD2-CB 3.9Å; A227-D331 HydrophobicContact CB-CB 4.2Å
228	G	89.5	Confident	89	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.143	C	C	.	.	S	Bend	trans	93.9	179.7	-172.6	0	0	0	0	0	112.5	G230 T330 N332	G228-G230 VanDerWaalsContact C-N 3.3Å; G228-T330 VanDerWaalsContact O-CB 3.3Å; G228-T330 WeakPolarHBondContact O-CB 3.43Å; G228-T330 PolarHBondContact O-OG1 2.98Å; G228-N332 PolarHBondContact N-OD1 3.05Å
229	R	87.5	Confident	88.9	Confident	5 Å²	5	27.2 Å²	27.2	2%	0.019	13%	0.134	C	C	.	.	S	Bend	trans	-68	-33.7	173.9	179.7	176.4	62.2	102.1	-12.8	112	L201 E204 L232 M233 W235 A333	L201-R229 VanDerWaalsContact CB-NH2 3.27Å; L201-R229 VanDerWaalsContact CD1-NH1 3.33Å; E204-R229 VanDerWaalsContact CD-NE 3.33Å; E204-R229 IonicContact OE1-CZ 2.68Å; E204-R229 IonicContact OE1-NE 3.45Å; E204-R229 PolarHBondContact OE1-NE 2.91Å; E204-R229 IonicContact OE1-NH2 2.73Å; E204-R229 IonicContact OE2-CZ 2.92Å; E204-R229 IonicContact OE2-NE 3.54Å; E204-R229 PolarHBondContact OE2-NE 2.89Å; E204-R229 IonicContact OE2-NH2 3.78Å; E204-R229 PolarHBondContact OE2-NH2 3.39Å; R229-L232 WeakPolarHBondContact CD-O 3.21Å; R229-L232 VanDerWaalsContact CG-O 3.31Å; R229-L232 WeakPolarHBondContact CG-O 3.5Å; R229-L232 PolarHBondContact NH1-O 2.99Å; R229-M233 PolarHBondContact NH1-O 2.96Å; R229-W235 HydrophobicContact CB-CD2 3.96Å; R229-W235 HydrophobicContact CB-CE3 4.48Å; R229-W235 HydrophobicContact CB-CG 4.28Å; R229-W235 HydrophobicContact CB-CZ2 4.03Å; R229-A333 WeakPolarHBondContact O-CB 3.28Å
230	G	87.8	Confident	88.7	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.2	-144.6	-175.7	0	0	0	0	0	112.8	Y170 V199 G228 L232	Y170-G230 VanDerWaalsContact OH-CA 3.26Å; Y170-G230 WeakPolarHBondContact OH-CA 3.44Å; V199-G230 PolarHBondContact O-N 3.12Å; G228-G230 VanDerWaalsContact C-N 3.3Å; G230-L232 VanDerWaalsContact C-N 3.31Å
231	L	83.8	Confident	88.7	Confident	60 Å²	60	25 Å²	25	31%	0.314	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	0.5	-179.9	-62.7	177.6	0	0	0	113.9	Y170 N171 L201 Y328	Y170-L231 HydrophobicContact CE1-CD1 4.32Å; Y170-L231 HydrophobicContact CE1-CG 3.99Å; Y170-L231 PolarHBondContact OH-N 3.28Å; N171-L231 HydrophobicContact CB-CD1 3.94Å; L201-L231 HydrophobicContact CD2-CD2 4.04Å; L231-Y328 HydrophobicContact CB-CD1 4.42Å; L231-Y328 HydrophobicContact CB-CD2 4.08Å; L231-Y328 HydrophobicContact CB-CG 3.98Å; L231-Y328 HydrophobicContact CD1-CD1 3.78Å; L231-Y328 HydrophobicContact CD1-CD2 4.34Å; L231-Y328 HydrophobicContact CD1-CE1 3.72Å; L231-Y328 HydrophobicContact CD1-CE2 4.31Å; L231-Y328 HydrophobicContact CD1-CG 4.13Å
232	L	85.3	Confident	88.9	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.097	C	C	.	.	S	Bend	trans	-78.5	154.8	175.1	-65.2	-177.3	0	0	0	111.1	R229 G230 K234 A333 I335	R229-L232 WeakPolarHBondContact CD-O 3.21Å; R229-L232 VanDerWaalsContact CG-O 3.31Å; R229-L232 WeakPolarHBondContact CG-O 3.5Å; R229-L232 PolarHBondContact NH1-O 2.99Å; G230-L232 VanDerWaalsContact C-N 3.31Å; L232-K234 PolarHBondContact O-N 3.21Å; L232-A333 HydrophobicContact CB-CB 4.16Å; L232-A333 HydrophobicContact CD1-CB 3.81Å; L232-A333 WeakPolarHBondContact CD1-O 3.3Å; L232-I335 HydrophobicContact CD1-CG1 4.22Å; L232-I335 HydrophobicContact CD2-CD1 3.67Å; L232-I335 HydrophobicContact CD2-CG1 4.02Å
233	M	81.6	Confident	88.9	Confident	28 Å²	28	20.6 Å²	20.6	14%	0.138	10%	0.097	C	C	.	.	S	Bend	trans	-61.7	-40.5	-171.5	-63.6	-65	-146.9	0	0	113.7	R229 N238 Y274 I276 Q279 F282 I285	R229-M233 PolarHBondContact NH1-O 2.96Å; M233-N238 PolarHBondContact N-OD1 3.29Å; M233-Y274 HydrophobicContact CE-CD2 4.01Å; M233-Y274 HydrophobicContact CE-CE2 4.38Å; M233-Y274 HydrophobicContact CE-CG 4.32Å; M233-Y274 HydrophobicContact CG-CD1 3.78Å; M233-Y274 HydrophobicContact CG-CD2 4.3Å; M233-Y274 HydrophobicContact CG-CE1 3.84Å; M233-Y274 HydrophobicContact CG-CE2 4.37Å; M233-Y274 HydrophobicContact CG-CG 4Å; M233-I276 HydrophobicContact CB-CD1 3.33Å; M233-I276 HydrophobicContact CG-CD1 3.76Å; M233-Q279 PolarHBondContact O-OE1 2.86Å; M233-F282 HydrophobicContact CE-CB 4.39Å; M233-F282 HydrophobicContact CE-CD1 4.09Å; M233-F282 HydrophobicContact CE-CG 4.16Å; M233-F282 HydrophobicContact SD-CB 4.31Å; M233-F282 HydrophobicContact SD-CD1 3.57Å; M233-F282 VanDerWaalsContact SD-CD1 3.57Å; M233-F282 HydrophobicContact SD-CD2 3.59Å; M233-F282 VanDerWaalsContact SD-CD2 3.59Å; M233-F282 HydrophobicContact SD-CE1 3.59Å; M233-F282 VanDerWaalsContact SD-CE1 3.59Å; M233-F282 HydrophobicContact SD-CE2 3.62Å; M233-F282 HydrophobicContact SD-CG 3.56Å; M233-F282 VanDerWaalsContact SD-CG 3.56Å; M233-F282 HydrophobicContact SD-CZ 3.61Å; M233-I285 HydrophobicContact CE-CD1 3.78Å; M233-I285 HydrophobicContact CE-CG1 3.7Å; M233-I285 HydrophobicContact SD-CD1 4.38Å
234	K	84.1	Confident	88.7	Confident	63 Å²	63	19.4 Å²	19.4	27%	0.274	9%	0.092	S	C	.	.	S	Bend	trans	-142.5	164	-179.9	68	173.7	-174.3	178.3	0	113.7	L232 E237 N238 I276	L232-K234 PolarHBondContact O-N 3.21Å; K234-E237 WeakPolarHBondContact CE-O 3.22Å; K234-E237 PolarHBondContact NZ-O 2.94Å; K234-N238 PolarHBondContact N-OD1 3.4Å; K234-N238 PolarHBondContact O-ND2 3.33Å; K234-I276 HydrophobicContact CD-CG2 4Å
235	W	86.6	Confident	88.6	Confident	31 Å²	31	18.3 Å²	18.3	12%	0.117	9%	0.085	C	C	.	.	S	Bend	trans	-60.4	140.3	168.2	-66.3	86.3	0	0	0	111.2	F200 E204 G206 P207 L213 A216 P217 R229 N332	F200-W235 HydrophobicContact CD1-CH2 4.28Å; F200-W235 AromaticContact CD1-CZ2 3.92Å; F200-W235 HydrophobicContact CD1-CZ2 3.92Å; F200-W235 AromaticContact CE1-CH2 3.65Å; F200-W235 HydrophobicContact CE1-CH2 3.65Å; F200-W235 AromaticContact CE1-CZ2 3.64Å; F200-W235 HydrophobicContact CE1-CZ2 3.64Å; E204-W235 PolarHBondContact OE1-NE1 3.31Å; G206-W235 VanDerWaalsContact C-CZ2 3.5Å; P207-W235 HydrophobicContact CB-CD2 3.96Å; P207-W235 HydrophobicContact CB-CE3 4.26Å; P207-W235 HydrophobicContact CB-CG 4.22Å; L213-W235 HydrophobicContact CD1-CH2 3.96Å; L213-W235 HydrophobicContact CD1-CZ3 4.12Å; A216-W235 HydrophobicContact CB-CE3 3.86Å; A216-W235 HydrophobicContact CB-CZ3 3.6Å; P217-W235 HydrophobicContact CG-CB 4.36Å; R229-W235 HydrophobicContact CB-CD2 3.96Å; R229-W235 HydrophobicContact CB-CE3 4.48Å; R229-W235 HydrophobicContact CB-CG 4.28Å; R229-W235 HydrophobicContact CB-CZ2 4.03Å; W235-N332 HydrophobicContact CE3-CB 3.74Å; W235-N332 HydrophobicContact CZ3-CB 3.62Å
236	G	89.7	Confident	88.3	Confident	4 Å²	4	18.5 Å²	18.5	4%	0.041	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	76.7	-135.6	179	0	0	0	0	0	113.7	N238 N332 A333 W334	G236-N238 PolarHBondContact O-N 3.36Å; G236-N238 PolarHBondContact O-ND2 3.25Å; G236-N332 WeakPolarHBondContact CA-O 3.37Å; G236-N332 PolarHBondContact N-O 3.27Å; G236-A333 WeakPolarHBondContact O-CA 3.34Å; G236-W334 PolarHBondContact O-N 3.49Å
237	E	90.4	Very high	87.8	Confident	72 Å²	72	22.1 Å²	22.1	34%	0.336	10%	0.102	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	112.2	-170.8	-165.2	-163.2	176.9	0	0	112.6	K234 K239 W334 T336	K234-E237 WeakPolarHBondContact CE-O 3.22Å; K234-E237 PolarHBondContact NZ-O 2.94Å; E237-K239 HydrophobicContact CG-CG 4.33Å; E237-K239 WeakPolarHBondContact OE1-CE 3.16Å; E237-K239 WeakPolarHBondContact OE2-CE 3.17Å; E237-K239 IonicContact OE2-NZ 3.01Å; E237-W334 HydrophobicContact CB-CZ2 4.21Å; E237-T336 HydrophobicContact CG-CG2 3.45Å; E237-T336 VanDerWaalsContact CG-CG2 3.45Å; E237-T336 WeakPolarHBondContact CG-OG1 3.44Å; E237-T336 WeakPolarHBondContact OE1-CB 3.16Å; E237-T336 VanDerWaalsContact OE1-CG2 3.25Å; E237-T336 WeakPolarHBondContact OE1-CG2 3.46Å; E237-T336 PolarHBondContact OE1-OG1 3.37Å
238	N	89.7	Confident	86.7	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	101	173.2	-68.5	-99.5	0	0	0	109.5	M233 K234 G236 Y274 W334 I335 T336	M233-N238 PolarHBondContact N-OD1 3.29Å; K234-N238 PolarHBondContact N-OD1 3.4Å; K234-N238 PolarHBondContact O-ND2 3.33Å; G236-N238 PolarHBondContact O-N 3.36Å; G236-N238 PolarHBondContact O-ND2 3.25Å; N238-Y274 HydrophobicContact CB-CE1 4.18Å; N238-W334 WeakPolarHBondContact CB-O 3.36Å; N238-W334 PolarHBondContact N-O 3.2Å; N238-W334 PolarHBondContact ND2-O 2.94Å; N238-I335 HydrophobicContact CB-CG1 4.05Å; N238-I335 VanDerWaalsContact O-CA 3.3Å; N238-I335 WeakPolarHBondContact O-CA 3.18Å; N238-T336 PolarHBondContact O-N 3.5Å
239	K	89.7	Confident	85.1	Confident	89 Å²	89	24.9 Å²	24.9	39%	0.387	12%	0.122	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	125.4	-179.7	-69.6	178.6	-179	-178.3	0	110.5	E237 N275 T336	E237-K239 HydrophobicContact CG-CG 4.33Å; E237-K239 WeakPolarHBondContact OE1-CE 3.16Å; E237-K239 WeakPolarHBondContact OE2-CE 3.17Å; E237-K239 IonicContact OE2-NZ 3.01Å; K239-N275 HydrophobicContact CB-CB 4.38Å; K239-N275 PolarHBondContact O-N 3.29Å; K239-T336 CarbonylContact C-O 3.59Å; K239-T336 WeakPolarHBondContact CA-O 3.27Å; K239-T336 WeakPolarHBondContact CG-OG1 3.47Å
240	V	88.9	Confident	83.4	Confident	0 Å²	0	36 Å²	36	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	147.6	175.5	-58.5	0	0	0	0	111.1	I242 M272 F273 Y274 I335 T336 A337 N338	V240-I242 HydrophobicContact CG2-CD1 4.2Å; V240-I242 HydrophobicContact CG2-CG1 4.26Å; V240-M272 HydrophobicContact CB-CE 4.21Å; V240-M272 HydrophobicContact CG1-CE 4.01Å; V240-M272 HydrophobicContact CG2-CE 3.94Å; V240-F273 CarbonylContact C-O 3.57Å; V240-F273 VanDerWaalsContact CA-O 3.26Å; V240-F273 WeakPolarHBondContact CA-O 3.47Å; V240-Y274 HydrophobicContact CG1-CD1 3.66Å; V240-Y274 HydrophobicContact CG1-CE1 3.63Å; V240-Y274 HydrophobicContact CG1-CG 4.19Å; V240-I335 HydrophobicContact CB-CG2 4.29Å; V240-I335 HydrophobicContact CG1-CG2 3.92Å; V240-I335 HydrophobicContact CG2-CG2 3.42Å; V240-I335 VanDerWaalsContact CG2-CG2 3.42Å; V240-T336 WeakPolarHBondContact CG2-O 3.47Å; V240-T336 PolarHBondContact N-O 2.88Å; V240-A337 HydrophobicContact CG2-CB 3.68Å; V240-A337 CarbonylContact O-C 3.6Å; V240-A337 WeakPolarHBondContact O-CA 3.39Å; V240-N338 PolarHBondContact O-N 3.42Å
241	E	90.4	Very high	81.8	Confident	26 Å²	26	41.4 Å²	41.4	12%	0.121	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	127.9	175.7	-61.9	-175.2	170	0	0	109	F273 N275 M288 N338 I340	E241-F273 PolarHBondContact N-O 3.35Å; E241-F273 PolarHBondContact O-N 2.66Å; E241-N275 HydrophobicContact CG-CB 4.37Å; E241-N275 PolarHBondContact OE1-ND2 3.19Å; E241-M288 HydrophobicContact CB-CE 4.42Å; E241-M288 HydrophobicContact CB-SD 4.16Å; E241-M288 WeakPolarHBondContact OE2-CE 3.25Å; E241-N338 HydrophobicContact CG-CB 4.37Å; E241-I340 HydrophobicContact CB-CD1 4.13Å; E241-I340 HydrophobicContact CG-CD1 4.44Å
242	I	89.5	Confident	80.8	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	95.6	-172.9	-51	-176.3	0	0	0	108.1	F32 L36 V240 L270 M272 A337 N338 I339 I340	F32-I242 HydrophobicContact CE1-CD1 4.04Å; F32-I242 HydrophobicContact CE1-CG2 4.44Å; F32-I242 HydrophobicContact CZ-CG2 4.06Å; L36-I242 HydrophobicContact CD1-CD1 3.59Å; V240-I242 HydrophobicContact CG2-CD1 4.2Å; V240-I242 HydrophobicContact CG2-CG1 4.26Å; I242-L270 HydrophobicContact CG2-CB 3.95Å; I242-L270 HydrophobicContact CG2-CD1 3.88Å; I242-M272 HydrophobicContact CD1-CG 3.96Å; I242-M272 HydrophobicContact CD1-SD 4.45Å; I242-M272 HydrophobicContact CG1-CG 4.02Å; I242-A337 HydrophobicContact CD1-CB 4.05Å; I242-N338 PolarHBondContact N-O 2.83Å; I242-I339 WeakPolarHBondContact O-CA 3.44Å; I242-I340 PolarHBondContact O-N 3.29Å
243	P	90.7	Very high	80.3	Confident	2 Å²	2	44.1 Å²	44.1	1%	0.013	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	132.1	-180	30	-32.8	0	0	0	111.6	I245 P271 F273 M288 Y292 F313 I340	P243-I245 HydrophobicContact CB-CG1 4.45Å; P243-P271 HydrophobicContact CG-CG 3.98Å; P243-F273 HydrophobicContact CG-CD2 4.2Å; P243-F273 HydrophobicContact CG-CE2 3.86Å; P243-M288 HydrophobicContact CB-SD 4.04Å; P243-M288 HydrophobicContact CG-CG 4.46Å; P243-M288 HydrophobicContact CG-SD 3.85Å; P243-Y292 HydrophobicContact CB-CE2 4.43Å; P243-Y292 HydrophobicContact CG-CE2 3.79Å; P243-Y292 WeakPolarHBondContact CG-OH 3.5Å; P243-F313 HydrophobicContact CB-CE1 4.44Å; P243-I340 CarbonylContact C-O 3.58Å; P243-I340 WeakPolarHBondContact CA-O 3.16Å
244	I	89.1	Confident	80.3	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	101.7	168.4	-57.1	178.7	0	0	0	106.9	F32 I246 V255 L270 I339 I340 V341 I342 I374 I377 V381	F32-I244 HydrophobicContact CE2-CD1 4.11Å; F32-I244 HydrophobicContact CZ-CD1 4.42Å; I244-I246 HydrophobicContact CG2-CD1 4.15Å; I244-I246 HydrophobicContact CG2-CG1 4.04Å; I244-V255 HydrophobicContact CG2-CG2 4.1Å; I244-L270 HydrophobicContact CD1-CD1 3.99Å; I244-L270 HydrophobicContact CG1-CD1 3.64Å; I244-L270 HydrophobicContact CG1-CD2 4.45Å; I244-I339 HydrophobicContact CD1-CG2 3.7Å; I244-I339 HydrophobicContact CG1-CG2 4.24Å; I244-I340 PolarHBondContact N-O 2.81Å; I244-V341 HydrophobicContact CB-CG2 4.28Å; I244-V341 HydrophobicContact CD1-CG2 4.4Å; I244-V341 WeakPolarHBondContact O-CA 3.19Å; I244-I342 PolarHBondContact O-N 3.34Å; I244-I374 HydrophobicContact CG2-CG2 4.5Å; I244-I377 HydrophobicContact CD1-CD1 4.37Å; I244-V381 HydrophobicContact CD1-CG2 4.19Å
245	I	89.4	Confident	80.4	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	120	-176.5	-59.6	159.2	0	0	0	108.7	P243 V255 L256 Y292 I342 T344 F350 W366	P243-I245 HydrophobicContact CB-CG1 4.45Å; I245-V255 WeakPolarHBondContact O-CA 3.16Å; I245-L256 HydrophobicContact CB-CB 4.06Å; I245-L256 HydrophobicContact CD1-CD2 3.82Å; I245-L256 PolarHBondContact O-N 3.12Å; I245-Y292 HydrophobicContact CD1-CD1 4Å; I245-Y292 HydrophobicContact CD1-CE1 3.27Å; I245-Y292 HydrophobicContact CD1-CE2 4.4Å; I245-I342 HydrophobicContact CG1-CB 4.43Å; I245-I342 HydrophobicContact CG1-CD1 4.44Å; I245-T344 HydrophobicContact CG2-CG2 3.63Å; I245-F350 HydrophobicContact CD1-CD1 3.53Å; I245-F350 HydrophobicContact CD1-CE1 3.61Å; I245-F350 HydrophobicContact CG1-CD1 3.98Å; I245-F350 HydrophobicContact CG1-CE1 4.09Å; I245-F350 HydrophobicContact CG2-CB 3.86Å; I245-F350 HydrophobicContact CG2-CD1 4Å; I245-F350 HydrophobicContact CG2-CG 4Å; I245-W366 HydrophobicContact CG2-CH2 3.84Å; I245-W366 HydrophobicContact CG2-CZ3 4.44Å
246	I	86.2	Confident	80.6	Confident	5 Å²	5	40 Å²	40	3%	0.026	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	118.9	-174.3	-56.9	172.8	0	0	0	109.3	I244 E254 V255 V341 I342 A343 T344 V381 L385	I244-I246 HydrophobicContact CG2-CD1 4.15Å; I244-I246 HydrophobicContact CG2-CG1 4.04Å; I246-E254 CarbonylContact C-O 3.56Å; I246-E254 WeakPolarHBondContact CA-O 3.5Å; I246-V255 HydrophobicContact CG1-CG2 4.42Å; I246-V341 HydrophobicContact CD1-CG1 4.01Å; I246-I342 PolarHBondContact N-O 3.42Å; I246-A343 WeakPolarHBondContact O-CA 3.24Å; I246-T344 PolarHBondContact O-N 2.95Å; I246-V381 HydrophobicContact CD1-CG1 3.32Å; I246-L385 HydrophobicContact CD1-CD1 4.14Å
247	K	81.1	Confident	80.5	Confident	76 Å²	76	39.8 Å²	39.8	33%	0.33	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	106.2	169.9	-175.7	174	-172.2	170.8	0	109	A253 E254 T344 W366	K247-A253 WeakPolarHBondContact O-CA 3.28Å; K247-E254 HydrophobicContact CB-CB 4.4Å; K247-E254 PolarHBondContact N-O 3.45Å; K247-E254 PolarHBondContact O-N 3.47Å; K247-T344 WeakPolarHBondContact CA-OG1 3.37Å; K247-T344 HydrophobicContact CB-CG2 4.26Å; K247-W366 HydrophobicContact CB-CE3 3.95Å; K247-W366 HydrophobicContact CB-CH2 3.72Å; K247-W366 HydrophobicContact CB-CZ2 4.4Å; K247-W366 HydrophobicContact CB-CZ3 3.47Å; K247-W366 VanDerWaalsContact CB-CZ3 3.47Å; K247-W366 HydrophobicContact CD-CZ2 4.41Å
248	A	68.7	Low	80.2	Confident	15 Å²	15	38.3 Å²	38.3	12%	0.124	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	146.7	178.4	0	0	0	0	0	111.4	A7 C345	A7-A248 HydrophobicContact CB-CB 3.87Å; A248-C345 PolarHBondContact O-SG 3.17Å; A248-C345 VanDerWaalsContact O-SG 3.33Å
249	S	57.6	Low	79.4	Confident	46 Å²	46	38.9 Å²	38.9	32%	0.322	19%	0.187	S	C	.	.			trans	-141	173.5	171.2	69.8	0	0	0	0	109	T8 T251 K252	T8-S249 WeakPolarHBondContact CG2-O 3.29Å; S249-T251 PolarHBondContact O-N 3.37Å; S249-K252 PolarHBondContact N-O 3.3Å; S249-K252 WeakPolarHBondContact OG-CG 3.43Å; S249-K252 PolarHBondContact OG-N 3.09Å; S249-K252 VanDerWaalsContact OG-N 3.08Å; S249-K252 PolarHBondContact OG-O 3.46Å
250	R	51	Low	78.2	Confident	239 Å²	239	43.3 Å²	43.3	90%	0.902	20%	0.202	S	C	*	.	S	Bend	trans	-52.1	-30.9	179	-73	-172.9	179	175	1	114.3
251	T	54.7	Low	77.1	Confident	113 Å²	113	45.7 Å²	45.7	69%	0.693	21%	0.211	S	C	*	.	S	Bend	trans	-118.7	-24.3	-172.2	56.1	0	0	0	0	113.9	Q4 S249	Q4-T251 PolarHBondContact NE2-O 3.15Å; S249-T251 PolarHBondContact O-N 3.37Å
252	K	62	Low	75.4	Confident	100 Å²	100	46.8 Å²	46.8	44%	0.435	22%	0.218	S	C	.	.			trans	-136.3	147.1	-174.2	58.9	172.7	-167.2	155.1	0	112.4	S249 E254	S249-K252 PolarHBondContact N-O 3.3Å; S249-K252 WeakPolarHBondContact OG-CG 3.43Å; S249-K252 PolarHBondContact OG-N 3.09Å; S249-K252 VanDerWaalsContact OG-N 3.08Å; S249-K252 PolarHBondContact OG-O 3.46Å; K252-E254 IonicContact NZ-OE1 3.57Å; K252-E254 PolarHBondContact NZ-OE1 3.42Å; K252-E254 IonicContact NZ-OE2 2.8Å; K252-E254 PolarHBondContact NZ-OE2 3.44Å
253	A	74.8	Confident	73.7	Confident	17 Å²	17	51.1 Å²	51.1	14%	0.14	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	129.4	168	0	0	0	0	0	108.1	K247 F369	K247-A253 WeakPolarHBondContact O-CA 3.28Å; A253-F369 HydrophobicContact CB-CB 3.99Å; A253-F369 WeakPolarHBondContact O-CB 3.26Å; A253-F369 PolarHBondContact O-N 3.31Å
254	E	82.2	Confident	71.5	Confident	30 Å²	30	57.3 Å²	57.3	14%	0.14	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	148	177.9	-69.2	162.9	171.7	0	0	108.2	I246 K247 K252 W366 E367	I246-E254 CarbonylContact C-O 3.56Å; I246-E254 WeakPolarHBondContact CA-O 3.5Å; K247-E254 HydrophobicContact CB-CB 4.4Å; K247-E254 PolarHBondContact N-O 3.45Å; K247-E254 PolarHBondContact O-N 3.47Å; K252-E254 IonicContact NZ-OE1 3.57Å; K252-E254 PolarHBondContact NZ-OE1 3.42Å; K252-E254 IonicContact NZ-OE2 2.8Å; K252-E254 PolarHBondContact NZ-OE2 3.44Å; E254-W366 HydrophobicContact CB-CB 4.41Å; E254-W366 HydrophobicContact CB-CE3 4.02Å; E254-E367 CarbonylContact C-O 3.42Å; E254-E367 WeakPolarHBondContact CA-O 3.34Å
255	V	86.9	Confident	69.6	Low	0 Å²	0	64.3 Å²	64.3	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	141.8	177.7	59.1	0	0	0	0	109.2	I244 I245 I246 M257 E367 S372 I374	I244-V255 HydrophobicContact CG2-CG2 4.1Å; I245-V255 WeakPolarHBondContact O-CA 3.16Å; I246-V255 HydrophobicContact CG1-CG2 4.42Å; V255-M257 HydrophobicContact CB-SD 4.41Å; V255-M257 HydrophobicContact CG1-CG 3.8Å; V255-M257 HydrophobicContact CG1-SD 3.74Å; V255-M257 HydrophobicContact CG2-SD 3.87Å; V255-M257 PolarHBondContact O-N 2.76Å; V255-E367 PolarHBondContact N-O 2.93Å; V255-E367 PolarHBondContact O-N 2.67Å; V255-S372 WeakPolarHBondContact CG1-OG 3.14Å; V255-I374 HydrophobicContact CG1-CB 4.42Å; V255-I374 HydrophobicContact CG1-CG1 4.39Å; V255-I374 HydrophobicContact CG2-CG1 4.15Å
256	L	90.7	Very high	67.9	Low	5 Å²	5	65.2 Å²	65.2	3%	0.026	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	112.4	177.5	-168	69.6	0	0	0	109.5	I245 Y292 L353 L355 Y364 W366	I245-L256 HydrophobicContact CB-CB 4.06Å; I245-L256 HydrophobicContact CD1-CD2 3.82Å; I245-L256 PolarHBondContact O-N 3.12Å; L256-Y292 HydrophobicContact CD2-CE1 3.9Å; L256-L353 HydrophobicContact CD2-CD1 3.87Å; L256-L355 HydrophobicContact CD1-CD1 3.87Å; L256-L355 HydrophobicContact CD1-CD2 3.89Å; L256-Y364 HydrophobicContact CD1-CG 4.48Å; L256-Y364 HydrophobicContact CD2-CD1 4.46Å; L256-Y364 HydrophobicContact CD2-CG 4.3Å; L256-Y364 HydrophobicContact CG-CD1 4.18Å; L256-Y364 HydrophobicContact CG-CG 4.17Å; L256-W366 HydrophobicContact CB-CE3 4.14Å; L256-W366 HydrophobicContact CB-CH2 4.08Å; L256-W366 HydrophobicContact CB-CZ3 3.86Å; L256-W366 HydrophobicContact CD1-CD2 4.04Å; L256-W366 HydrophobicContact CD1-CE3 4.41Å; L256-W366 HydrophobicContact CD1-CG 4.45Å; L256-W366 HydrophobicContact CD1-CZ2 4.14Å
257	M	87.1	Confident	66.7	Low	0 Å²	0	68.3 Å²	68.3	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	151.3	-174.9	-60.5	-56.5	-66.4	0	0	110.9	V255 G259 P269 L270 Y364 R365 E367 D373 I374	V255-M257 HydrophobicContact CB-SD 4.41Å; V255-M257 HydrophobicContact CG1-CG 3.8Å; V255-M257 HydrophobicContact CG1-SD 3.74Å; V255-M257 HydrophobicContact CG2-SD 3.87Å; V255-M257 PolarHBondContact O-N 2.76Å; M257-G259 PolarHBondContact O-N 3Å; M257-P269 HydrophobicContact CE-CB 3.64Å; M257-L270 HydrophobicContact CE-CD2 4.41Å; M257-L270 HydrophobicContact SD-CD2 4.12Å; M257-Y364 CarbonylContact O-C 3.52Å; M257-Y364 WeakPolarHBondContact O-CA 3.4Å; M257-R365 PolarHBondContact N-O 3.27Å; M257-R365 PolarHBondContact O-N 3.25Å; M257-E367 HydrophobicContact CB-CG 4.06Å; M257-E367 HydrophobicContact CG-CB 3.97Å; M257-E367 HydrophobicContact CG-CG 3.93Å; M257-D373 HydrophobicContact CE-CB 4.34Å; M257-I374 HydrophobicContact CE-CD1 4.18Å; M257-I374 HydrophobicContact CE-CG1 3.62Å; M257-I374 HydrophobicContact SD-CD1 4.2Å; M257-I374 HydrophobicContact SD-CG1 3.34Å; M257-I374 WeakPolarHBondContact SD-CG1 3.24Å
258	R	83.3	Confident	66.2	Low	41 Å²	41	65 Å²	65	16%	0.155	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	131	168.7	-66.7	-175.3	59.4	-171.8	2	110	Y261 S268 P269 F362 Y364	R258-Y261 HydrophobicContact CB-CD1 4.21Å; R258-S268 WeakPolarHBondContact CD-O 3.12Å; R258-S268 PolarHBondContact NH1-O 3.45Å; R258-P269 WeakPolarHBondContact CB-O 3.36Å; R258-P269 WeakPolarHBondContact CG-O 3.45Å; R258-P269 PolarHBondContact N-O 2.83Å; R258-P269 VanDerWaalsContact N-O 3.12Å; R258-F362 HydrophobicContact CG-CB 3.99Å; R258-Y364 HydrophobicContact CG-CD1 4.23Å; R258-Y364 HydrophobicContact CG-CE1 3.95Å
259	G	73.1	Confident	66.6	Low	11 Å²	11	64.2 Å²	64.2	11%	0.113	30%	0.3	C	S	.	.	S	Bend	trans	-74.9	-26.1	-177.1	0	0	0	0	0	113.7	M257 F362 Q363 R365	M257-G259 PolarHBondContact O-N 3Å; G259-F362 PolarHBondContact N-O 3.38Å; G259-Q363 WeakPolarHBondContact CA-O 3.06Å; G259-Q363 PolarHBondContact N-O 2.91Å; G259-R365 PolarHBondContact O-NH1 3.31Å
260	R	65.8	Low	67.9	Low	183 Å²	183	62 Å²	62	69%	0.691	28%	0.284	S	S	*	.			trans	-134	123.6	170.3	-64.3	-173.2	-158.1	-164.9	2.8	109.2	Q363	R260-Q363 VanDerWaalsContact CG-OE1 3.29Å
261	Y	64.2	Low	69.4	Low	49 Å²	49	50.8 Å²	50.8	19%	0.192	24%	0.242	C	C	.	.			trans	-146.6	137.8	166.3	59.9	-77.6	0	0	0	107.3	R258 K263 E267 P269 D373	R258-Y261 HydrophobicContact CB-CD1 4.21Å; Y261-K263 HydrophobicContact CD2-CG 3.93Å; Y261-K263 HydrophobicContact CE2-CD 4.22Å; Y261-K263 HydrophobicContact CE2-CG 3.62Å; Y261-E267 VanDerWaalsContact CA-OE2 3.23Å; Y261-E267 WeakPolarHBondContact CA-OE2 3.35Å; Y261-E267 WeakPolarHBondContact CD2-O 3.39Å; Y261-P269 HydrophobicContact CD1-CB 4.19Å; Y261-P269 HydrophobicContact CD2-CB 3.98Å; Y261-P269 HydrophobicContact CE1-CB 3.88Å; Y261-P269 HydrophobicContact CE2-CB 3.6Å; Y261-P269 HydrophobicContact CE2-CG 4.24Å; Y261-P269 HydrophobicContact CG-CB 4.27Å; Y261-D373 VanDerWaalsContact OH-CG 3.31Å; Y261-D373 PolarHBondContact OH-OD2 2.87Å
262	D	54.6	Low	70.8	Confident	50 Å²	50	46.8 Å²	46.8	27%	0.267	22%	0.216	S	C	.	.			trans	-96.3	100.3	175.7	-169.3	-14.6	0	0	0	109.8	E264 K265 G266 E267	D262-E264 PolarHBondContact O-N 2.68Å; D262-E264 WeakPolarHBondContact OD1-CB 3.24Å; D262-E264 PolarHBondContact OD1-N 3.25Å; D262-K265 HydrophobicContact CB-CB 4.05Å; D262-K265 HydrophobicContact CB-CD 4.1Å; D262-K265 HydrophobicContact CB-CG 4.18Å; D262-K265 PolarHBondContact O-N 2.71Å; D262-K265 PolarHBondContact OD1-N 3.07Å; D262-K265 WeakPolarHBondContact OD2-CD 3.34Å; D262-K265 WeakPolarHBondContact OD2-CE 3.32Å; D262-K265 WeakPolarHBondContact OD2-CG 3.38Å; D262-K265 IonicContact OD2-NZ 3.42Å; D262-K265 PolarHBondContact OD2-NZ 3.16Å; D262-G266 PolarHBondContact O-N 3.47Å; D262-E267 HydrophobicContact CB-CG 4.45Å; D262-E267 PolarHBondContact N-OE2 3.08Å; D262-E267 WeakPolarHBondContact O-CB 3.37Å; D262-E267 PolarHBondContact O-N 3.06Å
263	K	55	Low	72.1	Confident	91 Å²	91	42.5 Å²	42.5	40%	0.396	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-56.6	-33.3	176.8	-72.4	-173	-177.1	-179.9	0	111.9	P38 Y261 K265 G266 D373	P38-K263 HydrophobicContact CG-CB 4.03Å; P38-K263 HydrophobicContact CG-CG 4.46Å; Y261-K263 HydrophobicContact CD2-CG 3.93Å; Y261-K263 HydrophobicContact CE2-CD 4.22Å; Y261-K263 HydrophobicContact CE2-CG 3.62Å; K263-K265 VanDerWaalsContact C-N 3.29Å; K263-K265 PolarHBondContact O-N 2.81Å; K263-G266 PolarHBondContact O-N 3.35Å; K263-G266 VanDerWaalsContact O-N 3.16Å; K263-D373 WeakPolarHBondContact CE-OD2 3.26Å; K263-D373 IonicContact NZ-OD1 2.84Å; K263-D373 PolarHBondContact NZ-OD1 2.82Å; K263-D373 IonicContact NZ-OD2 3.79Å; K263-D373 PolarHBondContact NZ-OD2 2.98Å
264	E	44.7	Very low	72.5	Confident	131 Å²	131	44.2 Å²	44.2	61%	0.612	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-72.8	-24	-179.3	-58.9	-175.6	172.2	0	0	111.6	D262 G266	D262-E264 PolarHBondContact O-N 2.68Å; D262-E264 WeakPolarHBondContact OD1-CB 3.24Å; D262-E264 PolarHBondContact OD1-N 3.25Å; E264-G266 VanDerWaalsContact C-N 3.3Å
265	K	48.3	Very low	72.4	Confident	148 Å²	148	47.1 Å²	47.1	64%	0.643	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-90.8	9.5	171.6	-66.2	177.3	-173	155	0	113.4	D262 K263 E267	D262-K265 HydrophobicContact CB-CB 4.05Å; D262-K265 HydrophobicContact CB-CD 4.1Å; D262-K265 HydrophobicContact CB-CG 4.18Å; D262-K265 PolarHBondContact O-N 2.71Å; D262-K265 PolarHBondContact OD1-N 3.07Å; D262-K265 WeakPolarHBondContact OD2-CD 3.34Å; D262-K265 WeakPolarHBondContact OD2-CE 3.32Å; D262-K265 WeakPolarHBondContact OD2-CG 3.38Å; D262-K265 IonicContact OD2-NZ 3.42Å; D262-K265 PolarHBondContact OD2-NZ 3.16Å; K263-K265 VanDerWaalsContact C-N 3.29Å; K263-K265 PolarHBondContact O-N 2.81Å; K265-E267 VanDerWaalsContact C-N 3.26Å; K265-E267 HydrophobicContact CB-CG 4.4Å; K265-E267 PolarHBondContact O-N 2.93Å
266	G	53.3	Low	71.6	Confident	19 Å²	19	47.8 Å²	47.8	20%	0.196	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.3	24.1	-174.8	0	0	0	0	0	113.5	Y37 D262 K263 E264 S268	Y37-G266 WeakPolarHBondContact CD1-O 3.49Å; Y37-G266 WeakPolarHBondContact CE1-O 3.48Å; D262-G266 PolarHBondContact O-N 3.47Å; K263-G266 PolarHBondContact O-N 3.35Å; K263-G266 VanDerWaalsContact O-N 3.16Å; E264-G266 VanDerWaalsContact C-N 3.3Å; G266-S268 PolarHBondContact O-N 2.81Å
267	E	60.7	Low	70.3	Confident	71 Å²	71	52.4 Å²	52.4	33%	0.332	25%	0.25	S	S	.	.			trans	-77.4	126.3	174	-63.3	-176.6	178.3	0	0	110.5	Y261 D262 K265	Y261-E267 VanDerWaalsContact CA-OE2 3.23Å; Y261-E267 WeakPolarHBondContact CA-OE2 3.35Å; Y261-E267 WeakPolarHBondContact CD2-O 3.39Å; D262-E267 HydrophobicContact CB-CG 4.45Å; D262-E267 PolarHBondContact N-OE2 3.08Å; D262-E267 WeakPolarHBondContact O-CB 3.37Å; D262-E267 PolarHBondContact O-N 3.06Å; K265-E267 VanDerWaalsContact C-N 3.26Å; K265-E267 HydrophobicContact CB-CG 4.4Å; K265-E267 PolarHBondContact O-N 2.93Å
268	S	72.3	Confident	69	Low	5 Å²	5	59.9 Å²	59.9	4%	0.035	28%	0.283	C	S	.	.			trans	-73.5	139.2	179	164.4	0	0	0	0	112.5	L36 R258 G266 L270	L36-S268 WeakPolarHBondContact CD2-OG 3.41Å; L36-S268 VanDerWaalsContact O-CA 3.25Å; L36-S268 WeakPolarHBondContact O-CA 3.36Å; L36-S268 WeakPolarHBondContact O-CB 3.3Å; R258-S268 WeakPolarHBondContact CD-O 3.12Å; R258-S268 PolarHBondContact NH1-O 3.45Å; G266-S268 PolarHBondContact O-N 2.81Å; S268-L270 VanDerWaalsContact CB-O 3.3Å; S268-L270 WeakPolarHBondContact CB-O 3.49Å; S268-L270 PolarHBondContact O-N 3.34Å; S268-L270 PolarHBondContact OG-N 3.11Å; S268-L270 VanDerWaalsContact OG-N 3.08Å; S268-L270 PolarHBondContact OG-O 3.29Å
269	P	76.4	Confident	67.8	Low	0 Å²	0	61.5 Å²	61.5	0%	0	29%	0.292	C	S	.	.	S	Bend	trans	-65.6	-20.7	171.7	26.7	-34.6	0	0	0	113.6	F35 M257 R258 Y261	F35-P269 HydrophobicContact CD1-CG 4.23Å; F35-P269 HydrophobicContact CE1-CG 3.45Å; F35-P269 VanDerWaalsContact CE1-CG 3.45Å; F35-P269 HydrophobicContact CE2-CG 4.09Å; F35-P269 HydrophobicContact CZ-CB 4.26Å; F35-P269 HydrophobicContact CZ-CG 3.37Å; M257-P269 HydrophobicContact CE-CB 3.64Å; R258-P269 WeakPolarHBondContact CB-O 3.36Å; R258-P269 WeakPolarHBondContact CG-O 3.45Å; R258-P269 PolarHBondContact N-O 2.83Å; R258-P269 VanDerWaalsContact N-O 3.12Å; Y261-P269 HydrophobicContact CD1-CB 4.19Å; Y261-P269 HydrophobicContact CD2-CB 3.98Å; Y261-P269 HydrophobicContact CE1-CB 3.88Å; Y261-P269 HydrophobicContact CE2-CB 3.6Å; Y261-P269 HydrophobicContact CE2-CG 4.24Å; Y261-P269 HydrophobicContact CG-CB 4.27Å
270	L	84.6	Confident	66.8	Low	0 Å²	0	70.3 Å²	70.3	0%	0	33%	0.33	C	S	.	.	S	Bend	trans	-106.3	145	173.1	-65.2	177.3	0	0	0	110.6	F32 F35 L36 I242 I244 M257 S268 I374	F32-L270 HydrophobicContact CE2-CD1 4.2Å; F32-L270 HydrophobicContact CZ-CD1 4.03Å; F35-L270 HydrophobicContact CE1-CD1 4.37Å; F35-L270 HydrophobicContact CE1-CG 4.45Å; L36-L270 HydrophobicContact CD2-CB 3.93Å; L36-L270 HydrophobicContact CD2-CD1 4.04Å; L36-L270 HydrophobicContact CD2-CG 4.24Å; I242-L270 HydrophobicContact CG2-CB 3.95Å; I242-L270 HydrophobicContact CG2-CD1 3.88Å; I244-L270 HydrophobicContact CD1-CD1 3.99Å; I244-L270 HydrophobicContact CG1-CD1 3.64Å; I244-L270 HydrophobicContact CG1-CD2 4.45Å; M257-L270 HydrophobicContact CE-CD2 4.41Å; M257-L270 HydrophobicContact SD-CD2 4.12Å; S268-L270 VanDerWaalsContact CB-O 3.3Å; S268-L270 WeakPolarHBondContact CB-O 3.49Å; S268-L270 PolarHBondContact O-N 3.34Å; S268-L270 PolarHBondContact OG-N 3.11Å; S268-L270 VanDerWaalsContact OG-N 3.08Å; S268-L270 PolarHBondContact OG-O 3.29Å; L270-I374 HydrophobicContact CD1-CD1 3.57Å; L270-I374 HydrophobicContact CD2-CD1 3.74Å; L270-I374 HydrophobicContact CD2-CG1 4.4Å; L270-I374 HydrophobicContact CG-CD1 3.74Å
271	P	83.2	Confident	66.5	Low	2 Å²	2	67 Å²	67	1%	0.013	33%	0.326	C	S	.	.			trans	-71	146.2	174.7	34.3	-37.8	0	0	0	110.7	P243 F273 F362 Y364	P243-P271 HydrophobicContact CG-CG 3.98Å; P271-F273 HydrophobicContact CB-CD2 4.39Å; P271-F273 HydrophobicContact CB-CE2 3.6Å; P271-F273 HydrophobicContact CB-CZ 3.92Å; P271-F273 HydrophobicContact CG-CE2 3.69Å; P271-F273 HydrophobicContact CG-CZ 4.29Å; P271-F362 HydrophobicContact CB-CD2 4.38Å; P271-F362 HydrophobicContact CB-CE2 4.25Å; P271-Y364 HydrophobicContact CB-CE1 4.31Å; P271-Y364 WeakPolarHBondContact CB-OH 3.33Å; P271-Y364 HydrophobicContact CG-CE1 3.88Å; P271-Y364 WeakPolarHBondContact CG-OH 3.48Å
272	M	84.5	Confident	66.4	Low	30 Å²	30	66.9 Å²	66.9	15%	0.148	33%	0.327	C	S	.	.			trans	-118	120.7	172.9	-68.4	177	54.1	0	0	108.9	Y37 V240 I242 F324 I335	Y37-M272 HydrophobicContact CE2-CE 4.26Å; Y37-M272 HydrophobicContact CE2-SD 3.53Å; Y37-M272 VanDerWaalsContact CE2-SD 3.53Å; Y37-M272 PolarHBondContact OH-SD 3.39Å; V240-M272 HydrophobicContact CB-CE 4.21Å; V240-M272 HydrophobicContact CG1-CE 4.01Å; V240-M272 HydrophobicContact CG2-CE 3.94Å; I242-M272 HydrophobicContact CD1-CG 3.96Å; I242-M272 HydrophobicContact CD1-SD 4.45Å; I242-M272 HydrophobicContact CG1-CG 4.02Å; M272-F324 HydrophobicContact CE-CE1 4.5Å; M272-I335 HydrophobicContact CE-CD1 4.46Å
273	F	88.2	Confident	66.5	Low	10 Å²	10	68.5 Å²	68.5	4%	0.044	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	121.3	179.3	-62.9	-86.4	0	0	0	110.2	V240 E241 P243 P271 N275 M288 H291 Y292 F362	V240-F273 CarbonylContact C-O 3.57Å; V240-F273 VanDerWaalsContact CA-O 3.26Å; V240-F273 WeakPolarHBondContact CA-O 3.47Å; E241-F273 PolarHBondContact N-O 3.35Å; E241-F273 PolarHBondContact O-N 2.66Å; P243-F273 HydrophobicContact CG-CD2 4.2Å; P243-F273 HydrophobicContact CG-CE2 3.86Å; P271-F273 HydrophobicContact CB-CD2 4.39Å; P271-F273 HydrophobicContact CB-CE2 3.6Å; P271-F273 HydrophobicContact CB-CZ 3.92Å; P271-F273 HydrophobicContact CG-CE2 3.69Å; P271-F273 HydrophobicContact CG-CZ 4.29Å; F273-N275 PolarHBondContact O-N 2.83Å; F273-M288 HydrophobicContact CB-CB 3.8Å; F273-M288 VanDerWaalsContact CD1-CA 3.49Å; F273-M288 HydrophobicContact CD1-CB 3.87Å; F273-M288 HydrophobicContact CD1-CG 4.43Å; F273-M288 HydrophobicContact CD2-CB 3.75Å; F273-M288 HydrophobicContact CD2-CG 3.57Å; F273-M288 HydrophobicContact CD2-SD 4.08Å; F273-M288 HydrophobicContact CE1-CB 4.39Å; F273-M288 HydrophobicContact CE2-CB 4.28Å; F273-M288 HydrophobicContact CE2-CG 3.79Å; F273-M288 HydrophobicContact CG-CB 3.52Å; F273-M288 HydrophobicContact CG-CG 3.92Å; F273-M288 HydrophobicContact CZ-CG 4.32Å; F273-H291 HydrophobicContact CE1-CB 3.72Å; F273-H291 AromaticContact CE1-CD2 3.87Å; F273-H291 AromaticContact CE1-CG 3.75Å; F273-H291 HydrophobicContact CZ-CB 4.17Å; F273-H291 AromaticContact CZ-CD2 3.54Å; F273-H291 AromaticContact CZ-CG 3.93Å; F273-Y292 AromaticContact CE2-CE2 3.83Å; F273-Y292 HydrophobicContact CE2-CE2 3.83Å; F273-Y292 AromaticContact CZ-CE2 3.94Å; F273-Y292 HydrophobicContact CZ-CE2 3.94Å; F273-F362 HydrophobicContact CE1-CE2 4.26Å; F273-F362 HydrophobicContact CZ-CE2 4.17Å
274	Y	84.3	Confident	66.9	Low	53 Å²	53	71.3 Å²	71.3	21%	0.208	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	123	176.9	-78.1	-85.6	0	0	0	110.7	M233 N238 V240 I276	M233-Y274 HydrophobicContact CE-CD2 4.01Å; M233-Y274 HydrophobicContact CE-CE2 4.38Å; M233-Y274 HydrophobicContact CE-CG 4.32Å; M233-Y274 HydrophobicContact CG-CD1 3.78Å; M233-Y274 HydrophobicContact CG-CD2 4.3Å; M233-Y274 HydrophobicContact CG-CE1 3.84Å; M233-Y274 HydrophobicContact CG-CE2 4.37Å; M233-Y274 HydrophobicContact CG-CG 4Å; N238-Y274 HydrophobicContact CB-CE1 4.18Å; V240-Y274 HydrophobicContact CG1-CD1 3.66Å; V240-Y274 HydrophobicContact CG1-CE1 3.63Å; V240-Y274 HydrophobicContact CG1-CG 4.19Å; Y274-I276 HydrophobicContact CD1-CD1 3.66Å; Y274-I276 HydrophobicContact CD1-CG1 4.4Å; Y274-I276 HydrophobicContact CG-CD1 4.18Å; Y274-I276 PolarHBondContact O-N 2.85Å
275	N	79.7	Confident	67.9	Low	90 Å²	90	66.2 Å²	66.2	48%	0.481	34%	0.336	S	S	.	.			trans	-95.4	76.3	174.6	-169.8	-11	0	0	0	109.3	K239 E241 F273	K239-N275 HydrophobicContact CB-CB 4.38Å; K239-N275 PolarHBondContact O-N 3.29Å; E241-N275 HydrophobicContact CG-CB 4.37Å; E241-N275 PolarHBondContact OE1-ND2 3.19Å; F273-N275 PolarHBondContact O-N 2.83Å
276	I	69.9	Low	69.2	Low	15 Å²	15	60.9 Å²	60.9	8%	0.077	31%	0.314	C	S	.	.			trans	-134.1	141.5	-177	-44.1	173	0	0	0	108	M233 K234 Y274 K278	M233-I276 HydrophobicContact CB-CD1 3.33Å; M233-I276 HydrophobicContact CG-CD1 3.76Å; K234-I276 HydrophobicContact CD-CG2 4Å; Y274-I276 HydrophobicContact CD1-CD1 3.66Å; Y274-I276 HydrophobicContact CD1-CG1 4.4Å; Y274-I276 HydrophobicContact CG-CD1 4.18Å; Y274-I276 PolarHBondContact O-N 2.85Å; I276-K278 PolarHBondContact O-N 3.35Å
277	P	64	Low	70.6	Confident	101 Å²	101	62.1 Å²	62.1	66%	0.656	32%	0.32	S	S	*	.			trans	-52.7	139.9	168.4	-23.9	33.1	0	0	0	110.4	Q279	P277-Q279 PolarHBondContact O-N 2.7Å; P277-Q279 VanDerWaalsContact O-N 3.16Å
278	K	59.5	Low	72	Confident	157 Å²	157	59 Å²	59	68%	0.683	31%	0.305	S	S	*	.			trans	-54.8	122.8	176	-68.2	-170.7	174.8	-164.7	0	109.5	I276	I276-K278 PolarHBondContact O-N 3.35Å
279	Q	57.7	Low	72.8	Confident	75 Å²	75	61 Å²	61	35%	0.35	31%	0.314	S	S	.	.			trans	-104.8	154	174.7	-72.9	-178.6	-36.7	0	0	109.5	M233 P277 D281 F282	M233-Q279 PolarHBondContact O-OE1 2.86Å; P277-Q279 PolarHBondContact O-N 2.7Å; P277-Q279 VanDerWaalsContact O-N 3.16Å; Q279-D281 PolarHBondContact O-N 2.82Å; Q279-F282 CarbonylContact O-C 3.53Å; Q279-F282 PolarHBondContact O-N 2.92Å; Q279-F282 VanDerWaalsContact O-N 3.15Å
280	E	52.7	Low	73.3	Confident	196 Å²	196	66.5 Å²	66.5	92%	0.916	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-37.3	177.9	-79.2	179.6	153.8	0	0	112.7	F282	E280-F282 VanDerWaalsContact C-N 3.25Å; E280-F282 PolarHBondContact O-N 3.41Å
281	D	57.6	Low	73.6	Confident	113 Å²	113	66.5 Å²	66.5	60%	0.604	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-19	-178	-61.9	-28.7	0	0	0	114	Q279	Q279-D281 PolarHBondContact O-N 2.82Å
282	F	63.7	Low	74.1	Confident	48 Å²	48	66.5 Å²	66.5	21%	0.211	34%	0.338	C	S	.	.			trans	-137.7	69.1	-175	-58	-78.1	0	0	0	111.2	L201 M233 Q279 E280 D284 I285	L201-F282 HydrophobicContact CD1-CE1 4.49Å; L201-F282 HydrophobicContact CD1-CE2 4.44Å; L201-F282 HydrophobicContact CD1-CZ 3.7Å; M233-F282 HydrophobicContact CE-CB 4.39Å; M233-F282 HydrophobicContact CE-CD1 4.09Å; M233-F282 HydrophobicContact CE-CG 4.16Å; M233-F282 HydrophobicContact SD-CB 4.31Å; M233-F282 HydrophobicContact SD-CD1 3.57Å; M233-F282 VanDerWaalsContact SD-CD1 3.57Å; M233-F282 HydrophobicContact SD-CD2 3.59Å; M233-F282 VanDerWaalsContact SD-CD2 3.59Å; M233-F282 HydrophobicContact SD-CE1 3.59Å; M233-F282 VanDerWaalsContact SD-CE1 3.59Å; M233-F282 HydrophobicContact SD-CE2 3.62Å; M233-F282 HydrophobicContact SD-CG 3.56Å; M233-F282 VanDerWaalsContact SD-CG 3.56Å; M233-F282 HydrophobicContact SD-CZ 3.61Å; Q279-F282 CarbonylContact O-C 3.53Å; Q279-F282 PolarHBondContact O-N 2.92Å; Q279-F282 VanDerWaalsContact O-N 3.15Å; E280-F282 VanDerWaalsContact C-N 3.25Å; E280-F282 PolarHBondContact O-N 3.41Å; F282-D284 PolarHBondContact O-N 3.46Å; F282-I285 HydrophobicContact CB-CD1 3.57Å; F282-I285 HydrophobicContact CB-CG1 3.72Å; F282-I285 HydrophobicContact CG-CD1 4.42Å; F282-I285 WeakPolarHBondContact O-CG1 3.18Å; F282-I285 PolarHBondContact O-N 3.41Å
283	P	57.1	Low	74.4	Confident	83 Å²	83	67.9 Å²	67.9	54%	0.539	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-25.7	-175.4	25.6	-33.7	0	0	0	113.3	I285	P283-I285 PolarHBondContact O-N 3.38Å
284	D	63.3	Low	74.6	Confident	151 Å²	151	70.5 Å²	70.5	81%	0.807	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	14	-174.4	-65	-35.1	0	0	0	114.4	F282 E286	F282-D284 PolarHBondContact O-N 3.46Å; D284-E286 PolarHBondContact O-N 3.35Å
285	I	65.8	Low	75	Confident	24 Å²	24	68 Å²	68	12%	0.123	34%	0.344	C	S	.	.			trans	-60.8	108.6	175.2	-64.2	172.2	0	0	0	109.2	M233 F282 P283	M233-I285 HydrophobicContact CE-CD1 3.78Å; M233-I285 HydrophobicContact CE-CG1 3.7Å; M233-I285 HydrophobicContact SD-CD1 4.38Å; F282-I285 HydrophobicContact CB-CD1 3.57Å; F282-I285 HydrophobicContact CB-CG1 3.72Å; F282-I285 HydrophobicContact CG-CD1 4.42Å; F282-I285 WeakPolarHBondContact O-CG1 3.18Å; F282-I285 PolarHBondContact O-N 3.41Å; P283-I285 PolarHBondContact O-N 3.38Å
286	E	74.5	Confident	75.6	Confident	35 Å²	35	63.7 Å²	63.7	16%	0.164	32%	0.321	C	S	.	.			trans	-85.4	126.9	-179	-165.1	172.1	174.6	0	0	110.1	D284 H291 K361	D284-E286 PolarHBondContact O-N 3.35Å; E286-H291 HydrophobicContact CG-CB 4.09Å; E286-H291 WeakPolarHBondContact OE1-CA 3.03Å; E286-H291 WeakPolarHBondContact OE1-CB 3.43Å; E286-H291 IonicContact OE1-CE1 2.85Å; E286-H291 IonicContact OE1-CG 3.72Å; E286-H291 IonicContact OE1-ND1 2.7Å; E286-H291 PolarHBondContact OE1-ND1 2.79Å; E286-H291 IonicContact OE2-ND1 3.12Å; E286-K361 IonicContact OE1-NZ 3.24Å; E286-K361 IonicContact OE2-NZ 2.66Å; E286-K361 PolarHBondContact OE2-NZ 3.41Å
287	S	83.7	Confident	76.6	Confident	46 Å²	46	63.6 Å²	63.6	32%	0.322	32%	0.323	S	S	.	.			trans	-70.4	139.3	172.4	135.8	0	0	0	0	109.5	E289 K290 H291	S287-E289 VanDerWaalsContact C-N 3.26Å; S287-E289 PolarHBondContact O-N 3.24Å; S287-E289 PolarHBondContact OG-N 2.81Å; S287-E289 PolarHBondContact OG-OE2 2.7Å; S287-K290 PolarHBondContact O-N 2.85Å; S287-K290 PolarHBondContact OG-N 3.42Å; S287-K290 VanDerWaalsContact OG-N 3.17Å; S287-H291 WeakPolarHBondContact O-CB 3.44Å; S287-H291 PolarHBondContact O-N 3.46Å
288	M	88.6	Confident	77.8	Confident	4 Å²	4	63.4 Å²	63.4	2%	0.02	32%	0.32	C	S	.	.	H	α-helix	trans	-53.5	-45.4	173.8	-176.2	179.7	61.6	0	0	111.4	E241 P243 F273 K290 H291 Y292 F313 I340	E241-M288 HydrophobicContact CB-CE 4.42Å; E241-M288 HydrophobicContact CB-SD 4.16Å; E241-M288 WeakPolarHBondContact OE2-CE 3.25Å; P243-M288 HydrophobicContact CB-SD 4.04Å; P243-M288 HydrophobicContact CG-CG 4.46Å; P243-M288 HydrophobicContact CG-SD 3.85Å; F273-M288 HydrophobicContact CB-CB 3.8Å; F273-M288 VanDerWaalsContact CD1-CA 3.49Å; F273-M288 HydrophobicContact CD1-CB 3.87Å; F273-M288 HydrophobicContact CD1-CG 4.43Å; F273-M288 HydrophobicContact CD2-CB 3.75Å; F273-M288 HydrophobicContact CD2-CG 3.57Å; F273-M288 HydrophobicContact CD2-SD 4.08Å; F273-M288 HydrophobicContact CE1-CB 4.39Å; F273-M288 HydrophobicContact CE2-CB 4.28Å; F273-M288 HydrophobicContact CE2-CG 3.79Å; F273-M288 HydrophobicContact CG-CB 3.52Å; F273-M288 HydrophobicContact CG-CG 3.92Å; F273-M288 HydrophobicContact CZ-CG 4.32Å; M288-K290 PolarHBondContact O-N 3.11Å; M288-H291 PolarHBondContact O-N 3.18Å; M288-Y292 HydrophobicContact CG-CD2 3.87Å; M288-Y292 HydrophobicContact CG-CE2 3.89Å; M288-Y292 VanDerWaalsContact O-CD2 3.29Å; M288-Y292 WeakPolarHBondContact O-CD2 3.04Å; M288-Y292 PolarHBondContact O-N 3.01Å; M288-Y292 VanDerWaalsContact O-N 3.08Å; M288-F313 HydrophobicContact CE-CB 4.05Å; M288-F313 HydrophobicContact CE-CD1 3.27Å; M288-F313 HydrophobicContact CE-CD2 4.02Å; M288-F313 HydrophobicContact CE-CE1 3.56Å; M288-F313 HydrophobicContact CE-CE2 4.25Å; M288-F313 HydrophobicContact CE-CG 3.53Å; M288-F313 HydrophobicContact CE-CZ 4.04Å; M288-F313 HydrophobicContact CG-CE1 4.1Å; M288-F313 HydrophobicContact CG-CE2 4.49Å; M288-F313 HydrophobicContact CG-CZ 3.96Å; M288-F313 HydrophobicContact SD-CD1 3.95Å; M288-F313 HydrophobicContact SD-CE1 3.65Å; M288-F313 HydrophobicContact SD-CZ 4.15Å; M288-I340 HydrophobicContact CE-CD1 3.83Å; M288-I340 HydrophobicContact SD-CD1 4.27Å
289	E	89	Confident	79.3	Confident	48 Å²	48	61.2 Å²	61.2	22%	0.224	32%	0.315	C	S	.	.	H	α-helix	trans	-66.3	-41.6	-177.7	-49.8	116.8	132.6	0	0	111.4	S287 Y293 L309 R310 F313	S287-E289 VanDerWaalsContact C-N 3.26Å; S287-E289 PolarHBondContact O-N 3.24Å; S287-E289 PolarHBondContact OG-N 2.81Å; S287-E289 PolarHBondContact OG-OE2 2.7Å; E289-Y293 VanDerWaalsContact O-CB 3.25Å; E289-Y293 WeakPolarHBondContact O-CB 3.38Å; E289-Y293 PolarHBondContact O-N 2.89Å; E289-L309 WeakPolarHBondContact O-CD2 3.25Å; E289-R310 HydrophobicContact CG-CB 4.49Å; E289-R310 HydrophobicContact CG-CG 4.4Å; E289-R310 IonicContact OE1-NE 2.72Å; E289-F313 HydrophobicContact CB-CD2 4.5Å; E289-F313 HydrophobicContact CB-CE2 4.47Å; E289-F313 HydrophobicContact CG-CD2 3.86Å; E289-F313 HydrophobicContact CG-CE2 4.25Å
290	K	88	Confident	80.9	Confident	116 Å²	116	59.6 Å²	59.6	50%	0.504	31%	0.308	S	S	.	.	H	α-helix	trans	-61	-47	175.9	-177.6	176.6	173.3	-179.2	0	110.8	S287 M288 Y292 Y293 E294	S287-K290 PolarHBondContact O-N 2.85Å; S287-K290 PolarHBondContact OG-N 3.42Å; S287-K290 VanDerWaalsContact OG-N 3.17Å; M288-K290 PolarHBondContact O-N 3.11Å; K290-Y292 PolarHBondContact O-N 3.05Å; K290-Y293 PolarHBondContact O-N 3.38Å; K290-E294 WeakPolarHBondContact CE-OE1 3.28Å; K290-E294 HydrophobicContact CG-CG 4.48Å; K290-E294 IonicContact NZ-OE1 3.07Å; K290-E294 WeakPolarHBondContact O-CG 3.37Å; K290-E294 PolarHBondContact O-N 2.98Å
291	H	91.2	Very high	82.7	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-57.4	-50.6	-179.5	-176.1	69.8	0	0	0	112.7	F273 E286 S287 M288 E294 M295 F362 Y364	F273-H291 HydrophobicContact CE1-CB 3.72Å; F273-H291 AromaticContact CE1-CD2 3.87Å; F273-H291 AromaticContact CE1-CG 3.75Å; F273-H291 HydrophobicContact CZ-CB 4.17Å; F273-H291 AromaticContact CZ-CD2 3.54Å; F273-H291 AromaticContact CZ-CG 3.93Å; E286-H291 HydrophobicContact CG-CB 4.09Å; E286-H291 WeakPolarHBondContact OE1-CA 3.03Å; E286-H291 WeakPolarHBondContact OE1-CB 3.43Å; E286-H291 IonicContact OE1-CE1 2.85Å; E286-H291 IonicContact OE1-CG 3.72Å; E286-H291 IonicContact OE1-ND1 2.7Å; E286-H291 PolarHBondContact OE1-ND1 2.79Å; E286-H291 IonicContact OE2-ND1 3.12Å; S287-H291 WeakPolarHBondContact O-CB 3.44Å; S287-H291 PolarHBondContact O-N 3.46Å; M288-H291 PolarHBondContact O-N 3.18Å; H291-E294 PolarHBondContact O-N 3Å; H291-M295 PolarHBondContact O-N 3.45Å; H291-F362 AromaticContact CE1-CD2 3.51Å; H291-F362 AromaticContact CE1-CE2 3.61Å; H291-F362 AromaticContact NE2-CD2 3.3Å; H291-F362 VanDerWaalsContact NE2-CD2 3.3Å; H291-F362 WeakPolarHBondContact NE2-CD2 3.45Å; H291-F362 AromaticContact NE2-CE2 3.58Å; H291-Y364 AromaticContact NE2-CE2 3.28Å; H291-Y364 VanDerWaalsContact NE2-CE2 3.28Å; H291-Y364 WeakPolarHBondContact NE2-CE2 3.17Å; H291-Y364 AromaticContact NE2-CZ 3.78Å; H291-Y364 PolarHBondContact NE2-OH 3.46Å
292	Y	92.2	Very high	84.2	Confident	2 Å²	2	52.6 Å²	52.6	1%	0.008	28%	0.281	C	S	.	.	H	α-helix	trans	-71.3	-34.1	179.3	-77.9	-78	0	0	0	113	P243 I245 L256 F273 M288 K290 E294 M295 V296 F313 F350 L353	P243-Y292 HydrophobicContact CB-CE2 4.43Å; P243-Y292 HydrophobicContact CG-CE2 3.79Å; P243-Y292 WeakPolarHBondContact CG-OH 3.5Å; I245-Y292 HydrophobicContact CD1-CD1 4Å; I245-Y292 HydrophobicContact CD1-CE1 3.27Å; I245-Y292 HydrophobicContact CD1-CE2 4.4Å; L256-Y292 HydrophobicContact CD2-CE1 3.9Å; F273-Y292 AromaticContact CE2-CE2 3.83Å; F273-Y292 HydrophobicContact CE2-CE2 3.83Å; F273-Y292 AromaticContact CZ-CE2 3.94Å; F273-Y292 HydrophobicContact CZ-CE2 3.94Å; M288-Y292 HydrophobicContact CG-CD2 3.87Å; M288-Y292 HydrophobicContact CG-CE2 3.89Å; M288-Y292 VanDerWaalsContact O-CD2 3.29Å; M288-Y292 WeakPolarHBondContact O-CD2 3.04Å; M288-Y292 PolarHBondContact O-N 3.01Å; M288-Y292 VanDerWaalsContact O-N 3.08Å; K290-Y292 PolarHBondContact O-N 3.05Å; Y292-E294 VanDerWaalsContact C-N 3.34Å; Y292-M295 HydrophobicContact CD1-CE 3.31Å; Y292-M295 HydrophobicContact CE1-CE 3.63Å; Y292-M295 HydrophobicContact CG-CE 3.97Å; Y292-M295 PolarHBondContact O-N 2.89Å; Y292-V296 PolarHBondContact O-N 2.93Å; Y292-F313 HydrophobicContact CD2-CE1 4.45Å; Y292-F313 HydrophobicContact CD2-CE2 4.47Å; Y292-F313 AromaticContact CD2-CZ 3.63Å; Y292-F313 HydrophobicContact CD2-CZ 3.63Å; Y292-F313 HydrophobicContact CE2-CZ 4.28Å; Y292-F313 HydrophobicContact CG-CZ 4.06Å; Y292-F350 HydrophobicContact CD1-CD1 4.48Å; Y292-F350 HydrophobicContact CD1-CE1 4.2Å; Y292-F350 HydrophobicContact CG-CE1 4.3Å; Y292-L353 HydrophobicContact CD1-CD1 4.07Å; Y292-L353 HydrophobicContact CD1-CD2 4.34Å; Y292-L353 HydrophobicContact CE1-CD1 4.39Å
293	Y	92.3	Very high	85.4	Confident	59 Å²	59	54 Å²	54	23%	0.231	29%	0.29	C	S	.	.	H	α-helix	trans	-65.2	-38	176	-176.5	-103.4	0	0	0	112.3	E289 K290 M295 V296 C304 V306 L309	E289-Y293 VanDerWaalsContact O-CB 3.25Å; E289-Y293 WeakPolarHBondContact O-CB 3.38Å; E289-Y293 PolarHBondContact O-N 2.89Å; K290-Y293 PolarHBondContact O-N 3.38Å; Y293-M295 PolarHBondContact O-N 3.05Å; Y293-V296 WeakPolarHBondContact O-CB 3.39Å; Y293-V296 PolarHBondContact O-N 3.29Å; Y293-V296 VanDerWaalsContact O-N 3.09Å; Y293-C304 WeakPolarHBondContact CE2-O 3.46Å; Y293-V306 HydrophobicContact CD1-CG2 3.62Å; Y293-V306 HydrophobicContact CD2-CB 4.39Å; Y293-V306 HydrophobicContact CD2-CG2 3.67Å; Y293-V306 HydrophobicContact CE1-CG2 3.49Å; Y293-V306 VanDerWaalsContact CE1-CG2 3.49Å; Y293-V306 HydrophobicContact CE2-CB 4.42Å; Y293-V306 HydrophobicContact CE2-CG2 3.54Å; Y293-V306 HydrophobicContact CG-CG2 3.7Å; Y293-V306 VanDerWaalsContact CZ-CG2 3.46Å; Y293-L309 HydrophobicContact CD2-CD2 4.5Å
294	E	91.8	Very high	87.1	Confident	64 Å²	64	50 Å²	50	30%	0.299	27%	0.265	S	S	.	.	H	α-helix	trans	-66.3	-19.9	175.7	-74.1	178.9	-179.8	0	0	113.1	K290 H291 Y292 S359	K290-E294 WeakPolarHBondContact CE-OE1 3.28Å; K290-E294 HydrophobicContact CG-CG 4.48Å; K290-E294 IonicContact NZ-OE1 3.07Å; K290-E294 WeakPolarHBondContact O-CG 3.37Å; K290-E294 PolarHBondContact O-N 2.98Å; H291-E294 PolarHBondContact O-N 3Å; Y292-E294 VanDerWaalsContact C-N 3.34Å; E294-S359 VanDerWaalsContact C-OG 3.25Å; E294-S359 WeakPolarHBondContact O-CB 3.27Å; E294-S359 PolarHBondContact O-OG 3.36Å
295	M	93.1	Very high	88.4	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-3.5	173.1	-65.9	-173	-63.2	0	0	113.6	H291 Y292 Y293 A297 L353 D354 N360 Y364	H291-M295 PolarHBondContact O-N 3.45Å; Y292-M295 HydrophobicContact CD1-CE 3.31Å; Y292-M295 HydrophobicContact CE1-CE 3.63Å; Y292-M295 HydrophobicContact CG-CE 3.97Å; Y292-M295 PolarHBondContact O-N 2.89Å; Y293-M295 PolarHBondContact O-N 3.05Å; M295-A297 PolarHBondContact O-N 2.85Å; M295-L353 HydrophobicContact CB-CD2 4.09Å; M295-L353 CarbonylContact O-C 3.34Å; M295-L353 WeakPolarHBondContact O-CA 3.33Å; M295-D354 PolarHBondContact O-N 3.41Å; M295-N360 HydrophobicContact CG-CB 4.49Å; M295-N360 HydrophobicContact SD-CB 4.03Å; M295-Y364 HydrophobicContact CE-CD2 3.88Å; M295-Y364 HydrophobicContact CE-CE2 3.61Å; M295-Y364 HydrophobicContact SD-CD2 3.62Å; M295-Y364 HydrophobicContact SD-CE2 3.78Å
296	V	92.3	Very high	89.4	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-70.5	128.3	173.6	174.9	0	0	0	0	108.7	Y292 Y293 T298 Q300 K301 C304 L353	Y292-V296 PolarHBondContact O-N 2.93Å; Y293-V296 WeakPolarHBondContact O-CB 3.39Å; Y293-V296 PolarHBondContact O-N 3.29Å; Y293-V296 VanDerWaalsContact O-N 3.09Å; V296-T298 PolarHBondContact O-N 3.41Å; V296-Q300 HydrophobicContact CG1-CB 4.11Å; V296-K301 HydrophobicContact CB-CG 4.4Å; V296-K301 HydrophobicContact CG1-CG 4.08Å; V296-K301 VanDerWaalsContact O-CE 3.28Å; V296-K301 WeakPolarHBondContact O-CE 3.42Å; V296-C304 HydrophobicContact CG1-CB 4.26Å; V296-L353 HydrophobicContact CG2-CD2 4.13Å
297	A	90.9	Very high	90.1	Very high	14 Å²	14	50.2 Å²	50.2	12%	0.116	27%	0.267	C	S	.	.			trans	-51.3	135.9	178.1	0	0	0	0	0	110.9	M295 D299 Q300 K301 Y352 D354	M295-A297 PolarHBondContact O-N 2.85Å; A297-D299 VanDerWaalsContact CB-OD1 3.26Å; A297-D299 WeakPolarHBondContact CB-OD1 3.01Å; A297-D299 PolarHBondContact O-N 3.4Å; A297-D299 VanDerWaalsContact O-N 3.16Å; A297-Q300 HydrophobicContact CB-CB 4.36Å; A297-Q300 HydrophobicContact CB-CG 4.18Å; A297-Q300 WeakPolarHBondContact O-CA 3.43Å; A297-Q300 PolarHBondContact O-N 2.84Å; A297-K301 PolarHBondContact O-N 2.89Å; A297-Y352 PolarHBondContact N-O 2.98Å; A297-D354 HydrophobicContact CB-CB 4.08Å
298	T	89.4	Confident	90.4	Very high	96 Å²	96	51.9 Å²	51.9	59%	0.589	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-58	-34.9	-170.3	-66.4	0	0	0	0	113.1	V296 Q300	V296-T298 PolarHBondContact O-N 3.41Å; T298-Q300 VanDerWaalsContact C-N 3.3Å; T298-Q300 PolarHBondContact O-N 3.16Å
299	D	90.1	Very high	90.5	Very high	111 Å²	111	51.7 Å²	51.7	59%	0.594	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-71.5	-19.9	175.4	67.3	-49.8	0	0	0	113.7	A297	A297-D299 VanDerWaalsContact CB-OD1 3.26Å; A297-D299 WeakPolarHBondContact CB-OD1 3.01Å; A297-D299 PolarHBondContact O-N 3.4Å; A297-D299 VanDerWaalsContact O-N 3.16Å
300	Q	91.5	Very high	90.5	Very high	41 Å²	41	53.8 Å²	53.8	19%	0.192	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-100.1	-4.1	-179.9	-59.5	-56.9	-44	0	0	114.1	V296 A297 T298 S302 N303 C304 Y352	V296-Q300 HydrophobicContact CG1-CB 4.11Å; A297-Q300 HydrophobicContact CB-CB 4.36Å; A297-Q300 HydrophobicContact CB-CG 4.18Å; A297-Q300 WeakPolarHBondContact O-CA 3.43Å; A297-Q300 PolarHBondContact O-N 2.84Å; T298-Q300 VanDerWaalsContact C-N 3.3Å; T298-Q300 PolarHBondContact O-N 3.16Å; Q300-S302 PolarHBondContact O-N 2.78Å; Q300-N303 WeakPolarHBondContact O-CB 3.42Å; Q300-N303 PolarHBondContact O-N 3.46Å; Q300-N303 PolarHBondContact OE1-ND2 2.98Å; Q300-C304 PolarHBondContact O-N 3.38Å; Q300-Y352 HydrophobicContact CB-CD1 4.27Å; Q300-Y352 HydrophobicContact CB-CD2 4.09Å; Q300-Y352 HydrophobicContact CB-CG 3.76Å; Q300-Y352 HydrophobicContact CG-CD1 3.92Å; Q300-Y352 HydrophobicContact CG-CG 3.91Å
301	K	90	Very high	90.4	Very high	68 Å²	68	51.1 Å²	51.1	30%	0.296	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-24.9	178.9	-74.9	-177.2	178.3	170.5	0	113.8	V296 A297 C304	V296-K301 HydrophobicContact CB-CG 4.4Å; V296-K301 HydrophobicContact CG1-CG 4.08Å; V296-K301 VanDerWaalsContact O-CE 3.28Å; V296-K301 WeakPolarHBondContact O-CE 3.42Å; A297-K301 PolarHBondContact O-N 2.89Å; K301-C304 CarbonylContact O-C 3.57Å
302	S	89.6	Confident	90.2	Very high	94 Å²	94	51.1 Å²	51.1	66%	0.657	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-38.1	171.1	55.1	0	0	0	0	112.3	Q300	Q300-S302 PolarHBondContact O-N 2.78Å
303	N	89.5	Confident	90	Very high	77 Å²	77	51.3 Å²	51.3	41%	0.412	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-25.4	179.4	-69.9	-25.2	0	0	0	113.1	Q300 K308 Y352	Q300-N303 WeakPolarHBondContact O-CB 3.42Å; Q300-N303 PolarHBondContact O-N 3.46Å; Q300-N303 PolarHBondContact OE1-ND2 2.98Å; N303-K308 PolarHBondContact O-NZ 2.86Å; N303-Y352 HydrophobicContact CB-CD2 4.46Å; N303-Y352 HydrophobicContact CB-CE2 3.83Å
304	C	91.5	Very high	89.6	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.29	C	S	.	.	S	Bend	trans	-127.2	89.4	175.2	179.5	0	0	0	0	110.3	Y293 V296 Q300 K301 C349 Y352	Y293-C304 WeakPolarHBondContact CE2-O 3.46Å; V296-C304 HydrophobicContact CG1-CB 4.26Å; Q300-C304 PolarHBondContact O-N 3.38Å; K301-C304 CarbonylContact O-C 3.57Å; C304-C349 HydrophobicContact CB-CB 4.01Å; C304-C349 WeakPolarHBondContact CB-SG 3.27Å; C304-C349 VanDerWaalsContact SG-CA 3.6Å; C304-C349 WeakPolarHBondContact SG-CB 3.46Å; C304-C349 CovalentContact SG-SG 2.03Å; C304-C349 PolarHBondContact SG-SG 3.26Å; C304-Y352 HydrophobicContact CB-CD2 3.91Å; C304-Y352 HydrophobicContact CB-CE2 4.46Å
305	T	90.7	Very high	89	Confident	55 Å²	55	55 Å²	55	34%	0.337	29%	0.292	S	S	.	.			trans	-72.9	162.1	172.6	65.6	0	0	0	0	111.5	E307 K308 L309	T305-E307 PolarHBondContact O-N 3.04Å; T305-K308 PolarHBondContact O-N 2.98Å; T305-K308 VanDerWaalsContact O-N 3.14Å; T305-K308 WeakPolarHBondContact OG1-CB 3.4Å; T305-K308 PolarHBondContact OG1-N 2.99Å; T305-L309 PolarHBondContact O-N 3.25Å
306	V	88.3	Confident	88.5	Confident	40 Å²	40	55.7 Å²	55.7	24%	0.242	30%	0.298	C	S	.	.	H	α-helix	trans	-56.7	-40.4	176	179.5	0	0	0	0	110.8	Y293 R310	Y293-V306 HydrophobicContact CD1-CG2 3.62Å; Y293-V306 HydrophobicContact CD2-CB 4.39Å; Y293-V306 HydrophobicContact CD2-CG2 3.67Å; Y293-V306 HydrophobicContact CE1-CG2 3.49Å; Y293-V306 VanDerWaalsContact CE1-CG2 3.49Å; Y293-V306 HydrophobicContact CE2-CB 4.42Å; Y293-V306 HydrophobicContact CE2-CG2 3.54Å; Y293-V306 HydrophobicContact CG-CG2 3.7Å; Y293-V306 VanDerWaalsContact CZ-CG2 3.46Å; V306-R310 VanDerWaalsContact O-CB 3.25Å; V306-R310 WeakPolarHBondContact O-CB 3.26Å; V306-R310 PolarHBondContact O-N 3.04Å
307	E	89.4	Confident	87.8	Confident	119 Å²	119	56.7 Å²	56.7	56%	0.556	30%	0.304	S	S	*	.	H	α-helix	trans	-65.5	-41.2	179.1	-65.1	65.1	-137.5	0	0	111.3	T305 R310 S311	T305-E307 PolarHBondContact O-N 3.04Å; E307-R310 PolarHBondContact O-N 2.73Å; E307-S311 WeakPolarHBondContact O-CB 3.44Å; E307-S311 PolarHBondContact O-N 3.46Å
308	K	89.6	Confident	87.3	Confident	82 Å²	82	59.5 Å²	59.5	36%	0.357	31%	0.314	S	S	.	.	H	α-helix	trans	-66	-47.7	177.7	-171.6	172.8	176.9	-177.8	0	110.8	N303 T305 R310 S311 S312	N303-K308 PolarHBondContact O-NZ 2.86Å; T305-K308 PolarHBondContact O-N 2.98Å; T305-K308 VanDerWaalsContact O-N 3.14Å; T305-K308 WeakPolarHBondContact OG1-CB 3.4Å; T305-K308 PolarHBondContact OG1-N 2.99Å; K308-R310 VanDerWaalsContact C-N 3.33Å; K308-R310 PolarHBondContact O-N 2.87Å; K308-S311 WeakPolarHBondContact O-CA 3.38Å; K308-S311 WeakPolarHBondContact O-CB 3.25Å; K308-S311 PolarHBondContact O-N 2.88Å; K308-S311 VanDerWaalsContact O-N 3.1Å; K308-S311 PolarHBondContact O-OG 2.59Å; K308-S312 PolarHBondContact O-N 2.77Å; K308-S312 PolarHBondContact O-OG 3.24Å; K308-S312 VanDerWaalsContact O-OG 3.08Å
309	L	90.3	Very high	87	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-59.4	-43.8	174.7	-176.6	71.8	0	0	0	111.8	E289 Y293 T305 S311 S312 F313 C349 F350	E289-L309 WeakPolarHBondContact O-CD2 3.25Å; Y293-L309 HydrophobicContact CD2-CD2 4.5Å; T305-L309 PolarHBondContact O-N 3.25Å; L309-S311 VanDerWaalsContact C-N 3.29Å; L309-S311 PolarHBondContact O-N 3.05Å; L309-S312 VanDerWaalsContact O-CB 3.27Å; L309-S312 WeakPolarHBondContact O-CB 3.4Å; L309-S312 PolarHBondContact O-N 2.65Å; L309-S312 VanDerWaalsContact O-N 3.15Å; L309-F313 HydrophobicContact CD1-CE2 4.02Å; L309-F313 HydrophobicContact CD2-CE2 4.19Å; L309-F313 HydrophobicContact CG-CD2 4.24Å; L309-F313 HydrophobicContact CG-CE2 3.76Å; L309-F313 VanDerWaalsContact O-CD2 3.25Å; L309-F313 WeakPolarHBondContact O-CD2 3.28Å; L309-F313 PolarHBondContact O-N 2.75Å; L309-C349 HydrophobicContact CD1-CB 3.71Å; L309-F350 HydrophobicContact CD1-CE1 4.07Å; L309-F350 HydrophobicContact CD1-CE2 4.18Å; L309-F350 HydrophobicContact CD1-CZ 3.77Å
310	R	88.6	Confident	86.6	Confident	92 Å²	92	54.3 Å²	54.3	35%	0.347	29%	0.286	S	S	.	.	H	α-helix	trans	-61.2	-39	175.2	-174.8	-176.5	-70.4	132.2	-2.9	111.4	E289 V306 E307 K308 S312 F313 K314	E289-R310 HydrophobicContact CG-CB 4.49Å; E289-R310 HydrophobicContact CG-CG 4.4Å; E289-R310 IonicContact OE1-NE 2.72Å; V306-R310 VanDerWaalsContact O-CB 3.25Å; V306-R310 WeakPolarHBondContact O-CB 3.26Å; V306-R310 PolarHBondContact O-N 3.04Å; E307-R310 PolarHBondContact O-N 2.73Å; K308-R310 VanDerWaalsContact C-N 3.33Å; K308-R310 PolarHBondContact O-N 2.87Å; R310-S312 VanDerWaalsContact C-N 3.33Å; R310-F313 PolarHBondContact O-N 2.71Å; R310-K314 WeakPolarHBondContact O-CG 3.31Å; R310-K314 PolarHBondContact O-N 3.01Å; R310-K314 VanDerWaalsContact O-N 3.15Å
311	S	86.6	Confident	86	Confident	60 Å²	60	52.6 Å²	52.6	42%	0.42	28%	0.278	S	S	.	.	H	α-helix	trans	-63.7	-38.9	175	78	0	0	0	0	111.8	E307 K308 L309 F313 K314 S315	E307-S311 WeakPolarHBondContact O-CB 3.44Å; E307-S311 PolarHBondContact O-N 3.46Å; K308-S311 WeakPolarHBondContact O-CA 3.38Å; K308-S311 WeakPolarHBondContact O-CB 3.25Å; K308-S311 PolarHBondContact O-N 2.88Å; K308-S311 VanDerWaalsContact O-N 3.1Å; K308-S311 PolarHBondContact O-OG 2.59Å; L309-S311 VanDerWaalsContact C-N 3.29Å; L309-S311 PolarHBondContact O-N 3.05Å; S311-F313 PolarHBondContact O-N 2.88Å; S311-K314 WeakPolarHBondContact O-CA 3.2Å; S311-K314 WeakPolarHBondContact O-CB 3.08Å; S311-K314 PolarHBondContact O-N 3.37Å; S311-S315 PolarHBondContact O-N 3.36Å; S311-S315 PolarHBondContact O-OG 3.4Å; S311-S315 VanDerWaalsContact O-OG 3.04Å
312	S	85.8	Confident	85.6	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-59.4	-41.7	175.2	-53.5	0	0	0	0	112.8	K308 L309 R310 K314 S315 A316 E347	K308-S312 PolarHBondContact O-N 2.77Å; K308-S312 PolarHBondContact O-OG 3.24Å; K308-S312 VanDerWaalsContact O-OG 3.08Å; L309-S312 VanDerWaalsContact O-CB 3.27Å; L309-S312 WeakPolarHBondContact O-CB 3.4Å; L309-S312 PolarHBondContact O-N 2.65Å; L309-S312 VanDerWaalsContact O-N 3.15Å; R310-S312 VanDerWaalsContact C-N 3.33Å; S312-K314 VanDerWaalsContact C-N 3.31Å; S312-K314 PolarHBondContact O-N 2.03Å; S312-S315 WeakPolarHBondContact CA-OG 3.42Å; S312-S315 PolarHBondContact O-OG 2.78Å; S312-A316 VanDerWaalsContact O-CB 3.32Å; S312-A316 WeakPolarHBondContact O-CB 3.27Å; S312-A316 PolarHBondContact O-N 3.25Å; S312-A316 VanDerWaalsContact O-N 3.12Å; S312-E347 WeakPolarHBondContact CA-OE2 3.26Å; S312-E347 VanDerWaalsContact CB-CD 3.41Å; S312-E347 WeakPolarHBondContact CB-OE2 3.28Å; S312-E347 PolarHBondContact OG-OE2 3.23Å
313	F	87.8	Confident	85.2	Confident	5 Å²	5	55.2 Å²	55.2	2%	0.022	28%	0.277	C	S	.	.	H	α-helix	trans	-70	-27.6	174.3	-70.7	-65.1	0	0	0	113	P243 M288 E289 Y292 L309 R310 S311 K318 I342 F350	P243-F313 HydrophobicContact CB-CE1 4.44Å; M288-F313 HydrophobicContact CE-CB 4.05Å; M288-F313 HydrophobicContact CE-CD1 3.27Å; M288-F313 HydrophobicContact CE-CD2 4.02Å; M288-F313 HydrophobicContact CE-CE1 3.56Å; M288-F313 HydrophobicContact CE-CE2 4.25Å; M288-F313 HydrophobicContact CE-CG 3.53Å; M288-F313 HydrophobicContact CE-CZ 4.04Å; M288-F313 HydrophobicContact CG-CE1 4.1Å; M288-F313 HydrophobicContact CG-CE2 4.49Å; M288-F313 HydrophobicContact CG-CZ 3.96Å; M288-F313 HydrophobicContact SD-CD1 3.95Å; M288-F313 HydrophobicContact SD-CE1 3.65Å; M288-F313 HydrophobicContact SD-CZ 4.15Å; E289-F313 HydrophobicContact CB-CD2 4.5Å; E289-F313 HydrophobicContact CB-CE2 4.47Å; E289-F313 HydrophobicContact CG-CD2 3.86Å; E289-F313 HydrophobicContact CG-CE2 4.25Å; Y292-F313 HydrophobicContact CD2-CE1 4.45Å; Y292-F313 HydrophobicContact CD2-CE2 4.47Å; Y292-F313 AromaticContact CD2-CZ 3.63Å; Y292-F313 HydrophobicContact CD2-CZ 3.63Å; Y292-F313 HydrophobicContact CE2-CZ 4.28Å; Y292-F313 HydrophobicContact CG-CZ 4.06Å; L309-F313 HydrophobicContact CD1-CE2 4.02Å; L309-F313 HydrophobicContact CD2-CE2 4.19Å; L309-F313 HydrophobicContact CG-CD2 4.24Å; L309-F313 HydrophobicContact CG-CE2 3.76Å; L309-F313 VanDerWaalsContact O-CD2 3.25Å; L309-F313 WeakPolarHBondContact O-CD2 3.28Å; L309-F313 PolarHBondContact O-N 2.75Å; R310-F313 PolarHBondContact O-N 2.71Å; S311-F313 PolarHBondContact O-N 2.88Å; F313-K318 WeakPolarHBondContact O-CE 3.35Å; F313-K318 PolarHBondContact O-NZ 3.17Å; F313-I342 HydrophobicContact CD1-CD1 3.5Å; F313-I342 VanDerWaalsContact CD1-CD1 3.5Å; F313-I342 HydrophobicContact CE1-CD1 3.49Å; F313-I342 VanDerWaalsContact CE1-CD1 3.49Å; F313-F350 HydrophobicContact CD1-CZ 4.23Å; F313-F350 HydrophobicContact CE1-CE1 4.01Å; F313-F350 AromaticContact CE1-CZ 3.59Å; F313-F350 HydrophobicContact CE1-CZ 3.59Å; F313-F350 HydrophobicContact CE2-CE1 4.47Å; F313-F350 HydrophobicContact CE2-CZ 4.01Å; F313-F350 AromaticContact CZ-CE1 3.69Å; F313-F350 HydrophobicContact CZ-CE1 3.69Å; F313-F350 AromaticContact CZ-CZ 3.47Å; F313-F350 HydrophobicContact CZ-CZ 3.47Å; F313-F350 VanDerWaalsContact CZ-CZ 3.47Å
314	K	84.3	Confident	84.7	Confident	149 Å²	149	51.5 Å²	51.5	65%	0.648	26%	0.257	S	S	*	.	H	α-helix	trans	-77.3	-40.3	177.4	-74.2	179.5	178.6	-176.1	0	112.3	R310 S311 S312	R310-K314 WeakPolarHBondContact O-CG 3.31Å; R310-K314 PolarHBondContact O-N 3.01Å; R310-K314 VanDerWaalsContact O-N 3.15Å; S311-K314 WeakPolarHBondContact O-CA 3.2Å; S311-K314 WeakPolarHBondContact O-CB 3.08Å; S311-K314 PolarHBondContact O-N 3.37Å; S312-K314 VanDerWaalsContact C-N 3.31Å; S312-K314 PolarHBondContact O-N 2.03Å
315	S	79.7	Confident	83.9	Confident	51 Å²	51	53.6 Å²	53.6	36%	0.357	27%	0.27	S	S	.	.	H	α-helix	trans	-74.3	-26.1	178.4	54	0	0	0	0	113.5	S311 S312 E347	S311-S315 PolarHBondContact O-N 3.36Å; S311-S315 PolarHBondContact O-OG 3.4Å; S311-S315 VanDerWaalsContact O-OG 3.04Å; S312-S315 WeakPolarHBondContact CA-OG 3.42Å; S312-S315 PolarHBondContact O-OG 2.78Å; S315-E347 PolarHBondContact OG-OE1 2.82Å
316	A	82.2	Confident	83.3	Confident	15 Å²	15	51.7 Å²	51.7	12%	0.124	26%	0.258	C	S	.	.	S	Bend	trans	-57	149.8	-177.2	0	0	0	0	0	113.7	S312 K318 I340 I342	S312-A316 VanDerWaalsContact O-CB 3.32Å; S312-A316 WeakPolarHBondContact O-CB 3.27Å; S312-A316 PolarHBondContact O-N 3.25Å; S312-A316 VanDerWaalsContact O-N 3.12Å; A316-K318 WeakPolarHBondContact O-CG 3.45Å; A316-K318 PolarHBondContact O-N 3.43Å; A316-I340 HydrophobicContact CB-CG2 3.43Å; A316-I340 VanDerWaalsContact CB-CG2 3.43Å; A316-I342 HydrophobicContact CB-CD1 4.46Å; A316-I342 HydrophobicContact CB-CG1 3.84Å
317	T	78.2	Confident	82.8	Confident	21 Å²	21	52.5 Å²	52.5	13%	0.129	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	123.9	174.8	-55.6	0	0	0	0	109.9	V341 L384 K387 Q388	T317-V341 PolarHBondContact O-N 3.01Å; T317-L384 HydrophobicContact CG2-CB 4.26Å; T317-L384 HydrophobicContact CG2-CD2 4.05Å; T317-L384 WeakPolarHBondContact CG2-O 3.02Å; T317-K387 HydrophobicContact CG2-CB 4.22Å; T317-K387 HydrophobicContact CG2-CD 4.35Å; T317-Q388 PolarHBondContact OG1-NE2 2.68Å
318	K	80.7	Confident	82.6	Confident	74 Å²	74	51 Å²	51	32%	0.322	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	143.7	-179.2	-53.4	-174.3	-175.3	-176.6	0	111.4	F313 A316 I339 I340	F313-K318 WeakPolarHBondContact O-CE 3.35Å; F313-K318 PolarHBondContact O-NZ 3.17Å; A316-K318 WeakPolarHBondContact O-CG 3.45Å; A316-K318 PolarHBondContact O-N 3.43Å; K318-I339 CarbonylContact C-O 3.55Å; K318-I339 WeakPolarHBondContact CA-O 3.26Å; K318-I340 HydrophobicContact CD-CG1 4.43Å; K318-I340 HydrophobicContact CG-CG1 4.24Å
319	L	81.6	Confident	82.5	Confident	11 Å²	11	47.1 Å²	47.1	6%	0.058	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	116.6	162.4	-170.7	59.3	0	0	0	109.3	L25 N338 I339 L380 L384	L25-L319 HydrophobicContact CD1-CD1 3.48Å; L25-L319 VanDerWaalsContact CD1-CD1 3.48Å; L25-L319 HydrophobicContact CD1-CD2 3.37Å; L25-L319 HydrophobicContact CD1-CG 3.73Å; L25-L319 HydrophobicContact CD2-CD1 3.88Å; L25-L319 HydrophobicContact CG-CD1 4.34Å; L319-N338 CarbonylContact O-C 3.59Å; L319-N338 WeakPolarHBondContact O-CA 3.27Å; L319-I339 HydrophobicContact CB-CB 4.26Å; L319-I339 HydrophobicContact CD2-CD1 4.38Å; L319-I339 PolarHBondContact N-O 3.5Å; L319-I339 PolarHBondContact O-N 2.96Å; L319-L380 HydrophobicContact CD2-CD1 3.46Å; L319-L380 VanDerWaalsContact CD2-CD1 3.46Å; L319-L380 HydrophobicContact CD2-CG 4.43Å; L319-L384 HydrophobicContact CB-CD1 3.87Å; L319-L384 HydrophobicContact CB-CD2 3.61Å; L319-L384 HydrophobicContact CB-CG 4.35Å; L319-L384 HydrophobicContact CD1-CD2 4.26Å; L319-L384 HydrophobicContact CD2-CD1 4.18Å; L319-L384 HydrophobicContact CD2-CD2 4.32Å; L319-L384 HydrophobicContact CG-CD2 4.31Å
320	T	81.7	Confident	82.6	Confident	87 Å²	87	47.1 Å²	47.1	53%	0.534	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	116.1	173.4	-57.9	0	0	0	0	109.2	N338	T320-N338 WeakPolarHBondContact CB-OD1 3.16Å; T320-N338 PolarHBondContact OG1-OD1 3.41Å
321	I	80.6	Confident	82.9	Confident	4 Å²	4	43 Å²	43	2%	0.021	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	116.1	171.2	-71.8	165.9	0	0	0	107.6	T29 F32 Y323 F324 T336 A337 I339	T29-I321 HydrophobicContact CG2-CB 4.3Å; T29-I321 HydrophobicContact CG2-CD1 3.92Å; T29-I321 HydrophobicContact CG2-CG1 4Å; T29-I321 HydrophobicContact CG2-CG2 3.36Å; F32-I321 HydrophobicContact CD1-CD1 4.42Å; I321-Y323 VanDerWaalsContact C-N 3.26Å; I321-Y323 WeakPolarHBondContact CG2-O 3.4Å; I321-Y323 PolarHBondContact O-N 2.99Å; I321-F324 HydrophobicContact CD1-CD2 4.5Å; I321-F324 HydrophobicContact CG2-CB 4.1Å; I321-T336 WeakPolarHBondContact O-CA 3.49Å; I321-T336 WeakPolarHBondContact O-CB 3.4Å; I321-A337 HydrophobicContact CB-CB 4.29Å; I321-A337 PolarHBondContact N-O 3.06Å; I321-A337 PolarHBondContact O-N 3.32Å; I321-A337 VanDerWaalsContact O-N 3.11Å; I321-I339 HydrophobicContact CD1-CD1 3.4Å; I321-I339 VanDerWaalsContact CD1-CD1 3.4Å; I321-I339 HydrophobicContact CD1-CG1 4Å
322	K	81.1	Confident	83.1	Confident	171 Å²	171	40.6 Å²	40.6	74%	0.743	20%	0.204	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-72.4	-18	-178.9	-68.7	-175.8	179.3	174.6	0	113.9	T336	K322-T336 WeakPolarHBondContact O-CG2 3.14Å
323	Y	80.8	Confident	83.4	Confident	46 Å²	46	40.6 Å²	40.6	18%	0.18	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	123.9	170.1	174.7	-93.1	0	0	0	109.6	N219 P220 E221 I321 P325 W334	N219-Y323 WeakPolarHBondContact OD1-CE2 3.43Å; P220-Y323 HydrophobicContact CG-CD2 4.27Å; E221-Y323 HydrophobicContact CB-CD1 4.33Å; E221-Y323 HydrophobicContact CB-CD2 4.14Å; E221-Y323 HydrophobicContact CB-CE1 4.14Å; E221-Y323 HydrophobicContact CB-CE2 3.94Å; E221-Y323 HydrophobicContact CB-CG 4.29Å; E221-Y323 HydrophobicContact CG-CD1 3.23Å; E221-Y323 HydrophobicContact CG-CD2 3.46Å; E221-Y323 VanDerWaalsContact CG-CD2 3.46Å; E221-Y323 HydrophobicContact CG-CE1 3.49Å; E221-Y323 VanDerWaalsContact CG-CE1 3.49Å; E221-Y323 HydrophobicContact CG-CE2 3.7Å; E221-Y323 HydrophobicContact CG-CG 3.18Å; I321-Y323 VanDerWaalsContact C-N 3.26Å; I321-Y323 WeakPolarHBondContact CG2-O 3.4Å; I321-Y323 PolarHBondContact O-N 2.99Å; Y323-P325 HydrophobicContact CD1-CG 4.28Å; Y323-P325 HydrophobicContact CE1-CB 4.27Å; Y323-P325 HydrophobicContact CE1-CG 3.92Å; Y323-W334 HydrophobicContact CD2-CB 4.1Å; Y323-W334 HydrophobicContact CD2-CG 4.46Å; Y323-W334 HydrophobicContact CE2-CB 3.97Å
324	F	78.7	Confident	83.6	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	113.9	179	-178.4	-98.5	0	0	0	109.4	F32 L36 Y37 M272 I321 H326 I335 A337	F32-F324 HydrophobicContact CD1-CD2 4.48Å; F32-F324 AromaticContact CD1-CE2 3.74Å; F32-F324 HydrophobicContact CD1-CE2 3.74Å; F32-F324 HydrophobicContact CE1-CE2 4.22Å; L36-F324 HydrophobicContact CB-CZ 4.06Å; L36-F324 HydrophobicContact CD1-CE1 4.3Å; L36-F324 HydrophobicContact CD1-CE2 3.73Å; L36-F324 HydrophobicContact CD1-CZ 3.33Å; L36-F324 HydrophobicContact CG-CZ 4.16Å; Y37-F324 HydrophobicContact CD2-CE1 4.13Å; Y37-F324 HydrophobicContact CD2-CZ 4.43Å; Y37-F324 HydrophobicContact CE2-CE1 4.07Å; M272-F324 HydrophobicContact CE-CE1 4.5Å; I321-F324 HydrophobicContact CD1-CD2 4.5Å; I321-F324 HydrophobicContact CG2-CB 4.1Å; F324-H326 HydrophobicContact CD1-CB 4.43Å; F324-H326 PolarHBondContact O-N 2.84Å; F324-I335 HydrophobicContact CB-CB 4.21Å; F324-I335 HydrophobicContact CB-CG2 3.87Å; F324-I335 HydrophobicContact CD1-CB 4.31Å; F324-I335 HydrophobicContact CD1-CG2 3.89Å; F324-I335 HydrophobicContact CG-CG2 4.23Å; F324-I335 PolarHBondContact N-O 3.29Å; F324-A337 HydrophobicContact CB-CB 4.05Å; F324-A337 HydrophobicContact CD2-CB 4.08Å; F324-A337 HydrophobicContact CG-CB 4.07Å
325	P	75.3	Confident	83.8	Confident	43 Å²	43	34.8 Å²	34.8	28%	0.279	18%	0.178	S	C	.	.			trans	-57.7	128	177.6	-22.6	31.6	0	0	0	111.1	Y323	Y323-P325 HydrophobicContact CD1-CG 4.28Å; Y323-P325 HydrophobicContact CE1-CB 4.27Å; Y323-P325 HydrophobicContact CE1-CG 3.92Å
326	H	78.5	Confident	84.2	Confident	16 Å²	16	32.8 Å²	32.8	7%	0.074	16%	0.164	C	C	.	.			trans	-147.2	139.8	-175.2	-169.3	-91.9	0	0	0	111.9	Y37 F324 Y328 A329 I335	Y37-H326 AromaticContact CD2-CD2 3.74Å; Y37-H326 AromaticContact CE1-NE2 3.67Å; Y37-H326 AromaticContact CE2-CD2 3.25Å; Y37-H326 WeakPolarHBondContact CE2-CD2 3.43Å; Y37-H326 AromaticContact CE2-NE2 3.45Å; Y37-H326 WeakPolarHBondContact CE2-NE2 3.47Å; Y37-H326 AromaticContact CZ-CD2 3.52Å; Y37-H326 AromaticContact CZ-NE2 3.13Å; Y37-H326 PolarHBondContact OH-NE2 3.05Å; F324-H326 HydrophobicContact CD1-CB 4.43Å; F324-H326 PolarHBondContact O-N 2.84Å; H326-Y328 AromaticContact CE1-CD2 3.48Å; H326-Y328 VanDerWaalsContact CE1-CD2 3.48Å; H326-Y328 WeakPolarHBondContact CE1-CD2 3.16Å; H326-Y328 AromaticContact CE1-CG 3.88Å; H326-Y328 PolarHBondContact ND1-N 2.87Å; H326-Y328 PolarHBondContact O-N 3.03Å; H326-Y328 VanDerWaalsContact O-N 3.08Å; H326-A329 HydrophobicContact CB-CB 4.34Å; H326-A329 WeakPolarHBondContact O-CB 3.45Å; H326-A329 PolarHBondContact O-N 2.98Å; H326-I335 HydrophobicContact CB-CD1 3.7Å; H326-I335 WeakPolarHBondContact CD2-CD1 3.4Å
327	P	76.8	Confident	84.5	Confident	57 Å²	57	32.1 Å²	32.1	37%	0.37	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-23.3	-177.2	23	-35.1	0	0	0	114	Y37 R177	Y37-P327 HydrophobicContact CD1-CG 3.75Å; Y37-P327 HydrophobicContact CE1-CG 4.34Å; Y37-P327 HydrophobicContact CG-CG 4.08Å; R177-P327 PolarHBondContact NH2-O 2.86Å
328	Y	85.3	Confident	84.9	Confident	86 Å²	86	32.8 Å²	32.8	34%	0.337	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98	0.4	177	-53.1	-35	0	0	0	115.3	Y170 L231 H326 T330	Y170-Y328 HydrophobicContact CE2-CD1 4.39Å; Y170-Y328 PolarHBondContact OH-O 2.92Å; L231-Y328 HydrophobicContact CB-CD1 4.42Å; L231-Y328 HydrophobicContact CB-CD2 4.08Å; L231-Y328 HydrophobicContact CB-CG 3.98Å; L231-Y328 HydrophobicContact CD1-CD1 3.78Å; L231-Y328 HydrophobicContact CD1-CD2 4.34Å; L231-Y328 HydrophobicContact CD1-CE1 3.72Å; L231-Y328 HydrophobicContact CD1-CE2 4.31Å; L231-Y328 HydrophobicContact CD1-CG 4.13Å; H326-Y328 AromaticContact CE1-CD2 3.48Å; H326-Y328 VanDerWaalsContact CE1-CD2 3.48Å; H326-Y328 WeakPolarHBondContact CE1-CD2 3.16Å; H326-Y328 AromaticContact CE1-CG 3.88Å; H326-Y328 PolarHBondContact ND1-N 2.87Å; H326-Y328 PolarHBondContact O-N 3.03Å; H326-Y328 VanDerWaalsContact O-N 3.08Å; Y328-T330 WeakPolarHBondContact O-CG2 3.49Å
329	A	88.5	Confident	85.2	Confident	2 Å²	2	29.3 Å²	29.3	2%	0.017	15%	0.146	C	C	.	.			trans	-63.6	136.8	176.1	0	0	0	0	0	111.1	R177 H326 A333	R177-A329 PolarHBondContact NH1-O 2.81Å; R177-A329 VanDerWaalsContact NH1-O 3.08Å; R177-A329 PolarHBondContact NH2-O 3.41Å; H326-A329 HydrophobicContact CB-CB 4.34Å; H326-A329 WeakPolarHBondContact O-CB 3.45Å; H326-A329 PolarHBondContact O-N 2.98Å; A329-A333 CarbonylContact C-O 3.55Å; A329-A333 WeakPolarHBondContact CA-O 3.16Å
330	T	92.3	Very high	85.5	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.143	C	C	.	.			trans	-119.9	179.1	-179	72.5	0	0	0	0	109.8	Y170 N219 T224 I226 G228 Y328 N332 A333	Y170-T330 HydrophobicContact CE2-CG2 4.27Å; N219-T330 WeakPolarHBondContact CB-O 3.49Å; N219-T330 PolarHBondContact ND2-O 2.9Å; T224-T330 WeakPolarHBondContact CG2-O 3.23Å; T224-T330 VanDerWaalsContact OG1-CA 3.25Å; T224-T330 WeakPolarHBondContact OG1-CA 3.36Å; I226-T330 HydrophobicContact CG2-CG2 3.64Å; G228-T330 VanDerWaalsContact O-CB 3.3Å; G228-T330 WeakPolarHBondContact O-CB 3.43Å; G228-T330 PolarHBondContact O-OG1 2.98Å; Y328-T330 WeakPolarHBondContact O-CG2 3.49Å; T330-N332 PolarHBondContact O-N 3.19Å; T330-N332 VanDerWaalsContact O-N 3.15Å; T330-N332 PolarHBondContact OG1-N 2.88Å; T330-N332 VanDerWaalsContact OG1-N 3.08Å; T330-A333 PolarHBondContact N-O 3.31Å; T330-A333 PolarHBondContact OG1-N 2.76Å
331	D	93.5	Very high	85.6	Confident	5 Å²	5	24.9 Å²	24.9	3%	0.027	12%	0.12	C	C	.	.	S	Bend	trans	-60.3	-20.8	171.1	-72.8	11.5	0	0	0	112.4	W187 Y194 N219 T224 I226 A227	W187-D331 HydrophobicContact CH2-CB 3.97Å; W187-D331 HydrophobicContact CZ2-CB 4.23Å; Y194-D331 WeakPolarHBondContact CE1-OD2 3.27Å; Y194-D331 VanDerWaalsContact CZ-OD2 3.26Å; Y194-D331 VanDerWaalsContact OH-CG 3.27Å; Y194-D331 PolarHBondContact OH-OD1 2.85Å; Y194-D331 PolarHBondContact OH-OD2 2.87Å; N219-D331 WeakPolarHBondContact CB-O 3.28Å; N219-D331 PolarHBondContact N-O 2.83Å; T224-D331 WeakPolarHBondContact CA-OD1 3.45Å; T224-D331 PolarHBondContact N-OD1 3.41Å; T224-D331 PolarHBondContact OG1-N 2.9Å; T224-D331 PolarHBondContact OG1-OD1 2.93Å; I226-D331 WeakPolarHBondContact O-CB 3.24Å; I226-D331 PolarHBondContact O-N 3.18Å; I226-D331 VanDerWaalsContact O-OD1 3.09Å; A227-D331 HydrophobicContact CB-CB 4.2Å
332	N	92.2	Very high	85.8	Confident	10 Å²	10	24.8 Å²	24.8	5%	0.053	12%	0.119	C	C	.	.	S	Bend	trans	-123.8	-6.6	-171.1	-49.1	114.6	0	0	0	115.3	A216 P217 G228 W235 G236 T330	A216-N332 HydrophobicContact CB-CB 4.03Å; A216-N332 WeakPolarHBondContact CB-ND2 3.33Å; P217-N332 WeakPolarHBondContact O-CA 3.11Å; P217-N332 WeakPolarHBondContact O-CB 3.19Å; P217-N332 PolarHBondContact O-ND2 3.44Å; G228-N332 PolarHBondContact N-OD1 3.05Å; W235-N332 HydrophobicContact CE3-CB 3.74Å; W235-N332 HydrophobicContact CZ3-CB 3.62Å; G236-N332 WeakPolarHBondContact CA-O 3.37Å; G236-N332 PolarHBondContact N-O 3.27Å; T330-N332 PolarHBondContact O-N 3.19Å; T330-N332 VanDerWaalsContact O-N 3.15Å; T330-N332 PolarHBondContact OG1-N 2.88Å; T330-N332 VanDerWaalsContact OG1-N 3.08Å
333	A	91.6	Very high	85.7	Confident	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	129	176.4	0	0	0	0	0	109.6	R229 L232 G236 A329 T330	R229-A333 WeakPolarHBondContact O-CB 3.28Å; L232-A333 HydrophobicContact CB-CB 4.16Å; L232-A333 HydrophobicContact CD1-CB 3.81Å; L232-A333 WeakPolarHBondContact CD1-O 3.3Å; G236-A333 WeakPolarHBondContact O-CA 3.34Å; A329-A333 CarbonylContact C-O 3.55Å; A329-A333 WeakPolarHBondContact CA-O 3.16Å; T330-A333 PolarHBondContact N-O 3.31Å; T330-A333 PolarHBondContact OG1-N 2.76Å
334	W	91.6	Very high	85.4	Confident	31 Å²	31	15.5 Å²	15.5	12%	0.117	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	167.2	-178.4	61.5	96.2	0	0	0	109.9	P217 K218 N219 P220 G236 E237 N238 Y323	P217-W334 HydrophobicContact CB-CH2 3.76Å; P217-W334 HydrophobicContact CB-CZ3 3.74Å; K218-W334 VanDerWaalsContact C-CZ3 3.46Å; K218-W334 WeakPolarHBondContact O-CH2 3.21Å; K218-W334 WeakPolarHBondContact O-CZ3 3.42Å; N219-W334 VanDerWaalsContact CA-CE3 3.44Å; N219-W334 HydrophobicContact CB-CE3 3.93Å; N219-W334 HydrophobicContact CB-CZ3 4.45Å; P220-W334 VanDerWaalsContact CD-CD2 3.42Å; P220-W334 HydrophobicContact CG-CD2 4.38Å; P220-W334 HydrophobicContact CG-CG 4.36Å; G236-W334 PolarHBondContact O-N 3.49Å; E237-W334 HydrophobicContact CB-CZ2 4.21Å; N238-W334 WeakPolarHBondContact CB-O 3.36Å; N238-W334 PolarHBondContact N-O 3.2Å; N238-W334 PolarHBondContact ND2-O 2.94Å; Y323-W334 HydrophobicContact CD2-CB 4.1Å; Y323-W334 HydrophobicContact CD2-CG 4.46Å; Y323-W334 HydrophobicContact CE2-CB 3.97Å
335	I	88.6	Confident	84.8	Confident	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	140.6	179.3	-69.7	164.6	0	0	0	110	L232 N238 V240 M272 F324 H326	L232-I335 HydrophobicContact CD1-CG1 4.22Å; L232-I335 HydrophobicContact CD2-CD1 3.67Å; L232-I335 HydrophobicContact CD2-CG1 4.02Å; N238-I335 HydrophobicContact CB-CG1 4.05Å; N238-I335 VanDerWaalsContact O-CA 3.3Å; N238-I335 WeakPolarHBondContact O-CA 3.18Å; V240-I335 HydrophobicContact CB-CG2 4.29Å; V240-I335 HydrophobicContact CG1-CG2 3.92Å; V240-I335 HydrophobicContact CG2-CG2 3.42Å; V240-I335 VanDerWaalsContact CG2-CG2 3.42Å; M272-I335 HydrophobicContact CE-CD1 4.46Å; F324-I335 HydrophobicContact CB-CB 4.21Å; F324-I335 HydrophobicContact CB-CG2 3.87Å; F324-I335 HydrophobicContact CD1-CB 4.31Å; F324-I335 HydrophobicContact CD1-CG2 3.89Å; F324-I335 HydrophobicContact CG-CG2 4.23Å; F324-I335 PolarHBondContact N-O 3.29Å; H326-I335 HydrophobicContact CB-CD1 3.7Å; H326-I335 WeakPolarHBondContact CD2-CD1 3.4Å
336	T	88.9	Confident	84	Confident	9 Å²	9	20.5 Å²	20.5	6%	0.055	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	135.2	163.7	58.8	0	0	0	0	108.1	E237 N238 K239 V240 I321 K322	E237-T336 HydrophobicContact CG-CG2 3.45Å; E237-T336 VanDerWaalsContact CG-CG2 3.45Å; E237-T336 WeakPolarHBondContact CG-OG1 3.44Å; E237-T336 WeakPolarHBondContact OE1-CB 3.16Å; E237-T336 VanDerWaalsContact OE1-CG2 3.25Å; E237-T336 WeakPolarHBondContact OE1-CG2 3.46Å; E237-T336 PolarHBondContact OE1-OG1 3.37Å; N238-T336 PolarHBondContact O-N 3.5Å; K239-T336 CarbonylContact C-O 3.59Å; K239-T336 WeakPolarHBondContact CA-O 3.27Å; K239-T336 WeakPolarHBondContact CG-OG1 3.47Å; V240-T336 WeakPolarHBondContact CG2-O 3.47Å; V240-T336 PolarHBondContact N-O 2.88Å; I321-T336 WeakPolarHBondContact O-CA 3.49Å; I321-T336 WeakPolarHBondContact O-CB 3.4Å; K322-T336 WeakPolarHBondContact O-CG2 3.14Å
337	A	87.6	Confident	83.9	Confident	1 Å²	1	21.3 Å²	21.3	1%	0.008	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	132.3	-170.6	0	0	0	0	0	110.9	V240 I242 I321 F324	V240-A337 HydrophobicContact CG2-CB 3.68Å; V240-A337 CarbonylContact O-C 3.6Å; V240-A337 WeakPolarHBondContact O-CA 3.39Å; I242-A337 HydrophobicContact CD1-CB 4.05Å; I321-A337 HydrophobicContact CB-CB 4.29Å; I321-A337 PolarHBondContact N-O 3.06Å; I321-A337 PolarHBondContact O-N 3.32Å; I321-A337 VanDerWaalsContact O-N 3.11Å; F324-A337 HydrophobicContact CB-CB 4.05Å; F324-A337 HydrophobicContact CD2-CB 4.08Å; F324-A337 HydrophobicContact CG-CB 4.07Å
338	N	87.5	Confident	83.8	Confident	36 Å²	36	20.6 Å²	20.6	19%	0.193	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	106	162.5	-70.7	-38.8	0	0	0	108.1	V240 E241 I242 L319 T320 I340	V240-N338 PolarHBondContact O-N 3.42Å; E241-N338 HydrophobicContact CG-CB 4.37Å; I242-N338 PolarHBondContact N-O 2.83Å; L319-N338 CarbonylContact O-C 3.59Å; L319-N338 WeakPolarHBondContact O-CA 3.27Å; T320-N338 WeakPolarHBondContact CB-OD1 3.16Å; T320-N338 PolarHBondContact OG1-OD1 3.41Å; N338-I340 HydrophobicContact CB-CG1 4.46Å; N338-I340 PolarHBondContact O-N 2.8Å
339	I	86.3	Confident	84	Confident	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	119.8	169.6	-56.3	171.7	0	0	0	107.2	F32 I242 I244 K318 L319 I321 V341 L380 L384	F32-I339 HydrophobicContact CD1-CD1 3.39Å; F32-I339 HydrophobicContact CD1-CG1 4.16Å; F32-I339 HydrophobicContact CD2-CD1 4.14Å; F32-I339 HydrophobicContact CE1-CD1 3.25Å; F32-I339 HydrophobicContact CE1-CG1 3.55Å; F32-I339 HydrophobicContact CE2-CD1 4.01Å; F32-I339 HydrophobicContact CG-CD1 3.87Å; F32-I339 HydrophobicContact CZ-CD1 3.59Å; F32-I339 HydrophobicContact CZ-CG1 3.84Å; F32-I339 HydrophobicContact CZ-CG2 4.29Å; I242-I339 WeakPolarHBondContact O-CA 3.44Å; I244-I339 HydrophobicContact CD1-CG2 3.7Å; I244-I339 HydrophobicContact CG1-CG2 4.24Å; K318-I339 CarbonylContact C-O 3.55Å; K318-I339 WeakPolarHBondContact CA-O 3.26Å; L319-I339 HydrophobicContact CB-CB 4.26Å; L319-I339 HydrophobicContact CD2-CD1 4.38Å; L319-I339 PolarHBondContact N-O 3.5Å; L319-I339 PolarHBondContact O-N 2.96Å; I321-I339 HydrophobicContact CD1-CD1 3.4Å; I321-I339 VanDerWaalsContact CD1-CD1 3.4Å; I321-I339 HydrophobicContact CD1-CG1 4Å; I339-V341 HydrophobicContact CG2-CG2 4.39Å; I339-L380 HydrophobicContact CD1-CD2 3.85Å; I339-L384 HydrophobicContact CG2-CD1 4.16Å
340	I	87.3	Confident	84	Confident	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	110.8	-176.1	-52.4	175.4	0	0	0	107.3	E241 I242 P243 I244 M288 A316 K318 N338 I342	E241-I340 HydrophobicContact CB-CD1 4.13Å; E241-I340 HydrophobicContact CG-CD1 4.44Å; I242-I340 PolarHBondContact O-N 3.29Å; P243-I340 CarbonylContact C-O 3.58Å; P243-I340 WeakPolarHBondContact CA-O 3.16Å; I244-I340 PolarHBondContact N-O 2.81Å; M288-I340 HydrophobicContact CE-CD1 3.83Å; M288-I340 HydrophobicContact SD-CD1 4.27Å; A316-I340 HydrophobicContact CB-CG2 3.43Å; A316-I340 VanDerWaalsContact CB-CG2 3.43Å; K318-I340 HydrophobicContact CD-CG1 4.43Å; K318-I340 HydrophobicContact CG-CG1 4.24Å; N338-I340 HydrophobicContact CB-CG1 4.46Å; N338-I340 PolarHBondContact O-N 2.8Å; I340-I342 HydrophobicContact CG2-CD1 4.13Å; I340-I342 HydrophobicContact CG2-CG1 3.91Å
341	V	84.7	Confident	83.7	Confident	6 Å²	6	19.6 Å²	19.6	4%	0.036	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	123.4	176.5	-179.5	0	0	0	0	108.9	I244 I246 T317 I339 V381 L384 L385	I244-V341 HydrophobicContact CB-CG2 4.28Å; I244-V341 HydrophobicContact CD1-CG2 4.4Å; I244-V341 WeakPolarHBondContact O-CA 3.19Å; I246-V341 HydrophobicContact CD1-CG1 4.01Å; T317-V341 PolarHBondContact O-N 3.01Å; I339-V341 HydrophobicContact CG2-CG2 4.39Å; V341-V381 HydrophobicContact CG1-CG1 4.48Å; V341-L384 HydrophobicContact CB-CB 4.24Å; V341-L384 HydrophobicContact CG2-CB 3.81Å; V341-L384 HydrophobicContact CG2-CD1 3.53Å; V341-L384 HydrophobicContact CG2-CG 4.31Å; V341-L385 HydrophobicContact CG1-CD2 3.77Å; V341-L385 HydrophobicContact CG1-CG 4.09Å
342	I	84.3	Confident	83.5	Confident	2 Å²	2	22.6 Å²	22.6	1%	0.01	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	118.8	-177.8	-52	-179.3	0	0	0	108.9	I244 I245 I246 F313 A316 I340 E347 F350	I244-I342 PolarHBondContact O-N 3.34Å; I245-I342 HydrophobicContact CG1-CB 4.43Å; I245-I342 HydrophobicContact CG1-CD1 4.44Å; I246-I342 PolarHBondContact N-O 3.42Å; F313-I342 HydrophobicContact CD1-CD1 3.5Å; F313-I342 VanDerWaalsContact CD1-CD1 3.5Å; F313-I342 HydrophobicContact CE1-CD1 3.49Å; F313-I342 VanDerWaalsContact CE1-CD1 3.49Å; A316-I342 HydrophobicContact CB-CD1 4.46Å; A316-I342 HydrophobicContact CB-CG1 3.84Å; I340-I342 HydrophobicContact CG2-CD1 4.13Å; I340-I342 HydrophobicContact CG2-CG1 3.91Å; I342-E347 HydrophobicContact CG2-CB 3.91Å; I342-E347 HydrophobicContact CG2-CG 4Å; I342-F350 HydrophobicContact CB-CE2 4.47Å; I342-F350 HydrophobicContact CD1-CE1 4.15Å; I342-F350 HydrophobicContact CD1-CE2 3.63Å; I342-F350 HydrophobicContact CD1-CZ 3.4Å; I342-F350 HydrophobicContact CG2-CD2 3.61Å; I342-F350 HydrophobicContact CG2-CE2 3.58Å; I342-F350 HydrophobicContact CG2-CG 4.44Å; I342-F350 HydrophobicContact CG2-CZ 4.37Å
343	A	79.1	Confident	83.5	Confident	20 Å²	20	23 Å²	23	17%	0.165	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	122.8	167.2	0	0	0	0	0	109	I246 C345 D346 E347	I246-A343 WeakPolarHBondContact O-CA 3.24Å; A343-C345 PolarHBondContact O-N 3.4Å; A343-C345 VanDerWaalsContact O-N 3.1Å; A343-D346 PolarHBondContact O-N 3.08Å; A343-D346 VanDerWaalsContact O-N 3.09Å; A343-E347 PolarHBondContact O-N 3.1Å
344	T	74.8	Confident	83.4	Confident	2 Å²	2	25.7 Å²	25.7	1%	0.012	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-11.9	-177.2	73.6	0	0	0	0	113.6	I245 I246 K247 D346 E347 F350 N351 W366	I245-T344 HydrophobicContact CG2-CG2 3.63Å; I246-T344 PolarHBondContact O-N 2.95Å; K247-T344 WeakPolarHBondContact CA-OG1 3.37Å; K247-T344 HydrophobicContact CB-CG2 4.26Å; T344-D346 VanDerWaalsContact C-N 3.34Å; T344-E347 CarbonylContact O-C 3.49Å; T344-F350 HydrophobicContact CG2-CB 3.58Å; T344-N351 WeakPolarHBondContact CB-OD1 3.28Å; T344-N351 PolarHBondContact O-ND2 2.95Å; T344-N351 PolarHBondContact OG1-OD1 3.43Å; T344-W366 HydrophobicContact CG2-CH2 3.99Å
345	C	66	Low	83.4	Confident	66 Å²	66	26 Å²	26	45%	0.446	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-35.5	172.2	-56.9	0	0	0	0	112.1	A248 A343	A248-C345 PolarHBondContact O-SG 3.17Å; A248-C345 VanDerWaalsContact O-SG 3.33Å; A343-C345 PolarHBondContact O-N 3.4Å; A343-C345 VanDerWaalsContact O-N 3.1Å
346	D	59.5	Low	83.3	Confident	82 Å²	82	33 Å²	33	44%	0.439	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-28.2	179.5	-57.8	-33.6	0	0	0	111	C11 A343 T344	C11-D346 PolarHBondContact SG-OD1 3.38Å; A343-D346 PolarHBondContact O-N 3.08Å; A343-D346 VanDerWaalsContact O-N 3.09Å; T344-D346 VanDerWaalsContact C-N 3.34Å
347	E	75.3	Confident	83.1	Confident	33 Å²	33	35.3 Å²	35.3	15%	0.154	19%	0.191	C	C	.	.			trans	-123.1	92.5	-175.7	-62.3	-61.8	172.4	0	0	111.6	S312 S315 I342 A343 T344 C349 F350	S312-E347 WeakPolarHBondContact CA-OE2 3.26Å; S312-E347 VanDerWaalsContact CB-CD 3.41Å; S312-E347 WeakPolarHBondContact CB-OE2 3.28Å; S312-E347 PolarHBondContact OG-OE2 3.23Å; S315-E347 PolarHBondContact OG-OE1 2.82Å; I342-E347 HydrophobicContact CG2-CB 3.91Å; I342-E347 HydrophobicContact CG2-CG 4Å; A343-E347 PolarHBondContact O-N 3.1Å; T344-E347 CarbonylContact O-C 3.49Å; E347-C349 PolarHBondContact O-N 3.47Å; E347-C349 VanDerWaalsContact O-N 3.16Å; E347-F350 HydrophobicContact CB-CD2 3.84Å; E347-F350 HydrophobicContact CB-CE2 4.1Å; E347-F350 PolarHBondContact O-N 3.25Å
348	P	75.2	Confident	82.8	Confident	41 Å²	41	41 Å²	41	27%	0.266	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-67.1	-21.5	-169.3	25.2	-34.2	0	0	0	113.9	F350 N351 Y352	P348-F350 PolarHBondContact O-N 2.89Å; P348-N351 WeakPolarHBondContact O-CB 3.14Å; P348-N351 PolarHBondContact O-N 3.4Å; P348-Y352 HydrophobicContact CB-CE2 4.36Å
349	C	88.7	Confident	82.6	Confident	0 Å²	0	40 Å²	40	0%	0	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-50.4	-39.8	176	-86.3	0	0	0	0	112.9	C304 L309 E347 N351 Y352	C304-C349 HydrophobicContact CB-CB 4.01Å; C304-C349 WeakPolarHBondContact CB-SG 3.27Å; C304-C349 VanDerWaalsContact SG-CA 3.6Å; C304-C349 WeakPolarHBondContact SG-CB 3.46Å; C304-C349 CovalentContact SG-SG 2.03Å; C304-C349 PolarHBondContact SG-SG 3.26Å; L309-C349 HydrophobicContact CD1-CB 3.71Å; E347-C349 PolarHBondContact O-N 3.47Å; E347-C349 VanDerWaalsContact O-N 3.16Å; C349-N351 VanDerWaalsContact C-N 3.27Å; C349-N351 PolarHBondContact O-N 3.44Å; C349-Y352 WeakPolarHBondContact O-CB 3.41Å; C349-Y352 PolarHBondContact O-N 3.06Å; C349-Y352 VanDerWaalsContact O-N 3.11Å
350	F	88.8	Confident	82.6	Confident	1 Å²	1	40.8 Å²	40.8	0%	0.004	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-76.3	-13.4	-178.5	-62.3	-79.2	0	0	0	113.8	I245 Y292 L309 F313 I342 T344 E347 P348 Y352 L353	I245-F350 HydrophobicContact CD1-CD1 3.53Å; I245-F350 HydrophobicContact CD1-CE1 3.61Å; I245-F350 HydrophobicContact CG1-CD1 3.98Å; I245-F350 HydrophobicContact CG1-CE1 4.09Å; I245-F350 HydrophobicContact CG2-CB 3.86Å; I245-F350 HydrophobicContact CG2-CD1 4Å; I245-F350 HydrophobicContact CG2-CG 4Å; Y292-F350 HydrophobicContact CD1-CD1 4.48Å; Y292-F350 HydrophobicContact CD1-CE1 4.2Å; Y292-F350 HydrophobicContact CG-CE1 4.3Å; L309-F350 HydrophobicContact CD1-CE1 4.07Å; L309-F350 HydrophobicContact CD1-CE2 4.18Å; L309-F350 HydrophobicContact CD1-CZ 3.77Å; F313-F350 HydrophobicContact CD1-CZ 4.23Å; F313-F350 HydrophobicContact CE1-CE1 4.01Å; F313-F350 AromaticContact CE1-CZ 3.59Å; F313-F350 HydrophobicContact CE1-CZ 3.59Å; F313-F350 HydrophobicContact CE2-CE1 4.47Å; F313-F350 HydrophobicContact CE2-CZ 4.01Å; F313-F350 AromaticContact CZ-CE1 3.69Å; F313-F350 HydrophobicContact CZ-CE1 3.69Å; F313-F350 AromaticContact CZ-CZ 3.47Å; F313-F350 HydrophobicContact CZ-CZ 3.47Å; F313-F350 VanDerWaalsContact CZ-CZ 3.47Å; I342-F350 HydrophobicContact CB-CE2 4.47Å; I342-F350 HydrophobicContact CD1-CE1 4.15Å; I342-F350 HydrophobicContact CD1-CE2 3.63Å; I342-F350 HydrophobicContact CD1-CZ 3.4Å; I342-F350 HydrophobicContact CG2-CD2 3.61Å; I342-F350 HydrophobicContact CG2-CE2 3.58Å; I342-F350 HydrophobicContact CG2-CG 4.44Å; I342-F350 HydrophobicContact CG2-CZ 4.37Å; T344-F350 HydrophobicContact CG2-CB 3.58Å; E347-F350 HydrophobicContact CB-CD2 3.84Å; E347-F350 HydrophobicContact CB-CE2 4.1Å; E347-F350 PolarHBondContact O-N 3.25Å; P348-F350 PolarHBondContact O-N 2.89Å; F350-Y352 VanDerWaalsContact C-N 3.28Å; F350-L353 HydrophobicContact CD1-CD1 4.16Å
351	N	85.5	Confident	82.3	Confident	67 Å²	67	47 Å²	47	36%	0.358	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-78.4	-15.4	169.3	-64.4	-47.7	0	0	0	112.3	T344 P348 C349	T344-N351 WeakPolarHBondContact CB-OD1 3.28Å; T344-N351 PolarHBondContact O-ND2 2.95Å; T344-N351 PolarHBondContact OG1-OD1 3.43Å; P348-N351 WeakPolarHBondContact O-CB 3.14Å; P348-N351 PolarHBondContact O-N 3.4Å; C349-N351 VanDerWaalsContact C-N 3.27Å; C349-N351 PolarHBondContact O-N 3.44Å
352	Y	90.4	Very high	82.3	Confident	68 Å²	68	49.1 Å²	49.1	27%	0.267	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-97.8	8.4	-178	-54.6	-36.3	0	0	0	113.8	A297 Q300 N303 C304 P348 C349 F350 D354	A297-Y352 PolarHBondContact N-O 2.98Å; Q300-Y352 HydrophobicContact CB-CD1 4.27Å; Q300-Y352 HydrophobicContact CB-CD2 4.09Å; Q300-Y352 HydrophobicContact CB-CG 3.76Å; Q300-Y352 HydrophobicContact CG-CD1 3.92Å; Q300-Y352 HydrophobicContact CG-CG 3.91Å; N303-Y352 HydrophobicContact CB-CD2 4.46Å; N303-Y352 HydrophobicContact CB-CE2 3.83Å; C304-Y352 HydrophobicContact CB-CD2 3.91Å; C304-Y352 HydrophobicContact CB-CE2 4.46Å; P348-Y352 HydrophobicContact CB-CE2 4.36Å; C349-Y352 WeakPolarHBondContact O-CB 3.41Å; C349-Y352 PolarHBondContact O-N 3.06Å; C349-Y352 VanDerWaalsContact O-N 3.11Å; F350-Y352 VanDerWaalsContact C-N 3.28Å; Y352-D354 PolarHBondContact O-N 3.27Å
353	L	90.8	Very high	82.3	Confident	19 Å²	19	53.4 Å²	53.4	10%	0.099	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-69.5	125	176.1	-60.5	178.4	0	0	0	110.3	L256 Y292 M295 V296 F350 L355	L256-L353 HydrophobicContact CD2-CD1 3.87Å; Y292-L353 HydrophobicContact CD1-CD1 4.07Å; Y292-L353 HydrophobicContact CD1-CD2 4.34Å; Y292-L353 HydrophobicContact CE1-CD1 4.39Å; M295-L353 HydrophobicContact CB-CD2 4.09Å; M295-L353 CarbonylContact O-C 3.34Å; M295-L353 WeakPolarHBondContact O-CA 3.33Å; V296-L353 HydrophobicContact CG2-CD2 4.13Å; F350-L353 HydrophobicContact CD1-CD1 4.16Å; L353-L355 HydrophobicContact CB-CD2 4.22Å
354	D	90.4	Very high	82.9	Confident	56 Å²	56	52.8 Å²	52.8	30%	0.299	28%	0.28	S	S	.	.			trans	-93.9	109.6	166.2	-173.9	-2.6	0	0	0	109.4	M295 A297 Y352 N356 E357	M295-D354 PolarHBondContact O-N 3.41Å; A297-D354 HydrophobicContact CB-CB 4.08Å; Y352-D354 PolarHBondContact O-N 3.27Å; D354-N356 PolarHBondContact O-N 2.88Å; D354-N356 WeakPolarHBondContact OD1-CB 3.41Å; D354-N356 PolarHBondContact OD1-N 3.38Å; D354-N356 PolarHBondContact OD1-ND2 2.87Å; D354-E357 HydrophobicContact CB-CG 3.95Å; D354-E357 PolarHBondContact O-N 3Å
355	L	91	Very high	83.5	Confident	36 Å²	36	58 Å²	58	19%	0.188	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-3.9	-178.4	-53.7	-174	0	0	0	113.1	L256 L353 N360 W366	L256-L355 HydrophobicContact CD1-CD1 3.87Å; L256-L355 HydrophobicContact CD1-CD2 3.89Å; L353-L355 HydrophobicContact CB-CD2 4.22Å; L355-N360 PolarHBondContact O-ND2 2.95Å; L355-W366 HydrophobicContact CD1-CG 4.42Å
356	N	87	Confident	84.6	Confident	149 Å²	149	58 Å²	58	80%	0.797	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-7.6	174	-59.1	-49.4	0	0	0	113.2	D354	D354-N356 PolarHBondContact O-N 2.88Å; D354-N356 WeakPolarHBondContact OD1-CB 3.41Å; D354-N356 PolarHBondContact OD1-N 3.38Å; D354-N356 PolarHBondContact OD1-ND2 2.87Å
357	E	83.8	Confident	85.7	Confident	57 Å²	57	55.5 Å²	55.5	27%	0.266	28%	0.276	S	S	.	.	S	Bend	trans	-61.2	144.7	178.2	-80.7	-73.6	-173.9	0	0	111.7	D354 S359 N360	D354-E357 HydrophobicContact CB-CG 3.95Å; D354-E357 PolarHBondContact O-N 3Å; E357-S359 WeakPolarHBondContact CB-OG 3.47Å; E357-S359 PolarHBondContact O-N 3.27Å; E357-S359 VanDerWaalsContact O-N 3.14Å; E357-N360 VanDerWaalsContact O-CB 3.26Å; E357-N360 WeakPolarHBondContact O-CB 3.27Å; E357-N360 PolarHBondContact O-N 3.21Å
358	S	82.4	Confident	85.8	Confident	119 Å²	119	60.1 Å²	60.1	83%	0.832	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-20.2	178	60.1	0	0	0	0	113	N360	S358-N360 PolarHBondContact O-N 3.08Å
359	S	83.3	Confident	85.8	Confident	15 Å²	15	58.7 Å²	58.7	11%	0.105	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-14.4	173	58	0	0	0	0	113.8	E294 E357 K361	E294-S359 VanDerWaalsContact C-OG 3.25Å; E294-S359 WeakPolarHBondContact O-CB 3.27Å; E294-S359 PolarHBondContact O-OG 3.36Å; E357-S359 WeakPolarHBondContact CB-OG 3.47Å; E357-S359 PolarHBondContact O-N 3.27Å; E357-S359 VanDerWaalsContact O-N 3.14Å; S359-K361 PolarHBondContact O-N 3.34Å
360	N	87.1	Confident	84.8	Confident	17 Å²	17	62.4 Å²	62.4	9%	0.091	30%	0.304	C	S	.	.			trans	-71.9	60.7	173.9	-173.2	11.3	0	0	0	112.1	M295 L355 E357 S358 F362 Q363 Y364	M295-N360 HydrophobicContact CG-CB 4.49Å; M295-N360 HydrophobicContact SD-CB 4.03Å; L355-N360 PolarHBondContact O-ND2 2.95Å; E357-N360 VanDerWaalsContact O-CB 3.26Å; E357-N360 WeakPolarHBondContact O-CB 3.27Å; E357-N360 PolarHBondContact O-N 3.21Å; S358-N360 PolarHBondContact O-N 3.08Å; N360-F362 PolarHBondContact O-N 3.08Å; N360-Q363 PolarHBondContact O-N 3.43Å; N360-Q363 WeakPolarHBondContact OD1-CA 3.14Å; N360-Q363 PolarHBondContact OD1-N 3.31Å; N360-Q363 VanDerWaalsContact OD1-N 3.15Å; N360-Y364 PolarHBondContact ND2-N 2.92Å; N360-Y364 VanDerWaalsContact ND2-N 3.14Å; N360-Y364 PolarHBondContact ND2-O 2.9Å; N360-Y364 WeakPolarHBondContact OD1-CD2 3.41Å; N360-Y364 PolarHBondContact OD1-N 2.67Å
361	K	81.2	Confident	83.8	Confident	130 Å²	130	68.2 Å²	68.2	57%	0.565	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-34.4	-177.4	-64.8	177	-171.3	168.2	0	112.8	E286 S359 Q363	E286-K361 IonicContact OE1-NZ 3.24Å; E286-K361 IonicContact OE2-NZ 2.66Å; E286-K361 PolarHBondContact OE2-NZ 3.41Å; S359-K361 PolarHBondContact O-N 3.34Å; K361-Q363 VanDerWaalsContact C-N 3.27Å; K361-Q363 PolarHBondContact O-N 3.08Å
362	F	83.4	Confident	83.2	Confident	51 Å²	51	65.3 Å²	65.3	22%	0.224	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86	3.8	179	-58.8	-67.8	0	0	0	113.9	R258 G259 P271 F273 H291 N360 Y364	R258-F362 HydrophobicContact CG-CB 3.99Å; G259-F362 PolarHBondContact N-O 3.38Å; P271-F362 HydrophobicContact CB-CD2 4.38Å; P271-F362 HydrophobicContact CB-CE2 4.25Å; F273-F362 HydrophobicContact CE1-CE2 4.26Å; F273-F362 HydrophobicContact CZ-CE2 4.17Å; H291-F362 AromaticContact CE1-CD2 3.51Å; H291-F362 AromaticContact CE1-CE2 3.61Å; H291-F362 AromaticContact NE2-CD2 3.3Å; H291-F362 VanDerWaalsContact NE2-CD2 3.3Å; H291-F362 WeakPolarHBondContact NE2-CD2 3.45Å; H291-F362 AromaticContact NE2-CE2 3.58Å; N360-F362 PolarHBondContact O-N 3.08Å; F362-Y364 VanDerWaalsContact C-N 3.27Å; F362-Y364 HydrophobicContact CB-CD1 4.4Å; F362-Y364 HydrophobicContact CB-CD2 4.36Å; F362-Y364 HydrophobicContact CB-CE1 3.99Å; F362-Y364 HydrophobicContact CB-CE2 3.94Å; F362-Y364 HydrophobicContact CD2-CE1 4.49Å; F362-Y364 AromaticContact CD2-CE2 3.89Å; F362-Y364 HydrophobicContact CD2-CE2 3.89Å; F362-Y364 AromaticContact CD2-CZ 3.59Å; F362-Y364 WeakPolarHBondContact CD2-OH 3.39Å; F362-Y364 HydrophobicContact CG-CE2 4.42Å; F362-Y364 PolarHBondContact O-N 2.99Å
363	Q	84.3	Confident	82.2	Confident	92 Å²	92	63.6 Å²	63.6	43%	0.43	32%	0.316	S	S	.	.			trans	52.6	42.6	179.4	-57.3	-179	-3.6	0	0	112.4	G259 R260 N360 K361	G259-Q363 WeakPolarHBondContact CA-O 3.06Å; G259-Q363 PolarHBondContact N-O 2.91Å; R260-Q363 VanDerWaalsContact CG-OE1 3.29Å; N360-Q363 PolarHBondContact O-N 3.43Å; N360-Q363 WeakPolarHBondContact OD1-CA 3.14Å; N360-Q363 PolarHBondContact OD1-N 3.31Å; N360-Q363 VanDerWaalsContact OD1-N 3.15Å; K361-Q363 VanDerWaalsContact C-N 3.27Å; K361-Q363 PolarHBondContact O-N 3.08Å
364	Y	91.3	Very high	81.2	Confident	7 Å²	7	62.7 Å²	62.7	3%	0.027	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.3	148.6	-177	-62.7	-71.2	0	0	0	112.8	L256 M257 R258 P271 H291 M295 N360 F362	L256-Y364 HydrophobicContact CD1-CG 4.48Å; L256-Y364 HydrophobicContact CD2-CD1 4.46Å; L256-Y364 HydrophobicContact CD2-CG 4.3Å; L256-Y364 HydrophobicContact CG-CD1 4.18Å; L256-Y364 HydrophobicContact CG-CG 4.17Å; M257-Y364 CarbonylContact O-C 3.52Å; M257-Y364 WeakPolarHBondContact O-CA 3.4Å; R258-Y364 HydrophobicContact CG-CD1 4.23Å; R258-Y364 HydrophobicContact CG-CE1 3.95Å; P271-Y364 HydrophobicContact CB-CE1 4.31Å; P271-Y364 WeakPolarHBondContact CB-OH 3.33Å; P271-Y364 HydrophobicContact CG-CE1 3.88Å; P271-Y364 WeakPolarHBondContact CG-OH 3.48Å; H291-Y364 AromaticContact NE2-CE2 3.28Å; H291-Y364 VanDerWaalsContact NE2-CE2 3.28Å; H291-Y364 WeakPolarHBondContact NE2-CE2 3.17Å; H291-Y364 AromaticContact NE2-CZ 3.78Å; H291-Y364 PolarHBondContact NE2-OH 3.46Å; M295-Y364 HydrophobicContact CE-CD2 3.88Å; M295-Y364 HydrophobicContact CE-CE2 3.61Å; M295-Y364 HydrophobicContact SD-CD2 3.62Å; M295-Y364 HydrophobicContact SD-CE2 3.78Å; N360-Y364 PolarHBondContact ND2-N 2.92Å; N360-Y364 VanDerWaalsContact ND2-N 3.14Å; N360-Y364 PolarHBondContact ND2-O 2.9Å; N360-Y364 WeakPolarHBondContact OD1-CD2 3.41Å; N360-Y364 PolarHBondContact OD1-N 2.67Å; F362-Y364 VanDerWaalsContact C-N 3.27Å; F362-Y364 HydrophobicContact CB-CD1 4.4Å; F362-Y364 HydrophobicContact CB-CD2 4.36Å; F362-Y364 HydrophobicContact CB-CE1 3.99Å; F362-Y364 HydrophobicContact CB-CE2 3.94Å; F362-Y364 HydrophobicContact CD2-CE1 4.49Å; F362-Y364 AromaticContact CD2-CE2 3.89Å; F362-Y364 HydrophobicContact CD2-CE2 3.89Å; F362-Y364 AromaticContact CD2-CZ 3.59Å; F362-Y364 WeakPolarHBondContact CD2-OH 3.39Å; F362-Y364 HydrophobicContact CG-CE2 4.42Å; F362-Y364 PolarHBondContact O-N 2.99Å
365	R	87.4	Confident	80	Confident	111 Å²	111	63.9 Å²	63.9	42%	0.419	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	152.2	171.7	63.2	-179.4	-177	-130.1	-9	110.6	M257 G259 E367	M257-R365 PolarHBondContact N-O 3.27Å; M257-R365 PolarHBondContact O-N 3.25Å; G259-R365 PolarHBondContact O-NH1 3.31Å; R365-E367 HydrophobicContact CG-CG 4.07Å; R365-E367 IonicContact CZ-OE1 3.89Å; R365-E367 IonicContact NE-OE1 3.13Å; R365-E367 PolarHBondContact NE-OE1 3.33Å; R365-E367 IonicContact NH2-OE1 3.2Å; R365-E367 PolarHBondContact NH2-OE1 3.33Å
366	W	88.9	Confident	78.6	Confident	66 Å²	66	65.2 Å²	65.2	25%	0.25	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	121.7	168.9	-69.1	105	0	0	0	109.8	I245 K247 E254 L256 T344 L355	I245-W366 HydrophobicContact CG2-CH2 3.84Å; I245-W366 HydrophobicContact CG2-CZ3 4.44Å; K247-W366 HydrophobicContact CB-CE3 3.95Å; K247-W366 HydrophobicContact CB-CH2 3.72Å; K247-W366 HydrophobicContact CB-CZ2 4.4Å; K247-W366 HydrophobicContact CB-CZ3 3.47Å; K247-W366 VanDerWaalsContact CB-CZ3 3.47Å; K247-W366 HydrophobicContact CD-CZ2 4.41Å; E254-W366 HydrophobicContact CB-CB 4.41Å; E254-W366 HydrophobicContact CB-CE3 4.02Å; L256-W366 HydrophobicContact CB-CE3 4.14Å; L256-W366 HydrophobicContact CB-CH2 4.08Å; L256-W366 HydrophobicContact CB-CZ3 3.86Å; L256-W366 HydrophobicContact CD1-CD2 4.04Å; L256-W366 HydrophobicContact CD1-CE3 4.41Å; L256-W366 HydrophobicContact CD1-CG 4.45Å; L256-W366 HydrophobicContact CD1-CZ2 4.14Å; T344-W366 HydrophobicContact CG2-CH2 3.99Å; L355-W366 HydrophobicContact CD1-CG 4.42Å
367	E	83.8	Confident	77.6	Confident	31 Å²	31	58.4 Å²	58.4	15%	0.145	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	145.1	173.1	-65.6	-170.8	-179.5	0	0	110.5	E254 V255 M257 R365 F369	E254-E367 CarbonylContact C-O 3.42Å; E254-E367 WeakPolarHBondContact CA-O 3.34Å; V255-E367 PolarHBondContact N-O 2.93Å; V255-E367 PolarHBondContact O-N 2.67Å; M257-E367 HydrophobicContact CB-CG 4.06Å; M257-E367 HydrophobicContact CG-CB 3.97Å; M257-E367 HydrophobicContact CG-CG 3.93Å; R365-E367 HydrophobicContact CG-CG 4.07Å; R365-E367 IonicContact CZ-OE1 3.89Å; R365-E367 IonicContact NE-OE1 3.13Å; R365-E367 PolarHBondContact NE-OE1 3.33Å; R365-E367 IonicContact NH2-OE1 3.2Å; R365-E367 PolarHBondContact NH2-OE1 3.33Å; E367-F369 PolarHBondContact O-N 3.38Å
368	K	76.9	Confident	76.7	Confident	129 Å²	129	56 Å²	56	56%	0.561	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.2	130.3	172.4	-71.8	173.5	179.2	173.2	0	108.7	N370 D371 S372	K368-N370 PolarHBondContact O-N 3.11Å; K368-N370 VanDerWaalsContact O-N 3.09Å; K368-D371 HydrophobicContact CB-CB 4.15Å; K368-D371 VanDerWaalsContact CD-OD2 3.22Å; K368-D371 WeakPolarHBondContact CD-OD2 3.43Å; K368-D371 CarbonylContact O-C 3.5Å; K368-D371 PolarHBondContact O-N 3.36Å; K368-S372 WeakPolarHBondContact O-CB 3.31Å; K368-S372 PolarHBondContact O-N 2.71Å
369	F	74.7	Confident	75.8	Confident	11 Å²	11	53.6 Å²	53.6	5%	0.048	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-41.5	-177.4	-178.7	-90.8	0	0	0	112.9	A3 A253 E367 D371 S372 I374 Y375 V381	A3-F369 HydrophobicContact CB-CE1 4.11Å; A253-F369 HydrophobicContact CB-CB 3.99Å; A253-F369 WeakPolarHBondContact O-CB 3.26Å; A253-F369 PolarHBondContact O-N 3.31Å; E367-F369 PolarHBondContact O-N 3.38Å; F369-D371 VanDerWaalsContact C-N 3.31Å; F369-D371 PolarHBondContact O-N 3.38Å; F369-S372 PolarHBondContact O-N 2.75Å; F369-S372 PolarHBondContact O-OG 3.38Å; F369-I374 HydrophobicContact CD2-CG2 4.42Å; F369-I374 HydrophobicContact CE2-CG2 3.87Å; F369-Y375 HydrophobicContact CD1-CD2 4.08Å; F369-Y375 AromaticContact CE1-CD2 3.89Å; F369-Y375 HydrophobicContact CE1-CD2 3.89Å; F369-Y375 HydrophobicContact CE1-CE2 4.5Å; F369-Y375 WeakPolarHBondContact O-CB 3.46Å; F369-V381 HydrophobicContact CE2-CB 4.5Å; F369-V381 HydrophobicContact CE2-CG1 4.13Å
370	N	68.5	Low	75	Confident	78 Å²	78	53 Å²	53	42%	0.417	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-21.3	179.8	-65.2	-26	0	0	0	114.6	K368	K368-N370 PolarHBondContact O-N 3.11Å; K368-N370 VanDerWaalsContact O-N 3.09Å
371	D	67.1	Low	74	Confident	123 Å²	123	52.2 Å²	52.2	66%	0.658	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101	-13.9	-179.6	-58	-33.2	0	0	0	111.3	K368 F369	K368-D371 HydrophobicContact CB-CB 4.15Å; K368-D371 VanDerWaalsContact CD-OD2 3.22Å; K368-D371 WeakPolarHBondContact CD-OD2 3.43Å; K368-D371 CarbonylContact O-C 3.5Å; K368-D371 PolarHBondContact O-N 3.36Å; F369-D371 VanDerWaalsContact C-N 3.31Å; F369-D371 PolarHBondContact O-N 3.38Å
372	S	72.7	Confident	73.2	Confident	6 Å²	6	47 Å²	47	4%	0.042	22%	0.221	C	C	.	.	S	Bend	trans	-78	152.4	178	73.5	0	0	0	0	112.1	V255 K368 F369 I374 Y375	V255-S372 WeakPolarHBondContact CG1-OG 3.14Å; K368-S372 WeakPolarHBondContact O-CB 3.31Å; K368-S372 PolarHBondContact O-N 2.71Å; F369-S372 PolarHBondContact O-N 2.75Å; F369-S372 PolarHBondContact O-OG 3.38Å; S372-I374 PolarHBondContact O-N 3.23Å; S372-Y375 WeakPolarHBondContact O-CB 3.39Å; S372-Y375 PolarHBondContact O-N 3.5Å
373	D	69.6	Low	72.2	Confident	32 Å²	32	46.2 Å²	46.2	17%	0.171	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-54.3	-30.8	170.4	-100.5	4.4	0	0	0	112.6	F35 M257 Y261 K263 Y375 D376	F35-D373 HydrophobicContact CE2-CB 3.57Å; F35-D373 WeakPolarHBondContact CE2-O 3.42Å; F35-D373 HydrophobicContact CZ-CB 3.79Å; M257-D373 HydrophobicContact CE-CB 4.34Å; Y261-D373 VanDerWaalsContact OH-CG 3.31Å; Y261-D373 PolarHBondContact OH-OD2 2.87Å; K263-D373 WeakPolarHBondContact CE-OD2 3.26Å; K263-D373 IonicContact NZ-OD1 2.84Å; K263-D373 PolarHBondContact NZ-OD1 2.82Å; K263-D373 IonicContact NZ-OD2 3.79Å; K263-D373 PolarHBondContact NZ-OD2 2.98Å; D373-Y375 PolarHBondContact O-N 2.85Å; D373-Y375 VanDerWaalsContact O-N 3.12Å; D373-D376 PolarHBondContact O-N 2.98Å; D373-D376 VanDerWaalsContact O-N 3.16Å
374	I	71.2	Confident	71.1	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-61.6	-21.4	176.2	-63	-68.6	0	0	0	112.8	F35 I244 V255 M257 L270 F369 S372 D376 I377 G378 V381	F35-I374 HydrophobicContact CE1-CD1 3.6Å; F35-I374 HydrophobicContact CZ-CD1 3.66Å; F35-I374 HydrophobicContact CZ-CG1 4.27Å; I244-I374 HydrophobicContact CG2-CG2 4.5Å; V255-I374 HydrophobicContact CG1-CB 4.42Å; V255-I374 HydrophobicContact CG1-CG1 4.39Å; V255-I374 HydrophobicContact CG2-CG1 4.15Å; M257-I374 HydrophobicContact CE-CD1 4.18Å; M257-I374 HydrophobicContact CE-CG1 3.62Å; M257-I374 HydrophobicContact SD-CD1 4.2Å; M257-I374 HydrophobicContact SD-CG1 3.34Å; M257-I374 WeakPolarHBondContact SD-CG1 3.24Å; L270-I374 HydrophobicContact CD1-CD1 3.57Å; L270-I374 HydrophobicContact CD2-CD1 3.74Å; L270-I374 HydrophobicContact CD2-CG1 4.4Å; L270-I374 HydrophobicContact CG-CD1 3.74Å; F369-I374 HydrophobicContact CD2-CG2 4.42Å; F369-I374 HydrophobicContact CE2-CG2 3.87Å; S372-I374 PolarHBondContact O-N 3.23Å; I374-D376 PolarHBondContact O-N 2.97Å; I374-D376 VanDerWaalsContact O-N 3.17Å; I374-I377 HydrophobicContact CD1-CD1 3.81Å; I374-I377 HydrophobicContact CD1-CG1 4.41Å; I374-I377 HydrophobicContact CG2-CD1 4.3Å; I374-I377 HydrophobicContact CG2-CG1 4.13Å; I374-I377 CarbonylContact O-C 3.58Å; I374-I377 WeakPolarHBondContact O-CG1 2.94Å; I374-I377 PolarHBondContact O-N 2.87Å; I374-G378 PolarHBondContact O-N 3.49Å; I374-G378 VanDerWaalsContact O-N 3.16Å; I374-V381 HydrophobicContact CG2-CG2 3.83Å
375	Y	64.7	Low	69.8	Low	81 Å²	81	43 Å²	43	32%	0.318	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-55.8	-34	175.7	-172.5	-102.4	0	0	0	112.3	F369 S372 D373 I377 G378 T758	F369-Y375 HydrophobicContact CD1-CD2 4.08Å; F369-Y375 AromaticContact CE1-CD2 3.89Å; F369-Y375 HydrophobicContact CE1-CD2 3.89Å; F369-Y375 HydrophobicContact CE1-CE2 4.5Å; F369-Y375 WeakPolarHBondContact O-CB 3.46Å; S372-Y375 WeakPolarHBondContact O-CB 3.39Å; S372-Y375 PolarHBondContact O-N 3.5Å; D373-Y375 PolarHBondContact O-N 2.85Å; D373-Y375 VanDerWaalsContact O-N 3.12Å; Y375-I377 PolarHBondContact O-N 3.04Å; Y375-G378 PolarHBondContact O-N 2.95Å; Y375-T758 HydrophobicContact CD1-CG2 3.81Å; Y375-T758 HydrophobicContact CE1-CG2 3.54Å
376	D	61.2	Low	68.2	Low	65 Å²	65	42.4 Å²	42.4	35%	0.348	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-67.4	-20.4	-179.4	-75.8	-20.5	0	0	0	113.2	R31 D373 I374	R31-D376 PolarHBondContact NE-O 2.86Å; R31-D376 VanDerWaalsContact NE-O 3.09Å; R31-D376 PolarHBondContact NH2-O 3.31Å; D373-D376 PolarHBondContact O-N 2.98Å; D373-D376 VanDerWaalsContact O-N 3.16Å; I374-D376 PolarHBondContact O-N 2.97Å; I374-D376 VanDerWaalsContact O-N 3.17Å
377	I	65.5	Low	66.1	Low	6 Å²	6	43.3 Å²	43.3	3%	0.031	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-111.1	17.7	172.6	60.2	165.1	0	0	0	111.5	F32 F35 I244 I374 Y375 D379 L380 V381	F32-I377 HydrophobicContact CD2-CB 4.41Å; F32-I377 HydrophobicContact CD2-CD1 3.35Å; F32-I377 HydrophobicContact CD2-CG1 4.46Å; F32-I377 HydrophobicContact CD2-CG2 4.17Å; F32-I377 HydrophobicContact CE2-CD1 3.25Å; F35-I377 HydrophobicContact CB-CG2 4.17Å; F35-I377 HydrophobicContact CD1-CD1 4.16Å; F35-I377 HydrophobicContact CE1-CD1 4.15Å; F35-I377 HydrophobicContact CG-CG2 4.18Å; I244-I377 HydrophobicContact CD1-CD1 4.37Å; I374-I377 HydrophobicContact CD1-CD1 3.81Å; I374-I377 HydrophobicContact CD1-CG1 4.41Å; I374-I377 HydrophobicContact CG2-CD1 4.3Å; I374-I377 HydrophobicContact CG2-CG1 4.13Å; I374-I377 CarbonylContact O-C 3.58Å; I374-I377 WeakPolarHBondContact O-CG1 2.94Å; I374-I377 PolarHBondContact O-N 2.87Å; Y375-I377 PolarHBondContact O-N 3.04Å; I377-D379 PolarHBondContact O-N 2.78Å; I377-L380 HydrophobicContact CB-CB 4.5Å; I377-L380 WeakPolarHBondContact O-CA 3.23Å; I377-L380 VanDerWaalsContact O-CB 3.28Å; I377-L380 WeakPolarHBondContact O-CB 2.95Å; I377-L380 PolarHBondContact O-N 2.89Å; I377-V381 HydrophobicContact CD1-CG2 4.47Å; I377-V381 HydrophobicContact CG1-CG2 4.45Å; I377-V381 PolarHBondContact O-N 2.89Å
378	G	66.7	Low	63.7	Low	6 Å²	6	44.7 Å²	44.7	6%	0.062	22%	0.218	C	C	.	.	H	α-helix	trans	-58	-26.4	-173.7	0	0	0	0	0	113.7	I374 Y375 V381 N382	I374-G378 PolarHBondContact O-N 3.49Å; I374-G378 VanDerWaalsContact O-N 3.16Å; Y375-G378 PolarHBondContact O-N 2.95Å; G378-V381 PolarHBondContact O-N 2.91Å; G378-N382 VanDerWaalsContact O-CB 3.23Å; G378-N382 WeakPolarHBondContact O-CB 3.37Å; G378-N382 PolarHBondContact O-N 2.96Å; G378-N382 PolarHBondContact O-ND2 2.81Å
379	D	62.8	Low	61.5	Low	69 Å²	69	41.4 Å²	41.4	37%	0.369	21%	0.206	S	C	.	.	H	α-helix	trans	-67.6	-37.2	173.9	-64.8	-29.6	0	0	0	112.6	I377 N382 L383	I377-D379 PolarHBondContact O-N 2.78Å; D379-N382 PolarHBondContact O-N 3.18Å; D379-L383 WeakPolarHBondContact O-CB 3.43Å; D379-L383 PolarHBondContact O-N 3.35Å
380	L	65.2	Low	59.6	Low	3 Å²	3	45.5 Å²	45.5	2%	0.016	23%	0.232	C	C	.	.	H	α-helix	trans	-65.5	-47.5	173.4	-178.1	61.6	0	0	0	110.7	L28 F32 L319 I339 I377 N382 L383 L384	L28-L380 HydrophobicContact CB-CD1 4.05Å; L28-L380 HydrophobicContact CD1-CD1 4.08Å; L28-L380 HydrophobicContact CD2-CB 4.24Å; F32-L380 HydrophobicContact CB-CD2 4.06Å; F32-L380 HydrophobicContact CD2-CD2 3.59Å; F32-L380 HydrophobicContact CE2-CD2 4.24Å; F32-L380 HydrophobicContact CG-CD2 3.91Å; L319-L380 HydrophobicContact CD2-CD1 3.46Å; L319-L380 VanDerWaalsContact CD2-CD1 3.46Å; L319-L380 HydrophobicContact CD2-CG 4.43Å; I339-L380 HydrophobicContact CD1-CD2 3.85Å; I377-L380 HydrophobicContact CB-CB 4.5Å; I377-L380 WeakPolarHBondContact O-CA 3.23Å; I377-L380 VanDerWaalsContact O-CB 3.28Å; I377-L380 WeakPolarHBondContact O-CB 2.95Å; I377-L380 PolarHBondContact O-N 2.89Å; L380-N382 VanDerWaalsContact C-N 3.3Å; L380-N382 PolarHBondContact O-N 2.9Å; L380-L383 WeakPolarHBondContact O-CB 3.38Å; L380-L383 PolarHBondContact O-N 3.15Å; L380-L383 VanDerWaalsContact O-N 3.16Å; L380-L384 HydrophobicContact CG-CD1 4.44Å; L380-L384 WeakPolarHBondContact O-CG 3.48Å; L380-L384 PolarHBondContact O-N 2.86Å
381	V	66.6	Low	57.7	Low	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-59.1	-45.4	175.7	177.2	0	0	0	0	110	I244 I246 V341 F369 I374 I377 G378 L383 L384 L385	I244-V381 HydrophobicContact CD1-CG2 4.19Å; I246-V381 HydrophobicContact CD1-CG1 3.32Å; V341-V381 HydrophobicContact CG1-CG1 4.48Å; F369-V381 HydrophobicContact CE2-CB 4.5Å; F369-V381 HydrophobicContact CE2-CG1 4.13Å; I374-V381 HydrophobicContact CG2-CG2 3.83Å; I377-V381 HydrophobicContact CD1-CG2 4.47Å; I377-V381 HydrophobicContact CG1-CG2 4.45Å; I377-V381 PolarHBondContact O-N 2.89Å; G378-V381 PolarHBondContact O-N 2.91Å; V381-L383 PolarHBondContact O-N 3.15Å; V381-L384 PolarHBondContact O-N 2.75Å; V381-L385 HydrophobicContact CG1-CD1 3.89Å; V381-L385 HydrophobicContact CG1-CG 4.37Å; V381-L385 WeakPolarHBondContact O-CB 3.13Å; V381-L385 VanDerWaalsContact O-CG 3.31Å; V381-L385 WeakPolarHBondContact O-CG 3.31Å; V381-L385 PolarHBondContact O-N 3.46Å
382	N	64.8	Low	55.6	Low	21 Å²	21	49.5 Å²	49.5	11%	0.112	26%	0.255	C	S	.	.	H	α-helix	trans	-63.9	-38.5	176	-72.9	-36.1	0	0	0	112	A3 G378 D379 L380 L384 L385 K386	A3-N382 WeakPolarHBondContact CA-OD1 3.35Å; A3-N382 VanDerWaalsContact CB-OD1 3.23Å; A3-N382 WeakPolarHBondContact CB-OD1 3.4Å; G378-N382 VanDerWaalsContact O-CB 3.23Å; G378-N382 WeakPolarHBondContact O-CB 3.37Å; G378-N382 PolarHBondContact O-N 2.96Å; G378-N382 PolarHBondContact O-ND2 2.81Å; D379-N382 PolarHBondContact O-N 3.18Å; L380-N382 VanDerWaalsContact C-N 3.3Å; L380-N382 PolarHBondContact O-N 2.9Å; N382-L384 VanDerWaalsContact C-N 3.3Å; N382-L384 PolarHBondContact O-N 3.22Å; N382-L385 PolarHBondContact O-N 3.2Å; N382-K386 WeakPolarHBondContact O-CA 3.43Å; N382-K386 WeakPolarHBondContact O-CB 3.5Å; N382-K386 WeakPolarHBondContact O-CG 3.34Å; N382-K386 PolarHBondContact O-N 3.1Å
383	L	62.6	Low	53.2	Low	34 Å²	34	58.7 Å²	58.7	18%	0.178	30%	0.297	C	S	.	.	H	α-helix	trans	-62.6	-40	177.1	-175.6	124.4	0	0	0	111	D379 L380 V381 K386 K387	D379-L383 WeakPolarHBondContact O-CB 3.43Å; D379-L383 PolarHBondContact O-N 3.35Å; L380-L383 WeakPolarHBondContact O-CB 3.38Å; L380-L383 PolarHBondContact O-N 3.15Å; L380-L383 VanDerWaalsContact O-N 3.16Å; V381-L383 PolarHBondContact O-N 3.15Å; L383-K386 PolarHBondContact O-N 3.25Å; L383-K387 PolarHBondContact O-N 3.37Å; L383-K387 VanDerWaalsContact O-N 3.13Å
384	L	62	Low	51.2	Low	1 Å²	1	61.4 Å²	61.4	1%	0.005	32%	0.315	C	S	.	.	H	α-helix	trans	-74.1	-36.7	177.4	-66.1	170.6	0	0	0	113	T317 L319 I339 V341 L380 V381 N382	T317-L384 HydrophobicContact CG2-CB 4.26Å; T317-L384 HydrophobicContact CG2-CD2 4.05Å; T317-L384 WeakPolarHBondContact CG2-O 3.02Å; L319-L384 HydrophobicContact CB-CD1 3.87Å; L319-L384 HydrophobicContact CB-CD2 3.61Å; L319-L384 HydrophobicContact CB-CG 4.35Å; L319-L384 HydrophobicContact CD1-CD2 4.26Å; L319-L384 HydrophobicContact CD2-CD1 4.18Å; L319-L384 HydrophobicContact CD2-CD2 4.32Å; L319-L384 HydrophobicContact CG-CD2 4.31Å; I339-L384 HydrophobicContact CG2-CD1 4.16Å; V341-L384 HydrophobicContact CB-CB 4.24Å; V341-L384 HydrophobicContact CG2-CB 3.81Å; V341-L384 HydrophobicContact CG2-CD1 3.53Å; V341-L384 HydrophobicContact CG2-CG 4.31Å; L380-L384 HydrophobicContact CG-CD1 4.44Å; L380-L384 WeakPolarHBondContact O-CG 3.48Å; L380-L384 PolarHBondContact O-N 2.86Å; V381-L384 PolarHBondContact O-N 2.75Å; N382-L384 VanDerWaalsContact C-N 3.3Å; N382-L384 PolarHBondContact O-N 3.22Å
385	L	63.5	Low	49	Very low	31 Å²	31	66.7 Å²	66.7	16%	0.162	35%	0.349	C	S	.	.	H	α-helix	trans	-68.7	-38.1	170.4	-67.9	173.3	0	0	0	111.6	I6 I246 V341 V381 N382 K387 Q388	I6-L385 HydrophobicContact CG2-CB 4.28Å; I246-L385 HydrophobicContact CD1-CD1 4.14Å; V341-L385 HydrophobicContact CG1-CD2 3.77Å; V341-L385 HydrophobicContact CG1-CG 4.09Å; V381-L385 HydrophobicContact CG1-CD1 3.89Å; V381-L385 HydrophobicContact CG1-CG 4.37Å; V381-L385 WeakPolarHBondContact O-CB 3.13Å; V381-L385 VanDerWaalsContact O-CG 3.31Å; V381-L385 WeakPolarHBondContact O-CG 3.31Å; V381-L385 PolarHBondContact O-N 3.46Å; N382-L385 PolarHBondContact O-N 3.2Å; L385-K387 VanDerWaalsContact C-N 3.27Å; L385-K387 PolarHBondContact O-N 3.44Å; L385-Q388 PolarHBondContact O-N 3.43Å
386	K	52.3	Low	47.3	Very low	97 Å²	97	67.3 Å²	67.3	42%	0.422	36%	0.358	S	S	.	.	H	α-helix	trans	-66.1	-26.6	178.5	-81.1	179.3	178.1	-172.5	0	113	I6 N382 L383 Q388 L389	I6-K386 HydrophobicContact CD1-CD 4.42Å; I6-K386 HydrophobicContact CD1-CG 4.26Å; I6-K386 HydrophobicContact CG2-CG 4.49Å; N382-K386 WeakPolarHBondContact O-CA 3.43Å; N382-K386 WeakPolarHBondContact O-CB 3.5Å; N382-K386 WeakPolarHBondContact O-CG 3.34Å; N382-K386 PolarHBondContact O-N 3.1Å; L383-K386 PolarHBondContact O-N 3.25Å; K386-Q388 PolarHBondContact O-N 3.1Å; K386-L389 HydrophobicContact CB-CD1 4.17Å; K386-L389 HydrophobicContact CG-CD1 3.78Å; K386-L389 WeakPolarHBondContact O-CB 3.43Å; K386-L389 PolarHBondContact O-N 2.81Å
387	K	45	Very low	45.8	Very low	85 Å²	85	68.3 Å²	68.3	37%	0.37	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-12.9	173.3	-118.2	-177.6	-179.8	-178.4	0	113.3	T317 L383 L385	T317-K387 HydrophobicContact CG2-CB 4.22Å; T317-K387 HydrophobicContact CG2-CD 4.35Å; L383-K387 PolarHBondContact O-N 3.37Å; L383-K387 VanDerWaalsContact O-N 3.13Å; L385-K387 VanDerWaalsContact C-N 3.27Å; L385-K387 PolarHBondContact O-N 3.44Å
388	Q	34.6	Very low	44.5	Very low	60 Å²	60	73.6 Å²	73.6	28%	0.28	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	8.7	174.1	-62.9	-67	-24.5	0	0	113.4	T317 L385 K386	T317-Q388 PolarHBondContact OG1-NE2 2.68Å; L385-Q388 PolarHBondContact O-N 3.43Å; K386-Q388 PolarHBondContact O-N 3.1Å
389	L	30.3	Very low	43	Very low	61 Å²	61	80.7 Å²	80.7	32%	0.319	43%	0.428	S	S	.	.			trans	-106.9	115.2	-175.2	-52.2	173.6	0	0	0	113.1	I6 Q10 K386	I6-L389 HydrophobicContact CG2-CD1 4.05Å; Q10-L389 HydrophobicContact CB-CD2 3.59Å; Q10-L389 HydrophobicContact CG-CD2 3.76Å; K386-L389 HydrophobicContact CB-CD1 4.17Å; K386-L389 HydrophobicContact CG-CD1 3.78Å; K386-L389 WeakPolarHBondContact O-CB 3.43Å; K386-L389 PolarHBondContact O-N 2.81Å
390	T	34.8	Very low	41.6	Very low	97 Å²	97	85.1 Å²	85.1	60%	0.595	45%	0.446	S	S	*	.			trans	-117.1	138.5	148.4	37.5	0	0	0	0	110.2	Q10 Q392	Q10-T390 PolarHBondContact NE2-O 2.93Å; T390-Q392 PolarHBondContact O-N 3.38Å
391	P	28.4	Very low	40.3	Very low	123 Å²	123	91 Å²	91	80%	0.799	47%	0.473	S	S	*	.			trans	-71.7	89	-173.9	30	-34.8	0	0	0	110.8
392	Q	24	Very low	39.1	Very low	162 Å²	162	98.6 Å²	98.6	76%	0.757	50%	0.502	S	S	*	.			trans	-66.5	133.5	155.8	-76.4	-161.6	-18.2	0	0	108.5	T390 V394	T390-Q392 PolarHBondContact O-N 3.38Å; Q392-V394 PolarHBondContact O-N 2.83Å
393	Q	22	Very low	38.1	Very low	198 Å²	198	101 Å²	101	93%	0.925	52%	0.515	S	S	*	.			trans	-52.3	97.9	-177.6	-68.3	168.6	-28.5	0	0	110.4
394	V	26.6	Very low	36.9	Very low	89 Å²	89	104.3 Å²	104.3	54%	0.539	53%	0.529	S	S	.	.			trans	-80.4	135	168.8	177.6	0	0	0	0	108.3	Q392	Q392-V394 PolarHBondContact O-N 2.83Å
395	P	26.3	Very low	36	Very low	112 Å²	112	105.7 Å²	105.7	73%	0.727	54%	0.543	S	S	*	.			trans	-61.1	144.9	179.6	-19.3	31.2	0	0	0	112.8	P397	P395-P397 VanDerWaalsContact O-CD 3.25Å; P395-P397 WeakPolarHBondContact O-CD 3.42Å
396	D	27.5	Very low	35.1	Very low	93 Å²	93	107.7 Å²	107.7	50%	0.497	55%	0.554	S	S	.	*			trans	-70.4	115.6	-164.2	-163.2	-22.2	0	0	0	114.3	R402	D396-R402 IonicContact OD2-NH1 3.72Å; D396-R402 PolarHBondContact OD2-NH1 3.45Å
397	P	30.2	Very low	34.6	Very low	86 Å²	86	103.7 Å²	103.7	56%	0.558	54%	0.539	S	S	*	.			trans	-114.3	121.2	156.2	23.4	-2	0	0	0	109.5	P395	P395-P397 VanDerWaalsContact O-CD 3.25Å; P395-P397 WeakPolarHBondContact O-CD 3.42Å
398	N	38	Very low	34.5	Very low	117 Å²	117	102.5 Å²	102.5	63%	0.626	54%	0.536	S	S	*	.			trans	82.9	88.4	172.4	-58.4	-11.1	0	0	0	116.2	E400 E401	N398-E400 PolarHBondContact O-N 3.09Å; N398-E401 PolarHBondContact O-N 3.22Å; N398-E401 VanDerWaalsContact O-N 3.15Å
399	Q	35.2	Very low	35.2	Very low	155 Å²	155	107.9 Å²	107.9	72%	0.724	55%	0.554	S	S	*	*	H	α-helix	trans	-42.5	-35.1	162.8	-85.4	-171	-30.4	0	0	113.7	R402 L403	Q399-R402 PolarHBondContact O-N 3.37Å; Q399-L403 VanDerWaalsContact O-CG 3.25Å; Q399-L403 WeakPolarHBondContact O-CG 3.41Å; Q399-L403 PolarHBondContact O-N 3.1Å
400	E	33.6	Very low	35.9	Very low	162 Å²	162	106.2 Å²	106.2	76%	0.757	54%	0.544	S	S	*	.	H	α-helix	trans	-64.5	-42.4	-177.9	-111.7	168.8	167.8	0	0	113.7	N398 R402 L403 E404	N398-E400 PolarHBondContact O-N 3.09Å; E400-R402 VanDerWaalsContact C-N 3.3Å; E400-R402 PolarHBondContact O-N 2.93Å; E400-L403 PolarHBondContact O-N 3.37Å; E400-E404 PolarHBondContact O-N 3.4Å
401	E	38.5	Very low	36.4	Very low	126 Å²	126	102.2 Å²	102.2	59%	0.589	52%	0.522	S	S	*	.	H	α-helix	trans	-71.1	-31.1	-179.4	-155.3	175.3	-164	0	0	110.8	N398 G405	N398-E401 PolarHBondContact O-N 3.22Å; N398-E401 VanDerWaalsContact O-N 3.15Å; E401-G405 PolarHBondContact O-N 3.29Å
402	R	40.4	Very low	37.1	Very low	161 Å²	161	102.2 Å²	102.2	61%	0.608	52%	0.516	S	S	*	.	H	α-helix	trans	-69.6	-41.2	174.2	-145.7	174.1	177.2	-179.7	-2.6	111.5	D396 Q399 E400 G405 I406	D396-R402 IonicContact OD2-NH1 3.72Å; D396-R402 PolarHBondContact OD2-NH1 3.45Å; Q399-R402 PolarHBondContact O-N 3.37Å; E400-R402 VanDerWaalsContact C-N 3.3Å; E400-R402 PolarHBondContact O-N 2.93Å; R402-G405 PolarHBondContact O-N 2.9Å; R402-I406 WeakPolarHBondContact O-CB 3.31Å; R402-I406 WeakPolarHBondContact O-CD1 3.42Å; R402-I406 VanDerWaalsContact O-CG1 3.23Å; R402-I406 WeakPolarHBondContact O-CG1 3.45Å; R402-I406 PolarHBondContact O-N 3.39Å
403	L	43.7	Very low	38	Very low	71 Å²	71	97.5 Å²	97.5	37%	0.372	49%	0.493	S	S	.	.	H	α-helix	trans	-65.3	-41.3	175.6	-69.4	169	0	0	0	111.5	Q399 E400 I406 A407 V933	Q399-L403 VanDerWaalsContact O-CG 3.25Å; Q399-L403 WeakPolarHBondContact O-CG 3.41Å; Q399-L403 PolarHBondContact O-N 3.1Å; E400-L403 PolarHBondContact O-N 3.37Å; L403-I406 PolarHBondContact O-N 3.5Å; L403-A407 WeakPolarHBondContact O-CB 3.33Å; L403-A407 PolarHBondContact O-N 2.89Å; L403-V933 HydrophobicContact CB-CG1 4.44Å; L403-V933 HydrophobicContact CD2-CB 4.44Å; L403-V933 HydrophobicContact CD2-CG1 3.78Å; L403-V933 HydrophobicContact CD2-CG2 3.75Å; L403-V933 HydrophobicContact CG-CG1 4.47Å
404	E	37.8	Very low	39.2	Very low	104 Å²	104	88.2 Å²	88.2	49%	0.486	45%	0.45	S	S	.	.	H	α-helix	trans	-65.6	-40.4	174.2	-165.8	-178.1	176.4	0	0	111.9	E400 A407 N408	E400-E404 PolarHBondContact O-N 3.4Å; E404-A407 PolarHBondContact O-N 2.93Å; E404-N408 WeakPolarHBondContact O-CB 3.36Å; E404-N408 PolarHBondContact O-N 2.91Å; E404-N408 PolarHBondContact O-ND2 2.96Å; E404-N408 VanDerWaalsContact O-ND2 3.15Å
405	G	42.7	Very low	39.9	Very low	29 Å²	29	85.5 Å²	85.5	30%	0.299	43%	0.432	S	S	.	.	H	α-helix	trans	-66	-33.7	175.2	0	0	0	0	0	114	E401 R402 R409	E401-G405 PolarHBondContact O-N 3.29Å; R402-G405 PolarHBondContact O-N 2.9Å; G405-R409 PolarHBondContact O-N 3.06Å
406	I	44.3	Very low	40.5	Very low	73 Å²	73	82.3 Å²	82.3	37%	0.374	41%	0.411	S	S	.	.	H	α-helix	trans	-71.6	-48.5	172.6	-69.9	164.7	0	0	0	109.9	R402 L403 N408 R409 F410	R402-I406 WeakPolarHBondContact O-CB 3.31Å; R402-I406 WeakPolarHBondContact O-CD1 3.42Å; R402-I406 VanDerWaalsContact O-CG1 3.23Å; R402-I406 WeakPolarHBondContact O-CG1 3.45Å; R402-I406 PolarHBondContact O-N 3.39Å; L403-I406 PolarHBondContact O-N 3.5Å; I406-N408 VanDerWaalsContact C-N 3.31Å; I406-N408 PolarHBondContact O-N 2.74Å; I406-R409 WeakPolarHBondContact O-CA 3.27Å; I406-R409 WeakPolarHBondContact O-CB 3.45Å; I406-R409 PolarHBondContact O-N 2.92Å; I406-F410 HydrophobicContact CG2-CD2 3.77Å; I406-F410 HydrophobicContact CG2-CE2 3.63Å; I406-F410 WeakPolarHBondContact O-CD2 3.21Å; I406-F410 PolarHBondContact O-N 2.94Å
407	A	43	Very low	40.9	Very low	13 Å²	13	81.7 Å²	81.7	11%	0.107	42%	0.419	C	S	.	.	H	α-helix	trans	-58.4	-40.4	177.6	0	0	0	0	0	112.5	L403 E404 F410 G411	L403-A407 WeakPolarHBondContact O-CB 3.33Å; L403-A407 PolarHBondContact O-N 2.89Å; E404-A407 PolarHBondContact O-N 2.93Å; A407-F410 WeakPolarHBondContact O-CB 3.03Å; A407-F410 PolarHBondContact O-N 3.01Å; A407-G411 PolarHBondContact O-N 3.16Å; A407-G411 VanDerWaalsContact O-N 3.11Å
408	N	42.7	Very low	41.2	Very low	60 Å²	60	79.8 Å²	79.8	32%	0.321	40%	0.404	S	S	.	.	H	α-helix	trans	-66.6	-34.3	174.4	-79.5	-38.6	0	0	0	112.9	E404 I406 G411	E404-N408 WeakPolarHBondContact O-CB 3.36Å; E404-N408 PolarHBondContact O-N 2.91Å; E404-N408 PolarHBondContact O-ND2 2.96Å; E404-N408 VanDerWaalsContact O-ND2 3.15Å; I406-N408 VanDerWaalsContact C-N 3.31Å; I406-N408 PolarHBondContact O-N 2.74Å; N408-G411 PolarHBondContact O-N 2.85Å
409	R	48.6	Very low	41.2	Very low	174 Å²	174	81.6 Å²	81.6	66%	0.657	41%	0.406	S	S	*	.	H	α-helix	trans	-65.6	-41.8	171.7	-90.1	-174.9	-98.1	-163.6	-7.2	111.5	G405 I406 G411 N412 F413	G405-R409 PolarHBondContact O-N 3.06Å; I406-R409 WeakPolarHBondContact O-CA 3.27Å; I406-R409 WeakPolarHBondContact O-CB 3.45Å; I406-R409 PolarHBondContact O-N 2.92Å; R409-G411 VanDerWaalsContact C-N 3.29Å; R409-G411 PolarHBondContact O-N 2.64Å; R409-N412 PolarHBondContact O-N 2.98Å; R409-F413 VanDerWaalsContact O-CD2 3.23Å; R409-F413 WeakPolarHBondContact O-CD2 3.44Å
410	F	46.2	Very low	41.4	Very low	26 Å²	26	76.9 Å²	76.9	11%	0.114	39%	0.39	C	S	.	.	H	α-helix	trans	-58.4	-37.9	173.8	-88	-79.8	0	0	0	112.8	I406 A407 N412 F413 L414 M855 L881 F937 I952 L987	I406-F410 HydrophobicContact CG2-CD2 3.77Å; I406-F410 HydrophobicContact CG2-CE2 3.63Å; I406-F410 WeakPolarHBondContact O-CD2 3.21Å; I406-F410 PolarHBondContact O-N 2.94Å; A407-F410 WeakPolarHBondContact O-CB 3.03Å; A407-F410 PolarHBondContact O-N 3.01Å; F410-N412 PolarHBondContact O-N 3.24Å; F410-N412 VanDerWaalsContact O-N 3.15Å; F410-F413 WeakPolarHBondContact O-CB 3.4Å; F410-F413 PolarHBondContact O-N 3.48Å; F410-L414 HydrophobicContact CB-CD1 4.19Å; F410-L414 WeakPolarHBondContact O-CD1 3.37Å; F410-L414 WeakPolarHBondContact O-CG 3.47Å; F410-L414 PolarHBondContact O-N 3.12Å; F410-M855 HydrophobicContact CE1-CE 4.27Å; F410-M855 HydrophobicContact CE2-CE 4.45Å; F410-M855 HydrophobicContact CZ-CE 3.61Å; F410-M855 HydrophobicContact CZ-SD 4.41Å; F410-L881 HydrophobicContact CD1-CD1 4.23Å; F410-L881 HydrophobicContact CE1-CD1 3.88Å; F410-F937 HydrophobicContact CB-CE2 4.23Å; F410-I952 HydrophobicContact CD2-CD1 4.3Å; F410-I952 HydrophobicContact CG-CD1 4.47Å; F410-L987 HydrophobicContact CE1-CD2 3.82Å; F410-L987 HydrophobicContact CZ-CD2 4.2Å
411	G	44.9	Very low	41.7	Very low	13 Å²	13	80.6 Å²	80.6	13%	0.134	40%	0.397	C	S	.	.	H	α-helix	trans	-52.4	-35.6	176.8	0	0	0	0	0	114.4	A407 N408 R409 F413	A407-G411 PolarHBondContact O-N 3.16Å; A407-G411 VanDerWaalsContact O-N 3.11Å; N408-G411 PolarHBondContact O-N 2.85Å; R409-G411 VanDerWaalsContact C-N 3.29Å; R409-G411 PolarHBondContact O-N 2.64Å; G411-F413 VanDerWaalsContact C-N 3.32Å; G411-F413 PolarHBondContact O-N 3.34Å
412	N	43.3	Very low	41.8	Very low	123 Å²	123	80.7 Å²	80.7	66%	0.658	40%	0.402	S	S	*	.	H	α-helix	trans	-74.6	-18.3	177.7	-70.5	-25	0	0	0	114.1	R409 F410	R409-N412 PolarHBondContact O-N 2.98Å; F410-N412 PolarHBondContact O-N 3.24Å; F410-N412 VanDerWaalsContact O-N 3.15Å
413	F	42.8	Very low	42.1	Very low	62 Å²	62	84 Å²	84	27%	0.272	41%	0.414	S	S	.	.	H	α-helix	trans	-86.5	-32.5	179.6	-75.5	-81.7	0	0	0	112.7	R409 F410 G411 K986	R409-F413 VanDerWaalsContact O-CD2 3.23Å; R409-F413 WeakPolarHBondContact O-CD2 3.44Å; F410-F413 WeakPolarHBondContact O-CB 3.4Å; F410-F413 PolarHBondContact O-N 3.48Å; G411-F413 VanDerWaalsContact C-N 3.32Å; G411-F413 PolarHBondContact O-N 3.34Å; F413-K986 HydrophobicContact CE1-CB 3.93Å; F413-K986 WeakPolarHBondContact CE1-O 3.46Å; F413-K986 WeakPolarHBondContact CZ-O 3.49Å
414	L	47.5	Very low	42.5	Very low	4 Å²	4	83.2 Å²	83.2	2%	0.021	42%	0.415	C	S	.	.	H	α-helix	trans	-92	-30	-159.9	-67.8	156.9	0	0	0	115.1	F410 M853 L881 M883 F937	F410-L414 HydrophobicContact CB-CD1 4.19Å; F410-L414 WeakPolarHBondContact O-CD1 3.37Å; F410-L414 WeakPolarHBondContact O-CG 3.47Å; F410-L414 PolarHBondContact O-N 3.12Å; L414-M853 HydrophobicContact CD1-CE 3.13Å; L414-M853 HydrophobicContact CD1-SD 3.54Å; L414-M853 VanDerWaalsContact CD1-SD 3.54Å; L414-M853 HydrophobicContact CD2-CE 4.16Å; L414-M853 HydrophobicContact CD2-SD 4.03Å; L414-M853 HydrophobicContact CG-CE 4.24Å; L414-M853 HydrophobicContact CG-SD 4.42Å; L414-L881 HydrophobicContact CD2-CB 3.89Å; L414-L881 HydrophobicContact CD2-CD1 4.39Å; L414-L881 HydrophobicContact CD2-CG 4.12Å; L414-M883 HydrophobicContact CB-SD 4.47Å; L414-M883 HydrophobicContact CD2-SD 4.07Å; L414-F937 HydrophobicContact CD1-CE1 4.48Å; L414-F937 HydrophobicContact CD1-CE2 3.77Å; L414-F937 HydrophobicContact CD1-CZ 3.4Å; L414-F937 VanDerWaalsContact CD1-CZ 3.4Å
415	L	41.5	Very low	43.7	Very low	31 Å²	31	79.6 Å²	79.6	16%	0.162	40%	0.398	C	S	.	.			trans	-147.6	91.3	-179.3	-66.5	170.4	0	0	0	109.3	A417 Y872 H939 P940	L415-A417 PolarHBondContact O-N 3.41Å; L415-Y872 HydrophobicContact CD2-CE1 4.41Å; L415-Y872 HydrophobicContact CD2-CE2 4.24Å; L415-Y872 WeakPolarHBondContact CD2-OH 3.48Å; L415-H939 WeakPolarHBondContact CD1-NE2 3.43Å; L415-P940 HydrophobicContact CB-CG 3.72Å; L415-P940 HydrophobicContact CD1-CG 3.51Å; L415-P940 HydrophobicContact CG-CG 4.26Å
416	P	38.5	Very low	45.1	Very low	46 Å²	46	81.7 Å²	81.7	30%	0.299	40%	0.402	S	S	.	.			trans	-61.1	139.1	171.4	23.4	-29.5	0	0	0	109.7	D418 N876 K878	P416-D418 PolarHBondContact O-N 3.15Å; P416-N876 HydrophobicContact CG-CB 4.13Å; P416-K878 HydrophobicContact CG-CB 4.37Å
417	A	36.2	Very low	46.7	Very low	80 Å²	80	80 Å²	80	66%	0.661	39%	0.393	S	S	*	.			trans	-50.3	129.3	159.6	0	0	0	0	0	107.5	L415 K419	L415-A417 PolarHBondContact O-N 3.41Å; A417-K419 PolarHBondContact O-N 3.01Å
418	D	36.8	Very low	48.3	Very low	46 Å²	46	88.1 Å²	88.1	25%	0.246	43%	0.429	C	S	.	.			trans	-51.7	105.9	-179.2	-159	-11.8	0	0	0	108.9	P416 S420	P416-D418 PolarHBondContact O-N 3.15Å; D418-S420 VanDerWaalsContact C-N 3.33Å; D418-S420 WeakPolarHBondContact OD1-CB 3.01Å; D418-S420 PolarHBondContact OD1-N 3.06Å; D418-S420 PolarHBondContact OD1-OG 3.44Å
419	K	37.4	Very low	50	Low	155 Å²	155	86.3 Å²	86.3	67%	0.674	42%	0.418	S	S	*	.			trans	-101.3	18.4	171.6	-75.1	-167.2	177.1	-171.5	0	110	A417 R421	A417-K419 PolarHBondContact O-N 3.01Å; K419-R421 PolarHBondContact O-N 3.06Å
420	S	38.3	Very low	51.3	Low	55 Å²	55	85.5 Å²	85.5	39%	0.385	42%	0.419	S	S	.	.			trans	-66.5	102.7	175.7	72.3	0	0	0	0	108.8	D418 N422	D418-S420 VanDerWaalsContact C-N 3.33Å; D418-S420 WeakPolarHBondContact OD1-CB 3.01Å; D418-S420 PolarHBondContact OD1-N 3.06Å; D418-S420 PolarHBondContact OD1-OG 3.44Å; S420-N422 PolarHBondContact O-N 3.48Å
421	R	40.9	Very low	52.3	Low	240 Å²	240	89.7 Å²	89.7	91%	0.906	44%	0.443	S	S	*	.			trans	-53.1	108.6	-178.3	-72.4	170.4	171.6	172.3	-4.2	110.3	K419	K419-R421 PolarHBondContact O-N 3.06Å
422	N	39.6	Very low	53.4	Low	129 Å²	129	91.4 Å²	91.4	69%	0.69	46%	0.46	S	S	*	.			trans	-137	104.6	142	-113.5	-9.6	0	0	0	106.4	S420 S424	S420-N422 PolarHBondContact O-N 3.48Å; N422-S424 WeakPolarHBondContact CB-OG 3.29Å; N422-S424 PolarHBondContact O-N 2.95Å
423	R	47.7	Very low	55	Low	229 Å²	229	87.6 Å²	87.6	86%	0.864	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	11.5	168.9	-148.1	-178.2	-164.8	-176.6	2.5	112.3
424	S	52.1	Low	56.8	Low	55 Å²	55	86.7 Å²	86.7	39%	0.385	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-4.2	-169.8	67.9	0	0	0	0	113.7	N422 K467	N422-S424 WeakPolarHBondContact CB-OG 3.29Å; N422-S424 PolarHBondContact O-N 2.95Å; S424-K467 WeakPolarHBondContact O-CD 3.32Å; S424-K467 VanDerWaalsContact O-CE 3.28Å; S424-K467 WeakPolarHBondContact O-CE 3.45Å; S424-K467 PolarHBondContact O-NZ 3.23Å
425	E	62.9	Low	58.3	Low	28 Å²	28	89.4 Å²	89.4	13%	0.131	46%	0.456	C	S	.	.	S	Bend	trans	-92.9	-25.8	177.6	-65.6	-171.1	176.3	0	0	113.6	L427 C466 K467 R777	E425-L427 PolarHBondContact O-N 3.47Å; E425-C466 WeakPolarHBondContact O-CA 3.32Å; E425-K467 HydrophobicContact CB-CB 4.45Å; E425-K467 PolarHBondContact O-N 3.41Å; E425-R777 IonicContact OE1-CZ 2.89Å; E425-R777 IonicContact OE1-NH1 3.94Å; E425-R777 PolarHBondContact OE1-NH1 2.96Å; E425-R777 IonicContact OE1-NH2 3.05Å; E425-R777 IonicContact OE2-CZ 3.68Å; E425-R777 IonicContact OE2-NH1 3.67Å; E425-R777 PolarHBondContact OE2-NH1 3.41Å
426	L	72.4	Confident	60.4	Low	73 Å²	73	92.1 Å²	92.1	38%	0.382	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	116.9	172.7	-174.2	70.3	0	0	0	108.9
427	L	77	Confident	62.8	Low	37 Å²	37	90 Å²	90	19%	0.194	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	140.9	175.7	-64.6	169.8	0	0	0	109.6	E425 W429 K465 K467 E473	E425-L427 PolarHBondContact O-N 3.47Å; L427-W429 PolarHBondContact O-N 3.16Å; L427-K465 HydrophobicContact CB-CB 3.74Å; L427-K465 HydrophobicContact CD1-CB 4.31Å; L427-K465 PolarHBondContact N-O 2.97Å; L427-K467 HydrophobicContact CD1-CG 4.14Å; L427-K467 HydrophobicContact CD2-CD 4.36Å; L427-K467 VanDerWaalsContact CD2-CE 3.42Å; L427-K467 HydrophobicContact CD2-CG 3.98Å; L427-K467 HydrophobicContact CG-CG 4.03Å; L427-E473 HydrophobicContact CD1-CB 4.29Å; L427-E473 HydrophobicContact CD1-CG 3.62Å
428	E	76.5	Confident	65.5	Low	185 Å²	185	86.1 Å²	86.1	86%	0.864	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-63.2	134.9	175.6	-167	-179.5	169.4	0	0	110.1
429	W	79.5	Confident	67.9	Low	21 Å²	21	86.7 Å²	86.7	8%	0.08	43%	0.433	C	S	.	.			trans	-142.1	129.2	178.6	-168.6	16.3	0	0	0	108.4	L427 K434 T437 A463 K465 V475 M477 L740	L427-W429 PolarHBondContact O-N 3.16Å; W429-K434 VanDerWaalsContact C-CE 3.47Å; W429-K434 HydrophobicContact CB-CG 4.43Å; W429-K434 HydrophobicContact CD2-CB 4.45Å; W429-K434 HydrophobicContact CD2-CD 4.19Å; W429-K434 HydrophobicContact CD2-CG 3.29Å; W429-K434 HydrophobicContact CE3-CD 4.19Å; W429-K434 HydrophobicContact CE3-CG 3.52Å; W429-K434 HydrophobicContact CG-CD 4.38Å; W429-K434 HydrophobicContact CG-CG 3.72Å; W429-K434 HydrophobicContact CH2-CG 4.26Å; W429-K434 HydrophobicContact CZ2-CB 4.43Å; W429-K434 HydrophobicContact CZ2-CG 4.05Å; W429-K434 HydrophobicContact CZ3-CG 4.01Å; W429-K434 WeakPolarHBondContact O-CE 3.49Å; W429-K434 PolarHBondContact O-NZ 3.32Å; W429-T437 HydrophobicContact CH2-CG2 4.14Å; W429-T437 HydrophobicContact CZ2-CG2 4.08Å; W429-A463 HydrophobicContact CE3-CB 4.47Å; W429-A463 HydrophobicContact CZ3-CB 3.86Å; W429-K465 HydrophobicContact CB-CD 4.07Å; W429-K465 HydrophobicContact CB-CG 4.41Å; W429-K465 HydrophobicContact CD2-CD 3.92Å; W429-K465 HydrophobicContact CD2-CG 3.92Å; W429-K465 HydrophobicContact CE3-CD 4.33Å; W429-K465 HydrophobicContact CE3-CG 3.8Å; W429-K465 HydrophobicContact CG-CD 3.81Å; W429-K465 HydrophobicContact CG-CG 4.22Å; W429-K465 HydrophobicContact CZ3-CG 4.3Å; W429-V475 HydrophobicContact CH2-CG1 3.66Å; W429-V475 HydrophobicContact CH2-CG2 4.39Å; W429-V475 HydrophobicContact CZ3-CG1 3.68Å; W429-V475 HydrophobicContact CZ3-CG2 4.42Å; W429-M477 HydrophobicContact CH2-CE 3.37Å; W429-M477 HydrophobicContact CZ2-CE 4.27Å; W429-M477 HydrophobicContact CZ3-CE 4.12Å; W429-L740 HydrophobicContact CH2-CD1 4.13Å; W429-L740 HydrophobicContact CZ2-CD1 3.86Å
430	K	75.4	Confident	70.5	Confident	157 Å²	157	82 Å²	82	68%	0.683	42%	0.415	S	S	*	.			trans	-76.3	147.3	179.8	-64.1	-176.3	178.7	-178.5	0	111.2	P433 K434	K430-P433 HydrophobicContact CB-CG 4.35Å; K430-P433 WeakPolarHBondContact O-CD 3.39Å; K430-K434 WeakPolarHBondContact O-CG 3.05Å; K430-K434 PolarHBondContact O-N 2.81Å
431	D	67.7	Low	73.2	Confident	114 Å²	114	79.4 Å²	79.4	61%	0.61	40%	0.397	S	S	*	.	H	α-helix	trans	-68.8	-37.5	-171.4	-64.9	-33.1	0	0	0	114.7	K434 T435	D431-K434 WeakPolarHBondContact O-CB 3.29Å; D431-K434 PolarHBondContact O-N 2.78Å; D431-K434 VanDerWaalsContact O-N 3.12Å; D431-K434 IonicContact OD1-NZ 3.7Å; D431-K434 PolarHBondContact OD1-NZ 3.22Å; D431-T435 PolarHBondContact O-N 3.19Å; D431-T435 PolarHBondContact O-OG1 2.81Å
432	G	67	Low	75.7	Confident	49 Å²	49	68.5 Å²	68.5	51%	0.505	36%	0.356	S	S	.	.	H	α-helix	trans	-55.1	-57.9	176.4	0	0	0	0	0	112.9	K434 T435 T436	G432-K434 PolarHBondContact O-N 3.3Å; G432-T435 PolarHBondContact O-N 3.37Å; G432-T436 PolarHBondContact O-N 3.34Å; G432-T436 PolarHBondContact O-OG1 3.15Å
433	P	76.9	Confident	78.1	Confident	44 Å²	44	67.4 Å²	67.4	29%	0.286	35%	0.347	S	S	.	.	H	α-helix	trans	-56.9	-31.9	174.1	-27.6	35.1	0	0	0	114.6	K430 T437	K430-P433 HydrophobicContact CB-CG 4.35Å; K430-P433 WeakPolarHBondContact O-CD 3.39Å; P433-T437 VanDerWaalsContact O-CB 3.31Å; P433-T437 WeakPolarHBondContact O-CB 3.44Å; P433-T437 PolarHBondContact O-N 2.98Å; P433-T437 PolarHBondContact O-OG1 2.77Å
434	K	81.7	Confident	80.2	Confident	43 Å²	43	59.3 Å²	59.3	19%	0.187	32%	0.319	C	S	.	.	H	α-helix	trans	-60.6	-49.1	177.3	-74.3	174.5	-163.3	157.8	0	112	W429 K430 D431 G432 T437 A438 L460	W429-K434 VanDerWaalsContact C-CE 3.47Å; W429-K434 HydrophobicContact CB-CG 4.43Å; W429-K434 HydrophobicContact CD2-CB 4.45Å; W429-K434 HydrophobicContact CD2-CD 4.19Å; W429-K434 HydrophobicContact CD2-CG 3.29Å; W429-K434 HydrophobicContact CE3-CD 4.19Å; W429-K434 HydrophobicContact CE3-CG 3.52Å; W429-K434 HydrophobicContact CG-CD 4.38Å; W429-K434 HydrophobicContact CG-CG 3.72Å; W429-K434 HydrophobicContact CH2-CG 4.26Å; W429-K434 HydrophobicContact CZ2-CB 4.43Å; W429-K434 HydrophobicContact CZ2-CG 4.05Å; W429-K434 HydrophobicContact CZ3-CG 4.01Å; W429-K434 WeakPolarHBondContact O-CE 3.49Å; W429-K434 PolarHBondContact O-NZ 3.32Å; K430-K434 WeakPolarHBondContact O-CG 3.05Å; K430-K434 PolarHBondContact O-N 2.81Å; D431-K434 WeakPolarHBondContact O-CB 3.29Å; D431-K434 PolarHBondContact O-N 2.78Å; D431-K434 VanDerWaalsContact O-N 3.12Å; D431-K434 IonicContact OD1-NZ 3.7Å; D431-K434 PolarHBondContact OD1-NZ 3.22Å; G432-K434 PolarHBondContact O-N 3.3Å; K434-T437 PolarHBondContact O-N 3.07Å; K434-A438 WeakPolarHBondContact O-CB 3.39Å; K434-A438 PolarHBondContact O-N 2.92Å; K434-L460 HydrophobicContact CB-CD2 4.42Å
435	T	79.5	Confident	82.2	Confident	61 Å²	61	56.7 Å²	56.7	37%	0.374	30%	0.301	S	S	.	.	H	α-helix	trans	-67	-44.9	-176.1	-55.9	0	0	0	0	111	D431 G432 T437 A438 V439	D431-T435 PolarHBondContact O-N 3.19Å; D431-T435 PolarHBondContact O-OG1 2.81Å; G432-T435 PolarHBondContact O-N 3.37Å; T435-T437 VanDerWaalsContact C-N 3.32Å; T435-T437 PolarHBondContact O-N 2.95Å; T435-A438 WeakPolarHBondContact O-CB 3.48Å; T435-A438 PolarHBondContact O-N 2.9Å; T435-A438 VanDerWaalsContact O-N 3.09Å; T435-V439 PolarHBondContact O-N 2.81Å; T435-V439 VanDerWaalsContact O-N 3.1Å
436	T	83.7	Confident	83.4	Confident	87 Å²	87	56.5 Å²	56.5	53%	0.534	30%	0.301	S	S	.	.	H	α-helix	trans	-60	-43	175.2	-52.5	0	0	0	0	111.6	G432 A438 V439 N440	G432-T436 PolarHBondContact O-N 3.34Å; G432-T436 PolarHBondContact O-OG1 3.15Å; T436-A438 VanDerWaalsContact C-N 3.3Å; T436-A438 PolarHBondContact O-N 2.89Å; T436-V439 PolarHBondContact O-N 3.34Å; T436-N440 PolarHBondContact O-N 3.02Å; T436-N440 VanDerWaalsContact O-N 3.08Å; T436-N440 PolarHBondContact O-ND2 2.81Å
437	T	90.4	Very high	84.1	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.006	32%	0.318	C	S	.	.	H	α-helix	trans	-61.6	-40.3	175.5	-53.5	0	0	0	0	111.1	W429 P433 K434 T435 V439 N440 V441 M477 L740 D743 P745	W429-T437 HydrophobicContact CH2-CG2 4.14Å; W429-T437 HydrophobicContact CZ2-CG2 4.08Å; P433-T437 VanDerWaalsContact O-CB 3.31Å; P433-T437 WeakPolarHBondContact O-CB 3.44Å; P433-T437 PolarHBondContact O-N 2.98Å; P433-T437 PolarHBondContact O-OG1 2.77Å; K434-T437 PolarHBondContact O-N 3.07Å; T435-T437 VanDerWaalsContact C-N 3.32Å; T435-T437 PolarHBondContact O-N 2.95Å; T437-V439 VanDerWaalsContact C-N 3.34Å; T437-V439 PolarHBondContact O-N 2.78Å; T437-N440 PolarHBondContact O-N 2.04Å; T437-V441 HydrophobicContact CG2-CG2 4.36Å; T437-V441 WeakPolarHBondContact O-CG2 3.43Å; T437-V441 PolarHBondContact O-N 2.79Å; T437-M477 HydrophobicContact CG2-CE 3.33Å; T437-L740 HydrophobicContact CG2-CD1 3.75Å; T437-L740 HydrophobicContact CG2-CD2 3.57Å; T437-L740 HydrophobicContact CG2-CG 4.34Å; T437-D743 PolarHBondContact OG1-O 2.91Å; T437-P745 HydrophobicContact CG2-CG 4.46Å
438	A	91.5	Very high	84.5	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-62.7	-39.6	179.8	0	0	0	0	0	112.6	K434 T435 T436 V441 F442 F457 L460 M477 L479	K434-A438 WeakPolarHBondContact O-CB 3.39Å; K434-A438 PolarHBondContact O-N 2.92Å; T435-A438 WeakPolarHBondContact O-CB 3.48Å; T435-A438 PolarHBondContact O-N 2.9Å; T435-A438 VanDerWaalsContact O-N 3.09Å; T436-A438 VanDerWaalsContact C-N 3.3Å; T436-A438 PolarHBondContact O-N 2.89Å; A438-V441 PolarHBondContact O-N 3.06Å; A438-F442 PolarHBondContact O-N 3.29Å; A438-F457 HydrophobicContact CB-CE2 4.47Å; A438-F457 HydrophobicContact CB-CZ 4.31Å; A438-L460 HydrophobicContact CB-CB 4.22Å; A438-L460 HydrophobicContact CB-CD1 3.85Å; A438-L460 HydrophobicContact CB-CD2 4.06Å; A438-L460 HydrophobicContact CB-CG 4.26Å; A438-M477 HydrophobicContact CB-CE 4.36Å; A438-M477 HydrophobicContact CB-SD 4.08Å; A438-L479 HydrophobicContact CB-CD2 3.86Å
439	V	88.3	Confident	84.9	Confident	57 Å²	57	50.9 Å²	50.9	35%	0.345	29%	0.29	S	S	.	.	H	α-helix	trans	-63.6	-46.1	173	176.6	0	0	0	0	110.5	T435 T436 T437 V441 F442 E443 F457	T435-V439 PolarHBondContact O-N 2.81Å; T435-V439 VanDerWaalsContact O-N 3.1Å; T436-V439 PolarHBondContact O-N 3.34Å; T437-V439 VanDerWaalsContact C-N 3.34Å; T437-V439 PolarHBondContact O-N 2.78Å; V439-V441 VanDerWaalsContact C-N 3.31Å; V439-V441 PolarHBondContact O-N 3.07Å; V439-F442 WeakPolarHBondContact O-CA 3.44Å; V439-F442 WeakPolarHBondContact O-CB 3.46Å; V439-F442 PolarHBondContact O-N 2.79Å; V439-F442 VanDerWaalsContact O-N 3.08Å; V439-E443 PolarHBondContact O-N 2.8Å; V439-F457 HydrophobicContact CG2-CD1 4.46Å; V439-F457 HydrophobicContact CG2-CE1 4.39Å
440	N	91.8	Very high	84.7	Confident	58 Å²	58	58 Å²	58	31%	0.31	32%	0.321	S	S	.	.	H	α-helix	trans	-62.8	-36.2	176.8	-67.4	-26.1	0	0	0	112.6	T436 T437 E443 M444 P745	T436-N440 PolarHBondContact O-N 3.02Å; T436-N440 VanDerWaalsContact O-N 3.08Å; T436-N440 PolarHBondContact O-ND2 2.81Å; T437-N440 PolarHBondContact O-N 2.04Å; N440-E443 PolarHBondContact O-N 2.8Å; N440-M444 PolarHBondContact O-N 2.79Å; N440-P745 VanDerWaalsContact CB-CD 3.46Å; N440-P745 HydrophobicContact CB-CG 3.83Å
441	V	94.5	Very high	84.8	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-66.2	-40.6	173.2	170.9	0	0	0	0	110.6	T437 A438 V439 M444 L445 M477 L479 W736 P745	T437-V441 HydrophobicContact CG2-CG2 4.36Å; T437-V441 WeakPolarHBondContact O-CG2 3.43Å; T437-V441 PolarHBondContact O-N 2.79Å; A438-V441 PolarHBondContact O-N 3.06Å; V439-V441 VanDerWaalsContact C-N 3.31Å; V439-V441 PolarHBondContact O-N 3.07Å; V441-M444 WeakPolarHBondContact O-CB 3.21Å; V441-M444 PolarHBondContact O-N 2.88Å; V441-L445 HydrophobicContact CG1-CD1 4.19Å; V441-L445 HydrophobicContact CG1-CG 4.36Å; V441-L445 WeakPolarHBondContact O-CG 3.46Å; V441-L445 PolarHBondContact O-N 2.79Å; V441-M477 HydrophobicContact CB-SD 4.03Å; V441-M477 HydrophobicContact CG1-SD 4.38Å; V441-M477 HydrophobicContact CG2-CE 4.28Å; V441-M477 HydrophobicContact CG2-SD 3.68Å; V441-L479 HydrophobicContact CG1-CD1 3.74Å; V441-W736 HydrophobicContact CB-CD2 4.5Å; V441-W736 HydrophobicContact CG1-CB 3.78Å; V441-W736 HydrophobicContact CG1-CD2 3.59Å; V441-W736 HydrophobicContact CG1-CE3 4.13Å; V441-W736 HydrophobicContact CG1-CG 3.42Å; V441-W736 VanDerWaalsContact CG1-CG 3.42Å; V441-W736 HydrophobicContact CG2-CD2 3.98Å; V441-W736 HydrophobicContact CG2-CE3 3.91Å; V441-W736 HydrophobicContact CG2-CH2 4.04Å; V441-W736 HydrophobicContact CG2-CZ2 4.11Å; V441-W736 HydrophobicContact CG2-CZ3 3.93Å; V441-P745 HydrophobicContact CB-CG 4.33Å; V441-P745 HydrophobicContact CG2-CB 4.11Å; V441-P745 HydrophobicContact CG2-CG 3.44Å; V441-P745 VanDerWaalsContact CG2-CG 3.44Å
442	F	93.8	Very high	85.3	Confident	11 Å²	11	55.5 Å²	55.5	5%	0.048	31%	0.308	C	S	.	.	H	α-helix	trans	-58.9	-46.3	173.9	165	-107.6	0	0	0	111.7	A438 V439 M444 L445 L446 F455 F457 L481	A438-F442 PolarHBondContact O-N 3.29Å; V439-F442 WeakPolarHBondContact O-CA 3.44Å; V439-F442 WeakPolarHBondContact O-CB 3.46Å; V439-F442 PolarHBondContact O-N 2.79Å; V439-F442 VanDerWaalsContact O-N 3.08Å; F442-M444 VanDerWaalsContact C-N 3.34Å; F442-M444 PolarHBondContact O-N 2.92Å; F442-L445 CarbonylContact O-C 3.58Å; F442-L445 WeakPolarHBondContact O-CA 3.07Å; F442-L445 WeakPolarHBondContact O-CB 3.09Å; F442-L445 PolarHBondContact O-N 3.24Å; F442-L446 HydrophobicContact CD1-CD1 4.45Å; F442-L446 HydrophobicContact CD2-CG 4.44Å; F442-L446 HydrophobicContact CE1-CD1 3.79Å; F442-L446 HydrophobicContact CE1-CD2 4.44Å; F442-L446 HydrophobicContact CE1-CG 4.14Å; F442-L446 HydrophobicContact CE2-CD1 4.45Å; F442-L446 HydrophobicContact CE2-CD2 3.67Å; F442-L446 HydrophobicContact CE2-CG 3.97Å; F442-L446 HydrophobicContact CZ-CD1 3.8Å; F442-L446 HydrophobicContact CZ-CD2 3.64Å; F442-L446 HydrophobicContact CZ-CG 3.81Å; F442-L446 PolarHBondContact O-N 2.8Å; F442-F455 HydrophobicContact CE2-CB 4.26Å; F442-F457 HydrophobicContact CB-CB 4.5Å; F442-F457 HydrophobicContact CB-CD2 3.98Å; F442-F457 HydrophobicContact CD1-CB 3.75Å; F442-F457 HydrophobicContact CD2-CB 4.27Å; F442-F457 HydrophobicContact CE1-CB 3.95Å; F442-F457 HydrophobicContact CE2-CB 4.44Å; F442-F457 HydrophobicContact CG-CB 3.9Å; F442-F457 HydrophobicContact CG-CD2 4.19Å; F442-F457 HydrophobicContact CG-CG 4.46Å; F442-F457 HydrophobicContact CZ-CB 4.29Å; F442-L481 HydrophobicContact CD2-CD1 4Å; F442-L481 HydrophobicContact CD2-CD2 3.37Å; F442-L481 HydrophobicContact CD2-CG 4.33Å; F442-L481 HydrophobicContact CE2-CD1 4.03Å; F442-L481 HydrophobicContact CE2-CD2 3.74Å; F442-L481 HydrophobicContact CE2-CG 4.44Å; F442-L481 HydrophobicContact CG-CD2 4.3Å
443	E	90.1	Very high	85.6	Confident	105 Å²	105	64.9 Å²	64.9	49%	0.491	33%	0.328	S	S	.	.	H	α-helix	trans	-59.4	-42.9	174.8	-69	-57.2	141.3	0	0	112	V439 N440 L445 L446	V439-E443 PolarHBondContact O-N 2.8Å; N440-E443 PolarHBondContact O-N 2.8Å; E443-L445 VanDerWaalsContact C-N 3.31Å; E443-L445 PolarHBondContact O-N 2.04Å; E443-L446 WeakPolarHBondContact O-CB 3.27Å; E443-L446 PolarHBondContact O-N 3.4Å
444	M	92.3	Very high	85.6	Confident	59 Å²	59	65.3 Å²	65.3	29%	0.291	33%	0.325	S	S	.	.	H	α-helix	trans	-60.6	-39.8	172.9	-179.9	-179.2	-77.8	0	0	112.2	N440 V441 F442 G447 W736 P745 M748	N440-M444 PolarHBondContact O-N 2.79Å; V441-M444 WeakPolarHBondContact O-CB 3.21Å; V441-M444 PolarHBondContact O-N 2.88Å; F442-M444 VanDerWaalsContact C-N 3.34Å; F442-M444 PolarHBondContact O-N 2.92Å; M444-G447 PolarHBondContact O-N 2.93Å; M444-W736 HydrophobicContact SD-CZ2 4.36Å; M444-P745 HydrophobicContact CE-CB 3.53Å; M444-P745 VanDerWaalsContact CE-O 3.23Å; M444-P745 WeakPolarHBondContact CE-O 3.39Å; M444-P745 HydrophobicContact SD-CB 4.09Å; M444-M748 HydrophobicContact SD-CB 3.79Å
445	L	93.1	Very high	85.7	Confident	0 Å²	0	64 Å²	64	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-67.8	-36	177.2	-73.2	174	0	0	0	111.9	V441 F442 E443 G447 K448 L449 L479 C734 M748 A751 L801	V441-L445 HydrophobicContact CG1-CD1 4.19Å; V441-L445 HydrophobicContact CG1-CG 4.36Å; V441-L445 WeakPolarHBondContact O-CG 3.46Å; V441-L445 PolarHBondContact O-N 2.79Å; F442-L445 CarbonylContact O-C 3.58Å; F442-L445 WeakPolarHBondContact O-CA 3.07Å; F442-L445 WeakPolarHBondContact O-CB 3.09Å; F442-L445 PolarHBondContact O-N 3.24Å; E443-L445 VanDerWaalsContact C-N 3.31Å; E443-L445 PolarHBondContact O-N 2.04Å; L445-G447 PolarHBondContact O-N 3.4Å; L445-K448 CarbonylContact O-C 3.41Å; L445-K448 WeakPolarHBondContact O-CA 3.46Å; L445-K448 WeakPolarHBondContact O-CB 3.46Å; L445-K448 PolarHBondContact O-N 3.49Å; L445-L449 WeakPolarHBondContact O-CG 3.43Å; L445-L449 PolarHBondContact O-N 2.78Å; L445-L449 VanDerWaalsContact O-N 3.08Å; L445-L479 HydrophobicContact CD1-CD1 3.59Å; L445-C734 HydrophobicContact CD1-CB 4.12Å; L445-M748 HydrophobicContact CD2-SD 4.33Å; L445-A751 HydrophobicContact CD2-CB 3.61Å; L445-L801 HydrophobicContact CD2-CD2 3.84Å
446	L	89.1	Confident	85.8	Confident	25 Å²	25	63.4 Å²	63.4	13%	0.131	32%	0.318	C	S	.	.	H	α-helix	trans	-53.1	-42	176.5	-73.5	-176.7	0	0	0	111.4	F442 E443 K448 L449 P452 F455	F442-L446 HydrophobicContact CD1-CD1 4.45Å; F442-L446 HydrophobicContact CD2-CG 4.44Å; F442-L446 HydrophobicContact CE1-CD1 3.79Å; F442-L446 HydrophobicContact CE1-CD2 4.44Å; F442-L446 HydrophobicContact CE1-CG 4.14Å; F442-L446 HydrophobicContact CE2-CD1 4.45Å; F442-L446 HydrophobicContact CE2-CD2 3.67Å; F442-L446 HydrophobicContact CE2-CG 3.97Å; F442-L446 HydrophobicContact CZ-CD1 3.8Å; F442-L446 HydrophobicContact CZ-CD2 3.64Å; F442-L446 HydrophobicContact CZ-CG 3.81Å; F442-L446 PolarHBondContact O-N 2.8Å; E443-L446 WeakPolarHBondContact O-CB 3.27Å; E443-L446 PolarHBondContact O-N 3.4Å; L446-K448 PolarHBondContact O-N 3.12Å; L446-K448 VanDerWaalsContact O-N 3.1Å; L446-L449 HydrophobicContact CD2-CD1 4.38Å; L446-L449 PolarHBondContact O-N 2.83Å; L446-L449 VanDerWaalsContact O-N 3.17Å; L446-P452 HydrophobicContact CB-CB 3.9Å; L446-P452 HydrophobicContact CD2-CB 4.02Å; L446-P452 WeakPolarHBondContact CD2-O 3.22Å; L446-P452 HydrophobicContact CG-CB 4.46Å; L446-P452 WeakPolarHBondContact O-CB 3.04Å; L446-F455 HydrophobicContact CD2-CB 3.91Å
447	G	85.8	Confident	85.9	Confident	72 Å²	72	62 Å²	62	74%	0.742	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-14.6	174.8	0	0	0	0	0	115.2	M444 L445	M444-G447 PolarHBondContact O-N 2.93Å; L445-G447 PolarHBondContact O-N 3.4Å
448	K	85.9	Confident	85.3	Confident	95 Å²	95	66 Å²	66	41%	0.413	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-16.5	177.2	-60	-61.1	-176.1	-178.2	0	113.7	L445 L446 M748 L801	L445-K448 CarbonylContact O-C 3.41Å; L445-K448 WeakPolarHBondContact O-CA 3.46Å; L445-K448 WeakPolarHBondContact O-CB 3.46Å; L445-K448 PolarHBondContact O-N 3.49Å; L446-K448 PolarHBondContact O-N 3.12Å; L446-K448 VanDerWaalsContact O-N 3.1Å; K448-M748 HydrophobicContact CG-CE 4.33Å; K448-L801 HydrophobicContact CB-CD1 4.17Å; K448-L801 HydrophobicContact CB-CD2 4.01Å
449	L	85.3	Confident	84.9	Confident	10 Å²	10	72.3 Å²	72.3	5%	0.052	35%	0.353	C	S	.	.	S	Bend	trans	-85.4	140.3	-177.1	-63.6	172.5	0	0	0	111.3	L445 L446 Y451 F455 L481 C753 V800 L801	L445-L449 WeakPolarHBondContact O-CG 3.43Å; L445-L449 PolarHBondContact O-N 2.78Å; L445-L449 VanDerWaalsContact O-N 3.08Å; L446-L449 HydrophobicContact CD2-CD1 4.38Å; L446-L449 PolarHBondContact O-N 2.83Å; L446-L449 VanDerWaalsContact O-N 3.17Å; L449-Y451 PolarHBondContact O-N 2.86Å; L449-F455 HydrophobicContact CB-CD2 4.25Å; L449-F455 HydrophobicContact CB-CE2 4Å; L449-F455 HydrophobicContact CB-CZ 4.49Å; L449-F455 HydrophobicContact CD1-CB 4.38Å; L449-F455 HydrophobicContact CD1-CD1 4.11Å; L449-F455 HydrophobicContact CD1-CD2 3.94Å; L449-F455 HydrophobicContact CD1-CE1 4.34Å; L449-F455 HydrophobicContact CD1-CE2 4.22Å; L449-F455 HydrophobicContact CD1-CG 3.88Å; L449-F455 HydrophobicContact CD1-CZ 4.41Å; L449-L481 HydrophobicContact CD1-CD1 4.28Å; L449-C753 HydrophobicContact CD2-CB 4.14Å; L449-V800 HydrophobicContact CD2-CB 4.46Å; L449-V800 HydrophobicContact CD2-CG1 3.62Å; L449-L801 HydrophobicContact CD2-CB 3.93Å; L449-L801 HydrophobicContact CD2-CD2 4.47Å
450	K	75.8	Confident	84.8	Confident	170 Å²	170	71.2 Å²	71.2	74%	0.739	35%	0.345	S	S	*	.	S	Bend	trans	-67.9	116.7	168.8	-69	-173.4	179.3	-176.1	0	109.1
451	Y	76.9	Confident	84.4	Confident	160 Å²	160	70.6 Å²	70.6	63%	0.627	34%	0.341	S	S	*	.	S	Bend	trans	69.1	70.4	-177.5	-44.5	-76	0	0	0	113.5	L449 R453 K454 F455	L449-Y451 PolarHBondContact O-N 2.86Å; Y451-R453 VanDerWaalsContact C-N 3.27Å; Y451-R453 PolarHBondContact O-N 2.88Å; Y451-K454 HydrophobicContact CG-CD 4.37Å; Y451-K454 WeakPolarHBondContact O-CB 3.35Å; Y451-K454 PolarHBondContact O-N 3.1Å; Y451-F455 WeakPolarHBondContact O-CD2 3.43Å; Y451-F455 WeakPolarHBondContact O-CE2 3.18Å
452	P	77.5	Confident	84	Confident	59 Å²	59	71.3 Å²	71.3	38%	0.383	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-53.5	-39.5	-176.1	17.4	-30.5	0	0	0	113.8	L446 K454 F455	L446-P452 HydrophobicContact CB-CB 3.9Å; L446-P452 HydrophobicContact CD2-CB 4.02Å; L446-P452 WeakPolarHBondContact CD2-O 3.22Å; L446-P452 HydrophobicContact CG-CB 4.46Å; L446-P452 WeakPolarHBondContact O-CB 3.04Å; P452-K454 PolarHBondContact O-N 3.35Å; P452-F455 PolarHBondContact O-N 3.48Å
453	R	73.7	Confident	83.8	Confident	245 Å²	245	71.8 Å²	71.8	93%	0.925	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-58.8	-10.3	177.4	-63.6	-173.2	180	-176.2	-0.8	115	Y451	Y451-R453 VanDerWaalsContact C-N 3.27Å; Y451-R453 PolarHBondContact O-N 2.88Å
454	K	76.4	Confident	83.7	Confident	54 Å²	54	67.2 Å²	67.2	24%	0.235	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-89.7	1.4	176.2	-65	-173.5	179.3	164.3	0	113.7	Y451 P452 K483 T484	Y451-K454 HydrophobicContact CG-CD 4.37Å; Y451-K454 WeakPolarHBondContact O-CB 3.35Å; Y451-K454 PolarHBondContact O-N 3.1Å; P452-K454 PolarHBondContact O-N 3.35Å; K454-K483 CarbonylContact O-C 3.55Å; K454-K483 VanDerWaalsContact O-CA 3.25Å; K454-K483 WeakPolarHBondContact O-CA 3.47Å; K454-T484 VanDerWaalsContact CA-OG1 3.28Å; K454-T484 WeakPolarHBondContact CA-OG1 3.28Å; K454-T484 PolarHBondContact O-N 2.9Å; K454-T484 PolarHBondContact O-OG1 2.97Å
455	F	83.9	Confident	83.5	Confident	15 Å²	15	65.8 Å²	65.8	7%	0.066	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	137.5	-175.4	-59.6	-93.1	0	0	0	110.3	F442 L446 L449 Y451 P452 L482 K483 V732 V800	F442-F455 HydrophobicContact CE2-CB 4.26Å; L446-F455 HydrophobicContact CD2-CB 3.91Å; L449-F455 HydrophobicContact CB-CD2 4.25Å; L449-F455 HydrophobicContact CB-CE2 4Å; L449-F455 HydrophobicContact CB-CZ 4.49Å; L449-F455 HydrophobicContact CD1-CB 4.38Å; L449-F455 HydrophobicContact CD1-CD1 4.11Å; L449-F455 HydrophobicContact CD1-CD2 3.94Å; L449-F455 HydrophobicContact CD1-CE1 4.34Å; L449-F455 HydrophobicContact CD1-CE2 4.22Å; L449-F455 HydrophobicContact CD1-CG 3.88Å; L449-F455 HydrophobicContact CD1-CZ 4.41Å; Y451-F455 WeakPolarHBondContact O-CD2 3.43Å; Y451-F455 WeakPolarHBondContact O-CE2 3.18Å; P452-F455 PolarHBondContact O-N 3.48Å; F455-L482 CarbonylContact C-O 3.6Å; F455-L482 VanDerWaalsContact CA-O 3.25Å; F455-L482 WeakPolarHBondContact CA-O 2.85Å; F455-K483 HydrophobicContact CD1-CB 3.99Å; F455-K483 HydrophobicContact CD1-CG 4.1Å; F455-K483 HydrophobicContact CE1-CB 3.86Å; F455-K483 HydrophobicContact CE1-CD 3.68Å; F455-K483 HydrophobicContact CE1-CG 3.69Å; F455-K483 HydrophobicContact CZ-CD 3.8Å; F455-K483 HydrophobicContact CZ-CG 4Å; F455-V732 HydrophobicContact CE1-CG1 4.45Å; F455-V732 HydrophobicContact CE1-CG2 4.12Å; F455-V800 HydrophobicContact CE1-CG1 3.84Å; F455-V800 HydrophobicContact CZ-CG1 3.53Å
456	S	82.7	Confident	83.3	Confident	48 Å²	48	65.8 Å²	65.8	34%	0.336	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	147.9	166.2	59.3	0	0	0	0	109.9	L458 L481 L482	S456-L458 PolarHBondContact O-N 3.08Å; S456-L481 CarbonylContact O-C 3.5Å; S456-L481 VanDerWaalsContact O-CA 3.27Å; S456-L481 WeakPolarHBondContact O-CA 3.5Å; S456-L481 WeakPolarHBondContact O-CB 2.83Å; S456-L482 PolarHBondContact N-O 2.74Å; S456-L482 PolarHBondContact O-N 2.72Å; S456-L482 VanDerWaalsContact OG-CB 3.26Å; S456-L482 WeakPolarHBondContact OG-CB 3.33Å
457	F	84.1	Confident	83.1	Confident	58 Å²	58	68.8 Å²	68.8	25%	0.254	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	128.9	170.5	-178.1	-105	0	0	0	109.2	A438 V439 F442 L460 L479 L481	A438-F457 HydrophobicContact CB-CE2 4.47Å; A438-F457 HydrophobicContact CB-CZ 4.31Å; V439-F457 HydrophobicContact CG2-CD1 4.46Å; V439-F457 HydrophobicContact CG2-CE1 4.39Å; F442-F457 HydrophobicContact CB-CB 4.5Å; F442-F457 HydrophobicContact CB-CD2 3.98Å; F442-F457 HydrophobicContact CD1-CB 3.75Å; F442-F457 HydrophobicContact CD2-CB 4.27Å; F442-F457 HydrophobicContact CE1-CB 3.95Å; F442-F457 HydrophobicContact CE2-CB 4.44Å; F442-F457 HydrophobicContact CG-CB 3.9Å; F442-F457 HydrophobicContact CG-CD2 4.19Å; F442-F457 HydrophobicContact CG-CG 4.46Å; F442-F457 HydrophobicContact CZ-CB 4.29Å; F457-L460 HydrophobicContact CZ-CB 4.22Å; F457-L479 HydrophobicContact CD2-CD2 4.43Å; F457-L479 HydrophobicContact CE2-CD2 3.65Å; F457-L481 HydrophobicContact CD2-CD2 4.05Å
458	L	79.2	Confident	82.8	Confident	85 Å²	85	65.4 Å²	65.4	45%	0.445	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	-54.6	176.9	-176.5	65.1	0	0	0	111	S456 K480 L482	S456-L458 PolarHBondContact O-N 3.08Å; L458-K480 WeakPolarHBondContact CA-O 3.43Å; L458-K480 VanDerWaalsContact CB-O 3.27Å; L458-K480 WeakPolarHBondContact CB-O 3.46Å; L458-K480 HydrophobicContact CD2-CD 3.84Å; L458-K480 HydrophobicContact CD2-CG 3.96Å; L458-K480 PolarHBondContact N-O 2.78Å; L458-L482 HydrophobicContact CD2-CD1 4.45Å
459	K	82.9	Confident	82.1	Confident	133 Å²	133	64.3 Å²	64.3	58%	0.578	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-162.9	149.7	-178.4	-173.3	166	179.5	171.8	0	112.7	K480	K459-K480 PolarHBondContact N-O 3.09Å; K459-K480 PolarHBondContact O-N 3.45Å
460	L	86.4	Confident	81.3	Confident	34 Å²	34	71.7 Å²	71.7	18%	0.178	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	118.7	163.1	178.7	65.1	0	0	0	109.9	K434 A438 F457 A463 Q478 L479	K434-L460 HydrophobicContact CB-CD2 4.42Å; A438-L460 HydrophobicContact CB-CB 4.22Å; A438-L460 HydrophobicContact CB-CD1 3.85Å; A438-L460 HydrophobicContact CB-CD2 4.06Å; A438-L460 HydrophobicContact CB-CG 4.26Å; F457-L460 HydrophobicContact CZ-CB 4.22Å; L460-A463 HydrophobicContact CD1-CB 4.12Å; L460-A463 HydrophobicContact CD2-CB 4.06Å; L460-Q478 WeakPolarHBondContact CD1-O 2.99Å; L460-L479 HydrophobicContact CD1-CD2 4.09Å
461	L	83.9	Confident	81.1	Confident	44 Å²	44	66.7 Å²	66.7	23%	0.23	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	-44.8	179.5	-63.8	177.8	0	0	0	112	Q478 K480 Y733 M767	L461-Q478 HydrophobicContact CB-CB 4.08Å; L461-Q478 WeakPolarHBondContact CB-O 3.03Å; L461-Q478 PolarHBondContact N-O 3.22Å; L461-K480 HydrophobicContact CD1-CB 4.19Å; L461-K480 HydrophobicContact CD2-CB 4.19Å; L461-K480 HydrophobicContact CD2-CD 4.25Å; L461-K480 HydrophobicContact CG-CB 4.07Å; L461-Y733 HydrophobicContact CD1-CD1 3.76Å; L461-Y733 HydrophobicContact CD1-CE1 3.99Å; L461-M767 HydrophobicContact CD1-CE 4.3Å
462	A	86	Confident	81.2	Confident	15 Å²	15	63 Å²	63	12%	0.124	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	147.9	179.1	0	0	0	0	0	110.2	M477 Q478 I772	A462-M477 CarbonylContact O-C 3.57Å; A462-M477 WeakPolarHBondContact O-CA 3.49Å; A462-Q478 HydrophobicContact CB-CB 4.41Å; A462-Q478 PolarHBondContact N-O 2.7Å; A462-Q478 PolarHBondContact O-N 2.05Å; A462-I772 HydrophobicContact CB-CD1 3.56Å; A462-I772 HydrophobicContact CB-CG1 4.33Å
463	A	88.5	Confident	81.7	Confident	21 Å²	21	65.1 Å²	65.1	17%	0.174	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	143.4	174.4	0	0	0	0	0	111.1	W429 L460 I476 M477	W429-A463 HydrophobicContact CE3-CB 4.47Å; W429-A463 HydrophobicContact CZ3-CB 3.86Å; L460-A463 HydrophobicContact CD1-CB 4.12Å; L460-A463 HydrophobicContact CD2-CB 4.06Å; A463-I476 CarbonylContact C-O 3.6Å; A463-I476 VanDerWaalsContact CA-O 3.29Å; A463-I476 WeakPolarHBondContact CA-O 3.46Å; A463-M477 HydrophobicContact CB-CG 4.05Å
464	S	88.2	Confident	82.5	Confident	10 Å²	10	53.8 Å²	53.8	7%	0.07	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	141.1	177.5	-58	0	0	0	0	111.3	V475 I476	S464-V475 WeakPolarHBondContact O-CA 3.23Å; S464-I476 PolarHBondContact N-O 3.33Å; S464-I476 PolarHBondContact O-N 2.89Å
465	K	88.8	Confident	83.2	Confident	28 Å²	28	51.3 Å²	51.3	12%	0.122	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	127.1	164.1	-81.9	178.7	-179.3	-176.7	0	108.1	L427 W429 H474 V475 D743	L427-K465 HydrophobicContact CB-CB 3.74Å; L427-K465 HydrophobicContact CD1-CB 4.31Å; L427-K465 PolarHBondContact N-O 2.97Å; W429-K465 HydrophobicContact CB-CD 4.07Å; W429-K465 HydrophobicContact CB-CG 4.41Å; W429-K465 HydrophobicContact CD2-CD 3.92Å; W429-K465 HydrophobicContact CD2-CG 3.92Å; W429-K465 HydrophobicContact CE3-CD 4.33Å; W429-K465 HydrophobicContact CE3-CG 3.8Å; W429-K465 HydrophobicContact CG-CD 3.81Å; W429-K465 HydrophobicContact CG-CG 4.22Å; W429-K465 HydrophobicContact CZ3-CG 4.3Å; K465-H474 CarbonylContact C-O 3.58Å; K465-V475 HydrophobicContact CB-CG2 4.49Å; K465-V475 HydrophobicContact CG-CG2 3.57Å; K465-D743 IonicContact NZ-OD1 3.6Å; K465-D743 PolarHBondContact NZ-OD1 2.82Å
466	C	88	Confident	83.6	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	138.5	-173.8	-48.6	0	0	0	0	110.6	E425 A468 H474 C773 Y784	E425-C466 WeakPolarHBondContact O-CA 3.32Å; C466-A468 PolarHBondContact O-N 2.72Å; C466-H474 PolarHBondContact N-O 2.78Å; C466-H474 PolarHBondContact O-N 3.16Å; C466-C773 VanDerWaalsContact CA-SG 3.54Å; C466-C773 HydrophobicContact CB-CB 3.76Å; C466-C773 WeakPolarHBondContact CB-SG 3.41Å; C466-C773 WeakPolarHBondContact SG-CA 3.47Å; C466-C773 WeakPolarHBondContact SG-CB 3.37Å; C466-C773 CovalentContact SG-SG 2.03Å; C466-C773 PolarHBondContact SG-SG 2.78Å; C466-Y784 HydrophobicContact CB-CE1 4.15Å; C466-Y784 HydrophobicContact CB-CE2 3.87Å; C466-Y784 VanDerWaalsContact CB-CZ 3.49Å; C466-Y784 VanDerWaalsContact CB-OH 3.23Å; C466-Y784 WeakPolarHBondContact CB-OH 2.86Å
467	K	85.1	Confident	84	Confident	88 Å²	88	48.3 Å²	48.3	38%	0.383	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	117.1	174.4	-69.7	-178	-176.3	163.9	0	112	S424 E425 L427 Y784	S424-K467 WeakPolarHBondContact O-CD 3.32Å; S424-K467 VanDerWaalsContact O-CE 3.28Å; S424-K467 WeakPolarHBondContact O-CE 3.45Å; S424-K467 PolarHBondContact O-NZ 3.23Å; E425-K467 HydrophobicContact CB-CB 4.45Å; E425-K467 PolarHBondContact O-N 3.41Å; L427-K467 HydrophobicContact CD1-CG 4.14Å; L427-K467 HydrophobicContact CD2-CD 4.36Å; L427-K467 VanDerWaalsContact CD2-CE 3.42Å; L427-K467 HydrophobicContact CD2-CG 3.98Å; L427-K467 HydrophobicContact CG-CG 4.03Å; K467-Y784 PolarHBondContact O-OH 2.92Å
468	A	80.3	Confident	84.2	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.008	24%	0.244	C	C	.	.			trans	-92.6	-176.3	178.5	0	0	0	0	0	113.5	C466 E472 H474 K782	C466-A468 PolarHBondContact O-N 2.72Å; A468-E472 WeakPolarHBondContact CA-O 3.12Å; A468-E472 HydrophobicContact CB-CB 4.19Å; A468-E472 VanDerWaalsContact CB-O 3.3Å; A468-E472 WeakPolarHBondContact CB-O 3.42Å; A468-E472 PolarHBondContact N-O 3.48Å; A468-H474 HydrophobicContact CB-CB 4.34Å; A468-H474 VanDerWaalsContact CB-CE1 3.48Å; A468-H474 WeakPolarHBondContact CB-CE1 3.14Å; A468-K782 VanDerWaalsContact O-CD 3.27Å; A468-K782 WeakPolarHBondContact O-CD 3.43Å
469	Q	71.2	Confident	84.8	Confident	73 Å²	73	41.6 Å²	41.6	34%	0.341	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-60.6	151	172.4	-74.1	-169.9	-34.3	0	0	110.7	G471 E472 K782 F783	Q469-G471 PolarHBondContact O-N 3.44Å; Q469-E472 PolarHBondContact O-N 3.17Å; Q469-K782 HydrophobicContact CB-CB 4.44Å; Q469-K782 HydrophobicContact CG-CB 3.7Å; Q469-K782 HydrophobicContact CG-CG 4.43Å; Q469-K782 PolarHBondContact N-O 2.89Å; Q469-F783 HydrophobicContact CG-CD2 4.4Å
470	N	68.5	Low	85	Confident	164 Å²	164	36.3 Å²	36.3	88%	0.877	20%	0.2	S	C	*	.	G	3₁₀ helix	trans	61.4	8.5	-179.8	-52.6	-17.8	0	0	0	116.2
471	G	70.2	Confident	85.2	Confident	65 Å²	65	34.7 Å²	34.7	67%	0.67	19%	0.191	S	C	*	.	G	3₁₀ helix	trans	89.5	4.7	-179.9	0	0	0	0	0	114.7	Q469	Q469-G471 PolarHBondContact O-N 3.44Å
472	E	80.4	Confident	85.1	Confident	83 Å²	83	34.3 Å²	34.3	39%	0.388	19%	0.189	S	C	.	.	P	Polyproline II helix	trans	-65.3	152.9	173.2	-68.5	-176.2	137	0	0	111.7	A468 Q469 H474 R814	A468-E472 WeakPolarHBondContact CA-O 3.12Å; A468-E472 HydrophobicContact CB-CB 4.19Å; A468-E472 VanDerWaalsContact CB-O 3.3Å; A468-E472 WeakPolarHBondContact CB-O 3.42Å; A468-E472 PolarHBondContact N-O 3.48Å; Q469-E472 PolarHBondContact O-N 3.17Å; E472-H474 IonicContact OE2-NE2 3.42Å; E472-R814 IonicContact OE1-CZ 2.76Å; E472-R814 IonicContact OE1-NH2 2.82Å; E472-R814 PolarHBondContact OE1-NH2 3.48Å; E472-R814 IonicContact OE2-CZ 2.79Å; E472-R814 IonicContact OE2-NH2 3.1Å; E472-R814 PolarHBondContact OE2-NH2 3.13Å
473	E	86.9	Confident	84.8	Confident	103 Å²	103	36 Å²	36	48%	0.481	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	121.7	173.2	-59.7	-171.3	176.4	0	0	110.2	L427	L427-E473 HydrophobicContact CD1-CB 4.29Å; L427-E473 HydrophobicContact CD1-CG 3.62Å
474	H	90.4	Very high	83.6	Confident	7 Å²	7	37.2 Å²	37.2	3%	0.032	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	142.3	171.2	-72	179.9	0	0	0	110.1	K465 C466 A468 E472 G738 L749 Y784	K465-H474 CarbonylContact C-O 3.58Å; C466-H474 PolarHBondContact N-O 2.78Å; C466-H474 PolarHBondContact O-N 3.16Å; A468-H474 HydrophobicContact CB-CB 4.34Å; A468-H474 VanDerWaalsContact CB-CE1 3.48Å; A468-H474 WeakPolarHBondContact CB-CE1 3.14Å; E472-H474 IonicContact OE2-NE2 3.42Å; H474-G738 CarbonylContact C-O 3.47Å; H474-G738 WeakPolarHBondContact CA-O 3.29Å; H474-L749 VanDerWaalsContact CE1-CD1 3.42Å; H474-L749 WeakPolarHBondContact CE1-CD1 3.26Å; H474-L749 WeakPolarHBondContact NE2-CD1 2.77Å; H474-Y784 HydrophobicContact CB-CD2 4.12Å; H474-Y784 HydrophobicContact CB-CE2 3.99Å; H474-Y784 AromaticContact ND1-CD2 3.68Å; H474-Y784 AromaticContact ND1-CE2 3.89Å
475	V	91.7	Very high	82.2	Confident	2 Å²	2	38.6 Å²	38.6	1%	0.012	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	131.6	174.4	172	0	0	0	0	109.2	W429 S464 K465 M477 W736 I737 G738 L740	W429-V475 HydrophobicContact CH2-CG1 3.66Å; W429-V475 HydrophobicContact CH2-CG2 4.39Å; W429-V475 HydrophobicContact CZ3-CG1 3.68Å; W429-V475 HydrophobicContact CZ3-CG2 4.42Å; S464-V475 WeakPolarHBondContact O-CA 3.23Å; K465-V475 HydrophobicContact CB-CG2 4.49Å; K465-V475 HydrophobicContact CG-CG2 3.57Å; V475-M477 HydrophobicContact CG1-CE 4Å; V475-M477 HydrophobicContact CG1-CG 3.93Å; V475-W736 HydrophobicContact CB-CZ3 3.95Å; V475-W736 HydrophobicContact CG1-CZ3 3.88Å; V475-I737 WeakPolarHBondContact O-CA 3.4Å; V475-G738 PolarHBondContact N-O 2.84Å; V475-G738 PolarHBondContact O-N 3.03Å; V475-L740 HydrophobicContact CB-CD1 4.41Å; V475-L740 HydrophobicContact CB-CG 4.27Å; V475-L740 HydrophobicContact CG2-CD1 3.64Å; V475-L740 HydrophobicContact CG2-CG 3.75Å
476	I	91.3	Very high	80.2	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	126.9	175	-47.9	177.7	0	0	0	107.8	A463 S464 W736 I737 I772 W776 Y784	A463-I476 CarbonylContact C-O 3.6Å; A463-I476 VanDerWaalsContact CA-O 3.29Å; A463-I476 WeakPolarHBondContact CA-O 3.46Å; S464-I476 PolarHBondContact N-O 3.33Å; S464-I476 PolarHBondContact O-N 2.89Å; I476-W736 CarbonylContact C-O 3.58Å; I476-W736 WeakPolarHBondContact CA-O 2.79Å; I476-I737 HydrophobicContact CG1-CG1 4.25Å; I476-I737 HydrophobicContact CG1-CG2 4.45Å; I476-I737 HydrophobicContact CG2-CG1 4.08Å; I476-I772 HydrophobicContact CB-CG2 3.76Å; I476-I772 HydrophobicContact CD1-CG2 4.02Å; I476-I772 HydrophobicContact CG1-CG2 4.5Å; I476-I772 HydrophobicContact CG2-CG2 3.41Å; I476-I772 VanDerWaalsContact CG2-CG2 3.41Å; I476-W776 HydrophobicContact CD1-CB 4.26Å; I476-W776 HydrophobicContact CG2-CD2 4.24Å; I476-W776 HydrophobicContact CG2-CE3 3.75Å; I476-W776 HydrophobicContact CG2-CZ3 4.02Å; I476-Y784 HydrophobicContact CD1-CD1 3.79Å; I476-Y784 HydrophobicContact CD1-CD2 4.28Å; I476-Y784 HydrophobicContact CD1-CE1 4.4Å; I476-Y784 HydrophobicContact CD1-CG 3.74Å
477	M	91.2	Very high	78.3	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	147.8	179.4	-68.5	-168.7	172.1	0	0	111.8	W429 T437 A438 V441 A462 A463 V475 L479 S735 W736	W429-M477 HydrophobicContact CH2-CE 3.37Å; W429-M477 HydrophobicContact CZ2-CE 4.27Å; W429-M477 HydrophobicContact CZ3-CE 4.12Å; T437-M477 HydrophobicContact CG2-CE 3.33Å; A438-M477 HydrophobicContact CB-CE 4.36Å; A438-M477 HydrophobicContact CB-SD 4.08Å; V441-M477 HydrophobicContact CB-SD 4.03Å; V441-M477 HydrophobicContact CG1-SD 4.38Å; V441-M477 HydrophobicContact CG2-CE 4.28Å; V441-M477 HydrophobicContact CG2-SD 3.68Å; A462-M477 CarbonylContact O-C 3.57Å; A462-M477 WeakPolarHBondContact O-CA 3.49Å; A463-M477 HydrophobicContact CB-CG 4.05Å; V475-M477 HydrophobicContact CG1-CE 4Å; V475-M477 HydrophobicContact CG1-CG 3.93Å; M477-L479 HydrophobicContact CB-CG 4.45Å; M477-L479 HydrophobicContact SD-CD2 4.48Å; M477-S735 CarbonylContact O-C 3.48Å; M477-S735 WeakPolarHBondContact O-CA 3.42Å; M477-W736 HydrophobicContact CB-CE3 4.48Å; M477-W736 HydrophobicContact CG-CE3 4.34Å; M477-W736 PolarHBondContact N-O 3.08Å; M477-W736 PolarHBondContact O-N 3.47Å
478	Q	89.7	Confident	76.3	Confident	2 Å²	2	48.9 Å²	48.9	1%	0.009	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	120.6	170.4	-59.4	-160.9	33.3	0	0	109.6	L460 L461 A462 C734 M767 W776	L460-Q478 WeakPolarHBondContact CD1-O 2.99Å; L461-Q478 HydrophobicContact CB-CB 4.08Å; L461-Q478 WeakPolarHBondContact CB-O 3.03Å; L461-Q478 PolarHBondContact N-O 3.22Å; A462-Q478 HydrophobicContact CB-CB 4.41Å; A462-Q478 PolarHBondContact N-O 2.7Å; A462-Q478 PolarHBondContact O-N 2.05Å; Q478-C734 CarbonylContact C-O 3.58Å; Q478-C734 WeakPolarHBondContact CA-O 3.37Å; Q478-M767 PolarHBondContact NE2-O 3.42Å; Q478-M767 PolarHBondContact OE1-O 2.79Å; Q478-W776 HydrophobicContact CG-CH2 4.49Å; Q478-W776 HydrophobicContact CG-CZ2 4.33Å
479	L	90.4	Very high	74.5	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	138	-169.5	-53	144.8	0	0	0	108.1	A438 V441 L445 F457 L460 M477 L481 C734	A438-L479 HydrophobicContact CB-CD2 3.86Å; V441-L479 HydrophobicContact CG1-CD1 3.74Å; L445-L479 HydrophobicContact CD1-CD1 3.59Å; F457-L479 HydrophobicContact CD2-CD2 4.43Å; F457-L479 HydrophobicContact CE2-CD2 3.65Å; L460-L479 HydrophobicContact CD1-CD2 4.09Å; M477-L479 HydrophobicContact CB-CG 4.45Å; M477-L479 HydrophobicContact SD-CD2 4.48Å; L479-L481 HydrophobicContact CB-CD2 4.38Å; L479-C734 HydrophobicContact CB-CB 4.24Å; L479-C734 HydrophobicContact CD1-CB 4.44Å; L479-C734 PolarHBondContact N-O 3.34Å; L479-C734 PolarHBondContact O-N 3.16Å
480	K	88.7	Confident	73.3	Confident	22 Å²	22	57.1 Å²	57.1	10%	0.096	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	126	169	-164	175.5	-178.9	166.1	0	107.8	L458 K459 L461 R731 Y733 E764	L458-K480 WeakPolarHBondContact CA-O 3.43Å; L458-K480 VanDerWaalsContact CB-O 3.27Å; L458-K480 WeakPolarHBondContact CB-O 3.46Å; L458-K480 HydrophobicContact CD2-CD 3.84Å; L458-K480 HydrophobicContact CD2-CG 3.96Å; L458-K480 PolarHBondContact N-O 2.78Å; K459-K480 PolarHBondContact N-O 3.09Å; K459-K480 PolarHBondContact O-N 3.45Å; L461-K480 HydrophobicContact CD1-CB 4.19Å; L461-K480 HydrophobicContact CD2-CB 4.19Å; L461-K480 HydrophobicContact CD2-CD 4.25Å; L461-K480 HydrophobicContact CG-CB 4.07Å; K480-R731 VanDerWaalsContact NZ-NH1 3.19Å; K480-Y733 HydrophobicContact CD-CE1 4.04Å; K480-Y733 WeakPolarHBondContact CE-OH 3.26Å; K480-Y733 HydrophobicContact CG-CD1 4.33Å; K480-Y733 HydrophobicContact CG-CE1 3.99Å; K480-E764 IonicContact NZ-OE1 3.9Å; K480-E764 PolarHBondContact NZ-OE1 2.89Å
481	L	89	Confident	71.9	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	152.5	177.7	-48.5	-175.9	0	0	0	109.7	F442 L449 S456 F457 L479 V732 C734	F442-L481 HydrophobicContact CD2-CD1 4Å; F442-L481 HydrophobicContact CD2-CD2 3.37Å; F442-L481 HydrophobicContact CD2-CG 4.33Å; F442-L481 HydrophobicContact CE2-CD1 4.03Å; F442-L481 HydrophobicContact CE2-CD2 3.74Å; F442-L481 HydrophobicContact CE2-CG 4.44Å; F442-L481 HydrophobicContact CG-CD2 4.3Å; L449-L481 HydrophobicContact CD1-CD1 4.28Å; S456-L481 CarbonylContact O-C 3.5Å; S456-L481 VanDerWaalsContact O-CA 3.27Å; S456-L481 WeakPolarHBondContact O-CA 3.5Å; S456-L481 WeakPolarHBondContact O-CB 2.83Å; F457-L481 HydrophobicContact CD2-CD2 4.05Å; L479-L481 HydrophobicContact CB-CD2 4.38Å; L481-V732 HydrophobicContact CB-CB 4.2Å; L481-V732 PolarHBondContact N-O 3.24Å; L481-V732 PolarHBondContact O-N 2.91Å; L481-C734 WeakPolarHBondContact CD1-SG 3.48Å
482	L	81.7	Confident	70.8	Confident	36 Å²	36	57.2 Å²	57.2	19%	0.188	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	129.4	164.8	-151.1	86.7	0	0	0	108.1	F455 S456 L458 T484 M726 P729	F455-L482 CarbonylContact C-O 3.6Å; F455-L482 VanDerWaalsContact CA-O 3.25Å; F455-L482 WeakPolarHBondContact CA-O 2.85Å; S456-L482 PolarHBondContact N-O 2.74Å; S456-L482 PolarHBondContact O-N 2.72Å; S456-L482 VanDerWaalsContact OG-CB 3.26Å; S456-L482 WeakPolarHBondContact OG-CB 3.33Å; L458-L482 HydrophobicContact CD2-CD1 4.45Å; L482-T484 HydrophobicContact CD2-CG2 4.41Å; L482-M726 HydrophobicContact CD2-CE 3.68Å; L482-P729 HydrophobicContact CD1-CB 3.51Å; L482-P729 HydrophobicContact CD1-CG 4.32Å; L482-P729 HydrophobicContact CD2-CB 4.08Å; L482-P729 HydrophobicContact CG-CB 3.77Å
483	K	80	Confident	69.3	Low	52 Å²	52	57.1 Å²	57.1	23%	0.226	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	112.2	165.1	-174.2	178.6	-175.8	171.9	0	109.8	K454 F455 R730 V732	K454-K483 CarbonylContact O-C 3.55Å; K454-K483 VanDerWaalsContact O-CA 3.25Å; K454-K483 WeakPolarHBondContact O-CA 3.47Å; F455-K483 HydrophobicContact CD1-CB 3.99Å; F455-K483 HydrophobicContact CD1-CG 4.1Å; F455-K483 HydrophobicContact CE1-CB 3.86Å; F455-K483 HydrophobicContact CE1-CD 3.68Å; F455-K483 HydrophobicContact CE1-CG 3.69Å; F455-K483 HydrophobicContact CZ-CD 3.8Å; F455-K483 HydrophobicContact CZ-CG 4Å; K483-R730 HydrophobicContact CB-CB 4.31Å; K483-R730 WeakPolarHBondContact CB-O 3.26Å; K483-R730 PolarHBondContact N-O 2.71Å; K483-R730 PolarHBondContact O-N 3.41Å; K483-V732 HydrophobicContact CB-CG2 3.72Å; K483-V732 HydrophobicContact CD-CG2 4.29Å
484	T	64.8	Low	67.5	Low	45 Å²	45	56 Å²	56	28%	0.276	28%	0.276	S	S	.	.			trans	-69.2	139	174.4	62.1	0	0	0	0	110	K454 L482 M726	K454-T484 VanDerWaalsContact CA-OG1 3.28Å; K454-T484 WeakPolarHBondContact CA-OG1 3.28Å; K454-T484 PolarHBondContact O-N 2.9Å; K454-T484 PolarHBondContact O-OG1 2.97Å; L482-T484 HydrophobicContact CD2-CG2 4.41Å; T484-M726 HydrophobicContact CG2-CE 4.21Å; T484-M726 HydrophobicContact CG2-SD 3.89Å
485	G	57.3	Low	65.8	Low	40 Å²	40	59.5 Å²	59.5	41%	0.412	31%	0.306	S	S	.	.			trans	-65.8	174.7	-178.5	0	0	0	0	0	112.9	C487	G485-C487 PolarHBondContact O-N 3.32Å
486	K	46.8	Very low	64.4	Low	177 Å²	177	67.9 Å²	67.9	77%	0.77	34%	0.337	S	S	*	.			trans	-69.8	99.6	169.6	-72.9	-175.1	178	-175.4	0	108.7	H488	K486-H488 HydrophobicContact CB-CB 4.45Å; K486-H488 PolarHBondContact O-N 3.41Å
487	C	49.6	Very low	63	Low	47 Å²	47	69.6 Å²	69.6	32%	0.318	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	25.2	164.1	-84.6	0	0	0	0	113.1	G485 R489 A490 E491	G485-C487 PolarHBondContact O-N 3.32Å; C487-R489 PolarHBondContact O-N 3.5Å; C487-A490 HydrophobicContact CB-CB 4.39Å; C487-A490 PolarHBondContact O-N 3.02Å; C487-E491 PolarHBondContact O-N 2.94Å
488	H	41.8	Very low	62.3	Low	108 Å²	108	74 Å²	74	50%	0.5	37%	0.369	S	S	.	.	H	α-helix	trans	-68.9	-21.6	-172.6	-140	48.3	0	0	0	112.8	K486 E491 K492	K486-H488 HydrophobicContact CB-CB 4.45Å; K486-H488 PolarHBondContact O-N 3.41Å; H488-E491 IonicContact CE1-OE2 2.58Å; H488-E491 IonicContact CG-OE2 2.84Å; H488-E491 IonicContact ND1-OE2 2.84Å; H488-E491 PolarHBondContact ND1-OE2 2.51Å; H488-K492 VanDerWaalsContact O-CB 3.3Å; H488-K492 WeakPolarHBondContact O-CB 3.46Å; H488-K492 PolarHBondContact O-N 3.08Å
489	R	42.1	Very low	61.5	Low	205 Å²	205	77 Å²	77	77%	0.774	38%	0.383	S	S	*	.	H	α-helix	trans	-71	-47.4	170.4	-157.9	174.8	-162.2	167.5	5	110.1	C487 E491 K492 E493	C487-R489 PolarHBondContact O-N 3.5Å; R489-E491 PolarHBondContact O-N 3.23Å; R489-K492 PolarHBondContact O-N 2.69Å; R489-E493 HydrophobicContact CG-CG 4.3Å; R489-E493 WeakPolarHBondContact O-CB 3.5Å; R489-E493 VanDerWaalsContact O-CG 3.22Å; R489-E493 WeakPolarHBondContact O-CG 3.44Å; R489-E493 PolarHBondContact O-N 3.08Å
490	A	46.6	Very low	60.9	Low	41 Å²	41	80.8 Å²	80.8	34%	0.339	41%	0.409	S	S	.	.	H	α-helix	trans	-60.8	-43.9	175.1	0	0	0	0	0	111.8	C487 E493 L494	C487-A490 HydrophobicContact CB-CB 4.39Å; C487-A490 PolarHBondContact O-N 3.02Å; A490-E493 PolarHBondContact O-N 2.94Å; A490-L494 WeakPolarHBondContact O-CB 3.34Å; A490-L494 WeakPolarHBondContact O-CD1 3.41Å; A490-L494 WeakPolarHBondContact O-CG 3.19Å; A490-L494 PolarHBondContact O-N 2.9Å
491	E	39.9	Very low	60.1	Low	112 Å²	112	85.2 Å²	85.2	52%	0.523	43%	0.43	S	S	.	.	H	α-helix	trans	-64.7	-42.9	177.3	-69.6	171.2	164.2	0	0	113	C487 H488 R489 A495	C487-E491 PolarHBondContact O-N 2.94Å; H488-E491 IonicContact CE1-OE2 2.58Å; H488-E491 IonicContact CG-OE2 2.84Å; H488-E491 IonicContact ND1-OE2 2.84Å; H488-E491 PolarHBondContact ND1-OE2 2.51Å; R489-E491 PolarHBondContact O-N 3.23Å; E491-A495 VanDerWaalsContact O-CB 3.28Å; E491-A495 WeakPolarHBondContact O-CB 3.4Å; E491-A495 PolarHBondContact O-N 2.69Å
492	K	46.6	Very low	59.4	Low	120 Å²	120	88 Å²	88	52%	0.522	45%	0.445	S	S	.	.	H	α-helix	trans	-69.5	-37.8	176	-87	-170.4	173.2	-172.9	0	112.8	H488 R489 R496	H488-K492 VanDerWaalsContact O-CB 3.3Å; H488-K492 WeakPolarHBondContact O-CB 3.46Å; H488-K492 PolarHBondContact O-N 3.08Å; R489-K492 PolarHBondContact O-N 2.69Å; K492-R496 WeakPolarHBondContact O-CG 3.45Å; K492-R496 PolarHBondContact O-N 3.08Å
493	E	48.2	Very low	59.4	Low	80 Å²	80	89.9 Å²	89.9	37%	0.374	45%	0.449	S	S	.	.	H	α-helix	trans	-68.8	-45.9	175	-65.4	-42.4	143.4	0	0	109.7	R489 A490 A495 R496 I497	R489-E493 HydrophobicContact CG-CG 4.3Å; R489-E493 WeakPolarHBondContact O-CB 3.5Å; R489-E493 VanDerWaalsContact O-CG 3.22Å; R489-E493 WeakPolarHBondContact O-CG 3.44Å; R489-E493 PolarHBondContact O-N 3.08Å; A490-E493 PolarHBondContact O-N 2.94Å; E493-A495 VanDerWaalsContact C-N 3.29Å; E493-A495 PolarHBondContact O-N 2.7Å; E493-R496 CarbonylContact O-C 3.58Å; E493-R496 WeakPolarHBondContact O-CA 3.47Å; E493-R496 WeakPolarHBondContact O-CB 3.37Å; E493-R496 PolarHBondContact O-N 3.03Å; E493-R496 IonicContact OE1-NH1 3.92Å; E493-R496 PolarHBondContact OE1-NH1 2.81Å; E493-R496 IonicContact OE2-NH1 3.98Å; E493-I497 WeakPolarHBondContact O-CG1 3.36Å; E493-I497 PolarHBondContact O-N 3.08Å; E493-I497 VanDerWaalsContact O-N 3.12Å
494	L	50.5	Low	59.6	Low	81 Å²	81	90.6 Å²	90.6	42%	0.424	45%	0.453	S	S	.	.	H	α-helix	trans	-53.6	-45.2	172.2	-78.9	161.4	0	0	0	111.5	A490 R496 I497 H499	A490-L494 WeakPolarHBondContact O-CB 3.34Å; A490-L494 WeakPolarHBondContact O-CD1 3.41Å; A490-L494 WeakPolarHBondContact O-CG 3.19Å; A490-L494 PolarHBondContact O-N 2.9Å; L494-R496 PolarHBondContact O-N 2.84Å; L494-I497 HydrophobicContact CD2-CD1 4.2Å; L494-I497 PolarHBondContact O-N 2.97Å; L494-I497 VanDerWaalsContact O-N 3.12Å; L494-H499 PolarHBondContact O-CE1 3.02Å; L494-H499 PolarHBondContact O-NE2 2.88Å
495	A	54.4	Low	60.4	Low	80 Å²	80	89 Å²	89	66%	0.661	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-17.5	176.7	0	0	0	0	0	114.2	E491 E493	E491-A495 VanDerWaalsContact O-CB 3.28Å; E491-A495 WeakPolarHBondContact O-CB 3.4Å; E491-A495 PolarHBondContact O-N 2.69Å; E493-A495 VanDerWaalsContact C-N 3.29Å; E493-A495 PolarHBondContact O-N 2.7Å
496	R	60.9	Low	61.4	Low	177 Å²	177	87.7 Å²	87.7	67%	0.668	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-11.9	175.7	-73.8	173.8	175	161.1	-6.8	113.4	K492 E493 L494	K492-R496 WeakPolarHBondContact O-CG 3.45Å; K492-R496 PolarHBondContact O-N 3.08Å; E493-R496 CarbonylContact O-C 3.58Å; E493-R496 WeakPolarHBondContact O-CA 3.47Å; E493-R496 WeakPolarHBondContact O-CB 3.37Å; E493-R496 PolarHBondContact O-N 3.03Å; E493-R496 IonicContact OE1-NH1 3.92Å; E493-R496 PolarHBondContact OE1-NH1 2.81Å; E493-R496 IonicContact OE2-NH1 3.98Å; L494-R496 PolarHBondContact O-N 2.84Å
497	I	63.9	Low	62.5	Low	36 Å²	36	82.9 Å²	82.9	19%	0.185	41%	0.409	C	S	.	.	S	Bend	trans	-72.7	133.6	-179.7	-62.6	166.3	0	0	0	108.8	E493 L494 H499 L502 I719	E493-I497 WeakPolarHBondContact O-CG1 3.36Å; E493-I497 PolarHBondContact O-N 3.08Å; E493-I497 VanDerWaalsContact O-N 3.12Å; L494-I497 HydrophobicContact CD2-CD1 4.2Å; L494-I497 PolarHBondContact O-N 2.97Å; L494-I497 VanDerWaalsContact O-N 3.12Å; I497-H499 VanDerWaalsContact C-N 3.31Å; I497-H499 PolarHBondContact O-CE1 3.49Å; I497-H499 PolarHBondContact O-N 3.19Å; I497-H499 PolarHBondContact O-ND1 3.46Å; I497-L502 HydrophobicContact CB-CD2 4.38Å; I497-L502 HydrophobicContact CD1-CD2 4.2Å; I497-L502 HydrophobicContact CG2-CB 3.78Å; I497-L502 HydrophobicContact CG2-CD1 4.19Å; I497-L502 HydrophobicContact CG2-CD2 3.37Å; I497-L502 HydrophobicContact CG2-CG 3.97Å; I497-I719 HydrophobicContact CD1-CG2 4.12Å
498	N	75.4	Confident	63.3	Low	92 Å²	92	87.7 Å²	87.7	49%	0.492	43%	0.426	S	S	.	.			trans	-70.5	92.7	165.8	-174.8	-12.5	0	0	0	108.7	C500 E501 L502	N498-C500 PolarHBondContact O-N 2.6Å; N498-C500 VanDerWaalsContact OD1-CB 3.32Å; N498-C500 WeakPolarHBondContact OD1-CB 3.27Å; N498-C500 PolarHBondContact OD1-N 3.42Å; N498-C500 VanDerWaalsContact OD1-N 3.1Å; N498-E501 HydrophobicContact CB-CB 4.34Å; N498-E501 HydrophobicContact CB-CG 4.41Å; N498-E501 WeakPolarHBondContact ND2-CG 3.48Å; N498-E501 PolarHBondContact O-N 2.87Å; N498-E501 VanDerWaalsContact O-N 3.16Å; N498-E501 PolarHBondContact OD1-N 3.35Å; N498-L502 WeakPolarHBondContact O-CB 3.21Å; N498-L502 PolarHBondContact O-N 3.18Å
499	H	73.7	Confident	64.5	Low	66 Å²	66	85.1 Å²	85.1	31%	0.306	43%	0.429	S	S	.	.	H	α-helix	trans	-58.6	-30.4	179.5	-59.9	92.6	0	0	0	112.5	L494 I497 E501 W503	L494-H499 PolarHBondContact O-CE1 3.02Å; L494-H499 PolarHBondContact O-NE2 2.88Å; I497-H499 VanDerWaalsContact C-N 3.31Å; I497-H499 PolarHBondContact O-CE1 3.49Å; I497-H499 PolarHBondContact O-N 3.19Å; I497-H499 PolarHBondContact O-ND1 3.46Å; H499-E501 PolarHBondContact O-N 2.84Å; H499-W503 HydrophobicContact CB-CD2 4.19Å; H499-W503 HydrophobicContact CB-CE3 4.16Å; H499-W503 HydrophobicContact CB-CH2 4.47Å; H499-W503 HydrophobicContact CB-CZ2 4.5Å; H499-W503 HydrophobicContact CB-CZ3 4.31Å; H499-W503 AromaticContact CD2-CE2 3.69Å; H499-W503 AromaticContact CD2-CH2 3.59Å; H499-W503 AromaticContact CD2-CZ2 3.25Å; H499-W503 WeakPolarHBondContact CD2-CZ2 3.4Å; H499-W503 VanDerWaalsContact O-CB 3.26Å; H499-W503 WeakPolarHBondContact O-CB 3.37Å; H499-W503 PolarHBondContact O-N 2.92Å
500	C	76.1	Confident	66.1	Low	80 Å²	80	76.6 Å²	76.6	54%	0.541	40%	0.403	S	S	.	.	H	α-helix	trans	-64.7	-39.3	177.5	-62.6	0	0	0	0	111.9	N498 K504 H511	N498-C500 PolarHBondContact O-N 2.6Å; N498-C500 VanDerWaalsContact OD1-CB 3.32Å; N498-C500 WeakPolarHBondContact OD1-CB 3.27Å; N498-C500 PolarHBondContact OD1-N 3.42Å; N498-C500 VanDerWaalsContact OD1-N 3.1Å; C500-K504 WeakPolarHBondContact O-CB 3.5Å; C500-K504 PolarHBondContact O-N 2.73Å; C500-H511 PolarHBondContact O-CE1 3.39Å; C500-H511 PolarHBondContact O-ND1 3.06Å
501	E	73.7	Confident	67.9	Low	115 Å²	115	78.4 Å²	78.4	54%	0.537	40%	0.404	S	S	.	.	H	α-helix	trans	-76.7	-46.5	174.6	-69.8	-61	158	0	0	111.4	N498 H499 W503 K504	N498-E501 HydrophobicContact CB-CB 4.34Å; N498-E501 HydrophobicContact CB-CG 4.41Å; N498-E501 WeakPolarHBondContact ND2-CG 3.48Å; N498-E501 PolarHBondContact O-N 2.87Å; N498-E501 VanDerWaalsContact O-N 3.16Å; N498-E501 PolarHBondContact OD1-N 3.35Å; H499-E501 PolarHBondContact O-N 2.84Å; E501-W503 PolarHBondContact O-N 3.24Å; E501-K504 VanDerWaalsContact O-CB 3.24Å; E501-K504 WeakPolarHBondContact O-CB 3.38Å; E501-K504 PolarHBondContact O-N 2.77Å; E501-K504 IonicContact OE2-NZ 3.68Å
502	L	73	Confident	70.2	Confident	58 Å²	58	75.5 Å²	75.5	30%	0.304	39%	0.388	S	S	.	.	H	α-helix	trans	-62.7	-40.7	-175.2	-168.8	69.4	0	0	0	113.4	I497 N498 F720	I497-L502 HydrophobicContact CB-CD2 4.38Å; I497-L502 HydrophobicContact CD1-CD2 4.2Å; I497-L502 HydrophobicContact CG2-CB 3.78Å; I497-L502 HydrophobicContact CG2-CD1 4.19Å; I497-L502 HydrophobicContact CG2-CD2 3.37Å; I497-L502 HydrophobicContact CG2-CG 3.97Å; N498-L502 WeakPolarHBondContact O-CB 3.21Å; N498-L502 PolarHBondContact O-N 3.18Å; L502-F720 HydrophobicContact CD1-CE2 3.46Å; L502-F720 VanDerWaalsContact CD1-CE2 3.46Å; L502-F720 HydrophobicContact CD1-CZ 3.57Å; L502-F720 HydrophobicContact CD2-CE1 4Å; L502-F720 HydrophobicContact CD2-CE2 4.07Å; L502-F720 HydrophobicContact CD2-CZ 3.24Å; L502-F720 HydrophobicContact CG-CE2 4.02Å; L502-F720 HydrophobicContact CG-CZ 3.58Å
503	W	82.8	Confident	72.1	Confident	76 Å²	76	73.5 Å²	73.5	29%	0.288	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	4.4	-175.6	-58.8	-12.3	0	0	0	112.3	H499 E501 Y505 H511 R512 P514	H499-W503 HydrophobicContact CB-CD2 4.19Å; H499-W503 HydrophobicContact CB-CE3 4.16Å; H499-W503 HydrophobicContact CB-CH2 4.47Å; H499-W503 HydrophobicContact CB-CZ2 4.5Å; H499-W503 HydrophobicContact CB-CZ3 4.31Å; H499-W503 AromaticContact CD2-CE2 3.69Å; H499-W503 AromaticContact CD2-CH2 3.59Å; H499-W503 AromaticContact CD2-CZ2 3.25Å; H499-W503 WeakPolarHBondContact CD2-CZ2 3.4Å; H499-W503 VanDerWaalsContact O-CB 3.26Å; H499-W503 WeakPolarHBondContact O-CB 3.37Å; H499-W503 PolarHBondContact O-N 2.92Å; E501-W503 PolarHBondContact O-N 3.24Å; W503-Y505 PolarHBondContact O-N 3.29Å; W503-H511 CarbonylContact O-C 3.53Å; W503-H511 WeakPolarHBondContact O-CA 3.44Å; W503-R512 HydrophobicContact CB-CG 4.49Å; W503-R512 WeakPolarHBondContact CB-O 3.43Å; W503-R512 PolarHBondContact O-N 3.23Å; W503-P514 HydrophobicContact CD2-CG 4.2Å; W503-P514 HydrophobicContact CH2-CG 3.78Å; W503-P514 HydrophobicContact CZ2-CB 4.1Å; W503-P514 HydrophobicContact CZ2-CG 3.36Å; W503-P514 HydrophobicContact CZ3-CG 4.33Å
504	K	82.5	Confident	73.7	Confident	67 Å²	67	72.7 Å²	72.7	29%	0.291	39%	0.385	S	S	.	.	B	Isolated β-bridge	trans	-57.4	126.1	175.4	-155.4	170.2	176.9	-170.8	0	109.6	C500 E501 N507 R512	C500-K504 WeakPolarHBondContact O-CB 3.5Å; C500-K504 PolarHBondContact O-N 2.73Å; E501-K504 VanDerWaalsContact O-CB 3.24Å; E501-K504 WeakPolarHBondContact O-CB 3.38Å; E501-K504 PolarHBondContact O-N 2.77Å; E501-K504 IonicContact OE2-NZ 3.68Å; K504-N507 WeakPolarHBondContact CE-OD1 3.12Å; K504-N507 PolarHBondContact NZ-OD1 3.03Å; K504-R512 PolarHBondContact O-NH2 3.16Å
505	Y	82.4	Confident	75.1	Confident	10 Å²	10	70.3 Å²	70.3	4%	0.039	37%	0.374	C	S	.	.			trans	-92.6	-40.6	170.4	178	-97.1	0	0	0	110.6	W503 A510 A534 I561 G565 L566 H665 T667	W503-Y505 PolarHBondContact O-N 3.29Å; Y505-A510 WeakPolarHBondContact CB-O 3.43Å; Y505-A510 HydrophobicContact CD1-CB 4.03Å; Y505-A510 HydrophobicContact CG-CB 4.47Å; Y505-A510 PolarHBondContact N-O 2.83Å; Y505-A534 HydrophobicContact CD1-CB 4.25Å; Y505-A534 HydrophobicContact CE1-CB 3.84Å; Y505-I561 HydrophobicContact CD1-CD1 3.71Å; Y505-I561 HydrophobicContact CD2-CD1 3.62Å; Y505-I561 HydrophobicContact CD2-CG2 3.94Å; Y505-I561 HydrophobicContact CE1-CD1 4.27Å; Y505-I561 HydrophobicContact CE2-CD1 4.19Å; Y505-I561 HydrophobicContact CE2-CG2 4.03Å; Y505-I561 HydrophobicContact CG-CD1 3.36Å; Y505-G565 VanDerWaalsContact OH-CA 3.3Å; Y505-G565 WeakPolarHBondContact OH-CA 3.49Å; Y505-L566 HydrophobicContact CE1-CD1 4.15Å; Y505-L566 HydrophobicContact CE1-CG 4.01Å; Y505-L566 PolarHBondContact OH-N 2.87Å; Y505-H665 HydrophobicContact CE2-CB 4.45Å; Y505-H665 PolarHBondContact OH-O 3.15Å; Y505-T667 HydrophobicContact CE2-CG2 3.94Å
506	S	77.9	Confident	76.2	Confident	13 Å²	13	69.1 Å²	69.1	9%	0.091	36%	0.359	C	S	.	.			trans	-153.9	162.2	177.2	70.8	0	0	0	0	111.4	Q508 G509 A510	S506-Q508 PolarHBondContact O-N 2.59Å; S506-Q508 PolarHBondContact OG-N 3.2Å; S506-G509 PolarHBondContact O-N 3.09Å; S506-A510 PolarHBondContact N-O 2.84Å
507	N	70.1	Confident	76.5	Confident	76 Å²	76	64.6 Å²	64.6	41%	0.406	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-12.7	173	-71.3	-7.7	0	0	0	113.3	K504 G509 E599	K504-N507 WeakPolarHBondContact CE-OD1 3.12Å; K504-N507 PolarHBondContact NZ-OD1 3.03Å; N507-G509 PolarHBondContact O-N 2.83Å; N507-E599 HydrophobicContact CB-CG 3.83Å; N507-E599 WeakPolarHBondContact CB-OE1 3.4Å; N507-E599 VanDerWaalsContact CG-OE1 3.31Å; N507-E599 VanDerWaalsContact ND2-CD 3.35Å; N507-E599 WeakPolarHBondContact ND2-CG 3.12Å; N507-E599 PolarHBondContact ND2-OE1 3.29Å
508	Q	67.1	Low	77	Confident	148 Å²	148	70.3 Å²	70.3	69%	0.692	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	5.3	176.9	-62.1	-175.6	-12.3	0	0	113.5	S506	S506-Q508 PolarHBondContact O-N 2.59Å; S506-Q508 PolarHBondContact OG-N 3.2Å
509	G	65.9	Low	77.2	Confident	54 Å²	54	69.4 Å²	69.4	56%	0.557	38%	0.377	S	S	*	.	S	Bend	trans	97.2	10.1	170.3	0	0	0	0	0	115.5	S506 N507	S506-G509 PolarHBondContact O-N 3.09Å; N507-G509 PolarHBondContact O-N 2.83Å
510	A	77	Confident	77.7	Confident	27 Å²	27	67.4 Å²	67.4	22%	0.223	37%	0.37	C	S	.	.			trans	-82.8	133.8	172.9	0	0	0	0	0	110.7	Y505 S506 I561	Y505-A510 WeakPolarHBondContact CB-O 3.43Å; Y505-A510 HydrophobicContact CD1-CB 4.03Å; Y505-A510 HydrophobicContact CG-CB 4.47Å; Y505-A510 PolarHBondContact N-O 2.83Å; S506-A510 PolarHBondContact N-O 2.84Å; A510-I561 HydrophobicContact CB-CD1 4.32Å
511	H	84.9	Confident	78.2	Confident	78 Å²	78	66 Å²	66	36%	0.361	36%	0.36	S	S	.	.	B	Isolated β-bridge	trans	-119.8	140.8	171.2	-63	-84.4	0	0	0	109.5	C500 W503 P532	C500-H511 PolarHBondContact O-CE1 3.39Å; C500-H511 PolarHBondContact O-ND1 3.06Å; W503-H511 CarbonylContact O-C 3.53Å; W503-H511 WeakPolarHBondContact O-CA 3.44Å; H511-P532 WeakPolarHBondContact O-CG 3.47Å
512	R	87.3	Confident	78.9	Confident	51 Å²	51	63.1 Å²	63.1	19%	0.192	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-87.2	148.7	173.6	73.5	-170.4	77	-152.7	1.8	110.6	W503 K504 I561 P664	W503-R512 HydrophobicContact CB-CG 4.49Å; W503-R512 WeakPolarHBondContact CB-O 3.43Å; W503-R512 PolarHBondContact O-N 3.23Å; K504-R512 PolarHBondContact O-NH2 3.16Å; R512-I561 HydrophobicContact CB-CB 3.99Å; R512-I561 HydrophobicContact CB-CG2 4.26Å; R512-P664 VanDerWaalsContact CZ-O 3.29Å; R512-P664 PolarHBondContact NH1-O 3.3Å; R512-P664 PolarHBondContact NH2-O 3.15Å
513	L	86.7	Confident	79.3	Confident	78 Å²	78	68 Å²	68	41%	0.408	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-75.9	129.5	166.1	-65.3	176.4	0	0	0	108.8	V515 G560	L513-V515 PolarHBondContact O-N 3Å; L513-V515 VanDerWaalsContact O-N 3.09Å; L513-G560 PolarHBondContact N-O 2.89Å; L513-G560 VanDerWaalsContact O-CA 3.29Å; L513-G560 WeakPolarHBondContact O-CA 3.3Å
514	P	81.8	Confident	79.1	Confident	64 Å²	64	66.3 Å²	66.3	42%	0.416	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-64.9	116.1	175.5	31	-39.9	0	0	0	110.1	W503	W503-P514 HydrophobicContact CD2-CG 4.2Å; W503-P514 HydrophobicContact CH2-CG 3.78Å; W503-P514 HydrophobicContact CZ2-CB 4.1Å; W503-P514 HydrophobicContact CZ2-CG 3.36Å; W503-P514 HydrophobicContact CZ3-CG 4.33Å
515	V	79.7	Confident	78.9	Confident	31 Å²	31	71.2 Å²	71.2	19%	0.188	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-99.2	117.9	172.2	-177.9	0	0	0	0	108.4	L513 A517 M519 F526 Y529 R558	L513-V515 PolarHBondContact O-N 3Å; L513-V515 VanDerWaalsContact O-N 3.09Å; V515-A517 PolarHBondContact O-N 3.42Å; V515-M519 HydrophobicContact CG1-CB 4.46Å; V515-F526 HydrophobicContact CG1-CZ 4.16Å; V515-Y529 HydrophobicContact CG2-CE2 3.87Å; V515-R558 HydrophobicContact CG1-CB 4.26Å; V515-R558 HydrophobicContact CG2-CB 4.41Å
516	P	76.5	Confident	78.5	Confident	54 Å²	54	73.5 Å²	73.5	35%	0.351	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-59.2	137	173.2	-22.1	32.7	0	0	0	110.5	F518 M519 S520	P516-F518 HydrophobicContact CB-CD1 3.69Å; P516-F518 HydrophobicContact CB-CE1 3.31Å; P516-F518 HydrophobicContact CB-CZ 3.91Å; P516-F518 HydrophobicContact CG-CE1 4.18Å; P516-F518 HydrophobicContact CG-CZ 4.4Å; P516-F518 PolarHBondContact O-N 2.63Å; P516-M519 HydrophobicContact CG-SD 4.2Å; P516-M519 CarbonylContact O-C 3.52Å; P516-M519 WeakPolarHBondContact O-CA 3.49Å; P516-M519 PolarHBondContact O-N 2.98Å; P516-S520 PolarHBondContact O-N 2.79Å; P516-S520 VanDerWaalsContact O-N 3.07Å
517	A	69.1	Low	78.4	Confident	82 Å²	82	84 Å²	84	68%	0.678	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-52.2	-37.6	-176.2	0	0	0	0	0	113.4	V515 M519 S520	V515-A517 PolarHBondContact O-N 3.42Å; A517-M519 VanDerWaalsContact C-N 3.27Å; A517-M519 PolarHBondContact O-N 3.5Å; A517-S520 WeakPolarHBondContact O-CB 3.29Å; A517-S520 PolarHBondContact O-N 3.35Å; A517-S520 PolarHBondContact O-OG 3.48Å
518	F	73.7	Confident	78.9	Confident	157 Å²	157	87.1 Å²	87.1	69%	0.689	45%	0.453	S	S	*	.	G	3₁₀ helix	trans	-72.1	-15.4	178.1	70.8	-89.6	0	0	0	114.7	P516	P516-F518 HydrophobicContact CB-CD1 3.69Å; P516-F518 HydrophobicContact CB-CE1 3.31Å; P516-F518 HydrophobicContact CB-CZ 3.91Å; P516-F518 HydrophobicContact CG-CE1 4.18Å; P516-F518 HydrophobicContact CG-CZ 4.4Å; P516-F518 PolarHBondContact O-N 2.63Å
519	M	79.8	Confident	79.8	Confident	73 Å²	73	82.6 Å²	82.6	36%	0.36	43%	0.43	S	S	.	.	G	3₁₀ helix	trans	-101.4	-9.2	172.9	-66.1	-177.2	157.3	0	0	112.7	V515 P516 A517 T524 F526	V515-M519 HydrophobicContact CG1-CB 4.46Å; P516-M519 HydrophobicContact CG-SD 4.2Å; P516-M519 CarbonylContact O-C 3.52Å; P516-M519 WeakPolarHBondContact O-CA 3.49Å; P516-M519 PolarHBondContact O-N 2.98Å; A517-M519 VanDerWaalsContact C-N 3.27Å; A517-M519 PolarHBondContact O-N 3.5Å; M519-T524 HydrophobicContact CB-CG2 4.28Å; M519-T524 HydrophobicContact CG-CG2 4.43Å; M519-F526 HydrophobicContact CB-CE2 4.18Å; M519-F526 HydrophobicContact CB-CZ 3.72Å; M519-F526 WeakPolarHBondContact O-CE2 3.46Å
520	S	83.9	Confident	80.7	Confident	23 Å²	23	87.7 Å²	87.7	16%	0.161	44%	0.439	C	S	.	.			trans	-59	-37.3	179.8	68.3	0	0	0	0	114.4	P516 A517 W522 E556 G557 R558	P516-S520 PolarHBondContact O-N 2.79Å; P516-S520 VanDerWaalsContact O-N 3.07Å; A517-S520 WeakPolarHBondContact O-CB 3.29Å; A517-S520 PolarHBondContact O-N 3.35Å; A517-S520 PolarHBondContact O-OG 3.48Å; S520-W522 PolarHBondContact O-N 3.11Å; S520-E556 PolarHBondContact OG-O 2.9Å; S520-G557 CarbonylContact O-C 3.37Å; S520-G557 WeakPolarHBondContact O-CA 3.04Å; S520-R558 PolarHBondContact O-N 3.3Å
521	P	87.2	Confident	81.3	Confident	50 Å²	50	87.3 Å²	87.3	33%	0.325	44%	0.435	S	S	.	.	S	Bend	trans	-56.1	139.4	-175.2	-25.7	35.2	0	0	0	112.4	E523 T524 R558	P521-E523 WeakPolarHBondContact CB-OE2 3.46Å; P521-E523 PolarHBondContact O-N 2.92Å; P521-E523 VanDerWaalsContact O-N 3.16Å; P521-T524 VanDerWaalsContact O-CB 3.24Å; P521-T524 WeakPolarHBondContact O-CB 3.4Å; P521-T524 PolarHBondContact O-N 2.95Å; P521-T524 PolarHBondContact O-OG1 2.92Å; P521-T524 VanDerWaalsContact O-OG1 3.08Å; P521-R558 PolarHBondContact O-NH1 3.1Å
522	W	87.9	Confident	81.5	Confident	55 Å²	55	86.1 Å²	86.1	21%	0.208	43%	0.434	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-29.2	-175.6	-74	106.8	0	0	0	113.2	S520 T524 K553 N554 R558 D668	S520-W522 PolarHBondContact O-N 3.11Å; W522-T524 PolarHBondContact O-N 2.75Å; W522-K553 HydrophobicContact CD2-CB 4.46Å; W522-K553 HydrophobicContact CD2-CD 3.98Å; W522-K553 HydrophobicContact CD2-CG 4.42Å; W522-K553 HydrophobicContact CE3-CD 4.25Å; W522-K553 HydrophobicContact CG-CD 4.3Å; W522-K553 HydrophobicContact CH2-CG 4.48Å; W522-K553 HydrophobicContact CZ2-CB 4.02Å; W522-K553 HydrophobicContact CZ2-CG 4.12Å; W522-N554 PolarHBondContact NE1-O 3.14Å; W522-R558 HydrophobicContact CD2-CG 4.28Å; W522-R558 HydrophobicContact CE3-CG 3.78Å; W522-R558 HydrophobicContact CH2-CG 3.82Å; W522-R558 HydrophobicContact CZ2-CG 4.31Å; W522-R558 HydrophobicContact CZ3-CG 3.54Å; W522-R558 PolarHBondContact O-NH1 2.76Å; W522-R558 PolarHBondContact O-NH2 3.15Å; W522-D668 HydrophobicContact CH2-CB 3.84Å; W522-D668 HydrophobicContact CZ2-CB 4.13Å
523	E	80.9	Confident	81.4	Confident	160 Å²	160	87.3 Å²	87.3	75%	0.748	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-20.8	177.4	-56.4	72.8	-156.4	0	0	112.2	P521 E525	P521-E523 WeakPolarHBondContact CB-OE2 3.46Å; P521-E523 PolarHBondContact O-N 2.92Å; P521-E523 VanDerWaalsContact O-N 3.16Å; E523-E525 PolarHBondContact O-N 2.89Å
524	T	78.7	Confident	81.3	Confident	41 Å²	41	84.1 Å²	84.1	25%	0.252	43%	0.431	S	S	.	.	S	Bend	trans	-65.9	123.6	175.1	-49.9	0	0	0	0	109.5	M519 P521 W522 F526 R558	M519-T524 HydrophobicContact CB-CG2 4.28Å; M519-T524 HydrophobicContact CG-CG2 4.43Å; P521-T524 VanDerWaalsContact O-CB 3.24Å; P521-T524 WeakPolarHBondContact O-CB 3.4Å; P521-T524 PolarHBondContact O-N 2.95Å; P521-T524 PolarHBondContact O-OG1 2.92Å; P521-T524 VanDerWaalsContact O-OG1 3.08Å; W522-T524 PolarHBondContact O-N 2.75Å; T524-F526 HydrophobicContact CG2-CE2 4.39Å; T524-F526 PolarHBondContact O-N 2.03Å; T524-R558 PolarHBondContact O-NH1 3.14Å; T524-R558 PolarHBondContact O-NH2 3.4Å
525	E	78	Confident	80.9	Confident	171 Å²	171	84 Å²	84	80%	0.799	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-74.9	121	175.6	-167	179.8	-174.4	0	0	110.5	E523	E523-E525 PolarHBondContact O-N 2.89Å
526	F	73.9	Confident	80.3	Confident	57 Å²	57	86 Å²	86	25%	0.25	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-102.2	131.2	167.5	-80.7	-103.9	0	0	0	108.9	V515 M519 T524 L528 Y529	V515-F526 HydrophobicContact CG1-CZ 4.16Å; M519-F526 HydrophobicContact CB-CE2 4.18Å; M519-F526 HydrophobicContact CB-CZ 3.72Å; M519-F526 WeakPolarHBondContact O-CE2 3.46Å; T524-F526 HydrophobicContact CG2-CE2 4.39Å; T524-F526 PolarHBondContact O-N 2.03Å; F526-L528 PolarHBondContact O-N 3.46Å; F526-Y529 HydrophobicContact CD1-CD2 4.11Å; F526-Y529 HydrophobicContact CD1-CG 4.42Å; F526-Y529 HydrophobicContact CE1-CD2 4.09Å; F526-Y529 HydrophobicContact CG-CD2 4.45Å; F526-Y529 HydrophobicContact CG-CG 4.36Å; F526-Y529 HydrophobicContact CZ-CD2 4.4Å
527	Y	77.1	Confident	79.3	Confident	234 Å²	234	95.3 Å²	95.3	92%	0.918	46%	0.464	S	S	*	.	S	Bend	trans	-60	-31.5	169	-62.4	-58.6	0	0	0	112.3
528	L	78.9	Confident	78.6	Confident	142 Å²	142	99 Å²	99	74%	0.743	47%	0.473	S	S	*	.			trans	-155.4	123.5	174.4	179.6	64.9	0	0	0	108.8	F526	F526-L528 PolarHBondContact O-N 3.46Å
529	Y	87.4	Confident	77.9	Confident	52 Å²	52	94.1 Å²	94.1	20%	0.204	45%	0.452	C	S	.	.			trans	-141.5	95.6	173	-178.6	-102	0	0	0	109.2	V515 F526 P531 R558 G560 D668	V515-Y529 HydrophobicContact CG2-CE2 3.87Å; F526-Y529 HydrophobicContact CD1-CD2 4.11Å; F526-Y529 HydrophobicContact CD1-CG 4.42Å; F526-Y529 HydrophobicContact CE1-CD2 4.09Å; F526-Y529 HydrophobicContact CG-CD2 4.45Å; F526-Y529 HydrophobicContact CG-CG 4.36Å; F526-Y529 HydrophobicContact CZ-CD2 4.4Å; Y529-P531 HydrophobicContact CD1-CG 4.26Å; Y529-P531 HydrophobicContact CE1-CB 4.28Å; Y529-P531 HydrophobicContact CE1-CG 3.59Å; Y529-P531 HydrophobicContact CE2-CB 4.35Å; Y529-P531 HydrophobicContact CE2-CG 4.49Å; Y529-R558 HydrophobicContact CD1-CG 4.23Å; Y529-R558 HydrophobicContact CE1-CB 4.11Å; Y529-R558 VanDerWaalsContact CE1-CD 3.45Å; Y529-R558 HydrophobicContact CE1-CG 3.61Å; Y529-R558 HydrophobicContact CE2-CB 4.14Å; Y529-R558 HydrophobicContact CE2-CG 4.36Å; Y529-R558 WeakPolarHBondContact OH-CB 3.37Å; Y529-G560 WeakPolarHBondContact OH-CA 3.27Å; Y529-G560 PolarHBondContact OH-N 3.43Å; Y529-D668 WeakPolarHBondContact CE1-OD2 3.28Å; Y529-D668 VanDerWaalsContact OH-CG 3.27Å; Y529-D668 PolarHBondContact OH-OD1 2.88Å; Y529-D668 VanDerWaalsContact OH-OD1 3.1Å; Y529-D668 PolarHBondContact OH-OD2 3.24Å
530	E	84.4	Confident	76.7	Confident	162 Å²	162	98.5 Å²	98.5	76%	0.757	47%	0.469	S	S	*	.			trans	-124.3	81.5	176.4	-171.6	174.3	-166.1	0	0	107.9
531	P	90	Very high	75.5	Confident	19 Å²	19	98.1 Å²	98.1	12%	0.123	47%	0.469	C	S	.	.			trans	-71.9	153	-177.2	32	-37.3	0	0	0	110.9	Y529 G560 A562	Y529-P531 HydrophobicContact CD1-CG 4.26Å; Y529-P531 HydrophobicContact CE1-CB 4.28Å; Y529-P531 HydrophobicContact CE1-CG 3.59Å; Y529-P531 HydrophobicContact CE2-CB 4.35Å; Y529-P531 HydrophobicContact CE2-CG 4.49Å; P531-G560 VanDerWaalsContact CB-C 3.42Å; P531-G560 WeakPolarHBondContact CB-O 3.39Å; P531-A562 HydrophobicContact CG-CB 3.84Å
532	P	88.4	Confident	74	Confident	53 Å²	53	95.9 Å²	95.9	34%	0.344	45%	0.454	S	S	.	.			trans	-53.4	144.3	170	-27.9	37.6	0	0	0	111.6	H511 G560 I561 A562	H511-P532 WeakPolarHBondContact O-CG 3.47Å; P532-G560 WeakPolarHBondContact CD-O 3.26Å; P532-I561 HydrophobicContact CB-CG1 4.44Å; P532-I561 CarbonylContact O-C 3.56Å; P532-I561 WeakPolarHBondContact O-CA 3.17Å; P532-I561 WeakPolarHBondContact O-CG1 3.3Å; P532-A562 PolarHBondContact O-N 3.12Å
533	V	86.1	Confident	72.5	Confident	75 Å²	75	101 Å²	101	46%	0.455	48%	0.48	S	S	.	.	B	Isolated β-bridge	trans	-103.1	111.7	-177.9	178.9	0	0	0	0	109.5	L535 L548 A562	V533-L535 HydrophobicContact CG1-CB 4.45Å; V533-L535 HydrophobicContact CG1-CD1 3.67Å; V533-L535 HydrophobicContact CG1-CG 3.67Å; V533-L535 PolarHBondContact O-N 3.18Å; V533-L548 HydrophobicContact CB-CD1 4.33Å; V533-L548 HydrophobicContact CG1-CD1 3.85Å; V533-L548 HydrophobicContact CG2-CD1 3.47Å; V533-L548 VanDerWaalsContact CG2-CD1 3.47Å; V533-A562 CarbonylContact C-O 3.57Å; V533-A562 WeakPolarHBondContact CA-O 3.06Å; V533-A562 HydrophobicContact CG2-CB 4.36Å
534	A	84.2	Confident	71.3	Confident	11 Å²	11	96.2 Å²	96.2	9%	0.091	47%	0.474	C	S	.	.			trans	-87.2	88.4	172.3	0	0	0	0	0	110.1	Y505 I561 A562 G565	Y505-A534 HydrophobicContact CD1-CB 4.25Å; Y505-A534 HydrophobicContact CE1-CB 3.84Å; A534-I561 HydrophobicContact CB-CD1 3.75Å; A534-I561 HydrophobicContact CB-CG1 4.07Å; A534-A562 PolarHBondContact N-O 3.35Å; A534-G565 VanDerWaalsContact O-CA 3.22Å; A534-G565 WeakPolarHBondContact O-CA 3.32Å; A534-G565 PolarHBondContact O-N 2.87Å
535	L	72.7	Confident	70.1	Confident	63 Å²	63	96.8 Å²	96.8	33%	0.33	49%	0.488	S	S	.	.			trans	-118.2	141.3	166.5	-68.3	172	0	0	0	108.7	V533 E539 W570	V533-L535 HydrophobicContact CG1-CB 4.45Å; V533-L535 HydrophobicContact CG1-CD1 3.67Å; V533-L535 HydrophobicContact CG1-CG 3.67Å; V533-L535 PolarHBondContact O-N 3.18Å; L535-E539 HydrophobicContact CD2-CB 4.45Å; L535-W570 HydrophobicContact CD2-CH2 3.69Å; L535-W570 HydrophobicContact CD2-CZ2 3.53Å
536	L	67	Low	69	Low	72 Å²	72	96 Å²	96	38%	0.377	48%	0.482	S	S	.	.			trans	-65.4	149.4	168.5	-64.2	179.4	0	0	0	109	D538 E539	L536-D538 PolarHBondContact O-N 3.46Å; L536-E539 HydrophobicContact CB-CG 4.15Å; L536-E539 WeakPolarHBondContact CD1-OE1 3.26Å; L536-E539 PolarHBondContact O-N 3.39Å
537	R	55.1	Low	68.5	Low	250 Å²	250	95 Å²	95	94%	0.943	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-23.3	-169.9	-75.8	-175.5	177.1	-175.5	-0.6	114.9
538	D	56.1	Low	68.2	Low	160 Å²	160	86.8 Å²	86.8	86%	0.856	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.7	9.4	-176.7	-55	-48.3	0	0	0	113.9	L536 K540	L536-D538 PolarHBondContact O-N 3.46Å; D538-K540 PolarHBondContact O-N 2.73Å
539	E	58.4	Low	67.8	Low	53 Å²	53	85.7 Å²	85.7	25%	0.248	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-79.9	122.7	-178.6	-91	175.2	-152.6	0	0	113.3	L535 L536 R564	L535-E539 HydrophobicContact CD2-CB 4.45Å; L536-E539 HydrophobicContact CB-CG 4.15Å; L536-E539 WeakPolarHBondContact CD1-OE1 3.26Å; L536-E539 PolarHBondContact O-N 3.39Å; E539-R564 IonicContact OE1-CZ 2.77Å; E539-R564 IonicContact OE1-NE 3.37Å; E539-R564 PolarHBondContact OE1-NE 3.35Å; E539-R564 IonicContact OE1-NH1 3.35Å; E539-R564 IonicContact OE1-NH2 3.02Å; E539-R564 PolarHBondContact OE1-NH2 3.05Å; E539-R564 IonicContact OE2-CZ 2.71Å; E539-R564 IonicContact OE2-NE 2.69Å; E539-R564 PolarHBondContact OE2-NE 2.78Å; E539-R564 IonicContact OE2-NH2 2.72Å
540	K	55.2	Low	67.3	Low	165 Å²	165	85.5 Å²	85.5	72%	0.717	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-68.2	133.4	163.4	-62.8	-178.8	-177.6	177.6	0	108	D538	D538-K540 PolarHBondContact O-N 2.73Å
541	G	57.4	Low	67.4	Low	16 Å²	16	78.2 Å²	78.2	17%	0.165	44%	0.44	C	S	.	.	P	Polyproline II helix	trans	-52.3	171.7	170.2	0	0	0	0	0	112.1	H543 G544 G545	G541-H543 PolarHBondContact O-N 2.86Å; G541-G544 PolarHBondContact O-N 2.67Å; G541-G544 VanDerWaalsContact O-N 3.16Å; G541-G545 PolarHBondContact O-N 3.31Å
542	P	56.2	Low	67.5	Low	2 Å²	2	79.3 Å²	79.3	1%	0.013	45%	0.447	C	S	.	.	H	α-helix	trans	-50.8	135.6	-171.6	-7.8	13.1	0	0	0	111.2	G544 K546 A551 W570	P542-G544 VanDerWaalsContact C-N 3.34Å; P542-G544 PolarHBondContact O-N 2.92Å; P542-K546 PolarHBondContact O-N 3.45Å; P542-A551 HydrophobicContact CB-CB 4.48Å; P542-A551 HydrophobicContact CG-CB 3.46Å; P542-A551 VanDerWaalsContact CG-CB 3.46Å; P542-W570 HydrophobicContact CB-CD2 4.32Å; P542-W570 HydrophobicContact CG-CD2 4.12Å; P542-W570 HydrophobicContact CG-CE3 4Å; P542-W570 HydrophobicContact CG-CH2 3.84Å; P542-W570 HydrophobicContact CG-CZ2 4Å; P542-W570 HydrophobicContact CG-CZ3 3.85Å
543	H	55.9	Low	67.7	Low	163 Å²	163	83 Å²	83	76%	0.755	46%	0.458	S	S	*	.	H	α-helix	trans	55.3	41.6	179	-55	-68.4	0	0	0	114.9	G541	G541-H543 PolarHBondContact O-N 2.86Å
544	G	55.6	Low	68.2	Low	60 Å²	60	79.5 Å²	79.5	62%	0.619	44%	0.436	S	S	*	.	H	α-helix	trans	81.2	23.5	170.6	0	0	0	0	0	115	G541 P542	G541-G544 PolarHBondContact O-N 2.67Å; G541-G544 VanDerWaalsContact O-N 3.16Å; P542-G544 VanDerWaalsContact C-N 3.34Å; P542-G544 PolarHBondContact O-N 2.92Å
545	G	53.6	Low	68.5	Low	52 Å²	52	81.8 Å²	81.8	54%	0.536	45%	0.45	S	S	.	.	H	α-helix	trans	117.3	15.3	168.9	0	0	0	0	0	117.1	G541 G547	G541-G545 PolarHBondContact O-N 3.31Å; G545-G547 PolarHBondContact O-N 2.8Å
546	K	54.6	Low	69.3	Low	155 Å²	155	83 Å²	83	67%	0.674	45%	0.454	S	S	*	.			trans	-71.5	14	179.6	-72.2	-173.3	177.8	-179.1	0	115.5	P542 A550	P542-K546 PolarHBondContact O-N 3.45Å; K546-A550 HydrophobicContact CB-CB 4.12Å
547	G	63.6	Low	70.5	Confident	35 Å²	35	79.7 Å²	79.7	36%	0.361	44%	0.437	S	S	.	.			trans	72.3	170.4	-177.9	0	0	0	0	0	114.3	G545 S549	G545-G547 PolarHBondContact O-N 2.8Å; G547-S549 VanDerWaalsContact C-N 3.29Å; G547-S549 PolarHBondContact O-N 2.92Å
548	L	70.9	Confident	72.3	Confident	63 Å²	63	69.4 Å²	69.4	33%	0.33	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-70	-20.7	-177.7	-78.9	156.7	0	0	0	114	V533 A550 A551 A562 W570 N669	V533-L548 HydrophobicContact CB-CD1 4.33Å; V533-L548 HydrophobicContact CG1-CD1 3.85Å; V533-L548 HydrophobicContact CG2-CD1 3.47Å; V533-L548 VanDerWaalsContact CG2-CD1 3.47Å; L548-A550 PolarHBondContact O-N 3.19Å; L548-A551 WeakPolarHBondContact O-CB 3.07Å; L548-A551 PolarHBondContact O-N 2.98Å; L548-A562 HydrophobicContact CD2-CB 4.26Å; L548-W570 HydrophobicContact CD2-CH2 4.03Å; L548-W570 HydrophobicContact CD2-CZ3 4.16Å; L548-N669 WeakPolarHBondContact CD2-OD1 3.48Å
549	S	70.8	Confident	74	Confident	119 Å²	119	63.1 Å²	63.1	83%	0.832	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-64.6	-26	178.5	53.5	0	0	0	0	113.2	G547	G547-S549 VanDerWaalsContact C-N 3.29Å; G547-S549 PolarHBondContact O-N 2.92Å
550	A	77.5	Confident	75.6	Confident	47 Å²	47	60.6 Å²	60.6	39%	0.388	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-91.8	0.3	175.5	0	0	0	0	0	113.2	K546 L548	K546-A550 HydrophobicContact CB-CB 4.12Å; L548-A550 PolarHBondContact O-N 3.19Å
551	A	86.2	Confident	77.3	Confident	10 Å²	10	52.8 Å²	52.8	8%	0.083	32%	0.32	C	S	.	.	S	Bend	trans	-72.2	151.9	179.8	0	0	0	0	0	111	P542 L548 W570 N669	P542-A551 HydrophobicContact CB-CB 4.48Å; P542-A551 HydrophobicContact CG-CB 3.46Å; P542-A551 VanDerWaalsContact CG-CB 3.46Å; L548-A551 WeakPolarHBondContact O-CB 3.07Å; L548-A551 PolarHBondContact O-N 2.98Å; A551-W570 HydrophobicContact CB-CE3 3.97Å; A551-W570 HydrophobicContact CB-CZ3 3.7Å; A551-N669 HydrophobicContact CB-CB 3.89Å; A551-N669 WeakPolarHBondContact CB-ND2 3.41Å
552	P	92.2	Very high	79	Confident	42 Å²	42	52.4 Å²	52.4	27%	0.273	32%	0.315	S	S	.	.			trans	-52.4	149.6	169	-25.8	36.2	0	0	0	110.9	W570 N669 W671	P552-W570 HydrophobicContact CG-CB 4.28Å; P552-N669 WeakPolarHBondContact O-CA 3.4Å; P552-N669 WeakPolarHBondContact O-CB 3.44Å; P552-N669 PolarHBondContact O-ND2 2.79Å; P552-W671 HydrophobicContact CB-CH2 3.95Å; P552-W671 HydrophobicContact CB-CZ3 3.76Å
553	K	93.3	Very high	80.5	Confident	131 Å²	131	52.3 Å²	52.3	57%	0.57	31%	0.314	S	S	*	.			trans	-105.8	129.7	173.7	-73.2	-176	179	-179.1	0	109.1	W522 D668 W671	W522-K553 HydrophobicContact CD2-CB 4.46Å; W522-K553 HydrophobicContact CD2-CD 3.98Å; W522-K553 HydrophobicContact CD2-CG 4.42Å; W522-K553 HydrophobicContact CE3-CD 4.25Å; W522-K553 HydrophobicContact CG-CD 4.3Å; W522-K553 HydrophobicContact CH2-CG 4.48Å; W522-K553 HydrophobicContact CZ2-CB 4.02Å; W522-K553 HydrophobicContact CZ2-CG 4.12Å; K553-D668 CarbonylContact C-O 3.5Å; K553-D668 WeakPolarHBondContact CA-O 3.5Å; K553-W671 WeakPolarHBondContact O-CH2 2.96Å; K553-W671 VanDerWaalsContact O-CZ3 3.29Å; K553-W671 WeakPolarHBondContact O-CZ3 3.42Å
554	N	95	Very high	82.1	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.005	29%	0.285	C	S	.	.			trans	-57.6	125.1	175.6	179.9	-17.8	0	0	0	110.2	W522 E556 G557 T559 Y660 T666 T667 D668 W671	W522-N554 PolarHBondContact NE1-O 3.14Å; N554-E556 PolarHBondContact O-N 3.42Å; N554-E556 PolarHBondContact OD1-N 2.76Å; N554-G557 WeakPolarHBondContact CB-O 3.23Å; N554-G557 PolarHBondContact O-N 3.36Å; N554-T559 WeakPolarHBondContact ND2-CG2 3.41Å; N554-Y660 PolarHBondContact ND2-OH 2.9Å; N554-Y660 VanDerWaalsContact OD1-CE2 3.23Å; N554-Y660 WeakPolarHBondContact OD1-CE2 3.46Å; N554-T666 WeakPolarHBondContact ND2-CG2 3.4Å; N554-T667 WeakPolarHBondContact CB-O 3.39Å; N554-T667 PolarHBondContact ND2-O 2.84Å; N554-T667 VanDerWaalsContact ND2-O 3.1Å; N554-D668 PolarHBondContact N-O 2.83Å; N554-W671 HydrophobicContact CB-CE3 4.05Å
555	P	92.3	Very high	83.7	Confident	58 Å²	58	43.5 Å²	43.5	38%	0.377	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-27.9	-177.8	24.9	-35.1	0	0	0	113.6	G557 Y660 W671	P555-G557 VanDerWaalsContact C-N 3.26Å; P555-G557 PolarHBondContact O-N 2.84Å; P555-Y660 HydrophobicContact CG-CD2 4.26Å; P555-Y660 HydrophobicContact CG-CE2 4.48Å; P555-W671 VanDerWaalsContact CD-CD2 3.44Å; P555-W671 HydrophobicContact CG-CD2 4.36Å; P555-W671 HydrophobicContact CG-CG 4.46Å; P555-W671 HydrophobicContact CG-CZ2 4.35Å
556	E	89.2	Confident	85.3	Confident	90 Å²	90	43.2 Å²	43.2	42%	0.421	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	5.5	177	-64.2	-59.1	131.8	0	0	113.3	S520 N554 Y660	S520-E556 PolarHBondContact OG-O 2.9Å; N554-E556 PolarHBondContact O-N 3.42Å; N554-E556 PolarHBondContact OD1-N 2.76Å; E556-Y660 HydrophobicContact CB-CD2 4.44Å; E556-Y660 HydrophobicContact CB-CE1 4.11Å; E556-Y660 HydrophobicContact CB-CE2 3.94Å; E556-Y660 HydrophobicContact CG-CD1 3.58Å; E556-Y660 HydrophobicContact CG-CD2 3.51Å; E556-Y660 HydrophobicContact CG-CE1 3.58Å; E556-Y660 HydrophobicContact CG-CE2 3.5Å; E556-Y660 VanDerWaalsContact CG-CE2 3.5Å; E556-Y660 HydrophobicContact CG-CG 3.53Å
557	G	92	Very high	87	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.01	21%	0.211	C	C	.	.			trans	97.1	-162	174.6	0	0	0	0	0	115.2	S520 N554 P555	S520-G557 CarbonylContact O-C 3.37Å; S520-G557 WeakPolarHBondContact O-CA 3.04Å; N554-G557 WeakPolarHBondContact CB-O 3.23Å; N554-G557 PolarHBondContact O-N 3.36Å; P555-G557 VanDerWaalsContact C-N 3.26Å; P555-G557 PolarHBondContact O-N 2.84Å
558	R	92.7	Very high	88.1	Confident	35 Å²	35	35.7 Å²	35.7	13%	0.132	20%	0.202	C	C	.	.			trans	-70.5	128.9	179.6	-69	176	-172.3	95.1	-0.9	110.9	V515 S520 P521 W522 T524 Y529	V515-R558 HydrophobicContact CG1-CB 4.26Å; V515-R558 HydrophobicContact CG2-CB 4.41Å; S520-R558 PolarHBondContact O-N 3.3Å; P521-R558 PolarHBondContact O-NH1 3.1Å; W522-R558 HydrophobicContact CD2-CG 4.28Å; W522-R558 HydrophobicContact CE3-CG 3.78Å; W522-R558 HydrophobicContact CH2-CG 3.82Å; W522-R558 HydrophobicContact CZ2-CG 4.31Å; W522-R558 HydrophobicContact CZ3-CG 3.54Å; W522-R558 PolarHBondContact O-NH1 2.76Å; W522-R558 PolarHBondContact O-NH2 3.15Å; T524-R558 PolarHBondContact O-NH1 3.14Å; T524-R558 PolarHBondContact O-NH2 3.4Å; Y529-R558 HydrophobicContact CD1-CG 4.23Å; Y529-R558 HydrophobicContact CE1-CB 4.11Å; Y529-R558 VanDerWaalsContact CE1-CD 3.45Å; Y529-R558 HydrophobicContact CE1-CG 3.61Å; Y529-R558 HydrophobicContact CE2-CB 4.14Å; Y529-R558 HydrophobicContact CE2-CG 4.36Å; Y529-R558 WeakPolarHBondContact OH-CB 3.37Å
559	T	91.3	Very high	89	Confident	28 Å²	28	34.8 Å²	34.8	17%	0.172	20%	0.195	C	C	.	.			trans	-103.6	-11.6	-179.9	66.4	0	0	0	0	113	N554 I561 T666 T667 D668	N554-T559 WeakPolarHBondContact ND2-CG2 3.41Å; T559-I561 PolarHBondContact OG1-N 2.9Å; T559-I561 PolarHBondContact OG1-O 2.83Å; T559-I561 VanDerWaalsContact OG1-O 3.06Å; T559-T666 HydrophobicContact CG2-CG2 4.12Å; T559-T667 WeakPolarHBondContact CG2-O 3.3Å; T559-T667 VanDerWaalsContact OG1-CA 3.27Å; T559-T667 WeakPolarHBondContact OG1-CA 3.48Å; T559-D668 PolarHBondContact N-OD1 2.78Å; T559-D668 PolarHBondContact OG1-N 3.48Å; T559-D668 PolarHBondContact OG1-OD1 2.93Å
560	G	92	Very high	89.9	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.166	C	C	.	.	S	Bend	trans	83.7	9.8	-177	0	0	0	0	0	114.8	L513 Y529 P531 P532 D668	L513-G560 PolarHBondContact N-O 2.89Å; L513-G560 VanDerWaalsContact O-CA 3.29Å; L513-G560 WeakPolarHBondContact O-CA 3.3Å; Y529-G560 WeakPolarHBondContact OH-CA 3.27Å; Y529-G560 PolarHBondContact OH-N 3.43Å; P531-G560 VanDerWaalsContact CB-C 3.42Å; P531-G560 WeakPolarHBondContact CB-O 3.39Å; P532-G560 WeakPolarHBondContact CD-O 3.26Å; G560-D668 PolarHBondContact N-OD1 2.99Å
561	I	92.1	Very high	90.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.15	C	C	.	.			trans	-144.8	134.5	171.1	-162.9	171.7	0	0	0	109	Y505 A510 R512 P532 A534 T559 T667 D668	Y505-I561 HydrophobicContact CD1-CD1 3.71Å; Y505-I561 HydrophobicContact CD2-CD1 3.62Å; Y505-I561 HydrophobicContact CD2-CG2 3.94Å; Y505-I561 HydrophobicContact CE1-CD1 4.27Å; Y505-I561 HydrophobicContact CE2-CD1 4.19Å; Y505-I561 HydrophobicContact CE2-CG2 4.03Å; Y505-I561 HydrophobicContact CG-CD1 3.36Å; A510-I561 HydrophobicContact CB-CD1 4.32Å; R512-I561 HydrophobicContact CB-CB 3.99Å; R512-I561 HydrophobicContact CB-CG2 4.26Å; P532-I561 HydrophobicContact CB-CG1 4.44Å; P532-I561 CarbonylContact O-C 3.56Å; P532-I561 WeakPolarHBondContact O-CA 3.17Å; P532-I561 WeakPolarHBondContact O-CG1 3.3Å; A534-I561 HydrophobicContact CB-CD1 3.75Å; A534-I561 HydrophobicContact CB-CG1 4.07Å; T559-I561 PolarHBondContact OG1-N 2.9Å; T559-I561 PolarHBondContact OG1-O 2.83Å; T559-I561 VanDerWaalsContact OG1-O 3.06Å; I561-T667 HydrophobicContact CG2-CG2 3.93Å; I561-T667 CarbonylContact O-C 3.49Å; I561-T667 WeakPolarHBondContact O-CA 3.04Å; I561-T667 WeakPolarHBondContact O-CB 3.44Å; I561-D668 WeakPolarHBondContact O-CB 3.07Å; I561-D668 PolarHBondContact O-N 3.44Å
562	A	91	Very high	91.1	Very high	8 Å²	8	32.6 Å²	32.6	7%	0.066	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-107.6	169.4	-178.9	0	0	0	0	0	112	P531 P532 V533 A534 L548 D668	P531-A562 HydrophobicContact CG-CB 3.84Å; P532-A562 PolarHBondContact O-N 3.12Å; V533-A562 CarbonylContact C-O 3.57Å; V533-A562 WeakPolarHBondContact CA-O 3.06Å; V533-A562 HydrophobicContact CG2-CB 4.36Å; A534-A562 PolarHBondContact N-O 3.35Å; L548-A562 HydrophobicContact CD2-CB 4.26Å; A562-D668 HydrophobicContact CB-CB 4.35Å
563	G	89.5	Confident	91.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.149	C	C	.	.	S	Bend	trans	95.7	176.6	-177.6	0	0	0	0	0	113.8	G565 T667 N669	G563-G565 VanDerWaalsContact C-N 3.32Å; G563-T667 VanDerWaalsContact O-CB 3.31Å; G563-T667 WeakPolarHBondContact O-CB 3.42Å; G563-T667 PolarHBondContact O-OG1 2.94Å; G563-N669 PolarHBondContact N-OD1 3.23Å
564	R	89.6	Confident	91.2	Very high	34 Å²	34	28.8 Å²	28.8	13%	0.128	14%	0.14	C	C	.	.	S	Bend	trans	-68.8	-34.3	175.9	-171.7	-173.9	67.1	94.9	28.6	111.9	E539 L567 L568 W570 A670	E539-R564 IonicContact OE1-CZ 2.77Å; E539-R564 IonicContact OE1-NE 3.37Å; E539-R564 PolarHBondContact OE1-NE 3.35Å; E539-R564 IonicContact OE1-NH1 3.35Å; E539-R564 IonicContact OE1-NH2 3.02Å; E539-R564 PolarHBondContact OE1-NH2 3.05Å; E539-R564 IonicContact OE2-CZ 2.71Å; E539-R564 IonicContact OE2-NE 2.69Å; E539-R564 PolarHBondContact OE2-NE 2.78Å; E539-R564 IonicContact OE2-NH2 2.72Å; R564-L567 PolarHBondContact NH1-O 3.09Å; R564-L568 PolarHBondContact NH1-O 2.78Å; R564-W570 HydrophobicContact CB-CD2 3.89Å; R564-W570 HydrophobicContact CB-CE3 4.27Å; R564-W570 HydrophobicContact CB-CG 4.33Å; R564-W570 HydrophobicContact CB-CH2 4.43Å; R564-W570 HydrophobicContact CB-CZ2 4.02Å; R564-W570 HydrophobicContact CG-CD2 4.44Å; R564-W570 HydrophobicContact CG-CG 4.36Å; R564-A670 WeakPolarHBondContact O-CB 3.42Å
565	G	88.5	Confident	91.1	Very high	4 Å²	4	29 Å²	29	4%	0.041	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	-140.7	-176.4	0	0	0	0	0	113	Y505 A534 G563 L567	Y505-G565 VanDerWaalsContact OH-CA 3.3Å; Y505-G565 WeakPolarHBondContact OH-CA 3.49Å; A534-G565 VanDerWaalsContact O-CA 3.22Å; A534-G565 WeakPolarHBondContact O-CA 3.32Å; A534-G565 PolarHBondContact O-N 2.87Å; G563-G565 VanDerWaalsContact C-N 3.32Å; G565-L567 VanDerWaalsContact C-N 3.34Å
566	L	86.9	Confident	91.1	Very high	47 Å²	47	26.5 Å²	26.5	25%	0.246	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-0.2	-177.9	-65.7	173.4	0	0	0	113.7	Y505 E599 H665	Y505-L566 HydrophobicContact CE1-CD1 4.15Å; Y505-L566 HydrophobicContact CE1-CG 4.01Å; Y505-L566 PolarHBondContact OH-N 2.87Å; L566-E599 WeakPolarHBondContact CD1-O 3.45Å; L566-H665 HydrophobicContact CB-CB 4.12Å; L566-H665 WeakPolarHBondContact CD1-NE2 3.22Å
567	L	90	Very high	91.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.108	C	C	.	.	S	Bend	trans	-79.2	151.9	175.3	-66.7	179.3	0	0	0	111.3	R564 G565 K569 M575 H665 A670 V672	R564-L567 PolarHBondContact NH1-O 3.09Å; G565-L567 VanDerWaalsContact C-N 3.34Å; L567-K569 PolarHBondContact O-N 3.08Å; L567-M575 HydrophobicContact CD2-CE 4.38Å; L567-H665 HydrophobicContact CD2-CB 3.95Å; L567-H665 HydrophobicContact CG-CB 4.06Å; L567-A670 HydrophobicContact CB-CB 4.15Å; L567-A670 VanDerWaalsContact CD1-C 3.49Å; L567-A670 HydrophobicContact CD1-CB 3.81Å; L567-A670 WeakPolarHBondContact CD1-O 3.5Å; L567-V672 HydrophobicContact CD1-CG2 4.03Å; L567-V672 HydrophobicContact CD2-CG2 3.59Å; L567-V672 HydrophobicContact CG-CG2 4.5Å
568	L	87.9	Confident	91.1	Very high	32 Å²	32	22.8 Å²	22.8	17%	0.168	11%	0.107	C	C	.	.	S	Bend	trans	-55.9	-44.8	-172.7	-171.9	69.3	0	0	0	113.3	R564 N573 Y609 I611 Y619 V622	R564-L568 PolarHBondContact NH1-O 2.78Å; L568-N573 WeakPolarHBondContact CB-OD1 3.13Å; L568-N573 PolarHBondContact N-OD1 3.29Å; L568-Y609 HydrophobicContact CB-CD1 4.01Å; L568-Y609 HydrophobicContact CB-CE1 3.79Å; L568-Y609 HydrophobicContact CB-CG 4.48Å; L568-Y609 HydrophobicContact CD2-CD1 4.15Å; L568-Y609 HydrophobicContact CD2-CG 4.12Å; L568-I611 HydrophobicContact CD2-CG2 3.74Å; L568-Y619 HydrophobicContact CD1-CD1 3.42Å; L568-Y619 VanDerWaalsContact CD1-CD1 3.42Å; L568-Y619 HydrophobicContact CD1-CE1 3.84Å; L568-Y619 HydrophobicContact CD1-CG 3.88Å; L568-Y619 HydrophobicContact CD2-CD1 4.27Å; L568-Y619 HydrophobicContact CD2-CD2 4.01Å; L568-Y619 HydrophobicContact CD2-CE2 4.4Å; L568-Y619 HydrophobicContact CD2-CG 3.96Å; L568-Y619 HydrophobicContact CG-CD1 3.78Å; L568-Y619 HydrophobicContact CG-CD2 4.27Å; L568-Y619 HydrophobicContact CG-CE1 3.85Å; L568-Y619 HydrophobicContact CG-CE2 4.35Å; L568-Y619 HydrophobicContact CG-CG 4Å; L568-V622 HydrophobicContact CD1-CG2 3.92Å; L568-V622 HydrophobicContact CD2-CG2 4.1Å
569	K	89.4	Confident	91	Very high	43 Å²	43	22.9 Å²	22.9	19%	0.187	11%	0.11	C	C	.	.	S	Bend	trans	-141.6	163.7	-176.3	68.2	-175	-173.4	-173.4	0	113.2	L567 E572 N573 E615	L567-K569 PolarHBondContact O-N 3.08Å; K569-E572 WeakPolarHBondContact CE-O 3.34Å; K569-N573 PolarHBondContact N-OD1 2.72Å; K569-N573 PolarHBondContact O-ND2 3.18Å; K569-E615 IonicContact NZ-OE1 2.6Å; K569-E615 PolarHBondContact NZ-OE1 3.33Å; K569-E615 IonicContact NZ-OE2 3.72Å
570	W	89.2	Confident	90.9	Very high	56 Å²	56	21.6 Å²	21.6	21%	0.212	10%	0.102	C	C	.	.	S	Bend	trans	-63	142.9	170.7	-66.5	91.3	0	0	0	110.8	L535 P542 L548 A551 P552 R564 N669	L535-W570 HydrophobicContact CD2-CH2 3.69Å; L535-W570 HydrophobicContact CD2-CZ2 3.53Å; P542-W570 HydrophobicContact CB-CD2 4.32Å; P542-W570 HydrophobicContact CG-CD2 4.12Å; P542-W570 HydrophobicContact CG-CE3 4Å; P542-W570 HydrophobicContact CG-CH2 3.84Å; P542-W570 HydrophobicContact CG-CZ2 4Å; P542-W570 HydrophobicContact CG-CZ3 3.85Å; L548-W570 HydrophobicContact CD2-CH2 4.03Å; L548-W570 HydrophobicContact CD2-CZ3 4.16Å; A551-W570 HydrophobicContact CB-CE3 3.97Å; A551-W570 HydrophobicContact CB-CZ3 3.7Å; P552-W570 HydrophobicContact CG-CB 4.28Å; R564-W570 HydrophobicContact CB-CD2 3.89Å; R564-W570 HydrophobicContact CB-CE3 4.27Å; R564-W570 HydrophobicContact CB-CG 4.33Å; R564-W570 HydrophobicContact CB-CH2 4.43Å; R564-W570 HydrophobicContact CB-CZ2 4.02Å; R564-W570 HydrophobicContact CG-CD2 4.44Å; R564-W570 HydrophobicContact CG-CG 4.36Å; W570-N669 HydrophobicContact CE3-CB 3.72Å; W570-N669 HydrophobicContact CZ3-CB 3.58Å
571	G	93.1	Very high	90.8	Very high	5 Å²	5	23.2 Å²	23.2	5%	0.052	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	78	-139.9	-179.7	0	0	0	0	0	113.9	N573 N669 A670 W671	G571-N573 PolarHBondContact O-N 2.61Å; G571-N573 PolarHBondContact O-ND2 3.05Å; G571-N669 WeakPolarHBondContact CA-O 3.38Å; G571-N669 PolarHBondContact N-O 3.34Å; G571-A670 WeakPolarHBondContact O-CA 3.21Å; G571-W671 VanDerWaalsContact CA-CZ3 3.5Å; G571-W671 PolarHBondContact O-N 3.36Å
572	E	95	Very high	90.7	Very high	70 Å²	70	25.6 Å²	25.6	33%	0.327	12%	0.119	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	119.5	-173.6	-170	-169.6	-171.3	0	0	112.4	K569 K574 W671 T673	K569-E572 WeakPolarHBondContact CE-O 3.34Å; E572-K574 HydrophobicContact CG-CG 4.3Å; E572-K574 WeakPolarHBondContact OE1-CE 3.25Å; E572-K574 IonicContact OE1-NZ 3.59Å; E572-K574 WeakPolarHBondContact OE2-CE 3.45Å; E572-K574 IonicContact OE2-NZ 2.77Å; E572-K574 PolarHBondContact OE2-NZ 2.71Å; E572-W671 HydrophobicContact CB-CZ2 3.99Å; E572-T673 HydrophobicContact CG-CG2 3.84Å; E572-T673 WeakPolarHBondContact CG-OG1 3.43Å; E572-T673 WeakPolarHBondContact OE1-CB 3.38Å; E572-T673 VanDerWaalsContact OE1-CG2 3.3Å; E572-T673 WeakPolarHBondContact OE1-CG2 3.37Å; E572-T673 PolarHBondContact OE1-OG1 3.03Å
573	N	95	Very high	90.2	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	105.9	172.8	-71.2	-99	0	0	0	109.7	L568 K569 G571 Y609 W671 V672 T673	L568-N573 WeakPolarHBondContact CB-OD1 3.13Å; L568-N573 PolarHBondContact N-OD1 3.29Å; K569-N573 PolarHBondContact N-OD1 2.72Å; K569-N573 PolarHBondContact O-ND2 3.18Å; G571-N573 PolarHBondContact O-N 2.61Å; G571-N573 PolarHBondContact O-ND2 3.05Å; N573-Y609 HydrophobicContact CB-CD1 4.46Å; N573-Y609 HydrophobicContact CB-CE1 3.99Å; N573-W671 VanDerWaalsContact CB-O 3.31Å; N573-W671 WeakPolarHBondContact CB-O 3.3Å; N573-W671 PolarHBondContact N-O 3.01Å; N573-W671 PolarHBondContact ND2-O 3.36Å; N573-V672 HydrophobicContact CB-CG2 4.33Å; N573-V672 VanDerWaalsContact O-CA 3.31Å; N573-V672 WeakPolarHBondContact O-CA 3.44Å; N573-T673 PolarHBondContact O-N 3.23Å
574	K	94	Very high	89.9	Confident	92 Å²	92	35.9 Å²	35.9	40%	0.4	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	125.7	-178.7	-71.1	176.9	-177.3	170.5	0	110.5	E572 K610 T673	E572-K574 HydrophobicContact CG-CG 4.3Å; E572-K574 WeakPolarHBondContact OE1-CE 3.25Å; E572-K574 IonicContact OE1-NZ 3.59Å; E572-K574 WeakPolarHBondContact OE2-CE 3.45Å; E572-K574 IonicContact OE2-NZ 2.77Å; E572-K574 PolarHBondContact OE2-NZ 2.71Å; K574-K610 HydrophobicContact CB-CB 3.88Å; K574-K610 HydrophobicContact CB-CD 4.41Å; K574-K610 PolarHBondContact O-N 3.34Å; K574-T673 CarbonylContact C-O 3.58Å; K574-T673 WeakPolarHBondContact CA-O 3.06Å; K574-T673 WeakPolarHBondContact CG-OG1 3.41Å
575	M	92.9	Very high	89.5	Confident	5 Å²	5	43.8 Å²	43.8	3%	0.025	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	144.1	175.7	-71.8	-177.6	177.8	0	0	111.9	L567 M607 F608 Y609 V672 T673 A674 T675	L567-M575 HydrophobicContact CD2-CE 4.38Å; M575-M607 HydrophobicContact CE-CE 3.98Å; M575-M607 HydrophobicContact SD-CE 3.19Å; M575-M607 WeakPolarHBondContact SD-CE 3.28Å; M575-F608 CarbonylContact C-O 3.54Å; M575-F608 VanDerWaalsContact CA-O 3.31Å; M575-F608 WeakPolarHBondContact CA-O 3.31Å; M575-Y609 HydrophobicContact CE-CD1 4.26Å; M575-Y609 HydrophobicContact CE-CE1 3.49Å; M575-Y609 VanDerWaalsContact CE-CE1 3.49Å; M575-Y609 HydrophobicContact CE-CE2 4.04Å; M575-Y609 WeakPolarHBondContact CE-OH 3.05Å; M575-Y609 HydrophobicContact CG-CD1 4.27Å; M575-Y609 HydrophobicContact CG-CE1 4.35Å; M575-V672 HydrophobicContact CB-CG1 4.02Å; M575-V672 HydrophobicContact CE-CG1 4.22Å; M575-V672 HydrophobicContact CE-CG2 3.86Å; M575-V672 HydrophobicContact CG-CG1 3.73Å; M575-V672 HydrophobicContact SD-CB 4.45Å; M575-V672 HydrophobicContact SD-CG1 3.42Å; M575-V672 WeakPolarHBondContact SD-CG1 3.44Å; M575-V672 HydrophobicContact SD-CG2 4.15Å; M575-T673 PolarHBondContact N-O 3.27Å; M575-A674 HydrophobicContact CB-CB 4.48Å; M575-A674 CarbonylContact O-C 3.49Å; M575-A674 WeakPolarHBondContact O-CA 3.18Å; M575-T675 PolarHBondContact O-N 3.06Å
576	E	91.8	Very high	88.8	Confident	6 Å²	6	50 Å²	50	3%	0.028	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	122.6	173.4	-69.4	-175	155.2	0	0	108.6	F608 K610 L625 R647 Y677	E576-F608 PolarHBondContact N-O 3.13Å; E576-F608 PolarHBondContact O-N 3.38Å; E576-K610 HydrophobicContact CG-CB 4.28Å; E576-K610 HydrophobicContact CG-CD 4.35Å; E576-K610 WeakPolarHBondContact OE1-CD 3.42Å; E576-K610 WeakPolarHBondContact OE1-CE 3.45Å; E576-K610 IonicContact OE1-NZ 2.8Å; E576-K610 PolarHBondContact OE1-NZ 2.82Å; E576-L625 HydrophobicContact CB-CD1 3.76Å; E576-R647 IonicContact OE1-CZ 2.71Å; E576-R647 IonicContact OE1-NH1 3.96Å; E576-R647 PolarHBondContact OE1-NH1 2.62Å; E576-R647 VanDerWaalsContact OE1-NH1 3.1Å; E576-R647 IonicContact OE1-NH2 3.92Å; E576-R647 PolarHBondContact OE1-NH2 3.35Å; E576-R647 IonicContact OE2-CZ 2.81Å; E576-R647 IonicContact OE2-NH1 2.72Å; E576-R647 PolarHBondContact OE2-NH1 3.16Å; E576-R647 IonicContact OE2-NH2 2.62Å; E576-R647 PolarHBondContact OE2-NH2 3.48Å; E576-Y677 HydrophobicContact CB-CE2 3.96Å; E576-Y677 HydrophobicContact CG-CE2 4.05Å; E576-Y677 PolarHBondContact OE1-OH 2.83Å
577	I	91.1	Very high	88.6	Confident	13 Å²	13	49.3 Å²	49.3	7%	0.067	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	102.1	-172.8	-51.8	-176.5	0	0	0	109.2	L605 P606 M607 L661 A674 T675 V676 Y677	I577-L605 HydrophobicContact CG2-CB 4.08Å; I577-L605 HydrophobicContact CG2-CD1 4.29Å; I577-P606 WeakPolarHBondContact CG2-O 3.19Å; I577-M607 HydrophobicContact CD1-CG 4.15Å; I577-M607 HydrophobicContact CG1-CG 4.06Å; I577-L661 HydrophobicContact CD1-CD2 3.99Å; I577-A674 HydrophobicContact CD1-CB 4.01Å; I577-T675 PolarHBondContact N-O 3Å; I577-V676 HydrophobicContact CB-CG2 4.23Å; I577-V676 HydrophobicContact CD1-CG2 4.47Å; I577-V676 WeakPolarHBondContact O-CA 3.37Å; I577-Y677 PolarHBondContact O-N 3.19Å
578	P	90.1	Very high	88.4	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	119.6	174.5	31.6	-30.5	0	0	0	112	V580 P606 F608 L625 F629 M650	P578-V580 HydrophobicContact CB-CG2 4.21Å; P578-V580 PolarHBondContact O-N 3.44Å; P578-P606 WeakPolarHBondContact CD-O 3.25Å; P578-P606 HydrophobicContact CG-CB 4.11Å; P578-F608 HydrophobicContact CG-CE2 4.25Å; P578-L625 HydrophobicContact CB-CD1 4.41Å; P578-L625 HydrophobicContact CG-CD1 3.85Å; P578-L625 HydrophobicContact CG-CG 4.37Å; P578-F629 HydrophobicContact CG-CE2 3.65Å; P578-F629 HydrophobicContact CG-CZ 4.04Å; P578-M650 HydrophobicContact CB-CE 3.36Å; P578-M650 HydrophobicContact CB-SD 3.73Å; P578-M650 HydrophobicContact CG-CE 3.92Å
579	I	89.8	Confident	88.4	Confident	37 Å²	37	52.9 Å²	52.9	19%	0.19	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	98.8	164.7	-55.3	-178.5	0	0	0	106.9	I581 V590 L605 L656 V676 Y677 L678 V679	I579-I581 HydrophobicContact CG2-CG2 4.03Å; I579-V590 HydrophobicContact CG2-CG1 4.06Å; I579-L605 HydrophobicContact CD1-CD1 4.37Å; I579-L605 HydrophobicContact CG1-CD1 4.2Å; I579-L605 HydrophobicContact CG1-CD2 4.34Å; I579-L656 HydrophobicContact CD1-CD1 4.14Å; I579-V676 HydrophobicContact CD1-CG1 3.74Å; I579-V676 HydrophobicContact CG1-CG1 3.97Å; I579-Y677 PolarHBondContact N-O 2.91Å; I579-L678 HydrophobicContact CB-CD1 4.15Å; I579-L678 HydrophobicContact CG2-CD1 3.96Å; I579-V679 PolarHBondContact O-N 3.49Å
580	V	89.6	Confident	88.4	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	121.2	178.3	-170	0	0	0	0	108.7	P578 V590 L591 F629 V679 T681 F687 W703	P578-V580 HydrophobicContact CB-CG2 4.21Å; P578-V580 PolarHBondContact O-N 3.44Å; V580-V590 WeakPolarHBondContact O-CA 3.39Å; V580-L591 HydrophobicContact CB-CB 3.93Å; V580-L591 HydrophobicContact CB-CD2 4.3Å; V580-L591 HydrophobicContact CG2-CD2 4.33Å; V580-L591 PolarHBondContact O-N 3.23Å; V580-F629 HydrophobicContact CG2-CZ 4.39Å; V580-V679 CarbonylContact C-O 3.53Å; V580-V679 WeakPolarHBondContact CA-O 3.36Å; V580-T681 HydrophobicContact CG1-CG2 4.35Å; V580-F687 HydrophobicContact CB-CD1 4.47Å; V580-F687 HydrophobicContact CG1-CB 3.7Å; V580-F687 HydrophobicContact CG1-CD1 3.77Å; V580-F687 HydrophobicContact CG1-CG 3.83Å; V580-F687 HydrophobicContact CG2-CD1 3.81Å; V580-F687 HydrophobicContact CG2-CE1 3.94Å; V580-W703 HydrophobicContact CB-CH2 4.49Å; V580-W703 HydrophobicContact CG1-CH2 3.78Å; V580-W703 HydrophobicContact CG1-CZ3 4.45Å
581	I	89.8	Confident	88.3	Confident	35 Å²	35	48.9 Å²	48.9	18%	0.179	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	142.6	179.2	65.3	169.3	0	0	0	111.2	I579 I588 E589 V590 L678 V679 S680 T681	I579-I581 HydrophobicContact CG2-CG2 4.03Å; I581-I588 HydrophobicContact CB-CG2 4.02Å; I581-I588 HydrophobicContact CG2-CG2 4.37Å; I581-E589 CarbonylContact C-O 3.5Å; I581-E589 VanDerWaalsContact CA-O 3.27Å; I581-E589 WeakPolarHBondContact CA-O 3.37Å; I581-V590 HydrophobicContact CG2-CG2 4.14Å; I581-L678 HydrophobicContact CD1-CD1 4.03Å; I581-L678 HydrophobicContact CD1-CG 4.49Å; I581-L678 HydrophobicContact CG1-CD1 4.22Å; I581-L678 HydrophobicContact CG2-CD1 4.02Å; I581-V679 PolarHBondContact N-O 3.12Å; I581-S680 CarbonylContact O-C 3.54Å; I581-S680 VanDerWaalsContact O-CA 3.24Å; I581-S680 WeakPolarHBondContact O-CA 3.45Å; I581-T681 PolarHBondContact O-N 3.16Å
582	R	89.4	Confident	88	Confident	49 Å²	49	50.1 Å²	50.1	19%	0.185	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	142	166.7	67.9	-179.7	-177.3	177.6	-1.8	110.3	I588 E589 T681 E688 W703	R582-I588 WeakPolarHBondContact O-CA 3.45Å; R582-E589 HydrophobicContact CG-CB 3.95Å; R582-E589 IonicContact CZ-OE2 3.69Å; R582-E589 PolarHBondContact N-O 2.9Å; R582-E589 IonicContact NE-OE2 3.08Å; R582-E589 PolarHBondContact NE-OE2 3.2Å; R582-E589 IonicContact NH2-OE2 3.42Å; R582-E589 PolarHBondContact NH2-OE2 2.99Å; R582-E589 PolarHBondContact O-N 3.17Å; R582-T681 WeakPolarHBondContact CA-OG1 3.5Å; R582-T681 HydrophobicContact CB-CG2 3.7Å; R582-T681 WeakPolarHBondContact CB-OG1 3.28Å; R582-E688 WeakPolarHBondContact CD-OE1 3.2Å; R582-E688 IonicContact CZ-OE1 3.65Å; R582-E688 IonicContact NH1-OE1 3Å; R582-E688 PolarHBondContact NH1-OE1 3.13Å; R582-W703 HydrophobicContact CB-CH2 4.1Å; R582-W703 HydrophobicContact CB-CZ3 4.05Å; R582-W703 HydrophobicContact CG-CD2 4.26Å; R582-W703 HydrophobicContact CG-CE3 3.79Å; R582-W703 HydrophobicContact CG-CH2 4.06Å; R582-W703 HydrophobicContact CG-CZ3 3.69Å
583	K	82.3	Confident	87.2	Confident	151 Å²	151	47.9 Å²	47.9	66%	0.657	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-98.4	119.3	176.9	-172.6	-176.2	179.5	-172.2	0	107.8	I682	K583-I682 HydrophobicContact CB-CD1 3.91Å; K583-I682 HydrophobicContact CD-CD1 4.26Å
584	L	83.2	Confident	86	Confident	74 Å²	74	53 Å²	53	39%	0.387	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	171	170	-61.8	176.4	0	0	0	108.9	D586 G587 E589	L584-D586 PolarHBondContact O-N 3.25Å; L584-G587 PolarHBondContact N-O 3.09Å; L584-G587 PolarHBondContact O-N 3.03Å; L584-G587 VanDerWaalsContact O-O 3.08Å; L584-E589 HydrophobicContact CD1-CG 3.68Å; L584-E589 HydrophobicContact CG-CG 4.41Å
585	E	79.4	Confident	84.7	Confident	200 Å²	200	53.5 Å²	53.5	94%	0.935	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-41.6	174.1	-66.9	-178	169.8	0	0	111.2	G587	E585-G587 PolarHBondContact O-N 2.71Å
586	D	75.6	Confident	83.1	Confident	135 Å²	135	59 Å²	59	72%	0.722	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	20.2	-176	-72.5	-22	0	0	0	115.2	L584 K705	L584-D586 PolarHBondContact O-N 3.25Å; D586-K705 WeakPolarHBondContact O-CE 3.41Å; D586-K705 PolarHBondContact O-NZ 3.25Å
587	G	82	Confident	81.6	Confident	31 Å²	31	60.6 Å²	60.6	32%	0.32	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	134.9	-153.7	173	0	0	0	0	0	115.3	L584 E585	L584-G587 PolarHBondContact N-O 3.09Å; L584-G587 PolarHBondContact O-N 3.03Å; L584-G587 VanDerWaalsContact O-O 3.08Å; E585-G587 PolarHBondContact O-N 2.71Å
588	I	85	Confident	80.2	Confident	76 Å²	76	65.7 Å²	65.7	39%	0.39	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	136.4	-178.6	-59.4	174.2	0	0	0	108.5	I581 R582 F706	I581-I588 HydrophobicContact CB-CG2 4.02Å; I581-I588 HydrophobicContact CG2-CG2 4.37Å; R582-I588 WeakPolarHBondContact O-CA 3.45Å; I588-F706 HydrophobicContact CB-CB 4.47Å; I588-F706 VanDerWaalsContact O-CB 3.28Å; I588-F706 WeakPolarHBondContact O-CB 3.43Å; I588-F706 PolarHBondContact O-N 3.38Å
589	E	87.9	Confident	78.8	Confident	31 Å²	31	70.4 Å²	70.4	15%	0.145	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	149.3	167.9	-55.3	-168.4	141.5	0	0	110.5	I581 R582 L584 W703 Q704 K705	I581-E589 CarbonylContact C-O 3.5Å; I581-E589 VanDerWaalsContact CA-O 3.27Å; I581-E589 WeakPolarHBondContact CA-O 3.37Å; R582-E589 HydrophobicContact CG-CB 3.95Å; R582-E589 IonicContact CZ-OE2 3.69Å; R582-E589 PolarHBondContact N-O 2.9Å; R582-E589 IonicContact NE-OE2 3.08Å; R582-E589 PolarHBondContact NE-OE2 3.2Å; R582-E589 IonicContact NH2-OE2 3.42Å; R582-E589 PolarHBondContact NH2-OE2 2.99Å; R582-E589 PolarHBondContact O-N 3.17Å; L584-E589 HydrophobicContact CD1-CG 3.68Å; L584-E589 HydrophobicContact CG-CG 4.41Å; E589-W703 HydrophobicContact CB-CB 4.49Å; E589-W703 HydrophobicContact CB-CE3 4.13Å; E589-Q704 CarbonylContact C-O 3.58Å; E589-Q704 VanDerWaalsContact CA-O 3.24Å; E589-Q704 WeakPolarHBondContact CA-O 3.43Å; E589-K705 HydrophobicContact CG-CB 4.43Å
590	V	89.4	Confident	77.6	Confident	16 Å²	16	74.4 Å²	74.4	10%	0.097	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	138.2	177.3	-171.1	0	0	0	0	108.7	I579 V580 I581 L592 L605 Q704 F706	I579-V590 HydrophobicContact CG2-CG1 4.06Å; V580-V590 WeakPolarHBondContact O-CA 3.39Å; I581-V590 HydrophobicContact CG2-CG2 4.14Å; V590-L592 HydrophobicContact CB-CD2 4.42Å; V590-L592 HydrophobicContact CG1-CD2 3.9Å; V590-L592 HydrophobicContact CG1-CG 4.45Å; V590-L592 PolarHBondContact O-N 3.48Å; V590-L605 HydrophobicContact CG1-CD2 4.46Å; V590-Q704 PolarHBondContact N-O 3.19Å; V590-Q704 PolarHBondContact O-N 3.39Å; V590-F706 HydrophobicContact CG2-CB 4.13Å; V590-F706 HydrophobicContact CG2-CD2 3.87Å; V590-F706 HydrophobicContact CG2-CG 4.39Å
591	L	88.6	Confident	76.1	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	113.6	172.2	-171.2	71.3	0	0	0	109.3	V580 F629 L690 L692 W703	V580-L591 HydrophobicContact CB-CB 3.93Å; V580-L591 HydrophobicContact CB-CD2 4.3Å; V580-L591 HydrophobicContact CG2-CD2 4.33Å; V580-L591 PolarHBondContact O-N 3.23Å; L591-F629 HydrophobicContact CD2-CE1 3.76Å; L591-F629 HydrophobicContact CD2-CZ 4.32Å; L591-L690 HydrophobicContact CD2-CD1 4.05Å; L591-L692 HydrophobicContact CD1-CD1 3.67Å; L591-L692 HydrophobicContact CD1-CD2 4.36Å; L591-W703 HydrophobicContact CB-CD2 4.46Å; L591-W703 HydrophobicContact CB-CE3 4.02Å; L591-W703 HydrophobicContact CB-CH2 4.06Å; L591-W703 HydrophobicContact CB-CZ2 4.48Å; L591-W703 HydrophobicContact CB-CZ3 3.8Å; L591-W703 HydrophobicContact CD1-CD2 4Å; L591-W703 HydrophobicContact CD1-CE3 4.4Å; L591-W703 HydrophobicContact CD1-CG 4.4Å; L591-W703 HydrophobicContact CD1-CZ2 4.18Å
592	L	85.8	Confident	74.9	Confident	30 Å²	30	74.7 Å²	74.7	16%	0.157	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	156.5	179.2	-60.4	-176.9	0	0	0	110.5	V590 A604 L605 Y701 K702 Q704	V590-L592 HydrophobicContact CB-CD2 4.42Å; V590-L592 HydrophobicContact CG1-CD2 3.9Å; V590-L592 HydrophobicContact CG1-CG 4.45Å; V590-L592 PolarHBondContact O-N 3.48Å; L592-A604 CarbonylContact C-O 3.37Å; L592-A604 VanDerWaalsContact CA-O 3.3Å; L592-A604 WeakPolarHBondContact CA-O 3.34Å; L592-L605 HydrophobicContact CD2-CD2 3.66Å; L592-Y701 CarbonylContact O-C 3.41Å; L592-Y701 VanDerWaalsContact O-CA 3.27Å; L592-Y701 WeakPolarHBondContact O-CA 3.42Å; L592-K702 PolarHBondContact N-O 2.88Å; L592-K702 PolarHBondContact O-N 3.45Å; L592-K702 VanDerWaalsContact O-O 3.06Å; L592-Q704 HydrophobicContact CD1-CB 3.82Å; L592-Q704 HydrophobicContact CD1-CG 4.17Å; L592-Q704 HydrophobicContact CG-CB 4.31Å
593	R	77.7	Confident	73.8	Confident	23 Å²	23	74.3 Å²	74.3	9%	0.087	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	132.4	166.5	-161.8	179.8	-179.5	-151.4	9.5	109	Q595 E602 A604 Q698 H700 Y701	R593-Q595 VanDerWaalsContact CD-O 3.23Å; R593-Q595 WeakPolarHBondContact CD-O 3.45Å; R593-Q595 WeakPolarHBondContact CG-O 3.45Å; R593-Q595 PolarHBondContact NE-O 3.08Å; R593-Q595 PolarHBondContact NH1-O 3.26Å; R593-E602 IonicContact CZ-OE2 2.94Å; R593-E602 IonicContact NH1-OE2 3.48Å; R593-E602 PolarHBondContact NH1-OE2 2.87Å; R593-E602 IonicContact NH2-OE1 3.93Å; R593-E602 IonicContact NH2-OE2 2.63Å; R593-E602 PolarHBondContact NH2-OE2 3.13Å; R593-A604 PolarHBondContact N-O 3.45Å; R593-Q698 PolarHBondContact NH2-O 3.48Å; R593-H700 CarbonylContact C-O 3.5Å; R593-H700 WeakPolarHBondContact CA-O 3.24Å; R593-H700 WeakPolarHBondContact CG-O 3.18Å; R593-Y701 HydrophobicContact CB-CD1 4.28Å; R593-Y701 HydrophobicContact CB-CE1 4.4Å
594	Y	69.7	Low	73.6	Confident	109 Å²	109	69.1 Å²	69.1	43%	0.427	34%	0.344	S	S	.	.	S	Bend	trans	-88.8	-24.2	179.9	78.9	-110.1	0	0	0	113.4	H700	Y594-H700 HydrophobicContact CD1-CB 3.66Å; Y594-H700 VanDerWaalsContact CD1-O 3.23Å; Y594-H700 WeakPolarHBondContact CD1-O 3.12Å; Y594-H700 HydrophobicContact CD2-CB 4.45Å; Y594-H700 HydrophobicContact CE1-CB 3.22Å; Y594-H700 AromaticContact CE1-CG 3.64Å; Y594-H700 AromaticContact CE1-ND1 3.76Å; Y594-H700 HydrophobicContact CE2-CB 4.03Å; Y594-H700 HydrophobicContact CG-CB 4.25Å; Y594-H700 AromaticContact CZ-CG 3.41Å; Y594-H700 VanDerWaalsContact CZ-CG 3.41Å; Y594-H700 AromaticContact CZ-ND1 3.64Å; Y594-H700 PolarHBondContact N-O 2.75Å; Y594-H700 PolarHBondContact OH-CE1 3.28Å; Y594-H700 PolarHBondContact OH-ND1 3.03Å
595	Q	66.7	Low	73.7	Confident	103 Å²	103	67.8 Å²	67.8	48%	0.481	34%	0.337	S	S	.	.	S	Bend	trans	-105.2	97.2	170.1	-86.4	175	-0.8	0	0	109.2	R593 H700	R593-Q595 VanDerWaalsContact CD-O 3.23Å; R593-Q595 WeakPolarHBondContact CD-O 3.45Å; R593-Q595 WeakPolarHBondContact CG-O 3.45Å; R593-Q595 PolarHBondContact NE-O 3.08Å; R593-Q595 PolarHBondContact NH1-O 3.26Å; Q595-H700 HydrophobicContact CB-CB 4.47Å; Q595-H700 PolarHBondContact OE1-CD2 2.9Å
596	Y	60	Low	74	Confident	121 Å²	121	58.4 Å²	58.4	48%	0.475	29%	0.294	S	S	.	.			trans	-77.3	132	170.8	177.1	-121.8	0	0	0	109.1	E598 E602	Y596-E598 HydrophobicContact CD1-CG 3.74Å; Y596-E598 HydrophobicContact CE1-CB 4.29Å; Y596-E598 HydrophobicContact CE1-CG 3.04Å; Y596-E598 WeakPolarHBondContact CE1-OE1 3.48Å; Y596-E602 WeakPolarHBondContact CD2-O 3Å; Y596-E602 WeakPolarHBondContact CE2-O 3.4Å
597	D	60.9	Low	74.6	Confident	38 Å²	38	53.5 Å²	53.5	20%	0.203	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-119	95.4	179.2	-173.1	-24.4	0	0	0	107.8	E599 K600 G601 E602	D597-E599 PolarHBondContact O-N 3.24Å; D597-E599 WeakPolarHBondContact OD1-CB 3.41Å; D597-E599 PolarHBondContact OD1-N 2.98Å; D597-K600 HydrophobicContact CB-CB 4.4Å; D597-K600 PolarHBondContact O-N 3.33Å; D597-K600 PolarHBondContact OD1-N 2.99Å; D597-K600 VanDerWaalsContact OD1-N 3.1Å; D597-K600 VanDerWaalsContact OD2-CD 3.29Å; D597-K600 WeakPolarHBondContact OD2-CD 3.25Å; D597-K600 VanDerWaalsContact OD2-CE 3.26Å; D597-K600 WeakPolarHBondContact OD2-CE 3.14Å; D597-K600 IonicContact OD2-NZ 3.66Å; D597-K600 PolarHBondContact OD2-NZ 2.87Å; D597-G601 PolarHBondContact O-N 3.15Å; D597-E602 WeakPolarHBondContact CB-OE2 3.3Å; D597-E602 PolarHBondContact O-N 2.57Å; D597-E602 VanDerWaalsContact O-N 3.1Å
598	E	60.9	Low	75	Confident	120 Å²	120	52.4 Å²	52.4	56%	0.561	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-34.6	177.2	-75.6	-176.5	178.1	0	0	111.9	Y596 K600 G601	Y596-E598 HydrophobicContact CD1-CG 3.74Å; Y596-E598 HydrophobicContact CE1-CB 4.29Å; Y596-E598 HydrophobicContact CE1-CG 3.04Å; Y596-E598 WeakPolarHBondContact CE1-OE1 3.48Å; E598-K600 VanDerWaalsContact C-N 3.34Å; E598-K600 PolarHBondContact O-N 2.8Å; E598-G601 PolarHBondContact O-N 2.86Å; E598-G601 VanDerWaalsContact O-N 3.13Å
599	E	60.5	Low	75.3	Confident	99 Å²	99	51.4 Å²	51.4	46%	0.463	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-36.4	-177.4	-65.9	-171	172.2	0	0	112.3	N507 L566 D597 G601 H665	N507-E599 HydrophobicContact CB-CG 3.83Å; N507-E599 WeakPolarHBondContact CB-OE1 3.4Å; N507-E599 VanDerWaalsContact CG-OE1 3.31Å; N507-E599 VanDerWaalsContact ND2-CD 3.35Å; N507-E599 WeakPolarHBondContact ND2-CG 3.12Å; N507-E599 PolarHBondContact ND2-OE1 3.29Å; L566-E599 WeakPolarHBondContact CD1-O 3.45Å; D597-E599 PolarHBondContact O-N 3.24Å; D597-E599 WeakPolarHBondContact OD1-CB 3.41Å; D597-E599 PolarHBondContact OD1-N 2.98Å; E599-G601 VanDerWaalsContact C-N 3.32Å; E599-H665 PolarHBondContact O-CE1 2.83Å; E599-H665 VanDerWaalsContact O-CE1 3.29Å
600	K	64.1	Low	75.4	Confident	122 Å²	122	54.1 Å²	54.1	53%	0.53	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-8.9	175.2	-65.9	-179.3	-167.7	130.8	0	113	D597 E598 E602	D597-K600 HydrophobicContact CB-CB 4.4Å; D597-K600 PolarHBondContact O-N 3.33Å; D597-K600 PolarHBondContact OD1-N 2.99Å; D597-K600 VanDerWaalsContact OD1-N 3.1Å; D597-K600 VanDerWaalsContact OD2-CD 3.29Å; D597-K600 WeakPolarHBondContact OD2-CD 3.25Å; D597-K600 VanDerWaalsContact OD2-CE 3.26Å; D597-K600 WeakPolarHBondContact OD2-CE 3.14Å; D597-K600 IonicContact OD2-NZ 3.66Å; D597-K600 PolarHBondContact OD2-NZ 2.87Å; E598-K600 VanDerWaalsContact C-N 3.34Å; E598-K600 PolarHBondContact O-N 2.8Å; K600-E602 HydrophobicContact CB-CB 4.49Å; K600-E602 HydrophobicContact CB-CG 3.61Å
601	G	58.3	Low	75.3	Confident	5 Å²	5	54.3 Å²	54.3	5%	0.052	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.8	24.8	-177.9	0	0	0	0	0	111.7	D597 E598 E599 H663 H665	D597-G601 PolarHBondContact O-N 3.15Å; E598-G601 PolarHBondContact O-N 2.86Å; E598-G601 VanDerWaalsContact O-N 3.13Å; E599-G601 VanDerWaalsContact C-N 3.32Å; G601-H663 PolarHBondContact O-NE2 3.06Å; G601-H663 VanDerWaalsContact O-NE2 3.15Å; G601-H665 WeakPolarHBondContact CA-CE1 3.48Å; G601-H665 PolarHBondContact N-CE1 3.08Å
602	E	64.3	Low	74.9	Confident	35 Å²	35	57.2 Å²	57.2	16%	0.164	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-89.1	117.3	-173.7	-68.9	174.5	148.1	0	0	109.6	R593 Y596 D597 K600 F699	R593-E602 IonicContact CZ-OE2 2.94Å; R593-E602 IonicContact NH1-OE2 3.48Å; R593-E602 PolarHBondContact NH1-OE2 2.87Å; R593-E602 IonicContact NH2-OE1 3.93Å; R593-E602 IonicContact NH2-OE2 2.63Å; R593-E602 PolarHBondContact NH2-OE2 3.13Å; Y596-E602 WeakPolarHBondContact CD2-O 3Å; Y596-E602 WeakPolarHBondContact CE2-O 3.4Å; D597-E602 WeakPolarHBondContact CB-OE2 3.3Å; D597-E602 PolarHBondContact O-N 2.57Å; D597-E602 VanDerWaalsContact O-N 3.1Å; K600-E602 HydrophobicContact CB-CB 4.49Å; K600-E602 HydrophobicContact CB-CG 3.61Å; E602-F699 WeakPolarHBondContact OE1-CE1 3.25Å
603	S	67.5	Low	74.6	Confident	42 Å²	42	65.4 Å²	65.4	29%	0.294	31%	0.311	S	S	.	.			trans	-65.4	164.6	-177.5	-175.8	0	0	0	0	115.1	L605 M607	S603-L605 CarbonylContact C-O 3.53Å; S603-L605 PolarHBondContact O-N 3.49Å; S603-L605 PolarHBondContact OG-N 3.26Å; S603-M607 WeakPolarHBondContact CB-SD 3.5Å; S603-M607 PolarHBondContact N-SD 2.69Å; S603-M607 VanDerWaalsContact N-SD 3.41Å
604	A	77.1	Confident	74.5	Confident	41 Å²	41	67.1 Å²	67.1	34%	0.339	34%	0.336	S	S	.	.	S	Bend	trans	-59.4	-23.3	160.2	0	0	0	0	0	112.2	L592 R593	L592-A604 CarbonylContact C-O 3.37Å; L592-A604 VanDerWaalsContact CA-O 3.3Å; L592-A604 WeakPolarHBondContact CA-O 3.34Å; R593-A604 PolarHBondContact N-O 3.45Å
605	L	85.9	Confident	75.1	Confident	47 Å²	47	63.9 Å²	63.9	25%	0.246	32%	0.324	C	S	.	.	S	Bend	trans	-87.5	147.5	169	-67.4	173.2	0	0	0	110.9	I577 I579 V590 L592 S603 M607	I577-L605 HydrophobicContact CG2-CB 4.08Å; I577-L605 HydrophobicContact CG2-CD1 4.29Å; I579-L605 HydrophobicContact CD1-CD1 4.37Å; I579-L605 HydrophobicContact CG1-CD1 4.2Å; I579-L605 HydrophobicContact CG1-CD2 4.34Å; V590-L605 HydrophobicContact CG1-CD2 4.46Å; L592-L605 HydrophobicContact CD2-CD2 3.66Å; S603-L605 CarbonylContact C-O 3.53Å; S603-L605 PolarHBondContact O-N 3.49Å; S603-L605 PolarHBondContact OG-N 3.26Å; L605-M607 PolarHBondContact O-N 2.8Å
606	P	86.4	Confident	75.7	Confident	2 Å²	2	62 Å²	62	1%	0.013	32%	0.315	C	S	.	.			trans	-57.5	131.8	170.8	-17.5	28.2	0	0	0	111	I577 P578 F608 F629 Y701	I577-P606 WeakPolarHBondContact CG2-O 3.19Å; P578-P606 WeakPolarHBondContact CD-O 3.25Å; P578-P606 HydrophobicContact CG-CB 4.11Å; P606-F608 HydrophobicContact CB-CE2 3.75Å; P606-F608 HydrophobicContact CB-CZ 4.35Å; P606-F629 HydrophobicContact CB-CZ 4.16Å; P606-F629 HydrophobicContact CG-CZ 4.23Å; P606-Y701 HydrophobicContact CB-CE1 3.86Å; P606-Y701 HydrophobicContact CG-CD1 4.22Å; P606-Y701 HydrophobicContact CG-CE1 3.69Å
607	M	87.8	Confident	76.5	Confident	33 Å²	33	64.6 Å²	64.6	16%	0.163	33%	0.331	C	S	.	.			trans	-133.9	134.9	179.8	-68.7	174.3	62.6	0	0	110.3	M575 I577 S603 L605	M575-M607 HydrophobicContact CE-CE 3.98Å; M575-M607 HydrophobicContact SD-CE 3.19Å; M575-M607 WeakPolarHBondContact SD-CE 3.28Å; I577-M607 HydrophobicContact CD1-CG 4.15Å; I577-M607 HydrophobicContact CG1-CG 4.06Å; S603-M607 WeakPolarHBondContact CB-SD 3.5Å; S603-M607 PolarHBondContact N-SD 2.69Å; S603-M607 VanDerWaalsContact N-SD 3.41Å; L605-M607 PolarHBondContact O-N 2.8Å
608	F	90.5	Very high	77.3	Confident	8 Å²	8	69.2 Å²	69.2	4%	0.035	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	131.8	-178.3	-59.9	-87.5	0	0	0	111	M575 E576 P578 P606 L625 H628 F629	M575-F608 CarbonylContact C-O 3.54Å; M575-F608 VanDerWaalsContact CA-O 3.31Å; M575-F608 WeakPolarHBondContact CA-O 3.31Å; E576-F608 PolarHBondContact N-O 3.13Å; E576-F608 PolarHBondContact O-N 3.38Å; P578-F608 HydrophobicContact CG-CE2 4.25Å; P606-F608 HydrophobicContact CB-CE2 3.75Å; P606-F608 HydrophobicContact CB-CZ 4.35Å; F608-L625 HydrophobicContact CB-CB 3.84Å; F608-L625 HydrophobicContact CD1-CB 4.24Å; F608-L625 HydrophobicContact CD2-CB 3.73Å; F608-L625 HydrophobicContact CD2-CD1 3.9Å; F608-L625 HydrophobicContact CD2-CG 3.76Å; F608-L625 HydrophobicContact CE2-CB 4.39Å; F608-L625 HydrophobicContact CE2-CG 4.14Å; F608-L625 HydrophobicContact CG-CB 3.65Å; F608-L625 HydrophobicContact CG-CG 4.23Å; F608-H628 HydrophobicContact CD1-CB 4.32Å; F608-H628 HydrophobicContact CE1-CB 3.53Å; F608-H628 AromaticContact CE1-CD2 3.56Å; F608-H628 AromaticContact CE1-CG 3.41Å; F608-H628 VanDerWaalsContact CE1-CG 3.41Å; F608-H628 HydrophobicContact CZ-CB 4.11Å; F608-H628 AromaticContact CZ-CD2 3.44Å; F608-H628 VanDerWaalsContact CZ-CD2 3.44Å; F608-H628 WeakPolarHBondContact CZ-CD2 3.35Å; F608-H628 AromaticContact CZ-CG 3.81Å; F608-F629 HydrophobicContact CE2-CD2 4.4Å; F608-F629 AromaticContact CE2-CE2 3.65Å; F608-F629 HydrophobicContact CE2-CE2 3.65Å; F608-F629 HydrophobicContact CE2-CZ 4.39Å; F608-F629 HydrophobicContact CZ-CD2 4.39Å; F608-F629 AromaticContact CZ-CE2 3.89Å; F608-F629 HydrophobicContact CZ-CE2 3.89Å
609	Y	91.1	Very high	78.4	Confident	54 Å²	54	65.6 Å²	65.6	21%	0.212	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	134.7	169.7	-76.1	-82.1	0	0	0	110.6	L568 N573 M575	L568-Y609 HydrophobicContact CB-CD1 4.01Å; L568-Y609 HydrophobicContact CB-CE1 3.79Å; L568-Y609 HydrophobicContact CB-CG 4.48Å; L568-Y609 HydrophobicContact CD2-CD1 4.15Å; L568-Y609 HydrophobicContact CD2-CG 4.12Å; N573-Y609 HydrophobicContact CB-CD1 4.46Å; N573-Y609 HydrophobicContact CB-CE1 3.99Å; M575-Y609 HydrophobicContact CE-CD1 4.26Å; M575-Y609 HydrophobicContact CE-CE1 3.49Å; M575-Y609 VanDerWaalsContact CE-CE1 3.49Å; M575-Y609 HydrophobicContact CE-CE2 4.04Å; M575-Y609 WeakPolarHBondContact CE-OH 3.05Å; M575-Y609 HydrophobicContact CG-CD1 4.27Å; M575-Y609 HydrophobicContact CG-CE1 4.35Å
610	K	90.4	Very high	79.2	Confident	89 Å²	89	64.5 Å²	64.5	39%	0.387	34%	0.336	S	S	.	.			trans	-95	100.9	173.2	-174.3	-178	-165.3	144.2	0	109.5	K574 E576	K574-K610 HydrophobicContact CB-CB 3.88Å; K574-K610 HydrophobicContact CB-CD 4.41Å; K574-K610 PolarHBondContact O-N 3.34Å; E576-K610 HydrophobicContact CG-CB 4.28Å; E576-K610 HydrophobicContact CG-CD 4.35Å; E576-K610 WeakPolarHBondContact OE1-CD 3.42Å; E576-K610 WeakPolarHBondContact OE1-CE 3.45Å; E576-K610 IonicContact OE1-NZ 2.8Å; E576-K610 PolarHBondContact OE1-NZ 2.82Å
611	I	86.9	Confident	80	Confident	19 Å²	19	65.5 Å²	65.5	10%	0.097	35%	0.348	C	S	.	.			trans	-98.3	142.1	176.9	50.5	165.6	0	0	0	111.4	L568 E615 K616 Y619 V622	L568-I611 HydrophobicContact CD2-CG2 3.74Å; I611-E615 HydrophobicContact CB-CB 4.27Å; I611-K616 HydrophobicContact CD1-CB 4.29Å; I611-K616 HydrophobicContact CD1-CD 3.29Å; I611-K616 HydrophobicContact CD1-CG 4.39Å; I611-Y619 HydrophobicContact CG2-CD2 4.36Å; I611-V622 HydrophobicContact CD1-CB 3.9Å; I611-V622 HydrophobicContact CD1-CG1 3.91Å; I611-V622 HydrophobicContact CG1-CG1 4.09Å; I611-V622 HydrophobicContact CG2-CG1 4.07Å
612	S	81.4	Confident	81.2	Confident	61 Å²	61	66.4 Å²	66.4	43%	0.427	35%	0.352	S	S	.	.			trans	-75.4	169.6	172.7	67.2	0	0	0	0	111.6	G614 E615 K616	S612-G614 VanDerWaalsContact C-N 3.33Å; S612-G614 PolarHBondContact O-N 3.03Å; S612-E615 WeakPolarHBondContact CB-OE2 3.41Å; S612-E615 PolarHBondContact N-OE2 3.42Å; S612-E615 PolarHBondContact O-N 3.14Å; S612-E615 WeakPolarHBondContact OG-CB 3.44Å; S612-E615 WeakPolarHBondContact OG-CG 3.3Å; S612-E615 PolarHBondContact OG-N 3.45Å; S612-E615 PolarHBondContact OG-OE2 3.48Å; S612-K616 PolarHBondContact O-N 2.81Å
613	K	77.6	Confident	82.2	Confident	203 Å²	203	68.6 Å²	68.6	88%	0.883	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-40.4	178.9	-77.5	-172.3	177.1	-176.3	0	112.6	K616	K613-K616 WeakPolarHBondContact O-CB 3.41Å; K613-K616 PolarHBondContact O-N 2.74Å
614	G	77.3	Confident	83.2	Confident	58 Å²	58	69.9 Å²	69.9	60%	0.598	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-34.1	178.5	0	0	0	0	0	112.9	S612 K616	S612-G614 VanDerWaalsContact C-N 3.33Å; S612-G614 PolarHBondContact O-N 3.03Å; G614-K616 PolarHBondContact O-N 3.21Å
615	E	81.4	Confident	83.8	Confident	41 Å²	41	68 Å²	68	19%	0.192	35%	0.347	C	S	.	.	H	α-helix	trans	-72.9	-14.7	176.7	-72.1	168.9	152.4	0	0	113.3	K569 I611 S612 E617 E618 Y619	K569-E615 IonicContact NZ-OE1 2.6Å; K569-E615 PolarHBondContact NZ-OE1 3.33Å; K569-E615 IonicContact NZ-OE2 3.72Å; I611-E615 HydrophobicContact CB-CB 4.27Å; S612-E615 WeakPolarHBondContact CB-OE2 3.41Å; S612-E615 PolarHBondContact N-OE2 3.42Å; S612-E615 PolarHBondContact O-N 3.14Å; S612-E615 WeakPolarHBondContact OG-CB 3.44Å; S612-E615 WeakPolarHBondContact OG-CG 3.3Å; S612-E615 PolarHBondContact OG-N 3.45Å; S612-E615 PolarHBondContact OG-OE2 3.48Å; E615-E617 PolarHBondContact O-N 2.8Å; E615-E618 PolarHBondContact O-N 3.33Å; E615-Y619 HydrophobicContact CB-CD2 4.05Å; E615-Y619 HydrophobicContact CB-CE2 4.34Å; E615-Y619 HydrophobicContact CG-CE2 4.48Å; E615-Y619 VanDerWaalsContact O-CD2 3.32Å; E615-Y619 WeakPolarHBondContact O-CD2 3.29Å; E615-Y619 PolarHBondContact O-N 3.02Å
616	K	78.6	Confident	84	Confident	63 Å²	63	67.3 Å²	67.3	27%	0.274	34%	0.342	S	S	.	.	H	α-helix	trans	-67.8	-27.5	179.9	-172.9	61.9	-172	157.6	0	112.5	I611 S612 K613 G614 Y619 S620 V622	I611-K616 HydrophobicContact CD1-CB 4.29Å; I611-K616 HydrophobicContact CD1-CD 3.29Å; I611-K616 HydrophobicContact CD1-CG 4.39Å; S612-K616 PolarHBondContact O-N 2.81Å; K613-K616 WeakPolarHBondContact O-CB 3.41Å; K613-K616 PolarHBondContact O-N 2.74Å; G614-K616 PolarHBondContact O-N 3.21Å; K616-Y619 CarbonylContact O-C 3.6Å; K616-S620 PolarHBondContact NZ-O 2.85Å; K616-S620 WeakPolarHBondContact O-CA 3.06Å; K616-S620 PolarHBondContact O-N 3.33Å; K616-V622 PolarHBondContact NZ-O 3.35Å
617	E	77.7	Confident	84.1	Confident	176 Å²	176	71.2 Å²	71.2	82%	0.822	36%	0.36	S	S	*	.	H	α-helix	trans	-68.9	-39.4	173.4	-67.6	178.1	-175	0	0	111.2	E615	E615-E617 PolarHBondContact O-N 2.8Å
618	E	77.2	Confident	84.2	Confident	136 Å²	136	70 Å²	70	64%	0.636	35%	0.354	S	S	*	.	H	α-helix	trans	-76.6	-34.9	179.4	-166.4	-179.1	159.3	0	0	112.4	E615	E615-E618 PolarHBondContact O-N 3.33Å
619	Y	83.6	Confident	84.2	Confident	43 Å²	43	69.6 Å²	69.6	17%	0.169	35%	0.353	C	S	.	.			trans	-121.8	62.1	-177.9	-49.2	-67.8	0	0	0	111.2	L568 I611 E615 K616 D621 V622	L568-Y619 HydrophobicContact CD1-CD1 3.42Å; L568-Y619 VanDerWaalsContact CD1-CD1 3.42Å; L568-Y619 HydrophobicContact CD1-CE1 3.84Å; L568-Y619 HydrophobicContact CD1-CG 3.88Å; L568-Y619 HydrophobicContact CD2-CD1 4.27Å; L568-Y619 HydrophobicContact CD2-CD2 4.01Å; L568-Y619 HydrophobicContact CD2-CE2 4.4Å; L568-Y619 HydrophobicContact CD2-CG 3.96Å; L568-Y619 HydrophobicContact CG-CD1 3.78Å; L568-Y619 HydrophobicContact CG-CD2 4.27Å; L568-Y619 HydrophobicContact CG-CE1 3.85Å; L568-Y619 HydrophobicContact CG-CE2 4.35Å; L568-Y619 HydrophobicContact CG-CG 4Å; I611-Y619 HydrophobicContact CG2-CD2 4.36Å; E615-Y619 HydrophobicContact CB-CD2 4.05Å; E615-Y619 HydrophobicContact CB-CE2 4.34Å; E615-Y619 HydrophobicContact CG-CE2 4.48Å; E615-Y619 VanDerWaalsContact O-CD2 3.32Å; E615-Y619 WeakPolarHBondContact O-CD2 3.29Å; E615-Y619 PolarHBondContact O-N 3.02Å; K616-Y619 CarbonylContact O-C 3.6Å; Y619-D621 VanDerWaalsContact C-N 3.26Å; Y619-D621 PolarHBondContact O-N 3.4Å; Y619-V622 PolarHBondContact O-N 3.09Å
620	S	78.8	Confident	84.2	Confident	76 Å²	76	69.6 Å²	69.6	53%	0.531	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-34.6	-177.8	54.6	0	0	0	0	113.2	K616 V622	K616-S620 PolarHBondContact NZ-O 2.85Å; K616-S620 WeakPolarHBondContact O-CA 3.06Å; K616-S620 PolarHBondContact O-N 3.33Å; S620-V622 VanDerWaalsContact C-N 3.31Å; S620-V622 PolarHBondContact O-N 2.87Å
621	D	80.1	Confident	84.1	Confident	144 Å²	144	66.8 Å²	66.8	77%	0.77	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-14.4	-177.5	-63.4	-28.7	0	0	0	114.2	Y619 Q623	Y619-D621 VanDerWaalsContact C-N 3.26Å; Y619-D621 PolarHBondContact O-N 3.4Å; D621-Q623 PolarHBondContact O-N 3.49Å
622	V	84	Confident	84.3	Confident	24 Å²	24	66 Å²	66	15%	0.145	35%	0.347	C	S	.	.			trans	-75.3	108.7	-178.9	174.2	0	0	0	0	110.4	L568 I611 K616 Y619 S620	L568-V622 HydrophobicContact CD1-CG2 3.92Å; L568-V622 HydrophobicContact CD2-CG2 4.1Å; I611-V622 HydrophobicContact CD1-CB 3.9Å; I611-V622 HydrophobicContact CD1-CG1 3.91Å; I611-V622 HydrophobicContact CG1-CG1 4.09Å; I611-V622 HydrophobicContact CG2-CG1 4.07Å; K616-V622 PolarHBondContact NZ-O 3.35Å; Y619-V622 PolarHBondContact O-N 3.09Å; S620-V622 VanDerWaalsContact C-N 3.31Å; S620-V622 PolarHBondContact O-N 2.87Å
623	Q	83.8	Confident	84.7	Confident	81 Å²	81	63.2 Å²	63.2	38%	0.379	33%	0.327	S	S	.	.			trans	-75.1	136.5	175.7	-66.3	-178.6	9.4	0	0	111.4	D621 H628	D621-Q623 PolarHBondContact O-N 3.49Å; Q623-H628 HydrophobicContact CB-CB 4.46Å; Q623-H628 PolarHBondContact OE1-ND1 3.4Å
624	K	88.5	Confident	85.2	Confident	69 Å²	69	59 Å²	59	30%	0.3	31%	0.306	S	S	.	.			trans	-74	145.5	171	-57.3	-164.1	-163.3	104.9	0	110.1	E626 E627 H628	K624-E626 VanDerWaalsContact C-N 3.3Å; K624-E626 PolarHBondContact O-N 3.31Å; K624-E627 HydrophobicContact CB-CB 4.25Å; K624-E627 HydrophobicContact CB-CG 4.11Å; K624-E627 IonicContact NZ-OE1 3.21Å; K624-E627 PolarHBondContact NZ-OE1 3.47Å; K624-E627 PolarHBondContact O-N 3.24Å; K624-E627 VanDerWaalsContact O-N 3.08Å; K624-H628 WeakPolarHBondContact O-CB 3.33Å; K624-H628 PolarHBondContact O-N 3.08Å
625	L	89.7	Confident	85.7	Confident	2 Å²	2	60.1 Å²	60.1	1%	0.01	30%	0.304	C	S	.	.	H	α-helix	trans	-47.5	-49.9	176.9	174.7	162	0	0	0	112.5	E576 P578 F608 H628 F629 M650	E576-L625 HydrophobicContact CB-CD1 3.76Å; P578-L625 HydrophobicContact CB-CD1 4.41Å; P578-L625 HydrophobicContact CG-CD1 3.85Å; P578-L625 HydrophobicContact CG-CG 4.37Å; F608-L625 HydrophobicContact CB-CB 3.84Å; F608-L625 HydrophobicContact CD1-CB 4.24Å; F608-L625 HydrophobicContact CD2-CB 3.73Å; F608-L625 HydrophobicContact CD2-CD1 3.9Å; F608-L625 HydrophobicContact CD2-CG 3.76Å; F608-L625 HydrophobicContact CE2-CB 4.39Å; F608-L625 HydrophobicContact CE2-CG 4.14Å; F608-L625 HydrophobicContact CG-CB 3.65Å; F608-L625 HydrophobicContact CG-CG 4.23Å; L625-H628 PolarHBondContact O-N 3Å; L625-F629 HydrophobicContact CD2-CD2 4.21Å; L625-F629 HydrophobicContact CG-CD2 4.22Å; L625-F629 HydrophobicContact CG-CE2 4.33Å; L625-F629 WeakPolarHBondContact O-CD2 3.27Å; L625-F629 PolarHBondContact O-N 2.83Å; L625-M650 HydrophobicContact CD1-CE 4.05Å; L625-M650 HydrophobicContact CD1-SD 3.94Å; L625-M650 HydrophobicContact CD2-CE 3.37Å; L625-M650 HydrophobicContact CD2-CG 4.21Å; L625-M650 HydrophobicContact CD2-SD 3.85Å; L625-M650 HydrophobicContact CG-CE 4.11Å
626	E	90.5	Very high	86.1	Confident	31 Å²	31	62.4 Å²	62.4	15%	0.145	32%	0.318	C	S	.	.	H	α-helix	trans	-70.5	-33	-178	61.6	-90.7	-150.7	0	0	113.9	K624 H630 A643 R647	K624-E626 VanDerWaalsContact C-N 3.3Å; K624-E626 PolarHBondContact O-N 3.31Å; E626-H630 WeakPolarHBondContact O-CB 3.45Å; E626-H630 PolarHBondContact O-N 3.39Å; E626-A643 HydrophobicContact CB-CB 4.34Å; E626-A643 WeakPolarHBondContact CB-O 3.35Å; E626-A643 HydrophobicContact CG-CB 4.3Å; E626-R647 HydrophobicContact CB-CB 3.96Å; E626-R647 HydrophobicContact CG-CB 4.15Å; E626-R647 IonicContact OE1-NE 3.96Å; E626-R647 IonicContact OE2-NE 3.62Å; E626-R647 IonicContact OE2-NH1 2.74Å
627	E	89.8	Confident	86.6	Confident	84 Å²	84	61.8 Å²	61.8	39%	0.393	32%	0.315	S	S	.	.	H	α-helix	trans	-71.2	-39.5	177.5	-69.5	167.1	-170.9	0	0	110	K624 G631	K624-E627 HydrophobicContact CB-CB 4.25Å; K624-E627 HydrophobicContact CB-CG 4.11Å; K624-E627 IonicContact NZ-OE1 3.21Å; K624-E627 PolarHBondContact NZ-OE1 3.47Å; K624-E627 PolarHBondContact O-N 3.24Å; K624-E627 VanDerWaalsContact O-N 3.08Å; E627-G631 PolarHBondContact O-N 2.71Å
628	H	89.4	Confident	87.2	Confident	8 Å²	8	57.1 Å²	57.1	4%	0.037	29%	0.292	C	S	.	.	H	α-helix	trans	-62.8	-55.9	176.7	-176.6	78.8	0	0	0	111.7	F608 Q623 K624 L625 H630 G631 L632 F699 Y701	F608-H628 HydrophobicContact CD1-CB 4.32Å; F608-H628 HydrophobicContact CE1-CB 3.53Å; F608-H628 AromaticContact CE1-CD2 3.56Å; F608-H628 AromaticContact CE1-CG 3.41Å; F608-H628 VanDerWaalsContact CE1-CG 3.41Å; F608-H628 HydrophobicContact CZ-CB 4.11Å; F608-H628 AromaticContact CZ-CD2 3.44Å; F608-H628 VanDerWaalsContact CZ-CD2 3.44Å; F608-H628 WeakPolarHBondContact CZ-CD2 3.35Å; F608-H628 AromaticContact CZ-CG 3.81Å; Q623-H628 HydrophobicContact CB-CB 4.46Å; Q623-H628 PolarHBondContact OE1-ND1 3.4Å; K624-H628 WeakPolarHBondContact O-CB 3.33Å; K624-H628 PolarHBondContact O-N 3.08Å; L625-H628 PolarHBondContact O-N 3Å; H628-H630 VanDerWaalsContact C-N 3.3Å; H628-H630 PolarHBondContact O-N 2.86Å; H628-G631 WeakPolarHBondContact O-CA 3.28Å; H628-G631 PolarHBondContact O-N 2.7Å; H628-L632 PolarHBondContact O-N 3.03Å; H628-F699 AromaticContact CE1-CD2 3.4Å; H628-F699 WeakPolarHBondContact CE1-CD2 3.3Å; H628-F699 AromaticContact CE1-CG 3.93Å; H628-F699 AromaticContact ND1-CD2 3.96Å; H628-Y701 AromaticContact NE2-CE2 3.31Å; H628-Y701 VanDerWaalsContact NE2-CE2 3.31Å; H628-Y701 WeakPolarHBondContact NE2-CE2 3.31Å; H628-Y701 AromaticContact NE2-CZ 3.78Å; H628-Y701 PolarHBondContact NE2-OH 3.16Å
629	F	90.5	Very high	87.7	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-64	-34.9	178.7	-81.6	-73.9	0	0	0	112.5	P578 V580 L591 P606 F608 L625 G631 L632 V633 L646 F687 L690	P578-F629 HydrophobicContact CG-CE2 3.65Å; P578-F629 HydrophobicContact CG-CZ 4.04Å; V580-F629 HydrophobicContact CG2-CZ 4.39Å; L591-F629 HydrophobicContact CD2-CE1 3.76Å; L591-F629 HydrophobicContact CD2-CZ 4.32Å; P606-F629 HydrophobicContact CB-CZ 4.16Å; P606-F629 HydrophobicContact CG-CZ 4.23Å; F608-F629 HydrophobicContact CE2-CD2 4.4Å; F608-F629 AromaticContact CE2-CE2 3.65Å; F608-F629 HydrophobicContact CE2-CE2 3.65Å; F608-F629 HydrophobicContact CE2-CZ 4.39Å; F608-F629 HydrophobicContact CZ-CD2 4.39Å; F608-F629 AromaticContact CZ-CE2 3.89Å; F608-F629 HydrophobicContact CZ-CE2 3.89Å; L625-F629 HydrophobicContact CD2-CD2 4.21Å; L625-F629 HydrophobicContact CG-CD2 4.22Å; L625-F629 HydrophobicContact CG-CE2 4.33Å; L625-F629 WeakPolarHBondContact O-CD2 3.27Å; L625-F629 PolarHBondContact O-N 2.83Å; F629-G631 VanDerWaalsContact C-N 3.27Å; F629-G631 PolarHBondContact O-N 3.35Å; F629-L632 HydrophobicContact CD1-CD1 4.26Å; F629-L632 WeakPolarHBondContact O-CB 3.49Å; F629-L632 PolarHBondContact O-N 3.03Å; F629-L632 VanDerWaalsContact O-N 3.1Å; F629-V633 WeakPolarHBondContact O-CG2 3.41Å; F629-V633 PolarHBondContact O-N 3.41Å; F629-L646 HydrophobicContact CB-CD1 3.98Å; F629-F687 HydrophobicContact CB-CE1 4.31Å; F629-F687 HydrophobicContact CD1-CD1 4.04Å; F629-F687 AromaticContact CD1-CE1 3.71Å; F629-F687 HydrophobicContact CD1-CE1 3.71Å; F629-F687 HydrophobicContact CD2-CE1 4.13Å; F629-F687 HydrophobicContact CE1-CD1 4.23Å; F629-F687 AromaticContact CE1-CE1 4Å; F629-F687 HydrophobicContact CE1-CE1 4Å; F629-F687 HydrophobicContact CE2-CE1 4.4Å; F629-F687 AromaticContact CG-CE1 3.78Å; F629-F687 HydrophobicContact CG-CE1 3.78Å; F629-F687 HydrophobicContact CZ-CE1 4.34Å; F629-L690 HydrophobicContact CD1-CD1 4Å; F629-L690 HydrophobicContact CD1-CD2 4.35Å; F629-L690 HydrophobicContact CE1-CD1 4.15Å
630	H	91.3	Very high	87.9	Confident	53 Å²	53	58.9 Å²	58.9	25%	0.245	31%	0.314	C	S	.	.	H	α-helix	trans	-61.6	-36.4	172.2	176.8	-115.3	0	0	0	112.5	E626 H628 L632 V633 C641 A643 L646	E626-H630 WeakPolarHBondContact O-CB 3.45Å; E626-H630 PolarHBondContact O-N 3.39Å; H628-H630 VanDerWaalsContact C-N 3.3Å; H628-H630 PolarHBondContact O-N 2.86Å; H630-L632 PolarHBondContact O-N 2.85Å; H630-V633 PolarHBondContact O-N 3.21Å; H630-C641 PolarHBondContact CD2-O 3.34Å; H630-A643 HydrophobicContact CB-CB 3.96Å; H630-L646 HydrophobicContact CB-CD1 3.99Å
631	G	88.7	Confident	88.5	Confident	30 Å²	30	55.4 Å²	55.4	31%	0.309	29%	0.29	S	S	.	.	H	α-helix	trans	-59.7	-35.6	172.5	0	0	0	0	0	112.9	E627 H628 F629	E627-G631 PolarHBondContact O-N 2.71Å; H628-G631 WeakPolarHBondContact O-CA 3.28Å; H628-G631 PolarHBondContact O-N 2.7Å; F629-G631 VanDerWaalsContact C-N 3.27Å; F629-G631 PolarHBondContact O-N 3.35Å
632	L	89.5	Confident	89	Confident	4 Å²	4	51.2 Å²	51.2	2%	0.021	27%	0.272	C	S	.	.	H	α-helix	trans	-81.5	-12.1	179.3	-61.7	177.9	0	0	0	114.1	H628 F629 H630 R634 L690 E691 Y695 Y701	H628-L632 PolarHBondContact O-N 3.03Å; F629-L632 HydrophobicContact CD1-CD1 4.26Å; F629-L632 WeakPolarHBondContact O-CB 3.49Å; F629-L632 PolarHBondContact O-N 3.03Å; F629-L632 VanDerWaalsContact O-N 3.1Å; H630-L632 PolarHBondContact O-N 2.85Å; L632-R634 PolarHBondContact O-N 2.83Å; L632-L690 HydrophobicContact CB-CD2 4Å; L632-L690 CarbonylContact O-C 3.52Å; L632-L690 WeakPolarHBondContact O-CA 3.43Å; L632-E691 PolarHBondContact O-N 2.84Å; L632-Y695 WeakPolarHBondContact CD2-O 3.39Å; L632-Y701 HydrophobicContact CD1-CD2 3.78Å; L632-Y701 HydrophobicContact CD1-CE2 3.73Å
633	V	90.8	Very high	89.3	Confident	2 Å²	2	51.2 Å²	51.2	1%	0.012	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-66.8	133.1	178	179	0	0	0	0	110.1	F629 H630 K637 C641 L646 L690	F629-V633 WeakPolarHBondContact O-CG2 3.41Å; F629-V633 PolarHBondContact O-N 3.41Å; H630-V633 PolarHBondContact O-N 3.21Å; V633-K637 HydrophobicContact CG1-CB 3.93Å; V633-C641 HydrophobicContact CG1-CB 3.84Å; V633-C641 HydrophobicContact CG2-CB 4.07Å; V633-L646 HydrophobicContact CG2-CD1 4.38Å; V633-L690 HydrophobicContact CG2-CD2 4.16Å
634	R	88.8	Confident	89.6	Confident	114 Å²	114	55.4 Å²	55.4	43%	0.43	29%	0.291	S	S	.	.			trans	-51.6	143.6	175	-71.3	168.3	48.6	154.7	-2.4	111.7	L632 D636 K637 K638 H689 E691	L632-R634 PolarHBondContact O-N 2.83Å; R634-D636 VanDerWaalsContact C-N 3.26Å; R634-D636 WeakPolarHBondContact CB-OD1 3.36Å; R634-D636 IonicContact CZ-OD1 2.82Å; R634-D636 IonicContact CZ-OD2 3.88Å; R634-D636 IonicContact NE-OD1 3.03Å; R634-D636 PolarHBondContact NE-OD1 3.42Å; R634-D636 IonicContact NE-OD2 3.06Å; R634-D636 IonicContact NH2-OD1 3.99Å; R634-D636 PolarHBondContact NH2-OD1 2.84Å; R634-D636 IonicContact NH2-OD2 2.71Å; R634-D636 PolarHBondContact NH2-OD2 3.23Å; R634-D636 PolarHBondContact O-N 3.46Å; R634-K637 PolarHBondContact O-N 2.73Å; R634-K638 PolarHBondContact O-N 3.1Å; R634-K638 VanDerWaalsContact O-N 3.14Å; R634-H689 WeakPolarHBondContact CG-O 3.47Å; R634-H689 PolarHBondContact N-O 2.99Å; R634-E691 HydrophobicContact CG-CB 3.91Å; R634-E691 HydrophobicContact CG-CG 4.5Å
635	S	87.3	Confident	89.5	Confident	81 Å²	81	56.1 Å²	56.1	57%	0.566	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-58.4	-34.7	-174.1	-62.3	0	0	0	0	113.7	K637	S635-K637 VanDerWaalsContact C-N 3.3Å; S635-K637 PolarHBondContact O-N 3.21Å
636	D	89.5	Confident	89.5	Confident	90 Å²	90	56 Å²	56	48%	0.481	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-71.1	-21.4	177.5	61.7	-40.8	0	0	0	113.8	R634	R634-D636 VanDerWaalsContact C-N 3.26Å; R634-D636 WeakPolarHBondContact CB-OD1 3.36Å; R634-D636 IonicContact CZ-OD1 2.82Å; R634-D636 IonicContact CZ-OD2 3.88Å; R634-D636 IonicContact NE-OD1 3.03Å; R634-D636 PolarHBondContact NE-OD1 3.42Å; R634-D636 IonicContact NE-OD2 3.06Å; R634-D636 IonicContact NH2-OD1 3.99Å; R634-D636 PolarHBondContact NH2-OD1 2.84Å; R634-D636 IonicContact NH2-OD2 2.71Å; R634-D636 PolarHBondContact NH2-OD2 3.23Å; R634-D636 PolarHBondContact O-N 3.46Å
637	K	89.8	Confident	89.4	Confident	49 Å²	49	56.3 Å²	56.3	21%	0.213	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-106	0.2	179.7	-67.4	-58.2	-169.3	178	0	114.2	V633 R634 S635 S639 E640 C641 H689	V633-K637 HydrophobicContact CG1-CB 3.93Å; R634-K637 PolarHBondContact O-N 2.73Å; S635-K637 VanDerWaalsContact C-N 3.3Å; S635-K637 PolarHBondContact O-N 3.21Å; K637-S639 VanDerWaalsContact C-N 3.34Å; K637-S639 PolarHBondContact O-N 2.86Å; K637-E640 WeakPolarHBondContact CD-OE2 3.31Å; K637-E640 IonicContact NZ-OE1 3.94Å; K637-E640 PolarHBondContact NZ-OE1 3.29Å; K637-E640 IonicContact NZ-OE2 2.96Å; K637-E640 PolarHBondContact NZ-OE2 2.57Å; K637-E640 PolarHBondContact O-N 3.3Å; K637-E640 VanDerWaalsContact O-N 3.15Å; K637-C641 WeakPolarHBondContact O-CB 3.44Å; K637-C641 PolarHBondContact O-N 3.46Å; K637-C641 VanDerWaalsContact O-N 3.12Å; K637-H689 HydrophobicContact CB-CB 4.05Å; K637-H689 HydrophobicContact CG-CB 4.03Å
638	K	88.9	Confident	89.1	Confident	79 Å²	79	55 Å²	55	34%	0.343	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-34.5	-174.2	-153.9	151.9	-170.4	155.1	0	113.5	R634	R634-K638 PolarHBondContact O-N 3.1Å; R634-K638 VanDerWaalsContact O-N 3.14Å
639	S	88.2	Confident	88.7	Confident	113 Å²	113	55.6 Å²	55.6	79%	0.79	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-33.3	175.1	54.1	0	0	0	0	113.1	K637	K637-S639 VanDerWaalsContact C-N 3.34Å; K637-S639 PolarHBondContact O-N 2.86Å
640	E	88.9	Confident	88.2	Confident	103 Å²	103	55.9 Å²	55.9	48%	0.481	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-21.5	179.7	-64.7	174.1	-150.1	0	0	113	K637 K645	K637-E640 WeakPolarHBondContact CD-OE2 3.31Å; K637-E640 IonicContact NZ-OE1 3.94Å; K637-E640 PolarHBondContact NZ-OE1 3.29Å; K637-E640 IonicContact NZ-OE2 2.96Å; K637-E640 PolarHBondContact NZ-OE2 2.57Å; K637-E640 PolarHBondContact O-N 3.3Å; K637-E640 VanDerWaalsContact O-N 3.15Å; E640-K645 WeakPolarHBondContact O-CD 3.43Å; E640-K645 PolarHBondContact O-NZ 3.16Å; E640-K645 VanDerWaalsContact O-NZ 3.17Å
641	C	91.4	Very high	87.1	Confident	2 Å²	2	60.7 Å²	60.7	1%	0.014	32%	0.321	C	S	.	.			trans	-121.1	79.7	-170.3	-70.7	0	0	0	0	111.7	H630 V633 K637 C686	H630-C641 PolarHBondContact CD2-O 3.34Å; V633-C641 HydrophobicContact CG1-CB 3.84Å; V633-C641 HydrophobicContact CG2-CB 4.07Å; K637-C641 WeakPolarHBondContact O-CB 3.44Å; K637-C641 PolarHBondContact O-N 3.46Å; K637-C641 VanDerWaalsContact O-N 3.12Å; C641-C686 WeakPolarHBondContact CA-SG 3.36Å; C641-C686 HydrophobicContact CB-CB 3.74Å; C641-C686 WeakPolarHBondContact CB-SG 3.46Å; C641-C686 WeakPolarHBondContact SG-CA 3.39Å; C641-C686 WeakPolarHBondContact SG-CB 3.42Å; C641-C686 CovalentContact SG-SG 2.03Å; C641-C686 PolarHBondContact SG-SG 3.36Å
642	S	90.5	Very high	85.5	Confident	56 Å²	56	65.7 Å²	65.7	39%	0.392	34%	0.34	S	S	.	.			trans	-76.4	153	175.6	67.5	0	0	0	0	112.8	K644 K645 L646	S642-K644 PolarHBondContact O-N 3.43Å; S642-K645 WeakPolarHBondContact O-CA 3.42Å; S642-K645 WeakPolarHBondContact O-CB 3.44Å; S642-K645 PolarHBondContact O-N 3.49Å; S642-K645 PolarHBondContact OG-N 3.06Å; S642-L646 PolarHBondContact O-N 3.02Å; S642-L646 VanDerWaalsContact O-N 3.1Å
643	A	90.1	Very high	83.7	Confident	25 Å²	25	74.9 Å²	74.9	21%	0.207	37%	0.374	C	S	.	.	H	α-helix	trans	-53.7	-36.2	171	0	0	0	0	0	112.4	E626 H630 K645 L646 R647	E626-A643 HydrophobicContact CB-CB 4.34Å; E626-A643 WeakPolarHBondContact CB-O 3.35Å; E626-A643 HydrophobicContact CG-CB 4.3Å; H630-A643 HydrophobicContact CB-CB 3.96Å; A643-K645 VanDerWaalsContact C-N 3.34Å; A643-K645 PolarHBondContact O-N 3.03Å; A643-L646 PolarHBondContact O-N 2.77Å; A643-R647 WeakPolarHBondContact O-CB 3.32Å; A643-R647 PolarHBondContact O-N 3.48Å
644	K	89.2	Confident	82.1	Confident	168 Å²	168	84.1 Å²	84.1	73%	0.73	41%	0.409	S	S	*	.	H	α-helix	trans	-63.9	-37.4	175.3	-172.1	179.5	178.5	-176.8	0	112.4	S642 R647 S648	S642-K644 PolarHBondContact O-N 3.43Å; K644-R647 PolarHBondContact O-N 3.09Å; K644-S648 WeakPolarHBondContact O-CB 3.16Å; K644-S648 PolarHBondContact O-N 2.97Å; K644-S648 PolarHBondContact O-OG 3.29Å
645	K	87.6	Confident	81.3	Confident	84 Å²	84	85.9 Å²	85.9	37%	0.365	42%	0.415	S	S	.	.	H	α-helix	trans	-66.3	-49.4	176.5	-170.9	-177.3	179.3	-168.3	0	110.9	E640 S642 A643 R647 S648 S649 E684	E640-K645 WeakPolarHBondContact O-CD 3.43Å; E640-K645 PolarHBondContact O-NZ 3.16Å; E640-K645 VanDerWaalsContact O-NZ 3.17Å; S642-K645 WeakPolarHBondContact O-CA 3.42Å; S642-K645 WeakPolarHBondContact O-CB 3.44Å; S642-K645 PolarHBondContact O-N 3.49Å; S642-K645 PolarHBondContact OG-N 3.06Å; A643-K645 VanDerWaalsContact C-N 3.34Å; A643-K645 PolarHBondContact O-N 3.03Å; K645-R647 VanDerWaalsContact C-N 3.3Å; K645-R647 PolarHBondContact O-N 3.23Å; K645-S648 WeakPolarHBondContact O-CB 3.42Å; K645-S648 PolarHBondContact O-N 3.49Å; K645-S649 PolarHBondContact O-N 3.39Å; K645-E684 WeakPolarHBondContact CE-OE1 3.37Å; K645-E684 IonicContact NZ-OE1 3.01Å
646	L	89.5	Confident	80.7	Confident	1 Å²	1	86.5 Å²	86.5	1%	0.005	41%	0.412	C	S	.	.	H	α-helix	trans	-57.4	-39.7	173.3	-69.7	168.1	0	0	0	112.5	F629 H630 V633 S642 A643 S648 S649 M650 C686 F687	F629-L646 HydrophobicContact CB-CD1 3.98Å; H630-L646 HydrophobicContact CB-CD1 3.99Å; V633-L646 HydrophobicContact CG2-CD1 4.38Å; S642-L646 PolarHBondContact O-N 3.02Å; S642-L646 VanDerWaalsContact O-N 3.1Å; A643-L646 PolarHBondContact O-N 2.77Å; L646-S648 VanDerWaalsContact C-N 3.32Å; L646-S648 PolarHBondContact O-N 2.89Å; L646-S649 PolarHBondContact O-OG 3Å; L646-M650 WeakPolarHBondContact O-CG 3.49Å; L646-M650 PolarHBondContact O-N 2.69Å; L646-C686 HydrophobicContact CD2-CB 3.69Å; L646-C686 HydrophobicContact CG-CB 4.46Å; L646-F687 HydrophobicContact CD2-CD2 4.05Å; L646-F687 HydrophobicContact CD2-CE1 4.2Å; L646-F687 HydrophobicContact CD2-CE2 3.59Å; L646-F687 HydrophobicContact CD2-CZ 3.66Å
647	R	88.5	Confident	80.2	Confident	37 Å²	37	86.4 Å²	86.4	14%	0.14	41%	0.407	C	S	.	.	H	α-helix	trans	-65.6	-36.3	174.8	-174.8	55.1	168.7	173.9	-2.7	112.6	E576 E626 A643 K644 K645 K651	E576-R647 IonicContact OE1-CZ 2.71Å; E576-R647 IonicContact OE1-NH1 3.96Å; E576-R647 PolarHBondContact OE1-NH1 2.62Å; E576-R647 VanDerWaalsContact OE1-NH1 3.1Å; E576-R647 IonicContact OE1-NH2 3.92Å; E576-R647 PolarHBondContact OE1-NH2 3.35Å; E576-R647 IonicContact OE2-CZ 2.81Å; E576-R647 IonicContact OE2-NH1 2.72Å; E576-R647 PolarHBondContact OE2-NH1 3.16Å; E576-R647 IonicContact OE2-NH2 2.62Å; E576-R647 PolarHBondContact OE2-NH2 3.48Å; E626-R647 HydrophobicContact CB-CB 3.96Å; E626-R647 HydrophobicContact CG-CB 4.15Å; E626-R647 IonicContact OE1-NE 3.96Å; E626-R647 IonicContact OE2-NE 3.62Å; E626-R647 IonicContact OE2-NH1 2.74Å; A643-R647 WeakPolarHBondContact O-CB 3.32Å; A643-R647 PolarHBondContact O-N 3.48Å; K644-R647 PolarHBondContact O-N 3.09Å; K645-R647 VanDerWaalsContact C-N 3.3Å; K645-R647 PolarHBondContact O-N 3.23Å; R647-K651 PolarHBondContact O-N 2.82Å
648	S	83.5	Confident	80	Confident	55 Å²	55	86 Å²	86	39%	0.385	41%	0.411	S	S	.	.	H	α-helix	trans	-72	-38.2	-178.4	-58.1	0	0	0	0	111.5	K644 K645 L646 M650 K651 L652	K644-S648 WeakPolarHBondContact O-CB 3.16Å; K644-S648 PolarHBondContact O-N 2.97Å; K644-S648 PolarHBondContact O-OG 3.29Å; K645-S648 WeakPolarHBondContact O-CB 3.42Å; K645-S648 PolarHBondContact O-N 3.49Å; L646-S648 VanDerWaalsContact C-N 3.32Å; L646-S648 PolarHBondContact O-N 2.89Å; S648-M650 VanDerWaalsContact C-N 3.3Å; S648-M650 PolarHBondContact O-N 3.09Å; S648-K651 PolarHBondContact O-N 3.38Å; S648-K651 VanDerWaalsContact O-N 3.08Å; S648-L652 WeakPolarHBondContact O-CB 3.49Å; S648-L652 PolarHBondContact O-N 2.96Å
649	S	80.9	Confident	79.9	Confident	22 Å²	22	83.3 Å²	83.3	15%	0.154	41%	0.405	C	S	.	.	H	α-helix	trans	-62	-36.5	176.5	64.6	0	0	0	0	112.6	K645 L646 K651 L652	K645-S649 PolarHBondContact O-N 3.39Å; L646-S649 PolarHBondContact O-OG 3Å; S649-K651 VanDerWaalsContact C-N 3.33Å; S649-K651 PolarHBondContact O-N 2.75Å; S649-L652 PolarHBondContact O-N 3.03Å
650	M	78.2	Confident	80	Confident	5 Å²	5	79.9 Å²	79.9	3%	0.025	38%	0.375	C	S	.	.	H	α-helix	trans	-65.7	-32	173.6	-61	-104.8	177.5	0	0	113.2	P578 L625 L646 S648 Y677 V679 F687	P578-M650 HydrophobicContact CB-CE 3.36Å; P578-M650 HydrophobicContact CB-SD 3.73Å; P578-M650 HydrophobicContact CG-CE 3.92Å; L625-M650 HydrophobicContact CD1-CE 4.05Å; L625-M650 HydrophobicContact CD1-SD 3.94Å; L625-M650 HydrophobicContact CD2-CE 3.37Å; L625-M650 HydrophobicContact CD2-CG 4.21Å; L625-M650 HydrophobicContact CD2-SD 3.85Å; L625-M650 HydrophobicContact CG-CE 4.11Å; L646-M650 WeakPolarHBondContact O-CG 3.49Å; L646-M650 PolarHBondContact O-N 2.69Å; S648-M650 VanDerWaalsContact C-N 3.3Å; S648-M650 PolarHBondContact O-N 3.09Å; M650-Y677 HydrophobicContact CB-CD1 4.31Å; M650-Y677 HydrophobicContact CB-CG 4.39Å; M650-Y677 WeakPolarHBondContact O-CD1 3.5Å; M650-Y677 WeakPolarHBondContact O-CE1 3.27Å; M650-Y677 HydrophobicContact SD-CD2 3.91Å; M650-Y677 HydrophobicContact SD-CG 4.01Å; M650-V679 HydrophobicContact CE-CG2 4.26Å; M650-V679 HydrophobicContact SD-CG2 4.07Å; M650-F687 HydrophobicContact CE-CE1 4.02Å; M650-F687 HydrophobicContact CE-CE2 4.45Å; M650-F687 HydrophobicContact CE-CZ 3.47Å; M650-F687 VanDerWaalsContact CE-CZ 3.47Å
651	K	69	Low	79.9	Confident	154 Å²	154	77.3 Å²	77.3	67%	0.67	36%	0.364	S	S	*	.	H	α-helix	trans	-80	-24.4	176.8	-70.9	-178.4	179.5	-177.2	0	112.6	R647 S648 S649	R647-K651 PolarHBondContact O-N 2.82Å; S648-K651 PolarHBondContact O-N 3.38Å; S648-K651 VanDerWaalsContact O-N 3.08Å; S649-K651 VanDerWaalsContact C-N 3.33Å; S649-K651 PolarHBondContact O-N 2.75Å
652	L	54.9	Low	79.5	Confident	135 Å²	135	83.8 Å²	83.8	71%	0.707	40%	0.399	S	S	*	.	H	α-helix	trans	-71.8	-41.4	-161.7	-148.5	73.3	0	0	0	113	S648 S649	S648-L652 WeakPolarHBondContact O-CB 3.49Å; S648-L652 PolarHBondContact O-N 2.96Å; S649-L652 PolarHBondContact O-N 3.03Å
653	R	51.9	Low	79.4	Confident	197 Å²	197	81.4 Å²	81.4	74%	0.743	38%	0.382	S	S	*	.	S	Bend	trans	-156.3	155.6	-176.3	-67	-168	174.8	179.3	-2.9	114.7
654	R	58.2	Low	79.2	Confident	196 Å²	196	83.1 Å²	83.1	74%	0.74	39%	0.391	S	S	*	.			trans	40.3	76.4	176.4	-105.4	-175.6	178.8	173.2	-0	116.4	L656 L678	R654-L656 PolarHBondContact O-N 2.74Å; R654-L678 PolarHBondContact O-N 3.16Å
655	R	70.4	Confident	79.2	Confident	152 Å²	152	75.3 Å²	75.3	57%	0.574	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.9	118	156.1	-168.1	-177.8	-51.1	-175.1	7.3	108.4	S658 T675	R655-S658 PolarHBondContact NH1-OG 2.8Å; R655-T675 HydrophobicContact CG-CG2 3.84Å
656	L	75.9	Confident	79.4	Confident	93 Å²	93	71.4 Å²	71.4	49%	0.487	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	-36.8	-179.7	-65.3	-177.7	0	0	0	111.7	I579 R654 V676 L678	I579-L656 HydrophobicContact CD1-CD1 4.14Å; R654-L656 PolarHBondContact O-N 2.74Å; L656-V676 HydrophobicContact CB-CB 4.41Å; L656-V676 HydrophobicContact CB-CG1 4.27Å; L656-V676 HydrophobicContact CD1-CG1 4.35Å; L656-V676 PolarHBondContact N-O 3.49Å; L656-L678 HydrophobicContact CD1-CB 3.89Å; L656-L678 HydrophobicContact CD2-CB 4.3Å; L656-L678 HydrophobicContact CD2-CD2 4.48Å; L656-L678 HydrophobicContact CG-CB 3.97Å
657	F	79	Confident	79.5	Confident	88 Å²	88	71.4 Å²	71.4	39%	0.386	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	147.9	-174.3	179.1	-97.9	0	0	0	110.9	G659 Y660 A674 T675 V676	F657-G659 WeakPolarHBondContact CE1-O 3.29Å; F657-Y660 WeakPolarHBondContact CZ-O 3.47Å; F657-A674 HydrophobicContact CD1-CB 4.48Å; F657-A674 HydrophobicContact CE1-CB 4.4Å; F657-T675 WeakPolarHBondContact O-CA 3.34Å; F657-V676 HydrophobicContact CB-CB 3.94Å; F657-V676 HydrophobicContact CB-CG2 3.84Å; F657-V676 HydrophobicContact CD1-CG2 4.05Å; F657-V676 HydrophobicContact CG-CG2 4.39Å; F657-V676 PolarHBondContact O-N 2.8Å
658	S	84.5	Confident	79.8	Confident	42 Å²	42	69.8 Å²	69.8	29%	0.294	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	89.3	-178.6	-172.1	0	0	0	0	109.7	K93 R655 A674	K93-S658 PolarHBondContact NZ-OG 3.34Å; R655-S658 PolarHBondContact NH1-OG 2.8Å; S658-A674 VanDerWaalsContact CA-O 3.28Å; S658-A674 WeakPolarHBondContact CA-O 3.3Å
659	G	87.6	Confident	80.3	Confident	22 Å²	22	67.7 Å²	67.7	23%	0.227	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.9	-163	-175.3	0	0	0	0	0	111.9	F657 T673 A674	F657-G659 WeakPolarHBondContact CE1-O 3.29Å; G659-T673 CarbonylContact O-C 3.57Å; G659-T673 VanDerWaalsContact O-CA 3.23Å; G659-T673 WeakPolarHBondContact O-CA 3.34Å; G659-A674 PolarHBondContact N-O 3.04Å; G659-A674 PolarHBondContact O-N 3.02Å
660	Y	89.9	Confident	80.9	Confident	41 Å²	41	66.7 Å²	66.7	16%	0.161	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	130.6	175.9	-176.3	-87.1	0	0	0	111.5	N554 P555 E556 F657 D662 T666 W671	N554-Y660 PolarHBondContact ND2-OH 2.9Å; N554-Y660 VanDerWaalsContact OD1-CE2 3.23Å; N554-Y660 WeakPolarHBondContact OD1-CE2 3.46Å; P555-Y660 HydrophobicContact CG-CD2 4.26Å; P555-Y660 HydrophobicContact CG-CE2 4.48Å; E556-Y660 HydrophobicContact CB-CD2 4.44Å; E556-Y660 HydrophobicContact CB-CE1 4.11Å; E556-Y660 HydrophobicContact CB-CE2 3.94Å; E556-Y660 HydrophobicContact CG-CD1 3.58Å; E556-Y660 HydrophobicContact CG-CD2 3.51Å; E556-Y660 HydrophobicContact CG-CE1 3.58Å; E556-Y660 HydrophobicContact CG-CE2 3.5Å; E556-Y660 VanDerWaalsContact CG-CE2 3.5Å; E556-Y660 HydrophobicContact CG-CG 3.53Å; F657-Y660 WeakPolarHBondContact CZ-O 3.47Å; Y660-D662 HydrophobicContact CE1-CB 4.28Å; Y660-T666 WeakPolarHBondContact OH-CG2 3.28Å; Y660-W671 HydrophobicContact CD2-CB 4.41Å; Y660-W671 AromaticContact CD2-CD1 3.95Å; Y660-W671 HydrophobicContact CD2-CG 4.44Å; Y660-W671 HydrophobicContact CE2-CB 3.64Å; Y660-W671 HydrophobicContact CE2-CG 4.04Å
661	L	87.2	Confident	81.7	Confident	48 Å²	48	68 Å²	68	25%	0.251	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	122.5	173.8	-178	69.1	0	0	0	108.5	I577 H663 V672 A674	I577-L661 HydrophobicContact CD1-CD2 3.99Å; L661-H663 PolarHBondContact O-N 3.46Å; L661-V672 HydrophobicContact CB-CB 4.34Å; L661-V672 HydrophobicContact CB-CG1 3.98Å; L661-V672 HydrophobicContact CD2-CG1 4.09Å; L661-V672 PolarHBondContact N-O 2.79Å; L661-A674 HydrophobicContact CB-CB 3.78Å; L661-A674 HydrophobicContact CD2-CB 3.77Å; L661-A674 HydrophobicContact CG-CB 4.25Å
662	D	83.6	Confident	83	Confident	138 Å²	138	60.7 Å²	60.7	74%	0.738	29%	0.285	S	S	*	.			trans	-70.6	75.2	173.7	-169.4	19.9	0	0	0	110.7	Y660	Y660-D662 HydrophobicContact CE1-CB 4.28Å
663	H	88.8	Confident	84.9	Confident	6 Å²	6	55.5 Å²	55.5	3%	0.028	26%	0.258	C	S	.	.			trans	-82.1	140.1	-176.8	-173	-86.7	0	0	0	110.3	G601 L661 H665 T666 V672	G601-H663 PolarHBondContact O-NE2 3.06Å; G601-H663 VanDerWaalsContact O-NE2 3.15Å; L661-H663 PolarHBondContact O-N 3.46Å; H663-H665 AromaticContact CE1-CG 3.8Å; H663-H665 AromaticContact CE1-ND1 3.73Å; H663-H665 WeakPolarHBondContact ND1-CB 3.33Å; H663-H665 AromaticContact ND1-CG 3.99Å; H663-H665 PolarHBondContact ND1-N 3.29Å; H663-H665 PolarHBondContact O-N 3.27Å; H663-T666 VanDerWaalsContact O-CB 3.26Å; H663-T666 WeakPolarHBondContact O-CB 3.37Å; H663-T666 PolarHBondContact O-N 3.47Å; H663-T666 PolarHBondContact O-OG1 3.25Å; H663-V672 HydrophobicContact CB-CB 3.82Å; H663-V672 HydrophobicContact CB-CG2 3.56Å
664	P	84.5	Confident	86.8	Confident	62 Å²	62	46.1 Å²	46.1	40%	0.403	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-32	-177.8	20.3	-33.3	0	0	0	112.8	R512	R512-P664 VanDerWaalsContact CZ-O 3.29Å; R512-P664 PolarHBondContact NH1-O 3.3Å; R512-P664 PolarHBondContact NH2-O 3.15Å
665	H	89.2	Confident	88.4	Confident	4 Å²	4	38 Å²	38	2%	0.019	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	3.4	179.9	-58.2	162.3	0	0	0	115.7	Y505 L566 L567 E599 G601 H663	Y505-H665 HydrophobicContact CE2-CB 4.45Å; Y505-H665 PolarHBondContact OH-O 3.15Å; L566-H665 HydrophobicContact CB-CB 4.12Å; L566-H665 WeakPolarHBondContact CD1-NE2 3.22Å; L567-H665 HydrophobicContact CD2-CB 3.95Å; L567-H665 HydrophobicContact CG-CB 4.06Å; E599-H665 PolarHBondContact O-CE1 2.83Å; E599-H665 VanDerWaalsContact O-CE1 3.29Å; G601-H665 WeakPolarHBondContact CA-CE1 3.48Å; G601-H665 PolarHBondContact N-CE1 3.08Å; H663-H665 AromaticContact CE1-CG 3.8Å; H663-H665 AromaticContact CE1-ND1 3.73Å; H663-H665 WeakPolarHBondContact ND1-CB 3.33Å; H663-H665 AromaticContact ND1-CG 3.99Å; H663-H665 PolarHBondContact ND1-N 3.29Å; H663-H665 PolarHBondContact O-N 3.27Å
666	T	91.9	Very high	89.3	Confident	2 Å²	2	31.6 Å²	31.6	1%	0.012	17%	0.173	C	C	.	.			trans	-62.7	139.4	173.6	-59.6	0	0	0	0	110.7	N554 T559 Y660 H663 A670 W671	N554-T666 WeakPolarHBondContact ND2-CG2 3.4Å; T559-T666 HydrophobicContact CG2-CG2 4.12Å; Y660-T666 WeakPolarHBondContact OH-CG2 3.28Å; H663-T666 VanDerWaalsContact O-CB 3.26Å; H663-T666 WeakPolarHBondContact O-CB 3.37Å; H663-T666 PolarHBondContact O-N 3.47Å; H663-T666 PolarHBondContact O-OG1 3.25Å; T666-A670 WeakPolarHBondContact CA-O 3.2Å; T666-W671 HydrophobicContact CG2-CB 3.69Å
667	T	93	Very high	89.9	Confident	0 Å²	0	28 Å²	28	0%	0	15%	0.153	C	C	.	.			trans	-127.1	-179	179.5	71.5	0	0	0	0	109.5	Y505 N554 T559 I561 G563 N669 A670	Y505-T667 HydrophobicContact CE2-CG2 3.94Å; N554-T667 WeakPolarHBondContact CB-O 3.39Å; N554-T667 PolarHBondContact ND2-O 2.84Å; N554-T667 VanDerWaalsContact ND2-O 3.1Å; T559-T667 WeakPolarHBondContact CG2-O 3.3Å; T559-T667 VanDerWaalsContact OG1-CA 3.27Å; T559-T667 WeakPolarHBondContact OG1-CA 3.48Å; I561-T667 HydrophobicContact CG2-CG2 3.93Å; I561-T667 CarbonylContact O-C 3.49Å; I561-T667 WeakPolarHBondContact O-CA 3.04Å; I561-T667 WeakPolarHBondContact O-CB 3.44Å; G563-T667 VanDerWaalsContact O-CB 3.31Å; G563-T667 WeakPolarHBondContact O-CB 3.42Å; G563-T667 PolarHBondContact O-OG1 2.94Å; T667-N669 PolarHBondContact O-N 2.72Å; T667-N669 VanDerWaalsContact O-N 3.16Å; T667-N669 PolarHBondContact OG1-N 3.46Å; T667-A670 PolarHBondContact N-O 3.05Å; T667-A670 PolarHBondContact OG1-N 3.05Å; T667-A670 PolarHBondContact OG1-O 2.86Å
668	D	93.5	Very high	90.2	Very high	4 Å²	4	26.2 Å²	26.2	2%	0.021	15%	0.147	C	C	.	.	S	Bend	trans	-61.2	-20	171.5	-72.9	8.9	0	0	0	112.6	W522 Y529 K553 N554 T559 G560 I561 A562	W522-D668 HydrophobicContact CH2-CB 3.84Å; W522-D668 HydrophobicContact CZ2-CB 4.13Å; Y529-D668 WeakPolarHBondContact CE1-OD2 3.28Å; Y529-D668 VanDerWaalsContact OH-CG 3.27Å; Y529-D668 PolarHBondContact OH-OD1 2.88Å; Y529-D668 VanDerWaalsContact OH-OD1 3.1Å; Y529-D668 PolarHBondContact OH-OD2 3.24Å; K553-D668 CarbonylContact C-O 3.5Å; K553-D668 WeakPolarHBondContact CA-O 3.5Å; N554-D668 PolarHBondContact N-O 2.83Å; T559-D668 PolarHBondContact N-OD1 2.78Å; T559-D668 PolarHBondContact OG1-N 3.48Å; T559-D668 PolarHBondContact OG1-OD1 2.93Å; G560-D668 PolarHBondContact N-OD1 2.99Å; I561-D668 WeakPolarHBondContact O-CB 3.07Å; I561-D668 PolarHBondContact O-N 3.44Å; A562-D668 HydrophobicContact CB-CB 4.35Å
669	N	93.4	Very high	90.3	Very high	11 Å²	11	24.4 Å²	24.4	6%	0.059	14%	0.135	C	C	.	.	S	Bend	trans	-127.5	-6	-168.8	-48.9	118.6	0	0	0	115.7	L548 A551 P552 G563 W570 G571 T667	L548-N669 WeakPolarHBondContact CD2-OD1 3.48Å; A551-N669 HydrophobicContact CB-CB 3.89Å; A551-N669 WeakPolarHBondContact CB-ND2 3.41Å; P552-N669 WeakPolarHBondContact O-CA 3.4Å; P552-N669 WeakPolarHBondContact O-CB 3.44Å; P552-N669 PolarHBondContact O-ND2 2.79Å; G563-N669 PolarHBondContact N-OD1 3.23Å; W570-N669 HydrophobicContact CE3-CB 3.72Å; W570-N669 HydrophobicContact CZ3-CB 3.58Å; G571-N669 WeakPolarHBondContact CA-O 3.38Å; G571-N669 PolarHBondContact N-O 3.34Å; T667-N669 PolarHBondContact O-N 2.72Å; T667-N669 VanDerWaalsContact O-N 3.16Å; T667-N669 PolarHBondContact OG1-N 3.46Å
670	A	93.9	Very high	90.1	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	129.4	174	0	0	0	0	0	108.9	R564 L567 G571 T666 T667	R564-A670 WeakPolarHBondContact O-CB 3.42Å; L567-A670 HydrophobicContact CB-CB 4.15Å; L567-A670 VanDerWaalsContact CD1-C 3.49Å; L567-A670 HydrophobicContact CD1-CB 3.81Å; L567-A670 WeakPolarHBondContact CD1-O 3.5Å; G571-A670 WeakPolarHBondContact O-CA 3.21Å; T666-A670 WeakPolarHBondContact CA-O 3.2Å; T667-A670 PolarHBondContact N-O 3.05Å; T667-A670 PolarHBondContact OG1-N 3.05Å; T667-A670 PolarHBondContact OG1-O 2.86Å
671	W	96.4	Very high	90	Very high	34 Å²	34	22.6 Å²	22.6	13%	0.129	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	165.3	-177.1	62.6	96.1	0	0	0	110.9	P552 K553 N554 P555 G571 E572 N573 Y660 T666	P552-W671 HydrophobicContact CB-CH2 3.95Å; P552-W671 HydrophobicContact CB-CZ3 3.76Å; K553-W671 WeakPolarHBondContact O-CH2 2.96Å; K553-W671 VanDerWaalsContact O-CZ3 3.29Å; K553-W671 WeakPolarHBondContact O-CZ3 3.42Å; N554-W671 HydrophobicContact CB-CE3 4.05Å; P555-W671 VanDerWaalsContact CD-CD2 3.44Å; P555-W671 HydrophobicContact CG-CD2 4.36Å; P555-W671 HydrophobicContact CG-CG 4.46Å; P555-W671 HydrophobicContact CG-CZ2 4.35Å; G571-W671 VanDerWaalsContact CA-CZ3 3.5Å; G571-W671 PolarHBondContact O-N 3.36Å; E572-W671 HydrophobicContact CB-CZ2 3.99Å; N573-W671 VanDerWaalsContact CB-O 3.31Å; N573-W671 WeakPolarHBondContact CB-O 3.3Å; N573-W671 PolarHBondContact N-O 3.01Å; N573-W671 PolarHBondContact ND2-O 3.36Å; Y660-W671 HydrophobicContact CD2-CB 4.41Å; Y660-W671 AromaticContact CD2-CD1 3.95Å; Y660-W671 HydrophobicContact CD2-CG 4.44Å; Y660-W671 HydrophobicContact CE2-CB 3.64Å; Y660-W671 HydrophobicContact CE2-CG 4.04Å; T666-W671 HydrophobicContact CG2-CB 3.69Å
672	V	95.1	Very high	89.7	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	134.3	179.7	178.6	0	0	0	0	110.5	L567 N573 M575 L661 H663	L567-V672 HydrophobicContact CD1-CG2 4.03Å; L567-V672 HydrophobicContact CD2-CG2 3.59Å; L567-V672 HydrophobicContact CG-CG2 4.5Å; N573-V672 HydrophobicContact CB-CG2 4.33Å; N573-V672 VanDerWaalsContact O-CA 3.31Å; N573-V672 WeakPolarHBondContact O-CA 3.44Å; M575-V672 HydrophobicContact CB-CG1 4.02Å; M575-V672 HydrophobicContact CE-CG1 4.22Å; M575-V672 HydrophobicContact CE-CG2 3.86Å; M575-V672 HydrophobicContact CG-CG1 3.73Å; M575-V672 HydrophobicContact SD-CB 4.45Å; M575-V672 HydrophobicContact SD-CG1 3.42Å; M575-V672 WeakPolarHBondContact SD-CG1 3.44Å; M575-V672 HydrophobicContact SD-CG2 4.15Å; L661-V672 HydrophobicContact CB-CB 4.34Å; L661-V672 HydrophobicContact CB-CG1 3.98Å; L661-V672 HydrophobicContact CD2-CG1 4.09Å; L661-V672 PolarHBondContact N-O 2.79Å; H663-V672 HydrophobicContact CB-CB 3.82Å; H663-V672 HydrophobicContact CB-CG2 3.56Å
673	T	95.1	Very high	89.4	Confident	25 Å²	25	25.6 Å²	25.6	15%	0.153	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	131.7	159.6	58	0	0	0	0	108.5	E572 N573 K574 M575 G659	E572-T673 HydrophobicContact CG-CG2 3.84Å; E572-T673 WeakPolarHBondContact CG-OG1 3.43Å; E572-T673 WeakPolarHBondContact OE1-CB 3.38Å; E572-T673 VanDerWaalsContact OE1-CG2 3.3Å; E572-T673 WeakPolarHBondContact OE1-CG2 3.37Å; E572-T673 PolarHBondContact OE1-OG1 3.03Å; N573-T673 PolarHBondContact O-N 3.23Å; K574-T673 CarbonylContact C-O 3.58Å; K574-T673 WeakPolarHBondContact CA-O 3.06Å; K574-T673 WeakPolarHBondContact CG-OG1 3.41Å; M575-T673 PolarHBondContact N-O 3.27Å; G659-T673 CarbonylContact O-C 3.57Å; G659-T673 VanDerWaalsContact O-CA 3.23Å; G659-T673 WeakPolarHBondContact O-CA 3.34Å
674	A	92.5	Very high	89.3	Confident	1 Å²	1	26 Å²	26	1%	0.008	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	143.6	-175.1	0	0	0	0	0	111.6	M575 I577 F657 S658 G659 L661	M575-A674 HydrophobicContact CB-CB 4.48Å; M575-A674 CarbonylContact O-C 3.49Å; M575-A674 WeakPolarHBondContact O-CA 3.18Å; I577-A674 HydrophobicContact CD1-CB 4.01Å; F657-A674 HydrophobicContact CD1-CB 4.48Å; F657-A674 HydrophobicContact CE1-CB 4.4Å; S658-A674 VanDerWaalsContact CA-O 3.28Å; S658-A674 WeakPolarHBondContact CA-O 3.3Å; G659-A674 PolarHBondContact N-O 3.04Å; G659-A674 PolarHBondContact O-N 3.02Å; L661-A674 HydrophobicContact CB-CB 3.78Å; L661-A674 HydrophobicContact CD2-CB 3.77Å; L661-A674 HydrophobicContact CG-CB 4.25Å
675	T	91.1	Very high	89.4	Confident	25 Å²	25	26.2 Å²	26.2	15%	0.153	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	117.8	163.2	-53.9	0	0	0	0	109.1	M575 I577 R655 F657 Y677	M575-T675 PolarHBondContact O-N 3.06Å; I577-T675 PolarHBondContact N-O 3Å; R655-T675 HydrophobicContact CG-CG2 3.84Å; F657-T675 WeakPolarHBondContact O-CA 3.34Å; T675-Y677 HydrophobicContact CG2-CD1 4.35Å; T675-Y677 HydrophobicContact CG2-CE1 3.61Å; T675-Y677 HydrophobicContact CG2-CE2 3.85Å; T675-Y677 VanDerWaalsContact CG2-OH 3.31Å; T675-Y677 WeakPolarHBondContact CG2-OH 3.23Å; T675-Y677 WeakPolarHBondContact O-CE2 3.37Å
676	V	90.2	Very high	89.4	Confident	18 Å²	18	26 Å²	26	11%	0.109	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	126	-179.9	-174.9	0	0	0	0	109.8	I577 I579 L656 F657	I577-V676 HydrophobicContact CB-CG2 4.23Å; I577-V676 HydrophobicContact CD1-CG2 4.47Å; I577-V676 WeakPolarHBondContact O-CA 3.37Å; I579-V676 HydrophobicContact CD1-CG1 3.74Å; I579-V676 HydrophobicContact CG1-CG1 3.97Å; L656-V676 HydrophobicContact CB-CB 4.41Å; L656-V676 HydrophobicContact CB-CG1 4.27Å; L656-V676 HydrophobicContact CD1-CG1 4.35Å; L656-V676 PolarHBondContact N-O 3.49Å; F657-V676 HydrophobicContact CB-CB 3.94Å; F657-V676 HydrophobicContact CB-CG2 3.84Å; F657-V676 HydrophobicContact CD1-CG2 4.05Å; F657-V676 HydrophobicContact CG-CG2 4.39Å; F657-V676 PolarHBondContact O-N 2.8Å
677	Y	86.6	Confident	89.4	Confident	18 Å²	18	26 Å²	26	7%	0.071	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	138.2	179.1	-52.8	-80.6	0	0	0	109.7	E576 I577 I579 M650 T675	E576-Y677 HydrophobicContact CB-CE2 3.96Å; E576-Y677 HydrophobicContact CG-CE2 4.05Å; E576-Y677 PolarHBondContact OE1-OH 2.83Å; I577-Y677 PolarHBondContact O-N 3.19Å; I579-Y677 PolarHBondContact N-O 2.91Å; M650-Y677 HydrophobicContact CB-CD1 4.31Å; M650-Y677 HydrophobicContact CB-CG 4.39Å; M650-Y677 WeakPolarHBondContact O-CD1 3.5Å; M650-Y677 WeakPolarHBondContact O-CE1 3.27Å; M650-Y677 HydrophobicContact SD-CD2 3.91Å; M650-Y677 HydrophobicContact SD-CG 4.01Å; T675-Y677 HydrophobicContact CG2-CD1 4.35Å; T675-Y677 HydrophobicContact CG2-CE1 3.61Å; T675-Y677 HydrophobicContact CG2-CE2 3.85Å; T675-Y677 VanDerWaalsContact CG2-OH 3.31Å; T675-Y677 WeakPolarHBondContact CG2-OH 3.23Å; T675-Y677 WeakPolarHBondContact O-CE2 3.37Å
678	L	85.7	Confident	89.1	Confident	49 Å²	49	29.3 Å²	29.3	26%	0.257	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	118.3	166.5	-176.9	64.4	0	0	0	108.8	I579 I581 R654 L656	I579-L678 HydrophobicContact CB-CD1 4.15Å; I579-L678 HydrophobicContact CG2-CD1 3.96Å; I581-L678 HydrophobicContact CD1-CD1 4.03Å; I581-L678 HydrophobicContact CD1-CG 4.49Å; I581-L678 HydrophobicContact CG1-CD1 4.22Å; I581-L678 HydrophobicContact CG2-CD1 4.02Å; R654-L678 PolarHBondContact O-N 3.16Å; L656-L678 HydrophobicContact CD1-CB 3.89Å; L656-L678 HydrophobicContact CD2-CB 4.3Å; L656-L678 HydrophobicContact CD2-CD2 4.48Å; L656-L678 HydrophobicContact CG-CB 3.97Å
679	V	86.3	Confident	88.9	Confident	5 Å²	5	31.7 Å²	31.7	3%	0.03	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	122.8	-177.9	-174.6	0	0	0	0	109.1	I579 V580 I581 M650 E684 F687	I579-V679 PolarHBondContact O-N 3.49Å; V580-V679 CarbonylContact C-O 3.53Å; V580-V679 WeakPolarHBondContact CA-O 3.36Å; I581-V679 PolarHBondContact N-O 3.12Å; M650-V679 HydrophobicContact CE-CG2 4.26Å; M650-V679 HydrophobicContact SD-CG2 4.07Å; V679-E684 HydrophobicContact CG1-CB 4.47Å; V679-F687 HydrophobicContact CG1-CD2 3.61Å; V679-F687 HydrophobicContact CG1-CE2 3.55Å; V679-F687 HydrophobicContact CG1-CG 4.41Å; V679-F687 HydrophobicContact CG1-CZ 4.3Å
680	S	85.1	Confident	88.7	Confident	16 Å²	16	32 Å²	32	11%	0.112	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	139.8	173.3	179.4	0	0	0	0	111.2	I581 I682 Q683 E684	I581-S680 CarbonylContact O-C 3.54Å; I581-S680 VanDerWaalsContact O-CA 3.24Å; I581-S680 WeakPolarHBondContact O-CA 3.45Å; S680-I682 PolarHBondContact O-N 2.9Å; S680-I682 PolarHBondContact OG-N 2.85Å; S680-Q683 WeakPolarHBondContact O-CB 3.08Å; S680-Q683 PolarHBondContact O-N 2.88Å; S680-E684 PolarHBondContact O-N 3.18Å
681	T	86.9	Confident	88.3	Confident	9 Å²	9	34.1 Å²	34.1	6%	0.055	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-25	174.7	63.9	0	0	0	0	113.1	V580 I581 R582 Q683 E684 P685 F687 E688 W703	V580-T681 HydrophobicContact CG1-CG2 4.35Å; I581-T681 PolarHBondContact O-N 3.16Å; R582-T681 WeakPolarHBondContact CA-OG1 3.5Å; R582-T681 HydrophobicContact CB-CG2 3.7Å; R582-T681 WeakPolarHBondContact CB-OG1 3.28Å; T681-Q683 VanDerWaalsContact C-N 3.26Å; T681-Q683 PolarHBondContact O-N 3.21Å; T681-E684 CarbonylContact O-C 3.56Å; T681-P685 VanDerWaalsContact O-CA 3.26Å; T681-P685 WeakPolarHBondContact O-CA 3.29Å; T681-P685 VanDerWaalsContact O-N 3.13Å; T681-F687 HydrophobicContact CG2-CB 3.89Å; T681-E688 WeakPolarHBondContact CB-OE2 3.22Å; T681-E688 HydrophobicContact CG2-CB 4.39Å; T681-E688 WeakPolarHBondContact CG2-OE2 3.22Å; T681-E688 PolarHBondContact OG1-OE2 3.07Å; T681-W703 HydrophobicContact CG2-CH2 3.8Å; T681-W703 HydrophobicContact CG2-CZ2 4.26Å
682	I	81.1	Confident	87.7	Confident	115 Å²	115	34 Å²	34	59%	0.59	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-38.5	170.7	-62.9	173.9	0	0	0	110.6	K583 S680	K583-I682 HydrophobicContact CB-CD1 3.91Å; K583-I682 HydrophobicContact CD-CD1 4.26Å; S680-I682 PolarHBondContact O-N 2.9Å; S680-I682 PolarHBondContact OG-N 2.85Å
683	Q	76.6	Confident	86.5	Confident	133 Å²	133	43.8 Å²	43.8	62%	0.621	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-35.6	-176.3	-65.5	174.1	-15.2	0	0	111.9	S680 T681	S680-Q683 WeakPolarHBondContact O-CB 3.08Å; S680-Q683 PolarHBondContact O-N 2.88Å; T681-Q683 VanDerWaalsContact C-N 3.26Å; T681-Q683 PolarHBondContact O-N 3.21Å
684	E	86.3	Confident	84.9	Confident	16 Å²	16	49.2 Å²	49.2	8%	0.075	24%	0.244	C	C	.	.			trans	-133.1	93.2	173.3	-178.9	53.4	-106.9	0	0	110	K645 V679 S680 T681 C686 F687	K645-E684 WeakPolarHBondContact CE-OE1 3.37Å; K645-E684 IonicContact NZ-OE1 3.01Å; V679-E684 HydrophobicContact CG1-CB 4.47Å; S680-E684 PolarHBondContact O-N 3.18Å; T681-E684 CarbonylContact O-C 3.56Å; E684-C686 HydrophobicContact CG-CB 4.11Å; E684-C686 PolarHBondContact O-N 3.46Å; E684-C686 VanDerWaalsContact OE1-CB 3.31Å; E684-C686 WeakPolarHBondContact OE1-CB 3.35Å; E684-C686 PolarHBondContact OE1-N 3.45Å; E684-C686 PolarHBondContact OE1-SG 3.21Å; E684-F687 HydrophobicContact CB-CD2 3.92Å; E684-F687 HydrophobicContact CB-CE2 4.27Å; E684-F687 HydrophobicContact CG-CD2 3.71Å; E684-F687 HydrophobicContact CG-CE2 3.88Å; E684-F687 PolarHBondContact O-N 3.36Å; E684-F687 VanDerWaalsContact O-N 3.12Å
685	P	86.8	Confident	83	Confident	65 Å²	65	55 Å²	55	42%	0.422	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-58.3	-20.1	-178.9	-27.6	35.9	0	0	0	114.3	T681 F687 E688 H689	T681-P685 VanDerWaalsContact O-CA 3.26Å; T681-P685 WeakPolarHBondContact O-CA 3.29Å; T681-P685 VanDerWaalsContact O-N 3.13Å; P685-F687 PolarHBondContact O-N 3.4Å; P685-F687 VanDerWaalsContact O-N 3.13Å; P685-E688 WeakPolarHBondContact O-CB 3.45Å; P685-E688 PolarHBondContact O-N 3.15Å; P685-H689 PolarHBondContact O-CD2 2.71Å; P685-H689 PolarHBondContact O-N 3.13Å
686	C	90.8	Very high	80.9	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.007	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-58.3	-25.5	175.5	-68.6	0	0	0	0	113.7	C641 L646 E684 E688 H689	C641-C686 WeakPolarHBondContact CA-SG 3.36Å; C641-C686 HydrophobicContact CB-CB 3.74Å; C641-C686 WeakPolarHBondContact CB-SG 3.46Å; C641-C686 WeakPolarHBondContact SG-CA 3.39Å; C641-C686 WeakPolarHBondContact SG-CB 3.42Å; C641-C686 CovalentContact SG-SG 2.03Å; C641-C686 PolarHBondContact SG-SG 3.36Å; L646-C686 HydrophobicContact CD2-CB 3.69Å; L646-C686 HydrophobicContact CG-CB 4.46Å; E684-C686 HydrophobicContact CG-CB 4.11Å; E684-C686 PolarHBondContact O-N 3.46Å; E684-C686 VanDerWaalsContact OE1-CB 3.31Å; E684-C686 WeakPolarHBondContact OE1-CB 3.35Å; E684-C686 PolarHBondContact OE1-N 3.45Å; E684-C686 PolarHBondContact OE1-SG 3.21Å; C686-E688 VanDerWaalsContact C-N 3.35Å; C686-H689 PolarHBondContact O-N 3.21Å
687	F	90.3	Very high	79.1	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-78	-14.8	173	-72.3	-80.4	0	0	0	114	V580 F629 L646 M650 V679 T681 E684 P685 L690	V580-F687 HydrophobicContact CB-CD1 4.47Å; V580-F687 HydrophobicContact CG1-CB 3.7Å; V580-F687 HydrophobicContact CG1-CD1 3.77Å; V580-F687 HydrophobicContact CG1-CG 3.83Å; V580-F687 HydrophobicContact CG2-CD1 3.81Å; V580-F687 HydrophobicContact CG2-CE1 3.94Å; F629-F687 HydrophobicContact CB-CE1 4.31Å; F629-F687 HydrophobicContact CD1-CD1 4.04Å; F629-F687 AromaticContact CD1-CE1 3.71Å; F629-F687 HydrophobicContact CD1-CE1 3.71Å; F629-F687 HydrophobicContact CD2-CE1 4.13Å; F629-F687 HydrophobicContact CE1-CD1 4.23Å; F629-F687 AromaticContact CE1-CE1 4Å; F629-F687 HydrophobicContact CE1-CE1 4Å; F629-F687 HydrophobicContact CE2-CE1 4.4Å; F629-F687 AromaticContact CG-CE1 3.78Å; F629-F687 HydrophobicContact CG-CE1 3.78Å; F629-F687 HydrophobicContact CZ-CE1 4.34Å; L646-F687 HydrophobicContact CD2-CD2 4.05Å; L646-F687 HydrophobicContact CD2-CE1 4.2Å; L646-F687 HydrophobicContact CD2-CE2 3.59Å; L646-F687 HydrophobicContact CD2-CZ 3.66Å; M650-F687 HydrophobicContact CE-CE1 4.02Å; M650-F687 HydrophobicContact CE-CE2 4.45Å; M650-F687 HydrophobicContact CE-CZ 3.47Å; M650-F687 VanDerWaalsContact CE-CZ 3.47Å; V679-F687 HydrophobicContact CG1-CD2 3.61Å; V679-F687 HydrophobicContact CG1-CE2 3.55Å; V679-F687 HydrophobicContact CG1-CG 4.41Å; V679-F687 HydrophobicContact CG1-CZ 4.3Å; T681-F687 HydrophobicContact CG2-CB 3.89Å; E684-F687 HydrophobicContact CB-CD2 3.92Å; E684-F687 HydrophobicContact CB-CE2 4.27Å; E684-F687 HydrophobicContact CG-CD2 3.71Å; E684-F687 HydrophobicContact CG-CE2 3.88Å; E684-F687 PolarHBondContact O-N 3.36Å; E684-F687 VanDerWaalsContact O-N 3.12Å; P685-F687 PolarHBondContact O-N 3.4Å; P685-F687 VanDerWaalsContact O-N 3.13Å; F687-L690 HydrophobicContact CD1-CD1 4.29Å; F687-L690 WeakPolarHBondContact O-CD1 3.49Å; F687-L690 WeakPolarHBondContact O-CG 3.23Å
688	E	88.1	Confident	77.6	Confident	71 Å²	71	68.4 Å²	68.4	33%	0.332	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-24.3	171.7	-161.5	63.1	-133.2	0	0	111.4	R582 T681 P685 C686 L690	R582-E688 WeakPolarHBondContact CD-OE1 3.2Å; R582-E688 IonicContact CZ-OE1 3.65Å; R582-E688 IonicContact NH1-OE1 3Å; R582-E688 PolarHBondContact NH1-OE1 3.13Å; T681-E688 WeakPolarHBondContact CB-OE2 3.22Å; T681-E688 HydrophobicContact CG2-CB 4.39Å; T681-E688 WeakPolarHBondContact CG2-OE2 3.22Å; T681-E688 PolarHBondContact OG1-OE2 3.07Å; P685-E688 WeakPolarHBondContact O-CB 3.45Å; P685-E688 PolarHBondContact O-N 3.15Å; C686-E688 VanDerWaalsContact C-N 3.35Å; E688-L690 VanDerWaalsContact C-N 3.34Å; E688-L690 PolarHBondContact O-N 2.92Å
689	H	88.7	Confident	76.5	Confident	53 Å²	53	67.2 Å²	67.2	25%	0.245	32%	0.32	C	S	.	.	S	Bend	trans	-95.5	29.9	-174	-57.7	-38.7	0	0	0	113.6	R634 K637 P685 C686	R634-H689 WeakPolarHBondContact CG-O 3.47Å; R634-H689 PolarHBondContact N-O 2.99Å; K637-H689 HydrophobicContact CB-CB 4.05Å; K637-H689 HydrophobicContact CG-CB 4.03Å; P685-H689 PolarHBondContact O-CD2 2.71Å; P685-H689 PolarHBondContact O-N 3.13Å; C686-H689 PolarHBondContact O-N 3.21Å
690	L	88.9	Confident	76	Confident	17 Å²	17	69.5 Å²	69.5	9%	0.089	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-84	131.5	-180	-55.1	177.1	0	0	0	111.5	L591 F629 L632 V633 F687 E688 L692	L591-L690 HydrophobicContact CD2-CD1 4.05Å; F629-L690 HydrophobicContact CD1-CD1 4Å; F629-L690 HydrophobicContact CD1-CD2 4.35Å; F629-L690 HydrophobicContact CE1-CD1 4.15Å; L632-L690 HydrophobicContact CB-CD2 4Å; L632-L690 CarbonylContact O-C 3.52Å; L632-L690 WeakPolarHBondContact O-CA 3.43Å; V633-L690 HydrophobicContact CG2-CD2 4.16Å; F687-L690 HydrophobicContact CD1-CD1 4.29Å; F687-L690 WeakPolarHBondContact O-CD1 3.49Å; F687-L690 WeakPolarHBondContact O-CG 3.23Å; E688-L690 VanDerWaalsContact C-N 3.34Å; E688-L690 PolarHBondContact O-N 2.92Å; L690-L692 HydrophobicContact CB-CD2 3.6Å; L690-L692 HydrophobicContact CB-CG 4.27Å; L690-L692 HydrophobicContact CD1-CD2 4.3Å; L690-L692 PolarHBondContact O-N 3.12Å
691	E	85.7	Confident	76	Confident	45 Å²	45	69.2 Å²	69.2	21%	0.21	33%	0.326	C	S	.	.			trans	-90.7	79.2	175.8	-163.9	173.3	-152.5	0	0	110.1	L632 R634 E693 K694	L632-E691 PolarHBondContact O-N 2.84Å; R634-E691 HydrophobicContact CG-CB 3.91Å; R634-E691 HydrophobicContact CG-CG 4.5Å; E691-E693 VanDerWaalsContact C-N 3.34Å; E691-E693 PolarHBondContact O-N 3.48Å; E691-K694 HydrophobicContact CG-CB 3.73Å; E691-K694 HydrophobicContact CG-CD 4.34Å; E691-K694 WeakPolarHBondContact OE1-CD 3.19Å; E691-K694 IonicContact OE1-NZ 3.38Å; E691-K694 PolarHBondContact OE1-NZ 3.19Å
692	L	83.6	Confident	75.9	Confident	32 Å²	32	73 Å²	73	17%	0.168	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-22	-171.5	-54.1	-174.7	0	0	0	114.4	L591 L690	L591-L692 HydrophobicContact CD1-CD1 3.67Å; L591-L692 HydrophobicContact CD1-CD2 4.36Å; L690-L692 HydrophobicContact CB-CD2 3.6Å; L690-L692 HydrophobicContact CB-CG 4.27Å; L690-L692 HydrophobicContact CD1-CD2 4.3Å; L690-L692 PolarHBondContact O-N 3.12Å
693	E	70.2	Confident	76.2	Confident	205 Å²	205	69.7 Å²	69.7	96%	0.958	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-22.7	-174.7	-65.9	179	176.8	0	0	113.7	E691	E691-E693 VanDerWaalsContact C-N 3.34Å; E691-E693 PolarHBondContact O-N 3.48Å
694	K	62.5	Low	76.6	Confident	140 Å²	140	65.8 Å²	65.8	61%	0.609	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.2	-25.8	-165.3	-158.8	176.8	-176	177.1	0	114.4	E691	E691-K694 HydrophobicContact CG-CB 3.73Å; E691-K694 HydrophobicContact CG-CD 4.34Å; E691-K694 WeakPolarHBondContact OE1-CD 3.19Å; E691-K694 IonicContact OE1-NZ 3.38Å; E691-K694 PolarHBondContact OE1-NZ 3.19Å
695	Y	51	Low	76.3	Confident	121 Å²	121	70.4 Å²	70.4	48%	0.475	32%	0.324	S	S	.	.	S	Bend	trans	-126.8	120.3	-171.3	-80.6	-83.7	0	0	0	111.9	L632	L632-Y695 WeakPolarHBondContact CD2-O 3.39Å
696	S	48.2	Very low	75.7	Confident	33 Å²	33	72.2 Å²	72.2	23%	0.231	33%	0.325	C	S	.	.			trans	123.4	96.4	155.5	-174.1	0	0	0	0	111.9	Q698 F699 H700	S696-Q698 PolarHBondContact O-N 3.48Å; S696-Q698 PolarHBondContact OG-N 3.27Å; S696-F699 WeakPolarHBondContact CB-O 3.44Å; S696-F699 PolarHBondContact OG-N 3.02Å; S696-F699 PolarHBondContact OG-O 3.49Å; S696-H700 PolarHBondContact O-CE1 2.87Å
697	K	51.7	Low	74.4	Confident	215 Å²	215	76.4 Å²	76.4	94%	0.935	35%	0.348	S	S	*	.	S	Bend	trans	-59.5	-5.7	163.9	-65.3	179.9	176.8	-179.8	0	113.1
698	Q	55	Low	72.6	Confident	95 Å²	95	85.1 Å²	85.1	44%	0.444	39%	0.386	S	S	.	.	S	Bend	trans	-112.5	-35.4	-170.1	-160.9	178.6	7.4	0	0	112.9	R593 S696	R593-Q698 PolarHBondContact NH2-O 3.48Å; S696-Q698 PolarHBondContact O-N 3.48Å; S696-Q698 PolarHBondContact OG-N 3.27Å
699	F	62	Low	70.6	Confident	25 Å²	25	85.5 Å²	85.5	11%	0.11	39%	0.393	C	S	.	.			trans	-140.2	110.7	-173.8	-59.5	-74.2	0	0	0	111	E602 H628 S696 Y701	E602-F699 WeakPolarHBondContact OE1-CE1 3.25Å; H628-F699 AromaticContact CE1-CD2 3.4Å; H628-F699 WeakPolarHBondContact CE1-CD2 3.3Å; H628-F699 AromaticContact CE1-CG 3.93Å; H628-F699 AromaticContact ND1-CD2 3.96Å; S696-F699 WeakPolarHBondContact CB-O 3.44Å; S696-F699 PolarHBondContact OG-N 3.02Å; S696-F699 PolarHBondContact OG-O 3.49Å; F699-Y701 HydrophobicContact CB-CD2 4.49Å; F699-Y701 HydrophobicContact CB-CE2 3.66Å
700	H	76	Confident	68.7	Low	53 Å²	53	87.9 Å²	87.9	25%	0.245	40%	0.404	C	S	.	.			trans	-107.9	97	-169	-90.6	-46.7	0	0	0	108.8	R593 Y594 Q595 S696	R593-H700 CarbonylContact C-O 3.5Å; R593-H700 WeakPolarHBondContact CA-O 3.24Å; R593-H700 WeakPolarHBondContact CG-O 3.18Å; Y594-H700 HydrophobicContact CD1-CB 3.66Å; Y594-H700 VanDerWaalsContact CD1-O 3.23Å; Y594-H700 WeakPolarHBondContact CD1-O 3.12Å; Y594-H700 HydrophobicContact CD2-CB 4.45Å; Y594-H700 HydrophobicContact CE1-CB 3.22Å; Y594-H700 AromaticContact CE1-CG 3.64Å; Y594-H700 AromaticContact CE1-ND1 3.76Å; Y594-H700 HydrophobicContact CE2-CB 4.03Å; Y594-H700 HydrophobicContact CG-CB 4.25Å; Y594-H700 AromaticContact CZ-CG 3.41Å; Y594-H700 VanDerWaalsContact CZ-CG 3.41Å; Y594-H700 AromaticContact CZ-ND1 3.64Å; Y594-H700 PolarHBondContact N-O 2.75Å; Y594-H700 PolarHBondContact OH-CE1 3.28Å; Y594-H700 PolarHBondContact OH-ND1 3.03Å; Q595-H700 HydrophobicContact CB-CB 4.47Å; Q595-H700 PolarHBondContact OE1-CD2 2.9Å; S696-H700 PolarHBondContact O-CE1 2.87Å
701	Y	85.6	Confident	66.3	Low	9 Å²	9	91.8 Å²	91.8	4%	0.035	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	151.9	-176	-57.2	-72.4	0	0	0	112.8	L592 R593 P606 H628 L632 F699	L592-Y701 CarbonylContact O-C 3.41Å; L592-Y701 VanDerWaalsContact O-CA 3.27Å; L592-Y701 WeakPolarHBondContact O-CA 3.42Å; R593-Y701 HydrophobicContact CB-CD1 4.28Å; R593-Y701 HydrophobicContact CB-CE1 4.4Å; P606-Y701 HydrophobicContact CB-CE1 3.86Å; P606-Y701 HydrophobicContact CG-CD1 4.22Å; P606-Y701 HydrophobicContact CG-CE1 3.69Å; H628-Y701 AromaticContact NE2-CE2 3.31Å; H628-Y701 VanDerWaalsContact NE2-CE2 3.31Å; H628-Y701 WeakPolarHBondContact NE2-CE2 3.31Å; H628-Y701 AromaticContact NE2-CZ 3.78Å; H628-Y701 PolarHBondContact NE2-OH 3.16Å; L632-Y701 HydrophobicContact CD1-CD2 3.78Å; L632-Y701 HydrophobicContact CD1-CE2 3.73Å; F699-Y701 HydrophobicContact CB-CD2 4.49Å; F699-Y701 HydrophobicContact CB-CE2 3.66Å
702	K	85	Confident	64.1	Low	90 Å²	90	97.3 Å²	97.3	39%	0.391	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	152.1	171.3	66.5	176.1	176.2	177.4	0	109.9	L592	L592-K702 PolarHBondContact N-O 2.88Å; L592-K702 PolarHBondContact O-N 3.45Å; L592-K702 VanDerWaalsContact O-O 3.06Å
703	W	86.7	Confident	61.9	Low	45 Å²	45	101.5 Å²	101.5	17%	0.17	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	134	164.6	-68.7	103.8	0	0	0	109.5	V580 R582 E589 L591 T681	V580-W703 HydrophobicContact CB-CH2 4.49Å; V580-W703 HydrophobicContact CG1-CH2 3.78Å; V580-W703 HydrophobicContact CG1-CZ3 4.45Å; R582-W703 HydrophobicContact CB-CH2 4.1Å; R582-W703 HydrophobicContact CB-CZ3 4.05Å; R582-W703 HydrophobicContact CG-CD2 4.26Å; R582-W703 HydrophobicContact CG-CE3 3.79Å; R582-W703 HydrophobicContact CG-CH2 4.06Å; R582-W703 HydrophobicContact CG-CZ3 3.69Å; E589-W703 HydrophobicContact CB-CB 4.49Å; E589-W703 HydrophobicContact CB-CE3 4.13Å; L591-W703 HydrophobicContact CB-CD2 4.46Å; L591-W703 HydrophobicContact CB-CE3 4.02Å; L591-W703 HydrophobicContact CB-CH2 4.06Å; L591-W703 HydrophobicContact CB-CZ2 4.48Å; L591-W703 HydrophobicContact CB-CZ3 3.8Å; L591-W703 HydrophobicContact CD1-CD2 4Å; L591-W703 HydrophobicContact CD1-CE3 4.4Å; L591-W703 HydrophobicContact CD1-CG 4.4Å; L591-W703 HydrophobicContact CD1-CZ2 4.18Å; T681-W703 HydrophobicContact CG2-CH2 3.8Å; T681-W703 HydrophobicContact CG2-CZ2 4.26Å
704	Q	84.7	Confident	60.1	Low	51 Å²	51	98.2 Å²	98.2	24%	0.238	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	131	176	-178.1	159.7	-20.2	0	0	110	E589 V590 L592 F706 E710	E589-Q704 CarbonylContact C-O 3.58Å; E589-Q704 VanDerWaalsContact CA-O 3.24Å; E589-Q704 WeakPolarHBondContact CA-O 3.43Å; V590-Q704 PolarHBondContact N-O 3.19Å; V590-Q704 PolarHBondContact O-N 3.39Å; L592-Q704 HydrophobicContact CD1-CB 3.82Å; L592-Q704 HydrophobicContact CD1-CG 4.17Å; L592-Q704 HydrophobicContact CG-CB 4.31Å; Q704-F706 PolarHBondContact O-N 2.99Å; Q704-E710 PolarHBondContact NE2-OE1 3.28Å; Q704-E710 PolarHBondContact NE2-OE2 3.01Å; Q704-E710 VanDerWaalsContact NE2-OE2 3.12Å
705	K	80.9	Confident	58.9	Low	112 Å²	112	94.6 Å²	94.6	49%	0.487	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	125.7	176.8	-166	170.7	-175.1	168.6	0	110.2	D586 E589 N707	D586-K705 WeakPolarHBondContact O-CE 3.41Å; D586-K705 PolarHBondContact O-NZ 3.25Å; E589-K705 HydrophobicContact CG-CB 4.43Å; K705-N707 PolarHBondContact O-N 2.83Å
706	F	73.9	Confident	58.1	Low	103 Å²	103	94.4 Å²	94.4	45%	0.452	44%	0.444	S	S	.	.			trans	-72.9	108.2	179.6	-173.4	-99.9	0	0	0	110	I588 V590 Q704 I711	I588-F706 HydrophobicContact CB-CB 4.47Å; I588-F706 VanDerWaalsContact O-CB 3.28Å; I588-F706 WeakPolarHBondContact O-CB 3.43Å; I588-F706 PolarHBondContact O-N 3.38Å; V590-F706 HydrophobicContact CG2-CB 4.13Å; V590-F706 HydrophobicContact CG2-CD2 3.87Å; V590-F706 HydrophobicContact CG2-CG 4.39Å; Q704-F706 PolarHBondContact O-N 2.99Å; F706-I711 HydrophobicContact CE2-CD1 3.7Å; F706-I711 HydrophobicContact CE2-CG1 4.48Å; F706-I711 HydrophobicContact CZ-CD1 3.47Å; F706-I711 VanDerWaalsContact CZ-CD1 3.47Å; F706-I711 HydrophobicContact CZ-CG1 4.5Å
707	N	63.2	Low	57.4	Low	90 Å²	90	98.7 Å²	98.7	48%	0.481	46%	0.464	S	S	.	.			trans	-104.7	129.2	172.8	-164.8	-2.3	0	0	0	110.1	K705 T709 E710	K705-N707 PolarHBondContact O-N 2.83Å; N707-T709 VanDerWaalsContact CG-OG1 3.24Å; N707-T709 PolarHBondContact ND2-OG1 3.37Å; N707-T709 VanDerWaalsContact ND2-OG1 3.17Å; N707-T709 PolarHBondContact O-N 2.71Å; N707-T709 PolarHBondContact OD1-OG1 2.67Å; N707-E710 PolarHBondContact O-N 3.11Å
708	K	53.9	Low	56.8	Low	182 Å²	182	94.8 Å²	94.8	79%	0.791	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-22.6	-177.8	-73.7	-177.7	179.5	176.4	0	113.1
709	T	45.5	Very low	55.9	Low	80 Å²	80	95 Å²	95	49%	0.491	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-29.5	-177.6	45.6	0	0	0	0	114.4	N707 I711 R712	N707-T709 VanDerWaalsContact CG-OG1 3.24Å; N707-T709 PolarHBondContact ND2-OG1 3.37Å; N707-T709 VanDerWaalsContact ND2-OG1 3.17Å; N707-T709 PolarHBondContact O-N 2.71Å; N707-T709 PolarHBondContact OD1-OG1 2.67Å; T709-I711 PolarHBondContact O-N 2.85Å; T709-R712 VanDerWaalsContact O-CB 3.31Å; T709-R712 WeakPolarHBondContact O-CB 3.34Å; T709-R712 PolarHBondContact O-N 3.5Å
710	E	47.4	Very low	54.7	Low	103 Å²	103	99.3 Å²	99.3	48%	0.481	47%	0.465	S	S	.	.	G	3₁₀ helix	trans	-67.8	-22.8	-177.2	-70.5	179.4	163.7	0	0	112.5	Q704 N707 R712 D713	Q704-E710 PolarHBondContact NE2-OE1 3.28Å; Q704-E710 PolarHBondContact NE2-OE2 3.01Å; Q704-E710 VanDerWaalsContact NE2-OE2 3.12Å; N707-E710 PolarHBondContact O-N 3.11Å; E710-R712 PolarHBondContact O-N 2.91Å; E710-D713 PolarHBondContact O-N 2.85Å
711	I	40.4	Very low	52.8	Low	98 Å²	98	102.9 Å²	102.9	50%	0.503	49%	0.487	S	S	.	.	G	3₁₀ helix	trans	-71.4	-15.6	171.8	-64.2	179.6	0	0	0	112	F706 T709 D713 M714	F706-I711 HydrophobicContact CE2-CD1 3.7Å; F706-I711 HydrophobicContact CE2-CG1 4.48Å; F706-I711 HydrophobicContact CZ-CD1 3.47Å; F706-I711 VanDerWaalsContact CZ-CD1 3.47Å; F706-I711 HydrophobicContact CZ-CG1 4.5Å; T709-I711 PolarHBondContact O-N 2.85Å; I711-D713 VanDerWaalsContact C-N 3.28Å; I711-D713 PolarHBondContact O-N 2.71Å; I711-M714 PolarHBondContact O-N 3.47Å
712	R	37.9	Very low	50.4	Low	161 Å²	161	110 Å²	110	61%	0.608	52%	0.517	S	S	*	.	G	3₁₀ helix	trans	-68.9	-23.9	176.2	-75.9	-176.6	82.7	-179.5	4.4	113.2	T709 E710 M714 E715	T709-R712 VanDerWaalsContact O-CB 3.31Å; T709-R712 WeakPolarHBondContact O-CB 3.34Å; T709-R712 PolarHBondContact O-N 3.5Å; E710-R712 PolarHBondContact O-N 2.91Å; R712-M714 PolarHBondContact O-N 3.11Å; R712-E715 IonicContact NE-OE2 3.59Å; R712-E715 PolarHBondContact NE-OE2 3.45Å; R712-E715 WeakPolarHBondContact O-CA 3.19Å; R712-E715 WeakPolarHBondContact O-CB 3.47Å; R712-E715 VanDerWaalsContact O-CG 3.24Å; R712-E715 WeakPolarHBondContact O-CG 2.81Å; R712-E715 PolarHBondContact O-N 3.37Å
713	D	37.6	Very low	48.2	Very low	121 Å²	121	112.2 Å²	112.2	65%	0.647	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-71	-19.6	179	-66.5	-15.7	0	0	0	111.8	E710 I711 E715 D716	E710-D713 PolarHBondContact O-N 2.85Å; I711-D713 VanDerWaalsContact C-N 3.28Å; I711-D713 PolarHBondContact O-N 2.71Å; D713-E715 PolarHBondContact O-N 3.16Å; D713-D716 PolarHBondContact O-N 2.78Å
714	M	32.2	Very low	45.9	Very low	136 Å²	136	113.2 Å²	113.2	67%	0.67	54%	0.54	S	S	*	.	G	3₁₀ helix	trans	-68.3	-13.3	165.3	-80.3	-170.7	52.5	0	0	113.6	I711 R712 D716 L717	I711-M714 PolarHBondContact O-N 3.47Å; R712-M714 PolarHBondContact O-N 3.11Å; M714-D716 PolarHBondContact O-N 3.32Å; M714-L717 PolarHBondContact O-N 3.43Å
715	E	37.8	Very low	43.8	Very low	64 Å²	64	116.8 Å²	116.8	30%	0.299	56%	0.56	S	S	.	*	G	3₁₀ helix	trans	-66.8	-16.1	172.2	-60	-171.8	118.1	0	0	112.1	R712 D713 L717 R718	R712-E715 IonicContact NE-OE2 3.59Å; R712-E715 PolarHBondContact NE-OE2 3.45Å; R712-E715 WeakPolarHBondContact O-CA 3.19Å; R712-E715 WeakPolarHBondContact O-CB 3.47Å; R712-E715 VanDerWaalsContact O-CG 3.24Å; R712-E715 WeakPolarHBondContact O-CG 2.81Å; R712-E715 PolarHBondContact O-N 3.37Å; D713-E715 PolarHBondContact O-N 3.16Å; E715-L717 VanDerWaalsContact C-N 3.31Å; E715-L717 PolarHBondContact O-N 3.41Å; E715-R718 WeakPolarHBondContact O-CB 3.47Å; E715-R718 WeakPolarHBondContact O-CD 3.19Å; E715-R718 WeakPolarHBondContact O-CG 3.42Å; E715-R718 PolarHBondContact O-N 3.4Å; E715-R718 VanDerWaalsContact O-N 3.11Å; E715-R718 IonicContact OE1-CZ 2.84Å; E715-R718 IonicContact OE1-NH1 3.29Å; E715-R718 PolarHBondContact OE1-NH1 2.74Å; E715-R718 IonicContact OE1-NH2 3.63Å; E715-R718 PolarHBondContact OE1-NH2 3.45Å
716	D	34.3	Very low	42	Very low	116 Å²	116	114.4 Å²	114.4	62%	0.62	55%	0.551	S	S	*	*	G	3₁₀ helix	trans	-73.4	-19.8	177	-77.1	-20.5	0	0	0	113.4	D713 M714 R718 I719	D713-D716 PolarHBondContact O-N 2.78Å; M714-D716 PolarHBondContact O-N 3.32Å; D716-R718 PolarHBondContact O-N 2.77Å; D716-R718 VanDerWaalsContact O-N 3.09Å; D716-I719 VanDerWaalsContact O-CG1 3.28Å; D716-I719 WeakPolarHBondContact O-CG1 3.41Å; D716-I719 PolarHBondContact O-N 2.85Å; D716-I719 VanDerWaalsContact O-N 3.15Å
717	L	33.4	Very low	40.4	Very low	123 Å²	123	116.3 Å²	116.3	64%	0.644	57%	0.566	S	S	*	*	G	3₁₀ helix	trans	-65.2	-10.1	167.7	-74.4	165.1	0	0	0	112.8	M714 E715 I719 F720	M714-L717 PolarHBondContact O-N 3.43Å; E715-L717 VanDerWaalsContact C-N 3.31Å; E715-L717 PolarHBondContact O-N 3.41Å; L717-I719 PolarHBondContact O-N 2.84Å; L717-I719 VanDerWaalsContact O-N 3.12Å; L717-F720 PolarHBondContact O-N 2.92Å
718	R	39	Very low	39.7	Very low	134 Å²	134	117.5 Å²	117.5	51%	0.506	57%	0.573	S	S	.	*	H	α-helix	trans	-67	-2.7	170	-64.1	177.4	-177.2	157.6	6.9	113.3	E715 D716 F720 K722	E715-R718 WeakPolarHBondContact O-CB 3.47Å; E715-R718 WeakPolarHBondContact O-CD 3.19Å; E715-R718 WeakPolarHBondContact O-CG 3.42Å; E715-R718 PolarHBondContact O-N 3.4Å; E715-R718 VanDerWaalsContact O-N 3.11Å; E715-R718 IonicContact OE1-CZ 2.84Å; E715-R718 IonicContact OE1-NH1 3.29Å; E715-R718 PolarHBondContact OE1-NH1 2.74Å; E715-R718 IonicContact OE1-NH2 3.63Å; E715-R718 PolarHBondContact OE1-NH2 3.45Å; D716-R718 PolarHBondContact O-N 2.77Å; D716-R718 VanDerWaalsContact O-N 3.09Å; R718-F720 VanDerWaalsContact C-N 3.26Å; R718-F720 PolarHBondContact O-N 3.44Å; R718-K722 WeakPolarHBondContact O-CB 3.37Å; R718-K722 VanDerWaalsContact O-CG 3.24Å; R718-K722 WeakPolarHBondContact O-CG 3.33Å; R718-K722 PolarHBondContact O-N 3.09Å
719	I	36.7	Very low	39.7	Very low	100 Å²	100	111.3 Å²	111.3	51%	0.513	55%	0.551	S	S	.	*	H	α-helix	trans	-61.7	-37.1	172.5	-66.3	166.6	0	0	0	110.9	I497 D716 L717	I497-I719 HydrophobicContact CD1-CG2 4.12Å; D716-I719 VanDerWaalsContact O-CG1 3.28Å; D716-I719 WeakPolarHBondContact O-CG1 3.41Å; D716-I719 PolarHBondContact O-N 2.85Å; D716-I719 VanDerWaalsContact O-N 3.15Å; L717-I719 PolarHBondContact O-N 2.84Å; L717-I719 VanDerWaalsContact O-N 3.12Å
720	F	35.9	Very low	40.9	Very low	114 Å²	114	113.6 Å²	113.6	50%	0.5	55%	0.55	S	S	.	*	H	α-helix	trans	-89.1	-34.5	173.8	-69.6	-75.1	0	0	0	113.6	L502 L717 R718 K722 K723	L502-F720 HydrophobicContact CD1-CE2 3.46Å; L502-F720 VanDerWaalsContact CD1-CE2 3.46Å; L502-F720 HydrophobicContact CD1-CZ 3.57Å; L502-F720 HydrophobicContact CD2-CE1 4Å; L502-F720 HydrophobicContact CD2-CE2 4.07Å; L502-F720 HydrophobicContact CD2-CZ 3.24Å; L502-F720 HydrophobicContact CG-CE2 4.02Å; L502-F720 HydrophobicContact CG-CZ 3.58Å; L717-F720 PolarHBondContact O-N 2.92Å; R718-F720 VanDerWaalsContact C-N 3.26Å; R718-F720 PolarHBondContact O-N 3.44Å; F720-K722 VanDerWaalsContact C-N 3.26Å; F720-K722 CarbonylContact O-C 3.56Å; F720-K722 PolarHBondContact O-N 3.34Å; F720-K723 PolarHBondContact O-N 3.21Å
721	N	36.8	Very low	42.6	Very low	129 Å²	129	114.5 Å²	114.5	69%	0.69	55%	0.549	S	S	*	.	H	α-helix	trans	-81.8	-2.7	179.3	-114.2	-5.8	0	0	0	114.2	K723	N721-K723 PolarHBondContact O-N 3.49Å
722	K	35.3	Very low	44.9	Very low	157 Å²	157	109.8 Å²	109.8	68%	0.683	53%	0.525	S	S	*	.			trans	-67.4	67.9	144.9	-74.6	170.8	-173	166.7	0	107.3	R718 F720 C724	R718-K722 WeakPolarHBondContact O-CB 3.37Å; R718-K722 VanDerWaalsContact O-CG 3.24Å; R718-K722 WeakPolarHBondContact O-CG 3.33Å; R718-K722 PolarHBondContact O-N 3.09Å; F720-K722 VanDerWaalsContact C-N 3.26Å; F720-K722 CarbonylContact O-C 3.56Å; F720-K722 PolarHBondContact O-N 3.34Å; K722-C724 PolarHBondContact O-N 3.29Å
723	K	37.9	Very low	47.3	Very low	137 Å²	137	102.3 Å²	102.3	60%	0.596	50%	0.497	S	S	*	.			trans	-35.8	122.3	135.9	-76.5	-176.4	179.3	179	0	102.8	F720 N721 I725	F720-K723 PolarHBondContact O-N 3.21Å; N721-K723 PolarHBondContact O-N 3.49Å; K723-I725 PolarHBondContact O-N 3.5Å
724	C	40.5	Very low	50	Low	66 Å²	66	96.6 Å²	96.6	45%	0.446	47%	0.467	S	S	.	.			trans	-60.4	89.7	163.7	-172.5	0	0	0	0	102.9	K722 M726	K722-C724 PolarHBondContact O-N 3.29Å; C724-M726 PolarHBondContact O-N 2.98Å
725	I	38.8	Very low	52.8	Low	127 Å²	127	90.3 Å²	90.3	65%	0.651	44%	0.436	S	S	*	.			trans	-57.7	103.2	169.2	-61.2	175.6	0	0	0	99.2	K723 N727	K723-I725 PolarHBondContact O-N 3.5Å; I725-N727 WeakPolarHBondContact CG2-OD1 3.24Å; I725-N727 PolarHBondContact O-N 3.31Å
726	M	43.4	Very low	55.5	Low	61 Å²	61	87.2 Å²	87.2	30%	0.3	42%	0.422	S	S	.	.			trans	-68.3	87.8	-179.8	-65.8	-146	-40.1	0	0	102.9	L482 T484 C724 N728 P729	L482-M726 HydrophobicContact CD2-CE 3.68Å; T484-M726 HydrophobicContact CG2-CE 4.21Å; T484-M726 HydrophobicContact CG2-SD 3.89Å; C724-M726 PolarHBondContact O-N 2.98Å; M726-N728 PolarHBondContact O-N 3.47Å; M726-P729 HydrophobicContact CE-CB 3.61Å; M726-P729 HydrophobicContact CE-CG 4.35Å; M726-P729 VanDerWaalsContact O-CD 3.27Å; M726-P729 WeakPolarHBondContact O-CD 3.17Å
727	N	40.9	Very low	58.3	Low	143 Å²	143	81.8 Å²	81.8	77%	0.765	39%	0.393	S	S	*	.	S	Bend	trans	-60.9	100	176.1	-80.4	-7.2	0	0	0	104.5	I725	I725-N727 WeakPolarHBondContact CG2-OD1 3.24Å; I725-N727 PolarHBondContact O-N 3.31Å
728	N	48.9	Very low	61.1	Low	116 Å²	116	76 Å²	76	62%	0.62	36%	0.362	S	S	*	.	S	Bend	trans	68.6	79.3	178.2	-139.8	-11.3	0	0	0	114.4	M726 R730	M726-N728 PolarHBondContact O-N 3.47Å; N728-R730 PolarHBondContact O-N 3.08Å; N728-R730 VanDerWaalsContact O-N 3.07Å
729	P	54.2	Low	63.7	Low	52 Å²	52	70.7 Å²	70.7	34%	0.338	35%	0.345	S	S	.	.			trans	-46.5	119.9	164.3	13.6	-26.4	0	0	0	110	L482 M726 R731	L482-P729 HydrophobicContact CD1-CB 3.51Å; L482-P729 HydrophobicContact CD1-CG 4.32Å; L482-P729 HydrophobicContact CD2-CB 4.08Å; L482-P729 HydrophobicContact CG-CB 3.77Å; M726-P729 HydrophobicContact CE-CB 3.61Å; M726-P729 HydrophobicContact CE-CG 4.35Å; M726-P729 VanDerWaalsContact O-CD 3.27Å; M726-P729 WeakPolarHBondContact O-CD 3.17Å; P729-R731 PolarHBondContact O-N 2.98Å
730	R	70.9	Confident	66.2	Low	127 Å²	127	67.7 Å²	67.7	48%	0.479	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	108	-173.6	-76.3	166.9	168.8	-151.6	13.8	108.6	K483 N728 V732 Q755	K483-R730 HydrophobicContact CB-CB 4.31Å; K483-R730 WeakPolarHBondContact CB-O 3.26Å; K483-R730 PolarHBondContact N-O 2.71Å; K483-R730 PolarHBondContact O-N 3.41Å; N728-R730 PolarHBondContact O-N 3.08Å; N728-R730 VanDerWaalsContact O-N 3.07Å; R730-V732 PolarHBondContact O-N 3.49Å; R730-Q755 HydrophobicContact CB-CG 3.88Å
731	R	82.5	Confident	68.6	Low	122 Å²	122	67.3 Å²	67.3	46%	0.46	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	125.5	175.5	-64.7	174.9	179.8	-161.8	0.7	109.6	K480 P729 Y733 L756	K480-R731 VanDerWaalsContact NZ-NH1 3.19Å; P729-R731 PolarHBondContact O-N 2.98Å; R731-Y733 HydrophobicContact CB-CE2 3.81Å; R731-L756 PolarHBondContact O-N 3.34Å
732	V	88.6	Confident	70.8	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	123.4	175.4	172.9	0	0	0	0	107.5	F455 L481 K483 R730 C753 F754 Q755 V800	F455-V732 HydrophobicContact CE1-CG1 4.45Å; F455-V732 HydrophobicContact CE1-CG2 4.12Å; L481-V732 HydrophobicContact CB-CB 4.2Å; L481-V732 PolarHBondContact N-O 3.24Å; L481-V732 PolarHBondContact O-N 2.91Å; K483-V732 HydrophobicContact CB-CG2 3.72Å; K483-V732 HydrophobicContact CD-CG2 4.29Å; R730-V732 PolarHBondContact O-N 3.49Å; V732-C753 HydrophobicContact CG1-CB 4.01Å; V732-F754 WeakPolarHBondContact CA-O 3.35Å; V732-Q755 HydrophobicContact CG2-CB 4.14Å; V732-Q755 HydrophobicContact CG2-CG 3.99Å; V732-V800 HydrophobicContact CG1-CG2 4.21Å; V732-V800 HydrophobicContact CG2-CG2 4.28Å
733	Y	89	Confident	73	Confident	3 Å²	3	63.6 Å²	63.6	1%	0.012	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	123.4	178.5	-65.2	-89.4	0	0	0	107.3	L461 K480 R731 C753 F754 L756 I759 E764 M767	L461-Y733 HydrophobicContact CD1-CD1 3.76Å; L461-Y733 HydrophobicContact CD1-CE1 3.99Å; K480-Y733 HydrophobicContact CD-CE1 4.04Å; K480-Y733 WeakPolarHBondContact CE-OH 3.26Å; K480-Y733 HydrophobicContact CG-CD1 4.33Å; K480-Y733 HydrophobicContact CG-CE1 3.99Å; R731-Y733 HydrophobicContact CB-CE2 3.81Å; Y733-C753 CarbonylContact O-C 3.46Å; Y733-C753 VanDerWaalsContact O-CA 3.29Å; Y733-C753 WeakPolarHBondContact O-CA 3.47Å; Y733-F754 PolarHBondContact N-O 2.82Å; Y733-F754 PolarHBondContact O-N 2.88Å; Y733-L756 HydrophobicContact CD2-CB 4.27Å; Y733-L756 HydrophobicContact CD2-CD1 4.01Å; Y733-L756 HydrophobicContact CD2-CG 4.23Å; Y733-L756 HydrophobicContact CE2-CB 4.17Å; Y733-L756 HydrophobicContact CE2-CD1 4.13Å; Y733-I759 HydrophobicContact CD1-CD1 4.41Å; Y733-I759 HydrophobicContact CE1-CD1 3.98Å; Y733-I759 HydrophobicContact CE2-CB 4.46Å; Y733-I759 HydrophobicContact CE2-CD1 4.13Å; Y733-I759 WeakPolarHBondContact OH-CG2 3.28Å; Y733-E764 HydrophobicContact CE1-CG 4.49Å; Y733-E764 PolarHBondContact OH-OE1 3.34Å; Y733-M767 HydrophobicContact CD1-CE 3.29Å; Y733-M767 HydrophobicContact CD1-SD 4.09Å; Y733-M767 HydrophobicContact CE1-CE 3.63Å; Y733-M767 HydrophobicContact CG-CE 3.87Å; Y733-M767 HydrophobicContact CG-SD 4.31Å
734	C	92.7	Very high	75.3	Confident	2 Å²	2	60.5 Å²	60.5	1%	0.014	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	145.1	178.6	-67	0	0	0	0	110.2	L445 Q478 L479 L481 I752 C753	L445-C734 HydrophobicContact CD1-CB 4.12Å; Q478-C734 CarbonylContact C-O 3.58Å; Q478-C734 WeakPolarHBondContact CA-O 3.37Å; L479-C734 HydrophobicContact CB-CB 4.24Å; L479-C734 HydrophobicContact CD1-CB 4.44Å; L479-C734 PolarHBondContact N-O 3.34Å; L479-C734 PolarHBondContact O-N 3.16Å; L481-C734 WeakPolarHBondContact CD1-SG 3.48Å; C734-I752 CarbonylContact C-O 3.47Å; C734-I752 WeakPolarHBondContact CA-O 3.47Å; C734-C753 HydrophobicContact CB-CB 4.17Å; C734-C753 WeakPolarHBondContact CB-SG 3.4Å; C734-C753 WeakPolarHBondContact SG-CB 3.4Å; C734-C753 CovalentContact SG-SG 2.04Å; C734-C753 PolarHBondContact SG-SG 3.5Å
735	S	92.3	Very high	77.7	Confident	3 Å²	3	58.3 Å²	58.3	2%	0.021	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	141.2	167.5	-41.2	0	0	0	0	109.2	M477 A751 I752 W776	M477-S735 CarbonylContact O-C 3.48Å; M477-S735 WeakPolarHBondContact O-CA 3.42Å; S735-A751 CarbonylContact O-C 3.56Å; S735-A751 VanDerWaalsContact O-CA 3.22Å; S735-A751 WeakPolarHBondContact O-CA 3.34Å; S735-I752 PolarHBondContact N-O 3.36Å; S735-I752 PolarHBondContact O-N 2.9Å; S735-W776 WeakPolarHBondContact OG-CH2 3.38Å
736	W	94.2	Very high	80.1	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	136.6	-172.6	177.8	94.4	0	0	0	109.5	V441 M444 V475 I476 M477 G738 L740 P745 M748	V441-W736 HydrophobicContact CB-CD2 4.5Å; V441-W736 HydrophobicContact CG1-CB 3.78Å; V441-W736 HydrophobicContact CG1-CD2 3.59Å; V441-W736 HydrophobicContact CG1-CE3 4.13Å; V441-W736 HydrophobicContact CG1-CG 3.42Å; V441-W736 VanDerWaalsContact CG1-CG 3.42Å; V441-W736 HydrophobicContact CG2-CD2 3.98Å; V441-W736 HydrophobicContact CG2-CE3 3.91Å; V441-W736 HydrophobicContact CG2-CH2 4.04Å; V441-W736 HydrophobicContact CG2-CZ2 4.11Å; V441-W736 HydrophobicContact CG2-CZ3 3.93Å; M444-W736 HydrophobicContact SD-CZ2 4.36Å; V475-W736 HydrophobicContact CB-CZ3 3.95Å; V475-W736 HydrophobicContact CG1-CZ3 3.88Å; I476-W736 CarbonylContact C-O 3.58Å; I476-W736 WeakPolarHBondContact CA-O 2.79Å; M477-W736 HydrophobicContact CB-CE3 4.48Å; M477-W736 HydrophobicContact CG-CE3 4.34Å; M477-W736 PolarHBondContact N-O 3.08Å; M477-W736 PolarHBondContact O-N 3.47Å; W736-G738 VanDerWaalsContact CH2-CA 3.41Å; W736-L740 HydrophobicContact CH2-CD2 4.08Å; W736-L740 HydrophobicContact CZ3-CD2 4.49Å; W736-P745 HydrophobicContact CH2-CB 4.28Å; W736-P745 HydrophobicContact CZ2-CB 4.02Å; W736-M748 HydrophobicContact CZ2-CB 4.4Å; W736-M748 VanDerWaalsContact NE1-CG 3.34Å
737	I	93.1	Very high	82.2	Confident	2 Å²	2	55 Å²	55	1%	0.01	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	130.7	173.2	-57.1	171.6	0	0	0	107	V475 I476 L749 G750 W776 L786 P805	V475-I737 WeakPolarHBondContact O-CA 3.4Å; I476-I737 HydrophobicContact CG1-CG1 4.25Å; I476-I737 HydrophobicContact CG1-CG2 4.45Å; I476-I737 HydrophobicContact CG2-CG1 4.08Å; I737-L749 HydrophobicContact CG2-CB 4.19Å; I737-L749 HydrophobicContact CG2-CD1 4.18Å; I737-L749 WeakPolarHBondContact O-CA 3.49Å; I737-L749 WeakPolarHBondContact O-CB 3.41Å; I737-L749 PolarHBondContact O-N 3.16Å; I737-G750 PolarHBondContact N-O 2.57Å; I737-G750 PolarHBondContact O-N 3.47Å; I737-G750 VanDerWaalsContact O-N 3.08Å; I737-W776 HydrophobicContact CD1-CE3 4.22Å; I737-L786 HydrophobicContact CD1-CD2 3.6Å; I737-L786 HydrophobicContact CD1-CG 4.15Å; I737-L786 HydrophobicContact CG1-CD2 3.77Å; I737-P805 HydrophobicContact CD1-CG 4.1Å
738	G	92.8	Very high	84.6	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.2	-170.4	179.3	0	0	0	0	0	114.5	H474 V475 W736 M747	H474-G738 CarbonylContact C-O 3.47Å; H474-G738 WeakPolarHBondContact CA-O 3.29Å; V475-G738 PolarHBondContact N-O 2.84Å; V475-G738 PolarHBondContact O-N 3.03Å; W736-G738 VanDerWaalsContact CH2-CA 3.41Å; G738-M747 CarbonylContact C-O 3.19Å; G738-M747 WeakPolarHBondContact CA-O 3.44Å
739	T	92.3	Very high	86.5	Confident	24 Å²	24	44.7 Å²	44.7	15%	0.147	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	153.1	174.9	63.7	0	0	0	0	110.4	A746 M747 L749	T739-A746 PolarHBondContact O-N 2.79Å; T739-M747 PolarHBondContact N-O 3.33Å; T739-M747 PolarHBondContact O-N 2.88Å; T739-M747 WeakPolarHBondContact OG1-CB 3.15Å; T739-L749 HydrophobicContact CG2-CD1 4.47Å
740	L	89.8	Confident	88.2	Confident	36 Å²	36	42.2 Å²	42.2	19%	0.188	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	148.1	177.1	-54.7	-176.3	0	0	0	110.6	W429 T437 V475 W736 T744 P745	W429-L740 HydrophobicContact CH2-CD1 4.13Å; W429-L740 HydrophobicContact CZ2-CD1 3.86Å; T437-L740 HydrophobicContact CG2-CD1 3.75Å; T437-L740 HydrophobicContact CG2-CD2 3.57Å; T437-L740 HydrophobicContact CG2-CG 4.34Å; V475-L740 HydrophobicContact CB-CD1 4.41Å; V475-L740 HydrophobicContact CB-CG 4.27Å; V475-L740 HydrophobicContact CG2-CD1 3.64Å; V475-L740 HydrophobicContact CG2-CG 3.75Å; W736-L740 HydrophobicContact CH2-CD2 4.08Å; W736-L740 HydrophobicContact CZ3-CD2 4.49Å; L740-T744 CarbonylContact C-O 3.53Å; L740-T744 VanDerWaalsContact CA-O 3.27Å; L740-T744 WeakPolarHBondContact CA-O 3.47Å; L740-P745 HydrophobicContact CD2-CB 4.44Å; L740-P745 HydrophobicContact CD2-CG 4.36Å
741	I	85.8	Confident	89.4	Confident	106 Å²	106	36.1 Å²	36.1	54%	0.544	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	122.1	160.7	-67.2	167.9	0	0	0	105.7	D743 T744 A746	I741-D743 VanDerWaalsContact C-N 3.3Å; I741-D743 PolarHBondContact O-N 2.8Å; I741-T744 PolarHBondContact N-O 2.92Å; I741-T744 PolarHBondContact O-N 2.9Å; I741-T744 PolarHBondContact O-OG1 2.88Å; I741-A746 HydrophobicContact CB-CB 4.09Å; I741-A746 HydrophobicContact CD1-CB 3.56Å; I741-A746 HydrophobicContact CG1-CB 3.55Å
742	N	82.6	Confident	89.8	Confident	153 Å²	153	30.3 Å²	30.3	82%	0.818	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.9	46.3	-178.3	-59	-19.4	0	0	0	113.4	T744	N742-T744 PolarHBondContact O-N 2.78Å
743	D	82.5	Confident	90	Very high	55 Å²	55	30.3 Å²	30.3	29%	0.294	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	12.8	-175.4	-62	-45.4	0	0	0	115.4	T437 K465 I741	T437-D743 PolarHBondContact OG1-O 2.91Å; K465-D743 IonicContact NZ-OD1 3.6Å; K465-D743 PolarHBondContact NZ-OD1 2.82Å; I741-D743 VanDerWaalsContact C-N 3.3Å; I741-D743 PolarHBondContact O-N 2.8Å
744	T	86.6	Confident	89.9	Confident	72 Å²	72	30.2 Å²	30.2	44%	0.442	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	138.3	168.9	60	0	0	0	0	110.9	L740 I741 N742 A746	L740-T744 CarbonylContact C-O 3.53Å; L740-T744 VanDerWaalsContact CA-O 3.27Å; L740-T744 WeakPolarHBondContact CA-O 3.47Å; I741-T744 PolarHBondContact N-O 2.92Å; I741-T744 PolarHBondContact O-N 2.9Å; I741-T744 PolarHBondContact O-OG1 2.88Å; N742-T744 PolarHBondContact O-N 2.78Å; T744-A746 PolarHBondContact O-N 3.45Å; T744-A746 VanDerWaalsContact O-N 3.08Å
745	P	89.4	Confident	89.4	Confident	20 Å²	20	31.8 Å²	31.8	13%	0.13	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	111.9	179	-23.8	35.9	0	0	0	111.4	T437 N440 V441 M444 W736 L740	T437-P745 HydrophobicContact CG2-CG 4.46Å; N440-P745 VanDerWaalsContact CB-CD 3.46Å; N440-P745 HydrophobicContact CB-CG 3.83Å; V441-P745 HydrophobicContact CB-CG 4.33Å; V441-P745 HydrophobicContact CG2-CB 4.11Å; V441-P745 HydrophobicContact CG2-CG 3.44Å; V441-P745 VanDerWaalsContact CG2-CG 3.44Å; M444-P745 HydrophobicContact CE-CB 3.53Å; M444-P745 VanDerWaalsContact CE-O 3.23Å; M444-P745 WeakPolarHBondContact CE-O 3.39Å; M444-P745 HydrophobicContact SD-CB 4.09Å; W736-P745 HydrophobicContact CH2-CB 4.28Å; W736-P745 HydrophobicContact CZ2-CB 4.02Å; L740-P745 HydrophobicContact CD2-CB 4.44Å; L740-P745 HydrophobicContact CD2-CG 4.36Å
746	A	88.8	Confident	88.3	Confident	49 Å²	49	32.5 Å²	32.5	41%	0.405	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-45	-178	0	0	0	0	0	111.8	T739 I741 T744	T739-A746 PolarHBondContact O-N 2.79Å; I741-A746 HydrophobicContact CB-CB 4.09Å; I741-A746 HydrophobicContact CD1-CB 3.56Å; I741-A746 HydrophobicContact CG1-CB 3.55Å; T744-A746 PolarHBondContact O-N 3.45Å; T744-A746 VanDerWaalsContact O-N 3.08Å
747	M	88.8	Confident	86.8	Confident	70 Å²	70	42.6 Å²	42.6	35%	0.345	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	130	-179.7	-174.8	179.7	177	0	0	110.8	G738 T739 L749	G738-M747 CarbonylContact C-O 3.19Å; G738-M747 WeakPolarHBondContact CA-O 3.44Å; T739-M747 PolarHBondContact N-O 3.33Å; T739-M747 PolarHBondContact O-N 2.88Å; T739-M747 WeakPolarHBondContact OG1-CB 3.15Å; M747-L749 HydrophobicContact CE-CD2 4Å; M747-L749 HydrophobicContact SD-CD2 4.18Å
748	M	90.3	Very high	85	Confident	4 Å²	4	44 Å²	44	2%	0.02	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	118	169.4	171.3	-174.5	107	0	0	109.8	M444 L445 K448 W736 A751 D803 R817	M444-M748 HydrophobicContact SD-CB 3.79Å; L445-M748 HydrophobicContact CD2-SD 4.33Å; K448-M748 HydrophobicContact CG-CE 4.33Å; W736-M748 HydrophobicContact CZ2-CB 4.4Å; W736-M748 VanDerWaalsContact NE1-CG 3.34Å; M748-A751 HydrophobicContact CE-CB 4.12Å; M748-A751 HydrophobicContact CG-CB 4.35Å; M748-A751 HydrophobicContact SD-CB 3.65Å; M748-D803 HydrophobicContact CE-CB 4.34Å; M748-D803 WeakPolarHBondContact CE-OD2 3.31Å; M748-R817 PolarHBondContact O-NH2 3.01Å
749	L	89.2	Confident	83.4	Confident	38 Å²	38	44.3 Å²	44.3	20%	0.199	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	-32.1	176.3	-63.1	173.2	0	0	0	111.7	H474 I737 T739 M747 P805	H474-L749 VanDerWaalsContact CE1-CD1 3.42Å; H474-L749 WeakPolarHBondContact CE1-CD1 3.26Å; H474-L749 WeakPolarHBondContact NE2-CD1 2.77Å; I737-L749 HydrophobicContact CG2-CB 4.19Å; I737-L749 HydrophobicContact CG2-CD1 4.18Å; I737-L749 WeakPolarHBondContact O-CA 3.49Å; I737-L749 WeakPolarHBondContact O-CB 3.41Å; I737-L749 PolarHBondContact O-N 3.16Å; T739-L749 HydrophobicContact CG2-CD1 4.47Å; M747-L749 HydrophobicContact CE-CD2 4Å; M747-L749 HydrophobicContact SD-CD2 4.18Å; L749-P805 WeakPolarHBondContact O-CA 3.49Å
750	G	91.1	Very high	81.5	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.9	155.8	170.5	0	0	0	0	0	112.4	I737 D803	I737-G750 PolarHBondContact N-O 2.57Å; I737-G750 PolarHBondContact O-N 3.47Å; I737-G750 VanDerWaalsContact O-N 3.08Å; G750-D803 CarbonylContact C-O 3.51Å; G750-D803 WeakPolarHBondContact CA-O 3.3Å
751	A	94.1	Very high	79.7	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	145.7	176.3	0	0	0	0	0	112.4	L445 S735 M748 L801 D803	L445-A751 HydrophobicContact CD2-CB 3.61Å; S735-A751 CarbonylContact O-C 3.56Å; S735-A751 VanDerWaalsContact O-CA 3.22Å; S735-A751 WeakPolarHBondContact O-CA 3.34Å; M748-A751 HydrophobicContact CE-CB 4.12Å; M748-A751 HydrophobicContact CG-CB 4.35Å; M748-A751 HydrophobicContact SD-CB 3.65Å; A751-L801 HydrophobicContact CB-CD2 3.76Å; A751-D803 PolarHBondContact N-O 3.31Å; A751-D803 CarbonylContact O-C 3.59Å; A751-D803 WeakPolarHBondContact O-CA 3.31Å; A751-D803 PolarHBondContact O-N 3.03Å
752	I	92	Very high	78	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	137.2	173.1	-171.6	169.7	0	0	0	108.1	C734 S735 F754 L786 I788 F799 L801 Y802	C734-I752 CarbonylContact C-O 3.47Å; C734-I752 WeakPolarHBondContact CA-O 3.47Å; S735-I752 PolarHBondContact N-O 3.36Å; S735-I752 PolarHBondContact O-N 2.9Å; I752-F754 HydrophobicContact CD1-CD1 4.21Å; I752-F754 HydrophobicContact CG1-CD1 4.02Å; I752-L786 HydrophobicContact CB-CD1 3.88Å; I752-L786 HydrophobicContact CG2-CB 4.2Å; I752-L786 HydrophobicContact CG2-CD1 4.1Å; I752-L786 HydrophobicContact CG2-CD2 4.25Å; I752-L786 HydrophobicContact CG2-CG 4.42Å; I752-I788 HydrophobicContact CD1-CD1 4.14Å; I752-I788 HydrophobicContact CD1-CG1 3.79Å; I752-I788 HydrophobicContact CD1-CG2 4.44Å; I752-F799 HydrophobicContact CD1-CD1 3.87Å; I752-F799 HydrophobicContact CD1-CE1 3.29Å; I752-F799 HydrophobicContact CD1-CZ 4.06Å; I752-F799 HydrophobicContact CG1-CD1 3.61Å; I752-F799 HydrophobicContact CG1-CE1 3.57Å; I752-L801 CarbonylContact C-O 3.48Å; I752-L801 WeakPolarHBondContact CA-O 3.25Å; I752-Y802 HydrophobicContact CB-CD2 4.44Å; I752-Y802 HydrophobicContact CD1-CD2 3.63Å; I752-Y802 HydrophobicContact CD1-CE2 3.85Å; I752-Y802 HydrophobicContact CG1-CD2 3.83Å; I752-Y802 HydrophobicContact CG1-CE2 4.48Å
753	C	91.8	Very high	77	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	124.4	169.4	-66.8	0	0	0	0	108.4	L449 V732 Y733 C734 V800 L801	L449-C753 HydrophobicContact CD2-CB 4.14Å; V732-C753 HydrophobicContact CG1-CB 4.01Å; Y733-C753 CarbonylContact O-C 3.46Å; Y733-C753 VanDerWaalsContact O-CA 3.29Å; Y733-C753 WeakPolarHBondContact O-CA 3.47Å; C734-C753 HydrophobicContact CB-CB 4.17Å; C734-C753 WeakPolarHBondContact CB-SG 3.4Å; C734-C753 WeakPolarHBondContact SG-CB 3.4Å; C734-C753 CovalentContact SG-SG 2.04Å; C734-C753 PolarHBondContact SG-SG 3.5Å; C753-V800 HydrophobicContact CB-CB 4Å; C753-V800 WeakPolarHBondContact O-CA 3.37Å; C753-V800 WeakPolarHBondContact O-CB 3.19Å; C753-V800 PolarHBondContact O-N 3.1Å; C753-L801 HydrophobicContact CB-CB 3.81Å; C753-L801 PolarHBondContact N-O 2.89Å; C753-L801 PolarHBondContact O-N 3.33Å; C753-L801 VanDerWaalsContact O-O 3.13Å
754	F	87.5	Confident	76.1	Confident	1 Å²	1	35.3 Å²	35.3	0%	0.004	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	146.5	176.3	54.1	-87.4	0	0	0	111.3	V732 Y733 I752 L756 M767 P789 K792 F799	V732-F754 WeakPolarHBondContact CA-O 3.35Å; Y733-F754 PolarHBondContact N-O 2.82Å; Y733-F754 PolarHBondContact O-N 2.88Å; I752-F754 HydrophobicContact CD1-CD1 4.21Å; I752-F754 HydrophobicContact CG1-CD1 4.02Å; F754-L756 HydrophobicContact CD2-CD1 4.3Å; F754-L756 HydrophobicContact CD2-CD2 4.08Å; F754-L756 HydrophobicContact CD2-CG 3.8Å; F754-L756 HydrophobicContact CE2-CD1 3.77Å; F754-L756 HydrophobicContact CE2-CD2 4.25Å; F754-L756 HydrophobicContact CE2-CG 3.8Å; F754-M767 HydrophobicContact CZ-SD 4.12Å; F754-P789 HydrophobicContact CE1-CG 4.42Å; F754-P789 HydrophobicContact CE2-CG 4.01Å; F754-P789 HydrophobicContact CZ-CG 3.66Å; F754-K792 HydrophobicContact CD2-CG 4.16Å; F754-K792 HydrophobicContact CG-CG 4.44Å; F754-F799 HydrophobicContact CB-CD1 3.65Å; F754-F799 HydrophobicContact CB-CE1 3.74Å; F754-F799 HydrophobicContact CD1-CD1 4.3Å; F754-F799 AromaticContact CD1-CE1 3.87Å; F754-F799 HydrophobicContact CD1-CE1 3.87Å; F754-F799 HydrophobicContact CG-CD1 4.42Å; F754-F799 HydrophobicContact CG-CE1 4.1Å
755	Q	82.7	Confident	74.8	Confident	34 Å²	34	35.8 Å²	35.8	16%	0.159	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	126.7	174.5	-160.5	-160.7	-54.1	0	0	109	R730 V732 K792 V800	R730-Q755 HydrophobicContact CB-CG 3.88Å; V732-Q755 HydrophobicContact CG2-CB 4.14Å; V732-Q755 HydrophobicContact CG2-CG 3.99Å; Q755-K792 WeakPolarHBondContact O-CE 3.45Å; Q755-K792 PolarHBondContact O-NZ 2.85Å; Q755-V800 HydrophobicContact CB-CG2 4.31Å
756	L	70	Confident	73.5	Confident	19 Å²	19	41 Å²	41	10%	0.099	20%	0.201	C	C	.	.			trans	-104.5	141.7	165.7	-68.7	178.3	0	0	0	108.8	R731 Y733 F754 I759 K792	R731-L756 PolarHBondContact O-N 3.34Å; Y733-L756 HydrophobicContact CD2-CB 4.27Å; Y733-L756 HydrophobicContact CD2-CD1 4.01Å; Y733-L756 HydrophobicContact CD2-CG 4.23Å; Y733-L756 HydrophobicContact CE2-CB 4.17Å; Y733-L756 HydrophobicContact CE2-CD1 4.13Å; F754-L756 HydrophobicContact CD2-CD1 4.3Å; F754-L756 HydrophobicContact CD2-CD2 4.08Å; F754-L756 HydrophobicContact CD2-CG 3.8Å; F754-L756 HydrophobicContact CE2-CD1 3.77Å; F754-L756 HydrophobicContact CE2-CD2 4.25Å; F754-L756 HydrophobicContact CE2-CG 3.8Å; L756-I759 HydrophobicContact CD1-CB 3.81Å; L756-I759 HydrophobicContact CD1-CD1 3.66Å; L756-I759 HydrophobicContact CD1-CG1 3.66Å; L756-K792 VanDerWaalsContact CD2-CE 3.46Å; L756-K792 HydrophobicContact CD2-CG 4.34Å
757	R	62.4	Low	72.4	Confident	211 Å²	211	39.5 Å²	39.5	80%	0.796	19%	0.185	S	C	*	.	S	Bend	trans	-78.1	-41.9	167.4	-69.1	-173	-177.8	-171.2	0.8	109.4
758	T	54.2	Low	70.9	Confident	32 Å²	32	37.8 Å²	37.8	20%	0.196	19%	0.185	C	C	.	.			trans	-138.2	146.7	173.4	51.5	0	0	0	0	109	Y375	Y375-T758 HydrophobicContact CD1-CG2 3.81Å; Y375-T758 HydrophobicContact CE1-CG2 3.54Å
759	I	58.9	Low	69.3	Low	7 Å²	7	39.9 Å²	39.9	4%	0.036	20%	0.199	C	C	.	.			trans	-117.5	139.9	170.5	-163.7	164.7	0	0	0	108.9	R31 Y733 L756 E763 E764 M767	R31-I759 PolarHBondContact NH1-O 3.24Å; R31-I759 VanDerWaalsContact NH1-O 3.13Å; Y733-I759 HydrophobicContact CD1-CD1 4.41Å; Y733-I759 HydrophobicContact CE1-CD1 3.98Å; Y733-I759 HydrophobicContact CE2-CB 4.46Å; Y733-I759 HydrophobicContact CE2-CD1 4.13Å; Y733-I759 WeakPolarHBondContact OH-CG2 3.28Å; L756-I759 HydrophobicContact CD1-CB 3.81Å; L756-I759 HydrophobicContact CD1-CD1 3.66Å; L756-I759 HydrophobicContact CD1-CG1 3.66Å; I759-E763 HydrophobicContact CD1-CB 4.03Å; I759-E763 HydrophobicContact CG1-CB 3.59Å; I759-E764 HydrophobicContact CD1-CB 3.84Å; I759-E764 HydrophobicContact CD1-CG 4.35Å; I759-E764 HydrophobicContact CG1-CB 4.24Å; I759-E764 HydrophobicContact CG2-CB 4.16Å; I759-E764 WeakPolarHBondContact CG2-OE2 3.38Å; I759-M767 HydrophobicContact CD1-CE 3.05Å; I759-M767 HydrophobicContact CD1-SD 4.45Å
760	S	54.2	Low	67.5	Low	18 Å²	18	44.5 Å²	44.5	13%	0.126	23%	0.228	C	C	.	.			trans	-75.2	154.1	168.9	86.5	0	0	0	0	109.4	E762 E763 E764	S760-E762 PolarHBondContact O-N 3.11Å; S760-E762 PolarHBondContact OG-N 2.99Å; S760-E762 PolarHBondContact OG-OE2 2.82Å; S760-E763 PolarHBondContact O-N 2.83Å; S760-E763 VanDerWaalsContact O-N 3.14Å; S760-E763 PolarHBondContact OG-N 3.3Å; S760-E763 VanDerWaalsContact OG-N 3.12Å; S760-E764 PolarHBondContact O-N 2.64Å
761	I	50.4	Low	66.4	Low	26 Å²	26	47.4 Å²	47.4	13%	0.133	24%	0.244	C	C	.	.	H	α-helix	trans	-60.6	-37.8	177.5	-70	161.7	0	0	0	109.9	K27 L28 E763 E764 L765	K27-I761 HydrophobicContact CB-CD1 3.88Å; K27-I761 HydrophobicContact CB-CG2 4.2Å; K27-I761 HydrophobicContact CD-CG2 3.75Å; L28-I761 HydrophobicContact CD2-CD1 3.7Å; L28-I761 HydrophobicContact CG-CD1 3.92Å; I761-E763 PolarHBondContact O-N 2.78Å; I761-E764 PolarHBondContact O-N 3.16Å; I761-L765 HydrophobicContact CG2-CD1 3.49Å; I761-L765 VanDerWaalsContact CG2-CD1 3.49Å; I761-L765 HydrophobicContact CG2-CG 4.04Å; I761-L765 VanDerWaalsContact O-CB 3.3Å; I761-L765 WeakPolarHBondContact O-CB 3.36Å; I761-L765 WeakPolarHBondContact O-CG 3.41Å; I761-L765 PolarHBondContact O-N 2.86Å
762	E	51.2	Low	65.5	Low	64 Å²	64	47.5 Å²	47.5	30%	0.299	24%	0.244	S	C	.	.	H	α-helix	trans	-59.4	-45.8	174.2	-63.9	79.7	-172.9	0	0	111.9	R24 S760 E764 L765 E766	R24-E762 IonicContact CZ-OE1 3.49Å; R24-E762 IonicContact NE-OE1 3.37Å; R24-E762 PolarHBondContact NE-OE1 3.33Å; R24-E762 IonicContact NH2-OE1 3.04Å; S760-E762 PolarHBondContact O-N 3.11Å; S760-E762 PolarHBondContact OG-N 2.99Å; S760-E762 PolarHBondContact OG-OE2 2.82Å; E762-E764 PolarHBondContact O-N 2.81Å; E762-L765 PolarHBondContact O-N 3.28Å; E762-E766 VanDerWaalsContact O-CB 3.24Å; E762-E766 WeakPolarHBondContact O-CB 3.35Å; E762-E766 VanDerWaalsContact O-CG 3.25Å; E762-E766 WeakPolarHBondContact O-CG 3.37Å; E762-E766 PolarHBondContact O-N 3.11Å
763	E	61.4	Low	65.1	Low	29 Å²	29	47.5 Å²	47.5	14%	0.136	24%	0.244	C	C	.	.	H	α-helix	trans	-65.8	-38.2	179.4	-73.9	177.3	156.2	0	0	111.7	I759 S760 I761 M767 R791	I759-E763 HydrophobicContact CD1-CB 4.03Å; I759-E763 HydrophobicContact CG1-CB 3.59Å; S760-E763 PolarHBondContact O-N 2.83Å; S760-E763 VanDerWaalsContact O-N 3.14Å; S760-E763 PolarHBondContact OG-N 3.3Å; S760-E763 VanDerWaalsContact OG-N 3.12Å; I761-E763 PolarHBondContact O-N 2.78Å; E763-M767 WeakPolarHBondContact O-CB 3.38Å; E763-M767 VanDerWaalsContact O-CG 3.3Å; E763-M767 WeakPolarHBondContact O-CG 3.42Å; E763-M767 PolarHBondContact O-N 3.47Å; E763-M767 VanDerWaalsContact O-N 3.09Å; E763-R791 WeakPolarHBondContact OE1-CD 3.24Å
764	E	63.1	Low	64.2	Low	48 Å²	48	50.6 Å²	50.6	22%	0.224	26%	0.261	C	S	.	.	H	α-helix	trans	-71.5	-34.8	175.8	-159.8	159.7	-153	0	0	112.2	K480 Y733 I759 S760 I761 E762 M767 G768	K480-E764 IonicContact NZ-OE1 3.9Å; K480-E764 PolarHBondContact NZ-OE1 2.89Å; Y733-E764 HydrophobicContact CE1-CG 4.49Å; Y733-E764 PolarHBondContact OH-OE1 3.34Å; I759-E764 HydrophobicContact CD1-CB 3.84Å; I759-E764 HydrophobicContact CD1-CG 4.35Å; I759-E764 HydrophobicContact CG1-CB 4.24Å; I759-E764 HydrophobicContact CG2-CB 4.16Å; I759-E764 WeakPolarHBondContact CG2-OE2 3.38Å; S760-E764 PolarHBondContact O-N 2.64Å; I761-E764 PolarHBondContact O-N 3.16Å; E762-E764 PolarHBondContact O-N 2.81Å; E764-M767 HydrophobicContact CG-CE 4.45Å; E764-M767 WeakPolarHBondContact O-CB 3.23Å; E764-M767 PolarHBondContact O-N 3.44Å; E764-G768 PolarHBondContact O-N 3.43Å
765	L	58.5	Low	63.5	Low	81 Å²	81	52.6 Å²	52.6	42%	0.424	27%	0.274	S	S	.	.	H	α-helix	trans	-74.4	-37.3	174.8	-70.5	171.4	0	0	0	113.1	K27 I761 E762 M767 G768 T769	K27-L765 HydrophobicContact CD-CD1 4.05Å; K27-L765 VanDerWaalsContact NZ-CD1 3.3Å; I761-L765 HydrophobicContact CG2-CD1 3.49Å; I761-L765 VanDerWaalsContact CG2-CD1 3.49Å; I761-L765 HydrophobicContact CG2-CG 4.04Å; I761-L765 VanDerWaalsContact O-CB 3.3Å; I761-L765 WeakPolarHBondContact O-CB 3.36Å; I761-L765 WeakPolarHBondContact O-CG 3.41Å; I761-L765 PolarHBondContact O-N 2.86Å; E762-L765 PolarHBondContact O-N 3.28Å; L765-M767 PolarHBondContact O-N 2.79Å; L765-G768 CarbonylContact O-C 3.55Å; L765-G768 VanDerWaalsContact O-C 3.32Å; L765-G768 WeakPolarHBondContact O-CA 3.47Å; L765-G768 PolarHBondContact O-N 2.73Å; L765-T769 WeakPolarHBondContact O-CG2 3.14Å; L765-T769 PolarHBondContact O-N 2.84Å
766	E	62.4	Low	63.5	Low	131 Å²	131	51.3 Å²	51.3	61%	0.612	27%	0.268	S	S	*	.	H	α-helix	trans	-61.3	-33.3	170.6	-80.4	-179.2	-172.4	0	0	110.7	E762 T769	E762-E766 VanDerWaalsContact O-CB 3.24Å; E762-E766 WeakPolarHBondContact O-CB 3.35Å; E762-E766 VanDerWaalsContact O-CG 3.25Å; E762-E766 WeakPolarHBondContact O-CG 3.37Å; E762-E766 PolarHBondContact O-N 3.11Å; E766-T769 WeakPolarHBondContact O-CG2 3.33Å; E766-T769 PolarHBondContact O-OG1 3.02Å
767	M	66.4	Low	64	Low	17 Å²	17	52.8 Å²	52.8	8%	0.084	27%	0.272	C	S	.	.	H	α-helix	trans	-72.7	-36.3	169.4	-78.8	-167.3	-45.8	0	0	112.3	L461 Q478 Y733 F754 I759 E763 E764 L765 T769	L461-M767 HydrophobicContact CD1-CE 4.3Å; Q478-M767 PolarHBondContact NE2-O 3.42Å; Q478-M767 PolarHBondContact OE1-O 2.79Å; Y733-M767 HydrophobicContact CD1-CE 3.29Å; Y733-M767 HydrophobicContact CD1-SD 4.09Å; Y733-M767 HydrophobicContact CE1-CE 3.63Å; Y733-M767 HydrophobicContact CG-CE 3.87Å; Y733-M767 HydrophobicContact CG-SD 4.31Å; F754-M767 HydrophobicContact CZ-SD 4.12Å; I759-M767 HydrophobicContact CD1-CE 3.05Å; I759-M767 HydrophobicContact CD1-SD 4.45Å; E763-M767 WeakPolarHBondContact O-CB 3.38Å; E763-M767 VanDerWaalsContact O-CG 3.3Å; E763-M767 WeakPolarHBondContact O-CG 3.42Å; E763-M767 PolarHBondContact O-N 3.47Å; E763-M767 VanDerWaalsContact O-N 3.09Å; E764-M767 HydrophobicContact CG-CE 4.45Å; E764-M767 WeakPolarHBondContact O-CB 3.23Å; E764-M767 PolarHBondContact O-N 3.44Å; L765-M767 PolarHBondContact O-N 2.79Å; M767-T769 VanDerWaalsContact C-N 3.3Å; M767-T769 PolarHBondContact O-N 2.97Å
768	G	56.1	Low	64.9	Low	33 Å²	33	42.7 Å²	42.7	34%	0.34	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	7	175.5	0	0	0	0	0	116.2	E764 L765	E764-G768 PolarHBondContact O-N 3.43Å; L765-G768 CarbonylContact O-C 3.55Å; L765-G768 VanDerWaalsContact O-C 3.32Å; L765-G768 WeakPolarHBondContact O-CA 3.47Å; L765-G768 PolarHBondContact O-N 2.73Å
769	T	57	Low	65.8	Low	49 Å²	49	42.9 Å²	42.9	30%	0.301	24%	0.237	S	C	.	.			trans	-60.8	138.6	-170.5	50.1	0	0	0	0	113.3	L765 E766 M767 D771 I772	L765-T769 WeakPolarHBondContact O-CG2 3.14Å; L765-T769 PolarHBondContact O-N 2.84Å; E766-T769 WeakPolarHBondContact O-CG2 3.33Å; E766-T769 PolarHBondContact O-OG1 3.02Å; M767-T769 VanDerWaalsContact C-N 3.3Å; M767-T769 PolarHBondContact O-N 2.97Å; T769-D771 VanDerWaalsContact C-N 3.3Å; T769-D771 PolarHBondContact O-N 3.14Å; T769-I772 WeakPolarHBondContact O-CG1 3.48Å
770	V	52.9	Low	66.1	Low	135 Å²	135	46.5 Å²	46.5	82%	0.818	26%	0.256	S	S	*	.	S	Bend	trans	-64.8	-25.8	-174.9	-178.3	0	0	0	0	113.8
771	D	66.9	Low	67	Low	61 Å²	61	46 Å²	46	33%	0.326	25%	0.253	S	S	.	.			trans	-119.2	78.1	178.2	-162.2	-17.9	0	0	0	111.6	T769 C773 D774 S775	T769-D771 VanDerWaalsContact C-N 3.3Å; T769-D771 PolarHBondContact O-N 3.14Å; D771-C773 VanDerWaalsContact C-N 3.28Å; D771-C773 PolarHBondContact OD1-N 3.36Å; D771-D774 HydrophobicContact CB-CB 4.5Å; D771-D774 PolarHBondContact OD1-N 3.08Å; D771-S775 WeakPolarHBondContact O-CB 3.45Å; D771-S775 PolarHBondContact O-N 3.48Å; D771-S775 PolarHBondContact O-OG 2.84Å
772	I	76.1	Confident	68.3	Low	1 Å²	1	48.9 Å²	48.9	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-65.4	-35.6	176.8	-50.2	177	0	0	0	110.5	A462 I476 T769 S775 W776	A462-I772 HydrophobicContact CB-CD1 3.56Å; A462-I772 HydrophobicContact CB-CG1 4.33Å; I476-I772 HydrophobicContact CB-CG2 3.76Å; I476-I772 HydrophobicContact CD1-CG2 4.02Å; I476-I772 HydrophobicContact CG1-CG2 4.5Å; I476-I772 HydrophobicContact CG2-CG2 3.41Å; I476-I772 VanDerWaalsContact CG2-CG2 3.41Å; T769-I772 WeakPolarHBondContact O-CG1 3.48Å; I772-S775 WeakPolarHBondContact CA-OG 3.16Å; I772-S775 PolarHBondContact O-N 3.28Å; I772-S775 PolarHBondContact O-OG 2.96Å; I772-W776 HydrophobicContact CG2-CD2 3.96Å; I772-W776 HydrophobicContact CG2-CG 3.86Å; I772-W776 VanDerWaalsContact O-CB 3.27Å; I772-W776 WeakPolarHBondContact O-CB 3.25Å; I772-W776 PolarHBondContact O-N 2.97Å
773	C	82.9	Confident	69.7	Low	1 Å²	1	48 Å²	48	1%	0.007	26%	0.26	C	S	.	.	H	α-helix	trans	-62.9	-46.9	-175.4	-58	0	0	0	0	111.7	C466 D771 Y784	C466-C773 VanDerWaalsContact CA-SG 3.54Å; C466-C773 HydrophobicContact CB-CB 3.76Å; C466-C773 WeakPolarHBondContact CB-SG 3.41Å; C466-C773 WeakPolarHBondContact SG-CA 3.47Å; C466-C773 WeakPolarHBondContact SG-CB 3.37Å; C466-C773 CovalentContact SG-SG 2.03Å; C466-C773 PolarHBondContact SG-SG 2.78Å; D771-C773 VanDerWaalsContact C-N 3.28Å; D771-C773 PolarHBondContact OD1-N 3.36Å; C773-Y784 VanDerWaalsContact O-CE1 3.29Å; C773-Y784 WeakPolarHBondContact O-CE1 2.92Å
774	D	74.2	Confident	70.9	Confident	65 Å²	65	46.8 Å²	46.8	35%	0.348	25%	0.254	S	S	.	.	H	α-helix	trans	-70.1	-48.4	177.2	-172.2	56.1	0	0	0	111.5	D771 W776 R777	D771-D774 HydrophobicContact CB-CB 4.5Å; D771-D774 PolarHBondContact OD1-N 3.08Å; D774-W776 VanDerWaalsContact C-N 3.29Å; D774-W776 PolarHBondContact O-N 2.79Å; D774-R777 WeakPolarHBondContact O-CB 3.46Å; D774-R777 PolarHBondContact O-N 3.23Å
775	S	72.7	Confident	72.1	Confident	42 Å²	42	46.8 Å²	46.8	29%	0.294	25%	0.252	S	S	.	.	H	α-helix	trans	-67.4	-26.7	-172.2	57.1	0	0	0	0	114.1	D771 I772 K787	D771-S775 WeakPolarHBondContact O-CB 3.45Å; D771-S775 PolarHBondContact O-N 3.48Å; D771-S775 PolarHBondContact O-OG 2.84Å; I772-S775 WeakPolarHBondContact CA-OG 3.16Å; I772-S775 PolarHBondContact O-N 3.28Å; I772-S775 PolarHBondContact O-OG 2.96Å; S775-K787 WeakPolarHBondContact O-CE 3.38Å; S775-K787 PolarHBondContact O-NZ 3.23Å
776	W	81.5	Confident	73.5	Confident	7 Å²	7	43 Å²	43	3%	0.027	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-1.4	-177.5	-70.4	43.3	0	0	0	113.6	I476 Q478 S735 I737 I772 D774 Y778 Y784 R785 L786 K787	I476-W776 HydrophobicContact CD1-CB 4.26Å; I476-W776 HydrophobicContact CG2-CD2 4.24Å; I476-W776 HydrophobicContact CG2-CE3 3.75Å; I476-W776 HydrophobicContact CG2-CZ3 4.02Å; Q478-W776 HydrophobicContact CG-CH2 4.49Å; Q478-W776 HydrophobicContact CG-CZ2 4.33Å; S735-W776 WeakPolarHBondContact OG-CH2 3.38Å; I737-W776 HydrophobicContact CD1-CE3 4.22Å; I772-W776 HydrophobicContact CG2-CD2 3.96Å; I772-W776 HydrophobicContact CG2-CG 3.86Å; I772-W776 VanDerWaalsContact O-CB 3.27Å; I772-W776 WeakPolarHBondContact O-CB 3.25Å; I772-W776 PolarHBondContact O-N 2.97Å; D774-W776 VanDerWaalsContact C-N 3.29Å; D774-W776 PolarHBondContact O-N 2.79Å; W776-Y778 PolarHBondContact O-N 3.39Å; W776-Y784 WeakPolarHBondContact O-CA 3.37Å; W776-R785 WeakPolarHBondContact O-CG 3.36Å; W776-R785 PolarHBondContact O-N 3.36Å; W776-L786 HydrophobicContact CZ3-CB 4.39Å; W776-L786 HydrophobicContact CZ3-CD2 3.92Å; W776-K787 HydrophobicContact CD2-CB 4.16Å; W776-K787 HydrophobicContact CD2-CG 3.8Å; W776-K787 VanDerWaalsContact CE2-CG 3.49Å; W776-K787 HydrophobicContact CG-CG 3.82Å; W776-K787 HydrophobicContact CH2-CB 4.07Å; W776-K787 HydrophobicContact CZ2-CB 3.54Å; W776-K787 HydrophobicContact CZ2-CG 4.01Å
777	R	81.4	Confident	74.5	Confident	50 Å²	50	40.8 Å²	40.8	19%	0.189	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-58.1	136	178.7	-166.1	177.6	179.1	141.6	-1.1	111.6	E425 D774 N780 T781	E425-R777 IonicContact OE1-CZ 2.89Å; E425-R777 IonicContact OE1-NH1 3.94Å; E425-R777 PolarHBondContact OE1-NH1 2.96Å; E425-R777 IonicContact OE1-NH2 3.05Å; E425-R777 IonicContact OE2-CZ 3.68Å; E425-R777 IonicContact OE2-NH1 3.67Å; E425-R777 PolarHBondContact OE2-NH1 3.41Å; D774-R777 WeakPolarHBondContact O-CB 3.46Å; D774-R777 PolarHBondContact O-N 3.23Å; R777-N780 PolarHBondContact NH2-O 2.91Å; R777-T781 VanDerWaalsContact CG-O 3.24Å; R777-T781 WeakPolarHBondContact CG-O 3.37Å; R777-T781 PolarHBondContact NE-O 3.48Å; R777-T781 PolarHBondContact NH2-O 3.06Å
778	Y	81.6	Confident	75.2	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.223	C	C	.	.			trans	-91.4	107.1	173.9	178.2	-114	0	0	0	109.9	W776 T781 F783 Y807 I837 G841 M842 N941	W776-Y778 PolarHBondContact O-N 3.39Å; Y778-T781 HydrophobicContact CD1-CG2 4.39Å; Y778-T781 WeakPolarHBondContact O-CB 3.34Å; Y778-T781 PolarHBondContact O-N 3.46Å; Y778-T781 VanDerWaalsContact O-N 3.16Å; Y778-T781 PolarHBondContact O-OG1 3.17Å; Y778-F783 PolarHBondContact N-O 2.99Å; Y778-Y807 HydrophobicContact CE1-CD1 4.06Å; Y778-Y807 HydrophobicContact CE1-CE1 4.22Å; Y778-Y807 HydrophobicContact CE1-CG 4.42Å; Y778-I837 HydrophobicContact CD1-CD1 3.95Å; Y778-I837 HydrophobicContact CD2-CD1 4.08Å; Y778-I837 HydrophobicContact CD2-CG2 4.36Å; Y778-I837 HydrophobicContact CE1-CD1 4.27Å; Y778-I837 HydrophobicContact CE2-CD1 4.4Å; Y778-I837 HydrophobicContact CE2-CG2 4.25Å; Y778-I837 HydrophobicContact CG-CD1 3.84Å; Y778-G841 WeakPolarHBondContact OH-CA 3.36Å; Y778-M842 HydrophobicContact CE1-CG 3.88Å; Y778-M842 PolarHBondContact OH-N 3.19Å; Y778-N941 PolarHBondContact OH-O 2.96Å
779	S	72	Confident	76.2	Confident	35 Å²	35	40.8 Å²	40.8	25%	0.245	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	-145.8	-179.5	-157.1	0	0	0	0	112.2	T781 M842 N941	S779-T781 PolarHBondContact O-N 3.46Å; S779-M842 VanDerWaalsContact CB-SD 3.55Å; S779-M842 PolarHBondContact OG-SD 3.24Å; S779-N941 WeakPolarHBondContact CB-OD1 3.35Å; S779-N941 PolarHBondContact OG-OD1 3.12Å
780	N	66	Low	76.9	Confident	83 Å²	83	47.2 Å²	47.2	44%	0.444	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	13.9	173.5	64.6	-12.8	0	0	0	113.7	R777	R777-N780 PolarHBondContact NH2-O 2.91Å
781	T	73.4	Confident	77.8	Confident	9 Å²	9	48.2 Å²	48.2	6%	0.055	23%	0.226	C	C	.	.	S	Bend	trans	-87.6	162.3	-179.3	77.5	0	0	0	0	111.5	R777 Y778 S779 F783 M842	R777-T781 VanDerWaalsContact CG-O 3.24Å; R777-T781 WeakPolarHBondContact CG-O 3.37Å; R777-T781 PolarHBondContact NE-O 3.48Å; R777-T781 PolarHBondContact NH2-O 3.06Å; Y778-T781 HydrophobicContact CD1-CG2 4.39Å; Y778-T781 WeakPolarHBondContact O-CB 3.34Å; Y778-T781 PolarHBondContact O-N 3.46Å; Y778-T781 VanDerWaalsContact O-N 3.16Å; Y778-T781 PolarHBondContact O-OG1 3.17Å; S779-T781 PolarHBondContact O-N 3.46Å; T781-F783 PolarHBondContact O-N 2.69Å; T781-F783 WeakPolarHBondContact OG1-CB 3.39Å; T781-F783 PolarHBondContact OG1-N 2.69Å; T781-F783 VanDerWaalsContact OG1-N 3.16Å; T781-M842 HydrophobicContact CG2-CG 4.32Å; T781-M842 HydrophobicContact CG2-SD 3.69Å
782	K	75.8	Confident	78.5	Confident	85 Å²	85	46.8 Å²	46.8	37%	0.37	22%	0.217	S	C	.	.	S	Bend	trans	-89.4	34.4	166.2	-54.5	-177.8	177.6	-178.5	0	111.9	A468 Q469	A468-K782 VanDerWaalsContact O-CD 3.27Å; A468-K782 WeakPolarHBondContact O-CD 3.43Å; Q469-K782 HydrophobicContact CB-CB 4.44Å; Q469-K782 HydrophobicContact CG-CB 3.7Å; Q469-K782 HydrophobicContact CG-CG 4.43Å; Q469-K782 PolarHBondContact N-O 2.89Å
783	F	81.7	Confident	78.8	Confident	47 Å²	47	48 Å²	48	21%	0.206	23%	0.226	C	C	.	.			trans	-107.7	151.5	173.4	-108.3	-98.5	0	0	0	109.6	Q469 Y778 T781 Y807	Q469-F783 HydrophobicContact CG-CD2 4.4Å; Y778-F783 PolarHBondContact N-O 2.99Å; T781-F783 PolarHBondContact O-N 2.69Å; T781-F783 WeakPolarHBondContact OG1-CB 3.39Å; T781-F783 PolarHBondContact OG1-N 2.69Å; T781-F783 VanDerWaalsContact OG1-N 3.16Å; F783-Y807 HydrophobicContact CB-CD2 4.1Å; F783-Y807 HydrophobicContact CB-CE2 4.13Å; F783-Y807 AromaticContact CD1-CD2 3.67Å; F783-Y807 HydrophobicContact CD1-CD2 3.67Å; F783-Y807 HydrophobicContact CD1-CE2 4.31Å; F783-Y807 AromaticContact CD2-CD2 3.84Å; F783-Y807 HydrophobicContact CD2-CD2 3.84Å; F783-Y807 AromaticContact CD2-CE2 3.64Å; F783-Y807 HydrophobicContact CD2-CE2 3.64Å; F783-Y807 AromaticContact CE1-CD2 3.95Å; F783-Y807 HydrophobicContact CE1-CD2 3.95Å; F783-Y807 HydrophobicContact CE2-CD2 4.11Å; F783-Y807 HydrophobicContact CE2-CE2 4.05Å; F783-Y807 AromaticContact CG-CD2 3.6Å; F783-Y807 HydrophobicContact CG-CD2 3.6Å; F783-Y807 AromaticContact CG-CE2 3.78Å; F783-Y807 HydrophobicContact CG-CE2 3.78Å; F783-Y807 HydrophobicContact CZ-CD2 4.16Å
784	Y	87.3	Confident	78.9	Confident	3 Å²	3	51 Å²	51	1%	0.012	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-120	142.4	-176.1	-54.1	-76.5	0	0	0	110.5	C466 K467 H474 I476 C773 W776	C466-Y784 HydrophobicContact CB-CE1 4.15Å; C466-Y784 HydrophobicContact CB-CE2 3.87Å; C466-Y784 VanDerWaalsContact CB-CZ 3.49Å; C466-Y784 VanDerWaalsContact CB-OH 3.23Å; C466-Y784 WeakPolarHBondContact CB-OH 2.86Å; K467-Y784 PolarHBondContact O-OH 2.92Å; H474-Y784 HydrophobicContact CB-CD2 4.12Å; H474-Y784 HydrophobicContact CB-CE2 3.99Å; H474-Y784 AromaticContact ND1-CD2 3.68Å; H474-Y784 AromaticContact ND1-CE2 3.89Å; I476-Y784 HydrophobicContact CD1-CD1 3.79Å; I476-Y784 HydrophobicContact CD1-CD2 4.28Å; I476-Y784 HydrophobicContact CD1-CE1 4.4Å; I476-Y784 HydrophobicContact CD1-CG 3.74Å; C773-Y784 VanDerWaalsContact O-CE1 3.29Å; C773-Y784 WeakPolarHBondContact O-CE1 2.92Å; W776-Y784 WeakPolarHBondContact O-CA 3.37Å
785	R	87.3	Confident	79.3	Confident	48 Å²	48	51.1 Å²	51.1	18%	0.181	24%	0.242	C	C	.	.			trans	-112	154.1	173.7	61.3	171.9	174.1	-176.7	-2	110.5	W776 K787 I837	W776-R785 WeakPolarHBondContact O-CG 3.36Å; W776-R785 PolarHBondContact O-N 3.36Å; R785-K787 PolarHBondContact O-N 2.9Å; R785-I837 HydrophobicContact CB-CB 3.92Å; R785-I837 HydrophobicContact CB-CD1 4.45Å; R785-I837 HydrophobicContact CB-CG2 4.26Å
786	L	88.6	Confident	79.5	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.264	C	S	.	.			trans	-71.6	127	173.8	-61.7	170.8	0	0	0	109.6	I737 I752 W776 P804 G836	I737-L786 HydrophobicContact CD1-CD2 3.6Å; I737-L786 HydrophobicContact CD1-CG 4.15Å; I737-L786 HydrophobicContact CG1-CD2 3.77Å; I752-L786 HydrophobicContact CB-CD1 3.88Å; I752-L786 HydrophobicContact CG2-CB 4.2Å; I752-L786 HydrophobicContact CG2-CD1 4.1Å; I752-L786 HydrophobicContact CG2-CD2 4.25Å; I752-L786 HydrophobicContact CG2-CG 4.42Å; W776-L786 HydrophobicContact CZ3-CB 4.39Å; W776-L786 HydrophobicContact CZ3-CD2 3.92Å; L786-P804 HydrophobicContact CD1-CB 4.3Å; L786-G836 PolarHBondContact N-O 3.46Å; L786-G836 WeakPolarHBondContact O-CA 3.11Å
787	K	82.7	Confident	79.4	Confident	86 Å²	86	53.9 Å²	53.9	37%	0.374	27%	0.27	S	S	.	.			trans	-74.5	131.5	170.7	-75.1	-73.3	-175.8	166.5	0	110.5	S775 W776 R785	S775-K787 WeakPolarHBondContact O-CE 3.38Å; S775-K787 PolarHBondContact O-NZ 3.23Å; W776-K787 HydrophobicContact CD2-CB 4.16Å; W776-K787 HydrophobicContact CD2-CG 3.8Å; W776-K787 VanDerWaalsContact CE2-CG 3.49Å; W776-K787 HydrophobicContact CG-CG 3.82Å; W776-K787 HydrophobicContact CH2-CB 4.07Å; W776-K787 HydrophobicContact CZ2-CB 3.54Å; W776-K787 HydrophobicContact CZ2-CG 4.01Å; R785-K787 PolarHBondContact O-N 2.9Å
788	I	80.9	Confident	79.2	Confident	26 Å²	26	62.1 Å²	62.1	13%	0.133	30%	0.301	C	S	.	.			trans	-116.5	124.4	177.9	-49.7	-177.8	0	0	0	107.8	I752 K790 K792 F799 Y802 R834	I752-I788 HydrophobicContact CD1-CD1 4.14Å; I752-I788 HydrophobicContact CD1-CG1 3.79Å; I752-I788 HydrophobicContact CD1-CG2 4.44Å; I788-K790 PolarHBondContact O-N 2.85Å; I788-K792 HydrophobicContact CG2-CB 3.9Å; I788-F799 HydrophobicContact CG2-CZ 4.01Å; I788-Y802 HydrophobicContact CD1-CE2 3.56Å; I788-R834 HydrophobicContact CD1-CB 3.46Å; I788-R834 VanDerWaalsContact CD1-CB 3.46Å
789	P	76.8	Confident	79.3	Confident	24 Å²	24	64.1 Å²	64.1	16%	0.156	31%	0.309	C	S	.	.			trans	-54.9	140.4	171.5	-26	34.4	0	0	0	110.8	F754 R791 K792 S793	F754-P789 HydrophobicContact CE1-CG 4.42Å; F754-P789 HydrophobicContact CE2-CG 4.01Å; F754-P789 HydrophobicContact CZ-CG 3.66Å; P789-R791 PolarHBondContact O-N 3.46Å; P789-K792 WeakPolarHBondContact O-CA 3.21Å; P789-K792 PolarHBondContact O-N 3.16Å; P789-S793 PolarHBondContact O-N 3.38Å
790	K	72.2	Confident	79.9	Confident	183 Å²	183	64 Å²	64	80%	0.796	31%	0.307	S	S	*	.	H	α-helix	trans	-54.4	-31.2	-177.2	-171.2	176.7	179.3	-179.9	0	112.9	I788 K792 S793	I788-K790 PolarHBondContact O-N 2.85Å; K790-K792 PolarHBondContact O-N 2.94Å; K790-S793 PolarHBondContact O-OG 3.11Å
791	R	72.9	Confident	81	Confident	156 Å²	156	61 Å²	61	59%	0.589	29%	0.291	S	S	*	.	H	α-helix	trans	-71.2	-15.8	177.4	-53.6	-179.6	95.2	171	10.2	113.8	E763 P789	E763-R791 WeakPolarHBondContact OE1-CD 3.24Å; P789-R791 PolarHBondContact O-N 3.46Å
792	K	80.8	Confident	81.9	Confident	32 Å²	32	62.6 Å²	62.6	14%	0.139	30%	0.296	C	S	.	.	H	α-helix	trans	-111.6	-5.3	-178.4	-70.5	-66.9	-169.6	171.5	0	113.4	F754 Q755 L756 I788 P789 K790 S794 A797 F799	F754-K792 HydrophobicContact CD2-CG 4.16Å; F754-K792 HydrophobicContact CG-CG 4.44Å; Q755-K792 WeakPolarHBondContact O-CE 3.45Å; Q755-K792 PolarHBondContact O-NZ 2.85Å; L756-K792 VanDerWaalsContact CD2-CE 3.46Å; L756-K792 HydrophobicContact CD2-CG 4.34Å; I788-K792 HydrophobicContact CG2-CB 3.9Å; P789-K792 WeakPolarHBondContact O-CA 3.21Å; P789-K792 PolarHBondContact O-N 3.16Å; K790-K792 PolarHBondContact O-N 2.94Å; K792-S794 PolarHBondContact O-N 3.17Å; K792-A797 HydrophobicContact CD-CB 4.13Å; K792-A797 WeakPolarHBondContact O-CB 3.5Å; K792-F799 HydrophobicContact CB-CE1 4.39Å; K792-F799 HydrophobicContact CB-CZ 3.81Å; K792-F799 VanDerWaalsContact O-CE2 3.27Å; K792-F799 WeakPolarHBondContact O-CE2 3.39Å; K792-F799 WeakPolarHBondContact O-CZ 2.94Å
793	S	82.8	Confident	82.5	Confident	26 Å²	26	60.7 Å²	60.7	18%	0.182	29%	0.29	C	S	.	.	H	α-helix	trans	-66.6	-35.3	179.1	63.6	0	0	0	0	112.5	P789 K790 W795 G833 R834	P789-S793 PolarHBondContact O-N 3.38Å; K790-S793 PolarHBondContact O-OG 3.11Å; S793-W795 PolarHBondContact O-N 3.34Å; S793-G833 CarbonylContact O-C 3.44Å; S793-G833 VanDerWaalsContact O-CA 3.28Å; S793-G833 WeakPolarHBondContact O-CA 3.5Å; S793-R834 WeakPolarHBondContact O-CB 3.05Å; S793-R834 PolarHBondContact O-N 2.95Å
794	S	83.7	Confident	83	Confident	63 Å²	63	58.6 Å²	58.6	44%	0.441	28%	0.281	S	S	.	.	S	Bend	trans	-51.3	136.2	179.7	174.8	0	0	0	0	112.8	K792 A796 A797 R834	K792-S794 PolarHBondContact O-N 3.17Å; S794-A796 PolarHBondContact O-N 2.03Å; S794-A796 VanDerWaalsContact O-N 3.13Å; S794-A796 PolarHBondContact OG-N 3.17Å; S794-A797 WeakPolarHBondContact O-CB 3.32Å; S794-A797 PolarHBondContact O-N 3.18Å; S794-R834 PolarHBondContact O-NH1 3.29Å
795	W	83.7	Confident	83.1	Confident	68 Å²	68	58.7 Å²	58.7	26%	0.258	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-31.2	176.8	-71.7	108.8	0	0	0	113.7	S793 A797 L829 N830 R834 D944	S793-W795 PolarHBondContact O-N 3.34Å; W795-A797 PolarHBondContact O-N 2.68Å; W795-L829 HydrophobicContact CD2-CB 4.42Å; W795-L829 HydrophobicContact CD2-CD1 4.21Å; W795-L829 HydrophobicContact CD2-CD2 4.38Å; W795-L829 HydrophobicContact CE3-CD1 4.42Å; W795-L829 HydrophobicContact CE3-CD2 4.25Å; W795-L829 HydrophobicContact CH2-CD2 3.65Å; W795-L829 HydrophobicContact CZ2-CB 4.02Å; W795-L829 HydrophobicContact CZ2-CD2 3.76Å; W795-L829 HydrophobicContact CZ2-CG 4.4Å; W795-L829 HydrophobicContact CZ3-CD2 3.9Å; W795-N830 PolarHBondContact NE1-O 3.16Å; W795-R834 VanDerWaalsContact CA-NH1 3.33Å; W795-R834 HydrophobicContact CD2-CG 4.24Å; W795-R834 HydrophobicContact CE3-CG 3.84Å; W795-R834 HydrophobicContact CH2-CG 3.78Å; W795-R834 HydrophobicContact CZ2-CG 4.19Å; W795-R834 HydrophobicContact CZ3-CG 3.6Å; W795-R834 PolarHBondContact O-NH1 3.11Å; W795-R834 PolarHBondContact O-NH2 2.87Å; W795-D944 HydrophobicContact CH2-CB 3.96Å; W795-D944 HydrophobicContact CZ2-CB 4.26Å
796	A	77.4	Confident	82.9	Confident	90 Å²	90	59.1 Å²	59.1	74%	0.744	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-17.3	175.8	0	0	0	0	0	113.7	S794 R798	S794-A796 PolarHBondContact O-N 2.03Å; S794-A796 VanDerWaalsContact O-N 3.13Å; S794-A796 PolarHBondContact OG-N 3.17Å; A796-R798 PolarHBondContact O-N 2.8Å
797	A	79.3	Confident	82.5	Confident	18 Å²	18	60.8 Å²	60.8	15%	0.149	30%	0.296	C	S	.	.	S	Bend	trans	-65.7	130.5	177.9	0	0	0	0	0	111	K792 S794 W795 F799 R834	K792-A797 HydrophobicContact CD-CB 4.13Å; K792-A797 WeakPolarHBondContact O-CB 3.5Å; S794-A797 WeakPolarHBondContact O-CB 3.32Å; S794-A797 PolarHBondContact O-N 3.18Å; W795-A797 PolarHBondContact O-N 2.68Å; A797-F799 HydrophobicContact CB-CE2 4.16Å; A797-F799 WeakPolarHBondContact O-CD2 3.25Å; A797-R834 PolarHBondContact O-NH1 3.41Å
798	R	77.4	Confident	82.1	Confident	223 Å²	223	58.4 Å²	58.4	84%	0.842	29%	0.288	S	S	*	.			trans	-81.8	129.9	177.4	-66.9	-175.9	179.8	174.4	0.2	111.3	A796	A796-R798 PolarHBondContact O-N 2.8Å
799	F	82.5	Confident	81.2	Confident	41 Å²	41	60.1 Å²	60.1	18%	0.18	30%	0.302	C	S	.	.			trans	-109.1	150.1	171.8	-74.2	-90.6	0	0	0	110.6	I752 F754 I788 K792 A797 Y802	I752-F799 HydrophobicContact CD1-CD1 3.87Å; I752-F799 HydrophobicContact CD1-CE1 3.29Å; I752-F799 HydrophobicContact CD1-CZ 4.06Å; I752-F799 HydrophobicContact CG1-CD1 3.61Å; I752-F799 HydrophobicContact CG1-CE1 3.57Å; F754-F799 HydrophobicContact CB-CD1 3.65Å; F754-F799 HydrophobicContact CB-CE1 3.74Å; F754-F799 HydrophobicContact CD1-CD1 4.3Å; F754-F799 AromaticContact CD1-CE1 3.87Å; F754-F799 HydrophobicContact CD1-CE1 3.87Å; F754-F799 HydrophobicContact CG-CD1 4.42Å; F754-F799 HydrophobicContact CG-CE1 4.1Å; I788-F799 HydrophobicContact CG2-CZ 4.01Å; K792-F799 HydrophobicContact CB-CE1 4.39Å; K792-F799 HydrophobicContact CB-CZ 3.81Å; K792-F799 VanDerWaalsContact O-CE2 3.27Å; K792-F799 WeakPolarHBondContact O-CE2 3.39Å; K792-F799 WeakPolarHBondContact O-CZ 2.94Å; A797-F799 HydrophobicContact CB-CE2 4.16Å; A797-F799 WeakPolarHBondContact O-CD2 3.25Å; F799-Y802 HydrophobicContact CD1-CD2 4.4Å; F799-Y802 HydrophobicContact CE1-CD2 4.49Å
800	V	85.2	Confident	80.1	Confident	32 Å²	32	62.7 Å²	62.7	19%	0.194	32%	0.321	C	S	.	.	S	Bend	trans	-79	-41.4	167.3	-172.2	0	0	0	0	109.3	L449 F455 V732 C753 Q755	L449-V800 HydrophobicContact CD2-CB 4.46Å; L449-V800 HydrophobicContact CD2-CG1 3.62Å; F455-V800 HydrophobicContact CE1-CG1 3.84Å; F455-V800 HydrophobicContact CZ-CG1 3.53Å; V732-V800 HydrophobicContact CG1-CG2 4.21Å; V732-V800 HydrophobicContact CG2-CG2 4.28Å; C753-V800 HydrophobicContact CB-CB 4Å; C753-V800 WeakPolarHBondContact O-CA 3.37Å; C753-V800 WeakPolarHBondContact O-CB 3.19Å; C753-V800 PolarHBondContact O-N 3.1Å; Q755-V800 HydrophobicContact CB-CG2 4.31Å
801	L	89.8	Confident	78.9	Confident	22 Å²	22	56 Å²	56	12%	0.115	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	137.5	172.4	178.7	62.7	0	0	0	108.4	L445 K448 L449 A751 I752 C753 D803	L445-L801 HydrophobicContact CD2-CD2 3.84Å; K448-L801 HydrophobicContact CB-CD1 4.17Å; K448-L801 HydrophobicContact CB-CD2 4.01Å; L449-L801 HydrophobicContact CD2-CB 3.93Å; L449-L801 HydrophobicContact CD2-CD2 4.47Å; A751-L801 HydrophobicContact CB-CD2 3.76Å; I752-L801 CarbonylContact C-O 3.48Å; I752-L801 WeakPolarHBondContact CA-O 3.25Å; C753-L801 HydrophobicContact CB-CB 3.81Å; C753-L801 PolarHBondContact N-O 2.89Å; C753-L801 PolarHBondContact O-N 3.33Å; C753-L801 VanDerWaalsContact O-O 3.13Å; L801-D803 HydrophobicContact CD1-CB 4.24Å
802	Y	90.4	Very high	77.6	Confident	41 Å²	41	58.8 Å²	58.8	16%	0.161	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	98.6	169.6	-175.6	-110.1	0	0	0	107.9	I752 I788 F799 P804 R834 G836 D944	I752-Y802 HydrophobicContact CB-CD2 4.44Å; I752-Y802 HydrophobicContact CD1-CD2 3.63Å; I752-Y802 HydrophobicContact CD1-CE2 3.85Å; I752-Y802 HydrophobicContact CG1-CD2 3.83Å; I752-Y802 HydrophobicContact CG1-CE2 4.48Å; I788-Y802 HydrophobicContact CD1-CE2 3.56Å; F799-Y802 HydrophobicContact CD1-CD2 4.4Å; F799-Y802 HydrophobicContact CE1-CD2 4.49Å; Y802-P804 HydrophobicContact CD1-CG 4.37Å; Y802-P804 HydrophobicContact CE1-CG 3.73Å; Y802-P804 HydrophobicContact CE2-CB 4.38Å; Y802-P804 HydrophobicContact CE2-CG 4.41Å; Y802-R834 HydrophobicContact CE1-CB 4.38Å; Y802-R834 HydrophobicContact CE1-CG 3.88Å; Y802-R834 HydrophobicContact CE2-CB 4.36Å; Y802-G836 WeakPolarHBondContact OH-CA 3.32Å; Y802-G836 PolarHBondContact OH-N 3.18Å; Y802-D944 WeakPolarHBondContact CE1-OD2 3.17Å; Y802-D944 VanDerWaalsContact CZ-OD2 3.25Å; Y802-D944 PolarHBondContact OH-OD1 3.26Å; Y802-D944 PolarHBondContact OH-OD2 3.17Å
803	D	90.1	Very high	75.6	Confident	46 Å²	46	65.1 Å²	65.1	25%	0.246	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	73.6	-177.7	-170	21.1	0	0	0	108.5	M748 G750 A751 L801	M748-D803 HydrophobicContact CE-CB 4.34Å; M748-D803 WeakPolarHBondContact CE-OD2 3.31Å; G750-D803 CarbonylContact C-O 3.51Å; G750-D803 WeakPolarHBondContact CA-O 3.3Å; A751-D803 PolarHBondContact N-O 3.31Å; A751-D803 CarbonylContact O-C 3.59Å; A751-D803 WeakPolarHBondContact O-CA 3.31Å; A751-D803 PolarHBondContact O-N 3.03Å; L801-D803 HydrophobicContact CD1-CB 4.24Å
804	P	91.3	Very high	73.7	Confident	2 Å²	2	70 Å²	70	1%	0.013	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-71.5	153.5	-175.1	31.1	-37.3	0	0	0	112.7	L786 Y802 V838	L786-P804 HydrophobicContact CD1-CB 4.3Å; Y802-P804 HydrophobicContact CD1-CG 4.37Å; Y802-P804 HydrophobicContact CE1-CG 3.73Å; Y802-P804 HydrophobicContact CE2-CB 4.38Å; Y802-P804 HydrophobicContact CE2-CG 4.41Å; P804-V838 HydrophobicContact CB-CG1 4.4Å; P804-V838 HydrophobicContact CG-CB 4.38Å; P804-V838 HydrophobicContact CG-CG1 3.41Å; P804-V838 VanDerWaalsContact CG-CG1 3.41Å; P804-V838 HydrophobicContact CG-CG2 4.21Å
805	P	88.9	Confident	71.6	Confident	6 Å²	6	70.8 Å²	70.8	4%	0.039	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-57.3	147.7	172.1	-23.1	33.3	0	0	0	112.6	I737 L749 G836 I837 V838	I737-P805 HydrophobicContact CD1-CG 4.1Å; L749-P805 WeakPolarHBondContact O-CA 3.49Å; P805-G836 WeakPolarHBondContact CD-O 3.14Å; P805-I837 WeakPolarHBondContact O-CA 3.44Å; P805-I837 WeakPolarHBondContact O-CG1 3.34Å; P805-V838 WeakPolarHBondContact O-CG2 3.25Å; P805-V838 PolarHBondContact O-N 2.78Å
806	V	84.5	Confident	69.3	Low	56 Å²	56	78.6 Å²	78.6	34%	0.339	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	129.8	177.5	-175.8	0	0	0	0	109.8	L815 I820 V838	V806-L815 HydrophobicContact CG1-CD1 4.29Å; V806-I820 HydrophobicContact CB-CD1 4.34Å; V806-I820 HydrophobicContact CG1-CD1 3.43Å; V806-I820 VanDerWaalsContact CG1-CD1 3.43Å; V806-I820 HydrophobicContact CG2-CD1 3.9Å; V806-V838 HydrophobicContact CB-CG2 4.1Å; V806-V838 HydrophobicContact CG1-CG2 4.42Å; V806-V838 HydrophobicContact CG2-CG2 3.6Å
807	Y	80.1	Confident	67.4	Low	35 Å²	35	81.4 Å²	81.4	14%	0.137	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	122.7	173.3	-169.8	-82.7	0	0	0	111.3	Y778 F783 I837 V838 G841 M842	Y778-Y807 HydrophobicContact CE1-CD1 4.06Å; Y778-Y807 HydrophobicContact CE1-CE1 4.22Å; Y778-Y807 HydrophobicContact CE1-CG 4.42Å; F783-Y807 HydrophobicContact CB-CD2 4.1Å; F783-Y807 HydrophobicContact CB-CE2 4.13Å; F783-Y807 AromaticContact CD1-CD2 3.67Å; F783-Y807 HydrophobicContact CD1-CD2 3.67Å; F783-Y807 HydrophobicContact CD1-CE2 4.31Å; F783-Y807 AromaticContact CD2-CD2 3.84Å; F783-Y807 HydrophobicContact CD2-CD2 3.84Å; F783-Y807 AromaticContact CD2-CE2 3.64Å; F783-Y807 HydrophobicContact CD2-CE2 3.64Å; F783-Y807 AromaticContact CE1-CD2 3.95Å; F783-Y807 HydrophobicContact CE1-CD2 3.95Å; F783-Y807 HydrophobicContact CE2-CD2 4.11Å; F783-Y807 HydrophobicContact CE2-CE2 4.05Å; F783-Y807 AromaticContact CG-CD2 3.6Å; F783-Y807 HydrophobicContact CG-CD2 3.6Å; F783-Y807 AromaticContact CG-CE2 3.78Å; F783-Y807 HydrophobicContact CG-CE2 3.78Å; F783-Y807 HydrophobicContact CZ-CD2 4.16Å; Y807-I837 HydrophobicContact CG-CD1 4.48Å; Y807-V838 PolarHBondContact N-O 2.93Å; Y807-G841 PolarHBondContact O-N 3.2Å; Y807-G841 VanDerWaalsContact O-N 3.09Å; Y807-M842 HydrophobicContact CE1-CG 4.26Å
808	D	72.5	Confident	65.3	Low	37 Å²	37	82.9 Å²	82.9	20%	0.198	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	120.5	176	-179.9	-4.8	0	0	0	110	S810 S811 N840	D808-S810 VanDerWaalsContact C-N 3.29Å; D808-S810 VanDerWaalsContact CG-OG 3.23Å; D808-S810 PolarHBondContact O-N 2.86Å; D808-S810 WeakPolarHBondContact OD1-CB 3.49Å; D808-S810 PolarHBondContact OD1-N 2.8Å; D808-S810 PolarHBondContact OD1-OG 3.17Å; D808-S810 PolarHBondContact OD2-OG 3.36Å; D808-S810 VanDerWaalsContact OD2-OG 3.11Å; D808-S811 CarbonylContact O-C 3.57Å; D808-S811 PolarHBondContact O-N 2.72Å; D808-S811 PolarHBondContact OD2-OG 3.47Å; D808-S811 VanDerWaalsContact OD2-OG 3.1Å; D808-N840 VanDerWaalsContact CA-OD1 3.26Å; D808-N840 WeakPolarHBondContact CA-OD1 3.39Å; D808-N840 PolarHBondContact OD1-ND2 3.05Å; D808-N840 PolarHBondContact OD1-OD1 2.86Å
809	S	62.7	Low	63.3	Low	61 Å²	61	76 Å²	76	43%	0.427	38%	0.38	S	S	.	.	S	Bend	trans	-63.3	-30.2	179.3	63	0	0	0	0	114.3	N840 G841	S809-N840 PolarHBondContact N-OD1 2.97Å; S809-G841 WeakPolarHBondContact CB-O 3.43Å; S809-G841 PolarHBondContact N-O 2.91Å
810	S	54.6	Low	61.3	Low	79 Å²	79	76 Å²	76	55%	0.552	38%	0.382	S	S	*	.	S	Bend	trans	-78.6	-31.7	-177.6	67.6	0	0	0	0	112.3	D808	D808-S810 VanDerWaalsContact C-N 3.29Å; D808-S810 VanDerWaalsContact CG-OG 3.23Å; D808-S810 PolarHBondContact O-N 2.86Å; D808-S810 WeakPolarHBondContact OD1-CB 3.49Å; D808-S810 PolarHBondContact OD1-N 2.8Å; D808-S810 PolarHBondContact OD1-OG 3.17Å; D808-S810 PolarHBondContact OD2-OG 3.36Å; D808-S810 VanDerWaalsContact OD2-OG 3.11Å
811	S	46.8	Very low	59.1	Low	42 Å²	42	80.8 Å²	80.8	29%	0.294	40%	0.398	S	S	.	.			trans	-98.8	87.8	176.4	-52.7	0	0	0	0	108.2	D808 Q813	D808-S811 CarbonylContact O-C 3.57Å; D808-S811 PolarHBondContact O-N 2.72Å; D808-S811 PolarHBondContact OD2-OG 3.47Å; D808-S811 VanDerWaalsContact OD2-OG 3.1Å; S811-Q813 PolarHBondContact O-N 3.44Å
812	K	45.1	Very low	56.2	Low	214 Å²	214	83.5 Å²	83.5	93%	0.93	42%	0.415	S	S	*	.	S	Bend	trans	-61.5	18.1	164	-70.4	-172.8	179.2	179.3	0	113.1
813	Q	38.5	Very low	53.4	Low	165 Å²	165	89 Å²	89	77%	0.771	45%	0.447	S	S	*	.	S	Bend	trans	-125.9	138.1	177.4	-77.6	-176.8	-6.4	0	0	110.6	S811 L815	S811-Q813 PolarHBondContact O-N 3.44Å; Q813-L815 PolarHBondContact O-N 3.15Å; Q813-L815 VanDerWaalsContact O-N 3.16Å
814	R	42.8	Very low	50.5	Low	129 Å²	129	90.4 Å²	90.4	49%	0.487	47%	0.472	S	S	.	.			trans	-55.3	114.7	171.7	-66.6	179.1	179.4	171	4.5	109.2	E472 R816	E472-R814 IonicContact OE1-CZ 2.76Å; E472-R814 IonicContact OE1-NH2 2.82Å; E472-R814 PolarHBondContact OE1-NH2 3.48Å; E472-R814 IonicContact OE2-CZ 2.79Å; E472-R814 IonicContact OE2-NH2 3.1Å; E472-R814 PolarHBondContact OE2-NH2 3.13Å; R814-R816 PolarHBondContact O-N 3.45Å; R814-R816 VanDerWaalsContact O-N 3.15Å
815	L	41	Very low	47.9	Very low	80 Å²	80	99.2 Å²	99.2	42%	0.419	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-62.7	117.5	165.4	-71.5	167.9	0	0	0	107.8	V806 Q813 R817 I820	V806-L815 HydrophobicContact CG1-CD1 4.29Å; Q813-L815 PolarHBondContact O-N 3.15Å; Q813-L815 VanDerWaalsContact O-N 3.16Å; L815-R817 PolarHBondContact O-N 3.31Å; L815-I820 HydrophobicContact CD1-CD1 3.91Å
816	R	34.8	Very low	45.7	Very low	231 Å²	231	105.5 Å²	105.5	87%	0.872	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-55.9	137.5	176.3	-79.1	-176.9	169.5	-178.8	-2.7	109.7	R814 G818	R814-R816 PolarHBondContact O-N 3.45Å; R814-R816 VanDerWaalsContact O-N 3.15Å; R816-G818 PolarHBondContact O-N 2.93Å; R816-G818 VanDerWaalsContact O-N 3.16Å
817	R	36.5	Very low	44.9	Very low	149 Å²	149	106.3 Å²	106.3	56%	0.562	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.1	119.8	171.6	-86.5	-177.7	180	177.4	-0.6	109.8	M748 L815	M748-R817 PolarHBondContact O-NH2 3.01Å; L815-R817 PolarHBondContact O-N 3.31Å
818	G	36.5	Very low	44.9	Very low	49 Å²	49	107 Å²	107	51%	0.505	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	141.2	-20.3	172.5	0	0	0	0	0	115.4	R816 V822	R816-G818 PolarHBondContact O-N 2.93Å; R816-G818 VanDerWaalsContact O-N 3.16Å; G818-V822 WeakPolarHBondContact O-CG2 3.07Å
819	S	35.4	Very low	45.5	Very low	78 Å²	78	109.8 Å²	109.8	55%	0.545	57%	0.568	S	S	.	*	S	Bend	trans	-95.5	-21.3	-175.4	62.2	0	0	0	0	115.7
820	I	40	Very low	46.8	Very low	41 Å²	41	106.9 Å²	106.9	21%	0.21	55%	0.547	C	S	.	.	S	Bend	trans	-97	-30.9	-173.2	-60.9	172.9	0	0	0	112.9	V806 L815	V806-I820 HydrophobicContact CB-CD1 4.34Å; V806-I820 HydrophobicContact CG1-CD1 3.43Å; V806-I820 VanDerWaalsContact CG1-CD1 3.43Å; V806-I820 HydrophobicContact CG2-CD1 3.9Å; L815-I820 HydrophobicContact CD1-CD1 3.91Å
821	Y	38.5	Very low	48.2	Very low	134 Å²	134	107 Å²	107	53%	0.525	55%	0.546	S	S	.	.	S	Bend	trans	-124.1	58.9	179.9	-74.8	-79.1	0	0	0	111.3	V838	Y821-V838 HydrophobicContact CE2-CG1 4.38Å
822	V	29.6	Very low	50	Low	78 Å²	78	106.4 Å²	106.4	47%	0.473	55%	0.547	S	S	.	.	S	Bend	trans	-127.3	116.8	165.6	178.3	0	0	0	0	107.6	G818	G818-V822 WeakPolarHBondContact O-CG2 3.07Å
823	N	30.7	Very low	52	Low	157 Å²	157	96.3 Å²	96.3	84%	0.84	50%	0.504	S	S	*	.	S	Bend	trans	42.6	76.6	159.1	-60.3	-20.5	0	0	0	117.6
824	G	30.4	Very low	54.4	Low	75 Å²	75	90.2 Å²	90.2	77%	0.773	47%	0.473	S	S	*	.			trans	95.3	26.9	151.2	0	0	0	0	0	119
825	Y	36	Very low	56.6	Low	188 Å²	188	85.2 Å²	85.2	74%	0.737	46%	0.458	S	S	*	.			trans	-97	123.6	170.6	-81.5	-84.9	0	0	0	114.4	H827	Y825-H827 PolarHBondContact O-N 2.94Å; Y825-H827 VanDerWaalsContact O-N 3.12Å
826	T	43.1	Very low	58.9	Low	137 Å²	137	81.4 Å²	81.4	84%	0.84	44%	0.438	S	S	*	.			trans	-69.5	82.4	175.4	47.2	0	0	0	0	112
827	H	67.9	Low	61.5	Low	74 Å²	74	70.4 Å²	70.4	34%	0.343	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-86.1	142.1	164.6	-67.4	90.4	0	0	0	109.9	Y825 L829 M846	Y825-H827 PolarHBondContact O-N 2.94Å; Y825-H827 VanDerWaalsContact O-N 3.12Å; H827-L829 PolarHBondContact O-N 3.15Å; H827-M846 VanDerWaalsContact CD2-CE 3.46Å; H827-M846 WeakPolarHBondContact CD2-CE 3.5Å
828	P	78.8	Confident	63.9	Low	49 Å²	49	63.3 Å²	63.3	32%	0.318	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-60.1	135.2	174.4	27.2	-34.1	0	0	0	109.1	M846 G847 N945 W947	P828-M846 HydrophobicContact CG-CB 4.44Å; P828-G847 VanDerWaalsContact CG-CA 3.45Å; P828-N945 VanDerWaalsContact O-CA 3.31Å; P828-N945 WeakPolarHBondContact O-CA 3.03Å; P828-N945 PolarHBondContact O-ND2 3.43Å; P828-W947 HydrophobicContact CB-CH2 3.7Å; P828-W947 HydrophobicContact CB-CZ3 3.69Å; P828-W947 HydrophobicContact CG-CZ3 4.43Å
829	L	86.7	Confident	66.2	Low	95 Å²	95	61.4 Å²	61.4	50%	0.497	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-98.8	128.3	178.7	-64.2	179.9	0	0	0	109.3	W795 H827 P831 W947	W795-L829 HydrophobicContact CD2-CB 4.42Å; W795-L829 HydrophobicContact CD2-CD1 4.21Å; W795-L829 HydrophobicContact CD2-CD2 4.38Å; W795-L829 HydrophobicContact CE3-CD1 4.42Å; W795-L829 HydrophobicContact CE3-CD2 4.25Å; W795-L829 HydrophobicContact CH2-CD2 3.65Å; W795-L829 HydrophobicContact CZ2-CB 4.02Å; W795-L829 HydrophobicContact CZ2-CD2 3.76Å; W795-L829 HydrophobicContact CZ2-CG 4.4Å; W795-L829 HydrophobicContact CZ3-CD2 3.9Å; H827-L829 PolarHBondContact O-N 3.15Å; L829-P831 WeakPolarHBondContact O-CD 3.45Å; L829-W947 VanDerWaalsContact C-CZ3 3.46Å; L829-W947 WeakPolarHBondContact O-CH2 3.45Å; L829-W947 WeakPolarHBondContact O-CZ3 3.38Å
830	N	89.5	Confident	68.4	Low	0 Å²	0	58.5 Å²	58.5	0%	0	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-57.4	119.3	177.5	-179.2	-18.5	0	0	0	110.5	W795 G832 G833 T835 Y936 T943 D944 W947	W795-N830 PolarHBondContact NE1-O 3.16Å; N830-G832 PolarHBondContact O-N 2.87Å; N830-G832 VanDerWaalsContact O-N 3.16Å; N830-G832 PolarHBondContact OD1-N 3.34Å; N830-G833 WeakPolarHBondContact O-CA 3.4Å; N830-G833 PolarHBondContact O-N 3.42Å; N830-T835 WeakPolarHBondContact ND2-CG2 3.39Å; N830-Y936 WeakPolarHBondContact OD1-CE2 3.33Å; N830-Y936 PolarHBondContact OD1-OH 2.9Å; N830-T943 VanDerWaalsContact CB-O 3.31Å; N830-T943 WeakPolarHBondContact CB-O 3.09Å; N830-T943 PolarHBondContact ND2-O 2.86Å; N830-D944 WeakPolarHBondContact CB-O 3.09Å; N830-D944 PolarHBondContact N-O 3.37Å; N830-W947 VanDerWaalsContact CA-CE3 3.46Å; N830-W947 HydrophobicContact CB-CB 4.39Å; N830-W947 HydrophobicContact CB-CE3 4.03Å
831	P	84.4	Confident	70.4	Confident	81 Å²	81	56.5 Å²	56.5	53%	0.526	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-23.4	-177.4	25.6	-33.3	0	0	0	112.7	L829 G833 Y936 W947	L829-P831 WeakPolarHBondContact O-CD 3.45Å; P831-G833 PolarHBondContact O-N 3.02Å; P831-Y936 HydrophobicContact CG-CD2 3.63Å; P831-Y936 HydrophobicContact CG-CE2 4.17Å; P831-Y936 HydrophobicContact CG-CG 4.3Å; P831-W947 HydrophobicContact CG-CD2 4.27Å; P831-W947 HydrophobicContact CG-CG 4.26Å; P831-W947 HydrophobicContact CG-CZ2 4.31Å
832	G	83.1	Confident	72.3	Confident	31 Å²	31	53.6 Å²	53.6	32%	0.32	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-3.9	171.3	0	0	0	0	0	114.8	N830	N830-G832 PolarHBondContact O-N 2.87Å; N830-G832 VanDerWaalsContact O-N 3.16Å; N830-G832 PolarHBondContact OD1-N 3.34Å
833	G	88.2	Confident	74.6	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.01	29%	0.288	C	S	.	.			trans	96.7	-168.2	-178.2	0	0	0	0	0	113.6	S793 N830 P831	S793-G833 CarbonylContact O-C 3.44Å; S793-G833 VanDerWaalsContact O-CA 3.28Å; S793-G833 WeakPolarHBondContact O-CA 3.5Å; N830-G833 WeakPolarHBondContact O-CA 3.4Å; N830-G833 PolarHBondContact O-N 3.42Å; P831-G833 PolarHBondContact O-N 3.02Å
834	R	89.3	Confident	76.6	Confident	37 Å²	37	46.2 Å²	46.2	14%	0.14	26%	0.262	C	S	.	.			trans	-65.8	133.5	175.4	-64.4	178	-176	90.4	3.5	110.6	I788 S793 S794 W795 A797 Y802 D944	I788-R834 HydrophobicContact CD1-CB 3.46Å; I788-R834 VanDerWaalsContact CD1-CB 3.46Å; S793-R834 WeakPolarHBondContact O-CB 3.05Å; S793-R834 PolarHBondContact O-N 2.95Å; S794-R834 PolarHBondContact O-NH1 3.29Å; W795-R834 VanDerWaalsContact CA-NH1 3.33Å; W795-R834 HydrophobicContact CD2-CG 4.24Å; W795-R834 HydrophobicContact CE3-CG 3.84Å; W795-R834 HydrophobicContact CH2-CG 3.78Å; W795-R834 HydrophobicContact CZ2-CG 4.19Å; W795-R834 HydrophobicContact CZ3-CG 3.6Å; W795-R834 PolarHBondContact O-NH1 3.11Å; W795-R834 PolarHBondContact O-NH2 2.87Å; A797-R834 PolarHBondContact O-NH1 3.41Å; Y802-R834 HydrophobicContact CE1-CB 4.38Å; Y802-R834 HydrophobicContact CE1-CG 3.88Å; Y802-R834 HydrophobicContact CE2-CB 4.36Å; R834-D944 VanDerWaalsContact CA-OD1 3.28Å; R834-D944 WeakPolarHBondContact CA-OD1 3.45Å
835	T	87.7	Confident	78.8	Confident	25 Å²	25	44.5 Å²	44.5	15%	0.153	24%	0.235	C	C	.	.			trans	-110.7	-8.7	177.8	74.4	0	0	0	0	113	N830 A942 T943 D944	N830-T835 WeakPolarHBondContact ND2-CG2 3.39Å; T835-A942 PolarHBondContact OG1-O 3.15Å; T835-T943 WeakPolarHBondContact OG1-CA 3.4Å; T835-D944 PolarHBondContact N-OD1 2.86Å; T835-D944 PolarHBondContact OG1-N 2.98Å; T835-D944 PolarHBondContact OG1-OD1 3.13Å
836	G	89.9	Confident	81	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.218	C	C	.	.	S	Bend	trans	87	16.4	176.7	0	0	0	0	0	114.6	L786 Y802 P805 D944	L786-G836 PolarHBondContact N-O 3.46Å; L786-G836 WeakPolarHBondContact O-CA 3.11Å; Y802-G836 WeakPolarHBondContact OH-CA 3.32Å; Y802-G836 PolarHBondContact OH-N 3.18Å; P805-G836 WeakPolarHBondContact CD-O 3.14Å; G836-D944 PolarHBondContact N-OD1 3.12Å
837	I	89	Confident	83	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.181	C	C	.	.			trans	-151.9	141.9	175	-168.6	169.7	0	0	0	108.8	Y778 R785 P805 Y807 T943 D944	Y778-I837 HydrophobicContact CD1-CD1 3.95Å; Y778-I837 HydrophobicContact CD2-CD1 4.08Å; Y778-I837 HydrophobicContact CD2-CG2 4.36Å; Y778-I837 HydrophobicContact CE1-CD1 4.27Å; Y778-I837 HydrophobicContact CE2-CD1 4.4Å; Y778-I837 HydrophobicContact CE2-CG2 4.25Å; Y778-I837 HydrophobicContact CG-CD1 3.84Å; R785-I837 HydrophobicContact CB-CB 3.92Å; R785-I837 HydrophobicContact CB-CD1 4.45Å; R785-I837 HydrophobicContact CB-CG2 4.26Å; P805-I837 WeakPolarHBondContact O-CA 3.44Å; P805-I837 WeakPolarHBondContact O-CG1 3.34Å; Y807-I837 HydrophobicContact CG-CD1 4.48Å; I837-T943 HydrophobicContact CG2-CG2 3.94Å; I837-T943 WeakPolarHBondContact O-CB 3.34Å; I837-D944 WeakPolarHBondContact O-CB 3.42Å; I837-D944 PolarHBondContact O-N 3.02Å
838	V	87.8	Confident	83.9	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	162.8	-178.8	-69.8	0	0	0	0	111.6	P804 P805 V806 Y807 Y821 D944 N945	P804-V838 HydrophobicContact CB-CG1 4.4Å; P804-V838 HydrophobicContact CG-CB 4.38Å; P804-V838 HydrophobicContact CG-CG1 3.41Å; P804-V838 VanDerWaalsContact CG-CG1 3.41Å; P804-V838 HydrophobicContact CG-CG2 4.21Å; P805-V838 WeakPolarHBondContact O-CG2 3.25Å; P805-V838 PolarHBondContact O-N 2.78Å; V806-V838 HydrophobicContact CB-CG2 4.1Å; V806-V838 HydrophobicContact CG1-CG2 4.42Å; V806-V838 HydrophobicContact CG2-CG2 3.6Å; Y807-V838 PolarHBondContact N-O 2.93Å; Y821-V838 HydrophobicContact CE2-CG1 4.38Å; V838-D944 HydrophobicContact CG1-CB 3.7Å; V838-D944 WeakPolarHBondContact CG1-OD2 3.39Å; V838-N945 WeakPolarHBondContact CA-OD1 3.42Å; V838-N945 VanDerWaalsContact CB-OD1 3.3Å; V838-N945 WeakPolarHBondContact CB-OD1 3.15Å
839	G	84.7	Confident	84.3	Confident	9 Å²	9	32.5 Å²	32.5	9%	0.093	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	100.2	-173.5	-175	0	0	0	0	0	113.1	G841 T943 N945	G839-G841 PolarHBondContact O-N 3.25Å; G839-T943 VanDerWaalsContact O-CB 3.32Å; G839-T943 WeakPolarHBondContact O-CB 3.48Å; G839-T943 WeakPolarHBondContact O-CG2 3.31Å; G839-T943 PolarHBondContact O-OG1 3.15Å; G839-N945 PolarHBondContact N-OD1 2.96Å
840	N	80.9	Confident	84.2	Confident	16 Å²	16	33.4 Å²	33.4	9%	0.086	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	-14.1	179.7	64.9	17.7	0	0	0	112.8	D808 S809 L843 M846	D808-N840 VanDerWaalsContact CA-OD1 3.26Å; D808-N840 WeakPolarHBondContact CA-OD1 3.39Å; D808-N840 PolarHBondContact OD1-ND2 3.05Å; D808-N840 PolarHBondContact OD1-OD1 2.86Å; S809-N840 PolarHBondContact N-OD1 2.97Å; N840-L843 WeakPolarHBondContact O-CB 3.45Å; N840-L843 PolarHBondContact O-N 3.41Å; N840-M846 HydrophobicContact CB-CG 4.15Å; N840-M846 HydrophobicContact CB-SD 3.91Å; N840-M846 PolarHBondContact N-SD 2.62Å
841	G	82.4	Confident	84	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	66.1	-142.5	-179.7	0	0	0	0	0	111.9	Y778 Y807 S809 G839 L843	Y778-G841 WeakPolarHBondContact OH-CA 3.36Å; Y807-G841 PolarHBondContact O-N 3.2Å; Y807-G841 VanDerWaalsContact O-N 3.09Å; S809-G841 WeakPolarHBondContact CB-O 3.43Å; S809-G841 PolarHBondContact N-O 2.91Å; G839-G841 PolarHBondContact O-N 3.25Å; G841-L843 VanDerWaalsContact C-N 3.28Å
842	M	77.9	Confident	84	Confident	73 Å²	73	31.5 Å²	31.5	36%	0.36	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	5.7	165.7	-62	-170.1	72.3	0	0	112.9	Y778 S779 T781 Y807 N941	Y778-M842 HydrophobicContact CE1-CG 3.88Å; Y778-M842 PolarHBondContact OH-N 3.19Å; S779-M842 VanDerWaalsContact CB-SD 3.55Å; S779-M842 PolarHBondContact OG-SD 3.24Å; T781-M842 HydrophobicContact CG2-CG 4.32Å; T781-M842 HydrophobicContact CG2-SD 3.69Å; Y807-M842 HydrophobicContact CE1-CG 4.26Å; M842-N941 HydrophobicContact CB-CB 4.09Å
843	L	78.2	Confident	84.1	Confident	4 Å²	4	30 Å²	30	2%	0.021	14%	0.142	C	C	.	.	S	Bend	trans	-84	148.9	174.5	-61.7	176.7	0	0	0	109.5	N840 G841 N845 N941 A946 V948	N840-L843 WeakPolarHBondContact O-CB 3.45Å; N840-L843 PolarHBondContact O-N 3.41Å; G841-L843 VanDerWaalsContact C-N 3.28Å; L843-N845 VanDerWaalsContact C-N 3.31Å; L843-N845 PolarHBondContact O-N 3.3Å; L843-N941 HydrophobicContact CD2-CB 4.16Å; L843-N941 HydrophobicContact CG-CB 4.28Å; L843-A946 HydrophobicContact CB-CB 4.13Å; L843-A946 HydrophobicContact CD1-CB 3.82Å; L843-A946 WeakPolarHBondContact CD1-O 3.36Å; L843-V948 HydrophobicContact CD1-CG2 4.16Å; L843-V948 HydrophobicContact CD2-CG2 3.86Å
844	R	72.7	Confident	84	Confident	76 Å²	76	30 Å²	30	29%	0.287	14%	0.141	S	C	.	.	S	Bend	trans	-64.4	-36.6	-172.7	-64.4	-178	179.6	168.3	3.7	112.5	N849 L896 E899	R844-N849 PolarHBondContact N-OD1 2.85Å; R844-L896 HydrophobicContact CG-CD1 4.28Å; R844-E899 IonicContact CZ-OE2 3.27Å; R844-E899 IonicContact NH1-OE2 2.68Å; R844-E899 IonicContact NH2-OE1 3.57Å; R844-E899 PolarHBondContact NH2-OE1 2.95Å; R844-E899 IonicContact NH2-OE2 3.74Å; R844-E899 PolarHBondContact NH2-OE2 3.14Å
845	N	76.9	Confident	83.9	Confident	39 Å²	39	29.8 Å²	29.8	21%	0.209	14%	0.142	C	C	.	.	S	Bend	trans	-132.3	151.7	-172.2	-58.5	-59.9	0	0	0	111.9	L843 N849 A946	L843-N845 VanDerWaalsContact C-N 3.31Å; L843-N845 PolarHBondContact O-N 3.3Å; N845-N849 PolarHBondContact N-OD1 3.09Å; N845-N849 VanDerWaalsContact N-OD1 3.11Å; N845-N849 PolarHBondContact O-ND2 2.88Å; N845-A946 WeakPolarHBondContact O-CB 3.45Å
846	M	81.7	Confident	83.9	Confident	75 Å²	75	28.6 Å²	28.6	37%	0.369	14%	0.135	S	C	.	.	S	Bend	trans	-64.1	142.7	161.1	-69.3	-70.2	-87.7	0	0	109.9	H827 P828 N840 N945	H827-M846 VanDerWaalsContact CD2-CE 3.46Å; H827-M846 WeakPolarHBondContact CD2-CE 3.5Å; P828-M846 HydrophobicContact CG-CB 4.44Å; N840-M846 HydrophobicContact CB-CG 4.15Å; N840-M846 HydrophobicContact CB-SD 3.91Å; N840-M846 PolarHBondContact N-SD 2.62Å; M846-N945 HydrophobicContact CE-CB 3.37Å; M846-N945 HydrophobicContact SD-CB 3.77Å
847	G	85.7	Confident	83.8	Confident	6 Å²	6	30.6 Å²	30.6	6%	0.062	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	82.1	-140.2	-178.7	0	0	0	0	0	113.7	P828 N849 N945 A946 W947	P828-G847 VanDerWaalsContact CG-CA 3.45Å; G847-N849 PolarHBondContact O-N 3.08Å; G847-N849 PolarHBondContact O-ND2 2.96Å; G847-N945 WeakPolarHBondContact CA-O 3.49Å; G847-N945 PolarHBondContact N-O 3.47Å; G847-A946 WeakPolarHBondContact O-CA 3.25Å; G847-W947 PolarHBondContact O-N 3.1Å
848	K	87.2	Confident	83.8	Confident	107 Å²	107	33.3 Å²	33.3	47%	0.465	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	118.5	-175.7	-64.1	-173.7	173.2	-155.7	0	111.2	W947 E949	K848-W947 HydrophobicContact CB-CZ2 4.5Å; K848-W947 HydrophobicContact CD-CZ2 4.44Å; K848-W947 HydrophobicContact CG-CH2 4.43Å; K848-W947 HydrophobicContact CG-CZ2 3.42Å; K848-W947 VanDerWaalsContact CG-CZ2 3.42Å; K848-E949 IonicContact NZ-OE1 3.57Å; K848-E949 PolarHBondContact NZ-OE1 3.42Å; K848-E949 IonicContact NZ-OE2 3.62Å
849	N	86	Confident	83.5	Confident	7 Å²	7	38.5 Å²	38.5	4%	0.037	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	108.7	166.6	-68.3	-98.7	0	0	0	108	R844 N845 G847 M851 W947 V948 E949	R844-N849 PolarHBondContact N-OD1 2.85Å; N845-N849 PolarHBondContact N-OD1 3.09Å; N845-N849 VanDerWaalsContact N-OD1 3.11Å; N845-N849 PolarHBondContact O-ND2 2.88Å; G847-N849 PolarHBondContact O-N 3.08Å; G847-N849 PolarHBondContact O-ND2 2.96Å; N849-M851 PolarHBondContact O-N 3.43Å; N849-W947 WeakPolarHBondContact CB-O 3.49Å; N849-W947 PolarHBondContact N-O 2.75Å; N849-W947 PolarHBondContact ND2-O 3.36Å; N849-V948 WeakPolarHBondContact O-CA 3.28Å; N849-E949 PolarHBondContact O-N 3.35Å
850	K	85.9	Confident	83.4	Confident	114 Å²	114	41.2 Å²	41.2	50%	0.496	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	120.3	-177.5	-67.7	-175.9	178.9	-179.4	0	110.4	K886 E949	K850-K886 HydrophobicContact CB-CB 4.09Å; K850-K886 PolarHBondContact O-N 2.54Å; K850-E949 WeakPolarHBondContact CA-O 3.15Å
851	M	83.7	Confident	83.3	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	144.5	178	-170.9	173.3	71.2	0	0	109.9	N849 M853 M883 F884 Y885 F937 V948 E949 T950 T951	N849-M851 PolarHBondContact O-N 3.43Å; M851-M853 HydrophobicContact CE-CE 3.68Å; M851-M883 HydrophobicContact CE-CE 3.76Å; M851-M883 HydrophobicContact SD-CB 4.46Å; M851-M883 HydrophobicContact SD-CE 3.31Å; M851-M883 WeakPolarHBondContact SD-CE 3.06Å; M851-M883 HydrophobicContact SD-CG 4.44Å; M851-F884 CarbonylContact C-O 3.53Å; M851-F884 WeakPolarHBondContact CA-O 3.43Å; M851-Y885 HydrophobicContact CB-CD1 4.22Å; M851-Y885 HydrophobicContact CB-CE1 4.13Å; M851-Y885 HydrophobicContact CG-CD1 4.43Å; M851-Y885 HydrophobicContact CG-CE1 4.28Å; M851-Y885 HydrophobicContact SD-CE1 4.17Å; M851-Y885 HydrophobicContact SD-CE2 4.25Å; M851-F937 HydrophobicContact CE-CD1 3.94Å; M851-F937 HydrophobicContact CE-CE1 4.04Å; M851-F937 HydrophobicContact CE-CG 4.48Å; M851-V948 HydrophobicContact CB-CG1 3.55Å; M851-V948 HydrophobicContact CE-CG1 3.86Å; M851-V948 HydrophobicContact CG-CG1 4.45Å; M851-V948 HydrophobicContact SD-CG1 4.13Å; M851-E949 PolarHBondContact N-O 3.15Å; M851-T950 HydrophobicContact CE-CG2 3.82Å; M851-T950 WeakPolarHBondContact CE-OG1 3.37Å; M851-T950 CarbonylContact O-C 3.56Å; M851-T950 VanDerWaalsContact O-CA 3.25Å; M851-T950 WeakPolarHBondContact O-CA 3.35Å; M851-T951 PolarHBondContact O-N 3.17Å
852	Q	85.4	Confident	83.2	Confident	40 Å²	40	51.5 Å²	51.5	19%	0.187	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	132.4	172.7	-63.6	177	-63.2	0	0	108.5	M883 F884 M902 T951 Y953	Q852-M883 CarbonylContact O-C 3.39Å; Q852-M883 WeakPolarHBondContact O-CA 3.41Å; Q852-F884 PolarHBondContact N-O 2.7Å; Q852-F884 PolarHBondContact O-N 3.29Å; Q852-M902 HydrophobicContact CB-CE 3.33Å; Q852-M902 HydrophobicContact CG-CE 4.02Å; Q852-T951 WeakPolarHBondContact CA-O 3.45Å; Q852-Y953 HydrophobicContact CB-CE2 4.07Å; Q852-Y953 HydrophobicContact CG-CE2 4.05Å; Q852-Y953 PolarHBondContact NE2-OH 3.39Å; Q852-Y953 VanDerWaalsContact NE2-OH 3.08Å
853	M	84.5	Confident	83.3	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	135.6	-178.9	-174	-174.1	-59.2	0	0	109.6	L414 M851 L881 P882 M883 F937 T950 T951 I952 Y953	L414-M853 HydrophobicContact CD1-CE 3.13Å; L414-M853 HydrophobicContact CD1-SD 3.54Å; L414-M853 VanDerWaalsContact CD1-SD 3.54Å; L414-M853 HydrophobicContact CD2-CE 4.16Å; L414-M853 HydrophobicContact CD2-SD 4.03Å; L414-M853 HydrophobicContact CG-CE 4.24Å; L414-M853 HydrophobicContact CG-SD 4.42Å; M851-M853 HydrophobicContact CE-CE 3.68Å; M853-L881 HydrophobicContact CG-CB 3.98Å; M853-L881 HydrophobicContact CG-CD1 4.15Å; M853-L881 HydrophobicContact SD-CB 4.43Å; M853-L881 HydrophobicContact SD-CD1 3.93Å; M853-P882 CarbonylContact C-O 3.52Å; M853-P882 VanDerWaalsContact CA-O 3.28Å; M853-P882 WeakPolarHBondContact CA-O 3.5Å; M853-M883 HydrophobicContact CE-CG 4.2Å; M853-M883 HydrophobicContact CE-SD 4.44Å; M853-M883 HydrophobicContact CG-CG 4.16Å; M853-F937 HydrophobicContact CE-CE2 4.11Å; M853-F937 HydrophobicContact CE-CZ 4.12Å; M853-T950 HydrophobicContact CB-CG2 3.88Å; M853-T950 HydrophobicContact CE-CG2 4Å; M853-T951 PolarHBondContact N-O 3.35Å; M853-I952 HydrophobicContact CB-CG1 4.39Å; M853-I952 CarbonylContact O-C 3.57Å; M853-I952 WeakPolarHBondContact O-CA 3.04Å; M853-I952 HydrophobicContact SD-CG1 4.29Å; M853-Y953 PolarHBondContact O-N 2.86Å
854	L	86.5	Confident	83.6	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	128.9	-178.2	-60.6	73.6	0	0	0	110.5	I856 P882 F884 M902 F906 I927 I955 F963	L854-I856 HydrophobicContact CB-CD1 4.22Å; L854-I856 HydrophobicContact CB-CG1 3.94Å; L854-I856 HydrophobicContact CD2-CD1 4.06Å; L854-I856 HydrophobicContact CD2-CG1 4.34Å; L854-P882 HydrophobicContact CB-CB 4.28Å; L854-P882 HydrophobicContact CD1-CB 4.33Å; L854-P882 PolarHBondContact N-O 3.39Å; L854-P882 WeakPolarHBondContact O-CD 3.27Å; L854-F884 HydrophobicContact CD1-CD2 3.95Å; L854-F884 HydrophobicContact CD1-CE2 4.09Å; L854-M902 HydrophobicContact CD1-CE 3.5Å; L854-M902 VanDerWaalsContact CD1-CE 3.5Å; L854-M902 HydrophobicContact CD1-CG 3.99Å; L854-M902 HydrophobicContact CD1-SD 3.58Å; L854-M902 VanDerWaalsContact CD1-SD 3.58Å; L854-M902 HydrophobicContact CD2-CG 4.21Å; L854-M902 HydrophobicContact CD2-SD 3.67Å; L854-M902 HydrophobicContact CG-CE 4.29Å; L854-M902 HydrophobicContact CG-SD 3.96Å; L854-F906 HydrophobicContact CD1-CE2 4.48Å; L854-F906 HydrophobicContact CD2-CD2 4.35Å; L854-F906 HydrophobicContact CD2-CE2 3.52Å; L854-F906 HydrophobicContact CD2-CZ 3.99Å; L854-I927 HydrophobicContact CD2-CD1 4.32Å; L854-I927 HydrophobicContact CD2-CG1 4.31Å; L854-I955 HydrophobicContact CD2-CD1 3.85Å; L854-I955 HydrophobicContact CG-CD1 4.43Å; L854-F963 HydrophobicContact CD2-CE1 4.44Å; L854-F963 HydrophobicContact CD2-CZ 4.39Å
855	M	86.5	Confident	84.4	Confident	33 Å²	33	54.9 Å²	54.9	16%	0.163	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	94.2	165.9	-169.4	-174.9	-14.9	0	0	107.6	F410 L857 V866 L881 I952 Y953 L954 I955	F410-M855 HydrophobicContact CE1-CE 4.27Å; F410-M855 HydrophobicContact CE2-CE 4.45Å; F410-M855 HydrophobicContact CZ-CE 3.61Å; F410-M855 HydrophobicContact CZ-SD 4.41Å; M855-L857 HydrophobicContact CG-CD2 4.4Å; M855-L857 HydrophobicContact CG-CG 4.41Å; M855-V866 HydrophobicContact CG-CG2 4.47Å; M855-L881 HydrophobicContact CB-CD1 4.45Å; M855-I952 HydrophobicContact CE-CG2 4.33Å; M855-Y953 PolarHBondContact N-O 2.84Å; M855-L954 HydrophobicContact CB-CD1 4.22Å; M855-L954 HydrophobicContact CE-CD1 4.07Å; M855-L954 HydrophobicContact CG-CD1 4.12Å; M855-L954 HydrophobicContact SD-CD1 3.8Å; M855-I955 PolarHBondContact O-N 3.29Å
856	I	88.7	Confident	84.9	Confident	0 Å²	0	53 Å²	53	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	113.9	-178.4	-53	167.6	0	0	0	107.6	L854 V866 L867 F906 I955 T957 F963 W979	L854-I856 HydrophobicContact CB-CD1 4.22Å; L854-I856 HydrophobicContact CB-CG1 3.94Å; L854-I856 HydrophobicContact CD2-CD1 4.06Å; L854-I856 HydrophobicContact CD2-CG1 4.34Å; I856-V866 WeakPolarHBondContact O-CA 3.25Å; I856-L867 HydrophobicContact CB-CB 4.08Å; I856-L867 HydrophobicContact CD1-CB 4.37Å; I856-L867 HydrophobicContact CD1-CD2 3.68Å; I856-L867 PolarHBondContact O-N 2.98Å; I856-L867 VanDerWaalsContact O-N 3.15Å; I856-F906 HydrophobicContact CD1-CE1 3.89Å; I856-F906 HydrophobicContact CD1-CZ 3.74Å; I856-I955 WeakPolarHBondContact CA-O 3.39Å; I856-I955 HydrophobicContact CG1-CB 4.34Å; I856-I955 HydrophobicContact CG1-CD1 4.3Å; I856-I955 HydrophobicContact CG2-CB 4.5Å; I856-I955 HydrophobicContact CG2-CG2 4.48Å; I856-T957 HydrophobicContact CG2-CG2 3.72Å; I856-F963 HydrophobicContact CD1-CD1 3.57Å; I856-F963 HydrophobicContact CD1-CE1 3.61Å; I856-F963 HydrophobicContact CD1-CG 4.41Å; I856-F963 HydrophobicContact CD1-CZ 4.46Å; I856-F963 HydrophobicContact CG1-CD1 4.35Å; I856-F963 HydrophobicContact CG1-CE1 4.42Å; I856-F963 HydrophobicContact CG2-CB 3.9Å; I856-F963 HydrophobicContact CG2-CD1 4.23Å; I856-F963 HydrophobicContact CG2-CG 4.06Å; I856-W979 HydrophobicContact CB-CH2 4.36Å; I856-W979 HydrophobicContact CG2-CH2 3.62Å; I856-W979 HydrophobicContact CG2-CZ3 4.22Å
857	L	88.2	Confident	85.2	Confident	43 Å²	43	49.5 Å²	49.5	23%	0.225	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	125.6	179.8	-62.7	177.2	0	0	0	109.9	M855 E865 V866 L954 I955 E956 T957	M855-L857 HydrophobicContact CG-CD2 4.4Å; M855-L857 HydrophobicContact CG-CG 4.41Å; L857-E865 WeakPolarHBondContact CA-O 3.39Å; L857-V866 HydrophobicContact CD2-CB 4.14Å; L857-V866 HydrophobicContact CD2-CG2 4.2Å; L857-L954 HydrophobicContact CD1-CD1 3.65Å; L857-L954 HydrophobicContact CG-CD1 4.2Å; L857-I955 PolarHBondContact N-O 3.09Å; L857-E956 WeakPolarHBondContact O-CA 3.29Å; L857-T957 WeakPolarHBondContact O-CG2 3.38Å; L857-T957 PolarHBondContact O-N 3.08Å
858	R	88.1	Confident	85	Confident	57 Å²	57	51.1 Å²	51.1	22%	0.215	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	153.3	168.5	73.7	178.9	-174.7	175	4.2	110.8	E865 T957 W979	R858-E865 HydrophobicContact CG-CB 3.91Å; R858-E865 IonicContact CZ-OE2 3.09Å; R858-E865 PolarHBondContact N-O 3.15Å; R858-E865 IonicContact NE-OE2 2.68Å; R858-E865 PolarHBondContact NE-OE2 3.12Å; R858-E865 IonicContact NH2-OE2 2.67Å; R858-E865 PolarHBondContact NH2-OE2 3.02Å; R858-E865 PolarHBondContact O-N 3.41Å; R858-T957 WeakPolarHBondContact CA-OG1 3.45Å; R858-T957 HydrophobicContact CB-CG2 3.81Å; R858-T957 WeakPolarHBondContact CB-OG1 3.47Å; R858-W979 HydrophobicContact CB-CH2 4.09Å; R858-W979 HydrophobicContact CB-CZ3 3.99Å; R858-W979 HydrophobicContact CG-CD2 4.19Å; R858-W979 HydrophobicContact CG-CE3 3.68Å; R858-W979 HydrophobicContact CG-CH2 3.98Å; R858-W979 HydrophobicContact CG-CZ2 4.47Å; R858-W979 HydrophobicContact CG-CZ3 3.56Å; R858-W979 VanDerWaalsContact CZ-CD2 3.49Å; R858-W979 VanDerWaalsContact NH1-CD1 3.31Å; R858-W979 VanDerWaalsContact NH1-NE1 3.18Å; R858-W979 VanDerWaalsContact NH2-CD1 3.3Å; R858-W979 VanDerWaalsContact NH2-CG 3.26Å
859	N	82.9	Confident	84.4	Confident	109 Å²	109	46.7 Å²	46.7	58%	0.583	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-101.5	115.8	167.8	-172.2	-14	0	0	0	107.6	G862 S863	N859-G862 VanDerWaalsContact OD1-CA 3.23Å; N859-G862 WeakPolarHBondContact OD1-CA 3.43Å; N859-G862 PolarHBondContact OD1-N 3.41Å; N859-S863 PolarHBondContact OD1-O 3.17Å
860	N	81.7	Confident	83.5	Confident	65 Å²	65	49.9 Å²	49.9	35%	0.348	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	107.2	177.5	-174.6	26.8	0	0	0	108.3	G862 S863 E865	N860-G862 VanDerWaalsContact C-N 3.25Å; N860-G862 PolarHBondContact O-N 3.15Å; N860-G862 VanDerWaalsContact O-N 3.14Å; N860-S863 PolarHBondContact N-O 3.39Å; N860-S863 WeakPolarHBondContact O-CB 2.89Å; N860-S863 PolarHBondContact O-N 3.04Å; N860-E865 HydrophobicContact CB-CG 4.32Å; N860-E865 PolarHBondContact ND2-OE1 3.28Å
861	N	79.6	Confident	81.9	Confident	167 Å²	167	50.1 Å²	50.1	89%	0.893	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.2	42.3	-179.5	-68.7	-7	0	0	0	114.7	S863	N861-S863 VanDerWaalsContact C-N 3.3Å; N861-S863 PolarHBondContact O-N 2.87Å
862	G	78.4	Confident	80	Confident	66 Å²	66	57.2 Å²	57.2	68%	0.68	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	89	-15.5	179.5	0	0	0	0	0	114.5	N859 N860	N859-G862 VanDerWaalsContact OD1-CA 3.23Å; N859-G862 WeakPolarHBondContact OD1-CA 3.43Å; N859-G862 PolarHBondContact OD1-N 3.41Å; N860-G862 VanDerWaalsContact C-N 3.25Å; N860-G862 PolarHBondContact O-N 3.15Å; N860-G862 VanDerWaalsContact O-N 3.14Å
863	S	81.6	Confident	77.7	Confident	49 Å²	49	62.5 Å²	62.5	34%	0.343	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	132.5	173	-171.6	0	0	0	0	111	N859 N860 N861	N859-S863 PolarHBondContact OD1-O 3.17Å; N860-S863 PolarHBondContact N-O 3.39Å; N860-S863 WeakPolarHBondContact O-CB 2.89Å; N860-S863 PolarHBondContact O-N 3.04Å; N861-S863 VanDerWaalsContact C-N 3.3Å; N861-S863 PolarHBondContact O-N 2.87Å
864	K	84.8	Confident	75.1	Confident	146 Å²	146	72.8 Å²	72.8	64%	0.635	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.7	125	170.5	-73.2	-176.3	-178	176.1	0	108.8	A982	K864-A982 HydrophobicContact CB-CB 3.95Å; K864-A982 WeakPolarHBondContact O-CB 3.23Å; K864-A982 PolarHBondContact O-N 3Å
865	E	87.9	Confident	72.7	Confident	28 Å²	28	75.7 Å²	75.7	13%	0.131	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	149.2	176.1	-65.6	176.1	178.5	0	0	110.9	L857 R858 N860 W979 K980	L857-E865 WeakPolarHBondContact CA-O 3.39Å; R858-E865 HydrophobicContact CG-CB 3.91Å; R858-E865 IonicContact CZ-OE2 3.09Å; R858-E865 PolarHBondContact N-O 3.15Å; R858-E865 IonicContact NE-OE2 2.68Å; R858-E865 PolarHBondContact NE-OE2 3.12Å; R858-E865 IonicContact NH2-OE2 2.67Å; R858-E865 PolarHBondContact NH2-OE2 3.02Å; R858-E865 PolarHBondContact O-N 3.41Å; N860-E865 HydrophobicContact CB-CG 4.32Å; N860-E865 PolarHBondContact ND2-OE1 3.28Å; E865-W979 HydrophobicContact CB-CE3 4.17Å; E865-K980 CarbonylContact C-O 3.47Å; E865-K980 WeakPolarHBondContact CA-O 3.36Å; E865-K980 WeakPolarHBondContact CB-O 3.38Å
866	V	87.7	Confident	70.4	Confident	1 Å²	1	76.4 Å²	76.4	1%	0.006	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	141.7	177	67.7	0	0	0	0	110.7	M855 I856 L857 L881 K980 A985 L987	M855-V866 HydrophobicContact CG-CG2 4.47Å; I856-V866 WeakPolarHBondContact O-CA 3.25Å; L857-V866 HydrophobicContact CD2-CB 4.14Å; L857-V866 HydrophobicContact CD2-CG2 4.2Å; V866-L881 HydrophobicContact CG2-CD2 3.87Å; V866-K980 PolarHBondContact N-O 3.48Å; V866-K980 PolarHBondContact O-N 2.87Å; V866-A985 HydrophobicContact CG1-CB 3.74Å; V866-L987 HydrophobicContact CB-CD1 4.34Å; V866-L987 HydrophobicContact CG1-CD1 3.82Å; V866-L987 HydrophobicContact CG2-CD1 4.05Å
867	L	87.5	Confident	67.8	Low	0 Å²	0	82 Å²	82	0%	0	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	123.6	172.8	-167.5	72.5	0	0	0	110.5	I856 P882 F906 L966 L968 Y977 W979	I856-L867 HydrophobicContact CB-CB 4.08Å; I856-L867 HydrophobicContact CD1-CB 4.37Å; I856-L867 HydrophobicContact CD1-CD2 3.68Å; I856-L867 PolarHBondContact O-N 2.98Å; I856-L867 VanDerWaalsContact O-N 3.15Å; L867-P882 HydrophobicContact CD2-CG 4.06Å; L867-P882 HydrophobicContact CG-CG 4.43Å; L867-P882 WeakPolarHBondContact O-CD 3.46Å; L867-F906 HydrophobicContact CD2-CE1 3.76Å; L867-F906 HydrophobicContact CD2-CZ 4.31Å; L867-L966 HydrophobicContact CD2-CD1 4Å; L867-L968 HydrophobicContact CD1-CD1 3.57Å; L867-L968 HydrophobicContact CD1-CD2 4.04Å; L867-L968 HydrophobicContact CD1-CG 4.47Å; L867-Y977 HydrophobicContact CD2-CG 4.46Å; L867-Y977 HydrophobicContact CG-CG 4.42Å; L867-W979 HydrophobicContact CB-CD2 4.5Å; L867-W979 HydrophobicContact CB-CE3 4.08Å; L867-W979 HydrophobicContact CB-CH2 4.09Å; L867-W979 HydrophobicContact CB-CZ2 4.47Å; L867-W979 HydrophobicContact CB-CZ3 3.87Å; L867-W979 HydrophobicContact CD1-CD2 3.96Å; L867-W979 HydrophobicContact CD1-CE3 4.39Å; L867-W979 HydrophobicContact CD1-CG 4.35Å; L867-W979 HydrophobicContact CD1-CZ2 4.11Å
868	R	81.8	Confident	65.7	Low	41 Å²	41	85 Å²	85	16%	0.155	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	147	-172	-179.7	-167	131.7	163.8	7.7	111.6	D870 A879 S880 Y977 Q978	R868-D870 IonicContact CZ-OD1 3.68Å; R868-D870 IonicContact NE-OD1 3.92Å; R868-D870 PolarHBondContact NE-OD1 3.4Å; R868-D870 IonicContact NH2-OD1 3.16Å; R868-D870 PolarHBondContact NH2-OD1 3.03Å; R868-A879 VanDerWaalsContact NE-CA 3.26Å; R868-S880 WeakPolarHBondContact CA-O 3.49Å; R868-S880 WeakPolarHBondContact CG-O 3.34Å; R868-Y977 CarbonylContact O-C 3.56Å; R868-Y977 VanDerWaalsContact O-CA 3.31Å; R868-Y977 WeakPolarHBondContact O-CA 3.25Å; R868-Q978 PolarHBondContact N-O 2.93Å; R868-Q978 PolarHBondContact O-N 3.06Å; R868-Q978 VanDerWaalsContact O-O 3.1Å
869	S	75	Confident	63.8	Low	13 Å²	13	83.2 Å²	83.2	9%	0.091	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	140.5	171.6	178.6	0	0	0	0	111.9	H871 S880 M975	S869-H871 PolarHBondContact OG-N 3.02Å; S869-S880 PolarHBondContact N-O 2.9Å; S869-M975 VanDerWaalsContact CB-O 3.31Å; S869-M975 WeakPolarHBondContact CB-O 3.36Å; S869-M975 PolarHBondContact OG-O 3.11Å
870	D	66.5	Low	63	Low	74 Å²	74	78.6 Å²	78.6	40%	0.396	42%	0.422	S	S	.	.			trans	-99.1	-1.8	167.9	-76.4	-21.6	0	0	0	112.8	R868 Y872 N976 Q978 K980	R868-D870 IonicContact CZ-OD1 3.68Å; R868-D870 IonicContact NE-OD1 3.92Å; R868-D870 PolarHBondContact NE-OD1 3.4Å; R868-D870 IonicContact NH2-OD1 3.16Å; R868-D870 PolarHBondContact NH2-OD1 3.03Å; D870-Y872 PolarHBondContact O-N 2.77Å; D870-N976 PolarHBondContact N-O 2.93Å; D870-Q978 PolarHBondContact OD2-OE1 3.49Å; D870-K980 WeakPolarHBondContact OD2-CE 3.23Å; D870-K980 IonicContact OD2-NZ 3.79Å; D870-K980 PolarHBondContact OD2-NZ 3.44Å
871	H	52.8	Low	62.7	Low	119 Å²	119	75.9 Å²	75.9	55%	0.551	41%	0.408	S	S	*	.			trans	-87.7	101.4	-179.9	-165.1	74.6	0	0	0	111.8	S869 N976	S869-H871 PolarHBondContact OG-N 3.02Å; H871-N976 HydrophobicContact CB-CB 3.92Å; H871-N976 WeakPolarHBondContact CB-ND2 3.23Å
872	Y	44.8	Very low	62.8	Low	150 Å²	150	68 Å²	68	59%	0.588	37%	0.365	S	S	*	.	S	Bend	trans	-143	149.5	151	-111.2	-91	0	0	0	108.3	L415 D870	L415-Y872 HydrophobicContact CD2-CE1 4.41Å; L415-Y872 HydrophobicContact CD2-CE2 4.24Å; L415-Y872 WeakPolarHBondContact CD2-OH 3.48Å; D870-Y872 PolarHBondContact O-N 2.77Å
873	Q	36.5	Very low	62.8	Low	151 Å²	151	66.1 Å²	66.1	71%	0.706	34%	0.34	S	S	*	.			trans	-45.7	140.6	-172.9	-74.3	178.8	-33	0	0	113.6	G875	Q873-G875 PolarHBondContact O-N 3.31Å
874	K	30.2	Very low	62.8	Low	217 Å²	217	64.4 Å²	64.4	94%	0.943	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-35	103.7	-178.9	-155.6	176.9	-171	178.7	0	112.3
875	G	36.8	Very low	62.4	Low	60 Å²	60	60.3 Å²	60.3	62%	0.619	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	139.3	-9.5	170.4	0	0	0	0	0	117.9	Q873	Q873-G875 PolarHBondContact O-N 3.31Å
876	N	37.2	Very low	61.6	Low	48 Å²	48	65.3 Å²	65.3	26%	0.257	33%	0.328	S	S	.	.			trans	-127.1	119.7	-178.3	-107.2	-14.9	0	0	0	112.1	P416	P416-N876 HydrophobicContact CG-CB 4.13Å
877	S	34.7	Very low	60.4	Low	117 Å²	117	73.2 Å²	73.2	82%	0.818	36%	0.363	S	S	*	.			trans	-100.9	44.6	-169.9	50.7	0	0	0	0	115.2
878	K	42.6	Very low	58.7	Low	106 Å²	106	78.4 Å²	78.4	46%	0.461	39%	0.387	S	S	.	.			trans	-137.9	100.3	171	-65.5	-173.9	179.9	-175.9	0	109.6	P416	P416-K878 HydrophobicContact CG-CB 4.37Å
879	A	49.1	Very low	57.2	Low	20 Å²	20	83.5 Å²	83.5	17%	0.165	42%	0.417	C	S	.	.				67.2	82.7	92.3	0	0	0	0	0	115.9	R868	R868-A879 VanDerWaalsContact NE-CA 3.26Å
880	S	65.1	Low	55.9	Low	12 Å²	12	88.2 Å²	88.2	8%	0.084	44%	0.441	C	S	.	.	B	Isolated β-bridge	trans	-112.2	136.4	176.4	-165.6	0	0	0	0	113.3	R868 S869 M883	R868-S880 WeakPolarHBondContact CA-O 3.49Å; R868-S880 WeakPolarHBondContact CG-O 3.34Å; S869-S880 PolarHBondContact N-O 2.9Å; S880-M883 PolarHBondContact OG-SD 3.22Å; S880-M883 VanDerWaalsContact OG-SD 3.37Å
881	L	76.6	Confident	54.8	Low	9 Å²	9	90.8 Å²	90.8	5%	0.047	47%	0.465	C	S	.	.			trans	-73.2	159.3	170.2	-69.6	176.6	0	0	0	110.4	F410 L414 M853 M855 V866 M883 L987	F410-L881 HydrophobicContact CD1-CD1 4.23Å; F410-L881 HydrophobicContact CE1-CD1 3.88Å; L414-L881 HydrophobicContact CD2-CB 3.89Å; L414-L881 HydrophobicContact CD2-CD1 4.39Å; L414-L881 HydrophobicContact CD2-CG 4.12Å; M853-L881 HydrophobicContact CG-CB 3.98Å; M853-L881 HydrophobicContact CG-CD1 4.15Å; M853-L881 HydrophobicContact SD-CB 4.43Å; M853-L881 HydrophobicContact SD-CD1 3.93Å; M855-L881 HydrophobicContact CB-CD1 4.45Å; V866-L881 HydrophobicContact CG2-CD2 3.87Å; L881-M883 WeakPolarHBondContact O-CG 3.3Å; L881-M883 PolarHBondContact O-N 2.92Å; L881-L987 HydrophobicContact CD2-CD1 4.48Å
882	P	82	Confident	54.4	Low	0 Å²	0	89.8 Å²	89.8	0%	0	48%	0.477	C	S	.	.			trans	-54.6	121.9	171.2	-24	29.4	0	0	0	112.8	M853 L854 L867 F884 F906 Y977	M853-P882 CarbonylContact C-O 3.52Å; M853-P882 VanDerWaalsContact CA-O 3.28Å; M853-P882 WeakPolarHBondContact CA-O 3.5Å; L854-P882 HydrophobicContact CB-CB 4.28Å; L854-P882 HydrophobicContact CD1-CB 4.33Å; L854-P882 PolarHBondContact N-O 3.39Å; L854-P882 WeakPolarHBondContact O-CD 3.27Å; L867-P882 HydrophobicContact CD2-CG 4.06Å; L867-P882 HydrophobicContact CG-CG 4.43Å; L867-P882 WeakPolarHBondContact O-CD 3.46Å; P882-F884 HydrophobicContact CB-CE2 4.01Å; P882-F906 HydrophobicContact CB-CZ 3.96Å; P882-F906 HydrophobicContact CG-CZ 4.17Å; P882-Y977 WeakPolarHBondContact CA-OH 3.42Å; P882-Y977 HydrophobicContact CB-CE1 3.96Å; P882-Y977 HydrophobicContact CB-CE2 4.34Å; P882-Y977 HydrophobicContact CG-CD1 4Å; P882-Y977 HydrophobicContact CG-CE1 3.73Å; P882-Y977 HydrophobicContact CG-CE2 4.49Å
883	M	78.5	Confident	54.5	Low	28 Å²	28	85.6 Å²	85.6	14%	0.138	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	130.8	-175.5	-72.8	164.9	65.8	0	0	110.7	L414 M851 Q852 M853 S880 L881	L414-M883 HydrophobicContact CB-SD 4.47Å; L414-M883 HydrophobicContact CD2-SD 4.07Å; M851-M883 HydrophobicContact CE-CE 3.76Å; M851-M883 HydrophobicContact SD-CB 4.46Å; M851-M883 HydrophobicContact SD-CE 3.31Å; M851-M883 WeakPolarHBondContact SD-CE 3.06Å; M851-M883 HydrophobicContact SD-CG 4.44Å; Q852-M883 CarbonylContact O-C 3.39Å; Q852-M883 WeakPolarHBondContact O-CA 3.41Å; M853-M883 HydrophobicContact CE-CG 4.2Å; M853-M883 HydrophobicContact CE-SD 4.44Å; M853-M883 HydrophobicContact CG-CG 4.16Å; S880-M883 PolarHBondContact OG-SD 3.22Å; S880-M883 VanDerWaalsContact OG-SD 3.37Å; L881-M883 WeakPolarHBondContact O-CG 3.3Å; L881-M883 PolarHBondContact O-N 2.92Å
884	F	81.8	Confident	54.8	Low	13 Å²	13	82 Å²	82	6%	0.057	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	130.9	-179.7	-60.8	-90.5	0	0	0	110.5	M851 Q852 L854 P882 M902 Y905 F906	M851-F884 CarbonylContact C-O 3.53Å; M851-F884 WeakPolarHBondContact CA-O 3.43Å; Q852-F884 PolarHBondContact N-O 2.7Å; Q852-F884 PolarHBondContact O-N 3.29Å; L854-F884 HydrophobicContact CD1-CD2 3.95Å; L854-F884 HydrophobicContact CD1-CE2 4.09Å; P882-F884 HydrophobicContact CB-CE2 4.01Å; F884-M902 HydrophobicContact CB-CB 4.25Å; F884-M902 HydrophobicContact CD1-CB 4.17Å; F884-M902 HydrophobicContact CD2-CB 3.83Å; F884-M902 HydrophobicContact CD2-CE 4.4Å; F884-M902 HydrophobicContact CD2-CG 3.68Å; F884-M902 HydrophobicContact CE2-CB 4.22Å; F884-M902 HydrophobicContact CE2-CG 3.78Å; F884-M902 HydrophobicContact CG-CB 3.8Å; F884-M902 HydrophobicContact CG-CG 4.2Å; F884-M902 HydrophobicContact CZ-CG 4.36Å; F884-Y905 HydrophobicContact CE1-CD1 4.23Å; F884-Y905 HydrophobicContact CE1-CD2 4.4Å; F884-Y905 AromaticContact CE1-CG 3.79Å; F884-Y905 HydrophobicContact CE1-CG 3.79Å; F884-Y905 AromaticContact CZ-CD1 3.74Å; F884-Y905 HydrophobicContact CZ-CD1 3.74Å; F884-Y905 AromaticContact CZ-CG 3.79Å; F884-Y905 HydrophobicContact CZ-CG 3.79Å; F884-F906 AromaticContact CE2-CE2 3.73Å; F884-F906 HydrophobicContact CE2-CE2 3.73Å; F884-F906 HydrophobicContact CE2-CZ 4.33Å; F884-F906 HydrophobicContact CZ-CD2 4.5Å; F884-F906 AromaticContact CZ-CE2 3.97Å; F884-F906 HydrophobicContact CZ-CE2 3.97Å
885	Y	76.3	Confident	55.3	Low	59 Å²	59	77.9 Å²	77.9	23%	0.231	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	132	173.1	-76.6	-84.5	0	0	0	110.5	M851 K887 H939	M851-Y885 HydrophobicContact CB-CD1 4.22Å; M851-Y885 HydrophobicContact CB-CE1 4.13Å; M851-Y885 HydrophobicContact CG-CD1 4.43Å; M851-Y885 HydrophobicContact CG-CE1 4.28Å; M851-Y885 HydrophobicContact SD-CE1 4.17Å; M851-Y885 HydrophobicContact SD-CE2 4.25Å; Y885-K887 PolarHBondContact O-N 2.78Å; Y885-H939 PolarHBondContact OH-NE2 2.85Å
886	K	70.1	Confident	55.8	Low	133 Å²	133	80.7 Å²	80.7	58%	0.578	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-68.8	130	175.8	-158.3	175.1	-174.1	174.4	0	109.4	K850 H888	K850-K886 HydrophobicContact CB-CB 4.09Å; K850-K886 PolarHBondContact O-N 2.54Å; K886-H888 PolarHBondContact O-N 2.93Å
887	K	62	Low	56.4	Low	168 Å²	168	83.7 Å²	83.7	73%	0.73	49%	0.488	S	S	*	.	P	Polyproline II helix	trans	-61	133.8	173.7	-167.3	174.6	-178.5	178.1	0	109.8	Y885	Y885-K887 PolarHBondContact O-N 2.78Å
888	H	52.6	Low	57.3	Low	109 Å²	109	82.3 Å²	82.3	51%	0.505	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-99.5	141.4	171.7	-147.2	-75.9	0	0	0	109	K886 N890	K886-H888 PolarHBondContact O-N 2.93Å; H888-N890 PolarHBondContact O-N 2.97Å; H888-N890 VanDerWaalsContact O-N 3.11Å
889	N	49.6	Very low	58.3	Low	147 Å²	147	82.5 Å²	82.5	79%	0.786	49%	0.486	S	S	*	.			trans	-76.4	12.6	-177.8	-76.7	-1	0	0	0	114.3	S891	N889-S891 PolarHBondContact O-N 3.04Å
890	N	47.5	Very low	59.5	Low	113 Å²	113	83.5 Å²	83.5	60%	0.604	49%	0.491	S	S	*	.			trans	-89.3	113	-177.1	-76.5	11.9	0	0	0	110.9	H888 A892	H888-N890 PolarHBondContact O-N 2.97Å; H888-N890 VanDerWaalsContact O-N 3.11Å; N890-A892 PolarHBondContact O-N 3.25Å; N890-A892 VanDerWaalsContact O-N 3.09Å
891	S	43.8	Very low	60.3	Low	127 Å²	127	85.8 Å²	85.8	89%	0.888	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	9.8	-175	-28.2	0	0	0	0	115.9	N889	N889-S891 PolarHBondContact O-N 3.04Å
892	A	45.3	Very low	60.7	Low	99 Å²	99	85.6 Å²	85.6	82%	0.818	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.1	-7.2	-167.7	0	0	0	0	0	115.5	N890	N890-A892 PolarHBondContact O-N 3.25Å; N890-A892 VanDerWaalsContact O-N 3.09Å
893	A	45.7	Very low	60.9	Low	62 Å²	62	87 Å²	87	51%	0.512	51%	0.509	S	S	.	.	S	Bend	trans	-92.2	132.2	175.1	0	0	0	0	0	110.1
894	A	44	Very low	61.4	Low	75 Å²	75	89.1 Å²	89.1	62%	0.62	52%	0.519	S	S	*	.			trans	-44.7	146.9	-178.9	0	0	0	0	0	113.3	L896	A894-L896 PolarHBondContact O-N 3.37Å
895	P	40	Very low	61.8	Low	131 Å²	131	88.6 Å²	88.6	85%	0.851	52%	0.517	S	S	*	.			trans	-73.4	91	-165.6	30.4	-33.8	0	0	0	110.7
896	L	47.5	Very low	62.5	Low	119 Å²	119	85.8 Å²	85.8	62%	0.623	51%	0.506	S	S	*	.			trans	-63.7	136.8	153.2	-70.4	171.3	0	0	0	107.2	R844 A894 A898	R844-L896 HydrophobicContact CG-CD1 4.28Å; A894-L896 PolarHBondContact O-N 3.37Å; L896-A898 PolarHBondContact O-N 2.92Å
897	P	49.4	Very low	63.5	Low	111 Å²	111	81.6 Å²	81.6	72%	0.721	49%	0.488	S	S	*	.			trans	-52.6	137.3	175.4	19	-28.7	0	0	0	109.5	E899	P897-E899 PolarHBondContact O-N 2.88Å
898	A	54.5	Low	64.8	Low	88 Å²	88	75.6 Å²	75.6	73%	0.727	47%	0.47	S	S	*	.			trans	-62.3	103	-177.4	0	0	0	0	0	109.6	L896	L896-A898 PolarHBondContact O-N 2.92Å
899	E	63.4	Low	66.7	Low	109 Å²	109	70.4 Å²	70.4	51%	0.509	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-64	139	170.1	-73.7	171	-167.4	0	0	109.3	R844 P897	R844-E899 IonicContact CZ-OE2 3.27Å; R844-E899 IonicContact NH1-OE2 2.68Å; R844-E899 IonicContact NH2-OE1 3.57Å; R844-E899 PolarHBondContact NH2-OE1 2.95Å; R844-E899 IonicContact NH2-OE2 3.74Å; R844-E899 PolarHBondContact NH2-OE2 3.14Å; P897-E899 PolarHBondContact O-N 2.88Å
900	P	74.3	Confident	68.7	Low	42 Å²	42	63.4 Å²	63.4	27%	0.273	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-60.9	146.5	175.5	26.5	-33.3	0	0	0	110	E904 Y974	P900-E904 HydrophobicContact CB-CB 3.73Å; P900-Y974 VanDerWaalsContact CD-OH 3.25Å; P900-Y974 WeakPolarHBondContact CD-OH 3.33Å; P900-Y974 HydrophobicContact CG-CE1 4.41Å; P900-Y974 WeakPolarHBondContact CG-OH 3.29Å
901	T	81	Confident	70.8	Confident	60 Å²	60	61.7 Å²	61.7	37%	0.368	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-58.7	159.2	165.7	58.6	0	0	0	0	110.1	E903 E904 Y905	T901-E903 VanDerWaalsContact C-N 3.27Å; T901-E903 WeakPolarHBondContact CB-OE2 3.44Å; T901-E903 PolarHBondContact O-N 2.87Å; T901-E904 WeakPolarHBondContact CB-OE2 3.33Å; T901-E904 PolarHBondContact N-OE2 2.76Å; T901-E904 WeakPolarHBondContact O-CB 3.42Å; T901-E904 PolarHBondContact O-N 3.38Å; T901-E904 WeakPolarHBondContact OG1-CB 3.49Å; T901-E904 WeakPolarHBondContact OG1-CG 3.33Å; T901-E904 PolarHBondContact OG1-N 2.96Å; T901-E904 PolarHBondContact OG1-OE2 2.83Å; T901-Y905 PolarHBondContact O-N 3.08Å
902	M	84.4	Confident	72.9	Confident	4 Å²	4	59.5 Å²	59.5	2%	0.02	38%	0.379	C	S	.	.	H	α-helix	trans	-52.1	-47.2	179	179.3	-160.5	-56.1	0	0	111.7	Q852 L854 F884 E904 Y905 F906 I927 Y953	Q852-M902 HydrophobicContact CB-CE 3.33Å; Q852-M902 HydrophobicContact CG-CE 4.02Å; L854-M902 HydrophobicContact CD1-CE 3.5Å; L854-M902 VanDerWaalsContact CD1-CE 3.5Å; L854-M902 HydrophobicContact CD1-CG 3.99Å; L854-M902 HydrophobicContact CD1-SD 3.58Å; L854-M902 VanDerWaalsContact CD1-SD 3.58Å; L854-M902 HydrophobicContact CD2-CG 4.21Å; L854-M902 HydrophobicContact CD2-SD 3.67Å; L854-M902 HydrophobicContact CG-CE 4.29Å; L854-M902 HydrophobicContact CG-SD 3.96Å; F884-M902 HydrophobicContact CB-CB 4.25Å; F884-M902 HydrophobicContact CD1-CB 4.17Å; F884-M902 HydrophobicContact CD2-CB 3.83Å; F884-M902 HydrophobicContact CD2-CE 4.4Å; F884-M902 HydrophobicContact CD2-CG 3.68Å; F884-M902 HydrophobicContact CE2-CB 4.22Å; F884-M902 HydrophobicContact CE2-CG 3.78Å; F884-M902 HydrophobicContact CG-CB 3.8Å; F884-M902 HydrophobicContact CG-CG 4.2Å; F884-M902 HydrophobicContact CZ-CG 4.36Å; M902-E904 VanDerWaalsContact C-N 3.32Å; M902-E904 PolarHBondContact O-N 2.8Å; M902-Y905 PolarHBondContact O-N 3.45Å; M902-F906 HydrophobicContact CG-CD2 3.88Å; M902-F906 HydrophobicContact CG-CE2 3.86Å; M902-F906 VanDerWaalsContact O-CD2 3.24Å; M902-F906 WeakPolarHBondContact O-CD2 3.35Å; M902-F906 PolarHBondContact O-N 2.85Å; M902-I927 HydrophobicContact CE-CG2 4.43Å; M902-I927 HydrophobicContact CG-CD1 4.11Å; M902-I927 HydrophobicContact SD-CB 4.43Å; M902-I927 HydrophobicContact SD-CD1 3.27Å; M902-I927 WeakPolarHBondContact SD-CD1 3.39Å; M902-I927 HydrophobicContact SD-CG1 4.03Å; M902-I927 HydrophobicContact SD-CG2 3.81Å; M902-Y953 HydrophobicContact CE-CE2 4.39Å
903	E	87.6	Confident	75.1	Confident	29 Å²	29	60.8 Å²	60.8	14%	0.136	37%	0.367	C	S	.	.	H	α-helix	trans	-64.4	-34.4	178.3	58.5	-91.4	-136.4	0	0	112.7	T901 H907 K924	T901-E903 VanDerWaalsContact C-N 3.27Å; T901-E903 WeakPolarHBondContact CB-OE2 3.44Å; T901-E903 PolarHBondContact O-N 2.87Å; E903-H907 WeakPolarHBondContact O-CB 3.23Å; E903-H907 PolarHBondContact O-N 3.37Å; E903-K924 HydrophobicContact CB-CB 4.24Å; E903-K924 IonicContact OE1-NZ 3.99Å; E903-K924 PolarHBondContact OE1-NZ 2.97Å
904	E	88.4	Confident	77.2	Confident	74 Å²	74	60.2 Å²	60.2	35%	0.346	35%	0.354	S	S	.	.	H	α-helix	trans	-69.5	-42	175.7	-75.5	169.6	149.6	0	0	112.1	P900 T901 M902 A908 K920	P900-E904 HydrophobicContact CB-CB 3.73Å; T901-E904 WeakPolarHBondContact CB-OE2 3.33Å; T901-E904 PolarHBondContact N-OE2 2.76Å; T901-E904 WeakPolarHBondContact O-CB 3.42Å; T901-E904 PolarHBondContact O-N 3.38Å; T901-E904 WeakPolarHBondContact OG1-CB 3.49Å; T901-E904 WeakPolarHBondContact OG1-CG 3.33Å; T901-E904 PolarHBondContact OG1-N 2.96Å; T901-E904 PolarHBondContact OG1-OE2 2.83Å; M902-E904 VanDerWaalsContact C-N 3.32Å; M902-E904 PolarHBondContact O-N 2.8Å; E904-A908 WeakPolarHBondContact O-CB 3.47Å; E904-A908 PolarHBondContact O-N 3.18Å; E904-K920 HydrophobicContact CG-CD 4.03Å; E904-K920 IonicContact OE1-NZ 2.79Å
905	Y	90.1	Very high	79.4	Confident	2 Å²	2	60.3 Å²	60.3	1%	0.008	34%	0.34	C	S	.	.	H	α-helix	trans	-60.5	-54.9	175.6	179.9	-89.9	0	0	0	110.9	F884 T901 M902 H907 A908 I909 N973 Y974 M975 Y977	F884-Y905 HydrophobicContact CE1-CD1 4.23Å; F884-Y905 HydrophobicContact CE1-CD2 4.4Å; F884-Y905 AromaticContact CE1-CG 3.79Å; F884-Y905 HydrophobicContact CE1-CG 3.79Å; F884-Y905 AromaticContact CZ-CD1 3.74Å; F884-Y905 HydrophobicContact CZ-CD1 3.74Å; F884-Y905 AromaticContact CZ-CG 3.79Å; F884-Y905 HydrophobicContact CZ-CG 3.79Å; T901-Y905 PolarHBondContact O-N 3.08Å; M902-Y905 PolarHBondContact O-N 3.45Å; Y905-H907 VanDerWaalsContact C-N 3.35Å; Y905-H907 PolarHBondContact O-N 2.93Å; Y905-A908 WeakPolarHBondContact O-CB 3.47Å; Y905-A908 PolarHBondContact O-N 3.03Å; Y905-A908 VanDerWaalsContact O-N 3.15Å; Y905-I909 HydrophobicContact CD1-CD1 4.28Å; Y905-I909 HydrophobicContact CE1-CD1 3.67Å; Y905-I909 HydrophobicContact CE1-CG1 4.36Å; Y905-I909 PolarHBondContact O-N 3.33Å; Y905-N973 WeakPolarHBondContact OH-CA 3.28Å; Y905-N973 PolarHBondContact OH-OD1 2.87Å; Y905-Y974 HydrophobicContact CD2-CD1 4.45Å; Y905-Y974 AromaticContact CD2-CE1 3.56Å; Y905-Y974 HydrophobicContact CD2-CE1 3.56Å; Y905-Y974 AromaticContact CD2-CZ 3.59Å; Y905-Y974 WeakPolarHBondContact CD2-OH 3.45Å; Y905-Y974 AromaticContact CE2-CD1 3.96Å; Y905-Y974 HydrophobicContact CE2-CD1 3.96Å; Y905-Y974 AromaticContact CE2-CE1 3.49Å; Y905-Y974 HydrophobicContact CE2-CE1 3.49Å; Y905-Y974 VanDerWaalsContact CE2-CE1 3.49Å; Y905-Y974 HydrophobicContact CE2-CE2 4.2Å; Y905-Y974 HydrophobicContact CE2-CG 4.48Å; Y905-Y974 AromaticContact CE2-CZ 3.61Å; Y905-M975 HydrophobicContact CD2-CG 4.45Å; Y905-M975 HydrophobicContact CE2-CB 4.19Å; Y905-M975 HydrophobicContact CE2-CG 3.62Å; Y905-M975 WeakPolarHBondContact OH-CB 2.99Å; Y905-Y977 HydrophobicContact CD1-CE2 4.3Å; Y905-Y977 AromaticContact CE1-CD2 3.51Å; Y905-Y977 HydrophobicContact CE1-CD2 3.51Å; Y905-Y977 AromaticContact CE1-CE2 3.41Å; Y905-Y977 HydrophobicContact CE1-CE2 3.41Å; Y905-Y977 VanDerWaalsContact CE1-CE2 3.41Å; Y905-Y977 HydrophobicContact CE2-CE2 4.48Å; Y905-Y977 AromaticContact CZ-CD2 3.65Å; Y905-Y977 AromaticContact CZ-CE2 3.53Å; Y905-Y977 WeakPolarHBondContact OH-CD2 3.4Å; Y905-Y977 WeakPolarHBondContact OH-CE2 3.44Å
906	F	91.1	Very high	81.7	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-65	-39.5	-177.8	-76.8	-68.5	0	0	0	111.9	L854 I856 L867 P882 F884 M902 A908 I909 V910 L923 F963 L966	L854-F906 HydrophobicContact CD1-CE2 4.48Å; L854-F906 HydrophobicContact CD2-CD2 4.35Å; L854-F906 HydrophobicContact CD2-CE2 3.52Å; L854-F906 HydrophobicContact CD2-CZ 3.99Å; I856-F906 HydrophobicContact CD1-CE1 3.89Å; I856-F906 HydrophobicContact CD1-CZ 3.74Å; L867-F906 HydrophobicContact CD2-CE1 3.76Å; L867-F906 HydrophobicContact CD2-CZ 4.31Å; P882-F906 HydrophobicContact CB-CZ 3.96Å; P882-F906 HydrophobicContact CG-CZ 4.17Å; F884-F906 AromaticContact CE2-CE2 3.73Å; F884-F906 HydrophobicContact CE2-CE2 3.73Å; F884-F906 HydrophobicContact CE2-CZ 4.33Å; F884-F906 HydrophobicContact CZ-CD2 4.5Å; F884-F906 AromaticContact CZ-CE2 3.97Å; F884-F906 HydrophobicContact CZ-CE2 3.97Å; M902-F906 HydrophobicContact CG-CD2 3.88Å; M902-F906 HydrophobicContact CG-CE2 3.86Å; M902-F906 VanDerWaalsContact O-CD2 3.24Å; M902-F906 WeakPolarHBondContact O-CD2 3.35Å; M902-F906 PolarHBondContact O-N 2.85Å; F906-A908 VanDerWaalsContact C-N 3.27Å; F906-A908 PolarHBondContact O-N 2.72Å; F906-I909 HydrophobicContact CD1-CD1 3.99Å; F906-I909 HydrophobicContact CD1-CG1 4.46Å; F906-I909 HydrophobicContact CE1-CD1 4.41Å; F906-I909 CarbonylContact O-C 3.45Å; F906-I909 VanDerWaalsContact O-CG1 3.29Å; F906-I909 WeakPolarHBondContact O-CG1 3.38Å; F906-I909 PolarHBondContact O-N 3.07Å; F906-V910 WeakPolarHBondContact O-CG2 3.49Å; F906-V910 PolarHBondContact O-N 3.3Å; F906-V910 VanDerWaalsContact O-N 3.15Å; F906-L923 HydrophobicContact CB-CD1 4.08Å; F906-L923 HydrophobicContact CB-CD2 4.4Å; F906-F963 HydrophobicContact CD1-CD1 4.28Å; F906-F963 AromaticContact CD1-CE1 3.93Å; F906-F963 HydrophobicContact CD1-CE1 3.93Å; F906-F963 HydrophobicContact CD2-CE1 4.16Å; F906-F963 HydrophobicContact CE1-CD1 4.42Å; F906-F963 HydrophobicContact CE1-CE1 4.11Å; F906-F963 HydrophobicContact CE2-CE1 4.34Å; F906-F963 AromaticContact CG-CE1 3.97Å; F906-F963 HydrophobicContact CG-CE1 3.97Å; F906-F963 HydrophobicContact CZ-CE1 4.32Å; F906-L966 HydrophobicContact CD1-CD1 3.98Å; F906-L966 HydrophobicContact CD1-CD2 4.11Å; F906-L966 HydrophobicContact CE1-CD1 4.11Å
907	H	91	Very high	83.7	Confident	45 Å²	45	61.7 Å²	61.7	21%	0.208	34%	0.337	C	S	.	.	H	α-helix	trans	-61.4	-35.1	175.1	-179.5	-91.6	0	0	0	112.5	E903 Y905 I909 V910 C918 K920 L923	E903-H907 WeakPolarHBondContact O-CB 3.23Å; E903-H907 PolarHBondContact O-N 3.37Å; Y905-H907 VanDerWaalsContact C-N 3.35Å; Y905-H907 PolarHBondContact O-N 2.93Å; H907-I909 VanDerWaalsContact C-N 3.27Å; H907-I909 PolarHBondContact O-N 3.23Å; H907-V910 PolarHBondContact O-N 3.35Å; H907-C918 PolarHBondContact CD2-O 2.87Å; H907-K920 HydrophobicContact CB-CG 3.79Å; H907-L923 HydrophobicContact CB-CD1 3.81Å
908	A	89.6	Confident	85.7	Confident	42 Å²	42	56.6 Å²	56.6	35%	0.347	30%	0.304	S	S	.	.	H	α-helix	trans	-63.4	-33.3	177.2	0	0	0	0	0	112.6	E904 Y905 F906	E904-A908 WeakPolarHBondContact O-CB 3.47Å; E904-A908 PolarHBondContact O-N 3.18Å; Y905-A908 WeakPolarHBondContact O-CB 3.47Å; Y905-A908 PolarHBondContact O-N 3.03Å; Y905-A908 VanDerWaalsContact O-N 3.15Å; F906-A908 VanDerWaalsContact C-N 3.27Å; F906-A908 PolarHBondContact O-N 2.72Å
909	I	91.7	Very high	87.4	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	10.3	-179.3	61.6	163.6	0	0	0	113.9	Y905 F906 H907 L966 D967 L968 G972 N973	Y905-I909 HydrophobicContact CD1-CD1 4.28Å; Y905-I909 HydrophobicContact CE1-CD1 3.67Å; Y905-I909 HydrophobicContact CE1-CG1 4.36Å; Y905-I909 PolarHBondContact O-N 3.33Å; F906-I909 HydrophobicContact CD1-CD1 3.99Å; F906-I909 HydrophobicContact CD1-CG1 4.46Å; F906-I909 HydrophobicContact CE1-CD1 4.41Å; F906-I909 CarbonylContact O-C 3.45Å; F906-I909 VanDerWaalsContact O-CG1 3.29Å; F906-I909 WeakPolarHBondContact O-CG1 3.38Å; F906-I909 PolarHBondContact O-N 3.07Å; H907-I909 VanDerWaalsContact C-N 3.27Å; H907-I909 PolarHBondContact O-N 3.23Å; I909-L966 HydrophobicContact CD1-CD1 4.25Å; I909-L966 HydrophobicContact CD1-CD2 4.22Å; I909-L966 HydrophobicContact CG1-CD2 4.11Å; I909-L966 CarbonylContact O-C 3.55Å; I909-L966 WeakPolarHBondContact O-CA 3.46Å; I909-D967 PolarHBondContact O-N 2.68Å; I909-L968 HydrophobicContact CD1-CD2 4.05Å; I909-G972 WeakPolarHBondContact CG2-O 3.5Å; I909-N973 HydrophobicContact CG2-CB 3.95Å; I909-N973 VanDerWaalsContact CG2-N 3.33Å
910	V	92	Very high	88.7	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-73.6	136.6	168.6	166.9	0	0	0	0	109.2	F906 H907 H914 K915 C918 L923 L966	F906-V910 WeakPolarHBondContact O-CG2 3.49Å; F906-V910 PolarHBondContact O-N 3.3Å; F906-V910 VanDerWaalsContact O-N 3.15Å; H907-V910 PolarHBondContact O-N 3.35Å; V910-H914 HydrophobicContact CG1-CB 3.9Å; V910-K915 HydrophobicContact CB-CG 4.37Å; V910-K915 HydrophobicContact CG1-CG 4.14Å; V910-K915 VanDerWaalsContact O-CE 3.27Å; V910-K915 WeakPolarHBondContact O-CE 3.42Å; V910-C918 HydrophobicContact CG1-CB 4.08Å; V910-C918 HydrophobicContact CG2-CB 4.29Å; V910-L923 HydrophobicContact CG2-CD1 4.36Å; V910-L966 HydrophobicContact CG2-CD2 4.04Å
911	K	91.1	Very high	89.4	Confident	76 Å²	76	57 Å²	57	33%	0.33	29%	0.29	S	S	.	.			trans	-50.5	134.4	173.9	-75.5	178.5	178.2	-166.9	0	111.5	E913 H914 K915 H965 D967	K911-E913 VanDerWaalsContact C-N 3.26Å; K911-E913 HydrophobicContact CB-CG 4.42Å; K911-E913 WeakPolarHBondContact CD-OE1 3.11Å; K911-E913 PolarHBondContact O-N 2.88Å; K911-E913 VanDerWaalsContact O-N 3.11Å; K911-H914 PolarHBondContact O-N 2.81Å; K911-K915 PolarHBondContact O-N 3.5Å; K911-H965 WeakPolarHBondContact CG-O 3.37Å; K911-H965 PolarHBondContact N-O 3.1Å; K911-D967 HydrophobicContact CG-CB 3.77Å
912	P	88.8	Confident	89.8	Confident	82 Å²	82	58 Å²	58	53%	0.532	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-49.7	-41.5	-173.7	-28.8	35.5	0	0	0	114.7	H914 K915	P912-H914 PolarHBondContact O-N 2.8Å; P912-K915 PolarHBondContact O-N 3.23Å
913	E	90.6	Very high	90	Very high	125 Å²	125	57.8 Å²	57.8	58%	0.584	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-63.7	-23	179.3	61.7	-88.8	-158.7	0	0	113.9	K911	K911-E913 VanDerWaalsContact C-N 3.26Å; K911-E913 HydrophobicContact CB-CG 4.42Å; K911-E913 WeakPolarHBondContact CD-OE1 3.11Å; K911-E913 PolarHBondContact O-N 2.88Å; K911-E913 VanDerWaalsContact O-N 3.11Å
914	H	91.4	Very high	90.1	Very high	51 Å²	51	61 Å²	61	24%	0.236	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-105.1	-2.4	179.8	-64	-59.4	0	0	0	113.5	V910 K911 P912 K916 S917 C918 H965	V910-H914 HydrophobicContact CG1-CB 3.9Å; K911-H914 PolarHBondContact O-N 2.81Å; P912-H914 PolarHBondContact O-N 2.8Å; H914-K916 VanDerWaalsContact C-N 3.26Å; H914-K916 PolarHBondContact O-N 3.19Å; H914-S917 PolarHBondContact O-N 3.38Å; H914-S917 VanDerWaalsContact O-N 3.16Å; H914-S917 PolarHBondContact O-OG 2.95Å; H914-S917 VanDerWaalsContact O-OG 3.05Å; H914-C918 WeakPolarHBondContact O-CB 3.43Å; H914-C918 PolarHBondContact O-N 3.28Å; H914-H965 HydrophobicContact CB-CB 3.98Å; H914-H965 AromaticContact CD2-CE1 3.99Å; H914-H965 AromaticContact CD2-CG 3.44Å; H914-H965 VanDerWaalsContact CD2-CG 3.44Å; H914-H965 AromaticContact CD2-ND1 3.27Å; H914-H965 PolarHBondContact CD2-ND1 3.2Å; H914-H965 VanDerWaalsContact CD2-ND1 3.27Å; H914-H965 AromaticContact CE1-CE1 3.65Å; H914-H965 AromaticContact CE1-ND1 3.7Å; H914-H965 AromaticContact CG-CG 3.69Å; H914-H965 AromaticContact CG-ND1 3.86Å; H914-H965 AromaticContact NE2-CE1 3.51Å; H914-H965 AromaticContact NE2-CG 3.79Å; H914-H965 AromaticContact NE2-ND1 3.13Å; H914-H965 PolarHBondContact NE2-ND1 2.83Å; H914-H965 VanDerWaalsContact NE2-ND1 3.13Å
915	K	89.4	Confident	90	Very high	76 Å²	76	59 Å²	59	33%	0.33	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-36.4	-179.5	-79.1	-173.2	174.6	176.4	0	113	V910 K911 P912 C918	V910-K915 HydrophobicContact CB-CG 4.37Å; V910-K915 HydrophobicContact CG1-CG 4.14Å; V910-K915 VanDerWaalsContact O-CE 3.27Å; V910-K915 WeakPolarHBondContact O-CE 3.42Å; K911-K915 PolarHBondContact O-N 3.5Å; P912-K915 PolarHBondContact O-N 3.23Å; K915-C918 CarbonylContact O-C 3.47Å
916	K	87.4	Confident	89.8	Confident	207 Å²	207	58.9 Å²	58.9	90%	0.9	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-42.4	176.5	-71.1	-174.8	-179.9	179.3	0	112.6	H914	H914-K916 VanDerWaalsContact C-N 3.26Å; H914-K916 PolarHBondContact O-N 3.19Å
917	S	90	Very high	89.6	Confident	73 Å²	73	59.1 Å²	59.1	51%	0.51	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-24.2	-179.9	55.1	0	0	0	0	113	H914	H914-S917 PolarHBondContact O-N 3.38Å; H914-S917 VanDerWaalsContact O-N 3.16Å; H914-S917 PolarHBondContact O-OG 2.95Å; H914-S917 VanDerWaalsContact O-OG 3.05Å
918	C	91.9	Very high	89.2	Confident	3 Å²	3	60.4 Å²	60.4	2%	0.02	31%	0.305	C	S	.	.	S	Bend	trans	-114.6	64	179.9	-68.8	0	0	0	0	111.5	H907 V910 H914 K915 C962	H907-C918 PolarHBondContact CD2-O 2.87Å; V910-C918 HydrophobicContact CG1-CB 4.08Å; V910-C918 HydrophobicContact CG2-CB 4.29Å; H914-C918 WeakPolarHBondContact O-CB 3.43Å; H914-C918 PolarHBondContact O-N 3.28Å; K915-C918 CarbonylContact O-C 3.47Å; C918-C962 VanDerWaalsContact CA-SG 3.5Å; C918-C962 HydrophobicContact CB-CB 3.75Å; C918-C962 WeakPolarHBondContact CB-SG 3.37Å; C918-C962 WeakPolarHBondContact SG-CA 3.49Å; C918-C962 WeakPolarHBondContact SG-CB 3.13Å; C918-C962 CovalentContact SG-SG 2.05Å; C918-C962 PolarHBondContact SG-SG 2.88Å
919	S	90.9	Very high	88.9	Confident	37 Å²	37	67.4 Å²	67.4	26%	0.259	32%	0.323	S	S	.	.			trans	-64.1	164.5	176.5	86.3	0	0	0	0	112.7	E921 K922 L923	S919-E921 VanDerWaalsContact C-N 3.26Å; S919-E921 VanDerWaalsContact CB-OE2 3.29Å; S919-E921 WeakPolarHBondContact CB-OE2 3.41Å; S919-E921 PolarHBondContact O-N 3.04Å; S919-E921 PolarHBondContact OG-N 3.45Å; S919-E921 PolarHBondContact OG-OE2 3.05Å; S919-K922 WeakPolarHBondContact O-CB 3.47Å; S919-K922 PolarHBondContact O-N 3.43Å; S919-K922 VanDerWaalsContact O-N 3.12Å; S919-K922 PolarHBondContact OG-N 3.37Å; S919-K922 VanDerWaalsContact OG-N 3.13Å; S919-L923 PolarHBondContact O-N 3.15Å
920	K	89.8	Confident	88.4	Confident	78 Å²	78	68.7 Å²	68.7	34%	0.339	33%	0.329	S	S	.	.	H	α-helix	trans	-55.5	-42.7	173.9	-67.4	-177.1	-178.1	-177	0	111.5	E904 H907 L923 K924	E904-K920 HydrophobicContact CG-CD 4.03Å; E904-K920 IonicContact OE1-NZ 2.79Å; H907-K920 HydrophobicContact CB-CG 3.79Å; K920-L923 PolarHBondContact O-N 3.37Å; K920-K924 WeakPolarHBondContact O-CB 3.25Å; K920-K924 PolarHBondContact O-N 2.74Å
921	E	89.4	Confident	87.9	Confident	133 Å²	133	77.2 Å²	77.2	62%	0.621	36%	0.362	S	S	*	.	H	α-helix	trans	-65.3	-39.9	178	-56.6	70.1	-148.3	0	0	111	S919 K924 S925	S919-E921 VanDerWaalsContact C-N 3.26Å; S919-E921 VanDerWaalsContact CB-OE2 3.29Å; S919-E921 WeakPolarHBondContact CB-OE2 3.41Å; S919-E921 PolarHBondContact O-N 3.04Å; S919-E921 PolarHBondContact OG-N 3.45Å; S919-E921 PolarHBondContact OG-OE2 3.05Å; E921-K924 PolarHBondContact O-N 2.96Å; E921-S925 VanDerWaalsContact O-CB 3.28Å; E921-S925 WeakPolarHBondContact O-CB 2.99Å; E921-S925 PolarHBondContact O-N 3.3Å; E921-S925 PolarHBondContact O-OG 3.47Å
922	K	89.1	Confident	87.5	Confident	80 Å²	80	79.1 Å²	79.1	35%	0.348	37%	0.37	S	S	.	.	H	α-helix	trans	-63.7	-50.5	177	-176.8	58.2	176.1	173.4	0	110.8	S919 K924 S925 T926	S919-K922 WeakPolarHBondContact O-CB 3.47Å; S919-K922 PolarHBondContact O-N 3.43Å; S919-K922 VanDerWaalsContact O-N 3.12Å; S919-K922 PolarHBondContact OG-N 3.37Å; S919-K922 VanDerWaalsContact OG-N 3.13Å; K922-K924 PolarHBondContact O-N 3.35Å; K922-S925 PolarHBondContact O-N 2.8Å; K922-S925 PolarHBondContact O-OG 3.03Å; K922-T926 WeakPolarHBondContact O-CB 3.18Å; K922-T926 PolarHBondContact O-N 3.01Å; K922-T926 PolarHBondContact O-OG1 2.9Å
923	L	89.6	Confident	87	Confident	0 Å²	0	78.1 Å²	78.1	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-56.1	-48.1	176	-76.8	165.2	0	0	0	111.8	F906 H907 V910 S919 K920 S925 T926 I927 C962 F963	F906-L923 HydrophobicContact CB-CD1 4.08Å; F906-L923 HydrophobicContact CB-CD2 4.4Å; H907-L923 HydrophobicContact CB-CD1 3.81Å; V910-L923 HydrophobicContact CG2-CD1 4.36Å; S919-L923 PolarHBondContact O-N 3.15Å; K920-L923 PolarHBondContact O-N 3.37Å; L923-S925 PolarHBondContact O-N 2.6Å; L923-T926 WeakPolarHBondContact O-CB 3.2Å; L923-T926 PolarHBondContact O-N 3.17Å; L923-I927 VanDerWaalsContact O-CD1 3.3Å; L923-I927 WeakPolarHBondContact O-CD1 3.33Å; L923-I927 WeakPolarHBondContact O-CG1 3.34Å; L923-I927 PolarHBondContact O-N 3Å; L923-C962 HydrophobicContact CD2-CB 3.74Å; L923-F963 HydrophobicContact CD2-CE1 4.45Å; L923-F963 HydrophobicContact CD2-CZ 4.27Å
924	K	88.8	Confident	86.5	Confident	97 Å²	97	75.6 Å²	75.6	42%	0.422	36%	0.359	S	S	.	.	H	α-helix	trans	-58.1	-49.3	176	-173.8	-179.7	-164.9	133.9	0	112	E903 K920 E921 K922 T926 I927 D928	E903-K924 HydrophobicContact CB-CB 4.24Å; E903-K924 IonicContact OE1-NZ 3.99Å; E903-K924 PolarHBondContact OE1-NZ 2.97Å; K920-K924 WeakPolarHBondContact O-CB 3.25Å; K920-K924 PolarHBondContact O-N 2.74Å; E921-K924 PolarHBondContact O-N 2.96Å; K922-K924 PolarHBondContact O-N 3.35Å; K924-T926 VanDerWaalsContact C-N 3.29Å; K924-T926 PolarHBondContact O-N 2.76Å; K924-I927 PolarHBondContact O-N 3.37Å; K924-D928 PolarHBondContact O-N 2.76Å
925	S	86.6	Confident	86	Confident	32 Å²	32	74.7 Å²	74.7	22%	0.224	36%	0.363	C	S	.	.	H	α-helix	trans	-61	-39.2	178.7	78.3	0	0	0	0	112.3	E921 K922 L923 R929	E921-S925 VanDerWaalsContact O-CB 3.28Å; E921-S925 WeakPolarHBondContact O-CB 2.99Å; E921-S925 PolarHBondContact O-N 3.3Å; E921-S925 PolarHBondContact O-OG 3.47Å; K922-S925 PolarHBondContact O-N 2.8Å; K922-S925 PolarHBondContact O-OG 3.03Å; L923-S925 PolarHBondContact O-N 2.6Å; S925-R929 WeakPolarHBondContact O-CB 3.27Å; S925-R929 WeakPolarHBondContact O-CD 3.24Å; S925-R929 WeakPolarHBondContact O-CG 3.3Å; S925-R929 PolarHBondContact O-N 3.45Å; S925-R929 VanDerWaalsContact O-N 3.09Å
926	T	85.9	Confident	85.6	Confident	0 Å²	0	73.8 Å²	73.8	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-61.4	-50	175.8	-76.5	0	0	0	0	110.2	K922 L923 K924 D928 R929 N930 E960 F963	K922-T926 WeakPolarHBondContact O-CB 3.18Å; K922-T926 PolarHBondContact O-N 3.01Å; K922-T926 PolarHBondContact O-OG1 2.9Å; L923-T926 WeakPolarHBondContact O-CB 3.2Å; L923-T926 PolarHBondContact O-N 3.17Å; K924-T926 VanDerWaalsContact C-N 3.29Å; K924-T926 PolarHBondContact O-N 2.76Å; T926-D928 PolarHBondContact O-N 3.38Å; T926-R929 PolarHBondContact O-N 3.09Å; T926-N930 PolarHBondContact O-N 3.34Å; T926-N930 PolarHBondContact O-ND2 2.8Å; T926-E960 WeakPolarHBondContact CB-OE2 3.22Å; T926-E960 HydrophobicContact CG2-CB 3.65Å; T926-E960 HydrophobicContact CG2-CG 3.52Å; T926-E960 WeakPolarHBondContact CG2-OE2 3.07Å; T926-E960 PolarHBondContact OG1-OE2 3.07Å; T926-F963 HydrophobicContact CG2-CD2 4.24Å; T926-F963 HydrophobicContact CG2-CE2 3.66Å
927	I	86.9	Confident	85	Confident	4 Å²	4	64 Å²	64	2%	0.021	32%	0.315	C	S	.	.	H	α-helix	trans	-61.8	-47.6	-179.9	-69.4	152.4	0	0	0	110.5	L854 M902 L923 K924 R929 N930 Y953 I955 F963	L854-I927 HydrophobicContact CD2-CD1 4.32Å; L854-I927 HydrophobicContact CD2-CG1 4.31Å; M902-I927 HydrophobicContact CE-CG2 4.43Å; M902-I927 HydrophobicContact CG-CD1 4.11Å; M902-I927 HydrophobicContact SD-CB 4.43Å; M902-I927 HydrophobicContact SD-CD1 3.27Å; M902-I927 WeakPolarHBondContact SD-CD1 3.39Å; M902-I927 HydrophobicContact SD-CG1 4.03Å; M902-I927 HydrophobicContact SD-CG2 3.81Å; L923-I927 VanDerWaalsContact O-CD1 3.3Å; L923-I927 WeakPolarHBondContact O-CD1 3.33Å; L923-I927 WeakPolarHBondContact O-CG1 3.34Å; L923-I927 PolarHBondContact O-N 3Å; K924-I927 PolarHBondContact O-N 3.37Å; I927-R929 VanDerWaalsContact C-N 3.31Å; I927-R929 PolarHBondContact O-N 3.08Å; I927-N930 PolarHBondContact O-N 3.46Å; I927-Y953 HydrophobicContact CG2-CD1 3.56Å; I927-Y953 HydrophobicContact CG2-CD2 4.16Å; I927-Y953 HydrophobicContact CG2-CE1 3.63Å; I927-Y953 HydrophobicContact CG2-CE2 4.25Å; I927-Y953 HydrophobicContact CG2-CG 3.81Å; I927-Y953 VanDerWaalsContact O-CD1 3.22Å; I927-Y953 WeakPolarHBondContact O-CD1 3.05Å; I927-I955 HydrophobicContact CG1-CD1 3.77Å; I927-F963 HydrophobicContact CD1-CZ 4.01Å; I927-F963 HydrophobicContact CG1-CE2 4.28Å; I927-F963 HydrophobicContact CG1-CZ 3.8Å
928	D	82.5	Confident	84.2	Confident	72 Å²	72	62.4 Å²	62.4	39%	0.385	31%	0.306	S	S	.	.	H	α-helix	trans	-68	-27	-176.1	-77.4	-29.6	0	0	0	114	K924 T926	K924-D928 PolarHBondContact O-N 2.76Å; T926-D928 PolarHBondContact O-N 3.38Å
929	R	83	Confident	83.5	Confident	190 Å²	190	62.9 Å²	62.9	72%	0.717	31%	0.308	S	S	*	.	H	α-helix	trans	-78.5	-20.2	175.9	-74.6	172.1	-173.2	-163.3	1.7	113.9	S925 T926 I927	S925-R929 WeakPolarHBondContact O-CB 3.27Å; S925-R929 WeakPolarHBondContact O-CD 3.24Å; S925-R929 WeakPolarHBondContact O-CG 3.3Å; S925-R929 PolarHBondContact O-N 3.45Å; S925-R929 VanDerWaalsContact O-N 3.09Å; T926-R929 PolarHBondContact O-N 3.09Å; I927-R929 VanDerWaalsContact C-N 3.31Å; I927-R929 PolarHBondContact O-N 3.08Å
930	N	82.3	Confident	82.6	Confident	26 Å²	26	63 Å²	63	14%	0.139	31%	0.308	C	S	.	.	S	Bend	trans	-77.1	165.1	-176.4	-92	-78.1	0	0	0	112.4	T926 I927 K932 L954 I955	T926-N930 PolarHBondContact O-N 3.34Å; T926-N930 PolarHBondContact O-ND2 2.8Å; I927-N930 PolarHBondContact O-N 3.46Å; N930-K932 PolarHBondContact O-N 2.89Å; N930-L954 WeakPolarHBondContact CB-O 3.29Å; N930-L954 PolarHBondContact OD1-O 3.4Å; N930-I955 HydrophobicContact CB-CG1 4.27Å
931	R	81.5	Confident	82.3	Confident	179 Å²	179	60.4 Å²	60.4	68%	0.675	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.1	128.7	176.9	-69.2	179.2	178.4	172.8	-1.4	109	L954	R931-L954 HydrophobicContact CB-CB 4.43Å; R931-L954 PolarHBondContact O-N 3.4Å
932	K	82.5	Confident	82.1	Confident	117 Å²	117	54.1 Å²	54.1	51%	0.509	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	148.5	178.6	70.8	-171.6	178.6	-167.5	0	112.1	N930 T951 I952 Y953	N930-K932 PolarHBondContact O-N 2.89Å; K932-T951 HydrophobicContact CB-CG2 3.95Å; K932-T951 HydrophobicContact CD-CG2 4.13Å; K932-T951 HydrophobicContact CG-CG2 4.35Å; K932-I952 CarbonylContact C-O 3.48Å; K932-I952 WeakPolarHBondContact CA-O 3.49Å; K932-Y953 HydrophobicContact CB-CD1 3.82Å; K932-Y953 HydrophobicContact CB-CE1 4.06Å; K932-Y953 HydrophobicContact CB-CG 4.39Å; K932-Y953 HydrophobicContact CD-CD1 4.41Å; K932-Y953 HydrophobicContact CD-CE1 3.84Å
933	V	78.5	Confident	82.1	Confident	60 Å²	60	50.3 Å²	50.3	36%	0.364	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	131.3	171.8	172.9	0	0	0	0	107.2	L403 T951 I952	L403-V933 HydrophobicContact CB-CG1 4.44Å; L403-V933 HydrophobicContact CD2-CB 4.44Å; L403-V933 HydrophobicContact CD2-CG1 3.78Å; L403-V933 HydrophobicContact CD2-CG2 3.75Å; L403-V933 HydrophobicContact CG-CG1 4.47Å; V933-T951 CarbonylContact O-C 3.42Å; V933-T951 VanDerWaalsContact O-CA 3.29Å; V933-T951 WeakPolarHBondContact O-CA 3.42Å; V933-I952 PolarHBondContact N-O 3.49Å; V933-I952 PolarHBondContact O-N 3.21Å
934	S	79.5	Confident	82	Confident	73 Å²	73	50.3 Å²	50.3	51%	0.51	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	140.8	175.4	-59.2	0	0	0	0	110.3	T950 T951	S934-T950 VanDerWaalsContact CA-O 3.3Å; S934-T950 WeakPolarHBondContact CA-O 3.31Å; S934-T951 WeakPolarHBondContact OG-CB 3.31Å; S934-T951 WeakPolarHBondContact OG-CG2 3.07Å; S934-T951 PolarHBondContact OG-OG1 3.27Å
935	G	80.1	Confident	82	Confident	31 Å²	31	46 Å²	46	32%	0.32	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.2	-178.4	176.8	0	0	0	0	0	113.7	E949 T950	G935-E949 CarbonylContact O-C 3.44Å; G935-E949 WeakPolarHBondContact O-CA 3.39Å; G935-T950 PolarHBondContact N-O 3.2Å; G935-T950 PolarHBondContact O-N 3.36Å
936	Y	80.6	Confident	82.1	Confident	57 Å²	57	44.5 Å²	44.5	22%	0.224	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	138.2	169.5	172.7	-103.2	0	0	0	110.4	N830 P831 A938 W947	N830-Y936 WeakPolarHBondContact OD1-CE2 3.33Å; N830-Y936 PolarHBondContact OD1-OH 2.9Å; P831-Y936 HydrophobicContact CG-CD2 3.63Å; P831-Y936 HydrophobicContact CG-CE2 4.17Å; P831-Y936 HydrophobicContact CG-CG 4.3Å; Y936-A938 HydrophobicContact CE1-CB 4.27Å; Y936-W947 HydrophobicContact CD2-CB 4.49Å; Y936-W947 AromaticContact CD2-CD1 3.87Å; Y936-W947 HydrophobicContact CD2-CG 4.41Å; Y936-W947 HydrophobicContact CE2-CB 3.94Å; Y936-W947 HydrophobicContact CE2-CG 4.29Å
937	F	75.8	Confident	82.3	Confident	3 Å²	3	45.5 Å²	45.5	1%	0.013	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	120.9	178.4	-177.2	-95.7	0	0	0	110	F410 L414 M851 M853 H939 V948 T950	F410-F937 HydrophobicContact CB-CE2 4.23Å; L414-F937 HydrophobicContact CD1-CE1 4.48Å; L414-F937 HydrophobicContact CD1-CE2 3.77Å; L414-F937 HydrophobicContact CD1-CZ 3.4Å; L414-F937 VanDerWaalsContact CD1-CZ 3.4Å; M851-F937 HydrophobicContact CE-CD1 3.94Å; M851-F937 HydrophobicContact CE-CE1 4.04Å; M851-F937 HydrophobicContact CE-CG 4.48Å; M853-F937 HydrophobicContact CE-CE2 4.11Å; M853-F937 HydrophobicContact CE-CZ 4.12Å; F937-H939 HydrophobicContact CD1-CB 4.19Å; F937-H939 HydrophobicContact CE1-CB 4.48Å; F937-H939 PolarHBondContact O-N 2.74Å; F937-V948 HydrophobicContact CB-CG1 4.44Å; F937-V948 HydrophobicContact CD1-CB 4.48Å; F937-V948 HydrophobicContact CD1-CG1 4.38Å; F937-V948 PolarHBondContact N-O 3.4Å; F937-T950 WeakPolarHBondContact CB-OG1 3.36Å; F937-T950 WeakPolarHBondContact CG-OG1 3.38Å
938	A	73.1	Confident	82.2	Confident	39 Å²	39	45.3 Å²	45.3	32%	0.322	23%	0.226	S	C	.	.			trans	-68.1	100.2	177.6	0	0	0	0	0	110.2	Y936	Y936-A938 HydrophobicContact CE1-CB 4.27Å
939	H	76.5	Confident	82.4	Confident	13 Å²	13	44.2 Å²	44.2	6%	0.06	22%	0.218	C	C	.	.			trans	-105.1	138.8	-176.9	-167.7	-87.9	0	0	0	111	L415 Y885 F937 N941 A942 V948	L415-H939 WeakPolarHBondContact CD1-NE2 3.43Å; Y885-H939 PolarHBondContact OH-NE2 2.85Å; F937-H939 HydrophobicContact CD1-CB 4.19Å; F937-H939 HydrophobicContact CE1-CB 4.48Å; F937-H939 PolarHBondContact O-N 2.74Å; H939-N941 WeakPolarHBondContact ND1-CB 3.41Å; H939-N941 PolarHBondContact ND1-N 3.22Å; H939-N941 VanDerWaalsContact ND1-N 3.12Å; H939-N941 PolarHBondContact O-N 2.85Å; H939-A942 HydrophobicContact CB-CB 4.35Å; H939-A942 WeakPolarHBondContact O-CB 3.2Å; H939-A942 PolarHBondContact O-N 3.49Å; H939-V948 HydrophobicContact CB-CB 3.98Å; H939-V948 HydrophobicContact CB-CG2 3.53Å
940	P	73.5	Confident	82.4	Confident	39 Å²	39	35.3 Å²	35.3	25%	0.253	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-31.5	-178.7	23.5	-34.7	0	0	0	113.4	L415 A942	L415-P940 HydrophobicContact CB-CG 3.72Å; L415-P940 HydrophobicContact CD1-CG 3.51Å; L415-P940 HydrophobicContact CG-CG 4.26Å; P940-A942 VanDerWaalsContact C-N 3.29Å; P940-A942 PolarHBondContact O-N 3.27Å
941	N	82.2	Confident	82.5	Confident	23 Å²	23	35.4 Å²	35.4	12%	0.123	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	0.4	176.7	-56.5	-8.9	0	0	0	113.4	Y778 S779 M842 L843 H939	Y778-N941 PolarHBondContact OH-O 2.96Å; S779-N941 WeakPolarHBondContact CB-OD1 3.35Å; S779-N941 PolarHBondContact OG-OD1 3.12Å; M842-N941 HydrophobicContact CB-CB 4.09Å; L843-N941 HydrophobicContact CD2-CB 4.16Å; L843-N941 HydrophobicContact CG-CB 4.28Å; H939-N941 WeakPolarHBondContact ND1-CB 3.41Å; H939-N941 PolarHBondContact ND1-N 3.22Å; H939-N941 VanDerWaalsContact ND1-N 3.12Å; H939-N941 PolarHBondContact O-N 2.85Å
942	A	85.2	Confident	82.7	Confident	2 Å²	2	27.8 Å²	27.8	2%	0.017	16%	0.159	C	C	.	.			trans	-65.7	140	177.9	0	0	0	0	0	111.4	T835 H939 P940 A946	T835-A942 PolarHBondContact OG1-O 3.15Å; H939-A942 HydrophobicContact CB-CB 4.35Å; H939-A942 WeakPolarHBondContact O-CB 3.2Å; H939-A942 PolarHBondContact O-N 3.49Å; P940-A942 VanDerWaalsContact C-N 3.29Å; P940-A942 PolarHBondContact O-N 3.27Å; A942-A946 CarbonylContact C-O 3.6Å; A942-A946 WeakPolarHBondContact CA-O 3.4Å
943	T	88.7	Confident	82.8	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	14%	0.137	C	C	.	.			trans	-113.1	178.9	175.9	70.1	0	0	0	0	109.2	N830 T835 I837 G839 N945 A946	N830-T943 VanDerWaalsContact CB-O 3.31Å; N830-T943 WeakPolarHBondContact CB-O 3.09Å; N830-T943 PolarHBondContact ND2-O 2.86Å; T835-T943 WeakPolarHBondContact OG1-CA 3.4Å; I837-T943 HydrophobicContact CG2-CG2 3.94Å; I837-T943 WeakPolarHBondContact O-CB 3.34Å; G839-T943 VanDerWaalsContact O-CB 3.32Å; G839-T943 WeakPolarHBondContact O-CB 3.48Å; G839-T943 WeakPolarHBondContact O-CG2 3.31Å; G839-T943 PolarHBondContact O-OG1 3.15Å; T943-N945 PolarHBondContact O-N 3.49Å; T943-N945 PolarHBondContact OG1-N 2.96Å; T943-N945 VanDerWaalsContact OG1-N 3.1Å; T943-A946 PolarHBondContact N-O 2.79Å; T943-A946 PolarHBondContact OG1-N 2.89Å
944	D	89	Confident	83.2	Confident	0 Å²	0	22 Å²	22	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	-58.8	-24.2	169.1	-77.7	8.3	0	0	0	112.7	W795 Y802 N830 R834 T835 G836 I837 V838	W795-D944 HydrophobicContact CH2-CB 3.96Å; W795-D944 HydrophobicContact CZ2-CB 4.26Å; Y802-D944 WeakPolarHBondContact CE1-OD2 3.17Å; Y802-D944 VanDerWaalsContact CZ-OD2 3.25Å; Y802-D944 PolarHBondContact OH-OD1 3.26Å; Y802-D944 PolarHBondContact OH-OD2 3.17Å; N830-D944 WeakPolarHBondContact CB-O 3.09Å; N830-D944 PolarHBondContact N-O 3.37Å; R834-D944 VanDerWaalsContact CA-OD1 3.28Å; R834-D944 WeakPolarHBondContact CA-OD1 3.45Å; T835-D944 PolarHBondContact N-OD1 2.86Å; T835-D944 PolarHBondContact OG1-N 2.98Å; T835-D944 PolarHBondContact OG1-OD1 3.13Å; G836-D944 PolarHBondContact N-OD1 3.12Å; I837-D944 WeakPolarHBondContact O-CB 3.42Å; I837-D944 PolarHBondContact O-N 3.02Å; V838-D944 HydrophobicContact CG1-CB 3.7Å; V838-D944 WeakPolarHBondContact CG1-OD2 3.39Å
945	N	88.1	Confident	83.5	Confident	7 Å²	7	18.5 Å²	18.5	4%	0.037	11%	0.107	C	C	.	.	S	Bend	trans	-118.2	-10.7	-171.4	-50.2	113.1	0	0	0	114.8	P828 V838 G839 M846 G847 T943	P828-N945 VanDerWaalsContact O-CA 3.31Å; P828-N945 WeakPolarHBondContact O-CA 3.03Å; P828-N945 PolarHBondContact O-ND2 3.43Å; V838-N945 WeakPolarHBondContact CA-OD1 3.42Å; V838-N945 VanDerWaalsContact CB-OD1 3.3Å; V838-N945 WeakPolarHBondContact CB-OD1 3.15Å; G839-N945 PolarHBondContact N-OD1 2.96Å; M846-N945 HydrophobicContact CE-CB 3.37Å; M846-N945 HydrophobicContact SD-CB 3.77Å; G847-N945 WeakPolarHBondContact CA-O 3.49Å; G847-N945 PolarHBondContact N-O 3.47Å; T943-N945 PolarHBondContact O-N 3.49Å; T943-N945 PolarHBondContact OG1-N 2.96Å; T943-N945 VanDerWaalsContact OG1-N 3.1Å
946	A	89.2	Confident	83.6	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	127.5	179.3	0	0	0	0	0	109.4	L843 N845 G847 A942 T943	L843-A946 HydrophobicContact CB-CB 4.13Å; L843-A946 HydrophobicContact CD1-CB 3.82Å; L843-A946 WeakPolarHBondContact CD1-O 3.36Å; N845-A946 WeakPolarHBondContact O-CB 3.45Å; G847-A946 WeakPolarHBondContact O-CA 3.25Å; A942-A946 CarbonylContact C-O 3.6Å; A942-A946 WeakPolarHBondContact CA-O 3.4Å; T943-A946 PolarHBondContact N-O 2.79Å; T943-A946 PolarHBondContact OG1-N 2.89Å
947	W	89.7	Confident	83.6	Confident	20 Å²	20	18 Å²	18	8%	0.076	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	169.6	-178.8	66.5	95.3	0	0	0	111.3	P828 L829 N830 P831 G847 K848 N849 Y936	P828-W947 HydrophobicContact CB-CH2 3.7Å; P828-W947 HydrophobicContact CB-CZ3 3.69Å; P828-W947 HydrophobicContact CG-CZ3 4.43Å; L829-W947 VanDerWaalsContact C-CZ3 3.46Å; L829-W947 WeakPolarHBondContact O-CH2 3.45Å; L829-W947 WeakPolarHBondContact O-CZ3 3.38Å; N830-W947 VanDerWaalsContact CA-CE3 3.46Å; N830-W947 HydrophobicContact CB-CB 4.39Å; N830-W947 HydrophobicContact CB-CE3 4.03Å; P831-W947 HydrophobicContact CG-CD2 4.27Å; P831-W947 HydrophobicContact CG-CG 4.26Å; P831-W947 HydrophobicContact CG-CZ2 4.31Å; G847-W947 PolarHBondContact O-N 3.1Å; K848-W947 HydrophobicContact CB-CZ2 4.5Å; K848-W947 HydrophobicContact CD-CZ2 4.44Å; K848-W947 HydrophobicContact CG-CH2 4.43Å; K848-W947 HydrophobicContact CG-CZ2 3.42Å; K848-W947 VanDerWaalsContact CG-CZ2 3.42Å; N849-W947 WeakPolarHBondContact CB-O 3.49Å; N849-W947 PolarHBondContact N-O 2.75Å; N849-W947 PolarHBondContact ND2-O 3.36Å; Y936-W947 HydrophobicContact CD2-CB 4.49Å; Y936-W947 AromaticContact CD2-CD1 3.87Å; Y936-W947 HydrophobicContact CD2-CG 4.41Å; Y936-W947 HydrophobicContact CE2-CB 3.94Å; Y936-W947 HydrophobicContact CE2-CG 4.29Å
948	V	84.8	Confident	83.5	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	129.1	179.8	-175.2	0	0	0	0	109.7	L843 N849 M851 F937 H939 T950	L843-V948 HydrophobicContact CD1-CG2 4.16Å; L843-V948 HydrophobicContact CD2-CG2 3.86Å; N849-V948 WeakPolarHBondContact O-CA 3.28Å; M851-V948 HydrophobicContact CB-CG1 3.55Å; M851-V948 HydrophobicContact CE-CG1 3.86Å; M851-V948 HydrophobicContact CG-CG1 4.45Å; M851-V948 HydrophobicContact SD-CG1 4.13Å; F937-V948 HydrophobicContact CB-CG1 4.44Å; F937-V948 HydrophobicContact CD1-CB 4.48Å; F937-V948 HydrophobicContact CD1-CG1 4.38Å; F937-V948 PolarHBondContact N-O 3.4Å; H939-V948 HydrophobicContact CB-CB 3.98Å; H939-V948 HydrophobicContact CB-CG2 3.53Å; V948-T950 WeakPolarHBondContact CG1-OG1 3.33Å
949	E	86.2	Confident	83.1	Confident	49 Å²	49	33.1 Å²	33.1	23%	0.229	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	115.6	167.3	-175.8	176.7	-115.3	0	0	106.2	K848 N849 K850 M851 G935	K848-E949 IonicContact NZ-OE1 3.57Å; K848-E949 PolarHBondContact NZ-OE1 3.42Å; K848-E949 IonicContact NZ-OE2 3.62Å; N849-E949 PolarHBondContact O-N 3.35Å; K850-E949 WeakPolarHBondContact CA-O 3.15Å; M851-E949 PolarHBondContact N-O 3.15Å; G935-E949 CarbonylContact O-C 3.44Å; G935-E949 WeakPolarHBondContact O-CA 3.39Å
950	T	83.9	Confident	82.9	Confident	4 Å²	4	33.7 Å²	33.7	3%	0.025	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	135.8	-173	-57	0	0	0	0	110.9	M851 M853 S934 G935 F937 V948 I952	M851-T950 HydrophobicContact CE-CG2 3.82Å; M851-T950 WeakPolarHBondContact CE-OG1 3.37Å; M851-T950 CarbonylContact O-C 3.56Å; M851-T950 VanDerWaalsContact O-CA 3.25Å; M851-T950 WeakPolarHBondContact O-CA 3.35Å; M853-T950 HydrophobicContact CB-CG2 3.88Å; M853-T950 HydrophobicContact CE-CG2 4Å; S934-T950 VanDerWaalsContact CA-O 3.3Å; S934-T950 WeakPolarHBondContact CA-O 3.31Å; G935-T950 PolarHBondContact N-O 3.2Å; G935-T950 PolarHBondContact O-N 3.36Å; F937-T950 WeakPolarHBondContact CB-OG1 3.36Å; F937-T950 WeakPolarHBondContact CG-OG1 3.38Å; V948-T950 WeakPolarHBondContact CG1-OG1 3.33Å; T950-I952 HydrophobicContact CG2-CG1 3.95Å
951	T	84.7	Confident	83.1	Confident	27 Å²	27	35.1 Å²	35.1	17%	0.166	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	113.2	161.3	-56.5	0	0	0	0	109.2	M851 Q852 M853 K932 V933 S934 Y953	M851-T951 PolarHBondContact O-N 3.17Å; Q852-T951 WeakPolarHBondContact CA-O 3.45Å; M853-T951 PolarHBondContact N-O 3.35Å; K932-T951 HydrophobicContact CB-CG2 3.95Å; K932-T951 HydrophobicContact CD-CG2 4.13Å; K932-T951 HydrophobicContact CG-CG2 4.35Å; V933-T951 CarbonylContact O-C 3.42Å; V933-T951 VanDerWaalsContact O-CA 3.29Å; V933-T951 WeakPolarHBondContact O-CA 3.42Å; S934-T951 WeakPolarHBondContact OG-CB 3.31Å; S934-T951 WeakPolarHBondContact OG-CG2 3.07Å; S934-T951 PolarHBondContact OG-OG1 3.27Å; T951-Y953 HydrophobicContact CG2-CD2 3.96Å; T951-Y953 HydrophobicContact CG2-CE1 4.15Å; T951-Y953 HydrophobicContact CG2-CE2 3.4Å
952	I	84.1	Confident	83.4	Confident	20 Å²	20	34.2 Å²	34.2	10%	0.103	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	122.2	174.1	-53.6	175.9	0	0	0	108.2	F410 M853 M855 K932 V933 T950	F410-I952 HydrophobicContact CD2-CD1 4.3Å; F410-I952 HydrophobicContact CG-CD1 4.47Å; M853-I952 HydrophobicContact CB-CG1 4.39Å; M853-I952 CarbonylContact O-C 3.57Å; M853-I952 WeakPolarHBondContact O-CA 3.04Å; M853-I952 HydrophobicContact SD-CG1 4.29Å; M855-I952 HydrophobicContact CE-CG2 4.33Å; K932-I952 CarbonylContact C-O 3.48Å; K932-I952 WeakPolarHBondContact CA-O 3.49Å; V933-I952 PolarHBondContact N-O 3.49Å; V933-I952 PolarHBondContact O-N 3.21Å; T950-I952 HydrophobicContact CG2-CG1 3.95Å
953	Y	86.4	Confident	83.6	Confident	10 Å²	10	34.1 Å²	34.1	4%	0.039	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	128.2	175.6	-64	-94.8	0	0	0	109.7	Q852 M853 M855 M902 I927 K932 T951	Q852-Y953 HydrophobicContact CB-CE2 4.07Å; Q852-Y953 HydrophobicContact CG-CE2 4.05Å; Q852-Y953 PolarHBondContact NE2-OH 3.39Å; Q852-Y953 VanDerWaalsContact NE2-OH 3.08Å; M853-Y953 PolarHBondContact O-N 2.86Å; M855-Y953 PolarHBondContact N-O 2.84Å; M902-Y953 HydrophobicContact CE-CE2 4.39Å; I927-Y953 HydrophobicContact CG2-CD1 3.56Å; I927-Y953 HydrophobicContact CG2-CD2 4.16Å; I927-Y953 HydrophobicContact CG2-CE1 3.63Å; I927-Y953 HydrophobicContact CG2-CE2 4.25Å; I927-Y953 HydrophobicContact CG2-CG 3.81Å; I927-Y953 VanDerWaalsContact O-CD1 3.22Å; I927-Y953 WeakPolarHBondContact O-CD1 3.05Å; K932-Y953 HydrophobicContact CB-CD1 3.82Å; K932-Y953 HydrophobicContact CB-CE1 4.06Å; K932-Y953 HydrophobicContact CB-CG 4.39Å; K932-Y953 HydrophobicContact CD-CD1 4.41Å; K932-Y953 HydrophobicContact CD-CE1 3.84Å; T951-Y953 HydrophobicContact CG2-CD2 3.96Å; T951-Y953 HydrophobicContact CG2-CE1 4.15Å; T951-Y953 HydrophobicContact CG2-CE2 3.4Å
954	L	85.7	Confident	83.5	Confident	45 Å²	45	37.2 Å²	37.2	24%	0.236	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	116.4	172.1	178.3	67.6	0	0	0	109.1	M855 L857 N930 R931	M855-L954 HydrophobicContact CB-CD1 4.22Å; M855-L954 HydrophobicContact CE-CD1 4.07Å; M855-L954 HydrophobicContact CG-CD1 4.12Å; M855-L954 HydrophobicContact SD-CD1 3.8Å; L857-L954 HydrophobicContact CD1-CD1 3.65Å; L857-L954 HydrophobicContact CG-CD1 4.2Å; N930-L954 WeakPolarHBondContact CB-O 3.29Å; N930-L954 PolarHBondContact OD1-O 3.4Å; R931-L954 HydrophobicContact CB-CB 4.43Å; R931-L954 PolarHBondContact O-N 3.4Å
955	I	85.9	Confident	83.6	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	114.5	-175.4	-55.5	-179.3	0	0	0	109.2	L854 M855 I856 L857 I927 N930 E960 F963	L854-I955 HydrophobicContact CD2-CD1 3.85Å; L854-I955 HydrophobicContact CG-CD1 4.43Å; M855-I955 PolarHBondContact O-N 3.29Å; I856-I955 WeakPolarHBondContact CA-O 3.39Å; I856-I955 HydrophobicContact CG1-CB 4.34Å; I856-I955 HydrophobicContact CG1-CD1 4.3Å; I856-I955 HydrophobicContact CG2-CB 4.5Å; I856-I955 HydrophobicContact CG2-CG2 4.48Å; L857-I955 PolarHBondContact N-O 3.09Å; I927-I955 HydrophobicContact CG1-CD1 3.77Å; N930-I955 HydrophobicContact CB-CG1 4.27Å; I955-E960 HydrophobicContact CG2-CB 4.46Å; I955-F963 HydrophobicContact CD1-CD2 4.5Å; I955-F963 HydrophobicContact CD1-CE2 3.66Å; I955-F963 HydrophobicContact CD1-CZ 3.68Å; I955-F963 HydrophobicContact CG2-CD2 3.6Å; I955-F963 HydrophobicContact CG2-CE2 3.7Å; I955-F963 HydrophobicContact CG2-CG 4.43Å
956	E	82.7	Confident	83.7	Confident	73 Å²	73	39.8 Å²	39.8	34%	0.341	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	113.4	170.9	-67.9	179	172.4	0	0	109.7	L857 K958 R959	L857-E956 WeakPolarHBondContact O-CA 3.29Å; E956-K958 PolarHBondContact O-N 3.16Å; E956-K958 VanDerWaalsContact O-N 3.08Å; E956-R959 PolarHBondContact O-N 3.07Å; E956-R959 VanDerWaalsContact O-N 3.07Å; E956-R959 IonicContact OE2-CZ 2.7Å; E956-R959 IonicContact OE2-NE 3.14Å; E956-R959 PolarHBondContact OE2-NE 2.62Å; E956-R959 VanDerWaalsContact OE2-NE 3.16Å; E956-R959 IonicContact OE2-NH2 2.79Å
957	T	80.5	Confident	83.7	Confident	4 Å²	4	41.5 Å²	41.5	3%	0.025	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-19	-174.2	69.9	0	0	0	0	114	I856 L857 R858 R959 E960 F963 N964 W979	I856-T957 HydrophobicContact CG2-CG2 3.72Å; L857-T957 WeakPolarHBondContact O-CG2 3.38Å; L857-T957 PolarHBondContact O-N 3.08Å; R858-T957 WeakPolarHBondContact CA-OG1 3.45Å; R858-T957 HydrophobicContact CB-CG2 3.81Å; R858-T957 WeakPolarHBondContact CB-OG1 3.47Å; T957-R959 PolarHBondContact O-N 3.35Å; T957-E960 CarbonylContact O-C 3.26Å; T957-E960 VanDerWaalsContact O-C 3.26Å; T957-E960 PolarHBondContact O-N 3.14Å; T957-F963 HydrophobicContact CG2-CB 3.67Å; T957-N964 WeakPolarHBondContact CB-OD1 3.27Å; T957-N964 PolarHBondContact O-ND2 2.8Å; T957-N964 PolarHBondContact OG1-ND2 2.76Å; T957-N964 PolarHBondContact OG1-OD1 3.42Å; T957-W979 HydrophobicContact CG2-CH2 4.12Å
958	K	73.7	Confident	83.7	Confident	195 Å²	195	42.2 Å²	42.2	85%	0.848	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-31	173.5	-172.6	176.8	179.7	179.6	0	112.4	E956	E956-K958 PolarHBondContact O-N 3.16Å; E956-K958 VanDerWaalsContact O-N 3.08Å
959	R	64.6	Low	83.7	Confident	164 Å²	164	48.4 Å²	48.4	62%	0.619	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-17	178.1	-58.2	179.4	-167.3	-147.7	-7.1	112.5	E956 T957	E956-R959 PolarHBondContact O-N 3.07Å; E956-R959 VanDerWaalsContact O-N 3.07Å; E956-R959 IonicContact OE2-CZ 2.7Å; E956-R959 IonicContact OE2-NE 3.14Å; E956-R959 PolarHBondContact OE2-NE 2.62Å; E956-R959 VanDerWaalsContact OE2-NE 3.16Å; E956-R959 IonicContact OE2-NH2 2.79Å; T957-R959 PolarHBondContact O-N 3.35Å
960	E	72.6	Confident	83.4	Confident	26 Å²	26	48.4 Å²	48.4	12%	0.121	24%	0.239	C	C	.	.			trans	-141.4	85.3	-164.7	-64.8	-66.4	177.5	0	0	110.3	T926 I955 T957 C962	T926-E960 WeakPolarHBondContact CB-OE2 3.22Å; T926-E960 HydrophobicContact CG2-CB 3.65Å; T926-E960 HydrophobicContact CG2-CG 3.52Å; T926-E960 WeakPolarHBondContact CG2-OE2 3.07Å; T926-E960 PolarHBondContact OG1-OE2 3.07Å; I955-E960 HydrophobicContact CG2-CB 4.46Å; T957-E960 CarbonylContact O-C 3.26Å; T957-E960 VanDerWaalsContact O-C 3.26Å; T957-E960 PolarHBondContact O-N 3.14Å; E960-C962 VanDerWaalsContact C-N 3.27Å; E960-C962 PolarHBondContact O-N 3.2Å
961	P	77.6	Confident	83.2	Confident	68 Å²	68	57.5 Å²	57.5	44%	0.442	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-68.5	-22.4	-165.2	25.5	-34.4	0	0	0	113.8	F963 N964 H965	P961-F963 PolarHBondContact O-N 3.45Å; P961-F963 VanDerWaalsContact O-N 3.1Å; P961-N964 WeakPolarHBondContact O-CA 3.45Å; P961-N964 WeakPolarHBondContact O-CB 3.33Å; P961-N964 PolarHBondContact O-N 2.05Å; P961-H965 PolarHBondContact O-CD2 2.81Å; P961-H965 PolarHBondContact O-N 2.91Å
962	C	88.7	Confident	83	Confident	4 Å²	4	57.4 Å²	57.4	3%	0.027	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-56.2	-32.8	-177.6	-68.5	0	0	0	0	113.8	C918 L923 E960 N964 H965	C918-C962 VanDerWaalsContact CA-SG 3.5Å; C918-C962 HydrophobicContact CB-CB 3.75Å; C918-C962 WeakPolarHBondContact CB-SG 3.37Å; C918-C962 WeakPolarHBondContact SG-CA 3.49Å; C918-C962 WeakPolarHBondContact SG-CB 3.13Å; C918-C962 CovalentContact SG-SG 2.05Å; C918-C962 PolarHBondContact SG-SG 2.88Å; L923-C962 HydrophobicContact CD2-CB 3.74Å; E960-C962 VanDerWaalsContact C-N 3.27Å; E960-C962 PolarHBondContact O-N 3.2Å; C962-N964 VanDerWaalsContact C-N 3.34Å; C962-H965 PolarHBondContact O-N 2.95Å
963	F	89.3	Confident	83	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-76	-17.4	175.5	-68.8	-73.9	0	0	0	114	L854 I856 F906 L923 T926 I927 I955 T957 P961 H965 L966 W979	L854-F963 HydrophobicContact CD2-CE1 4.44Å; L854-F963 HydrophobicContact CD2-CZ 4.39Å; I856-F963 HydrophobicContact CD1-CD1 3.57Å; I856-F963 HydrophobicContact CD1-CE1 3.61Å; I856-F963 HydrophobicContact CD1-CG 4.41Å; I856-F963 HydrophobicContact CD1-CZ 4.46Å; I856-F963 HydrophobicContact CG1-CD1 4.35Å; I856-F963 HydrophobicContact CG1-CE1 4.42Å; I856-F963 HydrophobicContact CG2-CB 3.9Å; I856-F963 HydrophobicContact CG2-CD1 4.23Å; I856-F963 HydrophobicContact CG2-CG 4.06Å; F906-F963 HydrophobicContact CD1-CD1 4.28Å; F906-F963 AromaticContact CD1-CE1 3.93Å; F906-F963 HydrophobicContact CD1-CE1 3.93Å; F906-F963 HydrophobicContact CD2-CE1 4.16Å; F906-F963 HydrophobicContact CE1-CD1 4.42Å; F906-F963 HydrophobicContact CE1-CE1 4.11Å; F906-F963 HydrophobicContact CE2-CE1 4.34Å; F906-F963 AromaticContact CG-CE1 3.97Å; F906-F963 HydrophobicContact CG-CE1 3.97Å; F906-F963 HydrophobicContact CZ-CE1 4.32Å; L923-F963 HydrophobicContact CD2-CE1 4.45Å; L923-F963 HydrophobicContact CD2-CZ 4.27Å; T926-F963 HydrophobicContact CG2-CD2 4.24Å; T926-F963 HydrophobicContact CG2-CE2 3.66Å; I927-F963 HydrophobicContact CD1-CZ 4.01Å; I927-F963 HydrophobicContact CG1-CE2 4.28Å; I927-F963 HydrophobicContact CG1-CZ 3.8Å; I955-F963 HydrophobicContact CD1-CD2 4.5Å; I955-F963 HydrophobicContact CD1-CE2 3.66Å; I955-F963 HydrophobicContact CD1-CZ 3.68Å; I955-F963 HydrophobicContact CG2-CD2 3.6Å; I955-F963 HydrophobicContact CG2-CE2 3.7Å; I955-F963 HydrophobicContact CG2-CG 4.43Å; T957-F963 HydrophobicContact CG2-CB 3.67Å; P961-F963 PolarHBondContact O-N 3.45Å; P961-F963 VanDerWaalsContact O-N 3.1Å; F963-H965 VanDerWaalsContact C-N 3.31Å; F963-L966 HydrophobicContact CD1-CD1 4.21Å; F963-L966 WeakPolarHBondContact O-CG 3.12Å; F963-W979 WeakPolarHBondContact O-CZ2 3.34Å
964	N	86.6	Confident	82.7	Confident	65 Å²	65	61.7 Å²	61.7	35%	0.348	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-77.7	-19.3	167.9	-70.3	-34	0	0	0	112.3	T957 P961 C962	T957-N964 WeakPolarHBondContact CB-OD1 3.27Å; T957-N964 PolarHBondContact O-ND2 2.8Å; T957-N964 PolarHBondContact OG1-ND2 2.76Å; T957-N964 PolarHBondContact OG1-OD1 3.42Å; P961-N964 WeakPolarHBondContact O-CA 3.45Å; P961-N964 WeakPolarHBondContact O-CB 3.33Å; P961-N964 PolarHBondContact O-N 2.05Å; C962-N964 VanDerWaalsContact C-N 3.34Å
965	H	89.9	Confident	82.3	Confident	50 Å²	50	62.7 Å²	62.7	23%	0.231	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-96	18.5	-177.4	-57.9	-57.8	0	0	0	113.5	K911 H914 P961 C962 F963	K911-H965 WeakPolarHBondContact CG-O 3.37Å; K911-H965 PolarHBondContact N-O 3.1Å; H914-H965 HydrophobicContact CB-CB 3.98Å; H914-H965 AromaticContact CD2-CE1 3.99Å; H914-H965 AromaticContact CD2-CG 3.44Å; H914-H965 VanDerWaalsContact CD2-CG 3.44Å; H914-H965 AromaticContact CD2-ND1 3.27Å; H914-H965 PolarHBondContact CD2-ND1 3.2Å; H914-H965 VanDerWaalsContact CD2-ND1 3.27Å; H914-H965 AromaticContact CE1-CE1 3.65Å; H914-H965 AromaticContact CE1-ND1 3.7Å; H914-H965 AromaticContact CG-CG 3.69Å; H914-H965 AromaticContact CG-ND1 3.86Å; H914-H965 AromaticContact NE2-CE1 3.51Å; H914-H965 AromaticContact NE2-CG 3.79Å; H914-H965 AromaticContact NE2-ND1 3.13Å; H914-H965 PolarHBondContact NE2-ND1 2.83Å; H914-H965 VanDerWaalsContact NE2-ND1 3.13Å; P961-H965 PolarHBondContact O-CD2 2.81Å; P961-H965 PolarHBondContact O-N 2.91Å; C962-H965 PolarHBondContact O-N 2.95Å; F963-H965 VanDerWaalsContact C-N 3.31Å
966	L	90.1	Very high	82.2	Confident	11 Å²	11	66 Å²	66	6%	0.058	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-75	135.4	173.4	-54.7	-179.9	0	0	0	110.5	L867 F906 I909 V910 F963 L968	L867-L966 HydrophobicContact CD2-CD1 4Å; F906-L966 HydrophobicContact CD1-CD1 3.98Å; F906-L966 HydrophobicContact CD1-CD2 4.11Å; F906-L966 HydrophobicContact CE1-CD1 4.11Å; I909-L966 HydrophobicContact CD1-CD1 4.25Å; I909-L966 HydrophobicContact CD1-CD2 4.22Å; I909-L966 HydrophobicContact CG1-CD2 4.11Å; I909-L966 CarbonylContact O-C 3.55Å; I909-L966 WeakPolarHBondContact O-CA 3.46Å; V910-L966 HydrophobicContact CG2-CD2 4.04Å; F963-L966 HydrophobicContact CD1-CD1 4.21Å; F963-L966 WeakPolarHBondContact O-CG 3.12Å; L966-L968 HydrophobicContact CB-CD2 4.06Å; L966-L968 HydrophobicContact CD1-CD2 4.41Å
967	D	89.8	Confident	82.4	Confident	37 Å²	37	62.7 Å²	62.7	20%	0.198	31%	0.308	C	S	.	.			trans	-102.9	98.3	168	-174.5	-4.5	0	0	0	109.4	I909 K911 T969 Q970	I909-D967 PolarHBondContact O-N 2.68Å; K911-D967 HydrophobicContact CG-CB 3.77Å; D967-T969 PolarHBondContact O-N 2.67Å; D967-T969 PolarHBondContact OD1-N 3.16Å; D967-T969 PolarHBondContact OD1-OG1 3.34Å; D967-Q970 HydrophobicContact CB-CG 3.95Å; D967-Q970 VanDerWaalsContact CB-NE2 3.25Å; D967-Q970 VanDerWaalsContact OD2-CG 3.23Å; D967-Q970 WeakPolarHBondContact OD2-CG 3.16Å; D967-Q970 PolarHBondContact OD2-NE2 3.05Å
968	L	89.2	Confident	82.7	Confident	35 Å²	35	66.6 Å²	66.6	18%	0.183	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	0.5	-177.6	-56.8	-178.5	0	0	0	113	L867 I909 L966 N973 W979	L867-L968 HydrophobicContact CD1-CD1 3.57Å; L867-L968 HydrophobicContact CD1-CD2 4.04Å; L867-L968 HydrophobicContact CD1-CG 4.47Å; I909-L968 HydrophobicContact CD1-CD2 4.05Å; L966-L968 HydrophobicContact CB-CD2 4.06Å; L966-L968 HydrophobicContact CD1-CD2 4.41Å; L968-N973 PolarHBondContact O-ND2 3.25Å; L968-W979 HydrophobicContact CD1-CG 4.23Å
969	T	84.6	Confident	83.4	Confident	129 Å²	129	59.1 Å²	59.1	79%	0.791	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-12.2	177.4	70.3	0	0	0	0	113.3	D967	D967-T969 PolarHBondContact O-N 2.67Å; D967-T969 PolarHBondContact OD1-N 3.16Å; D967-T969 PolarHBondContact OD1-OG1 3.34Å
970	Q	81.1	Confident	84.4	Confident	49 Å²	49	54.2 Å²	54.2	23%	0.229	28%	0.276	C	S	.	.	S	Bend	trans	-69.8	150	179.3	-65.6	-174.8	31.7	0	0	112.3	D967 G972 N973	D967-Q970 HydrophobicContact CB-CG 3.95Å; D967-Q970 VanDerWaalsContact CB-NE2 3.25Å; D967-Q970 VanDerWaalsContact OD2-CG 3.23Å; D967-Q970 WeakPolarHBondContact OD2-CG 3.16Å; D967-Q970 PolarHBondContact OD2-NE2 3.05Å; Q970-G972 PolarHBondContact O-N 2.85Å; Q970-G972 VanDerWaalsContact O-N 3.09Å; Q970-N973 WeakPolarHBondContact O-CB 3.49Å; Q970-N973 PolarHBondContact O-N 2.92Å
971	E	79	Confident	84.8	Confident	196 Å²	196	54.1 Å²	54.1	92%	0.916	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-28.5	172.8	-66	-174	163.8	0	0	112.9	N973 Y974	E971-N973 PolarHBondContact O-N 2.77Å; E971-Y974 PolarHBondContact O-N 3.27Å
972	G	80.3	Confident	84.5	Confident	24 Å²	24	51.8 Å²	51.8	25%	0.247	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-20.4	174.7	0	0	0	0	0	114	I909 Q970 Y974	I909-G972 WeakPolarHBondContact CG2-O 3.5Å; Q970-G972 PolarHBondContact O-N 2.85Å; Q970-G972 VanDerWaalsContact O-N 3.09Å; G972-Y974 WeakPolarHBondContact O-CD1 3Å; G972-Y974 PolarHBondContact O-N 3.25Å
973	N	85.5	Confident	83.5	Confident	8 Å²	8	54.8 Å²	54.8	4%	0.043	29%	0.286	C	S	.	.			trans	-80.9	48.2	173.5	-171.2	30.6	0	0	0	111.4	Y905 I909 L968 Q970 E971 M975 N976 Y977	Y905-N973 WeakPolarHBondContact OH-CA 3.28Å; Y905-N973 PolarHBondContact OH-OD1 2.87Å; I909-N973 HydrophobicContact CG2-CB 3.95Å; I909-N973 VanDerWaalsContact CG2-N 3.33Å; L968-N973 PolarHBondContact O-ND2 3.25Å; Q970-N973 WeakPolarHBondContact O-CB 3.49Å; Q970-N973 PolarHBondContact O-N 2.92Å; E971-N973 PolarHBondContact O-N 2.77Å; N973-M975 PolarHBondContact O-N 3.25Å; N973-M975 VanDerWaalsContact O-N 3.08Å; N973-N976 WeakPolarHBondContact O-CA 3.32Å; N973-N976 PolarHBondContact O-N 2.9Å; N973-Y977 PolarHBondContact ND2-N 2.67Å; N973-Y977 PolarHBondContact ND2-O 3.01Å; N973-Y977 PolarHBondContact OD1-N 3.06Å
974	Y	79.3	Confident	82.2	Confident	113 Å²	113	60.5 Å²	60.5	44%	0.443	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-15.8	-178.1	63.7	-96	0	0	0	113.4	P900 Y905 E971 G972 N976	P900-Y974 VanDerWaalsContact CD-OH 3.25Å; P900-Y974 WeakPolarHBondContact CD-OH 3.33Å; P900-Y974 HydrophobicContact CG-CE1 4.41Å; P900-Y974 WeakPolarHBondContact CG-OH 3.29Å; Y905-Y974 HydrophobicContact CD2-CD1 4.45Å; Y905-Y974 AromaticContact CD2-CE1 3.56Å; Y905-Y974 HydrophobicContact CD2-CE1 3.56Å; Y905-Y974 AromaticContact CD2-CZ 3.59Å; Y905-Y974 WeakPolarHBondContact CD2-OH 3.45Å; Y905-Y974 AromaticContact CE2-CD1 3.96Å; Y905-Y974 HydrophobicContact CE2-CD1 3.96Å; Y905-Y974 AromaticContact CE2-CE1 3.49Å; Y905-Y974 HydrophobicContact CE2-CE1 3.49Å; Y905-Y974 VanDerWaalsContact CE2-CE1 3.49Å; Y905-Y974 HydrophobicContact CE2-CE2 4.2Å; Y905-Y974 HydrophobicContact CE2-CG 4.48Å; Y905-Y974 AromaticContact CE2-CZ 3.61Å; E971-Y974 PolarHBondContact O-N 3.27Å; G972-Y974 WeakPolarHBondContact O-CD1 3Å; G972-Y974 PolarHBondContact O-N 3.25Å; Y974-N976 VanDerWaalsContact C-N 3.28Å
975	M	78.1	Confident	80.6	Confident	66 Å²	66	57.7 Å²	57.7	33%	0.325	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-0.7	171.2	-57.2	-72.3	-93.1	0	0	112.6	S869 Y905 N973 Y977	S869-M975 VanDerWaalsContact CB-O 3.31Å; S869-M975 WeakPolarHBondContact CB-O 3.36Å; S869-M975 PolarHBondContact OG-O 3.11Å; Y905-M975 HydrophobicContact CD2-CG 4.45Å; Y905-M975 HydrophobicContact CE2-CB 4.19Å; Y905-M975 HydrophobicContact CE2-CG 3.62Å; Y905-M975 WeakPolarHBondContact OH-CB 2.99Å; N973-M975 PolarHBondContact O-N 3.25Å; N973-M975 VanDerWaalsContact O-N 3.08Å; M975-Y977 HydrophobicContact CB-CD2 3.93Å; M975-Y977 HydrophobicContact CB-CE1 4.42Å; M975-Y977 HydrophobicContact CB-CE2 3.4Å; M975-Y977 VanDerWaalsContact CB-CE2 3.4Å; M975-Y977 HydrophobicContact CG-CE2 3.98Å; M975-Y977 PolarHBondContact O-N 3.23Å
976	N	83.1	Confident	78.8	Confident	69 Å²	69	62.7 Å²	62.7	37%	0.369	32%	0.323	S	S	.	.			trans	52.2	46.1	178.1	-60.5	-60.7	0	0	0	113.9	D870 H871 N973 Y974	D870-N976 PolarHBondContact N-O 2.93Å; H871-N976 HydrophobicContact CB-CB 3.92Å; H871-N976 WeakPolarHBondContact CB-ND2 3.23Å; N973-N976 WeakPolarHBondContact O-CA 3.32Å; N973-N976 PolarHBondContact O-N 2.9Å; Y974-N976 VanDerWaalsContact C-N 3.28Å
977	Y	87.2	Confident	76.9	Confident	3 Å²	3	64.7 Å²	64.7	1%	0.012	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	142.5	173.2	-64.4	-62.2	0	0	0	111	L867 R868 P882 Y905 N973 M975	L867-Y977 HydrophobicContact CD2-CG 4.46Å; L867-Y977 HydrophobicContact CG-CG 4.42Å; R868-Y977 CarbonylContact O-C 3.56Å; R868-Y977 VanDerWaalsContact O-CA 3.31Å; R868-Y977 WeakPolarHBondContact O-CA 3.25Å; P882-Y977 WeakPolarHBondContact CA-OH 3.42Å; P882-Y977 HydrophobicContact CB-CE1 3.96Å; P882-Y977 HydrophobicContact CB-CE2 4.34Å; P882-Y977 HydrophobicContact CG-CD1 4Å; P882-Y977 HydrophobicContact CG-CE1 3.73Å; P882-Y977 HydrophobicContact CG-CE2 4.49Å; Y905-Y977 HydrophobicContact CD1-CE2 4.3Å; Y905-Y977 AromaticContact CE1-CD2 3.51Å; Y905-Y977 HydrophobicContact CE1-CD2 3.51Å; Y905-Y977 AromaticContact CE1-CE2 3.41Å; Y905-Y977 HydrophobicContact CE1-CE2 3.41Å; Y905-Y977 VanDerWaalsContact CE1-CE2 3.41Å; Y905-Y977 HydrophobicContact CE2-CE2 4.48Å; Y905-Y977 AromaticContact CZ-CD2 3.65Å; Y905-Y977 AromaticContact CZ-CE2 3.53Å; Y905-Y977 WeakPolarHBondContact OH-CD2 3.4Å; Y905-Y977 WeakPolarHBondContact OH-CE2 3.44Å; N973-Y977 PolarHBondContact ND2-N 2.67Å; N973-Y977 PolarHBondContact ND2-O 3.01Å; N973-Y977 PolarHBondContact OD1-N 3.06Å; M975-Y977 HydrophobicContact CB-CD2 3.93Å; M975-Y977 HydrophobicContact CB-CE1 4.42Å; M975-Y977 HydrophobicContact CB-CE2 3.4Å; M975-Y977 VanDerWaalsContact CB-CE2 3.4Å; M975-Y977 HydrophobicContact CG-CE2 3.98Å; M975-Y977 PolarHBondContact O-N 3.23Å
978	Q	87.1	Confident	74.3	Confident	87 Å²	87	73.6 Å²	73.6	41%	0.407	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	154.6	177.4	-63.5	-172.4	-3.2	0	0	109.3	R868 D870	R868-Q978 PolarHBondContact N-O 2.93Å; R868-Q978 PolarHBondContact O-N 3.06Å; R868-Q978 VanDerWaalsContact O-O 3.1Å; D870-Q978 PolarHBondContact OD2-OE1 3.49Å
979	W	88	Confident	73.6	Confident	38 Å²	38	75.6 Å²	75.6	14%	0.144	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	130.5	169.1	-66.1	103.9	0	0	0	109.8	I856 R858 E865 L867 T957 F963 L968	I856-W979 HydrophobicContact CB-CH2 4.36Å; I856-W979 HydrophobicContact CG2-CH2 3.62Å; I856-W979 HydrophobicContact CG2-CZ3 4.22Å; R858-W979 HydrophobicContact CB-CH2 4.09Å; R858-W979 HydrophobicContact CB-CZ3 3.99Å; R858-W979 HydrophobicContact CG-CD2 4.19Å; R858-W979 HydrophobicContact CG-CE3 3.68Å; R858-W979 HydrophobicContact CG-CH2 3.98Å; R858-W979 HydrophobicContact CG-CZ2 4.47Å; R858-W979 HydrophobicContact CG-CZ3 3.56Å; R858-W979 VanDerWaalsContact CZ-CD2 3.49Å; R858-W979 VanDerWaalsContact NH1-CD1 3.31Å; R858-W979 VanDerWaalsContact NH1-NE1 3.18Å; R858-W979 VanDerWaalsContact NH2-CD1 3.3Å; R858-W979 VanDerWaalsContact NH2-CG 3.26Å; E865-W979 HydrophobicContact CB-CE3 4.17Å; L867-W979 HydrophobicContact CB-CD2 4.5Å; L867-W979 HydrophobicContact CB-CE3 4.08Å; L867-W979 HydrophobicContact CB-CH2 4.09Å; L867-W979 HydrophobicContact CB-CZ2 4.47Å; L867-W979 HydrophobicContact CB-CZ3 3.87Å; L867-W979 HydrophobicContact CD1-CD2 3.96Å; L867-W979 HydrophobicContact CD1-CE3 4.39Å; L867-W979 HydrophobicContact CD1-CG 4.35Å; L867-W979 HydrophobicContact CD1-CZ2 4.11Å; T957-W979 HydrophobicContact CG2-CH2 4.12Å; F963-W979 WeakPolarHBondContact O-CZ2 3.34Å; L968-W979 HydrophobicContact CD1-CG 4.23Å
980	K	84.7	Confident	73	Confident	60 Å²	60	72.7 Å²	72.7	26%	0.261	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	151	174.7	-60.2	-64.3	-170.9	-170.4	0	109.6	E865 V866 D870 A982	E865-K980 CarbonylContact C-O 3.47Å; E865-K980 WeakPolarHBondContact CA-O 3.36Å; E865-K980 WeakPolarHBondContact CB-O 3.38Å; V866-K980 PolarHBondContact N-O 3.48Å; V866-K980 PolarHBondContact O-N 2.87Å; D870-K980 WeakPolarHBondContact OD2-CE 3.23Å; D870-K980 IonicContact OD2-NZ 3.79Å; D870-K980 PolarHBondContact OD2-NZ 3.44Å; K980-A982 PolarHBondContact O-N 3.45Å
981	S	80.9	Confident	72.5	Confident	24 Å²	24	74.1 Å²	74.1	17%	0.168	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	138.2	171.5	-177	0	0	0	0	110.5	S983 D984 A985	S981-S983 PolarHBondContact O-N 3.35Å; S981-S983 PolarHBondContact OG-N 2.86Å; S981-S983 PolarHBondContact OG-OG 3Å; S981-D984 WeakPolarHBondContact CB-OD2 3.45Å; S981-D984 PolarHBondContact O-N 3.38Å; S981-A985 WeakPolarHBondContact O-CB 3.37Å; S981-A985 PolarHBondContact O-N 2.92Å
982	A	71.6	Confident	72.2	Confident	20 Å²	20	66.9 Å²	66.9	17%	0.165	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-33	176.2	0	0	0	0	0	111.8	K864 K980 A985	K864-A982 HydrophobicContact CB-CB 3.95Å; K864-A982 WeakPolarHBondContact O-CB 3.23Å; K864-A982 PolarHBondContact O-N 3Å; K980-A982 PolarHBondContact O-N 3.45Å; A982-A985 PolarHBondContact O-N 2.76Å
983	S	68.3	Low	71.7	Confident	66 Å²	66	69.6 Å²	69.6	46%	0.462	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-47.1	173.6	60.6	0	0	0	0	111.7	S981 A985 K986	S981-S983 PolarHBondContact O-N 3.35Å; S981-S983 PolarHBondContact OG-N 2.86Å; S981-S983 PolarHBondContact OG-OG 3Å; S983-A985 VanDerWaalsContact C-N 3.25Å; S983-A985 PolarHBondContact O-N 3.14Å; S983-K986 PolarHBondContact O-N 3.13Å
984	D	62.6	Low	70.7	Confident	120 Å²	120	73.7 Å²	73.7	64%	0.642	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-27	-178.1	-63.8	-14.1	0	0	0	112	S981 K986	S981-D984 WeakPolarHBondContact CB-OD2 3.45Å; S981-D984 PolarHBondContact O-N 3.38Å; D984-K986 PolarHBondContact O-N 3.27Å
985	A	53.3	Low	70.1	Confident	7 Å²	7	70.9 Å²	70.9	6%	0.058	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-2.9	178.5	0	0	0	0	0	113.4	V866 S981 A982 S983 L987	V866-A985 HydrophobicContact CG1-CB 3.74Å; S981-A985 WeakPolarHBondContact O-CB 3.37Å; S981-A985 PolarHBondContact O-N 2.92Å; A982-A985 PolarHBondContact O-N 2.76Å; S983-A985 VanDerWaalsContact C-N 3.25Å; S983-A985 PolarHBondContact O-N 3.14Å; A985-L987 HydrophobicContact CB-CB 4.32Å; A985-L987 HydrophobicContact CB-CD1 3.73Å; A985-L987 HydrophobicContact CB-CG 4.38Å; A985-L987 PolarHBondContact O-N 2.85Å
986	K	50.8	Low	69.5	Low	154 Å²	154	71.2 Å²	71.2	67%	0.67	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	32.1	-175.4	-62.3	-175.9	177.5	-175.6	0	112.5	F413 S983 D984	F413-K986 HydrophobicContact CE1-CB 3.93Å; F413-K986 WeakPolarHBondContact CE1-O 3.46Å; F413-K986 WeakPolarHBondContact CZ-O 3.49Å; S983-K986 PolarHBondContact O-N 3.13Å; D984-K986 PolarHBondContact O-N 3.27Å
987	L	49.9	Very low	68.4	Low	53 Å²	53	71.4 Å²	71.4	28%	0.277	36%	0.36	S	S	.	.			trans	-92	-3.9	-175.3	-102.4	154.1	0	0	0	113.3	F410 V866 L881 A985	F410-L987 HydrophobicContact CE1-CD2 3.82Å; F410-L987 HydrophobicContact CZ-CD2 4.2Å; V866-L987 HydrophobicContact CB-CD1 4.34Å; V866-L987 HydrophobicContact CG1-CD1 3.82Å; V866-L987 HydrophobicContact CG2-CD1 4.05Å; L881-L987 HydrophobicContact CD2-CD1 4.48Å; A985-L987 HydrophobicContact CB-CB 4.32Å; A985-L987 HydrophobicContact CB-CD1 3.73Å; A985-L987 HydrophobicContact CB-CG 4.38Å; A985-L987 PolarHBondContact O-N 2.85Å
988	E	36.2	Very low	66.7	Low	225 Å²	225	77.6 Å²	77.6	100%	1.051	39%	0.391	S	S	*	.			trans	-61.2	0	165.6	-67.4	-174	167.1	0	0	111.4

Retrieved 988 of 988 residues in 1570.8 ms (Link to these results)

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