A0A061IMA3_CRIGR Loading...

Cadherin-like and PC-esterase domain containing 1

AlphaFold DB , UniProt , Accession A0A061IMA3, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Cped1, Length 1,025 aa.

						>A0A061IMA3_CRIGR|A0A061IMA3|Cped1
MVCRPVFFCRRRFCPRPFLVGLVVAICLFYQTLTLRGTKKLAAEVPGTVRHTPSQTQASRCDQGYPWDKRCFLLSANALEIRKIEELIETHFGSHSRRAILFRSPSHSRPELQTLQHLLGQHGYSVVTVEERLGTGLGLELLDQGDLNSWDLLICLPSREADGKPCIAREHICRLRLHQKINVLPEIQPQLCRKEGLCQMIRRFPELRLPVSPSVCLDQGMQSQLSASSHLSKGAKPHVWKPWDGQSKQLNQTTVPVPREAILRAEELSVILKAYVLVTSLRPLRAFIHSTGTVWSPPKKKRFTVKLQMFFETFLRTSSPLQALDSMKEAISKLLLVAEVFSETSTLGPKTFHRCRQCFQLLTFDIGYGDSGHPVVLQVHEHLKVRDDENFNLEDQKTEKILLKDTFSFLFSNTSSLSLLSEQLQRLYREGVLEDGNYGKELNQCLSLEEIHSIRTFVKELGSLGEFQLLFPSTVPGIQSVMHEFYDMANPSSLLSRYWSLLNISEQFWPMNKKEQLHPLEWNSSTRNKTIQKTPESLEAIKSKEDAVPRVFHENKDIHCSNGKGTVCNIKIFTHPRLELNPEFNPKVKDYYCEVPFDVLTVRIGAETSKCQCKVHLQERAGPSFANYPLGLGMNRISMLVVDKSPAEGDTETTYKLSIYREDRPSLPFFEDFTACGFVQDCGLLIKPEETCGLQPISSDYIEAISQPKIESCPSGDTKGQWIVPCLSCSDNRTCDWREITWQPHNCQHNVLTKPELQQCLRGRKILFIGDSTNRGMMYYLIERLNETLQEWQKVHGTKLYPSVNGGKTLISYSYYPQFWISPSLRPTFEKALEHLLQRSHPLENTDQTVLVVGGVQWLNSQHLQIIHKVLKRENLLNILVIIKTLGIGFHLPVDGVHFLTQTEVQNLHKENLSILEAAKKYGYEVVDTFTITMGRHKEFLQGNCGCHFHEVVKSKLSREHHVIKMKRSKNHIVGKYFSSQNKLQRQNSVPNVHSPYHVRGPINQVCSEILLSRMCASQRSARAP
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33	Very low	33.1	Very low	239 Å²	239	176.7 Å²	176.7	100%	1.177	86%	0.861	S	S	*	*				0	82.8	0	-75.4	171.9	166	0	0	107
2	V	33	Very low	34	Very low	139 Å²	139	182.2 Å²	182.2	84%	0.842	87%	0.865	S	S	*	*				47.9	103.3	83.5	-164.6	0	0	0	0	112.6
3	C	26.1	Very low	34.1	Very low	123 Å²	123	183.3 Å²	183.3	83%	0.831	87%	0.865	S	S	*	*				171.1	113.5	122.4	-88.7	0	0	0	0	111.7
4	R	31.9	Very low	35	Very low	237 Å²	237	178.6 Å²	178.6	89%	0.894	86%	0.861	S	S	*	*			trans	-86.9	-178.3	142.9	-86	-173.4	174.1	-176.5	-0.2	107.6
5	P	53.5	Low	35.5	Very low	111 Å²	111	174.1 Å²	174.1	72%	0.721	85%	0.851	S	S	*	*			cis	-139	-175.6	-2.5	22.1	4.8	0	0	0	114.5
6	V	30.1	Very low	36.4	Very low	135 Å²	135	176.4 Å²	176.4	82%	0.818	85%	0.848	S	S	*	*				152.7	140.1	122.7	171.9	0	0	0	0	113.7
7	F	28.5	Very low	37.3	Very low	176 Å²	176	172.9 Å²	172.9	77%	0.772	84%	0.842	S	S	*	*			trans	-69.5	154.5	-177	-82	-115.1	0	0	0	116.7
8	F	28	Very low	38.2	Very low	183 Å²	183	172.7 Å²	172.7	80%	0.803	84%	0.837	S	S	*	*				161	148.6	99.6	-106.2	-74.8	0	0	0	114.2
9	C	29.1	Very low	39.1	Very low	116 Å²	116	169.8 Å²	169.8	78%	0.784	83%	0.825	S	S	*	*			trans	86.3	109.4	147.8	-76.3	0	0	0	0	122.8
10	R	35.9	Very low	40.1	Very low	246 Å²	246	166.4 Å²	166.4	93%	0.928	82%	0.815	S	S	*	*			trans	-25.5	134.8	149.2	-73.7	172.6	168.2	-176.5	-3.1	115.5
11	R	35.4	Very low	41.1	Very low	239 Å²	239	160.5 Å²	160.5	90%	0.902	80%	0.796	S	S	*	*				-157.1	128.5	127.3	-108.2	172.5	-171.3	-171.2	2.2	110.9
12	R	43.5	Very low	42.3	Very low	242 Å²	242	153.6 Å²	153.6	91%	0.913	76%	0.764	S	S	*	*			trans	-54.9	129.5	171.2	-76	171.3	168	164.2	-5.5	110.2
13	F	35.8	Very low	43.8	Very low	197 Å²	197	150.9 Å²	150.9	86%	0.864	75%	0.747	S	S	*	*			trans	-142.1	128.3	153.8	-100.6	-84.6	0	0	0	109.8
14	C	47	Very low	45.7	Very low	118 Å²	118	148.7 Å²	148.7	80%	0.797	73%	0.73	S	S	*	*			trans	-58	140.9	-173.5	-57.1	0	0	0	0	114.2	R16	C14-R16 PolarHBondContact O-N 3.27Å
15	P	42.3	Very low	47.1	Very low	110 Å²	110	140.2 Å²	140.2	71%	0.714	71%	0.71	S	S	*	*			trans	-89.3	105.3	159.9	32.4	-24.3	0	0	0	110.1
16	R	49.5	Very low	47.6	Very low	212 Å²	212	139.6 Å²	139.6	80%	0.8	70%	0.7	S	S	*	*			trans	20.3	140.6	142.6	-63.4	179.3	175	169.4	-2.2	120.2	C14 F18	C14-R16 PolarHBondContact O-N 3.27Å; R16-F18 PolarHBondContact O-N 3.45Å
17	P	52.1	Low	48.8	Very low	116 Å²	116	136.7 Å²	136.7	75%	0.753	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.9	5.8	-175.7	29.5	-36.1	0	0	0	116.1	G21	P17-G21 PolarHBondContact O-N 3.43Å
18	F	53.2	Low	50	Low	170 Å²	170	133.1 Å²	133.1	75%	0.746	67%	0.673	S	S	*	*	H	α-helix	trans	-77.7	-31.7	-177.9	-150.2	-95.7	0	0	0	112.7	R16 L22	R16-F18 PolarHBondContact O-N 3.45Å; F18-L22 PolarHBondContact O-N 2.92Å; F18-L22 VanDerWaalsContact O-N 3.09Å
19	L	54.7	Low	51	Low	117 Å²	117	131.1 Å²	131.1	61%	0.613	67%	0.665	S	S	*	*	H	α-helix	trans	-75.1	-32.6	179.9	-111.2	140.7	0	0	0	112.6	V23	L19-V23 VanDerWaalsContact O-CG2 3.27Å; L19-V23 WeakPolarHBondContact O-CG2 3.4Å; L19-V23 PolarHBondContact O-N 3.5Å
20	V	59.6	Low	52	Low	102 Å²	102	134.3 Å²	134.3	62%	0.618	66%	0.661	S	S	*	*	H	α-helix	trans	-72.2	-39.1	173.8	-177.8	0	0	0	0	110.4	L22 V23 V24	V20-L22 PolarHBondContact O-N 3.18Å; V20-V23 PolarHBondContact O-N 3.45Å; V20-V24 WeakPolarHBondContact O-CG2 3.27Å; V20-V24 PolarHBondContact O-N 2.68Å
21	G	61	Low	52.5	Low	42 Å²	42	129 Å²	129	43%	0.433	65%	0.647	S	S	.	*	H	α-helix	trans	-62.3	-38.6	174	0	0	0	0	0	113.5	P17 V24 A25	P17-G21 PolarHBondContact O-N 3.43Å; G21-V24 PolarHBondContact O-N 3.42Å; G21-A25 WeakPolarHBondContact O-CB 3.37Å; G21-A25 PolarHBondContact O-N 2.93Å
22	L	58.9	Low	53	Low	94 Å²	94	122.1 Å²	122.1	49%	0.492	63%	0.632	S	S	.	*	H	α-helix	trans	-67.1	-40.5	176.8	-158.3	99.6	0	0	0	112.1	F18 V20 A25 I26	F18-L22 PolarHBondContact O-N 2.92Å; F18-L22 VanDerWaalsContact O-N 3.09Å; V20-L22 PolarHBondContact O-N 3.18Å; L22-A25 PolarHBondContact O-N 2.92Å; L22-I26 HydrophobicContact CD2-CD1 4.03Å; L22-I26 HydrophobicContact CG-CD1 4.2Å; L22-I26 WeakPolarHBondContact O-CD1 3.24Å; L22-I26 VanDerWaalsContact O-CG1 3.26Å; L22-I26 WeakPolarHBondContact O-CG1 3.28Å; L22-I26 PolarHBondContact O-N 3.35Å
23	V	63.8	Low	52.9	Low	82 Å²	82	116.6 Å²	116.6	50%	0.497	62%	0.62	S	S	.	*	H	α-helix	trans	-67.4	-39.6	177.6	172.6	0	0	0	0	111	L19 V20 I26 C27	L19-V23 VanDerWaalsContact O-CG2 3.27Å; L19-V23 WeakPolarHBondContact O-CG2 3.4Å; L19-V23 PolarHBondContact O-N 3.5Å; V20-V23 PolarHBondContact O-N 3.45Å; V23-I26 PolarHBondContact O-N 3.24Å; V23-C27 WeakPolarHBondContact O-CB 3.43Å; V23-C27 PolarHBondContact O-N 2.67Å; V23-C27 PolarHBondContact O-SG 2.92Å
24	V	65.8	Low	53.3	Low	78 Å²	78	112.7 Å²	112.7	47%	0.473	61%	0.612	S	S	.	*	H	α-helix	trans	-67.5	-38.8	175.7	174	0	0	0	0	111.8	V20 G21 C27 L28	V20-V24 WeakPolarHBondContact O-CG2 3.27Å; V20-V24 PolarHBondContact O-N 2.68Å; G21-V24 PolarHBondContact O-N 3.42Å; V24-C27 PolarHBondContact O-N 3.35Å; V24-L28 HydrophobicContact CG1-CD1 3.91Å; V24-L28 HydrophobicContact CG1-CG 4.44Å; V24-L28 WeakPolarHBondContact O-CB 3.37Å; V24-L28 WeakPolarHBondContact O-CG 3.37Å; V24-L28 PolarHBondContact O-N 2.75Å
25	A	62	Low	52.9	Low	58 Å²	58	114.1 Å²	114.1	48%	0.479	61%	0.611	S	S	.	*	H	α-helix	trans	-65.4	-39.6	176.1	0	0	0	0	0	112.5	G21 L22 L28 F29	G21-A25 WeakPolarHBondContact O-CB 3.37Å; G21-A25 PolarHBondContact O-N 2.93Å; L22-A25 PolarHBondContact O-N 2.92Å; A25-L28 PolarHBondContact O-N 3.05Å; A25-F29 WeakPolarHBondContact O-CB 3.31Å; A25-F29 PolarHBondContact O-N 3.34Å
26	I	63.5	Low	52.6	Low	98 Å²	98	120.2 Å²	120.2	50%	0.503	62%	0.62	S	S	.	*	H	α-helix	trans	-69.3	-38.9	176.7	-67.4	166.2	0	0	0	110.9	L22 V23 F29 Y30	L22-I26 HydrophobicContact CD2-CD1 4.03Å; L22-I26 HydrophobicContact CG-CD1 4.2Å; L22-I26 WeakPolarHBondContact O-CD1 3.24Å; L22-I26 VanDerWaalsContact O-CG1 3.26Å; L22-I26 WeakPolarHBondContact O-CG1 3.28Å; L22-I26 PolarHBondContact O-N 3.35Å; V23-I26 PolarHBondContact O-N 3.24Å; I26-F29 PolarHBondContact O-N 3.27Å; I26-Y30 PolarHBondContact O-N 3.41Å; I26-Y30 VanDerWaalsContact O-N 3.13Å
27	C	55.3	Low	51.8	Low	74 Å²	74	113.8 Å²	113.8	50%	0.5	62%	0.62	S	S	.	*	H	α-helix	trans	-66.5	-37.9	175.1	-72.6	0	0	0	0	112.9	V23 V24 Q31	V23-C27 WeakPolarHBondContact O-CB 3.43Å; V23-C27 PolarHBondContact O-N 2.67Å; V23-C27 PolarHBondContact O-SG 2.92Å; V24-C27 PolarHBondContact O-N 3.35Å; C27-Q31 PolarHBondContact O-N 3.19Å
28	L	53.4	Low	50.9	Low	101 Å²	101	114.2 Å²	114.2	53%	0.529	62%	0.621	S	S	.	*	H	α-helix	trans	-71.3	-36.2	176.2	-73.9	169.7	0	0	0	112.3	V24 A25 Y30 Q31 T32	V24-L28 HydrophobicContact CG1-CD1 3.91Å; V24-L28 HydrophobicContact CG1-CG 4.44Å; V24-L28 WeakPolarHBondContact O-CB 3.37Å; V24-L28 WeakPolarHBondContact O-CG 3.37Å; V24-L28 PolarHBondContact O-N 2.75Å; A25-L28 PolarHBondContact O-N 3.05Å; L28-Y30 VanDerWaalsContact C-N 3.34Å; L28-Y30 PolarHBondContact O-N 3.19Å; L28-Q31 PolarHBondContact O-N 3.05Å; L28-T32 PolarHBondContact O-N 2.78Å; L28-T32 PolarHBondContact O-OG1 3.49Å
29	F	49	Very low	49.9	Very low	141 Å²	141	115.9 Å²	115.9	62%	0.618	63%	0.628	S	S	*	*	H	α-helix	trans	-65.7	-37.5	176	-151.3	-96.6	0	0	0	111.9	A25 I26 T32 L33	A25-F29 WeakPolarHBondContact O-CB 3.31Å; A25-F29 PolarHBondContact O-N 3.34Å; I26-F29 PolarHBondContact O-N 3.27Å; F29-T32 PolarHBondContact O-N 3.12Å; F29-T32 PolarHBondContact O-OG1 3.22Å; F29-L33 HydrophobicContact CD1-CD1 4.07Å; F29-L33 HydrophobicContact CE1-CD1 4Å
30	Y	50.3	Low	48.7	Very low	183 Å²	183	119.5 Å²	119.5	72%	0.718	64%	0.638	S	S	*	*	H	α-helix	trans	-70.5	-29.5	175.8	-115	-90.5	0	0	0	113.7	I26 L28	I26-Y30 PolarHBondContact O-N 3.41Å; I26-Y30 VanDerWaalsContact O-N 3.13Å; L28-Y30 VanDerWaalsContact C-N 3.34Å; L28-Y30 PolarHBondContact O-N 3.19Å
31	Q	46.5	Very low	47.2	Very low	135 Å²	135	122.4 Å²	122.4	63%	0.631	65%	0.649	S	S	*	*	H	α-helix	trans	-77.1	-24.2	175.2	-79.6	-171.6	-22.7	0	0	113.6	C27 L28 T34	C27-Q31 PolarHBondContact O-N 3.19Å; L28-Q31 PolarHBondContact O-N 3.05Å; Q31-T34 PolarHBondContact O-OG1 3.37Å
32	T	46.3	Very low	45.6	Very low	95 Å²	95	124.9 Å²	124.9	58%	0.583	67%	0.666	S	S	*	*	H	α-helix	trans	-82.7	-18.8	177.7	48.5	0	0	0	0	114.6	L28 F29	L28-T32 PolarHBondContact O-N 2.78Å; L28-T32 PolarHBondContact O-OG1 3.49Å; F29-T32 PolarHBondContact O-N 3.12Å; F29-T32 PolarHBondContact O-OG1 3.22Å
33	L	41.3	Very low	44.1	Very low	126 Å²	126	125.1 Å²	125.1	66%	0.66	68%	0.682	S	S	*	*	S	Bend	trans	-81.5	-18.1	178.6	-102.3	143.2	0	0	0	113.7	F29	F29-L33 HydrophobicContact CD1-CD1 4.07Å; F29-L33 HydrophobicContact CE1-CD1 4Å
34	T	43.9	Very low	42.4	Very low	115 Å²	115	130.4 Å²	130.4	71%	0.706	70%	0.701	S	S	*	*	S	Bend	trans	-92.9	-4.1	-179.3	43.6	0	0	0	0	114.6	Q31	Q31-T34 PolarHBondContact O-OG1 3.37Å
35	L	38.3	Very low	40.6	Very low	147 Å²	147	133.3 Å²	133.3	77%	0.77	72%	0.718	S	S	*	*	S	Bend	trans	-112.5	3.9	-177.1	-97.3	151.5	0	0	0	115.3
36	R	36.3	Very low	39.1	Very low	238 Å²	238	136.7 Å²	136.7	90%	0.898	74%	0.735	S	S	*	*	S	Bend	trans	-122.7	44.1	-176.8	-147.7	-179.9	-167.6	-178.5	3.7	113.9
37	G	32.3	Very low	37.7	Very low	78 Å²	78	135.3 Å²	135.3	80%	0.804	75%	0.745	S	S	*	*	S	Bend	trans	-126.1	11.5	176.4	0	0	0	0	0	115.1
38	T	32.9	Very low	36.4	Very low	125 Å²	125	138.7 Å²	138.7	77%	0.767	76%	0.764	S	S	*	*	S	Bend	trans	-122.8	129.9	174.5	45.6	0	0	0	0	111.5
39	K	31.8	Very low	35.3	Very low	205 Å²	205	140.1 Å²	140.1	89%	0.891	78%	0.777	S	S	*	*			trans	83.2	106.8	168.1	-59.9	-179	176	179.3	0	118.7
40	K	29.5	Very low	34	Very low	192 Å²	192	144.3 Å²	144.3	84%	0.835	79%	0.788	S	S	*	*				-171.4	109.6	120.6	-99.9	-175.9	179	-177.4	0	109.7
41	L	29.9	Very low	32.9	Very low	163 Å²	163	144 Å²	144	85%	0.853	79%	0.793	S	S	*	*				77.9	99.1	108	-77.7	169.3	0	0	0	113.8
42	A	26	Very low	32	Very low	94 Å²	94	143.4 Å²	143.4	78%	0.777	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-79.3	132.2	166.9	0	0	0	0	0	110
43	A	27.8	Very low	31.1	Very low	100 Å²	100	144.8 Å²	144.8	83%	0.826	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-100.4	136.6	159.4	0	0	0	0	0	108.1
44	E	27.5	Very low	30.7	Very low	193 Å²	193	143.5 Å²	143.5	90%	0.902	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-73.4	134.3	-175.3	-72.4	175.7	140.4	0	0	112.9
45	V	29.4	Very low	30	Very low	138 Å²	138	146.4 Å²	146.4	84%	0.836	82%	0.817	S	S	*	*			trans	-135.9	133.2	148.9	178.4	0	0	0	0	106.7
46	P	30.7	Very low	30	Very low	129 Å²	129	144.6 Å²	144.6	84%	0.838	81%	0.812	S	S	*	*			trans	-93.9	144.4	-156.3	34.7	-30.8	0	0	0	113.2
47	G	32.9	Very low	30.3	Very low	69 Å²	69	140.3 Å²	140.3	71%	0.711	80%	0.802	S	S	*	*			trans	132.8	60.7	164.5	0	0	0	0	0	114.7
48	T	28.7	Very low	30.5	Very low	145 Å²	145	140 Å²	140	89%	0.89	79%	0.792	S	S	*	*	S	Bend	trans	-167.9	127.2	151	9.8	0	0	0	0	109.1	R50	T48-R50 PolarHBondContact O-N 2.64Å
49	V	29.8	Very low	30.9	Very low	132 Å²	132	136.6 Å²	136.6	80%	0.8	77%	0.773	S	S	*	*			trans	-54.7	117	-174.9	176.3	0	0	0	0	110.4	H51	V49-H51 PolarHBondContact O-N 3.48Å
50	R	22.8	Very low	31.6	Very low	228 Å²	228	136.7 Å²	136.7	86%	0.86	77%	0.768	S	S	*	*			trans	-68.4	107.1	171.1	-96.6	-178.2	176.9	163.3	1.9	109.4	T48 T52	T48-R50 PolarHBondContact O-N 2.64Å; R50-T52 PolarHBondContact O-N 2.78Å
51	H	27.3	Very low	32.6	Very low	176 Å²	176	128.8 Å²	128.8	82%	0.815	74%	0.736	S	S	*	*			trans	-75.2	114.6	150.6	-81.6	-71.4	0	0	0	108.2	V49	V49-H51 PolarHBondContact O-N 3.48Å
52	T	25.6	Very low	33.2	Very low	123 Å²	123	127 Å²	127	76%	0.755	73%	0.728	S	S	*	*			trans	-54.3	126.3	169.3	-29.7	0	0	0	0	108.9	R50 S54	R50-T52 PolarHBondContact O-N 2.78Å; T52-S54 PolarHBondContact O-N 2.75Å
53	P	28.9	Very low	34.2	Very low	125 Å²	125	129.9 Å²	129.9	81%	0.812	73%	0.725	S	S	*	*			trans	-68.1	104.7	171.1	26.7	-29.5	0	0	0	107.4	Q55	P53-Q55 PolarHBondContact O-N 2.95Å
54	S	31.5	Very low	35.3	Very low	99 Å²	99	127 Å²	127	69%	0.692	71%	0.705	S	S	*	*			trans	-57.7	136.6	176.9	56.7	0	0	0	0	110.1	T52 T56	T52-S54 PolarHBondContact O-N 2.75Å; S54-T56 PolarHBondContact O-N 2.98Å
55	Q	30.9	Very low	36.6	Very low	176 Å²	176	121.8 Å²	121.8	82%	0.822	68%	0.678	S	S	*	*	S	Bend	trans	-26.3	113.7	171.8	-79.2	169.6	-24.2	0	0	113.8	P53	P53-Q55 PolarHBondContact O-N 2.95Å
56	T	37.9	Very low	37.9	Very low	108 Å²	108	119.9 Å²	119.9	66%	0.663	67%	0.669	S	S	*	*			trans	22.8	97	154.2	28.6	0	0	0	0	117.3	S54 A58 S59	S54-T56 PolarHBondContact O-N 2.98Å; T56-A58 PolarHBondContact O-N 2.93Å; T56-S59 PolarHBondContact O-N 3.3Å; T56-S59 PolarHBondContact O-OG 3.37Å; T56-S59 VanDerWaalsContact O-OG 3.09Å
57	Q	42.7	Very low	38.9	Very low	149 Å²	149	117.1 Å²	117.1	70%	0.696	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.3	-0.2	172.1	-71.8	165.7	-27.6	0	0	116.5	R174	Q57-R174 PolarHBondContact O-NH2 3.42Å; Q57-R174 VanDerWaalsContact O-NH2 3.08Å
58	A	35.1	Very low	39.9	Very low	72 Å²	72	115.8 Å²	115.8	60%	0.595	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	-24	171.3	0	0	0	0	0	112.8	T56 R60	T56-A58 PolarHBondContact O-N 2.93Å; A58-R60 VanDerWaalsContact C-N 3.27Å; A58-R60 PolarHBondContact O-N 3.4Å
59	S	43.1	Very low	41.3	Very low	53 Å²	53	117.5 Å²	117.5	37%	0.371	61%	0.613	S	S	.	*	H	α-helix	trans	-73.5	-14	-176.3	66.8	0	0	0	0	114.7	T56 C61 D62 Q63	T56-S59 PolarHBondContact O-N 3.3Å; T56-S59 PolarHBondContact O-OG 3.37Å; T56-S59 VanDerWaalsContact O-OG 3.09Å; S59-C61 VanDerWaalsContact C-N 3.33Å; S59-D62 PolarHBondContact O-N 2.88Å; S59-Q63 PolarHBondContact O-N 3.21Å
60	R	46	Very low	42.9	Very low	207 Å²	207	118 Å²	118	78%	0.781	60%	0.601	S	S	*	*	H	α-helix	trans	-75.4	-22.4	-176.4	-145.1	-179.7	-164	-179.9	5.1	113.2	A58	A58-R60 VanDerWaalsContact C-N 3.27Å; A58-R60 PolarHBondContact O-N 3.4Å
61	C	50.3	Low	45	Very low	25 Å²	25	110.5 Å²	110.5	17%	0.169	58%	0.582	C	S	.	*	H	α-helix	trans	-81.6	-29.7	174.7	-59.4	0	0	0	0	111.5	S59 C173 H353	S59-C61 VanDerWaalsContact C-N 3.33Å; C61-C173 HydrophobicContact CB-CB 4.36Å; C61-H353 WeakPolarHBondContact CB-NE2 3.48Å; C61-H353 PolarHBondContact O-CE1 3.16Å; C61-H353 PolarHBondContact O-ND1 3.45Å
62	D	42.9	Very low	47.1	Very low	127 Å²	127	103.6 Å²	103.6	68%	0.679	55%	0.55	S	S	*	*	H	α-helix	trans	-75.8	-24.8	177.2	-71.8	-31.6	0	0	0	113.3	S59	S59-D62 PolarHBondContact O-N 2.88Å
63	Q	46.4	Very low	48.9	Very low	153 Å²	153	102.3 Å²	102.3	72%	0.715	54%	0.538	S	S	*	.	S	Bend	trans	-96.1	89.9	170.8	-70.5	-175.3	-7.1	0	0	109.7	S59	S59-Q63 PolarHBondContact O-N 3.21Å
64	G	50.2	Low	50.5	Low	40 Å²	40	97.4 Å²	97.4	41%	0.412	51%	0.505	S	S	.	.			trans	-49.4	156.6	169.8	0	0	0	0	0	112.6
65	Y	56.3	Low	51.8	Low	84 Å²	84	94.5 Å²	94.5	33%	0.329	48%	0.484	S	S	.	.			trans	-58.3	137.5	-174.8	-90.2	-93.3	0	0	0	110	W67 D68	Y65-W67 PolarHBondContact O-N 2.02Å; Y65-D68 WeakPolarHBondContact CB-OD2 3.26Å; Y65-D68 PolarHBondContact N-OD2 2.86Å; Y65-D68 VanDerWaalsContact N-OD2 3.14Å; Y65-D68 WeakPolarHBondContact O-CB 3.2Å; Y65-D68 PolarHBondContact O-N 2.98Å
66	P	55.2	Low	52.8	Low	98 Å²	98	89 Å²	89	64%	0.636	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-54.2	-29.4	-179	-25.4	32	0	0	0	113.5	K69	P66-K69 PolarHBondContact O-N 3.03Å
67	W	53.2	Low	54	Low	70 Å²	70	87.5 Å²	87.5	27%	0.265	46%	0.457	S	S	.	.	G	3₁₀ helix	trans	-75.7	-19.9	-179.7	-61.6	97.7	0	0	0	114.1	Y65 K69 R70 L87 H91	Y65-W67 PolarHBondContact O-N 2.02Å; W67-K69 PolarHBondContact O-N 3.07Å; W67-R70 PolarHBondContact O-N 3.07Å; W67-L87 HydrophobicContact CH2-CD2 4.49Å; W67-L87 HydrophobicContact CZ3-CD2 4.26Å; W67-H91 AromaticContact CE2-NE2 3.75Å; W67-H91 AromaticContact NE1-NE2 3.79Å
68	D	54	Low	55.1	Low	42 Å²	42	83.3 Å²	83.3	23%	0.225	45%	0.447	C	S	.	.	G	3₁₀ helix	trans	-71.4	-20.3	174.1	-56.3	-26.1	0	0	0	111.7	Y65 R356	Y65-D68 WeakPolarHBondContact CB-OD2 3.26Å; Y65-D68 PolarHBondContact N-OD2 2.86Å; Y65-D68 VanDerWaalsContact N-OD2 3.14Å; Y65-D68 WeakPolarHBondContact O-CB 3.2Å; Y65-D68 PolarHBondContact O-N 2.98Å; D68-R356 IonicContact OD1-CZ 3.49Å; D68-R356 IonicContact OD1-NH1 3.45Å; D68-R356 PolarHBondContact OD1-NH1 3.36Å; D68-R356 IonicContact OD1-NH2 2.78Å; D68-R356 IonicContact OD2-CZ 2.7Å; D68-R356 IonicContact OD2-NH1 3.28Å; D68-R356 PolarHBondContact OD2-NH1 2.72Å; D68-R356 IonicContact OD2-NH2 3.67Å; D68-R356 PolarHBondContact OD2-NH2 3.35Å
69	K	57.1	Low	56.6	Low	181 Å²	181	84.8 Å²	84.8	79%	0.787	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-91.7	-7.9	177.4	-60.9	-175.7	-179.2	-179.1	0	113.1	P66 W67	P66-K69 PolarHBondContact O-N 3.03Å; W67-K69 PolarHBondContact O-N 3.07Å
70	R	63.7	Low	57.8	Low	143 Å²	143	86.3 Å²	86.3	54%	0.54	45%	0.446	S	S	.	.			trans	-81.2	123.6	176.5	-87.7	-172.7	-173.8	179.5	3.7	109.9	W67 F72	W67-R70 PolarHBondContact O-N 3.07Å; R70-F72 HydrophobicContact CB-CE2 4.13Å; R70-F72 HydrophobicContact CB-CZ 4.5Å
71	C	67.3	Low	58.9	Low	69 Å²	69	77 Å²	77	47%	0.466	41%	0.412	S	S	.	.			trans	-81.7	118.6	175.7	-174.7	0	0	0	0	110.7	C445	C71-C445 WeakPolarHBondContact CA-SG 3.31Å; C71-C445 HydrophobicContact CB-CB 4.32Å; C71-C445 WeakPolarHBondContact CB-SG 3.36Å; C71-C445 WeakPolarHBondContact SG-CB 3.31Å; C71-C445 CovalentContact SG-SG 1.99Å; C71-C445 PolarHBondContact SG-SG 3.26Å
72	F	70.4	Confident	59.9	Low	32 Å²	32	84.2 Å²	84.2	14%	0.14	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	114.7	167.2	-61.9	-90.1	0	0	0	108.3	R70 I84 L87 L446 L448 I451	R70-F72 HydrophobicContact CB-CE2 4.13Å; R70-F72 HydrophobicContact CB-CZ 4.5Å; F72-I84 HydrophobicContact CB-CD1 4.33Å; F72-I84 HydrophobicContact CD1-CD1 4.1Å; F72-I84 HydrophobicContact CD1-CG1 3.81Å; F72-I84 HydrophobicContact CE1-CG1 4.27Å; F72-L87 HydrophobicContact CE1-CD1 3.89Å; F72-L87 HydrophobicContact CZ-CD1 4.14Å; F72-L446 WeakPolarHBondContact CB-O 3.21Å; F72-L446 PolarHBondContact N-O 3.22Å; F72-L446 PolarHBondContact O-N 3.19Å; F72-L448 HydrophobicContact CD2-CB 4.46Å; F72-L448 HydrophobicContact CE2-CB 3.79Å; F72-L448 HydrophobicContact CE2-CD1 4.26Å; F72-L448 HydrophobicContact CZ-CB 4.47Å; F72-L448 HydrophobicContact CZ-CD1 4.24Å; F72-I451 HydrophobicContact CB-CD1 3.88Å; F72-I451 HydrophobicContact CD2-CD1 4.46Å; F72-I451 HydrophobicContact CG-CD1 4.24Å
73	L	64.6	Low	61.5	Low	96 Å²	96	83.8 Å²	83.8	50%	0.503	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	130	172.7	-67.1	168.5	0	0	0	108.5	S75 N443	L73-S75 PolarHBondContact O-N 2.91Å; L73-N443 HydrophobicContact CD2-CB 3.74Å
74	L	62.6	Low	62.8	Low	22 Å²	22	77.5 Å²	77.5	12%	0.115	40%	0.398	C	S	.	.			trans	-61.2	120.5	167.9	-72.3	167.8	0	0	0	107.8	L424 L427 Y428 Q444 L446	L74-L424 HydrophobicContact CD2-CB 4.26Å; L74-L424 HydrophobicContact CD2-CD2 3.72Å; L74-L427 HydrophobicContact CD1-CB 4.31Å; L74-Y428 HydrophobicContact CB-CD2 3.88Å; L74-Y428 WeakPolarHBondContact O-CD2 3.45Å; L74-Y428 WeakPolarHBondContact O-CE2 3.34Å; L74-Q444 HydrophobicContact CD1-CB 4.31Å; L74-L446 HydrophobicContact CD1-CD1 4.1Å; L74-L446 HydrophobicContact CD1-CG 4.43Å; L74-L446 HydrophobicContact CD2-CD1 3.79Å; L74-L446 HydrophobicContact CG-CD1 4.06Å; L74-L446 HydrophobicContact CG-CG 4.41Å
75	S	57.2	Low	63.9	Low	37 Å²	37	76.9 Å²	76.9	26%	0.259	39%	0.385	S	S	.	.			trans	-132.1	139.9	-176.8	166.6	0	0	0	0	109.3	L73 N77 E80	L73-S75 PolarHBondContact O-N 2.91Å; S75-N77 PolarHBondContact O-N 2.85Å; S75-N77 VanDerWaalsContact O-N 3.15Å; S75-N77 WeakPolarHBondContact OG-CB 3.43Å; S75-N77 PolarHBondContact OG-N 2.98Å; S75-E80 WeakPolarHBondContact CB-OE2 3.49Å; S75-E80 PolarHBondContact OG-OE2 3.04Å
76	A	53.4	Low	65	Low	60 Å²	60	79.2 Å²	79.2	50%	0.496	40%	0.399	S	S	.	.	S	Bend	trans	-70	-3.7	176.4	0	0	0	0	0	113.2	A78	A76-A78 PolarHBondContact O-N 3.3Å
77	N	63	Low	66.1	Low	78 Å²	78	76.8 Å²	76.8	42%	0.417	38%	0.38	S	S	.	.			trans	-77.8	110.9	-177	-170.6	-4.2	0	0	0	112.1	S75 L79 E80 I81	S75-N77 PolarHBondContact O-N 2.85Å; S75-N77 VanDerWaalsContact O-N 3.15Å; S75-N77 WeakPolarHBondContact OG-CB 3.43Å; S75-N77 PolarHBondContact OG-N 2.98Å; N77-L79 PolarHBondContact O-N 3.42Å; N77-L79 VanDerWaalsContact O-N 3.11Å; N77-L79 WeakPolarHBondContact OD1-CB 3.38Å; N77-L79 PolarHBondContact OD1-N 3.02Å; N77-L79 VanDerWaalsContact OD1-N 3.1Å; N77-E80 HydrophobicContact CB-CB 4.36Å; N77-E80 HydrophobicContact CB-CG 4.21Å; N77-E80 PolarHBondContact O-N 2.85Å; N77-I81 PolarHBondContact O-N 3.01Å
78	A	64.6	Low	67.2	Low	60 Å²	60	73.5 Å²	73.5	50%	0.496	37%	0.368	S	S	.	.	H	α-helix	trans	-56.5	-27.3	177.2	0	0	0	0	0	113.8	A76 R82	A76-A78 PolarHBondContact O-N 3.3Å; A78-R82 WeakPolarHBondContact O-CG 3.33Å; A78-R82 PolarHBondContact O-N 2.77Å; A78-R82 VanDerWaalsContact O-N 3.12Å
79	L	66.7	Low	68.4	Low	103 Å²	103	75.8 Å²	75.8	54%	0.539	38%	0.377	S	S	.	.	H	α-helix	trans	-70.6	-34.4	176.6	-172.4	68.4	0	0	0	112.2	N77 K83	N77-L79 PolarHBondContact O-N 3.42Å; N77-L79 VanDerWaalsContact O-N 3.11Å; N77-L79 WeakPolarHBondContact OD1-CB 3.38Å; N77-L79 PolarHBondContact OD1-N 3.02Å; N77-L79 VanDerWaalsContact OD1-N 3.1Å; L79-K83 WeakPolarHBondContact O-CG 3.45Å; L79-K83 PolarHBondContact O-N 3.4Å
80	E	68.3	Low	69.4	Low	85 Å²	85	71.3 Å²	71.3	40%	0.397	37%	0.365	S	S	.	.	H	α-helix	trans	-75.4	-37.5	177	-69.4	-172.9	145.9	0	0	111.6	S75 N77 R82 K83 I84	S75-E80 WeakPolarHBondContact CB-OE2 3.49Å; S75-E80 PolarHBondContact OG-OE2 3.04Å; N77-E80 HydrophobicContact CB-CB 4.36Å; N77-E80 HydrophobicContact CB-CG 4.21Å; N77-E80 PolarHBondContact O-N 2.85Å; E80-R82 VanDerWaalsContact C-N 3.32Å; E80-R82 PolarHBondContact O-N 3.02Å; E80-K83 WeakPolarHBondContact O-CB 3.45Å; E80-K83 PolarHBondContact O-N 2.93Å; E80-K83 VanDerWaalsContact O-N 3.17Å; E80-I84 WeakPolarHBondContact O-CG1 2.93Å; E80-I84 PolarHBondContact O-N 3.45Å
81	I	69.6	Low	69.9	Low	11 Å²	11	66.6 Å²	66.6	6%	0.056	35%	0.349	C	S	.	.	H	α-helix	trans	-58.6	-45.1	172	-62.9	174.3	0	0	0	110.3	N77 K83 I84 E85 Q425	N77-I81 PolarHBondContact O-N 3.01Å; I81-K83 VanDerWaalsContact C-N 3.34Å; I81-K83 PolarHBondContact O-N 3.15Å; I81-I84 WeakPolarHBondContact O-CB 3.4Å; I81-I84 PolarHBondContact O-N 3.17Å; I81-I84 VanDerWaalsContact O-N 3.16Å; I81-E85 HydrophobicContact CG2-CG 4.46Å; I81-E85 WeakPolarHBondContact O-CG 3.19Å; I81-E85 PolarHBondContact O-N 3.2Å; I81-Q425 HydrophobicContact CD1-CG 4.35Å
82	R	71.5	Confident	70.3	Confident	177 Å²	177	64.2 Å²	64.2	67%	0.668	33%	0.331	S	S	*	.	H	α-helix	trans	-60.7	-38.7	175.2	-77.5	-172.8	-174.6	-172.7	3.1	113.4	A78 E80 I84 E85 E86	A78-R82 WeakPolarHBondContact O-CG 3.33Å; A78-R82 PolarHBondContact O-N 2.77Å; A78-R82 VanDerWaalsContact O-N 3.12Å; E80-R82 VanDerWaalsContact C-N 3.32Å; E80-R82 PolarHBondContact O-N 3.02Å; R82-I84 VanDerWaalsContact C-N 3.34Å; R82-E85 PolarHBondContact O-N 2.91Å; R82-E86 WeakPolarHBondContact O-CB 3.31Å; R82-E86 PolarHBondContact O-N 2.82Å
83	K	76.4	Confident	70.2	Confident	119 Å²	119	63.3 Å²	63.3	52%	0.517	33%	0.331	S	S	.	.	H	α-helix	trans	-65	-39.2	175.3	-72.4	174.8	-178.2	178.6	0	111.7	L79 E80 I81 L87	L79-K83 WeakPolarHBondContact O-CG 3.45Å; L79-K83 PolarHBondContact O-N 3.4Å; E80-K83 WeakPolarHBondContact O-CB 3.45Å; E80-K83 PolarHBondContact O-N 2.93Å; E80-K83 VanDerWaalsContact O-N 3.17Å; I81-K83 VanDerWaalsContact C-N 3.34Å; I81-K83 PolarHBondContact O-N 3.15Å; K83-L87 WeakPolarHBondContact O-CB 3.47Å; K83-L87 VanDerWaalsContact O-CG 3.27Å; K83-L87 WeakPolarHBondContact O-CG 3.48Å; K83-L87 PolarHBondContact O-N 2.82Å
84	I	74.4	Confident	70.3	Confident	20 Å²	20	61.1 Å²	61.1	10%	0.103	32%	0.323	C	S	.	.	H	α-helix	trans	-65.8	-42.2	175.3	-67.4	167.3	0	0	0	110.3	F72 E80 I81 R82 L87 I88 I451	F72-I84 HydrophobicContact CB-CD1 4.33Å; F72-I84 HydrophobicContact CD1-CD1 4.1Å; F72-I84 HydrophobicContact CD1-CG1 3.81Å; F72-I84 HydrophobicContact CE1-CG1 4.27Å; E80-I84 WeakPolarHBondContact O-CG1 2.93Å; E80-I84 PolarHBondContact O-N 3.45Å; I81-I84 WeakPolarHBondContact O-CB 3.4Å; I81-I84 PolarHBondContact O-N 3.17Å; I81-I84 VanDerWaalsContact O-N 3.16Å; R82-I84 VanDerWaalsContact C-N 3.34Å; I84-L87 WeakPolarHBondContact O-CB 3.32Å; I84-L87 PolarHBondContact O-N 3.4Å; I84-I88 HydrophobicContact CG2-CD1 3.99Å; I84-I88 VanDerWaalsContact O-CG1 3.28Å; I84-I88 WeakPolarHBondContact O-CG1 3.18Å; I84-I88 PolarHBondContact O-N 3.16Å; I84-I451 HydrophobicContact CD1-CD1 4.36Å; I84-I451 HydrophobicContact CG2-CD1 3.87Å; I84-I451 HydrophobicContact CG2-CG2 3.91Å
85	E	73.3	Confident	70.3	Confident	27 Å²	27	68.3 Å²	68.3	13%	0.126	36%	0.356	C	S	.	.	H	α-helix	trans	-61.7	-44.9	175.8	-72.3	175.2	159.1	0	0	112.2	I81 R82 L87 I88 E89 L417 L420	I81-E85 HydrophobicContact CG2-CG 4.46Å; I81-E85 WeakPolarHBondContact O-CG 3.19Å; I81-E85 PolarHBondContact O-N 3.2Å; R82-E85 PolarHBondContact O-N 2.91Å; E85-L87 VanDerWaalsContact C-N 3.32Å; E85-L87 PolarHBondContact O-N 3.32Å; E85-I88 PolarHBondContact O-N 3.23Å; E85-I88 VanDerWaalsContact O-N 3.11Å; E85-E89 PolarHBondContact O-N 3.43Å; E85-L417 HydrophobicContact CG-CD2 4.2Å; E85-L417 WeakPolarHBondContact OE1-CD2 3.38Å; E85-L420 HydrophobicContact CG-CD2 4.11Å
86	E	78.5	Confident	70.7	Confident	134 Å²	134	68.4 Å²	68.4	63%	0.626	36%	0.357	S	S	*	.	H	α-helix	trans	-62.9	-39.6	176.7	-167.4	174.3	-161	0	0	111.3	R82 E89 T90	R82-E86 WeakPolarHBondContact O-CB 3.31Å; R82-E86 PolarHBondContact O-N 2.82Å; E86-E89 PolarHBondContact O-N 3.15Å; E86-T90 WeakPolarHBondContact O-CB 3.37Å; E86-T90 PolarHBondContact O-N 2.7Å; E86-T90 PolarHBondContact O-OG1 3.3Å
87	L	79.1	Confident	71.9	Confident	47 Å²	47	70.2 Å²	70.2	25%	0.246	35%	0.351	C	S	.	.	H	α-helix	trans	-62.8	-41.2	171.6	-74.8	168.8	0	0	0	111.8	W67 F72 K83 I84 E85 T90 H91 L448	W67-L87 HydrophobicContact CH2-CD2 4.49Å; W67-L87 HydrophobicContact CZ3-CD2 4.26Å; F72-L87 HydrophobicContact CE1-CD1 3.89Å; F72-L87 HydrophobicContact CZ-CD1 4.14Å; K83-L87 WeakPolarHBondContact O-CB 3.47Å; K83-L87 VanDerWaalsContact O-CG 3.27Å; K83-L87 WeakPolarHBondContact O-CG 3.48Å; K83-L87 PolarHBondContact O-N 2.82Å; I84-L87 WeakPolarHBondContact O-CB 3.32Å; I84-L87 PolarHBondContact O-N 3.4Å; E85-L87 VanDerWaalsContact C-N 3.32Å; E85-L87 PolarHBondContact O-N 3.32Å; L87-T90 PolarHBondContact O-N 2.76Å; L87-H91 WeakPolarHBondContact O-CB 3.42Å; L87-H91 PolarHBondContact O-N 3.49Å; L87-H91 PolarHBondContact O-ND1 3.03Å; L87-L448 HydrophobicContact CB-CD1 4.27Å
88	I	76.7	Confident	73	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-65.8	-46.1	177	-68	168.2	0	0	0	110.6	I84 E85 T90 H91 F92 G93 L448 I451 R455	I84-I88 HydrophobicContact CG2-CD1 3.99Å; I84-I88 VanDerWaalsContact O-CG1 3.28Å; I84-I88 WeakPolarHBondContact O-CG1 3.18Å; I84-I88 PolarHBondContact O-N 3.16Å; E85-I88 PolarHBondContact O-N 3.23Å; E85-I88 VanDerWaalsContact O-N 3.11Å; I88-T90 VanDerWaalsContact C-N 3.27Å; I88-T90 PolarHBondContact O-N 3.45Å; I88-H91 PolarHBondContact O-N 3.35Å; I88-F92 HydrophobicContact CG2-CB 4.21Å; I88-F92 HydrophobicContact CG2-CD2 4.15Å; I88-F92 HydrophobicContact CG2-CG 4.48Å; I88-F92 WeakPolarHBondContact O-CA 3.48Å; I88-F92 VanDerWaalsContact O-CB 3.29Å; I88-F92 WeakPolarHBondContact O-CB 3.02Å; I88-F92 PolarHBondContact O-N 3.31Å; I88-G93 PolarHBondContact O-N 3.39Å; I88-L448 HydrophobicContact CG1-CD1 3.72Å; I88-I451 HydrophobicContact CD1-CB 4.35Å; I88-I451 HydrophobicContact CD1-CG2 3.69Å; I88-R455 VanDerWaalsContact CG2-NH1 3.27Å
89	E	78.1	Confident	74.2	Confident	90 Å²	90	66.6 Å²	66.6	42%	0.421	32%	0.319	S	S	.	.	H	α-helix	trans	-61.6	-37	175.7	-73	-58.7	143.9	0	0	111.9	E85 E86 G93 R455	E85-E89 PolarHBondContact O-N 3.43Å; E86-E89 PolarHBondContact O-N 3.15Å; E89-G93 WeakPolarHBondContact O-CA 3.44Å; E89-G93 PolarHBondContact O-N 3.11Å; E89-R455 IonicContact OE1-CZ 3.67Å; E89-R455 IonicContact OE1-NH1 3.63Å; E89-R455 PolarHBondContact OE1-NH1 3.08Å; E89-R455 IonicContact OE1-NH2 3.21Å; E89-R455 PolarHBondContact OE1-NH2 3.35Å
90	T	78.6	Confident	75.1	Confident	88 Å²	88	61.8 Å²	61.8	54%	0.54	29%	0.293	S	S	.	.	H	α-helix	trans	-69	-37.2	178.4	-55.1	0	0	0	0	112.3	E86 L87 I88	E86-T90 WeakPolarHBondContact O-CB 3.37Å; E86-T90 PolarHBondContact O-N 2.7Å; E86-T90 PolarHBondContact O-OG1 3.3Å; L87-T90 PolarHBondContact O-N 2.76Å; I88-T90 VanDerWaalsContact C-N 3.27Å; I88-T90 PolarHBondContact O-N 3.45Å
91	H	74.3	Confident	75.9	Confident	43 Å²	43	57.7 Å²	57.7	20%	0.199	27%	0.274	C	S	.	.	H	α-helix	trans	-95.6	-32.8	-173.8	-68.5	81.9	0	0	0	113.6	W67 L87 I88 L177 L448	W67-H91 AromaticContact CE2-NE2 3.75Å; W67-H91 AromaticContact NE1-NE2 3.79Å; L87-H91 WeakPolarHBondContact O-CB 3.42Å; L87-H91 PolarHBondContact O-N 3.49Å; L87-H91 PolarHBondContact O-ND1 3.03Å; I88-H91 PolarHBondContact O-N 3.35Å; H91-L177 HydrophobicContact CB-CD1 4.12Å; H91-L177 WeakPolarHBondContact O-CB 3.14Å; H91-L448 HydrophobicContact CB-CD2 4.49Å
92	F	74.6	Confident	76.4	Confident	19 Å²	19	58.8 Å²	58.8	8%	0.083	28%	0.279	C	S	.	.	H	α-helix	trans	-115.8	-8.6	-175.6	-62.6	-95.5	0	0	0	113.2	I88 L177 L448 H452	I88-F92 HydrophobicContact CG2-CB 4.21Å; I88-F92 HydrophobicContact CG2-CD2 4.15Å; I88-F92 HydrophobicContact CG2-CG 4.48Å; I88-F92 WeakPolarHBondContact O-CA 3.48Å; I88-F92 VanDerWaalsContact O-CB 3.29Å; I88-F92 WeakPolarHBondContact O-CB 3.02Å; I88-F92 PolarHBondContact O-N 3.31Å; F92-L177 HydrophobicContact CD1-CB 3.81Å; F92-L177 WeakPolarHBondContact CD1-O 3.35Å; F92-L177 HydrophobicContact CE1-CB 3.65Å; F92-L177 HydrophobicContact CE1-CD1 4.49Å; F92-L177 HydrophobicContact CE1-CD2 4.06Å; F92-L177 HydrophobicContact CE1-CG 4.26Å; F92-L177 HydrophobicContact CE2-CB 4.35Å; F92-L177 HydrophobicContact CE2-CD1 4.08Å; F92-L177 HydrophobicContact CG-CB 4.25Å; F92-L177 HydrophobicContact CZ-CB 3.94Å; F92-L177 HydrophobicContact CZ-CD1 3.93Å; F92-L177 HydrophobicContact CZ-CD2 4.01Å; F92-L177 HydrophobicContact CZ-CG 4.17Å; F92-L448 HydrophobicContact CE2-CD2 4.04Å; F92-L448 HydrophobicContact CE2-CG 4.07Å; F92-H452 HydrophobicContact CD1-CB 4.46Å; F92-H452 AromaticContact CD1-CD2 3.48Å; F92-H452 VanDerWaalsContact CD1-CD2 3.48Å; F92-H452 WeakPolarHBondContact CD1-CD2 3.42Å; F92-H452 AromaticContact CD1-CE1 3.56Å; F92-H452 AromaticContact CD1-CG 3.58Å; F92-H452 AromaticContact CD1-ND1 3.61Å; F92-H452 AromaticContact CD1-NE2 3.46Å; F92-H452 WeakPolarHBondContact CD1-NE2 3.23Å; F92-H452 HydrophobicContact CD2-CB 4.33Å; F92-H452 AromaticContact CD2-CD2 3.85Å; F92-H452 HydrophobicContact CE1-CB 4.23Å; F92-H452 AromaticContact CE1-CG 3.69Å; F92-H452 AromaticContact CE1-ND1 3.64Å; F92-H452 HydrophobicContact CE2-CB 4.09Å; F92-H452 AromaticContact CG-CD2 3.35Å; F92-H452 WeakPolarHBondContact CG-CD2 3.41Å; F92-H452 AromaticContact CG-CG 3.78Å; F92-H452 AromaticContact CG-NE2 3.63Å; F92-H452 HydrophobicContact CZ-CB 4.04Å; F92-H452 AromaticContact CZ-CG 3.99Å
93	G	69.6	Low	76.6	Confident	14 Å²	14	52.6 Å²	52.6	14%	0.144	26%	0.255	C	S	.	.	S	Bend	trans	-78.2	152.6	173.4	0	0	0	0	0	112.4	I88 E89	I88-G93 PolarHBondContact O-N 3.39Å; E89-G93 WeakPolarHBondContact O-CA 3.44Å; E89-G93 PolarHBondContact O-N 3.11Å
94	S	66.6	Low	76.3	Confident	49 Å²	49	47.4 Å²	47.4	34%	0.343	23%	0.234	S	C	.	.			trans	-98.4	134.1	-178	173.2	0	0	0	0	111.2	S96 R97 D151	S94-S96 PolarHBondContact OG-N 3.29Å; S94-R97 PolarHBondContact OG-N 2.74Å; S94-R97 VanDerWaalsContact OG-N 3.11Å; S94-D151 WeakPolarHBondContact CB-OD1 3.46Å; S94-D151 PolarHBondContact OG-OD1 3.28Å; S94-D151 PolarHBondContact OG-OD2 3.4Å; S94-D151 VanDerWaalsContact OG-OD2 3.05Å
95	H	63	Low	75.7	Confident	174 Å²	174	49.7 Å²	49.7	81%	0.806	25%	0.25	S	C	*	.	S	Bend	trans	-101.8	-14.2	172.6	-63.5	-58.8	0	0	0	113.6
96	S	63.6	Low	75	Confident	39 Å²	39	51.8 Å²	51.8	27%	0.273	27%	0.267	S	S	.	.	S	Bend	trans	-122.3	-9.4	-169.1	47	0	0	0	0	115.8	S94 R98 D151	S94-S96 PolarHBondContact OG-N 3.29Å; S96-R98 PolarHBondContact O-N 3.35Å; S96-D151 PolarHBondContact OG-OD2 3.06Å
97	R	80.2	Confident	74.3	Confident	97 Å²	97	46.9 Å²	46.9	37%	0.366	25%	0.245	S	C	.	.			trans	22.8	62.4	-169.2	-72	-152.4	179.8	-149.6	2.1	113.1	S94 H122 G123 Y124 S125 D151 N413	S94-R97 PolarHBondContact OG-N 2.74Å; S94-R97 VanDerWaalsContact OG-N 3.11Å; R97-H122 PolarHBondContact NH1-O 2.86Å; R97-G123 WeakPolarHBondContact CB-O 3.29Å; R97-Y124 HydrophobicContact CB-CD1 4.38Å; R97-Y124 CarbonylContact O-C 3.53Å; R97-Y124 VanDerWaalsContact O-CA 3.3Å; R97-Y124 WeakPolarHBondContact O-CA 3.33Å; R97-S125 PolarHBondContact O-N 3.29Å; R97-S125 PolarHBondContact O-OG 3.11Å; R97-D151 WeakPolarHBondContact CA-OD2 3.28Å; R97-D151 PolarHBondContact N-OD2 2.97Å; R97-N413 PolarHBondContact NH2-OD1 2.94Å; R97-N413 VanDerWaalsContact NH2-OD1 3.11Å
98	R	86.4	Confident	73.6	Confident	63 Å²	63	46.6 Å²	46.6	24%	0.238	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	128.9	-179.5	-173.7	-176.7	-63.3	174.9	-2	110.6	S96 S125 V127 D146 S149 D151 L152	S96-R98 PolarHBondContact O-N 3.35Å; R98-S125 CarbonylContact C-O 3.6Å; R98-S125 WeakPolarHBondContact CA-O 3.46Å; R98-S125 WeakPolarHBondContact CA-OG 3.46Å; R98-V127 HydrophobicContact CG-CG2 4.34Å; R98-D146 PolarHBondContact NH1-O 2.88Å; R98-S149 VanDerWaalsContact CD-O 3.31Å; R98-S149 WeakPolarHBondContact CD-O 3.32Å; R98-D151 PolarHBondContact N-OD2 3.46Å; R98-D151 PolarHBondContact O-N 3.03Å; R98-L152 PolarHBondContact O-N 3.44Å
99	A	88.3	Confident	73.1	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	131.6	177.9	0	0	0	0	0	111.2	L119 Y124 S125 V126 V127 L152	A99-L119 HydrophobicContact CB-CD1 4.05Å; A99-Y124 HydrophobicContact CB-CD1 3.87Å; A99-Y124 HydrophobicContact CB-CG 4.07Å; A99-S125 PolarHBondContact N-O 2.9Å; A99-V126 HydrophobicContact CB-CG2 4.46Å; A99-V126 CarbonylContact O-C 3.41Å; A99-V126 WeakPolarHBondContact O-CA 3.44Å; A99-V127 PolarHBondContact O-N 2.68Å; A99-L152 CarbonylContact C-O 3.51Å; A99-L152 VanDerWaalsContact CA-O 3.25Å; A99-L152 WeakPolarHBondContact CA-O 3.29Å; A99-L152 HydrophobicContact CB-CB 4.04Å; A99-L152 HydrophobicContact CB-CD2 4.14Å; A99-L152 HydrophobicContact CB-CG 4.38Å
100	I	86.3	Confident	72.6	Confident	1 Å²	1	56 Å²	56	1%	0.005	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	122	175.8	-58.9	-177.3	0	0	0	108.4	V127 V129 L142 W150 L152 L153 I154	I100-V127 CarbonylContact C-O 3.54Å; I100-V127 WeakPolarHBondContact CA-O 3.28Å; I100-V129 HydrophobicContact CG2-CB 4.45Å; I100-V129 HydrophobicContact CG2-CG2 3.87Å; I100-L142 HydrophobicContact CD1-CD2 3.4Å; I100-L142 VanDerWaalsContact CD1-CD2 3.4Å; I100-W150 HydrophobicContact CD1-CB 3.62Å; I100-W150 HydrophobicContact CD1-CD2 4.16Å; I100-W150 HydrophobicContact CD1-CG 3.52Å; I100-W150 HydrophobicContact CG1-CB 3.9Å; I100-W150 HydrophobicContact CG1-CG 4.22Å; I100-L152 PolarHBondContact N-O 3.27Å; I100-L153 HydrophobicContact CB-CD1 3.82Å; I100-L153 HydrophobicContact CG2-CD1 3.73Å; I100-L153 WeakPolarHBondContact O-CA 3.43Å; I100-I154 PolarHBondContact O-N 2.94Å
101	L	85.6	Confident	72.3	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	107.6	169.8	-66.5	179.9	0	0	0	108.4	L115 Q116 L119 V126 V127 T128 V129 I154	L101-L115 HydrophobicContact CD1-CB 4.21Å; L101-L115 HydrophobicContact CD2-CB 4.36Å; L101-Q116 HydrophobicContact CD1-CG 3.6Å; L101-L119 HydrophobicContact CD2-CD1 3.7Å; L101-L119 HydrophobicContact CG-CD1 4.32Å; L101-V126 HydrophobicContact CD1-CG1 3.48Å; L101-V126 VanDerWaalsContact CD1-CG1 3.48Å; L101-V126 HydrophobicContact CG-CG1 3.59Å; L101-V127 PolarHBondContact N-O 2.96Å; L101-T128 HydrophobicContact CB-CG2 4.5Å; L101-T128 WeakPolarHBondContact O-CA 3.29Å; L101-V129 PolarHBondContact O-N 3.18Å; L101-I154 HydrophobicContact CD2-CB 3.63Å; L101-I154 HydrophobicContact CD2-CG1 3.97Å; L101-I154 HydrophobicContact CD2-CG2 4.05Å
102	F	80.4	Confident	72.4	Confident	34 Å²	34	51.6 Å²	51.6	15%	0.149	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	121.4	175.3	-173.4	-87.4	0	0	0	109.8	V129 E131 L153 I154 L156 C166	F102-V129 WeakPolarHBondContact CA-O 2.95Å; F102-V129 HydrophobicContact CD2-CB 4.4Å; F102-V129 HydrophobicContact CD2-CG1 4.23Å; F102-V129 HydrophobicContact CE2-CG1 4.44Å; F102-E131 HydrophobicContact CE1-CB 4.33Å; F102-E131 HydrophobicContact CZ-CB 4.05Å; F102-E131 HydrophobicContact CZ-CG 4.33Å; F102-L153 HydrophobicContact CB-CD1 4.15Å; F102-I154 PolarHBondContact N-O 3.24Å; F102-L156 WeakPolarHBondContact O-CB 3.4Å; F102-L156 PolarHBondContact O-N 3.41Å; F102-C166 HydrophobicContact CD1-CB 3.62Å; F102-C166 WeakPolarHBondContact CD1-SG 3.18Å; F102-C166 HydrophobicContact CE1-CB 3.94Å; F102-C166 HydrophobicContact CG-CB 4.27Å
103	R	75	Confident	72.7	Confident	47 Å²	47	56.8 Å²	56.8	18%	0.177	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	145.2	-175.9	75.1	177.3	-172.5	105.3	-4.2	113.3	L112 T128 V129 E130 E131	R103-L112 HydrophobicContact CB-CD2 4.27Å; R103-L112 VanDerWaalsContact CD-CD1 3.49Å; R103-T128 HydrophobicContact CG-CG2 4.37Å; R103-V129 PolarHBondContact N-O 3.21Å; R103-E130 HydrophobicContact CG-CB 4.16Å; R103-E130 HydrophobicContact CG-CG 4.28Å; R103-E130 IonicContact CZ-OE1 3.49Å; R103-E130 IonicContact CZ-OE2 3.69Å; R103-E130 IonicContact NE-OE1 2.63Å; R103-E130 IonicContact NE-OE2 3.11Å; R103-E130 IonicContact NH1-OE1 3.51Å; R103-E130 PolarHBondContact NH1-OE1 2.92Å; R103-E130 IonicContact NH2-OE1 2.63Å; R103-E130 PolarHBondContact NH2-OE1 3.23Å; R103-E130 IonicContact NH2-OE2 3.66Å; R103-E130 PolarHBondContact NH2-OE2 3.04Å; R103-E131 PolarHBondContact O-N 3.06Å
104	S	69.7	Low	73.3	Confident	10 Å²	10	58 Å²	58	7%	0.07	29%	0.29	C	S	.	.			trans	-81.6	155.2	161.7	-154.7	0	0	0	0	111	S106 H107 E131	S104-S106 PolarHBondContact O-N 3.32Å; S104-S106 VanDerWaalsContact O-N 3.08Å; S104-H107 PolarHBondContact O-N 3.22Å; S104-E131 PolarHBondContact OG-OE2 2.78Å
105	P	62.9	Low	74.3	Confident	67 Å²	67	56.1 Å²	56.1	44%	0.435	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-19.6	-176.5	-23.6	34.6	0	0	0	114.7
106	S	58.4	Low	75.4	Confident	71 Å²	71	51.4 Å²	51.4	50%	0.497	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-5.1	-177.1	52.6	0	0	0	0	115.2	S104	S104-S106 PolarHBondContact O-N 3.32Å; S104-S106 VanDerWaalsContact O-N 3.08Å
107	H	63.6	Low	76.6	Confident	32 Å²	32	54.6 Å²	54.6	15%	0.148	27%	0.266	C	S	.	.	S	Bend	trans	-79.5	142.4	-177.5	-92.3	-81.4	0	0	0	114	S104 E111 L156 P157	S104-H107 PolarHBondContact O-N 3.22Å; H107-E111 IonicContact ND1-OE2 3.84Å; H107-L156 PolarHBondContact NE2-O 2.69Å; H107-P157 PolarHBondContact NE2-O 2.91Å
108	S	64.6	Low	77	Confident	40 Å²	40	50.2 Å²	50.2	28%	0.28	25%	0.249	S	C	.	.			trans	-76.3	138.1	-176.1	79.3	0	0	0	0	112.5	E111 L112	S108-E111 PolarHBondContact O-N 3.45Å; S108-E111 VanDerWaalsContact OG-CG 3.26Å; S108-E111 WeakPolarHBondContact OG-CG 3.46Å; S108-E111 PolarHBondContact OG-OE1 2.74Å; S108-E111 PolarHBondContact OG-OE2 3.5Å; S108-L112 PolarHBondContact O-N 3.38Å
109	R	65.3	Low	77.1	Confident	212 Å²	212	47.2 Å²	47.2	80%	0.8	24%	0.238	S	C	*	.	H	α-helix	trans	-55	-38.4	176.8	-69.8	-175.5	-179.6	-177.5	0.3	114.3	Q113	R109-Q113 WeakPolarHBondContact O-CG 3.32Å; R109-Q113 PolarHBondContact O-N 3.2Å
110	P	68.4	Low	77	Confident	75 Å²	75	49.1 Å²	49.1	49%	0.487	26%	0.258	S	S	.	.	H	α-helix	trans	-68	-35.2	-179.9	-21.6	34	0	0	0	114.7	Q113 T114	P110-Q113 PolarHBondContact O-N 3.36Å; P110-T114 PolarHBondContact O-N 3.4Å; P110-T114 VanDerWaalsContact O-N 3.09Å; P110-T114 PolarHBondContact O-OG1 3.23Å
111	E	71.4	Confident	77.1	Confident	26 Å²	26	54.3 Å²	54.3	12%	0.121	28%	0.282	C	S	.	.	H	α-helix	trans	-66	-40.8	177.6	-75.5	159.6	-173.4	0	0	110.7	H107 S108 T114 L115 R159 R386	H107-E111 IonicContact ND1-OE2 3.84Å; S108-E111 PolarHBondContact O-N 3.45Å; S108-E111 VanDerWaalsContact OG-CG 3.26Å; S108-E111 WeakPolarHBondContact OG-CG 3.46Å; S108-E111 PolarHBondContact OG-OE1 2.74Å; S108-E111 PolarHBondContact OG-OE2 3.5Å; E111-T114 WeakPolarHBondContact O-CB 3.28Å; E111-T114 PolarHBondContact O-N 2.91Å; E111-L115 PolarHBondContact O-N 3.48Å; E111-R159 IonicContact OE1-NH2 3.71Å; E111-R159 PolarHBondContact OE1-NH2 3.37Å; E111-R159 IonicContact OE2-NH2 2.76Å; E111-R386 IonicContact OE1-CZ 3.36Å; E111-R386 IonicContact OE1-NH1 3.71Å; E111-R386 PolarHBondContact OE1-NH1 3.01Å; E111-R386 IonicContact OE1-NH2 2.74Å; E111-R386 PolarHBondContact OE1-NH2 3.01Å
112	L	76.4	Confident	77	Confident	13 Å²	13	55.9 Å²	55.9	7%	0.068	29%	0.289	C	S	.	.	H	α-helix	trans	-63.5	-44.5	175.8	-70.1	164	0	0	0	112.4	R103 S108 T114 L115 Q116 L156	R103-L112 HydrophobicContact CB-CD2 4.27Å; R103-L112 VanDerWaalsContact CD-CD1 3.49Å; S108-L112 PolarHBondContact O-N 3.38Å; L112-T114 PolarHBondContact O-N 3.28Å; L112-L115 PolarHBondContact O-N 3.45Å; L112-Q116 WeakPolarHBondContact O-CB 3.42Å; L112-Q116 VanDerWaalsContact O-CG 3.29Å; L112-Q116 WeakPolarHBondContact O-CG 3.28Å; L112-Q116 PolarHBondContact O-N 2.89Å; L112-L156 HydrophobicContact CD2-CD1 3.76Å
113	Q	81.1	Confident	77.2	Confident	128 Å²	128	56.5 Å²	56.5	60%	0.598	31%	0.305	S	S	*	.	H	α-helix	trans	-60.9	-36.6	175.6	-73.6	177.6	-12.6	0	0	111.8	R109 P110 H117	R109-Q113 WeakPolarHBondContact O-CG 3.32Å; R109-Q113 PolarHBondContact O-N 3.2Å; P110-Q113 PolarHBondContact O-N 3.36Å; Q113-H117 VanDerWaalsContact O-CB 3.32Å; Q113-H117 WeakPolarHBondContact O-CB 3.26Å; Q113-H117 PolarHBondContact O-N 2.92Å
114	T	83.3	Confident	77.8	Confident	39 Å²	39	55.9 Å²	55.9	24%	0.239	30%	0.303	C	S	.	.	H	α-helix	trans	-65.7	-46.9	177	-58.3	0	0	0	0	111.1	P110 E111 L112 H117 L118 K400	P110-T114 PolarHBondContact O-N 3.4Å; P110-T114 VanDerWaalsContact O-N 3.09Å; P110-T114 PolarHBondContact O-OG1 3.23Å; E111-T114 WeakPolarHBondContact O-CB 3.28Å; E111-T114 PolarHBondContact O-N 2.91Å; L112-T114 PolarHBondContact O-N 3.28Å; T114-H117 PolarHBondContact O-N 3.3Å; T114-L118 HydrophobicContact CG2-CD1 4.11Å; T114-L118 HydrophobicContact CG2-CG 4.5Å; T114-L118 VanDerWaalsContact O-CG 3.31Å; T114-L118 WeakPolarHBondContact O-CG 3.35Å; T114-L118 PolarHBondContact O-N 2.87Å; T114-K400 HydrophobicContact CG2-CB 4.31Å; T114-K400 HydrophobicContact CG2-CD 3.97Å; T114-K400 HydrophobicContact CG2-CG 3.8Å
115	L	85.7	Confident	78.6	Confident	10 Å²	10	58.3 Å²	58.3	5%	0.052	32%	0.32	C	S	.	.	H	α-helix	trans	-63.5	-43.1	176.6	-76.7	166.4	0	0	0	112.2	L101 E111 L112 H117 L118 L119 L156 L403 F407	L101-L115 HydrophobicContact CD1-CB 4.21Å; L101-L115 HydrophobicContact CD2-CB 4.36Å; E111-L115 PolarHBondContact O-N 3.48Å; L112-L115 PolarHBondContact O-N 3.45Å; L115-H117 VanDerWaalsContact C-N 3.34Å; L115-H117 PolarHBondContact O-N 3.38Å; L115-L118 PolarHBondContact O-N 3.06Å; L115-L119 WeakPolarHBondContact O-CB 3.4Å; L115-L119 VanDerWaalsContact O-CG 3.28Å; L115-L119 WeakPolarHBondContact O-CG 3.43Å; L115-L119 PolarHBondContact O-N 3.29Å; L115-L156 HydrophobicContact CD1-CD1 3.68Å; L115-L156 HydrophobicContact CD1-CD2 3.91Å; L115-L156 HydrophobicContact CD1-CG 4.38Å; L115-L403 HydrophobicContact CD2-CD1 4.03Å; L115-L403 HydrophobicContact CD2-CD2 4.37Å; L115-F407 HydrophobicContact CD2-CE2 3.84Å; L115-F407 HydrophobicContact CD2-CZ 3.79Å
116	Q	87.3	Confident	79.7	Confident	75 Å²	75	57 Å²	57	35%	0.35	31%	0.311	S	S	.	.	H	α-helix	trans	-58.1	-46.4	174.7	-74.1	173.2	-15.7	0	0	111.4	L101 L112 G120 V126 T128	L101-Q116 HydrophobicContact CD1-CG 3.6Å; L112-Q116 WeakPolarHBondContact O-CB 3.42Å; L112-Q116 VanDerWaalsContact O-CG 3.29Å; L112-Q116 WeakPolarHBondContact O-CG 3.28Å; L112-Q116 PolarHBondContact O-N 2.89Å; Q116-G120 PolarHBondContact O-N 2.98Å; Q116-V126 HydrophobicContact CG-CB 4.37Å; Q116-V126 HydrophobicContact CG-CG1 3.84Å; Q116-T128 PolarHBondContact NE2-OG1 3.47Å
117	H	87.6	Confident	80.9	Confident	107 Å²	107	56 Å²	56	50%	0.495	30%	0.302	S	S	.	.	H	α-helix	trans	-63.7	-46	178.9	-176.9	72.8	0	0	0	112.2	Q113 T114 L115 G120 Q121	Q113-H117 VanDerWaalsContact O-CB 3.32Å; Q113-H117 WeakPolarHBondContact O-CB 3.26Å; Q113-H117 PolarHBondContact O-N 2.92Å; T114-H117 PolarHBondContact O-N 3.3Å; L115-H117 VanDerWaalsContact C-N 3.34Å; L115-H117 PolarHBondContact O-N 3.38Å; H117-G120 PolarHBondContact O-N 2.95Å; H117-Q121 PolarHBondContact CD2-NE2 2.98Å; H117-Q121 PolarHBondContact NE2-NE2 3.32Å; H117-Q121 WeakPolarHBondContact O-CG 3.41Å; H117-Q121 PolarHBondContact O-N 3.5Å; H117-Q121 VanDerWaalsContact O-N 3.1Å
118	L	89.2	Confident	81.7	Confident	4 Å²	4	57.1 Å²	57.1	2%	0.021	31%	0.311	C	S	.	.	H	α-helix	trans	-64.6	-43.8	179.7	-70.3	174.1	0	0	0	111.8	T114 L115 G120 Q121 H122 L403 K404 F407	T114-L118 HydrophobicContact CG2-CD1 4.11Å; T114-L118 HydrophobicContact CG2-CG 4.5Å; T114-L118 VanDerWaalsContact O-CG 3.31Å; T114-L118 WeakPolarHBondContact O-CG 3.35Å; T114-L118 PolarHBondContact O-N 2.87Å; L115-L118 PolarHBondContact O-N 3.06Å; L118-G120 VanDerWaalsContact C-N 3.32Å; L118-G120 PolarHBondContact O-N 2.98Å; L118-Q121 WeakPolarHBondContact O-CB 3.25Å; L118-Q121 PolarHBondContact O-N 2.61Å; L118-H122 PolarHBondContact O-CD2 3.33Å; L118-H122 VanDerWaalsContact O-CD2 3.32Å; L118-L403 HydrophobicContact CD1-CB 3.94Å; L118-K404 HydrophobicContact CD1-CB 4.46Å; L118-K404 HydrophobicContact CD2-CB 3.86Å; L118-K404 HydrophobicContact CD2-CG 3.96Å; L118-F407 HydrophobicContact CB-CD2 3.93Å; L118-F407 HydrophobicContact CB-CE2 4.2Å
119	L	89.4	Confident	82.3	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-64.8	-37.5	176.3	-70.5	173	0	0	0	111.9	A99 L101 L115 Q121 H122 G123 Y124 V126 L152 I154 F407 F411	A99-L119 HydrophobicContact CB-CD1 4.05Å; L101-L119 HydrophobicContact CD2-CD1 3.7Å; L101-L119 HydrophobicContact CG-CD1 4.32Å; L115-L119 WeakPolarHBondContact O-CB 3.4Å; L115-L119 VanDerWaalsContact O-CG 3.28Å; L115-L119 WeakPolarHBondContact O-CG 3.43Å; L115-L119 PolarHBondContact O-N 3.29Å; L119-Q121 VanDerWaalsContact C-N 3.32Å; L119-Q121 PolarHBondContact O-N 2.81Å; L119-H122 CarbonylContact O-C 3.55Å; L119-H122 PolarHBondContact O-N 2.82Å; L119-H122 VanDerWaalsContact O-N 3.08Å; L119-G123 PolarHBondContact O-N 2.72Å; L119-Y124 PolarHBondContact O-N 3.43Å; L119-V126 HydrophobicContact CB-CG2 3.68Å; L119-V126 HydrophobicContact CD1-CG1 4.49Å; L119-V126 HydrophobicContact CD1-CG2 4.18Å; L119-L152 HydrophobicContact CD2-CD2 3.55Å; L119-I154 HydrophobicContact CD1-CG1 4.37Å; L119-F407 HydrophobicContact CD2-CD2 4.09Å; L119-F407 HydrophobicContact CD2-CE2 3.84Å; L119-F407 HydrophobicContact CD2-CZ 4.17Å; L119-F407 HydrophobicContact CG-CE2 4.02Å; L119-F411 HydrophobicContact CD2-CE2 4.4Å
120	G	86.1	Confident	82.6	Confident	41 Å²	41	50.8 Å²	50.8	42%	0.423	29%	0.287	S	S	.	.	H	α-helix	trans	-60.6	-37.4	173.8	0	0	0	0	0	113.3	Q116 H117 L118 H122 G123	Q116-G120 PolarHBondContact O-N 2.98Å; H117-G120 PolarHBondContact O-N 2.95Å; L118-G120 VanDerWaalsContact C-N 3.32Å; L118-G120 PolarHBondContact O-N 2.98Å; G120-H122 PolarHBondContact O-N 2.76Å; G120-G123 PolarHBondContact O-N 2.97Å
121	Q	87.3	Confident	82.4	Confident	110 Å²	110	50.2 Å²	50.2	51%	0.514	28%	0.278	S	S	.	.	H	α-helix	trans	-61.4	-26.4	174.4	-70	179.1	-5.6	0	0	112.9	H117 L118 L119 G123	H117-Q121 PolarHBondContact CD2-NE2 2.98Å; H117-Q121 PolarHBondContact NE2-NE2 3.32Å; H117-Q121 WeakPolarHBondContact O-CG 3.41Å; H117-Q121 PolarHBondContact O-N 3.5Å; H117-Q121 VanDerWaalsContact O-N 3.1Å; L118-Q121 WeakPolarHBondContact O-CB 3.25Å; L118-Q121 PolarHBondContact O-N 2.61Å; L119-Q121 VanDerWaalsContact C-N 3.32Å; L119-Q121 PolarHBondContact O-N 2.81Å; Q121-G123 VanDerWaalsContact C-N 3.35Å
122	H	85.2	Confident	81.7	Confident	32 Å²	32	59.1 Å²	59.1	15%	0.148	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	11.4	175.9	-68.7	-75.2	0	0	0	113.5	R97 L118 L119 G120 Y124 F411	R97-H122 PolarHBondContact NH1-O 2.86Å; L118-H122 PolarHBondContact O-CD2 3.33Å; L118-H122 VanDerWaalsContact O-CD2 3.32Å; L119-H122 CarbonylContact O-C 3.55Å; L119-H122 PolarHBondContact O-N 2.82Å; L119-H122 VanDerWaalsContact O-N 3.08Å; G120-H122 PolarHBondContact O-N 2.76Å; H122-Y124 HydrophobicContact CB-CD2 4.06Å; H122-Y124 HydrophobicContact CB-CE2 4.27Å; H122-F411 HydrophobicContact CB-CB 4.44Å
123	G	83.3	Confident	80	Confident	47 Å²	47	67 Å²	67	49%	0.485	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.3	21.7	174.9	0	0	0	0	0	114.5	R97 L119 G120 Q121	R97-G123 WeakPolarHBondContact CB-O 3.29Å; L119-G123 PolarHBondContact O-N 2.72Å; G120-G123 PolarHBondContact O-N 2.97Å; Q121-G123 VanDerWaalsContact C-N 3.35Å
124	Y	87.7	Confident	78.1	Confident	35 Å²	35	64.7 Å²	64.7	14%	0.137	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-89.5	133.8	173.9	-73	-87.6	0	0	0	112	R97 A99 L119 H122 D151 L152 F411	R97-Y124 HydrophobicContact CB-CD1 4.38Å; R97-Y124 CarbonylContact O-C 3.53Å; R97-Y124 VanDerWaalsContact O-CA 3.3Å; R97-Y124 WeakPolarHBondContact O-CA 3.33Å; A99-Y124 HydrophobicContact CB-CD1 3.87Å; A99-Y124 HydrophobicContact CB-CG 4.07Å; L119-Y124 PolarHBondContact O-N 3.43Å; H122-Y124 HydrophobicContact CB-CD2 4.06Å; H122-Y124 HydrophobicContact CB-CE2 4.27Å; Y124-D151 HydrophobicContact CE1-CB 4.3Å; Y124-L152 HydrophobicContact CD1-CB 4.39Å; Y124-L152 HydrophobicContact CE1-CB 3.93Å; Y124-L152 HydrophobicContact CE1-CD2 4.41Å; Y124-F411 HydrophobicContact CE2-CD1 4.27Å; Y124-F411 HydrophobicContact CE2-CD2 4.4Å; Y124-F411 HydrophobicContact CE2-CG 4.18Å
125	S	86.1	Confident	75.9	Confident	60 Å²	60	67 Å²	67	42%	0.42	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	119.4	163.2	58.9	0	0	0	0	109.4	R97 R98 A99	R97-S125 PolarHBondContact O-N 3.29Å; R97-S125 PolarHBondContact O-OG 3.11Å; R98-S125 CarbonylContact C-O 3.6Å; R98-S125 WeakPolarHBondContact CA-O 3.46Å; R98-S125 WeakPolarHBondContact CA-OG 3.46Å; A99-S125 PolarHBondContact N-O 2.9Å
126	V	86.2	Confident	73.9	Confident	41 Å²	41	70.2 Å²	70.2	25%	0.248	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	125.6	-169.9	-172.3	0	0	0	0	111.5	A99 L101 Q116 L119	A99-V126 HydrophobicContact CB-CG2 4.46Å; A99-V126 CarbonylContact O-C 3.41Å; A99-V126 WeakPolarHBondContact O-CA 3.44Å; L101-V126 HydrophobicContact CD1-CG1 3.48Å; L101-V126 VanDerWaalsContact CD1-CG1 3.48Å; L101-V126 HydrophobicContact CG-CG1 3.59Å; Q116-V126 HydrophobicContact CG-CB 4.37Å; Q116-V126 HydrophobicContact CG-CG1 3.84Å; L119-V126 HydrophobicContact CB-CG2 3.68Å; L119-V126 HydrophobicContact CD1-CG1 4.49Å; L119-V126 HydrophobicContact CD1-CG2 4.18Å
127	V	84.6	Confident	72	Confident	50 Å²	50	69.9 Å²	69.9	30%	0.303	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	130.9	173.8	-177.2	0	0	0	0	108.9	R98 A99 I100 L101 L147	R98-V127 HydrophobicContact CG-CG2 4.34Å; A99-V127 PolarHBondContact O-N 2.68Å; I100-V127 CarbonylContact C-O 3.54Å; I100-V127 WeakPolarHBondContact CA-O 3.28Å; L101-V127 PolarHBondContact N-O 2.96Å; V127-L147 HydrophobicContact CG1-CD2 4.19Å
128	T	80.3	Confident	70.1	Confident	54 Å²	54	66.2 Å²	66.2	33%	0.331	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	127.2	179.6	-56.1	0	0	0	0	110.5	L101 R103 Q116	L101-T128 HydrophobicContact CB-CG2 4.5Å; L101-T128 WeakPolarHBondContact O-CA 3.29Å; R103-T128 HydrophobicContact CG-CG2 4.37Å; Q116-T128 PolarHBondContact NE2-OG1 3.47Å
129	V	77.1	Confident	68.2	Low	27 Å²	27	67.3 Å²	67.3	16%	0.164	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	129.9	179	-178.4	0	0	0	0	108.5	I100 L101 F102 R103	I100-V129 HydrophobicContact CG2-CB 4.45Å; I100-V129 HydrophobicContact CG2-CG2 3.87Å; L101-V129 PolarHBondContact O-N 3.18Å; F102-V129 WeakPolarHBondContact CA-O 2.95Å; F102-V129 HydrophobicContact CD2-CB 4.4Å; F102-V129 HydrophobicContact CD2-CG1 4.23Å; F102-V129 HydrophobicContact CE2-CG1 4.44Å; R103-V129 PolarHBondContact N-O 3.21Å
130	E	70.7	Confident	66.2	Low	92 Å²	92	72.5 Å²	72.5	43%	0.43	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	135.8	-177.3	-177.2	170.7	-153.1	0	0	111.4	R103 R132	R103-E130 HydrophobicContact CG-CB 4.16Å; R103-E130 HydrophobicContact CG-CG 4.28Å; R103-E130 IonicContact CZ-OE1 3.49Å; R103-E130 IonicContact CZ-OE2 3.69Å; R103-E130 IonicContact NE-OE1 2.63Å; R103-E130 IonicContact NE-OE2 3.11Å; R103-E130 IonicContact NH1-OE1 3.51Å; R103-E130 PolarHBondContact NH1-OE1 2.92Å; R103-E130 IonicContact NH2-OE1 2.63Å; R103-E130 PolarHBondContact NH2-OE1 3.23Å; R103-E130 IonicContact NH2-OE2 3.66Å; R103-E130 PolarHBondContact NH2-OE2 3.04Å; E130-R132 PolarHBondContact O-N 2.87Å
131	E	64.4	Low	64.4	Low	64 Å²	64	74.9 Å²	74.9	30%	0.299	44%	0.436	S	S	.	.			trans	-66.2	114.3	175.7	-171.8	180	-164.4	0	0	110.8	F102 R103 S104	F102-E131 HydrophobicContact CE1-CB 4.33Å; F102-E131 HydrophobicContact CZ-CB 4.05Å; F102-E131 HydrophobicContact CZ-CG 4.33Å; R103-E131 PolarHBondContact O-N 3.06Å; S104-E131 PolarHBondContact OG-OE2 2.78Å
132	R	56.3	Low	62.7	Low	213 Å²	213	70.5 Å²	70.5	80%	0.804	42%	0.417	S	S	*	.			trans	-85.6	126.7	173.1	-71.4	-175.2	179.5	175.4	1	110.3	E130 G134	E130-R132 PolarHBondContact O-N 2.87Å; R132-G134 PolarHBondContact O-N 3.09Å; R132-G134 VanDerWaalsContact O-N 3.1Å
133	L	41.1	Very low	61	Low	177 Å²	177	74.5 Å²	74.5	93%	0.927	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	111.9	172.5	-90.5	137	0	0	0	110.7
134	G	41.6	Very low	59.1	Low	80 Å²	80	79.5 Å²	79.5	83%	0.825	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	123.1	-8.4	162.8	0	0	0	0	0	118.2	R132	R132-G134 PolarHBondContact O-N 3.09Å; R132-G134 VanDerWaalsContact O-N 3.1Å
135	T	37.8	Very low	57.1	Low	89 Å²	89	80.2 Å²	80.2	55%	0.546	47%	0.468	S	S	.	.			trans	-128	111.8	179.1	43.5	0	0	0	0	111.2	L137	T135-L137 PolarHBondContact O-N 2.84Å
136	G	43.1	Very low	55.3	Low	77 Å²	77	84.9 Å²	84.9	79%	0.794	49%	0.488	S	S	*	.			trans	-72.9	70.7	178.6	0	0	0	0	0	112.7
137	L	46.4	Very low	53.7	Low	67 Å²	67	84.8 Å²	84.8	35%	0.351	49%	0.486	S	S	.	.			trans	-130.8	68.1	-172.1	-67.3	178.8	0	0	0	111.1	T135 E140	T135-L137 PolarHBondContact O-N 2.84Å; L137-E140 HydrophobicContact CB-CB 4.35Å; L137-E140 HydrophobicContact CD2-CB 3.99Å; L137-E140 HydrophobicContact CD2-CG 3.9Å; L137-E140 WeakPolarHBondContact CD2-OE2 3.43Å
138	G	48.3	Very low	52.3	Low	31 Å²	31	86.7 Å²	86.7	32%	0.32	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-13.7	-177.4	0	0	0	0	0	115.7
139	L	48.8	Very low	51.7	Low	26 Å²	26	86.3 Å²	86.3	14%	0.136	49%	0.494	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.4	-25	173.9	-118.9	88.5	0	0	0	114.2	L141 L142 D143 I167 H171	L139-L141 PolarHBondContact O-N 3.13Å; L139-L142 HydrophobicContact CG-CD1 4.46Å; L139-L142 WeakPolarHBondContact O-CA 3.28Å; L139-L142 WeakPolarHBondContact O-CB 3.46Å; L139-L142 PolarHBondContact O-N 3.34Å; L139-D143 PolarHBondContact O-N 3.48Å; L139-D143 VanDerWaalsContact O-N 3.14Å; L139-I167 HydrophobicContact CD1-CD1 3.5Å; L139-I167 VanDerWaalsContact CD1-CD1 3.5Å; L139-I167 HydrophobicContact CD1-CG1 3.63Å; L139-H171 HydrophobicContact CD1-CB 3.75Å; L139-H171 HydrophobicContact CD2-CB 4.08Å; L139-H171 HydrophobicContact CG-CB 4.41Å
140	E	48.7	Very low	51.9	Low	109 Å²	109	85.7 Å²	85.7	51%	0.509	49%	0.489	S	S	.	.	H	α-helix	trans	-65.8	-23.6	179.5	-64.6	-171.2	-179.9	0	0	112.5	L137 L142 D143 Q144	L137-E140 HydrophobicContact CB-CB 4.35Å; L137-E140 HydrophobicContact CD2-CB 3.99Å; L137-E140 HydrophobicContact CD2-CG 3.9Å; L137-E140 WeakPolarHBondContact CD2-OE2 3.43Å; E140-L142 VanDerWaalsContact C-N 3.33Å; E140-D143 PolarHBondContact O-N 2.85Å; E140-Q144 WeakPolarHBondContact O-CG 3.42Å; E140-Q144 PolarHBondContact O-N 3.49Å; E140-Q144 VanDerWaalsContact O-N 3.12Å
141	L	48	Very low	52.5	Low	91 Å²	91	81.6 Å²	81.6	48%	0.476	47%	0.47	S	S	.	.	H	α-helix	trans	-73.6	-21	170.7	-108.7	135	0	0	0	113.7	L139	L139-L141 PolarHBondContact O-N 3.13Å
142	L	51.8	Low	53.7	Low	19 Å²	19	78.5 Å²	78.5	10%	0.099	46%	0.455	C	S	.	.	H	α-helix	trans	-87.4	-23.9	173.6	-66.8	172	0	0	0	111.9	I100 L139 E140 N148	I100-L142 HydrophobicContact CD1-CD2 3.4Å; I100-L142 VanDerWaalsContact CD1-CD2 3.4Å; L139-L142 HydrophobicContact CG-CD1 4.46Å; L139-L142 WeakPolarHBondContact O-CA 3.28Å; L139-L142 WeakPolarHBondContact O-CB 3.46Å; L139-L142 PolarHBondContact O-N 3.34Å; E140-L142 VanDerWaalsContact C-N 3.33Å; L142-N148 PolarHBondContact O-OD1 3.39Å
143	D	48.1	Very low	55.1	Low	115 Å²	115	68.8 Å²	68.8	62%	0.615	42%	0.419	S	S	*	.	H	α-helix	trans	-85.9	-15.5	173.9	-79.1	-27	0	0	0	113.1	L139 E140	L139-D143 PolarHBondContact O-N 3.48Å; L139-D143 VanDerWaalsContact O-N 3.14Å; E140-D143 PolarHBondContact O-N 2.85Å
144	Q	44.3	Very low	57.4	Low	152 Å²	152	60.5 Å²	60.5	71%	0.71	38%	0.376	S	S	*	.	S	Bend	trans	-94.3	92	175.9	-77.7	-174	-1.8	0	0	112.6	E140	E140-Q144 WeakPolarHBondContact O-CG 3.42Å; E140-Q144 PolarHBondContact O-N 3.49Å; E140-Q144 VanDerWaalsContact O-N 3.12Å
145	G	45.9	Very low	59.3	Low	50 Å²	50	56.9 Å²	56.9	52%	0.515	34%	0.338	S	S	.	.	S	Bend	trans	84.5	130.3	162.9	0	0	0	0	0	116	L147	G145-L147 WeakPolarHBondContact O-CB 3.45Å; G145-L147 PolarHBondContact O-N 3.29Å
146	D	47	Very low	61.3	Low	158 Å²	158	54 Å²	54	85%	0.845	32%	0.319	S	S	*	.	S	Bend	trans	37.1	-0.2	170.3	-76.6	-9.2	0	0	0	121.2	R98	R98-D146 PolarHBondContact NH1-O 2.88Å
147	L	53	Low	62.4	Low	40 Å²	40	51.6 Å²	51.6	21%	0.209	29%	0.289	C	S	.	.			trans	-96.6	3	-179.5	-71.2	163.8	0	0	0	112.1	V127 G145 S149	V127-L147 HydrophobicContact CG1-CD2 4.19Å; G145-L147 WeakPolarHBondContact O-CB 3.45Å; G145-L147 PolarHBondContact O-N 3.29Å; L147-S149 PolarHBondContact O-N 2.91Å
148	N	54.8	Low	63	Low	89 Å²	89	49.9 Å²	49.9	48%	0.476	28%	0.283	S	S	.	.			trans	-61.9	-7.3	-177	-77.6	-17.4	0	0	0	115.6	L142	L142-N148 PolarHBondContact O-OD1 3.39Å
149	S	68.9	Low	63.4	Low	46 Å²	46	55.5 Å²	55.5	32%	0.322	30%	0.295	S	S	.	.			trans	-123.7	87.9	178.4	65.3	0	0	0	0	110.6	R98 L147	R98-S149 VanDerWaalsContact CD-O 3.31Å; R98-S149 WeakPolarHBondContact CD-O 3.32Å; L147-S149 PolarHBondContact O-N 2.91Å
150	W	81.7	Confident	63.4	Low	15 Å²	15	61.4 Å²	61.4	6%	0.057	32%	0.322	C	S	.	.			trans	-130.6	150.4	171.9	68.3	-95.3	0	0	0	110.9	I100 L153 L175 Q179	I100-W150 HydrophobicContact CD1-CB 3.62Å; I100-W150 HydrophobicContact CD1-CD2 4.16Å; I100-W150 HydrophobicContact CD1-CG 3.52Å; I100-W150 HydrophobicContact CG1-CB 3.9Å; I100-W150 HydrophobicContact CG1-CG 4.22Å; W150-L153 HydrophobicContact CE3-CB 4.1Å; W150-L153 HydrophobicContact CH2-CB 3.77Å; W150-L153 HydrophobicContact CH2-CD2 4.31Å; W150-L153 HydrophobicContact CZ3-CB 3.5Å; W150-L175 HydrophobicContact CH2-CD2 3.63Å; W150-L175 HydrophobicContact CZ2-CD2 3.84Å; W150-Q179 HydrophobicContact CD2-CG 4.38Å; W150-Q179 HydrophobicContact CE3-CB 4.47Å; W150-Q179 HydrophobicContact CE3-CG 4.14Å; W150-Q179 HydrophobicContact CH2-CB 3.83Å; W150-Q179 HydrophobicContact CH2-CG 4.03Å; W150-Q179 HydrophobicContact CZ2-CB 4.47Å; W150-Q179 HydrophobicContact CZ2-CG 4.26Å; W150-Q179 HydrophobicContact CZ3-CB 3.81Å; W150-Q179 HydrophobicContact CZ3-CG 3.95Å; W150-Q179 WeakPolarHBondContact O-CG 3.45Å; W150-Q179 PolarHBondContact O-NE2 2.89Å
151	D	83.4	Confident	63.2	Low	5 Å²	5	61.4 Å²	61.4	3%	0.027	34%	0.34	C	S	.	.	S	Bend	trans	-118.2	-29.3	-170.9	-55.4	-82.3	0	0	0	112.5	S94 S96 R97 R98 Y124 H178 K180	S94-D151 WeakPolarHBondContact CB-OD1 3.46Å; S94-D151 PolarHBondContact OG-OD1 3.28Å; S94-D151 PolarHBondContact OG-OD2 3.4Å; S94-D151 VanDerWaalsContact OG-OD2 3.05Å; S96-D151 PolarHBondContact OG-OD2 3.06Å; R97-D151 WeakPolarHBondContact CA-OD2 3.28Å; R97-D151 PolarHBondContact N-OD2 2.97Å; R98-D151 PolarHBondContact N-OD2 3.46Å; R98-D151 PolarHBondContact O-N 3.03Å; Y124-D151 HydrophobicContact CE1-CB 4.3Å; D151-H178 IonicContact OD1-CD2 3.64Å; D151-K180 PolarHBondContact O-N 2.86Å
152	L	88.2	Confident	63.3	Low	0 Å²	0	64.7 Å²	64.7	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	131.7	179.1	179.2	65	0	0	0	111.1	R98 A99 I100 L119 Y124 I154 K180 F359 F411	R98-L152 PolarHBondContact O-N 3.44Å; A99-L152 CarbonylContact C-O 3.51Å; A99-L152 VanDerWaalsContact CA-O 3.25Å; A99-L152 WeakPolarHBondContact CA-O 3.29Å; A99-L152 HydrophobicContact CB-CB 4.04Å; A99-L152 HydrophobicContact CB-CD2 4.14Å; A99-L152 HydrophobicContact CB-CG 4.38Å; I100-L152 PolarHBondContact N-O 3.27Å; L119-L152 HydrophobicContact CD2-CD2 3.55Å; Y124-L152 HydrophobicContact CD1-CB 4.39Å; Y124-L152 HydrophobicContact CE1-CB 3.93Å; Y124-L152 HydrophobicContact CE1-CD2 4.41Å; L152-I154 HydrophobicContact CD1-CD1 3.9Å; L152-I154 HydrophobicContact CD2-CD1 4.06Å; L152-I154 HydrophobicContact CD2-CG1 4.24Å; L152-I154 HydrophobicContact CG-CD1 3.97Å; L152-I154 HydrophobicContact CG-CG1 4.18Å; L152-K180 CarbonylContact C-O 2.78Å; L152-K180 WeakPolarHBondContact CA-O 3.43Å; L152-K180 HydrophobicContact CD1-CB 4.06Å; L152-K180 HydrophobicContact CD1-CG 4.44Å; L152-F359 HydrophobicContact CD1-CE1 3.96Å; L152-F359 HydrophobicContact CD1-CZ 4.29Å; L152-F411 HydrophobicContact CD1-CE1 4.21Å; L152-F411 HydrophobicContact CD1-CZ 3.78Å; L152-F411 HydrophobicContact CD2-CE1 4.22Å; L152-F411 HydrophobicContact CD2-CE2 3.97Å; L152-F411 HydrophobicContact CD2-CZ 3.51Å; L152-F411 HydrophobicContact CG-CZ 4.29Å
153	L	87	Confident	63.4	Low	8 Å²	8	65.4 Å²	65.4	4%	0.042	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	119.7	170.5	178.1	63.5	0	0	0	109.4	I100 F102 W150 K180 I181 N182	I100-L153 HydrophobicContact CB-CD1 3.82Å; I100-L153 HydrophobicContact CG2-CD1 3.73Å; I100-L153 WeakPolarHBondContact O-CA 3.43Å; F102-L153 HydrophobicContact CB-CD1 4.15Å; W150-L153 HydrophobicContact CE3-CB 4.1Å; W150-L153 HydrophobicContact CH2-CB 3.77Å; W150-L153 HydrophobicContact CH2-CD2 4.31Å; W150-L153 HydrophobicContact CZ3-CB 3.5Å; L153-K180 PolarHBondContact N-O 3.12Å; L153-I181 HydrophobicContact CB-CB 4.48Å; L153-I181 HydrophobicContact CB-CG1 4.19Å; L153-I181 HydrophobicContact CD2-CD1 3.77Å; L153-I181 HydrophobicContact CD2-CG1 4.19Å; L153-I181 HydrophobicContact CG-CD1 4.32Å; L153-I181 HydrophobicContact CG-CG1 4.22Å; L153-I181 WeakPolarHBondContact O-CA 3.27Å; L153-N182 PolarHBondContact O-N 2.85Å
154	I	87.9	Confident	63.8	Low	4 Å²	4	67.3 Å²	67.3	2%	0.021	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	109.4	171.8	-54.6	-61.6	0	0	0	108.1	I100 L101 F102 L119 L152 L156 N182 F359 F407	I100-I154 PolarHBondContact O-N 2.94Å; L101-I154 HydrophobicContact CD2-CB 3.63Å; L101-I154 HydrophobicContact CD2-CG1 3.97Å; L101-I154 HydrophobicContact CD2-CG2 4.05Å; F102-I154 PolarHBondContact N-O 3.24Å; L119-I154 HydrophobicContact CD1-CG1 4.37Å; L152-I154 HydrophobicContact CD1-CD1 3.9Å; L152-I154 HydrophobicContact CD2-CD1 4.06Å; L152-I154 HydrophobicContact CD2-CG1 4.24Å; L152-I154 HydrophobicContact CG-CD1 3.97Å; L152-I154 HydrophobicContact CG-CG1 4.18Å; I154-L156 HydrophobicContact CG2-CD2 4.03Å; I154-L156 HydrophobicContact CG2-CG 4.29Å; I154-N182 WeakPolarHBondContact CA-OD1 3.4Å; I154-N182 HydrophobicContact CD1-CB 4.09Å; I154-F359 HydrophobicContact CD1-CZ 3.89Å; I154-F407 HydrophobicContact CD1-CE1 4.47Å
155	C	82.9	Confident	64.6	Low	4 Å²	4	64 Å²	64	3%	0.027	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	124.2	171.9	168.4	0	0	0	0	110.2	C166 N182 V183	C155-C166 VanDerWaalsContact CA-SG 3.53Å; C155-C166 HydrophobicContact CB-CB 3.54Å; C155-C166 WeakPolarHBondContact CB-SG 3.21Å; C155-C166 WeakPolarHBondContact SG-CB 3.48Å; C155-C166 CovalentContact SG-SG 2.01Å; C155-C166 PolarHBondContact SG-SG 3.05Å; C155-N182 WeakPolarHBondContact CB-OD1 3.44Å; C155-N182 PolarHBondContact N-OD1 2.94Å; C155-N182 PolarHBondContact O-ND2 3.08Å; C155-V183 HydrophobicContact CB-CG2 3.68Å
156	L	78.3	Confident	65.7	Low	28 Å²	28	62 Å²	62	15%	0.147	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	87.3	172.9	-57.8	173.9	0	0	0	108.7	F102 H107 L112 L115 I154	F102-L156 WeakPolarHBondContact O-CB 3.4Å; F102-L156 PolarHBondContact O-N 3.41Å; H107-L156 PolarHBondContact NE2-O 2.69Å; L112-L156 HydrophobicContact CD2-CD1 3.76Å; L115-L156 HydrophobicContact CD1-CD1 3.68Å; L115-L156 HydrophobicContact CD1-CD2 3.91Å; L115-L156 HydrophobicContact CD1-CG 4.38Å; I154-L156 HydrophobicContact CG2-CD2 4.03Å; I154-L156 HydrophobicContact CG2-CG 4.29Å
157	P	66.7	Low	66.8	Low	27 Å²	27	54.9 Å²	54.9	18%	0.175	30%	0.304	C	S	.	.			trans	-72.3	165.3	-176.9	25.8	-27.1	0	0	0	112.2	H107 H382	H107-P157 PolarHBondContact NE2-O 2.91Å; P157-H382 WeakPolarHBondContact CD-NE2 3.42Å; P157-H382 WeakPolarHBondContact CG-CE1 3.44Å; P157-H382 WeakPolarHBondContact CG-NE2 3.17Å
158	S	59.5	Low	67.5	Low	31 Å²	31	54.3 Å²	54.3	22%	0.217	31%	0.306	C	S	.	.			trans	-59.5	149.5	176.1	-173.6	0	0	0	0	111.4	E160	S158-E160 PolarHBondContact O-N 3.06Å
159	R	55.6	Low	68	Low	149 Å²	149	54.3 Å²	54.3	56%	0.562	30%	0.299	S	S	*	.	S	Bend	trans	-71.8	-5.5	177.3	-68.8	-174.8	178.1	-175.5	1.2	113.8	E111 R386	E111-R159 IonicContact OE1-NH2 3.71Å; E111-R159 PolarHBondContact OE1-NH2 3.37Å; E111-R159 IonicContact OE2-NH2 2.76Å; R159-R386 VanDerWaalsContact NH2-NH1 3.19Å
160	E	50.8	Low	67.8	Low	150 Å²	150	57.8 Å²	57.8	70%	0.701	31%	0.31	S	S	*	.	S	Bend	trans	-84.1	139	176.8	-67.4	175	175.5	0	0	111.1	S158 D162 G163	S158-E160 PolarHBondContact O-N 3.06Å; E160-D162 PolarHBondContact O-N 2.94Å; E160-G163 PolarHBondContact O-N 3.41Å
161	A	43.2	Very low	67.2	Low	108 Å²	108	58.8 Å²	58.8	89%	0.893	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-9.5	-171.9	0	0	0	0	0	115.3
162	D	50.2	Low	66.7	Low	160 Å²	160	59 Å²	59	86%	0.856	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.5	20.6	-178	-71.7	-38.8	0	0	0	113.7	E160	E160-D162 PolarHBondContact O-N 2.94Å
163	G	53.3	Low	65.6	Low	35 Å²	35	60.6 Å²	60.6	36%	0.361	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-59.4	139.4	177.9	0	0	0	0	0	113.5	E160	E160-G163 PolarHBondContact O-N 3.41Å
164	K	57.2	Low	64.8	Low	155 Å²	155	64.8 Å²	64.8	67%	0.674	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-65	139.1	173.1	-70.3	-178.2	-179.4	177.8	0	110.1
165	P	61.6	Low	64.1	Low	82 Å²	82	65.5 Å²	65.5	53%	0.532	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-65.9	141.6	177.8	28	-34.2	0	0	0	110.6	I167	P165-I167 PolarHBondContact O-N 2.91Å
166	C	67.8	Low	63.8	Low	9 Å²	9	71.6 Å²	71.6	6%	0.061	37%	0.368	C	S	.	.	S	Bend	trans	-60.8	-27.6	-179.1	-55.1	0	0	0	0	113.2	F102 C155	F102-C166 HydrophobicContact CD1-CB 3.62Å; F102-C166 WeakPolarHBondContact CD1-SG 3.18Å; F102-C166 HydrophobicContact CE1-CB 3.94Å; F102-C166 HydrophobicContact CG-CB 4.27Å; C155-C166 VanDerWaalsContact CA-SG 3.53Å; C155-C166 HydrophobicContact CB-CB 3.54Å; C155-C166 WeakPolarHBondContact CB-SG 3.21Å; C155-C166 WeakPolarHBondContact SG-CB 3.48Å; C155-C166 CovalentContact SG-SG 2.01Å; C155-C166 PolarHBondContact SG-SG 3.05Å
167	I	70.5	Confident	63.8	Low	7 Å²	7	70.9 Å²	70.9	4%	0.036	37%	0.365	C	S	.	.	S	Bend	trans	-130.2	133.2	174.9	-170.7	165.1	0	0	0	108.8	L139 P165 H171 I172 L175 I181	L139-I167 HydrophobicContact CD1-CD1 3.5Å; L139-I167 VanDerWaalsContact CD1-CD1 3.5Å; L139-I167 HydrophobicContact CD1-CG1 3.63Å; P165-I167 PolarHBondContact O-N 2.91Å; I167-H171 HydrophobicContact CD1-CB 4.17Å; I167-H171 HydrophobicContact CG1-CB 3.87Å; I167-I172 HydrophobicContact CD1-CG1 4.05Å; I167-I172 HydrophobicContact CG1-CG1 4.18Å; I167-I172 HydrophobicContact CG2-CD1 3.89Å; I167-I172 HydrophobicContact CG2-CG1 3.75Å; I167-L175 HydrophobicContact CD1-CD2 4.38Å; I167-I181 HydrophobicContact CB-CD1 4.42Å; I167-I181 HydrophobicContact CG2-CD1 3.66Å
168	A	68.1	Low	64.4	Low	28 Å²	28	71.6 Å²	71.6	23%	0.231	37%	0.366	C	S	.	.			trans	-66.6	142.1	173.7	0	0	0	0	0	109.6	E170 H171	A168-E170 HydrophobicContact CB-CG 3.95Å; A168-E170 WeakPolarHBondContact CB-OE1 3.44Å; A168-E170 WeakPolarHBondContact CB-OE2 3.38Å; A168-E170 PolarHBondContact O-N 3.43Å; A168-H171 WeakPolarHBondContact O-CB 3.42Å; A168-H171 PolarHBondContact O-N 3.37Å
169	R	65.9	Low	65.5	Low	90 Å²	90	70.9 Å²	70.9	34%	0.34	36%	0.359	S	S	.	.	H	α-helix	trans	-58.8	-36.9	-172.4	-70	-177.2	174.4	180	-2.4	111.8	H171 I172 P185	R169-H171 PolarHBondContact O-N 2.99Å; R169-I172 PolarHBondContact O-N 3.41Å; R169-P185 HydrophobicContact CG-CB 4.23Å
170	E	64.6	Low	67	Low	118 Å²	118	65.3 Å²	65.3	55%	0.551	34%	0.339	S	S	*	.	H	α-helix	trans	-60.3	-23.4	175.3	56.1	-92.9	-144.5	0	0	113.8	A168 C173	A168-E170 HydrophobicContact CB-CG 3.95Å; A168-E170 WeakPolarHBondContact CB-OE1 3.44Å; A168-E170 WeakPolarHBondContact CB-OE2 3.38Å; A168-E170 PolarHBondContact O-N 3.43Å; E170-C173 PolarHBondContact O-SG 3.17Å
171	H	69.5	Low	68.7	Low	37 Å²	37	58.1 Å²	58.1	17%	0.171	31%	0.305	C	S	.	.	H	α-helix	trans	-93.4	-15.5	-176.8	-64	171.5	0	0	0	113.9	L139 I167 A168 R169 C173 R174	L139-H171 HydrophobicContact CD1-CB 3.75Å; L139-H171 HydrophobicContact CD2-CB 4.08Å; L139-H171 HydrophobicContact CG-CB 4.41Å; I167-H171 HydrophobicContact CD1-CB 4.17Å; I167-H171 HydrophobicContact CG1-CB 3.87Å; A168-H171 WeakPolarHBondContact O-CB 3.42Å; A168-H171 PolarHBondContact O-N 3.37Å; R169-H171 PolarHBondContact O-N 2.99Å; H171-C173 PolarHBondContact O-N 3.29Å; H171-R174 PolarHBondContact CD2-NH1 2.58Å; H171-R174 PolarHBondContact NE2-NH1 3.37Å; H171-R174 WeakPolarHBondContact O-CB 3.29Å; H171-R174 PolarHBondContact O-N 2.72Å
172	I	71.7	Confident	70.9	Confident	10 Å²	10	54.1 Å²	54.1	5%	0.051	27%	0.269	C	S	.	.	H	α-helix	trans	-63.7	-34	177.6	-67.1	173	0	0	0	110.9	I167 R169 R174 L175 P185 C355	I167-I172 HydrophobicContact CD1-CG1 4.05Å; I167-I172 HydrophobicContact CG1-CG1 4.18Å; I167-I172 HydrophobicContact CG2-CD1 3.89Å; I167-I172 HydrophobicContact CG2-CG1 3.75Å; R169-I172 PolarHBondContact O-N 3.41Å; I172-R174 PolarHBondContact O-N 3.22Å; I172-L175 HydrophobicContact CG2-CD1 4.21Å; I172-L175 WeakPolarHBondContact O-CB 3.49Å; I172-L175 VanDerWaalsContact O-CG 3.27Å; I172-L175 WeakPolarHBondContact O-CG 3.38Å; I172-L175 PolarHBondContact O-N 2.85Å; I172-P185 HydrophobicContact CD1-CB 3.71Å; I172-P185 HydrophobicContact CD1-CG 3.45Å; I172-P185 VanDerWaalsContact CD1-CG 3.45Å; I172-C355 HydrophobicContact CG2-CB 3.93Å
173	C	65.7	Low	72.5	Confident	32 Å²	32	47.2 Å²	47.2	22%	0.216	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-17.1	175.3	-19.6	0	0	0	0	113.4	C61 E170 H171 H353	C61-C173 HydrophobicContact CB-CB 4.36Å; E170-C173 PolarHBondContact O-SG 3.17Å; H171-C173 PolarHBondContact O-N 3.29Å; C173-H353 HydrophobicContact CB-CB 3.53Å; C173-H353 WeakPolarHBondContact SG-CB 3.26Å; C173-H353 PolarHBondContact SG-CD2 2.95Å
174	R	69.6	Low	73.9	Confident	96 Å²	96	45.6 Å²	45.6	36%	0.362	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-5.6	-178.5	-58.8	-179.5	174.4	171.7	-1.5	113	Q57 H171 I172	Q57-R174 PolarHBondContact O-NH2 3.42Å; Q57-R174 VanDerWaalsContact O-NH2 3.08Å; H171-R174 PolarHBondContact CD2-NH1 2.58Å; H171-R174 PolarHBondContact NE2-NH1 3.37Å; H171-R174 WeakPolarHBondContact O-CB 3.29Å; H171-R174 PolarHBondContact O-N 2.72Å; I172-R174 PolarHBondContact O-N 3.22Å
175	L	74.3	Confident	74.7	Confident	20 Å²	20	38.7 Å²	38.7	11%	0.105	19%	0.187	C	C	.	.			trans	-60.1	138.9	178.4	-66.2	176.1	0	0	0	110.7	W150 I167 I172 Q179 I181	W150-L175 HydrophobicContact CH2-CD2 3.63Å; W150-L175 HydrophobicContact CZ2-CD2 3.84Å; I167-L175 HydrophobicContact CD1-CD2 4.38Å; I172-L175 HydrophobicContact CG2-CD1 4.21Å; I172-L175 WeakPolarHBondContact O-CB 3.49Å; I172-L175 VanDerWaalsContact O-CG 3.27Å; I172-L175 WeakPolarHBondContact O-CG 3.38Å; I172-L175 PolarHBondContact O-N 2.85Å; L175-Q179 HydrophobicContact CB-CB 4.43Å; L175-Q179 HydrophobicContact CD2-CB 4.42Å; L175-I181 HydrophobicContact CD1-CG2 4.07Å
176	R	76.6	Confident	75.4	Confident	131 Å²	131	35.3 Å²	35.3	49%	0.494	16%	0.164	S	C	.	.			trans	-69.9	156.5	171.5	-60.6	-174.6	-178.9	-174.5	2.5	109.5	H178 Q179	R176-H178 VanDerWaalsContact CD-CE1 3.45Å; R176-H178 WeakPolarHBondContact CD-CE1 3.29Å; R176-H178 PolarHBondContact O-N 2.86Å; R176-H178 VanDerWaalsContact O-N 3.16Å; R176-Q179 HydrophobicContact CB-CG 4.04Å; R176-Q179 WeakPolarHBondContact O-CB 3.37Å; R176-Q179 PolarHBondContact O-N 3.12Å
177	L	77.4	Confident	75.9	Confident	14 Å²	14	34.9 Å²	34.9	7%	0.073	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-29.4	-174.7	-65.3	178.1	0	0	0	114.1	H91 F92 R356 Q357	H91-L177 HydrophobicContact CB-CD1 4.12Å; H91-L177 WeakPolarHBondContact O-CB 3.14Å; F92-L177 HydrophobicContact CD1-CB 3.81Å; F92-L177 WeakPolarHBondContact CD1-O 3.35Å; F92-L177 HydrophobicContact CE1-CB 3.65Å; F92-L177 HydrophobicContact CE1-CD1 4.49Å; F92-L177 HydrophobicContact CE1-CD2 4.06Å; F92-L177 HydrophobicContact CE1-CG 4.26Å; F92-L177 HydrophobicContact CE2-CB 4.35Å; F92-L177 HydrophobicContact CE2-CD1 4.08Å; F92-L177 HydrophobicContact CG-CB 4.25Å; F92-L177 HydrophobicContact CZ-CB 3.94Å; F92-L177 HydrophobicContact CZ-CD1 3.93Å; F92-L177 HydrophobicContact CZ-CD2 4.01Å; F92-L177 HydrophobicContact CZ-CG 4.17Å; L177-R356 VanDerWaalsContact CD2-NH1 3.29Å; L177-Q357 PolarHBondContact O-NE2 2.87Å; L177-Q357 VanDerWaalsContact O-NE2 3.12Å; L177-Q357 PolarHBondContact O-OE1 3.29Å
178	H	79.1	Confident	76.1	Confident	41 Å²	41	36.1 Å²	36.1	19%	0.19	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-5.5	176.2	61.7	-94.4	0	0	0	114.9	D151 R176 Q357	D151-H178 IonicContact OD1-CD2 3.64Å; R176-H178 VanDerWaalsContact CD-CE1 3.45Å; R176-H178 WeakPolarHBondContact CD-CE1 3.29Å; R176-H178 PolarHBondContact O-N 2.86Å; R176-H178 VanDerWaalsContact O-N 3.16Å; H178-Q357 PolarHBondContact O-OE1 3.02Å
179	Q	83.1	Confident	76.5	Confident	16 Å²	16	36.6 Å²	36.6	8%	0.075	17%	0.167	C	C	.	.			trans	-87.9	122.5	-174.3	-74.8	178.6	-31.8	0	0	111.3	W150 L175 R176 Q357	W150-Q179 HydrophobicContact CD2-CG 4.38Å; W150-Q179 HydrophobicContact CE3-CB 4.47Å; W150-Q179 HydrophobicContact CE3-CG 4.14Å; W150-Q179 HydrophobicContact CH2-CB 3.83Å; W150-Q179 HydrophobicContact CH2-CG 4.03Å; W150-Q179 HydrophobicContact CZ2-CB 4.47Å; W150-Q179 HydrophobicContact CZ2-CG 4.26Å; W150-Q179 HydrophobicContact CZ3-CB 3.81Å; W150-Q179 HydrophobicContact CZ3-CG 3.95Å; W150-Q179 WeakPolarHBondContact O-CG 3.45Å; W150-Q179 PolarHBondContact O-NE2 2.89Å; L175-Q179 HydrophobicContact CB-CB 4.43Å; L175-Q179 HydrophobicContact CD2-CB 4.42Å; R176-Q179 HydrophobicContact CB-CG 4.04Å; R176-Q179 WeakPolarHBondContact O-CB 3.37Å; R176-Q179 PolarHBondContact O-N 3.12Å; Q179-Q357 WeakPolarHBondContact O-CB 3.49Å
180	K	87.3	Confident	77	Confident	32 Å²	32	33 Å²	33	14%	0.139	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	141.7	-179.3	-159.1	176.4	-169.4	168	0	112.3	D151 L152 L153 Q357 F359 F411	D151-K180 PolarHBondContact O-N 2.86Å; L152-K180 CarbonylContact C-O 2.78Å; L152-K180 WeakPolarHBondContact CA-O 3.43Å; L152-K180 HydrophobicContact CD1-CB 4.06Å; L152-K180 HydrophobicContact CD1-CG 4.44Å; L153-K180 PolarHBondContact N-O 3.12Å; K180-Q357 CarbonylContact C-O 3.54Å; K180-Q357 WeakPolarHBondContact CA-O 3.43Å; K180-Q357 HydrophobicContact CB-CB 4.27Å; K180-Q357 HydrophobicContact CG-CB 4.16Å; K180-Q357 VanDerWaalsContact CG-O 3.23Å; K180-Q357 WeakPolarHBondContact CG-O 3.29Å; K180-F359 HydrophobicContact CD-CD1 3.9Å; K180-F359 HydrophobicContact CD-CE1 3.97Å; K180-F359 VanDerWaalsContact CE-CD1 3.43Å; K180-F359 HydrophobicContact CG-CD1 3.79Å; K180-F359 HydrophobicContact CG-CE1 3.87Å; K180-F411 HydrophobicContact CD-CE1 4.01Å
181	I	87.3	Confident	77.9	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	148.1	177.9	-169.1	178.7	0	0	0	112.2	L153 I167 L175 V183 Q357 C358 F359	L153-I181 HydrophobicContact CB-CB 4.48Å; L153-I181 HydrophobicContact CB-CG1 4.19Å; L153-I181 HydrophobicContact CD2-CD1 3.77Å; L153-I181 HydrophobicContact CD2-CG1 4.19Å; L153-I181 HydrophobicContact CG-CD1 4.32Å; L153-I181 HydrophobicContact CG-CG1 4.22Å; L153-I181 WeakPolarHBondContact O-CA 3.27Å; I167-I181 HydrophobicContact CB-CD1 4.42Å; I167-I181 HydrophobicContact CG2-CD1 3.66Å; L175-I181 HydrophobicContact CD1-CG2 4.07Å; I181-V183 VanDerWaalsContact C-N 3.33Å; I181-V183 PolarHBondContact O-N 2.88Å; I181-Q357 PolarHBondContact N-O 3.02Å; I181-C358 HydrophobicContact CG2-CB 4.34Å; I181-C358 WeakPolarHBondContact CG2-SG 3.47Å; I181-C358 CarbonylContact O-C 3.47Å; I181-C358 VanDerWaalsContact O-CA 3.3Å; I181-C358 WeakPolarHBondContact O-CA 3.46Å; I181-F359 VanDerWaalsContact O-CD1 3.28Å; I181-F359 WeakPolarHBondContact O-CD1 3.3Å; I181-F359 PolarHBondContact O-N 3.4Å
182	N	88.6	Confident	78.5	Confident	23 Å²	23	26.6 Å²	26.6	12%	0.123	13%	0.126	C	C	.	.	S	Bend	trans	-87.9	26	-178.4	75.2	-42.3	0	0	0	115.3	L153 I154 C155 F359	L153-N182 PolarHBondContact O-N 2.85Å; I154-N182 WeakPolarHBondContact CA-OD1 3.4Å; I154-N182 HydrophobicContact CD1-CB 4.09Å; C155-N182 WeakPolarHBondContact CB-OD1 3.44Å; C155-N182 PolarHBondContact N-OD1 2.94Å; C155-N182 PolarHBondContact O-ND2 3.08Å; N182-F359 CarbonylContact C-O 3.33Å; N182-F359 WeakPolarHBondContact CA-O 3.32Å; N182-F359 HydrophobicContact CB-CD2 4.2Å; N182-F359 HydrophobicContact CB-CE1 4.08Å; N182-F359 HydrophobicContact CB-CE2 3.59Å; N182-F359 HydrophobicContact CB-CZ 3.54Å; N182-F359 VanDerWaalsContact O-O 3.12Å
183	V	83.1	Confident	79	Confident	15 Å²	15	32.3 Å²	32.3	9%	0.091	15%	0.147	C	C	.	.			trans	-134.9	127.3	-176.6	179.6	0	0	0	0	110.6	C155 I181 C358 F359	C155-V183 HydrophobicContact CB-CG2 3.68Å; I181-V183 VanDerWaalsContact C-N 3.33Å; I181-V183 PolarHBondContact O-N 2.88Å; V183-C358 PolarHBondContact O-SG 3Å; V183-F359 PolarHBondContact N-O 2.76Å
184	L	82.8	Confident	79.7	Confident	2 Å²	2	35.9 Å²	35.9	1%	0.01	16%	0.159	C	C	.	.			trans	-104.2	102.3	170.5	-71	160.5	0	0	0	109.5	E186 I187 V278 C358 Q360	L184-E186 PolarHBondContact O-N 3.23Å; L184-E186 VanDerWaalsContact O-N 3.12Å; L184-I187 HydrophobicContact CB-CB 4.36Å; L184-I187 HydrophobicContact CB-CD1 3.91Å; L184-I187 HydrophobicContact CB-CG1 3.96Å; L184-I187 HydrophobicContact CD1-CD1 3.52Å; L184-I187 HydrophobicContact CD1-CG1 4.42Å; L184-I187 HydrophobicContact CG-CD1 4.34Å; L184-I187 PolarHBondContact O-N 3.38Å; L184-V278 HydrophobicContact CD1-CB 3.82Å; L184-V278 HydrophobicContact CD1-CG1 3.59Å; L184-C358 HydrophobicContact CD2-CB 3.29Å; L184-C358 HydrophobicContact CG-CB 3.89Å; L184-Q360 HydrophobicContact CB-CB 4.43Å; L184-Q360 VanDerWaalsContact CB-OE1 3.31Å; L184-Q360 HydrophobicContact CD1-CB 3.88Å; L184-Q360 HydrophobicContact CG-CB 4.18Å; L184-Q360 PolarHBondContact O-OE1 3.22Å
185	P	74.8	Confident	80.3	Confident	10 Å²	10	37.3 Å²	37.3	7%	0.065	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-22.9	-173.3	29	-39.2	0	0	0	113.6	R169 I172 P189	R169-P185 HydrophobicContact CG-CB 4.23Å; I172-P185 HydrophobicContact CD1-CB 3.71Å; I172-P185 HydrophobicContact CD1-CG 3.45Å; I172-P185 VanDerWaalsContact CD1-CG 3.45Å; P185-P189 VanDerWaalsContact O-CD 3.27Å; P185-P189 WeakPolarHBondContact O-CD 3.12Å
186	E	75.4	Confident	80.6	Confident	11 Å²	11	36.5 Å²	36.5	5%	0.051	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-27.9	-178.6	-54.2	92.4	158.1	0	0	112.8	L184 L281 F352	L184-E186 PolarHBondContact O-N 3.23Å; L184-E186 VanDerWaalsContact O-N 3.12Å; E186-L281 HydrophobicContact CB-CD2 3.5Å; E186-L281 HydrophobicContact CG-CD2 4.35Å; E186-F352 HydrophobicContact CG-CB 4.45Å
187	I	79	Confident	80.8	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-42.4	-176.2	-66.4	-173.3	0	0	0	111.5	L184 Q190 L191 V278 L281 L362	L184-I187 HydrophobicContact CB-CB 4.36Å; L184-I187 HydrophobicContact CB-CD1 3.91Å; L184-I187 HydrophobicContact CB-CG1 3.96Å; L184-I187 HydrophobicContact CD1-CD1 3.52Å; L184-I187 HydrophobicContact CD1-CG1 4.42Å; L184-I187 HydrophobicContact CG-CD1 4.34Å; L184-I187 PolarHBondContact O-N 3.38Å; I187-Q190 PolarHBondContact O-N 2.81Å; I187-L191 HydrophobicContact CG2-CB 3.93Å; I187-L191 HydrophobicContact CG2-CD2 3.95Å; I187-L191 PolarHBondContact O-N 3.32Å; I187-V278 HydrophobicContact CD1-CB 4.25Å; I187-V278 HydrophobicContact CD1-CG1 4.04Å; I187-V278 HydrophobicContact CD1-CG2 4.25Å; I187-L281 HydrophobicContact CD1-CD1 4.25Å; I187-L281 HydrophobicContact CG1-CD1 4.14Å; I187-L281 HydrophobicContact CG1-CD2 3.98Å; I187-L362 HydrophobicContact CD1-CD1 4.26Å; I187-L362 HydrophobicContact CG2-CD1 4.03Å; I187-L362 HydrophobicContact CG2-CD2 4.23Å
188	Q	75.3	Confident	81.1	Confident	32 Å²	32	30.2 Å²	30.2	15%	0.15	14%	0.143	C	C	.	.	I	π-helix	trans	-53.8	-52.5	-172.1	-175.6	-165.8	32.9	0	0	114.5	Q190 C192 R193 E381	Q188-Q190 PolarHBondContact O-N 3.43Å; Q188-C192 WeakPolarHBondContact O-CB 3.37Å; Q188-C192 PolarHBondContact O-N 3.47Å; Q188-R193 PolarHBondContact O-N 3.27Å; Q188-E381 VanDerWaalsContact CG-CD 3.48Å; Q188-E381 HydrophobicContact CG-CG 4.26Å; Q188-E381 WeakPolarHBondContact CG-OE1 3.43Å; Q188-E381 WeakPolarHBondContact CG-OE2 3.29Å; Q188-E381 VanDerWaalsContact NE2-CD 3.28Å; Q188-E381 PolarHBondContact NE2-OE1 3.06Å; Q188-E381 VanDerWaalsContact NE2-OE1 3.13Å; Q188-E381 PolarHBondContact NE2-OE2 2.98Å
189	P	74.7	Confident	81.1	Confident	38 Å²	38	33.4 Å²	33.4	25%	0.247	16%	0.158	C	C	.	.	I	π-helix	trans	-71.1	-19.7	-176.1	27.6	-32.9	0	0	0	113.5	P185	P185-P189 VanDerWaalsContact O-CD 3.27Å; P185-P189 WeakPolarHBondContact O-CD 3.12Å
190	Q	76.7	Confident	80.8	Confident	16 Å²	16	32.7 Å²	32.7	8%	0.075	16%	0.155	C	C	.	.	I	π-helix	trans	-98.7	-50.4	-172.7	-56.6	-172.8	-18.7	0	0	111.7	I187 Q188 G196 L197 M200 A338 F341	I187-Q190 PolarHBondContact O-N 2.81Å; Q188-Q190 PolarHBondContact O-N 3.43Å; Q190-G196 CarbonylContact O-C 3.54Å; Q190-G196 VanDerWaalsContact O-CA 3.23Å; Q190-G196 WeakPolarHBondContact O-CA 3.46Å; Q190-L197 PolarHBondContact O-N 2.95Å; Q190-L197 VanDerWaalsContact O-N 3.09Å; Q190-M200 HydrophobicContact CB-SD 4.35Å; Q190-A338 PolarHBondContact OE1-O 3.36Å; Q190-F341 HydrophobicContact CG-CD1 4Å; Q190-F341 PolarHBondContact NE2-O 2.96Å
191	L	83.2	Confident	80.5	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.16	C	C	.	.	I	π-helix	trans	-100	-37	-170.3	-167.2	71.6	0	0	0	112.3	I187 L197 M200 L334 L335 L362 F364 V379	I187-L191 HydrophobicContact CG2-CB 3.93Å; I187-L191 HydrophobicContact CG2-CD2 3.95Å; I187-L191 PolarHBondContact O-N 3.32Å; L191-L197 HydrophobicContact CD1-CD2 3.87Å; L191-L197 WeakPolarHBondContact O-CG 3.32Å; L191-M200 HydrophobicContact CD1-CE 4.43Å; L191-L334 HydrophobicContact CD1-CB 3.9Å; L191-L335 HydrophobicContact CD2-CD2 3.89Å; L191-L362 HydrophobicContact CD2-CD1 4.17Å; L191-F364 HydrophobicContact CD2-CE1 4.36Å; L191-F364 HydrophobicContact CD2-CZ 3.8Å; L191-V379 HydrophobicContact CD1-CG2 4.24Å; L191-V379 HydrophobicContact CD2-CG1 3.92Å; L191-V379 HydrophobicContact CD2-CG2 4.47Å; L191-V379 HydrophobicContact CG-CB 4.07Å; L191-V379 HydrophobicContact CG-CG1 4Å; L191-V379 HydrophobicContact CG-CG2 3.94Å
192	C	83.3	Confident	80	Confident	20 Å²	20	42.6 Å²	42.6	14%	0.135	20%	0.195	C	C	.	.	I	π-helix	trans	-87.2	-13.2	-173.6	-55.9	0	0	0	0	114	Q188 V379 E381	Q188-C192 WeakPolarHBondContact O-CB 3.37Å; Q188-C192 PolarHBondContact O-N 3.47Å; C192-V379 VanDerWaalsContact CA-O 3.3Å; C192-V379 WeakPolarHBondContact CA-O 3.4Å; C192-E381 HydrophobicContact CB-CB 4.16Å
193	R	82.3	Confident	79.2	Confident	129 Å²	129	49.7 Å²	49.7	49%	0.487	22%	0.22	S	C	.	.	S	Bend	trans	-101.5	139.5	176.1	-68.6	-172.4	-176.6	-171.3	-3.5	110.9	Q188 E195 G196 L197	Q188-R193 PolarHBondContact O-N 3.27Å; R193-E195 VanDerWaalsContact C-N 3.26Å; R193-E195 PolarHBondContact O-N 2.88Å; R193-G196 PolarHBondContact O-N 3.37Å; R193-G196 VanDerWaalsContact O-N 3.13Å; R193-L197 PolarHBondContact O-N 3.26Å; R193-L197 VanDerWaalsContact O-N 3.08Å
194	K	81	Confident	78.7	Confident	108 Å²	108	50 Å²	50	47%	0.47	22%	0.22	S	C	.	.	H	α-helix	trans	-60.5	-39.5	178.7	-66.8	-173.5	178.4	-179.3	0	111.3	G196 L197 C198 V215	K194-G196 VanDerWaalsContact C-N 3.3Å; K194-G196 PolarHBondContact O-N 3.42Å; K194-L197 PolarHBondContact O-N 3.17Å; K194-C198 WeakPolarHBondContact O-CB 3.43Å; K194-C198 PolarHBondContact O-N 3.23Å; K194-C198 PolarHBondContact O-SG 3.03Å; K194-V215 HydrophobicContact CB-CG1 4.17Å; K194-V215 HydrophobicContact CG-CG1 4.09Å
195	E	81	Confident	78.1	Confident	126 Å²	126	53.7 Å²	53.7	59%	0.589	24%	0.244	S	C	*	.	H	α-helix	trans	-61.8	-40.3	178	-57.2	71.8	-153.2	0	0	111.2	R193 C198 Q199	R193-E195 VanDerWaalsContact C-N 3.26Å; R193-E195 PolarHBondContact O-N 2.88Å; E195-C198 PolarHBondContact O-N 2.95Å; E195-Q199 VanDerWaalsContact O-CG 3.28Å; E195-Q199 WeakPolarHBondContact O-CG 3.16Å; E195-Q199 PolarHBondContact O-N 2.9Å
196	G	80.4	Confident	77.7	Confident	3 Å²	3	61.3 Å²	61.3	3%	0.031	28%	0.279	C	S	.	.	H	α-helix	trans	-65.1	-49.1	177.3	0	0	0	0	0	112.2	Q190 R193 K194 C198 Q199 M200	Q190-G196 CarbonylContact O-C 3.54Å; Q190-G196 VanDerWaalsContact O-CA 3.23Å; Q190-G196 WeakPolarHBondContact O-CA 3.46Å; R193-G196 PolarHBondContact O-N 3.37Å; R193-G196 VanDerWaalsContact O-N 3.13Å; K194-G196 VanDerWaalsContact C-N 3.3Å; K194-G196 PolarHBondContact O-N 3.42Å; G196-C198 VanDerWaalsContact C-N 3.27Å; G196-C198 PolarHBondContact O-N 2.75Å; G196-Q199 WeakPolarHBondContact O-CB 3.33Å; G196-Q199 PolarHBondContact O-N 3.4Å; G196-Q199 VanDerWaalsContact O-N 3.12Å; G196-M200 WeakPolarHBondContact O-CG 3.28Å; G196-M200 PolarHBondContact O-N 3.33Å
197	L	81.8	Confident	77.3	Confident	2 Å²	2	61.7 Å²	61.7	1%	0.01	28%	0.281	C	S	.	.	H	α-helix	trans	-57.2	-42.8	176.2	-71.9	172.1	0	0	0	111.3	Q190 L191 R193 K194 M200 I201 V215	Q190-L197 PolarHBondContact O-N 2.95Å; Q190-L197 VanDerWaalsContact O-N 3.09Å; L191-L197 HydrophobicContact CD1-CD2 3.87Å; L191-L197 WeakPolarHBondContact O-CG 3.32Å; R193-L197 PolarHBondContact O-N 3.26Å; R193-L197 VanDerWaalsContact O-N 3.08Å; K194-L197 PolarHBondContact O-N 3.17Å; L197-M200 PolarHBondContact O-N 3.39Å; L197-I201 VanDerWaalsContact O-CG1 3.31Å; L197-I201 WeakPolarHBondContact O-CG1 3.43Å; L197-I201 PolarHBondContact O-N 3.06Å; L197-I201 VanDerWaalsContact O-N 3.11Å; L197-V215 HydrophobicContact CD1-CG1 4.37Å
198	C	82.1	Confident	76.9	Confident	11 Å²	11	72.4 Å²	72.4	7%	0.074	32%	0.321	C	S	.	.	H	α-helix	trans	-68.5	-35	178.2	-64.7	0	0	0	0	113.3	K194 E195 G196 R202 C216	K194-C198 WeakPolarHBondContact O-CB 3.43Å; K194-C198 PolarHBondContact O-N 3.23Å; K194-C198 PolarHBondContact O-SG 3.03Å; E195-C198 PolarHBondContact O-N 2.95Å; G196-C198 VanDerWaalsContact C-N 3.27Å; G196-C198 PolarHBondContact O-N 2.75Å; C198-R202 VanDerWaalsContact O-CG 3.3Å; C198-R202 WeakPolarHBondContact O-CG 3.4Å; C198-R202 PolarHBondContact O-N 2.76Å; C198-R202 VanDerWaalsContact O-N 3.15Å; C198-C216 WeakPolarHBondContact CA-SG 3.45Å; C198-C216 HydrophobicContact CB-CB 3.99Å; C198-C216 WeakPolarHBondContact CB-SG 3.4Å; C198-C216 WeakPolarHBondContact SG-CA 3.45Å; C198-C216 WeakPolarHBondContact SG-CB 3.42Å; C198-C216 CovalentContact SG-SG 2.03Å; C198-C216 PolarHBondContact SG-SG 3.32Å
199	Q	79.5	Confident	77.2	Confident	108 Å²	108	71.7 Å²	71.7	51%	0.505	32%	0.318	S	S	.	.	H	α-helix	trans	-65.2	-40.6	172.6	-75.9	175	9.4	0	0	111.6	E195 G196 R202 R203 F341	E195-Q199 VanDerWaalsContact O-CG 3.28Å; E195-Q199 WeakPolarHBondContact O-CG 3.16Å; E195-Q199 PolarHBondContact O-N 2.9Å; G196-Q199 WeakPolarHBondContact O-CB 3.33Å; G196-Q199 PolarHBondContact O-N 3.4Å; G196-Q199 VanDerWaalsContact O-N 3.12Å; Q199-R202 PolarHBondContact O-N 3.16Å; Q199-R203 WeakPolarHBondContact O-CB 3.35Å; Q199-R203 PolarHBondContact O-N 3Å; Q199-F341 HydrophobicContact CB-CZ 4.31Å
200	M	78.1	Confident	77.4	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-61.3	-47.2	176.8	-69.1	166.6	72.9	0	0	111.5	Q190 L191 G196 L197 R202 R203 F204 L209 L334 V337 A338 F341	Q190-M200 HydrophobicContact CB-SD 4.35Å; L191-M200 HydrophobicContact CD1-CE 4.43Å; G196-M200 WeakPolarHBondContact O-CG 3.28Å; G196-M200 PolarHBondContact O-N 3.33Å; L197-M200 PolarHBondContact O-N 3.39Å; M200-R202 VanDerWaalsContact C-N 3.33Å; M200-R202 PolarHBondContact O-N 3.47Å; M200-R203 PolarHBondContact O-N 2.77Å; M200-F204 WeakPolarHBondContact O-CD2 3.32Å; M200-F204 PolarHBondContact O-N 3.34Å; M200-L209 HydrophobicContact CB-CD1 4.24Å; M200-L334 HydrophobicContact CE-CD2 4.33Å; M200-L334 WeakPolarHBondContact CE-O 3.36Å; M200-V337 HydrophobicContact CB-CG1 4.04Å; M200-V337 HydrophobicContact CE-CB 3.41Å; M200-V337 VanDerWaalsContact CE-CB 3.41Å; M200-V337 HydrophobicContact CE-CG1 3.29Å; M200-V337 HydrophobicContact CG-CG1 3.91Å; M200-V337 HydrophobicContact SD-CG1 4.4Å; M200-A338 HydrophobicContact CE-CB 4.45Å; M200-F341 HydrophobicContact CG-CD1 4.44Å
201	I	79.4	Confident	77.7	Confident	48 Å²	48	71.2 Å²	71.2	25%	0.246	32%	0.316	C	S	.	.	H	α-helix	trans	-60.3	-43.1	177.6	-60.4	159.5	0	0	0	111.4	L197 F204 L209 V211	L197-I201 VanDerWaalsContact O-CG1 3.31Å; L197-I201 WeakPolarHBondContact O-CG1 3.43Å; L197-I201 PolarHBondContact O-N 3.06Å; L197-I201 VanDerWaalsContact O-N 3.11Å; I201-F204 CarbonylContact O-C 3.54Å; I201-L209 HydrophobicContact CG1-CB 4.47Å; I201-V211 HydrophobicContact CD1-CB 3.48Å; I201-V211 VanDerWaalsContact CD1-CB 3.48Å; I201-V211 HydrophobicContact CD1-CG1 3.61Å; I201-V211 HydrophobicContact CD1-CG2 4.1Å; I201-V211 HydrophobicContact CG1-CB 4.04Å; I201-V211 HydrophobicContact CG1-CG2 4.2Å
202	R	77.4	Confident	77.5	Confident	193 Å²	193	71.7 Å²	71.7	73%	0.728	32%	0.32	S	S	*	.	H	α-helix	trans	-67.8	-35.5	179.8	-73.2	175.9	-175.3	175.5	4.3	112.6	C198 Q199 M200	C198-R202 VanDerWaalsContact O-CG 3.3Å; C198-R202 WeakPolarHBondContact O-CG 3.4Å; C198-R202 PolarHBondContact O-N 2.76Å; C198-R202 VanDerWaalsContact O-N 3.15Å; Q199-R202 PolarHBondContact O-N 3.16Å; M200-R202 VanDerWaalsContact C-N 3.33Å; M200-R202 PolarHBondContact O-N 3.47Å
203	R	72.6	Confident	76.8	Confident	172 Å²	172	74.2 Å²	74.2	65%	0.649	34%	0.336	S	S	*	.	H	α-helix	trans	-77.8	-30.8	-177.6	-171.5	62.7	174.4	131.3	0.4	112.1	Q199 M200 P205 F341	Q199-R203 WeakPolarHBondContact O-CB 3.35Å; Q199-R203 PolarHBondContact O-N 3Å; M200-R203 PolarHBondContact O-N 2.77Å; R203-P205 VanDerWaalsContact C-CD 3.42Å; R203-P205 WeakPolarHBondContact O-CD 3.46Å; R203-F341 HydrophobicContact CB-CE2 4.31Å; R203-F341 HydrophobicContact CG-CE2 4.16Å
204	F	72.8	Confident	76	Confident	20 Å²	20	70.6 Å²	70.6	9%	0.088	33%	0.331	C	S	.	.			trans	-125.5	64.7	-176.8	-53.9	-83	0	0	0	113	M200 I201 E206 L207 V337 F341 M488	M200-F204 WeakPolarHBondContact O-CD2 3.32Å; M200-F204 PolarHBondContact O-N 3.34Å; I201-F204 CarbonylContact O-C 3.54Å; F204-E206 VanDerWaalsContact C-N 3.3Å; F204-E206 PolarHBondContact O-N 2.85Å; F204-L207 HydrophobicContact CB-CB 4.28Å; F204-L207 HydrophobicContact CB-CD1 3.45Å; F204-L207 VanDerWaalsContact CB-CD1 3.45Å; F204-L207 HydrophobicContact CB-CG 3.9Å; F204-L207 HydrophobicContact CD1-CD1 3.99Å; F204-L207 HydrophobicContact CG-CD1 3.84Å; F204-L207 PolarHBondContact O-N 3.42Å; F204-V337 HydrophobicContact CD2-CG1 3.59Å; F204-V337 HydrophobicContact CE2-CG1 3.54Å; F204-V337 HydrophobicContact CZ-CG1 4.42Å; F204-F341 AromaticContact CE2-CD2 3.86Å; F204-F341 HydrophobicContact CE2-CD2 3.86Å; F204-F341 HydrophobicContact CZ-CD2 4.39Å; F204-M488 HydrophobicContact CD1-CE 4.09Å; F204-M488 HydrophobicContact CE1-CE 3.93Å; F204-M488 HydrophobicContact CE1-SD 4.46Å
205	P	69.4	Low	75.6	Confident	81 Å²	81	66.2 Å²	66.2	53%	0.526	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-66.2	-31.9	-178.8	27.4	-34.4	0	0	0	112.9	R203 L207 R208	R203-P205 VanDerWaalsContact C-CD 3.42Å; R203-P205 WeakPolarHBondContact O-CD 3.46Å; P205-L207 PolarHBondContact O-N 3.15Å; P205-R208 PolarHBondContact O-N 2.96Å
206	E	67.1	Low	75.4	Confident	170 Å²	170	62.2 Å²	62.2	79%	0.794	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-65	-27.1	-179.9	-54.4	-56	157.5	0	0	112.7	F204 R208	F204-E206 VanDerWaalsContact C-N 3.3Å; F204-E206 PolarHBondContact O-N 2.85Å; E206-R208 PolarHBondContact O-N 3.29Å
207	L	66.3	Low	74.6	Confident	18 Å²	18	67.6 Å²	67.6	9%	0.094	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-75.9	-8.8	-178.8	-64.5	179.9	0	0	0	113.9	F204 P205 L209 V337 F485	F204-L207 HydrophobicContact CB-CB 4.28Å; F204-L207 HydrophobicContact CB-CD1 3.45Å; F204-L207 VanDerWaalsContact CB-CD1 3.45Å; F204-L207 HydrophobicContact CB-CG 3.9Å; F204-L207 HydrophobicContact CD1-CD1 3.99Å; F204-L207 HydrophobicContact CG-CD1 3.84Å; F204-L207 PolarHBondContact O-N 3.42Å; P205-L207 PolarHBondContact O-N 3.15Å; L207-L209 VanDerWaalsContact C-N 3.26Å; L207-L209 HydrophobicContact CB-CD2 4.01Å; L207-L209 HydrophobicContact CB-CG 4.18Å; L207-L209 HydrophobicContact CD1-CD2 4.4Å; L207-L209 PolarHBondContact O-N 3.44Å; L207-V337 HydrophobicContact CD1-CG2 3.79Å; L207-F485 HydrophobicContact CD1-CD1 4.24Å; L207-F485 HydrophobicContact CD1-CE1 3.22Å; L207-F485 HydrophobicContact CD1-CE2 4.48Å; L207-F485 HydrophobicContact CD1-CZ 3.38Å; L207-F485 HydrophobicContact CD2-CE1 4.1Å; L207-F485 HydrophobicContact CD2-CE2 4.04Å; L207-F485 HydrophobicContact CD2-CZ 3.67Å; L207-F485 HydrophobicContact CG-CE1 4.31Å; L207-F485 HydrophobicContact CG-CZ 4.15Å
208	R	71.5	Confident	73.2	Confident	225 Å²	225	74.3 Å²	74.3	85%	0.849	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.5	52.8	-177.7	-61.1	-176.7	-179.8	177.1	1.3	112	P205 E206	P205-R208 PolarHBondContact O-N 2.96Å; E206-R208 PolarHBondContact O-N 3.29Å
209	L	79.7	Confident	71.4	Confident	17 Å²	17	82.6 Å²	82.6	9%	0.089	40%	0.399	C	S	.	.			trans	-56.9	129.9	-177.2	-63.4	177.6	0	0	0	110.2	M200 I201 L207 V211 K333 L334 V337	M200-L209 HydrophobicContact CB-CD1 4.24Å; I201-L209 HydrophobicContact CG1-CB 4.47Å; L207-L209 VanDerWaalsContact C-N 3.26Å; L207-L209 HydrophobicContact CB-CD2 4.01Å; L207-L209 HydrophobicContact CB-CG 4.18Å; L207-L209 HydrophobicContact CD1-CD2 4.4Å; L207-L209 PolarHBondContact O-N 3.44Å; L209-V211 HydrophobicContact CB-CG2 4.41Å; L209-V211 PolarHBondContact O-N 2.99Å; L209-K333 HydrophobicContact CD2-CB 4.24Å; L209-L334 HydrophobicContact CB-CD2 4.43Å; L209-L334 HydrophobicContact CD1-CD2 4.24Å; L209-L334 HydrophobicContact CD2-CD2 4.38Å; L209-V337 HydrophobicContact CD1-CG2 4.17Å; L209-V337 HydrophobicContact CD2-CG2 3.92Å
210	P	80.1	Confident	69.4	Low	31 Å²	31	80.9 Å²	80.9	20%	0.201	41%	0.411	C	S	.	.			trans	-80.6	61.1	-173.9	33	-35.1	0	0	0	110.5	A330 P374 V375 V376	P210-A330 HydrophobicContact CB-CB 4.32Å; P210-A330 HydrophobicContact CG-CB 3.43Å; P210-A330 VanDerWaalsContact CG-CB 3.43Å; P210-P374 WeakPolarHBondContact CB-O 3.2Å; P210-V375 CarbonylContact O-C 3.53Å; P210-V375 WeakPolarHBondContact O-CA 3.32Å; P210-V376 PolarHBondContact O-N 2.58Å
211	V	82.3	Confident	67.4	Low	13 Å²	13	87.6 Å²	87.6	8%	0.079	44%	0.444	C	S	.	.	B	Isolated β-bridge	trans	-110.7	137	177.3	-177.6	0	0	0	0	109	I201 L209 V215 L334 V376	I201-V211 HydrophobicContact CD1-CB 3.48Å; I201-V211 VanDerWaalsContact CD1-CB 3.48Å; I201-V211 HydrophobicContact CD1-CG1 3.61Å; I201-V211 HydrophobicContact CD1-CG2 4.1Å; I201-V211 HydrophobicContact CG1-CB 4.04Å; I201-V211 HydrophobicContact CG1-CG2 4.2Å; L209-V211 HydrophobicContact CB-CG2 4.41Å; L209-V211 PolarHBondContact O-N 2.99Å; V211-V215 HydrophobicContact CG1-CB 4.32Å; V211-V215 HydrophobicContact CG1-CG2 4.21Å; V211-L334 HydrophobicContact CG2-CD1 4.25Å; V211-L334 HydrophobicContact CG2-CD2 3.8Å; V211-V376 WeakPolarHBondContact CA-O 3.3Å
212	S	78.6	Confident	65.4	Low	11 Å²	11	93.2 Å²	93.2	8%	0.077	47%	0.469	C	S	.	.			trans	-64	131	-177.3	176.6	0	0	0	0	111	S214 V215 V375 V376	S212-S214 PolarHBondContact O-N 3.16Å; S212-S214 VanDerWaalsContact O-N 3.1Å; S212-S214 PolarHBondContact OG-N 2.91Å; S212-S214 PolarHBondContact OG-OG 2.57Å; S212-V215 VanDerWaalsContact O-CB 3.31Å; S212-V215 WeakPolarHBondContact O-CB 3.31Å; S212-V215 WeakPolarHBondContact O-CG2 3.48Å; S212-V215 PolarHBondContact O-N 2.85Å; S212-V375 VanDerWaalsContact CA-CG1 3.46Å; S212-V375 VanDerWaalsContact N-CG1 3.25Å; S212-V376 PolarHBondContact N-O 2.84Å
213	P	69.5	Low	63.3	Low	72 Å²	72	89 Å²	89	47%	0.468	47%	0.469	S	S	.	.	G	3₁₀ helix	trans	-56.5	-27.2	174.3	-24.8	33.8	0	0	0	113.2	V215 C216	P213-V215 PolarHBondContact O-N 2.93Å; P213-C216 PolarHBondContact O-N 2.69Å; P213-C216 VanDerWaalsContact O-N 3.15Å
214	S	65.7	Low	61.3	Low	54 Å²	54	89 Å²	89	38%	0.378	48%	0.477	S	S	.	.	G	3₁₀ helix	trans	-65.3	-20.3	177.7	64.3	0	0	0	0	113.9	S212 C216 L217	S212-S214 PolarHBondContact O-N 3.16Å; S212-S214 VanDerWaalsContact O-N 3.1Å; S212-S214 PolarHBondContact OG-N 2.91Å; S212-S214 PolarHBondContact OG-OG 2.57Å; S214-C216 PolarHBondContact O-N 3.33Å; S214-L217 PolarHBondContact O-N 2.95Å
215	V	73.3	Confident	59.4	Low	16 Å²	16	94.7 Å²	94.7	10%	0.097	51%	0.507	C	S	.	.	G	3₁₀ helix	trans	-65.6	-27.9	175	-179.6	0	0	0	0	111.3	K194 L197 V211 S212 P213 L377	K194-V215 HydrophobicContact CB-CG1 4.17Å; K194-V215 HydrophobicContact CG-CG1 4.09Å; L197-V215 HydrophobicContact CD1-CG1 4.37Å; V211-V215 HydrophobicContact CG1-CB 4.32Å; V211-V215 HydrophobicContact CG1-CG2 4.21Å; S212-V215 VanDerWaalsContact O-CB 3.31Å; S212-V215 WeakPolarHBondContact O-CB 3.31Å; S212-V215 WeakPolarHBondContact O-CG2 3.48Å; S212-V215 PolarHBondContact O-N 2.85Å; P213-V215 PolarHBondContact O-N 2.93Å; V215-L377 WeakPolarHBondContact CG2-O 3.26Å
216	C	75.9	Confident	57.5	Low	41 Å²	41	96.2 Å²	96.2	28%	0.277	52%	0.52	S	S	.	.	G	3₁₀ helix	trans	-102.1	9	-175.8	-55.5	0	0	0	0	114.3	C198 P213 S214	C198-C216 WeakPolarHBondContact CA-SG 3.45Å; C198-C216 HydrophobicContact CB-CB 3.99Å; C198-C216 WeakPolarHBondContact CB-SG 3.4Å; C198-C216 WeakPolarHBondContact SG-CA 3.45Å; C198-C216 WeakPolarHBondContact SG-CB 3.42Å; C198-C216 CovalentContact SG-SG 2.03Å; C198-C216 PolarHBondContact SG-SG 3.32Å; P213-C216 PolarHBondContact O-N 2.69Å; P213-C216 VanDerWaalsContact O-N 3.15Å; S214-C216 PolarHBondContact O-N 3.33Å
217	L	64.5	Low	55.7	Low	117 Å²	117	92.6 Å²	92.6	61%	0.613	52%	0.519	S	S	*	.			trans	-88.8	123.6	176.3	-68	174.8	0	0	0	110.5	S214	S214-L217 PolarHBondContact O-N 2.95Å
218	D	52.6	Low	53.9	Low	143 Å²	143	97 Å²	97	77%	0.765	55%	0.551	S	S	*	*			trans	-74.9	132.9	175.5	-73.1	-35.5	0	0	0	111.2	G220 M221	D218-G220 PolarHBondContact O-N 3.28Å; D218-M221 PolarHBondContact O-N 3.11Å
219	Q	43.1	Very low	51.8	Low	185 Å²	185	91.2 Å²	91.2	86%	0.864	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-11.1	-178.7	-78.3	179.5	-22.3	0	0	114.8
220	G	38.5	Very low	49.5	Very low	72 Å²	72	98.4 Å²	98.4	74%	0.742	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	-15.7	-178.6	0	0	0	0	0	116.3	D218	D218-G220 PolarHBondContact O-N 3.28Å
221	M	36	Very low	47.1	Very low	140 Å²	140	104.3 Å²	104.3	69%	0.69	61%	0.607	S	S	*	*	S	Bend	trans	-97.2	-4.6	-171.9	-76	-168.3	78.6	0	0	115.6	D218 S223	D218-M221 PolarHBondContact O-N 3.11Å; M221-S223 PolarHBondContact O-N 3.43Å
222	Q	37.1	Very low	44.6	Very low	166 Å²	166	109 Å²	109	78%	0.776	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	-19	-178.8	-114	168.1	-10.3	0	0	113.7
223	S	31.8	Very low	42.1	Very low	105 Å²	105	118.5 Å²	118.5	73%	0.734	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	-14.1	-175.7	174.2	0	0	0	0	115.3	M221	M221-S223 PolarHBondContact O-N 3.43Å
224	Q	32.7	Very low	40.3	Very low	173 Å²	173	119 Å²	119	81%	0.808	70%	0.699	S	S	*	*	S	Bend	trans	-110.8	-6.5	-171.5	-71.5	-161.7	-5.8	0	0	115.4
225	L	32.6	Very low	38.4	Very low	138 Å²	138	121.5 Å²	121.5	72%	0.723	72%	0.723	S	S	*	*	S	Bend	trans	-94.4	-6.3	-171.3	-78	156.4	0	0	0	114.7	A227	L225-A227 PolarHBondContact O-N 3.46Å
226	S	29.6	Very low	36.1	Very low	114 Å²	114	130 Å²	130	80%	0.797	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.2	1.1	-179.1	-10.3	0	0	0	0	115
227	A	29.3	Very low	33.8	Very low	94 Å²	94	134.3 Å²	134.3	78%	0.777	79%	0.786	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.8	12	-165.8	0	0	0	0	0	116.7	L225	L225-A227 PolarHBondContact O-N 3.46Å
228	S	27.1	Very low	31.9	Very low	110 Å²	110	137.9 Å²	137.9	77%	0.769	80%	0.799	S	S	*	*			trans	-146	94.7	177.7	-170.3	0	0	0	0	113.2
229	S	28.5	Very low	30.6	Very low	104 Å²	104	137.1 Å²	137.1	73%	0.727	80%	0.799	S	S	*	*			trans	-116.6	60.6	178.3	61.6	0	0	0	0	111.9
230	H	31.3	Very low	29.8	Very low	168 Å²	168	140.6 Å²	140.6	78%	0.778	81%	0.805	S	S	*	*			trans	-152.9	139.4	163.9	-76.2	-64.6	0	0	0	113.3
231	L	29.2	Very low	29	Very low	154 Å²	154	146.5 Å²	146.5	81%	0.806	81%	0.81	S	S	*	*			trans	74.4	138.5	173.5	-67	116.8	0	0	0	116.5
232	S	28.9	Very low	28.8	Very low	113 Å²	113	144.9 Å²	144.9	79%	0.79	81%	0.81	S	S	*	*			cis	-171.7	169	15	33.6	0	0	0	0	111.5
233	K	27.4	Very low	28.3	Very low	210 Å²	210	148.3 Å²	148.3	91%	0.913	82%	0.816	S	S	*	*			trans	-58.5	146.4	-175.6	-66.2	168.6	172.4	176	0	117.6
234	G	31.6	Very low	27.9	Very low	83 Å²	83	150.2 Å²	150.2	86%	0.856	82%	0.818	S	S	*	*			trans	48.6	117.6	136	0	0	0	0	0	122
235	A	25.2	Very low	28	Very low	106 Å²	106	145.7 Å²	145.7	88%	0.876	82%	0.818	S	S	*	*			trans	-148.1	140.1	156.7	0	0	0	0	0	112
236	K	24.7	Very low	27.6	Very low	195 Å²	195	148.1 Å²	148.1	85%	0.848	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-76.6	155.1	-178.4	-67	178.5	176.8	179.7	0	112.2
237	P	27.6	Very low	27.9	Very low	131 Å²	131	148.4 Å²	148.4	85%	0.851	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-80.6	130.6	178.2	31.3	-31.2	0	0	0	112.1
238	H	25.1	Very low	27.7	Very low	192 Å²	192	153.4 Å²	153.4	89%	0.889	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-85.9	137.8	171.3	-92.6	-55.8	0	0	0	111.4
239	V	25.6	Very low	27.6	Very low	127 Å²	127	157.1 Å²	157.1	77%	0.77	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-75.4	134.1	168.2	174.5	0	0	0	0	109.3
240	W	26.1	Very low	27.8	Very low	258 Å²	258	160.2 Å²	160.2	98%	0.977	84%	0.844	S	S	*	*			trans	-128.7	136.6	166.3	-109.7	8.5	0	0	0	112.5
241	K	22.1	Very low	27.4	Very low	195 Å²	195	159.2 Å²	159.2	85%	0.848	85%	0.845	S	S	*	*			trans	-92.6	159.8	178.8	-83.6	-172.2	177.1	-175.2	0	110.7
242	P	30.6	Very low	27.6	Very low	107 Å²	107	161 Å²	161	70%	0.695	85%	0.849	S	S	*	*			trans	-86.6	137.2	-173.8	33.5	-31.3	0	0	0	112.3
243	W	26.4	Very low	27.3	Very low	237 Å²	237	161.8 Å²	161.8	90%	0.898	85%	0.849	S	S	*	*				176.6	161.5	121.8	-101.6	-34.6	0	0	0	116.5
244	D	24.7	Very low	27.4	Very low	145 Å²	145	158 Å²	158	78%	0.775	84%	0.844	S	S	*	*			trans	86.6	115.9	153.3	-65.1	-22.4	0	0	0	122.1
245	G	34.8	Very low	27.2	Very low	79 Å²	79	159.9 Å²	159.9	81%	0.814	84%	0.839	S	S	*	*			trans	-73.6	127.3	174.7	0	0	0	0	0	112.3
246	Q	24.7	Very low	27.4	Very low	188 Å²	188	160 Å²	160	88%	0.879	83%	0.83	S	S	*	*			trans	-151	119.2	148.7	-123.3	174.2	12.4	0	0	110.2	K248	Q246-K248 PolarHBondContact O-N 3.45Å
247	S	34.8	Very low	27.7	Very low	120 Å²	120	154.9 Å²	154.9	84%	0.839	82%	0.815	S	S	*	*			trans	-59.8	114.3	171.7	152.1	0	0	0	0	110.8
248	K	25.5	Very low	27.8	Very low	199 Å²	199	152.6 Å²	152.6	87%	0.865	80%	0.801	S	S	*	*			trans	-139	114	155	-89.3	-172.8	178.9	174.1	0	111.5	Q246	Q246-K248 PolarHBondContact O-N 3.45Å
249	Q	25.6	Very low	28	Very low	189 Å²	189	153 Å²	153	88%	0.883	79%	0.794	S	S	*	*			trans	21.7	112.4	148.2	-122	166.5	-3.1	0	0	118.6	N251	Q249-N251 PolarHBondContact O-N 3.04Å
250	L	31.9	Very low	28.3	Very low	169 Å²	169	154.2 Å²	154.2	89%	0.885	79%	0.792	S	S	*	*			trans	-40.1	106.2	166	-153.8	82.3	0	0	0	112.9
251	N	22.9	Very low	28.6	Very low	147 Å²	147	143.7 Å²	143.7	79%	0.786	76%	0.759	S	S	*	*			trans	-124.2	131	149.2	-88.6	-25.3	0	0	0	107.1	Q249 T253	Q249-N251 PolarHBondContact O-N 3.04Å; N251-T253 PolarHBondContact O-N 3.01Å; N251-T253 PolarHBondContact O-OG1 3.07Å
252	Q	33.2	Very low	29.2	Very low	190 Å²	190	139.3 Å²	139.3	89%	0.888	74%	0.744	S	S	*	*			trans	-57.2	96.7	-175.2	-70.2	167.4	-20.8	0	0	111.2
253	T	22.7	Very low	29.2	Very low	131 Å²	131	141 Å²	141	80%	0.804	75%	0.746	S	S	*	*			trans	-102.1	96	162.8	-10.7	0	0	0	0	107.6	N251 V255	N251-T253 PolarHBondContact O-N 3.01Å; N251-T253 PolarHBondContact O-OG1 3.07Å; T253-V255 PolarHBondContact O-N 3.32Å
254	T	29.3	Very low	29.7	Very low	129 Å²	129	137.9 Å²	137.9	79%	0.791	73%	0.734	S	S	*	*			trans	-60.8	99.5	174.4	-44.4	0	0	0	0	109	P256	T254-P256 WeakPolarHBondContact O-CD 3.49Å
255	V	27.1	Very low	30.2	Very low	124 Å²	124	133.6 Å²	133.6	75%	0.752	72%	0.719	S	S	*	*			trans	-70	120.5	164.5	178.3	0	0	0	0	106.3	T253 V257	T253-V255 PolarHBondContact O-N 3.32Å; V255-V257 PolarHBondContact O-N 3.36Å; V255-V257 VanDerWaalsContact O-N 3.09Å
256	P	29.6	Very low	30.4	Very low	107 Å²	107	138.8 Å²	138.8	70%	0.695	72%	0.722	S	S	*	*			trans	-68	115.7	178.8	21.9	-20.8	0	0	0	107.7	T254	T254-P256 WeakPolarHBondContact O-CD 3.49Å
257	V	30.6	Very low	31.7	Very low	88 Å²	88	134.7 Å²	134.7	53%	0.533	70%	0.703	S	S	.	*			trans	-52.2	127.1	163.6	177	0	0	0	0	106.5	V255 R259 A261	V255-V257 PolarHBondContact O-N 3.36Å; V255-V257 VanDerWaalsContact O-N 3.09Å; V257-R259 PolarHBondContact O-N 3.13Å; V257-A261 HydrophobicContact CG1-CB 3.98Å
258	P	30.8	Very low	32.5	Very low	84 Å²	84	131.5 Å²	131.5	55%	0.545	68%	0.676	S	S	.	*			trans	-51.5	128.2	-179.8	-25.7	33	0	0	0	109.8	E260 A261	P258-E260 PolarHBondContact O-N 3.44Å; P258-A261 PolarHBondContact O-N 3.42Å
259	R	28.3	Very low	34.2	Very low	200 Å²	200	124.6 Å²	124.6	76%	0.755	65%	0.653	S	S	*	*	G	3₁₀ helix	trans	-54.1	-17.6	-179.3	-74	-179.9	174.8	-179.7	-2.8	113.1	V257 A261 I262	V257-R259 PolarHBondContact O-N 3.13Å; R259-A261 VanDerWaalsContact C-N 3.26Å; R259-A261 PolarHBondContact O-N 3.5Å; R259-I262 PolarHBondContact O-N 3Å
260	E	31.7	Very low	36.8	Very low	153 Å²	153	116.9 Å²	116.9	72%	0.715	62%	0.619	S	S	*	*	G	3₁₀ helix	trans	-66.4	-18.9	173.1	-70.5	158.5	-179.9	0	0	114.3	P258	P258-E260 PolarHBondContact O-N 3.44Å
261	A	34.3	Very low	39.4	Very low	36 Å²	36	109.8 Å²	109.8	30%	0.298	58%	0.582	S	S	.	*	G	3₁₀ helix	trans	-89.8	-19.6	175.4	0	0	0	0	0	113.4	V257 P258 R259	V257-A261 HydrophobicContact CG1-CB 3.98Å; P258-A261 PolarHBondContact O-N 3.42Å; R259-A261 VanDerWaalsContact C-N 3.26Å; R259-A261 PolarHBondContact O-N 3.5Å
262	I	33.7	Very low	42.5	Very low	104 Å²	104	102.8 Å²	102.8	53%	0.533	54%	0.544	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-27.1	-177.1	-61.5	173.3	0	0	0	111	R259 R264	R259-I262 PolarHBondContact O-N 3Å; I262-R264 VanDerWaalsContact C-N 3.29Å; I262-R264 PolarHBondContact O-N 2.98Å
263	L	30.5	Very low	45.3	Very low	141 Å²	141	93.9 Å²	93.9	74%	0.738	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-4.6	178	-77.1	161.5	0	0	0	114.8
264	R	37.5	Very low	48.7	Very low	172 Å²	172	87.6 Å²	87.6	65%	0.649	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	0.4	-179.5	-64.4	-156	-132.2	-160.6	4.6	115.3	I262 E266	I262-R264 VanDerWaalsContact C-N 3.29Å; I262-R264 PolarHBondContact O-N 2.98Å; R264-E266 VanDerWaalsContact C-N 3.28Å; R264-E266 PolarHBondContact O-N 3.17Å
265	A	35.1	Very low	51.8	Low	55 Å²	55	81.5 Å²	81.5	46%	0.455	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-6.5	-179.2	0	0	0	0	0	113.7
266	E	39.7	Very low	55	Low	188 Å²	188	75.6 Å²	75.6	88%	0.879	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	6.2	179.2	-72.2	-178.7	158.9	0	0	114.1	R264	R264-E266 VanDerWaalsContact C-N 3.28Å; R264-E266 PolarHBondContact O-N 3.17Å
267	E	50.7	Low	58.2	Low	103 Å²	103	70.5 Å²	70.5	48%	0.481	36%	0.358	S	S	.	.			trans	-117.8	28.1	-176.1	-66.6	178.7	167.2	0	0	113.8	S269 G369	E267-S269 PolarHBondContact O-N 3.12Å; E267-G369 WeakPolarHBondContact O-CA 3.4Å
268	L	52.8	Low	61.1	Low	52 Å²	52	66.3 Å²	66.3	27%	0.272	33%	0.332	S	S	.	.			trans	-80.8	101	173.5	-68.9	177.7	0	0	0	110.7	L377	L268-L377 HydrophobicContact CD1-CD1 4.06Å; L268-L377 HydrophobicContact CD1-CD2 3.8Å
269	S	61.2	Low	64	Low	54 Å²	54	62.6 Å²	62.6	38%	0.378	31%	0.308	S	S	.	.			trans	-71.7	-33	-179.7	-73.6	0	0	0	0	112.8	E267 S296 Y368	E267-S269 PolarHBondContact O-N 3.12Å; S269-S296 PolarHBondContact O-OG 3.11Å; S269-Y368 PolarHBondContact N-O 3.2Å
270	V	79.8	Confident	66.8	Low	28 Å²	28	53.5 Å²	53.5	17%	0.17	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	141.3	-174.6	-177	0	0	0	0	111.9	V294 F310 G367 Y368	V270-V294 HydrophobicContact CG1-CG1 3.37Å; V270-F310 HydrophobicContact CG1-CE2 4.01Å; V270-F310 HydrophobicContact CG1-CZ 3.96Å; V270-G367 WeakPolarHBondContact O-CA 3.33Å; V270-Y368 PolarHBondContact N-O 3.02Å; V270-Y368 PolarHBondContact O-N 3.44Å
271	I	85.1	Confident	69.1	Low	19 Å²	19	46.5 Å²	46.5	10%	0.097	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	122.4	168.2	-58.3	178.9	0	0	0	109	W295 P297 D365 I366 L377	I271-W295 WeakPolarHBondContact CA-O 3.38Å; I271-W295 HydrophobicContact CB-CE3 4.11Å; I271-W295 HydrophobicContact CD1-CE3 3.48Å; I271-W295 VanDerWaalsContact CD1-CE3 3.48Å; I271-W295 HydrophobicContact CD1-CZ3 3.45Å; I271-W295 VanDerWaalsContact CD1-CZ3 3.45Å; I271-W295 HydrophobicContact CG1-CE3 4.16Å; I271-W295 PolarHBondContact N-O 3.4Å; I271-W295 PolarHBondContact O-N 2.93Å; I271-P297 HydrophobicContact CD1-CG 3.88Å; I271-P297 HydrophobicContact CG1-CG 4.08Å; I271-D365 HydrophobicContact CG2-CB 4.21Å; I271-I366 CarbonylContact C-O 3.56Å; I271-I366 WeakPolarHBondContact CA-O 3.08Å; I271-L377 HydrophobicContact CD1-CD1 3.65Å; I271-L377 HydrophobicContact CG1-CD1 3.76Å; I271-L377 HydrophobicContact CG2-CD1 4.12Å
272	L	89.2	Confident	71.1	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	125.5	176.2	175.6	71.8	0	0	0	109.6	V294 L307 F310 F311 M327 I366 Y368	L272-V294 HydrophobicContact CD1-CG2 3.53Å; L272-L307 HydrophobicContact CD1-CD2 4.14Å; L272-L307 HydrophobicContact CD2-CD2 3.96Å; L272-L307 HydrophobicContact CG-CD2 4.41Å; L272-F310 HydrophobicContact CB-CE1 4.23Å; L272-F310 HydrophobicContact CB-CZ 4.27Å; L272-F310 HydrophobicContact CD1-CD1 4.22Å; L272-F310 HydrophobicContact CD1-CD2 4.48Å; L272-F310 HydrophobicContact CD1-CE1 4.33Å; L272-F310 HydrophobicContact CD1-CG 4.28Å; L272-F310 HydrophobicContact CD2-CD1 3.76Å; L272-F310 HydrophobicContact CD2-CE1 3.69Å; L272-F310 HydrophobicContact CD2-CZ 4.49Å; L272-F310 HydrophobicContact CG-CE1 4.31Å; L272-F311 HydrophobicContact CD2-CZ 4.37Å; L272-M327 HydrophobicContact CD2-CE 4.47Å; L272-M327 HydrophobicContact CD2-SD 3.49Å; L272-M327 WeakPolarHBondContact CD2-SD 3.35Å; L272-I366 PolarHBondContact N-O 2.7Å; L272-I366 PolarHBondContact O-N 2.04Å; L272-Y368 HydrophobicContact CB-CD2 4.49Å; L272-Y368 HydrophobicContact CB-CE2 4.09Å; L272-Y368 HydrophobicContact CD2-CE2 4.14Å
273	K	91.4	Very high	73.2	Confident	3 Å²	3	42.3 Å²	42.3	1%	0.013	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	111.2	168.8	-54.9	-159.2	175	-165	0	109.7	G292 T293 T363 F364 D365 D387	K273-G292 CarbonylContact O-C 3.19Å; K273-G292 VanDerWaalsContact O-CA 3.23Å; K273-G292 WeakPolarHBondContact O-CA 3.29Å; K273-T293 WeakPolarHBondContact CB-O 3.18Å; K273-T293 PolarHBondContact N-O 2.72Å; K273-T293 PolarHBondContact O-N 3.45Å; K273-T363 HydrophobicContact CB-CG2 3.99Å; K273-T363 HydrophobicContact CD-CG2 4.13Å; K273-T363 HydrophobicContact CG-CG2 4.49Å; K273-F364 CarbonylContact C-O 3.57Å; K273-F364 VanDerWaalsContact CA-O 3.26Å; K273-F364 WeakPolarHBondContact CA-O 3.48Å; K273-D365 WeakPolarHBondContact CE-OD1 3.5Å; K273-D365 WeakPolarHBondContact CG-OD1 3.17Å; K273-D387 VanDerWaalsContact CE-OD2 3.3Å; K273-D387 WeakPolarHBondContact CE-OD2 3.25Å; K273-D387 IonicContact NZ-OD1 3.36Å; K273-D387 PolarHBondContact NZ-OD1 3.13Å; K273-D387 IonicContact NZ-OD2 3.94Å; K273-D387 PolarHBondContact NZ-OD2 3.09Å
274	A	93.8	Very high	75.9	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	134.9	172.9	0	0	0	0	0	110.3	I288 I331 F364 I366	A274-I288 HydrophobicContact CB-CD1 4.39Å; A274-I331 HydrophobicContact CB-CD1 4.22Å; A274-F364 HydrophobicContact CB-CB 4.4Å; A274-F364 PolarHBondContact N-O 2.73Å; A274-F364 PolarHBondContact O-N 2.68Å; A274-I366 HydrophobicContact CB-CD1 4.04Å
275	Y	94.9	Very high	78.5	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	120.4	179.9	-52.6	-68.4	0	0	0	110	H289 T291 T293 L362 T363 L383 V385 L402	Y275-H289 PolarHBondContact O-N 2.82Å; Y275-T291 VanDerWaalsContact CD2-O 3.31Å; Y275-T291 WeakPolarHBondContact CD2-O 3.47Å; Y275-T293 WeakPolarHBondContact OH-CB 3.45Å; Y275-T293 PolarHBondContact OH-OG1 2.81Å; Y275-L362 WeakPolarHBondContact CA-O 3.37Å; Y275-T363 HydrophobicContact CD1-CG2 3.96Å; Y275-T363 HydrophobicContact CE1-CG2 3.73Å; Y275-L383 HydrophobicContact CD1-CD1 3.56Å; Y275-L383 HydrophobicContact CE1-CD1 3.62Å; Y275-L383 HydrophobicContact CG-CD1 4.42Å; Y275-V385 HydrophobicContact CE1-CG2 4.42Å; Y275-L402 HydrophobicContact CD1-CD1 4.2Å; Y275-L402 HydrophobicContact CD2-CD1 3.67Å; Y275-L402 HydrophobicContact CD2-CD2 3.79Å; Y275-L402 HydrophobicContact CD2-CG 4.42Å; Y275-L402 HydrophobicContact CE1-CD1 4.07Å; Y275-L402 HydrophobicContact CE2-CD1 3.53Å; Y275-L402 HydrophobicContact CE2-CD2 4.31Å; Y275-L402 HydrophobicContact CG-CD1 4.01Å; Y275-L402 HydrophobicContact CG-CD2 4.27Å
276	V	95.3	Very high	81.2	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	119.4	-171.7	-178.2	0	0	0	0	109.3	V278 F287 I288 I331 L335 L362 F364 L470	V276-V278 HydrophobicContact CG1-CG2 4.39Å; V276-F287 CarbonylContact C-O 3.49Å; V276-F287 WeakPolarHBondContact CA-O 3.39Å; V276-I288 HydrophobicContact CG2-CG1 4.42Å; V276-I331 HydrophobicContact CG1-CG2 4.42Å; V276-I331 HydrophobicContact CG2-CD1 4.25Å; V276-I331 HydrophobicContact CG2-CG2 3.97Å; V276-L335 HydrophobicContact CG1-CD1 4.13Å; V276-L362 PolarHBondContact N-O 3.4Å; V276-L362 PolarHBondContact O-N 3Å; V276-F364 HydrophobicContact CB-CD2 4Å; V276-F364 HydrophobicContact CB-CE2 3.83Å; V276-F364 HydrophobicContact CG1-CE2 4.29Å; V276-F364 HydrophobicContact CG2-CD2 3.61Å; V276-F364 HydrophobicContact CG2-CE2 3.81Å; V276-F364 HydrophobicContact CG2-CG 4.48Å; V276-L470 HydrophobicContact CG1-CD2 3.98Å
277	L	94.9	Very high	83.9	Confident	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	116.1	176.4	179.6	63.8	0	0	0	109.4	T279 A286 F287 F359 L361 T406 F409 L410 F467	L277-T279 HydrophobicContact CD2-CG2 4.28Å; L277-T279 HydrophobicContact CG-CG2 4.11Å; L277-A286 WeakPolarHBondContact O-CA 3.28Å; L277-F287 PolarHBondContact N-O 2.63Å; L277-F287 PolarHBondContact O-N 3.45Å; L277-F359 HydrophobicContact CD1-CB 4.43Å; L277-F359 HydrophobicContact CD1-CD2 4.16Å; L277-L361 HydrophobicContact CB-CD1 4.14Å; L277-L361 HydrophobicContact CD1-CB 4.37Å; L277-T406 HydrophobicContact CD1-CG2 4.04Å; L277-T406 HydrophobicContact CD2-CG2 4.19Å; L277-F409 HydrophobicContact CD2-CD1 3.39Å; L277-F409 HydrophobicContact CD2-CE1 3.57Å; L277-F409 HydrophobicContact CD2-CG 4.35Å; L277-L410 HydrophobicContact CD2-CD2 4.19Å; L277-L410 HydrophobicContact CD2-CG 4.32Å; L277-F467 HydrophobicContact CB-CD1 4.32Å; L277-F467 HydrophobicContact CB-CE1 3.76Å; L277-F467 HydrophobicContact CB-CZ 4.38Å; L277-F467 HydrophobicContact CD2-CE1 4.2Å; L277-F467 HydrophobicContact CD2-CZ 4.15Å
278	V	93.1	Very high	86	Confident	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	117.2	173.1	-175.3	0	0	0	0	108	L184 I187 V276 S280 L284 R285 A286 L335 F359 Q360 L362	L184-V278 HydrophobicContact CD1-CB 3.82Å; L184-V278 HydrophobicContact CD1-CG1 3.59Å; I187-V278 HydrophobicContact CD1-CB 4.25Å; I187-V278 HydrophobicContact CD1-CG1 4.04Å; I187-V278 HydrophobicContact CD1-CG2 4.25Å; V276-V278 HydrophobicContact CG1-CG2 4.39Å; V278-S280 WeakPolarHBondContact CG1-O 3.32Å; V278-L284 HydrophobicContact CG1-CD1 4.2Å; V278-R285 WeakPolarHBondContact CA-O 3.39Å; V278-A286 HydrophobicContact CG2-CB 4.46Å; V278-L335 HydrophobicContact CG2-CD2 4.04Å; V278-F359 CarbonylContact O-C 3.5Å; V278-F359 WeakPolarHBondContact O-CA 3.47Å; V278-Q360 PolarHBondContact N-O 2.98Å; V278-Q360 PolarHBondContact O-N 3.02Å; V278-L362 HydrophobicContact CG2-CD1 3.86Å
279	T	90.8	Very high	87.9	Confident	6 Å²	6	9 Å²	9	4%	0.037	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	-9.4	179.2	64.1	0	0	0	0	113.1	L277 R285 F287 C358 F409 L410 E460	L277-T279 HydrophobicContact CD2-CG2 4.28Å; L277-T279 HydrophobicContact CG-CG2 4.11Å; T279-R285 PolarHBondContact N-O 3.26Å; T279-R285 WeakPolarHBondContact OG1-CB 3.26Å; T279-F287 HydrophobicContact CG2-CD2 4.19Å; T279-F287 HydrophobicContact CG2-CE2 4.07Å; T279-C358 CarbonylContact C-O 3.57Å; T279-F409 HydrophobicContact CG2-CE1 3.98Å; T279-L410 HydrophobicContact CG2-CD2 3.82Å; T279-E460 WeakPolarHBondContact CB-OE1 3.46Å; T279-E460 WeakPolarHBondContact CG2-OE1 3.38Å; T279-E460 PolarHBondContact OG1-OE1 3.38Å; T279-E460 VanDerWaalsContact OG1-OE1 3.06Å; T279-E460 PolarHBondContact OG1-OE2 2.7Å
280	S	87.1	Confident	89.3	Confident	9 Å²	9	7 Å²	7	6%	0.063	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.3	137.2	174.6	172.4	0	0	0	0	108.7	V278 R282 P283 L284 R285	V278-S280 WeakPolarHBondContact CG1-O 3.32Å; S280-R282 PolarHBondContact OG-N 3.27Å; S280-R282 PolarHBondContact OG-O 3.29Å; S280-P283 WeakPolarHBondContact CB-O 3.46Å; S280-P283 PolarHBondContact OG-O 3.33Å; S280-L284 CarbonylContact O-C 3.25Å; S280-L284 WeakPolarHBondContact O-CA 3.44Å; S280-R285 VanDerWaalsContact CB-NE 3.32Å; S280-R285 PolarHBondContact O-N 3.35Å
281	L	80.6	Confident	89.8	Confident	6 Å²	6	6.8 Å²	6.8	3%	0.031	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	-23.2	171.1	-170.4	63.8	0	0	0	112.1	E186 I187 L284 E339	E186-L281 HydrophobicContact CB-CD2 3.5Å; E186-L281 HydrophobicContact CG-CD2 4.35Å; I187-L281 HydrophobicContact CD1-CD1 4.25Å; I187-L281 HydrophobicContact CG1-CD1 4.14Å; I187-L281 HydrophobicContact CG1-CD2 3.98Å; L281-L284 HydrophobicContact CD1-CD1 4.12Å; L281-L284 PolarHBondContact O-N 3.38Å; L281-E339 HydrophobicContact CD1-CB 4.28Å; L281-E339 HydrophobicContact CG-CB 4.47Å; L281-E339 VanDerWaalsContact O-CG 3.24Å; L281-E339 WeakPolarHBondContact O-CG 3.18Å; L281-E339 VanDerWaalsContact O-OE1 3.08Å
282	R	75.8	Confident	89.9	Confident	45 Å²	45	5.9 Å²	5.9	17%	0.17	3%	0.03	C	C	.	.	T	Hydrogen-bonded Turn	trans	-140	112.6	-177.4	-71	-177.7	179.5	173.9	-0.6	110.6	S280 E339 S342 E343 R354	S280-R282 PolarHBondContact OG-N 3.27Å; S280-R282 PolarHBondContact OG-O 3.29Å; R282-E339 HydrophobicContact CG-CG 4.14Å; R282-S342 VanDerWaalsContact NH2-CB 3.31Å; R282-S342 PolarHBondContact NH2-O 3.1Å; R282-S342 PolarHBondContact NH2-OG 3.34Å; R282-E343 VanDerWaalsContact NH2-N 3.1Å; R282-R354 HydrophobicContact CB-CG 4.48Å; R282-R354 PolarHBondContact O-NE 2.84Å; R282-R354 PolarHBondContact O-NH2 2.56Å
283	P	78.9	Confident	89.9	Confident	7 Å²	7	6 Å²	6	5%	0.045	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	cis	-57.8	149.5	-21.4	30.5	-37.1	0	0	0	110.4	S280 R285 E339 R497 L501	S280-P283 WeakPolarHBondContact CB-O 3.46Å; S280-P283 PolarHBondContact OG-O 3.33Å; P283-R285 PolarHBondContact O-N 2.56Å; P283-E339 VanDerWaalsContact CA-OE1 3.31Å; P283-E339 WeakPolarHBondContact CA-OE1 3.14Å; P283-R497 HydrophobicContact CB-CB 4.39Å; P283-L501 HydrophobicContact CB-CD1 3.73Å; P283-L501 HydrophobicContact CG-CD1 3.36Å; P283-L501 HydrophobicContact CG-CG 4.28Å
284	L	86.8	Confident	89.5	Confident	1 Å²	1	6 Å²	6	1%	0.005	3%	0.031	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	129.7	178.3	176.5	65.7	0	0	0	111	V278 S280 L281 A286 L335 L336 E339 F471	V278-L284 HydrophobicContact CG1-CD1 4.2Å; S280-L284 CarbonylContact O-C 3.25Å; S280-L284 WeakPolarHBondContact O-CA 3.44Å; L281-L284 HydrophobicContact CD1-CD1 4.12Å; L281-L284 PolarHBondContact O-N 3.38Å; L284-A286 HydrophobicContact CD1-CB 4.3Å; L284-L335 HydrophobicContact CD1-CB 4.11Å; L284-L335 HydrophobicContact CD2-CB 3.68Å; L284-L336 HydrophobicContact CD2-CD2 4.18Å; L284-L336 HydrophobicContact CD2-CG 4.11Å; L284-E339 WeakPolarHBondContact CB-OE2 3.39Å; L284-E339 PolarHBondContact N-OE1 3.34Å; L284-E339 VanDerWaalsContact N-OE1 3.09Å; L284-E339 PolarHBondContact N-OE2 3.26Å; L284-F471 HydrophobicContact CB-CD1 3.7Å; L284-F471 HydrophobicContact CB-CE1 3.89Å; L284-F471 HydrophobicContact CD2-CB 4.16Å; L284-F471 HydrophobicContact CD2-CD1 3.58Å; L284-F471 HydrophobicContact CD2-CD2 4.37Å; L284-F471 HydrophobicContact CD2-CE1 4.05Å; L284-F471 HydrophobicContact CD2-CG 3.75Å; L284-F471 HydrophobicContact CG-CB 4.27Å; L284-F471 HydrophobicContact CG-CD1 3.54Å; L284-F471 HydrophobicContact CG-CE1 4.18Å; L284-F471 HydrophobicContact CG-CG 4.05Å; L284-F471 VanDerWaalsContact O-CD1 3.31Å; L284-F471 WeakPolarHBondContact O-CD1 3.39Å
285	R	90.8	Very high	88.7	Confident	8 Å²	8	9.3 Å²	9.3	3%	0.03	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	113.3	170.6	-67.8	-176.9	-77.2	145.7	-2.9	107.9	V278 T279 S280 P283 F287 F457 E460 L501	V278-R285 WeakPolarHBondContact CA-O 3.39Å; T279-R285 PolarHBondContact N-O 3.26Å; T279-R285 WeakPolarHBondContact OG1-CB 3.26Å; S280-R285 VanDerWaalsContact CB-NE 3.32Å; S280-R285 PolarHBondContact O-N 3.35Å; P283-R285 PolarHBondContact O-N 2.56Å; R285-F287 HydrophobicContact CB-CE2 4.41Å; R285-F457 HydrophobicContact CG-CD2 4.16Å; R285-F457 HydrophobicContact CG-CE2 4.4Å; R285-E460 IonicContact CZ-OE2 2.72Å; R285-E460 VanDerWaalsContact NH1-CD 3.25Å; R285-E460 IonicContact NH1-OE1 3.64Å; R285-E460 PolarHBondContact NH1-OE1 2.79Å; R285-E460 VanDerWaalsContact NH1-OE1 3.1Å; R285-E460 IonicContact NH1-OE2 2.64Å; R285-E460 PolarHBondContact NH1-OE2 3.28Å; R285-L501 HydrophobicContact CG-CD1 3.99Å
286	A	93.6	Very high	87.5	Confident	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	143.1	-174.5	0	0	0	0	0	111.1	L277 V278 L284 L335 L470 F471	L277-A286 WeakPolarHBondContact O-CA 3.28Å; V278-A286 HydrophobicContact CG2-CB 4.46Å; L284-A286 HydrophobicContact CD1-CB 4.3Å; A286-L335 HydrophobicContact CB-CD1 3.73Å; A286-L470 HydrophobicContact CB-CB 4.33Å; A286-L470 HydrophobicContact CB-CD2 4.26Å; A286-L470 WeakPolarHBondContact O-CA 3.22Å; A286-L470 WeakPolarHBondContact O-CB 3.33Å; A286-L470 PolarHBondContact O-N 2.95Å; A286-F471 HydrophobicContact CB-CB 4.17Å; A286-F471 PolarHBondContact N-O 3.06Å; A286-F471 VanDerWaalsContact N-O 3.09Å; A286-F471 PolarHBondContact O-N 3.48Å
287	F	94.6	Very high	85.5	Confident	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	138.9	-177.8	-56.2	-93.6	0	0	0	109.3	V276 L277 T279 R285 F409 F457 E460 L464 F467 Q468 L469	V276-F287 CarbonylContact C-O 3.49Å; V276-F287 WeakPolarHBondContact CA-O 3.39Å; L277-F287 PolarHBondContact N-O 2.63Å; L277-F287 PolarHBondContact O-N 3.45Å; T279-F287 HydrophobicContact CG2-CD2 4.19Å; T279-F287 HydrophobicContact CG2-CE2 4.07Å; R285-F287 HydrophobicContact CB-CE2 4.41Å; F287-F409 HydrophobicContact CD1-CE2 4.2Å; F287-F409 AromaticContact CD1-CZ 3.87Å; F287-F409 HydrophobicContact CD1-CZ 3.87Å; F287-F409 HydrophobicContact CD2-CE1 4.15Å; F287-F409 AromaticContact CD2-CZ 3.76Å; F287-F409 HydrophobicContact CD2-CZ 3.76Å; F287-F409 HydrophobicContact CE1-CE2 4.28Å; F287-F409 AromaticContact CE1-CZ 3.86Å; F287-F409 HydrophobicContact CE1-CZ 3.86Å; F287-F409 HydrophobicContact CE2-CE1 4.28Å; F287-F409 AromaticContact CE2-CZ 3.77Å; F287-F409 HydrophobicContact CE2-CZ 3.77Å; F287-F409 HydrophobicContact CG-CE1 4.49Å; F287-F409 HydrophobicContact CG-CE2 4.45Å; F287-F409 AromaticContact CG-CZ 3.83Å; F287-F409 HydrophobicContact CG-CZ 3.83Å; F287-F409 AromaticContact CZ-CZ 3.81Å; F287-F409 HydrophobicContact CZ-CZ 3.81Å; F287-F457 HydrophobicContact CZ-CD2 4.31Å; F287-F457 HydrophobicContact CZ-CE2 4.06Å; F287-E460 HydrophobicContact CZ-CB 3.97Å; F287-L464 HydrophobicContact CD1-CD2 3.77Å; F287-L464 HydrophobicContact CE1-CD2 3.85Å; F287-F467 HydrophobicContact CB-CB 4.18Å; F287-F467 HydrophobicContact CB-CD1 4.02Å; F287-F467 HydrophobicContact CB-CG 4.43Å; F287-Q468 CarbonylContact C-O 3.6Å; F287-Q468 VanDerWaalsContact CA-O 3.27Å; F287-Q468 WeakPolarHBondContact CA-O 3.48Å; F287-L469 HydrophobicContact CD1-CB 4.5Å; F287-L469 HydrophobicContact CD1-CD1 3.97Å; F287-L469 HydrophobicContact CE1-CD1 3.49Å; F287-L469 VanDerWaalsContact CE1-CD1 3.49Å; F287-L469 HydrophobicContact CZ-CD1 4Å
288	I	94.6	Very high	83.3	Confident	1 Å²	1	16.9 Å²	16.9	1%	0.005	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	133.1	177.4	-171.1	169.2	0	0	0	109.8	A274 V276 L307 M327 I331 F467 Q468 L470	A274-I288 HydrophobicContact CB-CD1 4.39Å; V276-I288 HydrophobicContact CG2-CG1 4.42Å; I288-L307 HydrophobicContact CD1-CD1 3.56Å; I288-L307 HydrophobicContact CG1-CD1 3.75Å; I288-M327 HydrophobicContact CD1-CE 3.89Å; I288-I331 HydrophobicContact CD1-CD1 3.97Å; I288-F467 WeakPolarHBondContact O-CA 3.35Å; I288-Q468 HydrophobicContact CG2-CB 4.01Å; I288-Q468 PolarHBondContact N-O 3.41Å; I288-Q468 PolarHBondContact O-N 3.36Å; I288-L470 HydrophobicContact CB-CB 4.46Å; I288-L470 HydrophobicContact CG2-CB 4.44Å; I288-L470 HydrophobicContact CG2-CD1 4.43Å
289	H	94.2	Very high	81.2	Confident	1 Å²	1	21.8 Å²	21.8	1%	0.005	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	139.7	177.1	-170.1	-95.3	0	0	0	110.8	Y275 T291 L307 L402 D405 F467	Y275-H289 PolarHBondContact O-N 2.82Å; H289-T291 VanDerWaalsContact CE1-CB 3.49Å; H289-T291 WeakPolarHBondContact CE1-CB 3.19Å; H289-T291 PolarHBondContact CE1-OG1 3.14Å; H289-T291 WeakPolarHBondContact ND1-CB 3.36Å; H289-T291 PolarHBondContact ND1-N 2.85Å; H289-T291 PolarHBondContact ND1-O 3.41Å; H289-T291 PolarHBondContact O-N 3.24Å; H289-L307 WeakPolarHBondContact O-CD1 3.41Å; H289-L402 HydrophobicContact CB-CD2 4.45Å; H289-L402 VanDerWaalsContact CE1-CD2 3.47Å; H289-L402 WeakPolarHBondContact CE1-CD2 3.43Å; H289-L402 VanDerWaalsContact ND1-CD2 3.33Å; H289-L402 WeakPolarHBondContact ND1-CD2 3.18Å; H289-D405 IonicContact NE2-OD2 3.89Å; H289-D405 PolarHBondContact NE2-OD2 3.43Å; H289-F467 HydrophobicContact CB-CD1 4.08Å; H289-F467 HydrophobicContact CB-CE1 3.81Å; H289-F467 HydrophobicContact CB-CZ 4.41Å; H289-F467 AromaticContact CD2-CE1 3.98Å; H289-F467 AromaticContact CD2-CE2 3.93Å; H289-F467 AromaticContact CD2-CZ 3.77Å
290	S	90.1	Very high	79.5	Confident	14 Å²	14	30.5 Å²	30.5	10%	0.098	15%	0.152	C	C	.	.	S	Bend	trans	-66.1	-19	-177.2	67.8	0	0	0	0	114	K306 L307 E466	S290-K306 CarbonylContact O-C 3.55Å; S290-K306 WeakPolarHBondContact O-CA 3.35Å; S290-K306 WeakPolarHBondContact O-CD 3.38Å; S290-K306 PolarHBondContact OG-NZ 2.83Å; S290-L307 PolarHBondContact O-N 2.85Å; S290-E466 WeakPolarHBondContact CB-O 3.36Å; S290-E466 PolarHBondContact N-O 3.34Å; S290-E466 PolarHBondContact OG-O 2.87Å; S290-E466 PolarHBondContact OG-OE2 3.06Å
291	T	89.3	Confident	78	Confident	22 Å²	22	33 Å²	33	14%	0.135	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	136.9	174.6	-52.9	0	0	0	0	111.1	Y275 H289 V305 K306	Y275-T291 VanDerWaalsContact CD2-O 3.31Å; Y275-T291 WeakPolarHBondContact CD2-O 3.47Å; H289-T291 VanDerWaalsContact CE1-CB 3.49Å; H289-T291 WeakPolarHBondContact CE1-CB 3.19Å; H289-T291 PolarHBondContact CE1-OG1 3.14Å; H289-T291 WeakPolarHBondContact ND1-CB 3.36Å; H289-T291 PolarHBondContact ND1-N 2.85Å; H289-T291 PolarHBondContact ND1-O 3.41Å; H289-T291 PolarHBondContact O-N 3.24Å; T291-V305 CarbonylContact C-O 3.54Å; T291-V305 WeakPolarHBondContact CA-O 3.09Å; T291-K306 PolarHBondContact OG1-NZ 3.25Å
292	G	88.6	Confident	77.4	Confident	0 Å²	0	36 Å²	36	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	170.8	168.1	0	0	0	0	0	112.2	K273 T304 V305	K273-G292 CarbonylContact O-C 3.19Å; K273-G292 VanDerWaalsContact O-CA 3.23Å; K273-G292 WeakPolarHBondContact O-CA 3.29Å; G292-T304 WeakPolarHBondContact O-CA 3.39Å; G292-V305 PolarHBondContact N-O 2.84Å; G292-V305 PolarHBondContact O-N 3.17Å; G292-V305 VanDerWaalsContact O-O 3.11Å
293	T	88.1	Confident	77.3	Confident	3 Å²	3	37.4 Å²	37.4	2%	0.018	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	122.8	178.3	-61.1	0	0	0	0	110.4	K273 Y275	K273-T293 WeakPolarHBondContact CB-O 3.18Å; K273-T293 PolarHBondContact N-O 2.72Å; K273-T293 PolarHBondContact O-N 3.45Å; Y275-T293 WeakPolarHBondContact OH-CB 3.45Å; Y275-T293 PolarHBondContact OH-OG1 2.81Å
294	V	84.7	Confident	77.4	Confident	3 Å²	3	39.9 Å²	39.9	2%	0.018	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	127.2	-179.2	179.1	0	0	0	0	109.3	V270 L272 R302 F303 V305 F310	V270-V294 HydrophobicContact CG1-CG1 3.37Å; L272-V294 HydrophobicContact CD1-CG2 3.53Å; V294-R302 VanDerWaalsContact O-CA 3.3Å; V294-R302 WeakPolarHBondContact O-CA 3.44Å; V294-F303 HydrophobicContact CB-CD1 4.41Å; V294-F303 HydrophobicContact CB-CD2 4.39Å; V294-F303 HydrophobicContact CB-CE1 3.94Å; V294-F303 HydrophobicContact CB-CE2 3.92Å; V294-F303 HydrophobicContact CB-CZ 3.67Å; V294-F303 HydrophobicContact CG1-CE1 3.88Å; V294-F303 HydrophobicContact CG1-CE2 4.46Å; V294-F303 HydrophobicContact CG1-CZ 3.74Å; V294-F303 HydrophobicContact CG2-CE2 4.05Å; V294-F303 HydrophobicContact CG2-CZ 4.11Å; V294-F303 PolarHBondContact N-O 3.26Å; V294-F303 PolarHBondContact O-N 3.42Å; V294-V305 HydrophobicContact CG2-CG1 3.59Å; V294-F310 HydrophobicContact CB-CE2 4.48Å; V294-F310 HydrophobicContact CG1-CE2 4.05Å; V294-F310 HydrophobicContact CG2-CD2 3.45Å; V294-F310 VanDerWaalsContact CG2-CD2 3.45Å; V294-F310 HydrophobicContact CG2-CE2 3.52Å; V294-F310 HydrophobicContact CG2-CG 4.3Å; V294-F310 HydrophobicContact CG2-CZ 4.42Å
295	W	76.8	Confident	77.3	Confident	70 Å²	70	40.9 Å²	40.9	27%	0.265	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	127	167.7	-177.2	51	0	0	0	109.4	I271 P297 R302	I271-W295 WeakPolarHBondContact CA-O 3.38Å; I271-W295 HydrophobicContact CB-CE3 4.11Å; I271-W295 HydrophobicContact CD1-CE3 3.48Å; I271-W295 VanDerWaalsContact CD1-CE3 3.48Å; I271-W295 HydrophobicContact CD1-CZ3 3.45Å; I271-W295 VanDerWaalsContact CD1-CZ3 3.45Å; I271-W295 HydrophobicContact CG1-CE3 4.16Å; I271-W295 PolarHBondContact N-O 3.4Å; I271-W295 PolarHBondContact O-N 2.93Å; W295-P297 HydrophobicContact CD2-CG 4.39Å; W295-P297 HydrophobicContact CE3-CG 3.92Å; W295-P297 HydrophobicContact CH2-CB 4.01Å; W295-P297 HydrophobicContact CH2-CG 4.03Å; W295-P297 HydrophobicContact CZ2-CB 4.28Å; W295-P297 HydrophobicContact CZ2-CG 4.5Å; W295-P297 HydrophobicContact CZ3-CB 4.23Å; W295-P297 HydrophobicContact CZ3-CG 3.73Å; W295-P297 WeakPolarHBondContact O-CD 3.09Å; W295-R302 HydrophobicContact CB-CG 4.28Å; W295-R302 VanDerWaalsContact CD1-CG 3.42Å; W295-R302 HydrophobicContact CG-CG 4.15Å
296	S	68.6	Low	77.1	Confident	17 Å²	17	44.1 Å²	44.1	12%	0.119	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	105.4	172.5	-177.9	0	0	0	0	108.8	S269 K299 K300 K301	S269-S296 PolarHBondContact O-OG 3.11Å; S296-K299 PolarHBondContact O-N 2.78Å; S296-K300 PolarHBondContact O-N 2.97Å; S296-K301 PolarHBondContact N-O 3.15Å; S296-K301 VanDerWaalsContact N-O 3.11Å
297	P	53.9	Low	76.7	Confident	42 Å²	42	44.4 Å²	44.4	27%	0.273	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-51.9	-46.7	179	-22.8	30.8	0	0	0	114.3	I271 W295 K299 K300	I271-P297 HydrophobicContact CD1-CG 3.88Å; I271-P297 HydrophobicContact CG1-CG 4.08Å; W295-P297 HydrophobicContact CD2-CG 4.39Å; W295-P297 HydrophobicContact CE3-CG 3.92Å; W295-P297 HydrophobicContact CH2-CB 4.01Å; W295-P297 HydrophobicContact CH2-CG 4.03Å; W295-P297 HydrophobicContact CZ2-CB 4.28Å; W295-P297 HydrophobicContact CZ2-CG 4.5Å; W295-P297 HydrophobicContact CZ3-CB 4.23Å; W295-P297 HydrophobicContact CZ3-CG 3.73Å; W295-P297 WeakPolarHBondContact O-CD 3.09Å; P297-K299 PolarHBondContact O-N 2.88Å; P297-K300 PolarHBondContact O-N 3.41Å
298	P	48.9	Very low	76	Confident	100 Å²	100	48.5 Å²	48.5	65%	0.649	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-69.5	-18.7	-177.6	24.2	-32.2	0	0	0	114
299	K	48.3	Very low	75.2	Confident	103 Å²	103	53 Å²	53	45%	0.448	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-109.6	-4.4	-178.1	-63.9	-176.7	179.6	-178.5	0	113.8	S296 P297 K301	S296-K299 PolarHBondContact O-N 2.78Å; P297-K299 PolarHBondContact O-N 2.88Å; K299-K301 WeakPolarHBondContact O-CG 3.31Å; K299-K301 PolarHBondContact O-N 3.46Å
300	K	54.8	Low	74.6	Confident	189 Å²	189	53 Å²	53	82%	0.822	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	46	27.2	-172.7	-62.3	-175.1	179.9	-179.5	0	114.5	S296 P297	S296-K300 PolarHBondContact O-N 2.97Å; P297-K300 PolarHBondContact O-N 3.41Å
301	K	56.4	Low	73.9	Confident	60 Å²	60	52.4 Å²	52.4	26%	0.261	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	138.9	-178.7	-76.1	174.9	-172.2	-179.6	0	110.5	S296 K299 D672	S296-K301 PolarHBondContact N-O 3.15Å; S296-K301 VanDerWaalsContact N-O 3.11Å; K299-K301 WeakPolarHBondContact O-CG 3.31Å; K299-K301 PolarHBondContact O-N 3.46Å; K301-D672 PolarHBondContact NZ-O 3.02Å
302	R	68.5	Low	72.9	Confident	70 Å²	70	54.9 Å²	54.9	26%	0.264	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	134.1	174.9	-67.5	-178.1	-173.6	136.3	14.3	109.4	V294 W295 D388	V294-R302 VanDerWaalsContact O-CA 3.3Å; V294-R302 WeakPolarHBondContact O-CA 3.44Å; W295-R302 HydrophobicContact CB-CG 4.28Å; W295-R302 VanDerWaalsContact CD1-CG 3.42Å; W295-R302 HydrophobicContact CG-CG 4.15Å; R302-D388 IonicContact CZ-OD2 3.15Å; R302-D388 IonicContact NH1-OD2 2.74Å; R302-D388 PolarHBondContact NH1-OD2 3.08Å; R302-D388 IonicContact NH2-OD2 2.65Å; R302-D388 PolarHBondContact NH2-OD2 3.39Å
303	F	72.6	Confident	71.7	Confident	74 Å²	74	56.4 Å²	56.4	33%	0.325	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	153.5	172.5	62.4	-88.1	0	0	0	111.3	V294 V305 F314	V294-F303 HydrophobicContact CB-CD1 4.41Å; V294-F303 HydrophobicContact CB-CD2 4.39Å; V294-F303 HydrophobicContact CB-CE1 3.94Å; V294-F303 HydrophobicContact CB-CE2 3.92Å; V294-F303 HydrophobicContact CB-CZ 3.67Å; V294-F303 HydrophobicContact CG1-CE1 3.88Å; V294-F303 HydrophobicContact CG1-CE2 4.46Å; V294-F303 HydrophobicContact CG1-CZ 3.74Å; V294-F303 HydrophobicContact CG2-CE2 4.05Å; V294-F303 HydrophobicContact CG2-CZ 4.11Å; V294-F303 PolarHBondContact N-O 3.26Å; V294-F303 PolarHBondContact O-N 3.42Å; F303-V305 HydrophobicContact CD2-CB 4.18Å; F303-V305 HydrophobicContact CE2-CB 4.04Å; F303-V305 HydrophobicContact CE2-CG1 4.17Å; F303-F314 HydrophobicContact CE1-CE1 4.37Å; F303-F314 AromaticContact CE2-CE1 3.97Å; F303-F314 HydrophobicContact CE2-CE1 3.97Å; F303-F314 HydrophobicContact CE2-CE2 4.04Å; F303-F314 AromaticContact CE2-CZ 3.58Å; F303-F314 HydrophobicContact CE2-CZ 3.58Å; F303-F314 HydrophobicContact CZ-CD1 4.04Å; F303-F314 AromaticContact CZ-CE1 3.46Å; F303-F314 HydrophobicContact CZ-CE1 3.46Å; F303-F314 VanDerWaalsContact CZ-CE1 3.46Å; F303-F314 HydrophobicContact CZ-CE2 4.3Å; F303-F314 AromaticContact CZ-CZ 3.6Å; F303-F314 HydrophobicContact CZ-CZ 3.6Å
304	T	81.9	Confident	70.3	Confident	60 Å²	60	59.7 Å²	59.7	37%	0.368	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	139.4	175.3	55.1	0	0	0	0	111	G292 T398	G292-T304 WeakPolarHBondContact O-CA 3.39Å; T304-T398 HydrophobicContact CG2-CG2 3.49Å; T304-T398 VanDerWaalsContact CG2-CG2 3.49Å; T304-T398 WeakPolarHBondContact CG2-OG1 3.45Å
305	V	83.6	Confident	69	Low	21 Å²	21	60.9 Å²	60.9	13%	0.127	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	151.8	-177.5	65.5	0	0	0	0	110.1	T291 G292 V294 F303 M309 F310 F314	T291-V305 CarbonylContact C-O 3.54Å; T291-V305 WeakPolarHBondContact CA-O 3.09Å; G292-V305 PolarHBondContact N-O 2.84Å; G292-V305 PolarHBondContact O-N 3.17Å; G292-V305 VanDerWaalsContact O-O 3.11Å; V294-V305 HydrophobicContact CG2-CG1 3.59Å; F303-V305 HydrophobicContact CD2-CB 4.18Å; F303-V305 HydrophobicContact CE2-CB 4.04Å; F303-V305 HydrophobicContact CE2-CG1 4.17Å; V305-M309 HydrophobicContact CG2-CB 4.03Å; V305-F310 HydrophobicContact CG1-CB 3.82Å; V305-F310 HydrophobicContact CG1-CD2 4.26Å; V305-F310 HydrophobicContact CG1-CG 4.39Å; V305-F310 HydrophobicContact CG2-CB 4.42Å; V305-F314 HydrophobicContact CG2-CE2 4.16Å
306	K	87.7	Confident	67.8	Low	76 Å²	76	64.8 Å²	64.8	33%	0.33	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	135.7	167.5	-68.2	-71.6	-175.6	-178.3	0	109.3	S290 T291 Q308 M309 F310 E466	S290-K306 CarbonylContact O-C 3.55Å; S290-K306 WeakPolarHBondContact O-CA 3.35Å; S290-K306 WeakPolarHBondContact O-CD 3.38Å; S290-K306 PolarHBondContact OG-NZ 2.83Å; T291-K306 PolarHBondContact OG1-NZ 3.25Å; K306-Q308 VanDerWaalsContact C-N 3.29Å; K306-Q308 PolarHBondContact O-N 3.15Å; K306-M309 HydrophobicContact CB-CB 4.19Å; K306-M309 HydrophobicContact CB-CG 4.11Å; K306-M309 WeakPolarHBondContact O-CB 3.49Å; K306-M309 PolarHBondContact O-N 3.35Å; K306-M309 VanDerWaalsContact O-N 3.13Å; K306-F310 PolarHBondContact O-N 2.96Å; K306-E466 IonicContact NZ-OE1 2.66Å; K306-E466 IonicContact NZ-OE2 3.43Å; K306-E466 PolarHBondContact NZ-OE2 3.11Å
307	L	84.1	Confident	66.9	Low	7 Å²	7	65.4 Å²	65.4	4%	0.037	31%	0.312	C	S	.	.	H	α-helix	trans	-57.7	-41.8	-175.1	-66.9	177.5	0	0	0	112	L272 I288 H289 S290 F310 F311 L324 M327	L272-L307 HydrophobicContact CD1-CD2 4.14Å; L272-L307 HydrophobicContact CD2-CD2 3.96Å; L272-L307 HydrophobicContact CG-CD2 4.41Å; I288-L307 HydrophobicContact CD1-CD1 3.56Å; I288-L307 HydrophobicContact CG1-CD1 3.75Å; H289-L307 WeakPolarHBondContact O-CD1 3.41Å; S290-L307 PolarHBondContact O-N 2.85Å; L307-F310 VanDerWaalsContact O-CB 3.31Å; L307-F310 WeakPolarHBondContact O-CB 3.11Å; L307-F310 PolarHBondContact O-N 3.48Å; L307-F310 VanDerWaalsContact O-N 3.15Å; L307-F311 WeakPolarHBondContact O-CD2 3.04Å; L307-F311 PolarHBondContact O-N 2.83Å; L307-L324 HydrophobicContact CB-CD1 4.13Å; L307-M327 HydrophobicContact CD1-CE 3.94Å; L307-M327 HydrophobicContact CD2-CE 4.17Å; L307-M327 HydrophobicContact CG-CE 4.47Å
308	Q	80.4	Confident	66.6	Low	86 Å²	86	69.9 Å²	69.9	40%	0.402	34%	0.344	S	S	.	.	H	α-helix	trans	-60.5	-50	175.5	-179.9	172.5	-5.5	0	0	111.9	K306 F310 F311 E312 L324	K306-Q308 VanDerWaalsContact C-N 3.29Å; K306-Q308 PolarHBondContact O-N 3.15Å; Q308-F310 PolarHBondContact O-N 3.3Å; Q308-F311 PolarHBondContact O-N 3.38Å; Q308-E312 HydrophobicContact CG-CG 4.45Å; Q308-E312 WeakPolarHBondContact CG-OE1 3.43Å; Q308-E312 PolarHBondContact NE2-OE1 2.94Å; Q308-E312 WeakPolarHBondContact O-CG 3.09Å; Q308-E312 PolarHBondContact O-N 3.12Å; Q308-L324 HydrophobicContact CB-CD2 4.38Å
309	M	77.1	Confident	67.5	Low	96 Å²	96	67 Å²	67	47%	0.473	33%	0.326	S	S	.	.	H	α-helix	trans	-57.7	-33.2	174.2	-71.7	-67.8	-62.1	0	0	112.4	V305 K306 T313	V305-M309 HydrophobicContact CG2-CB 4.03Å; K306-M309 HydrophobicContact CB-CB 4.19Å; K306-M309 HydrophobicContact CB-CG 4.11Å; K306-M309 WeakPolarHBondContact O-CB 3.49Å; K306-M309 PolarHBondContact O-N 3.35Å; K306-M309 VanDerWaalsContact O-N 3.13Å; M309-T313 WeakPolarHBondContact O-CB 3.35Å; M309-T313 PolarHBondContact O-N 3.42Å; M309-T313 PolarHBondContact O-OG1 3.32Å
310	F	81.4	Confident	68.5	Low	1 Å²	1	63.9 Å²	63.9	0%	0.004	32%	0.317	C	S	.	.	H	α-helix	trans	-61.5	-50.1	176.8	174.1	-106.3	0	0	0	111.8	V270 L272 V294 V305 K306 L307 Q308 F314 L315 Y368	V270-F310 HydrophobicContact CG1-CE2 4.01Å; V270-F310 HydrophobicContact CG1-CZ 3.96Å; L272-F310 HydrophobicContact CB-CE1 4.23Å; L272-F310 HydrophobicContact CB-CZ 4.27Å; L272-F310 HydrophobicContact CD1-CD1 4.22Å; L272-F310 HydrophobicContact CD1-CD2 4.48Å; L272-F310 HydrophobicContact CD1-CE1 4.33Å; L272-F310 HydrophobicContact CD1-CG 4.28Å; L272-F310 HydrophobicContact CD2-CD1 3.76Å; L272-F310 HydrophobicContact CD2-CE1 3.69Å; L272-F310 HydrophobicContact CD2-CZ 4.49Å; L272-F310 HydrophobicContact CG-CE1 4.31Å; V294-F310 HydrophobicContact CB-CE2 4.48Å; V294-F310 HydrophobicContact CG1-CE2 4.05Å; V294-F310 HydrophobicContact CG2-CD2 3.45Å; V294-F310 VanDerWaalsContact CG2-CD2 3.45Å; V294-F310 HydrophobicContact CG2-CE2 3.52Å; V294-F310 HydrophobicContact CG2-CG 4.3Å; V294-F310 HydrophobicContact CG2-CZ 4.42Å; V305-F310 HydrophobicContact CG1-CB 3.82Å; V305-F310 HydrophobicContact CG1-CD2 4.26Å; V305-F310 HydrophobicContact CG1-CG 4.39Å; V305-F310 HydrophobicContact CG2-CB 4.42Å; K306-F310 PolarHBondContact O-N 2.96Å; L307-F310 VanDerWaalsContact O-CB 3.31Å; L307-F310 WeakPolarHBondContact O-CB 3.11Å; L307-F310 PolarHBondContact O-N 3.48Å; L307-F310 VanDerWaalsContact O-N 3.15Å; Q308-F310 PolarHBondContact O-N 3.3Å; F310-F314 HydrophobicContact CD2-CB 3.81Å; F310-F314 AromaticContact CD2-CD2 3.95Å; F310-F314 HydrophobicContact CD2-CD2 3.95Å; F310-F314 HydrophobicContact CD2-CG 4.03Å; F310-F314 HydrophobicContact CE2-CB 3.82Å; F310-F314 HydrophobicContact CE2-CG 4.33Å; F310-F314 WeakPolarHBondContact O-CA 3.13Å; F310-F314 WeakPolarHBondContact O-CB 3.47Å; F310-F314 PolarHBondContact O-N 3.44Å; F310-L315 HydrophobicContact CD1-CD1 4.11Å; F310-L315 HydrophobicContact CE1-CD1 3.31Å; F310-L315 HydrophobicContact CE1-CG 3.95Å; F310-L315 HydrophobicContact CZ-CD1 3.79Å; F310-L315 HydrophobicContact CZ-CG 3.96Å; F310-Y368 HydrophobicContact CE1-CD2 4.27Å; F310-Y368 HydrophobicContact CE1-CE2 4.01Å; F310-Y368 HydrophobicContact CZ-CD2 4.37Å
311	F	77.3	Confident	69.3	Low	1 Å²	1	59.6 Å²	59.6	0%	0.004	30%	0.302	C	S	.	.	H	α-helix	trans	-69.9	-37.6	178.9	-66.7	-74.5	0	0	0	112.5	L272 L307 Q308 L315 P320 A323 L324 M327 Y368	L272-F311 HydrophobicContact CD2-CZ 4.37Å; L307-F311 WeakPolarHBondContact O-CD2 3.04Å; L307-F311 PolarHBondContact O-N 2.83Å; Q308-F311 PolarHBondContact O-N 3.38Å; F311-L315 HydrophobicContact CD1-CD1 3.48Å; F311-L315 VanDerWaalsContact CD1-CD1 3.48Å; F311-L315 HydrophobicContact CE1-CD1 3.46Å; F311-L315 VanDerWaalsContact CE1-CD1 3.46Å; F311-P320 HydrophobicContact CB-CB 4.11Å; F311-P320 WeakPolarHBondContact CB-O 3.47Å; F311-A323 HydrophobicContact CB-CB 4.43Å; F311-A323 HydrophobicContact CD1-CB 3.44Å; F311-A323 VanDerWaalsContact CD1-CB 3.44Å; F311-A323 HydrophobicContact CE1-CB 3.99Å; F311-A323 HydrophobicContact CG-CB 4.12Å; F311-L324 HydrophobicContact CD2-CB 3.63Å; F311-L324 HydrophobicContact CD2-CD1 3.87Å; F311-L324 HydrophobicContact CD2-CG 4.3Å; F311-L324 HydrophobicContact CE2-CB 3.98Å; F311-L324 HydrophobicContact CE2-CD1 3.63Å; F311-L324 HydrophobicContact CE2-CG 4.42Å; F311-L324 HydrophobicContact CG-CB 4.24Å; F311-M327 HydrophobicContact CE2-CB 4.48Å; F311-M327 HydrophobicContact CE2-CE 3.73Å; F311-M327 HydrophobicContact CE2-SD 4.01Å; F311-M327 HydrophobicContact CZ-CB 3.85Å; F311-M327 HydrophobicContact CZ-CE 3.98Å; F311-M327 HydrophobicContact CZ-CG 4.3Å; F311-M327 HydrophobicContact CZ-SD 3.66Å; F311-Y368 AromaticContact CE1-CE1 3.84Å; F311-Y368 HydrophobicContact CE1-CE1 3.84Å; F311-Y368 AromaticContact CE1-CZ 3.65Å; F311-Y368 VanDerWaalsContact CE1-OH 3.3Å; F311-Y368 WeakPolarHBondContact CE1-OH 3.49Å; F311-Y368 AromaticContact CZ-CZ 3.89Å; F311-Y368 WeakPolarHBondContact CZ-OH 3.44Å
312	E	68.3	Low	70.3	Confident	73 Å²	73	62.5 Å²	62.5	34%	0.341	32%	0.317	S	S	.	.	H	α-helix	trans	-66.8	-38.5	178.1	-71.2	169.7	178.3	0	0	111.9	Q308 P320 R733	Q308-E312 HydrophobicContact CG-CG 4.45Å; Q308-E312 WeakPolarHBondContact CG-OE1 3.43Å; Q308-E312 PolarHBondContact NE2-OE1 2.94Å; Q308-E312 WeakPolarHBondContact O-CG 3.09Å; Q308-E312 PolarHBondContact O-N 3.12Å; E312-P320 HydrophobicContact CB-CB 4.29Å; E312-P320 HydrophobicContact CG-CB 3.63Å; E312-P320 HydrophobicContact CG-CG 4.15Å; E312-R733 PolarHBondContact O-NH1 2.9Å
313	T	62.9	Low	70.8	Confident	33 Å²	33	59.6 Å²	59.6	20%	0.202	31%	0.307	C	S	.	.	H	α-helix	trans	-99	-40.5	-170.8	-50.2	0	0	0	0	113.2	M309 R733	M309-T313 WeakPolarHBondContact O-CB 3.35Å; M309-T313 PolarHBondContact O-N 3.42Å; M309-T313 PolarHBondContact O-OG1 3.32Å; T313-R733 PolarHBondContact O-NH1 3.09Å; T313-R733 PolarHBondContact O-NH2 3.17Å
314	F	58.1	Low	71.4	Confident	71 Å²	71	56.5 Å²	56.5	31%	0.311	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-32.3	-163.2	-66.4	-92	0	0	0	115.4	F303 V305 F310 L667	F303-F314 HydrophobicContact CE1-CE1 4.37Å; F303-F314 AromaticContact CE2-CE1 3.97Å; F303-F314 HydrophobicContact CE2-CE1 3.97Å; F303-F314 HydrophobicContact CE2-CE2 4.04Å; F303-F314 AromaticContact CE2-CZ 3.58Å; F303-F314 HydrophobicContact CE2-CZ 3.58Å; F303-F314 HydrophobicContact CZ-CD1 4.04Å; F303-F314 AromaticContact CZ-CE1 3.46Å; F303-F314 HydrophobicContact CZ-CE1 3.46Å; F303-F314 VanDerWaalsContact CZ-CE1 3.46Å; F303-F314 HydrophobicContact CZ-CE2 4.3Å; F303-F314 AromaticContact CZ-CZ 3.6Å; F303-F314 HydrophobicContact CZ-CZ 3.6Å; V305-F314 HydrophobicContact CG2-CE2 4.16Å; F310-F314 HydrophobicContact CD2-CB 3.81Å; F310-F314 AromaticContact CD2-CD2 3.95Å; F310-F314 HydrophobicContact CD2-CD2 3.95Å; F310-F314 HydrophobicContact CD2-CG 4.03Å; F310-F314 HydrophobicContact CE2-CB 3.82Å; F310-F314 HydrophobicContact CE2-CG 4.33Å; F310-F314 WeakPolarHBondContact O-CA 3.13Å; F310-F314 WeakPolarHBondContact O-CB 3.47Å; F310-F314 PolarHBondContact O-N 3.44Å; F314-L667 HydrophobicContact CZ-CD2 4.44Å
315	L	57.6	Low	71.5	Confident	29 Å²	29	56.8 Å²	56.8	15%	0.152	29%	0.294	C	S	.	.	S	Bend	trans	-94.1	-5.7	-173.5	-80.6	169.1	0	0	0	115.6	F310 F311 T317 Y368	F310-L315 HydrophobicContact CD1-CD1 4.11Å; F310-L315 HydrophobicContact CE1-CD1 3.31Å; F310-L315 HydrophobicContact CE1-CG 3.95Å; F310-L315 HydrophobicContact CZ-CD1 3.79Å; F310-L315 HydrophobicContact CZ-CG 3.96Å; F311-L315 HydrophobicContact CD1-CD1 3.48Å; F311-L315 VanDerWaalsContact CD1-CD1 3.48Å; F311-L315 HydrophobicContact CE1-CD1 3.46Å; F311-L315 VanDerWaalsContact CE1-CD1 3.46Å; L315-T317 HydrophobicContact CB-CG2 4.18Å; L315-T317 PolarHBondContact O-N 3.46Å; L315-Y368 HydrophobicContact CD1-CD1 3.5Å; L315-Y368 VanDerWaalsContact CD1-CD1 3.5Å; L315-Y368 HydrophobicContact CD1-CD2 4.1Å; L315-Y368 HydrophobicContact CD1-CE1 3.62Å; L315-Y368 HydrophobicContact CD1-CE2 4.21Å; L315-Y368 HydrophobicContact CD1-CG 3.75Å; L315-Y368 HydrophobicContact CD2-CD1 3.96Å; L315-Y368 HydrophobicContact CD2-CG 3.8Å; L315-Y368 HydrophobicContact CG-CD1 4.42Å; L315-Y368 HydrophobicContact CG-CG 4.44Å
316	R	52	Low	71.5	Confident	152 Å²	152	57.5 Å²	57.5	57%	0.574	30%	0.299	S	S	*	.			trans	49.7	24.4	178	-64.2	179.6	172.2	-164.7	-7.8	114	S730 D731	R316-S730 PolarHBondContact NH2-O 2.88Å; R316-S730 VanDerWaalsContact NH2-O 3.09Å; R316-D731 IonicContact CZ-OD2 3.12Å; R316-D731 IonicContact NE-OD2 3.18Å; R316-D731 PolarHBondContact NE-OD2 3.22Å; R316-D731 VanDerWaalsContact NE-OD2 3.11Å; R316-D731 IonicContact NH2-OD2 3.89Å; R316-D731 PolarHBondContact NH2-OD2 3.16Å
317	T	50.2	Low	71.6	Confident	30 Å²	30	53.9 Å²	53.9	18%	0.184	28%	0.284	C	S	.	.			trans	-69	139.2	177.9	48.5	0	0	0	0	109	L315 S319 A323	L315-T317 HydrophobicContact CB-CG2 4.18Å; L315-T317 PolarHBondContact O-N 3.46Å; T317-S319 PolarHBondContact O-N 3.24Å; T317-A323 HydrophobicContact CG2-CB 3.97Å
318	S	46.5	Very low	71.9	Confident	136 Å²	136	54.9 Å²	54.9	95%	0.951	29%	0.288	S	S	*	.	S	Bend	trans	-54.6	-17.4	178	3.5	0	0	0	0	113.5
319	S	67.7	Low	72.2	Confident	39 Å²	39	53 Å²	53	27%	0.273	28%	0.279	S	S	.	.			trans	-145	89.1	178.2	46.6	0	0	0	0	111	T317 L321 Q322 A323	T317-S319 PolarHBondContact O-N 3.24Å; S319-L321 VanDerWaalsContact C-N 3.27Å; S319-L321 PolarHBondContact O-N 3.33Å; S319-Q322 WeakPolarHBondContact O-CB 3.48Å; S319-Q322 PolarHBondContact O-N 3.14Å; S319-Q322 VanDerWaalsContact OG-CB 3.24Å; S319-Q322 WeakPolarHBondContact OG-CB 3.46Å; S319-Q322 PolarHBondContact OG-OE1 3.35Å; S319-A323 PolarHBondContact O-N 3.4Å
320	P	69.2	Low	72.7	Confident	38 Å²	38	48.6 Å²	48.6	25%	0.247	26%	0.258	C	S	.	.	H	α-helix	trans	-54.7	-38.5	179	-29.5	37.3	0	0	0	114.6	F311 E312 A323 L324	F311-P320 HydrophobicContact CB-CB 4.11Å; F311-P320 WeakPolarHBondContact CB-O 3.47Å; E312-P320 HydrophobicContact CB-CB 4.29Å; E312-P320 HydrophobicContact CG-CB 3.63Å; E312-P320 HydrophobicContact CG-CG 4.15Å; P320-A323 PolarHBondContact O-N 2.89Å; P320-L324 PolarHBondContact O-N 3.05Å
321	L	71.7	Confident	73.2	Confident	98 Å²	98	48.6 Å²	48.6	51%	0.513	26%	0.258	S	S	.	.	H	α-helix	trans	-62.6	-44.6	175.6	-68.5	171.4	0	0	0	111.3	S319 A323 L324 D325	S319-L321 VanDerWaalsContact C-N 3.27Å; S319-L321 PolarHBondContact O-N 3.33Å; L321-A323 VanDerWaalsContact C-N 3.3Å; L321-A323 PolarHBondContact O-N 3.1Å; L321-L324 WeakPolarHBondContact O-CB 3.25Å; L321-L324 PolarHBondContact O-N 3.2Å; L321-D325 WeakPolarHBondContact O-CB 3.29Å; L321-D325 PolarHBondContact O-N 3.29Å
322	Q	77.3	Confident	73.8	Confident	122 Å²	122	48.6 Å²	48.6	57%	0.57	26%	0.258	S	S	*	.	H	α-helix	trans	-65.5	-33.1	177.6	-168.5	178.6	4.8	0	0	112.3	S319 D325 S326	S319-Q322 WeakPolarHBondContact O-CB 3.48Å; S319-Q322 PolarHBondContact O-N 3.14Å; S319-Q322 VanDerWaalsContact OG-CB 3.24Å; S319-Q322 WeakPolarHBondContact OG-CB 3.46Å; S319-Q322 PolarHBondContact OG-OE1 3.35Å; Q322-D325 PolarHBondContact O-N 3Å; Q322-S326 VanDerWaalsContact O-CB 3.3Å; Q322-S326 WeakPolarHBondContact O-CB 3.37Å; Q322-S326 PolarHBondContact O-N 3.08Å; Q322-S326 PolarHBondContact O-OG 3.26Å
323	A	79.3	Confident	74.6	Confident	8 Å²	8	46.9 Å²	46.9	7%	0.066	25%	0.249	C	C	.	.	H	α-helix	trans	-71.3	-39.7	176.5	0	0	0	0	0	112	F311 T317 S319 P320 L321 S326 M327	F311-A323 HydrophobicContact CB-CB 4.43Å; F311-A323 HydrophobicContact CD1-CB 3.44Å; F311-A323 VanDerWaalsContact CD1-CB 3.44Å; F311-A323 HydrophobicContact CE1-CB 3.99Å; F311-A323 HydrophobicContact CG-CB 4.12Å; T317-A323 HydrophobicContact CG2-CB 3.97Å; S319-A323 PolarHBondContact O-N 3.4Å; P320-A323 PolarHBondContact O-N 2.89Å; L321-A323 VanDerWaalsContact C-N 3.3Å; L321-A323 PolarHBondContact O-N 3.1Å; A323-S326 PolarHBondContact O-N 3.42Å; A323-M327 PolarHBondContact O-N 2.91Å
324	L	84.5	Confident	75.8	Confident	9 Å²	9	45.3 Å²	45.3	5%	0.047	24%	0.24	C	C	.	.	H	α-helix	trans	-61.2	-45	169.9	177.1	60	0	0	0	111	L307 Q308 F311 P320 L321 S326 M327 K328	L307-L324 HydrophobicContact CB-CD1 4.13Å; Q308-L324 HydrophobicContact CB-CD2 4.38Å; F311-L324 HydrophobicContact CD2-CB 3.63Å; F311-L324 HydrophobicContact CD2-CD1 3.87Å; F311-L324 HydrophobicContact CD2-CG 4.3Å; F311-L324 HydrophobicContact CE2-CB 3.98Å; F311-L324 HydrophobicContact CE2-CD1 3.63Å; F311-L324 HydrophobicContact CE2-CG 4.42Å; F311-L324 HydrophobicContact CG-CB 4.24Å; P320-L324 PolarHBondContact O-N 3.05Å; L321-L324 WeakPolarHBondContact O-CB 3.25Å; L321-L324 PolarHBondContact O-N 3.2Å; L324-S326 VanDerWaalsContact C-N 3.34Å; L324-M327 HydrophobicContact CD1-CE 3.74Å; L324-M327 WeakPolarHBondContact O-CB 3.09Å; L324-M327 PolarHBondContact O-N 2.96Å; L324-K328 HydrophobicContact CG-CD 4.37Å; L324-K328 WeakPolarHBondContact O-CG 3.19Å; L324-K328 PolarHBondContact O-N 2.98Å
325	D	84.1	Confident	77.3	Confident	67 Å²	67	42 Å²	42	36%	0.358	23%	0.225	S	C	.	.	H	α-helix	trans	-65.4	-38.3	177.3	-68.1	-24.6	0	0	0	111.6	L321 Q322 M327 K328 E329	L321-D325 WeakPolarHBondContact O-CB 3.29Å; L321-D325 PolarHBondContact O-N 3.29Å; Q322-D325 PolarHBondContact O-N 3Å; D325-M327 VanDerWaalsContact C-N 3.32Å; D325-M327 PolarHBondContact O-N 2.91Å; D325-K328 PolarHBondContact O-N 3.43Å; D325-E329 VanDerWaalsContact O-CB 3.28Å; D325-E329 WeakPolarHBondContact O-CB 3.33Å; D325-E329 PolarHBondContact O-N 3.01Å
326	S	85.1	Confident	78.5	Confident	35 Å²	35	40.6 Å²	40.6	25%	0.245	22%	0.218	C	C	.	.	H	α-helix	trans	-63.2	-38.4	173.9	-61	0	0	0	0	111.7	Q322 A323 L324 A330	Q322-S326 VanDerWaalsContact O-CB 3.3Å; Q322-S326 WeakPolarHBondContact O-CB 3.37Å; Q322-S326 PolarHBondContact O-N 3.08Å; Q322-S326 PolarHBondContact O-OG 3.26Å; A323-S326 PolarHBondContact O-N 3.42Å; L324-S326 VanDerWaalsContact C-N 3.34Å; S326-A330 WeakPolarHBondContact O-CB 3.47Å; S326-A330 PolarHBondContact O-N 3.23Å
327	M	88.9	Confident	79.9	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-67.1	-45.6	174.2	-175.4	-173.4	64.8	0	0	111.1	L272 I288 L307 F311 A323 L324 D325 E329 A330 I331 I366 Y368	L272-M327 HydrophobicContact CD2-CE 4.47Å; L272-M327 HydrophobicContact CD2-SD 3.49Å; L272-M327 WeakPolarHBondContact CD2-SD 3.35Å; I288-M327 HydrophobicContact CD1-CE 3.89Å; L307-M327 HydrophobicContact CD1-CE 3.94Å; L307-M327 HydrophobicContact CD2-CE 4.17Å; L307-M327 HydrophobicContact CG-CE 4.47Å; F311-M327 HydrophobicContact CE2-CB 4.48Å; F311-M327 HydrophobicContact CE2-CE 3.73Å; F311-M327 HydrophobicContact CE2-SD 4.01Å; F311-M327 HydrophobicContact CZ-CB 3.85Å; F311-M327 HydrophobicContact CZ-CE 3.98Å; F311-M327 HydrophobicContact CZ-CG 4.3Å; F311-M327 HydrophobicContact CZ-SD 3.66Å; A323-M327 PolarHBondContact O-N 2.91Å; L324-M327 HydrophobicContact CD1-CE 3.74Å; L324-M327 WeakPolarHBondContact O-CB 3.09Å; L324-M327 PolarHBondContact O-N 2.96Å; D325-M327 VanDerWaalsContact C-N 3.32Å; D325-M327 PolarHBondContact O-N 2.91Å; M327-E329 VanDerWaalsContact C-N 3.3Å; M327-E329 PolarHBondContact O-N 3.14Å; M327-A330 WeakPolarHBondContact O-CB 3.41Å; M327-A330 PolarHBondContact O-N 3.31Å; M327-I331 HydrophobicContact CG-CD1 4.14Å; M327-I331 WeakPolarHBondContact O-CG1 3.39Å; M327-I331 PolarHBondContact O-N 2.74Å; M327-I366 HydrophobicContact CG-CD1 3.62Å; M327-I366 HydrophobicContact SD-CD1 3.76Å; M327-Y368 WeakPolarHBondContact CB-OH 3.49Å; M327-Y368 WeakPolarHBondContact CG-OH 3.42Å
328	K	89.6	Confident	81.5	Confident	28 Å²	28	31.9 Å²	31.9	12%	0.122	18%	0.182	C	C	.	.	H	α-helix	trans	-58.4	-45.2	175.6	-73.2	174	176.5	179.3	0	110.5	L324 D325 A330 I331 S332 L470	L324-K328 HydrophobicContact CG-CD 4.37Å; L324-K328 WeakPolarHBondContact O-CG 3.19Å; L324-K328 PolarHBondContact O-N 2.98Å; D325-K328 PolarHBondContact O-N 3.43Å; K328-A330 PolarHBondContact O-N 3.28Å; K328-I331 PolarHBondContact O-N 2.83Å; K328-S332 WeakPolarHBondContact O-CB 3.45Å; K328-S332 PolarHBondContact O-N 3.14Å; K328-S332 PolarHBondContact O-OG 2.88Å; K328-S332 VanDerWaalsContact O-OG 3.06Å; K328-L470 HydrophobicContact CB-CD1 3.62Å; K328-L470 HydrophobicContact CG-CD1 3.8Å
329	E	87.4	Confident	83.1	Confident	46 Å²	46	25.5 Å²	25.5	22%	0.215	14%	0.137	C	C	.	.	H	α-helix	trans	-59.6	-45.4	176.1	-175.8	-179.4	164.9	0	0	112.2	D325 M327 I331 S332 K333 I478	D325-E329 VanDerWaalsContact O-CB 3.28Å; D325-E329 WeakPolarHBondContact O-CB 3.33Å; D325-E329 PolarHBondContact O-N 3.01Å; M327-E329 VanDerWaalsContact C-N 3.3Å; M327-E329 PolarHBondContact O-N 3.14Å; E329-I331 PolarHBondContact O-N 3.43Å; E329-S332 PolarHBondContact O-N 3.48Å; E329-K333 HydrophobicContact CG-CD 4.28Å; E329-K333 WeakPolarHBondContact O-CG 3.26Å; E329-K333 PolarHBondContact O-N 3.37Å; E329-K333 WeakPolarHBondContact OE1-CE 3.41Å; E329-K333 IonicContact OE1-NZ 2.69Å; E329-K333 PolarHBondContact OE1-NZ 3.47Å; E329-I478 HydrophobicContact CG-CG1 4.13Å
330	A	87.9	Confident	83.4	Confident	5 Å²	5	23.8 Å²	23.8	4%	0.041	13%	0.125	C	C	.	.	H	α-helix	trans	-58.3	-46	177.3	0	0	0	0	0	112.6	P210 S326 M327 K328 L334 P374	P210-A330 HydrophobicContact CB-CB 4.32Å; P210-A330 HydrophobicContact CG-CB 3.43Å; P210-A330 VanDerWaalsContact CG-CB 3.43Å; S326-A330 WeakPolarHBondContact O-CB 3.47Å; S326-A330 PolarHBondContact O-N 3.23Å; M327-A330 WeakPolarHBondContact O-CB 3.41Å; M327-A330 PolarHBondContact O-N 3.31Å; K328-A330 PolarHBondContact O-N 3.28Å; A330-L334 PolarHBondContact O-N 2.7Å; A330-P374 HydrophobicContact CB-CB 4.47Å; A330-P374 HydrophobicContact CB-CG 4.08Å
331	I	91.5	Very high	83.4	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-67.2	-46.8	178.4	-61.5	167.7	0	0	0	110.2	A274 V276 I288 M327 K328 E329 K333 L334 L335 F364 I366 L470	A274-I331 HydrophobicContact CB-CD1 4.22Å; V276-I331 HydrophobicContact CG1-CG2 4.42Å; V276-I331 HydrophobicContact CG2-CD1 4.25Å; V276-I331 HydrophobicContact CG2-CG2 3.97Å; I288-I331 HydrophobicContact CD1-CD1 3.97Å; M327-I331 HydrophobicContact CG-CD1 4.14Å; M327-I331 WeakPolarHBondContact O-CG1 3.39Å; M327-I331 PolarHBondContact O-N 2.74Å; K328-I331 PolarHBondContact O-N 2.83Å; E329-I331 PolarHBondContact O-N 3.43Å; I331-K333 PolarHBondContact O-N 3.35Å; I331-L334 PolarHBondContact O-N 3.48Å; I331-L335 HydrophobicContact CG2-CD1 3.95Å; I331-L335 HydrophobicContact CG2-CG 4.43Å; I331-L335 WeakPolarHBondContact O-CG 3.43Å; I331-L335 PolarHBondContact O-N 3.3Å; I331-F364 HydrophobicContact CG1-CD1 4.25Å; I331-F364 HydrophobicContact CG2-CD1 4.31Å; I331-F364 HydrophobicContact CG2-CD2 4.5Å; I331-F364 HydrophobicContact CG2-CE1 3.9Å; I331-F364 HydrophobicContact CG2-CE2 4.11Å; I331-F364 HydrophobicContact CG2-CZ 3.78Å; I331-I366 HydrophobicContact CD1-CD1 3.85Å; I331-I366 HydrophobicContact CG1-CD1 4.04Å; I331-L470 HydrophobicContact CB-CD2 4.16Å; I331-L470 HydrophobicContact CG2-CD2 3.54Å
332	S	89.3	Confident	82.9	Confident	1 Å²	1	19 Å²	19	1%	0.007	10%	0.097	C	C	.	.	H	α-helix	trans	-61	-41.7	-179	-67.4	0	0	0	0	112.6	K328 E329 L334 L335 L336 L470 I478	K328-S332 WeakPolarHBondContact O-CB 3.45Å; K328-S332 PolarHBondContact O-N 3.14Å; K328-S332 PolarHBondContact O-OG 2.88Å; K328-S332 VanDerWaalsContact O-OG 3.06Å; E329-S332 PolarHBondContact O-N 3.48Å; S332-L334 VanDerWaalsContact C-N 3.33Å; S332-L334 PolarHBondContact O-N 3.38Å; S332-L335 PolarHBondContact O-N 3.13Å; S332-L336 WeakPolarHBondContact O-CB 3.31Å; S332-L336 WeakPolarHBondContact O-CD1 3.07Å; S332-L336 VanDerWaalsContact O-CG 3.32Å; S332-L336 WeakPolarHBondContact O-CG 3.34Å; S332-L336 PolarHBondContact O-N 3.04Å; S332-L470 WeakPolarHBondContact OG-CG 3.34Å; S332-L470 PolarHBondContact OG-O 3.45Å; S332-I478 VanDerWaalsContact CB-CD1 3.44Å
333	K	86	Confident	81.8	Confident	37 Å²	37	16.6 Å²	16.6	16%	0.161	9%	0.086	C	C	.	.	H	α-helix	trans	-59.4	-42.7	175.8	-76.5	179.2	-177.7	174.1	0	112.1	L209 E329 I331 L336 V337	L209-K333 HydrophobicContact CD2-CB 4.24Å; E329-K333 HydrophobicContact CG-CD 4.28Å; E329-K333 WeakPolarHBondContact O-CG 3.26Å; E329-K333 PolarHBondContact O-N 3.37Å; E329-K333 WeakPolarHBondContact OE1-CE 3.41Å; E329-K333 IonicContact OE1-NZ 2.69Å; E329-K333 PolarHBondContact OE1-NZ 3.47Å; I331-K333 PolarHBondContact O-N 3.35Å; K333-L336 PolarHBondContact O-N 3.21Å; K333-V337 WeakPolarHBondContact O-CG2 3.38Å; K333-V337 PolarHBondContact O-N 3.46Å
334	L	87.9	Confident	80.2	Confident	1 Å²	1	19.3 Å²	19.3	1%	0.005	10%	0.101	C	C	.	.	H	α-helix	trans	-67	-40.3	177.9	-74.1	174.1	0	0	0	112.6	L191 M200 L209 V211 A330 I331 S332 V337 A338 F364 V376	L191-L334 HydrophobicContact CD1-CB 3.9Å; M200-L334 HydrophobicContact CE-CD2 4.33Å; M200-L334 WeakPolarHBondContact CE-O 3.36Å; L209-L334 HydrophobicContact CB-CD2 4.43Å; L209-L334 HydrophobicContact CD1-CD2 4.24Å; L209-L334 HydrophobicContact CD2-CD2 4.38Å; V211-L334 HydrophobicContact CG2-CD1 4.25Å; V211-L334 HydrophobicContact CG2-CD2 3.8Å; A330-L334 PolarHBondContact O-N 2.7Å; I331-L334 PolarHBondContact O-N 3.48Å; S332-L334 VanDerWaalsContact C-N 3.33Å; S332-L334 PolarHBondContact O-N 3.38Å; L334-V337 PolarHBondContact O-N 3.45Å; L334-A338 PolarHBondContact O-N 3.24Å; L334-F364 HydrophobicContact CD1-CE1 4.44Å; L334-V376 HydrophobicContact CD1-CB 3.94Å; L334-V376 HydrophobicContact CD1-CG1 3.98Å; L334-V376 HydrophobicContact CD1-CG2 3.61Å
335	L	88.8	Confident	78.1	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-66.2	-38.9	176.5	-69.3	172.2	0	0	0	112.1	L191 V276 V278 L284 A286 I331 S332 A338 E339 L362 F364 L470	L191-L335 HydrophobicContact CD2-CD2 3.89Å; V276-L335 HydrophobicContact CG1-CD1 4.13Å; V278-L335 HydrophobicContact CG2-CD2 4.04Å; L284-L335 HydrophobicContact CD1-CB 4.11Å; L284-L335 HydrophobicContact CD2-CB 3.68Å; A286-L335 HydrophobicContact CB-CD1 3.73Å; I331-L335 HydrophobicContact CG2-CD1 3.95Å; I331-L335 HydrophobicContact CG2-CG 4.43Å; I331-L335 WeakPolarHBondContact O-CG 3.43Å; I331-L335 PolarHBondContact O-N 3.3Å; S332-L335 PolarHBondContact O-N 3.13Å; L335-A338 WeakPolarHBondContact O-CB 3.08Å; L335-A338 PolarHBondContact O-N 2.9Å; L335-E339 PolarHBondContact O-N 2.93Å; L335-L362 HydrophobicContact CD2-CD1 4.38Å; L335-F364 HydrophobicContact CD2-CZ 4.19Å; L335-F364 HydrophobicContact CG-CZ 4.37Å; L335-L470 HydrophobicContact CD1-CD2 4.01Å
336	L	84.3	Confident	75.8	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-62.8	-46.2	174.2	-80.4	164.2	0	0	0	112.2	L284 S332 K333 A338 E339 V340 F471 I478 M482 F485	L284-L336 HydrophobicContact CD2-CD2 4.18Å; L284-L336 HydrophobicContact CD2-CG 4.11Å; S332-L336 WeakPolarHBondContact O-CB 3.31Å; S332-L336 WeakPolarHBondContact O-CD1 3.07Å; S332-L336 VanDerWaalsContact O-CG 3.32Å; S332-L336 WeakPolarHBondContact O-CG 3.34Å; S332-L336 PolarHBondContact O-N 3.04Å; K333-L336 PolarHBondContact O-N 3.21Å; L336-A338 PolarHBondContact O-N 3.28Å; L336-E339 WeakPolarHBondContact O-CB 3.36Å; L336-E339 PolarHBondContact O-N 3.09Å; L336-E339 VanDerWaalsContact O-N 3.12Å; L336-V340 PolarHBondContact O-N 3.33Å; L336-F471 HydrophobicContact CD1-CD2 4.4Å; L336-F471 HydrophobicContact CD1-CE2 3.85Å; L336-F471 HydrophobicContact CD1-CZ 4.45Å; L336-F471 HydrophobicContact CD2-CE1 4.13Å; L336-F471 HydrophobicContact CD2-CE2 3.75Å; L336-F471 HydrophobicContact CD2-CZ 3.49Å; L336-F471 VanDerWaalsContact CD2-CZ 3.49Å; L336-F471 HydrophobicContact CG-CD2 4.47Å; L336-F471 HydrophobicContact CG-CE2 4.01Å; L336-F471 HydrophobicContact CG-CZ 4.25Å; L336-I478 HydrophobicContact CD1-CG2 4.07Å; L336-M482 HydrophobicContact CD1-CE 3.49Å; L336-M482 VanDerWaalsContact CD1-CE 3.49Å; L336-M482 HydrophobicContact CD2-CE 3.9Å; L336-M482 HydrophobicContact CD2-SD 4.49Å; L336-M482 HydrophobicContact CG-CE 4.33Å; L336-F485 HydrophobicContact CB-CZ 4.43Å; L336-F485 HydrophobicContact CD1-CE2 4.43Å
337	V	80.9	Confident	73.4	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-60.3	-36.6	174.5	179.7	0	0	0	0	110	M200 F204 L207 L209 K333 L334 V340 F341 F485	M200-V337 HydrophobicContact CB-CG1 4.04Å; M200-V337 HydrophobicContact CE-CB 3.41Å; M200-V337 VanDerWaalsContact CE-CB 3.41Å; M200-V337 HydrophobicContact CE-CG1 3.29Å; M200-V337 HydrophobicContact CG-CG1 3.91Å; M200-V337 HydrophobicContact SD-CG1 4.4Å; F204-V337 HydrophobicContact CD2-CG1 3.59Å; F204-V337 HydrophobicContact CE2-CG1 3.54Å; F204-V337 HydrophobicContact CZ-CG1 4.42Å; L207-V337 HydrophobicContact CD1-CG2 3.79Å; L209-V337 HydrophobicContact CD1-CG2 4.17Å; L209-V337 HydrophobicContact CD2-CG2 3.92Å; K333-V337 WeakPolarHBondContact O-CG2 3.38Å; K333-V337 PolarHBondContact O-N 3.46Å; L334-V337 PolarHBondContact O-N 3.45Å; V337-V340 PolarHBondContact O-N 3.41Å; V337-F341 HydrophobicContact CG1-CB 4.49Å; V337-F341 WeakPolarHBondContact O-CA 3.41Å; V337-F341 WeakPolarHBondContact O-CB 3.36Å; V337-F341 PolarHBondContact O-N 2.96Å; V337-F485 HydrophobicContact CG2-CE1 3.55Å; V337-F485 HydrophobicContact CG2-CZ 4.03Å
338	A	83.2	Confident	70.8	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-66.9	-36.7	175.7	0	0	0	0	0	112.8	Q190 M200 L334 L335 L336 S342	Q190-A338 PolarHBondContact OE1-O 3.36Å; M200-A338 HydrophobicContact CE-CB 4.45Å; L334-A338 PolarHBondContact O-N 3.24Å; L335-A338 WeakPolarHBondContact O-CB 3.08Å; L335-A338 PolarHBondContact O-N 2.9Å; L336-A338 PolarHBondContact O-N 3.28Å; A338-S342 WeakPolarHBondContact O-CB 3.46Å; A338-S342 PolarHBondContact O-N 2.83Å; A338-S342 VanDerWaalsContact O-N 3.13Å; A338-S342 PolarHBondContact O-OG 2.96Å
339	E	80.3	Confident	68.1	Low	1 Å²	1	38.1 Å²	38.1	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-61.6	-44.5	173.1	178.6	170.8	-153.6	0	0	111.9	L281 R282 P283 L284 L335 L336 S342 Y486	L281-E339 HydrophobicContact CD1-CB 4.28Å; L281-E339 HydrophobicContact CG-CB 4.47Å; L281-E339 VanDerWaalsContact O-CG 3.24Å; L281-E339 WeakPolarHBondContact O-CG 3.18Å; L281-E339 VanDerWaalsContact O-OE1 3.08Å; R282-E339 HydrophobicContact CG-CG 4.14Å; P283-E339 VanDerWaalsContact CA-OE1 3.31Å; P283-E339 WeakPolarHBondContact CA-OE1 3.14Å; L284-E339 WeakPolarHBondContact CB-OE2 3.39Å; L284-E339 PolarHBondContact N-OE1 3.34Å; L284-E339 VanDerWaalsContact N-OE1 3.09Å; L284-E339 PolarHBondContact N-OE2 3.26Å; L335-E339 PolarHBondContact O-N 2.93Å; L336-E339 WeakPolarHBondContact O-CB 3.36Å; L336-E339 PolarHBondContact O-N 3.09Å; L336-E339 VanDerWaalsContact O-N 3.12Å; E339-S342 PolarHBondContact O-OG 3.49Å; E339-Y486 PolarHBondContact OE2-OH 3.31Å
340	V	75.1	Confident	65.7	Low	4 Å²	4	45.6 Å²	45.6	2%	0.024	26%	0.259	C	S	.	.	H	α-helix	trans	-75.7	-42.4	180	176.5	0	0	0	0	112	L336 V337 S342 E343 F485 A489	L336-V340 PolarHBondContact O-N 3.33Å; V337-V340 PolarHBondContact O-N 3.41Å; V340-S342 VanDerWaalsContact C-N 3.28Å; V340-S342 PolarHBondContact O-N 3.47Å; V340-E343 VanDerWaalsContact O-CB 3.23Å; V340-E343 WeakPolarHBondContact O-CB 3.08Å; V340-E343 PolarHBondContact O-N 3.36Å; V340-F485 HydrophobicContact CG2-CB 4.49Å; V340-F485 HydrophobicContact CG2-CD1 4.42Å; V340-A489 HydrophobicContact CG1-CB 4.38Å
341	F	68.8	Low	63.4	Low	30 Å²	30	49.2 Å²	49.2	13%	0.132	28%	0.281	C	S	.	.	H	α-helix	trans	-69.8	-27.7	-176.3	-161.9	-110	0	0	0	111.8	Q190 Q199 M200 R203 F204 V337 E343 T344	Q190-F341 HydrophobicContact CG-CD1 4Å; Q190-F341 PolarHBondContact NE2-O 2.96Å; Q199-F341 HydrophobicContact CB-CZ 4.31Å; M200-F341 HydrophobicContact CG-CD1 4.44Å; R203-F341 HydrophobicContact CB-CE2 4.31Å; R203-F341 HydrophobicContact CG-CE2 4.16Å; F204-F341 AromaticContact CE2-CD2 3.86Å; F204-F341 HydrophobicContact CE2-CD2 3.86Å; F204-F341 HydrophobicContact CZ-CD2 4.39Å; V337-F341 HydrophobicContact CG1-CB 4.49Å; V337-F341 WeakPolarHBondContact O-CA 3.41Å; V337-F341 WeakPolarHBondContact O-CB 3.36Å; V337-F341 PolarHBondContact O-N 2.96Å; F341-E343 PolarHBondContact O-N 3.46Å; F341-E343 VanDerWaalsContact O-N 3.16Å; F341-T344 PolarHBondContact O-N 3.34Å; F341-T344 PolarHBondContact O-OG1 2.86Å
342	S	61.3	Low	61.2	Low	6 Å²	6	53.1 Å²	53.1	4%	0.042	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-10.1	170.5	56.3	0	0	0	0	113.6	R282 A338 E339 V340	R282-S342 VanDerWaalsContact NH2-CB 3.31Å; R282-S342 PolarHBondContact NH2-O 3.1Å; R282-S342 PolarHBondContact NH2-OG 3.34Å; A338-S342 WeakPolarHBondContact O-CB 3.46Å; A338-S342 PolarHBondContact O-N 2.83Å; A338-S342 VanDerWaalsContact O-N 3.13Å; A338-S342 PolarHBondContact O-OG 2.96Å; E339-S342 PolarHBondContact O-OG 3.49Å; V340-S342 VanDerWaalsContact C-N 3.28Å; V340-S342 PolarHBondContact O-N 3.47Å
343	E	53.1	Low	59.5	Low	71 Å²	71	55.5 Å²	55.5	33%	0.332	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-22.5	176.3	-155.1	177	173.7	0	0	112.6	R282 V340 F341 A489	R282-E343 VanDerWaalsContact NH2-N 3.1Å; V340-E343 VanDerWaalsContact O-CB 3.23Å; V340-E343 WeakPolarHBondContact O-CB 3.08Å; V340-E343 PolarHBondContact O-N 3.36Å; F341-E343 PolarHBondContact O-N 3.46Å; F341-E343 VanDerWaalsContact O-N 3.16Å; E343-A489 WeakPolarHBondContact OE2-CB 3.44Å
344	T	46.1	Very low	58.3	Low	64 Å²	64	56.6 Å²	56.6	39%	0.393	31%	0.312	S	S	.	.			trans	-109.3	6.9	-165.2	56.2	0	0	0	0	115.6	F341 T346	F341-T344 PolarHBondContact O-N 3.34Å; F341-T344 PolarHBondContact O-OG1 2.86Å; T344-T346 PolarHBondContact O-N 2.79Å
345	S	40.5	Very low	57.5	Low	57 Å²	57	57.2 Å²	57.2	40%	0.399	32%	0.317	S	S	.	.			trans	-64.6	108.2	-179	67.4	0	0	0	0	111.9	L347	S345-L347 VanDerWaalsContact C-N 3.34Å; S345-L347 PolarHBondContact O-N 2.82Å
346	T	35.8	Very low	56.8	Low	136 Å²	136	60.8 Å²	60.8	83%	0.834	33%	0.33	S	S	*	.			trans	-83.6	4.1	-173.9	44	0	0	0	0	115.1	T344	T344-T346 PolarHBondContact O-N 2.79Å
347	L	35.2	Very low	56.6	Low	168 Å²	168	62.3 Å²	62.3	88%	0.88	34%	0.337	S	S	*	.	S	Bend	trans	-132.8	85.1	-176	-87.2	143.4	0	0	0	111.1	S345	S345-L347 VanDerWaalsContact C-N 3.34Å; S345-L347 PolarHBondContact O-N 2.82Å
348	G	33.1	Very low	56.8	Low	48 Å²	48	62.4 Å²	62.4	50%	0.495	34%	0.338	S	S	.	.	S	Bend	trans	145.7	153.7	175.5	0	0	0	0	0	112.1	K350	G348-K350 PolarHBondContact O-N 2.94Å
349	P	33.4	Very low	57.2	Low	126 Å²	126	62.7 Å²	62.7	82%	0.818	34%	0.339	S	S	*	.			trans	-54.6	126.5	-172	22	-30.7	0	0	0	110.8	T351	P349-T351 VanDerWaalsContact C-N 3.34Å; P349-T351 PolarHBondContact O-N 3.48Å
350	K	38	Very low	57.7	Low	202 Å²	202	62.8 Å²	62.8	88%	0.878	34%	0.34	S	S	*	.	S	Bend	trans	-63.9	85.3	-177.4	-65.2	177.9	177.2	-177.8	0	110.7	G348	G348-K350 PolarHBondContact O-N 2.94Å
351	T	39.7	Very low	58.5	Low	82 Å²	82	63.6 Å²	63.6	50%	0.503	34%	0.344	S	S	.	.			trans	174.2	85.8	153.4	41.2	0	0	0	0	108.6	P349 H353	P349-T351 VanDerWaalsContact C-N 3.34Å; P349-T351 PolarHBondContact O-N 3.48Å; T351-H353 VanDerWaalsContact C-N 3.31Å; T351-H353 PolarHBondContact O-CD2 2.94Å; T351-H353 VanDerWaalsContact O-CD2 3.22Å; T351-H353 PolarHBondContact O-N 3.34Å; T351-H353 PolarHBondContact OG1-NE2 2.93Å
352	F	43.6	Very low	59.6	Low	82 Å²	82	62.1 Å²	62.1	36%	0.36	34%	0.337	S	S	.	.			trans	-66.1	103.5	153.4	-71.7	-73.7	0	0	0	106.1	E186 R354	E186-F352 HydrophobicContact CG-CB 4.45Å; F352-R354 PolarHBondContact O-N 3.05Å; F352-R354 VanDerWaalsContact O-N 3.15Å
353	H	53.6	Low	61.1	Low	51 Å²	51	61.9 Å²	61.9	24%	0.236	34%	0.335	C	S	.	.			trans	-66.9	116.2	176.9	-61	-88.5	0	0	0	107.8	C61 C173 T351 C355	C61-H353 WeakPolarHBondContact CB-NE2 3.48Å; C61-H353 PolarHBondContact O-CE1 3.16Å; C61-H353 PolarHBondContact O-ND1 3.45Å; C173-H353 HydrophobicContact CB-CB 3.53Å; C173-H353 WeakPolarHBondContact SG-CB 3.26Å; C173-H353 PolarHBondContact SG-CD2 2.95Å; T351-H353 VanDerWaalsContact C-N 3.31Å; T351-H353 PolarHBondContact O-CD2 2.94Å; T351-H353 VanDerWaalsContact O-CD2 3.22Å; T351-H353 PolarHBondContact O-N 3.34Å; T351-H353 PolarHBondContact OG1-NE2 2.93Å; H353-C355 PolarHBondContact O-N 2.85Å
354	R	61.8	Low	62.9	Low	60 Å²	60	58.5 Å²	58.5	23%	0.226	32%	0.32	C	S	.	.			trans	-44.5	121.3	178.2	179.9	-174.2	-175.6	-165.1	4	110.3	R282 F352 R356 E449	R282-R354 HydrophobicContact CB-CG 4.48Å; R282-R354 PolarHBondContact O-NE 2.84Å; R282-R354 PolarHBondContact O-NH2 2.56Å; F352-R354 PolarHBondContact O-N 3.05Å; F352-R354 VanDerWaalsContact O-N 3.15Å; R354-R356 PolarHBondContact O-N 2.7Å; R354-E449 IonicContact CZ-OE1 2.73Å; R354-E449 VanDerWaalsContact CZ-OE1 3.27Å; R354-E449 IonicContact NE-OE1 2.99Å; R354-E449 IonicContact NH1-OE1 3.26Å; R354-E449 PolarHBondContact NH1-OE1 2.96Å
355	C	71.4	Confident	65	Low	14 Å²	14	56.2 Å²	56.2	10%	0.095	31%	0.305	C	S	.	.			trans	-70.8	121.3	168.3	-172.3	0	0	0	0	110.9	I172 H353 C358	I172-C355 HydrophobicContact CG2-CB 3.93Å; H353-C355 PolarHBondContact O-N 2.85Å; C355-C358 HydrophobicContact CB-CB 3.65Å; C355-C358 WeakPolarHBondContact CB-SG 3.48Å; C355-C358 WeakPolarHBondContact SG-CB 3.32Å; C355-C358 PolarHBondContact SG-N 3.47Å; C355-C358 VanDerWaalsContact SG-N 3.44Å; C355-C358 CovalentContact SG-SG 1.98Å; C355-C358 PolarHBondContact SG-SG 3.35Å
356	R	73.6	Confident	67.4	Low	75 Å²	75	53.5 Å²	53.5	28%	0.283	29%	0.286	S	S	.	.	S	Bend	trans	-83.6	-34.8	-173.3	-59	-176.9	-172.4	-158.9	-4.6	113.8	D68 L177 R354 E449	D68-R356 IonicContact OD1-CZ 3.49Å; D68-R356 IonicContact OD1-NH1 3.45Å; D68-R356 PolarHBondContact OD1-NH1 3.36Å; D68-R356 IonicContact OD1-NH2 2.78Å; D68-R356 IonicContact OD2-CZ 2.7Å; D68-R356 IonicContact OD2-NH1 3.28Å; D68-R356 PolarHBondContact OD2-NH1 2.72Å; D68-R356 IonicContact OD2-NH2 3.67Å; D68-R356 PolarHBondContact OD2-NH2 3.35Å; L177-R356 VanDerWaalsContact CD2-NH1 3.29Å; R354-R356 PolarHBondContact O-N 2.7Å; R356-E449 IonicContact CZ-OE2 2.79Å; R356-E449 VanDerWaalsContact CZ-OE2 3.24Å; R356-E449 IonicContact NE-OE2 2.59Å; R356-E449 PolarHBondContact NE-OE2 3.1Å; R356-E449 IonicContact NH1-OE2 3.03Å; R356-E449 PolarHBondContact NH1-OE2 3.04Å; R356-E449 IonicContact NH2-OE2 2.96Å
357	Q	79.5	Confident	69.7	Low	31 Å²	31	47 Å²	47	15%	0.145	25%	0.246	C	C	.	.	S	Bend	trans	-129.4	57.5	179.3	-70.8	-158.1	-10.4	0	0	109.8	L177 H178 Q179 K180 I181 H452	L177-Q357 PolarHBondContact O-NE2 2.87Å; L177-Q357 VanDerWaalsContact O-NE2 3.12Å; L177-Q357 PolarHBondContact O-OE1 3.29Å; H178-Q357 PolarHBondContact O-OE1 3.02Å; Q179-Q357 WeakPolarHBondContact O-CB 3.49Å; K180-Q357 CarbonylContact C-O 3.54Å; K180-Q357 WeakPolarHBondContact CA-O 3.43Å; K180-Q357 HydrophobicContact CB-CB 4.27Å; K180-Q357 HydrophobicContact CG-CB 4.16Å; K180-Q357 VanDerWaalsContact CG-O 3.23Å; K180-Q357 WeakPolarHBondContact CG-O 3.29Å; I181-Q357 PolarHBondContact N-O 3.02Å; Q357-H452 PolarHBondContact NE2-CE1 3.44Å; Q357-H452 VanDerWaalsContact NE2-CE1 3.29Å; Q357-H452 PolarHBondContact NE2-NE2 2.87Å
358	C	86.5	Confident	71.9	Confident	3 Å²	3	39 Å²	39	2%	0.02	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-104.5	151.7	171	-79.2	0	0	0	0	110.6	I181 V183 L184 T279 C355	I181-C358 HydrophobicContact CG2-CB 4.34Å; I181-C358 WeakPolarHBondContact CG2-SG 3.47Å; I181-C358 CarbonylContact O-C 3.47Å; I181-C358 VanDerWaalsContact O-CA 3.3Å; I181-C358 WeakPolarHBondContact O-CA 3.46Å; V183-C358 PolarHBondContact O-SG 3Å; L184-C358 HydrophobicContact CD2-CB 3.29Å; L184-C358 HydrophobicContact CG-CB 3.89Å; T279-C358 CarbonylContact C-O 3.57Å; C355-C358 HydrophobicContact CB-CB 3.65Å; C355-C358 WeakPolarHBondContact CB-SG 3.48Å; C355-C358 WeakPolarHBondContact SG-CB 3.32Å; C355-C358 PolarHBondContact SG-N 3.47Å; C355-C358 VanDerWaalsContact SG-N 3.44Å; C355-C358 CovalentContact SG-SG 1.98Å; C355-C358 PolarHBondContact SG-SG 3.35Å
359	F	91.2	Very high	73.6	Confident	6 Å²	6	37.6 Å²	37.6	3%	0.026	19%	0.189	C	C	.	.			trans	-141	157.1	164.7	64.5	-80.9	0	0	0	108.5	L152 I154 K180 I181 N182 V183 L277 V278 L410 F411	L152-F359 HydrophobicContact CD1-CE1 3.96Å; L152-F359 HydrophobicContact CD1-CZ 4.29Å; I154-F359 HydrophobicContact CD1-CZ 3.89Å; K180-F359 HydrophobicContact CD-CD1 3.9Å; K180-F359 HydrophobicContact CD-CE1 3.97Å; K180-F359 VanDerWaalsContact CE-CD1 3.43Å; K180-F359 HydrophobicContact CG-CD1 3.79Å; K180-F359 HydrophobicContact CG-CE1 3.87Å; I181-F359 VanDerWaalsContact O-CD1 3.28Å; I181-F359 WeakPolarHBondContact O-CD1 3.3Å; I181-F359 PolarHBondContact O-N 3.4Å; N182-F359 CarbonylContact C-O 3.33Å; N182-F359 WeakPolarHBondContact CA-O 3.32Å; N182-F359 HydrophobicContact CB-CD2 4.2Å; N182-F359 HydrophobicContact CB-CE1 4.08Å; N182-F359 HydrophobicContact CB-CE2 3.59Å; N182-F359 HydrophobicContact CB-CZ 3.54Å; N182-F359 VanDerWaalsContact O-O 3.12Å; V183-F359 PolarHBondContact N-O 2.76Å; L277-F359 HydrophobicContact CD1-CB 4.43Å; L277-F359 HydrophobicContact CD1-CD2 4.16Å; V278-F359 CarbonylContact O-C 3.5Å; V278-F359 WeakPolarHBondContact O-CA 3.47Å; F359-L410 HydrophobicContact CB-CD1 4.33Å; F359-L410 HydrophobicContact CB-CD2 4.29Å; F359-L410 HydrophobicContact CD1-CD1 4.1Å; F359-L410 HydrophobicContact CD2-CD1 3.27Å; F359-L410 HydrophobicContact CE1-CD1 4.18Å; F359-L410 HydrophobicContact CE2-CD1 3.37Å; F359-L410 HydrophobicContact CG-CD1 3.64Å; F359-L410 HydrophobicContact CG-CD2 4.39Å; F359-L410 HydrophobicContact CZ-CD1 3.83Å; F359-F411 HydrophobicContact CZ-CZ 4.47Å
360	Q	90.1	Very high	74.9	Confident	2 Å²	2	37.4 Å²	37.4	1%	0.009	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	131.7	175	-166.5	166.9	-3.2	0	0	110.2	L184 V278 L362 E381	L184-Q360 HydrophobicContact CB-CB 4.43Å; L184-Q360 VanDerWaalsContact CB-OE1 3.31Å; L184-Q360 HydrophobicContact CD1-CB 3.88Å; L184-Q360 HydrophobicContact CG-CB 4.18Å; L184-Q360 PolarHBondContact O-OE1 3.22Å; V278-Q360 PolarHBondContact N-O 2.98Å; V278-Q360 PolarHBondContact O-N 3.02Å; Q360-L362 HydrophobicContact CG-CD2 3.83Å; Q360-L362 HydrophobicContact CG-CG 4.39Å; Q360-E381 PolarHBondContact NE2-O 3.1Å
361	L	92.3	Very high	76	Confident	21 Å²	21	31.4 Å²	31.4	11%	0.11	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	103.7	174.8	-176.8	64.2	0	0	0	108.9	L277 L383	L277-L361 HydrophobicContact CB-CD1 4.14Å; L277-L361 HydrophobicContact CD1-CB 4.37Å; L361-L383 HydrophobicContact CD2-CB 4.19Å; L361-L383 HydrophobicContact CD2-CD1 4.1Å; L361-L383 HydrophobicContact CD2-CD2 4.11Å; L361-L383 HydrophobicContact CD2-CG 4.37Å
362	L	91.9	Very high	77.3	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	151.5	-178.3	-58.4	172.7	0	0	0	110.8	I187 L191 Y275 V276 V278 L335 Q360 F364 V379	I187-L362 HydrophobicContact CD1-CD1 4.26Å; I187-L362 HydrophobicContact CG2-CD1 4.03Å; I187-L362 HydrophobicContact CG2-CD2 4.23Å; L191-L362 HydrophobicContact CD2-CD1 4.17Å; Y275-L362 WeakPolarHBondContact CA-O 3.37Å; V276-L362 PolarHBondContact N-O 3.4Å; V276-L362 PolarHBondContact O-N 3Å; V278-L362 HydrophobicContact CG2-CD1 3.86Å; L335-L362 HydrophobicContact CD2-CD1 4.38Å; Q360-L362 HydrophobicContact CG-CD2 3.83Å; Q360-L362 HydrophobicContact CG-CG 4.39Å; L362-F364 HydrophobicContact CB-CD2 4.3Å; L362-F364 HydrophobicContact CB-CE2 3.94Å; L362-F364 HydrophobicContact CD1-CE2 4.1Å; L362-V379 HydrophobicContact CB-CG1 4.4Å
363	T	92	Very high	78.9	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	118	171.3	-48.1	0	0	0	0	109.6	K273 Y275 V379 H380 H382 K384	K273-T363 HydrophobicContact CB-CG2 3.99Å; K273-T363 HydrophobicContact CD-CG2 4.13Å; K273-T363 HydrophobicContact CG-CG2 4.49Å; Y275-T363 HydrophobicContact CD1-CG2 3.96Å; Y275-T363 HydrophobicContact CE1-CG2 3.73Å; T363-V379 CarbonylContact O-C 3.54Å; T363-V379 WeakPolarHBondContact O-CA 3.16Å; T363-H380 PolarHBondContact N-O 3.39Å; T363-H380 PolarHBondContact O-CD2 2.82Å; T363-H380 PolarHBondContact O-N 3.24Å; T363-H382 PolarHBondContact OG1-O 3.05Å; T363-H382 VanDerWaalsContact OG1-O 3.1Å; T363-K384 PolarHBondContact OG1-N 3.47Å
364	F	92.6	Very high	80.5	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	121.1	176.7	-77.5	-108.9	0	0	0	109.9	L191 K273 A274 V276 I331 L334 L335 L362 I366 V376 V379	L191-F364 HydrophobicContact CD2-CE1 4.36Å; L191-F364 HydrophobicContact CD2-CZ 3.8Å; K273-F364 CarbonylContact C-O 3.57Å; K273-F364 VanDerWaalsContact CA-O 3.26Å; K273-F364 WeakPolarHBondContact CA-O 3.48Å; A274-F364 HydrophobicContact CB-CB 4.4Å; A274-F364 PolarHBondContact N-O 2.73Å; A274-F364 PolarHBondContact O-N 2.68Å; V276-F364 HydrophobicContact CB-CD2 4Å; V276-F364 HydrophobicContact CB-CE2 3.83Å; V276-F364 HydrophobicContact CG1-CE2 4.29Å; V276-F364 HydrophobicContact CG2-CD2 3.61Å; V276-F364 HydrophobicContact CG2-CE2 3.81Å; V276-F364 HydrophobicContact CG2-CG 4.48Å; I331-F364 HydrophobicContact CG1-CD1 4.25Å; I331-F364 HydrophobicContact CG2-CD1 4.31Å; I331-F364 HydrophobicContact CG2-CD2 4.5Å; I331-F364 HydrophobicContact CG2-CE1 3.9Å; I331-F364 HydrophobicContact CG2-CE2 4.11Å; I331-F364 HydrophobicContact CG2-CZ 3.78Å; L334-F364 HydrophobicContact CD1-CE1 4.44Å; L335-F364 HydrophobicContact CD2-CZ 4.19Å; L335-F364 HydrophobicContact CG-CZ 4.37Å; L362-F364 HydrophobicContact CB-CD2 4.3Å; L362-F364 HydrophobicContact CB-CE2 3.94Å; L362-F364 HydrophobicContact CD1-CE2 4.1Å; F364-I366 HydrophobicContact CB-CD1 4.25Å; F364-I366 HydrophobicContact CB-CG1 4.13Å; F364-V376 HydrophobicContact CD1-CG1 4.36Å; F364-V379 HydrophobicContact CD1-CG1 4.32Å; F364-V379 HydrophobicContact CD1-CG2 3.58Å; F364-V379 HydrophobicContact CD2-CG1 4.07Å; F364-V379 HydrophobicContact CE1-CG1 4.16Å; F364-V379 HydrophobicContact CE1-CG2 3.59Å; F364-V379 HydrophobicContact CE2-CG1 3.89Å; F364-V379 HydrophobicContact CG-CG1 4.29Å; F364-V379 HydrophobicContact CG-CG2 4.2Å; F364-V379 HydrophobicContact CZ-CG1 3.96Å; F364-V379 HydrophobicContact CZ-CG2 4.21Å
365	D	89.9	Confident	81.7	Confident	16 Å²	16	27.3 Å²	27.3	9%	0.086	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	113.3	170.3	-68.8	-7.7	0	0	0	108.9	I271 K273 L377 Q378 H380	I271-D365 HydrophobicContact CG2-CB 4.21Å; K273-D365 WeakPolarHBondContact CE-OD1 3.5Å; K273-D365 WeakPolarHBondContact CG-OD1 3.17Å; D365-L377 HydrophobicContact CB-CB 4.32Å; D365-L377 PolarHBondContact O-N 3.32Å; D365-Q378 HydrophobicContact CB-CB 4.37Å; D365-Q378 PolarHBondContact N-O 3.45Å; D365-H380 VanDerWaalsContact CG-NE2 3.28Å; D365-H380 IonicContact OD1-CD2 2.75Å; D365-H380 IonicContact OD1-NE2 3.61Å; D365-H380 PolarHBondContact OD1-NE2 3.4Å; D365-H380 IonicContact OD2-CD2 2.67Å; D365-H380 IonicContact OD2-CE1 3.24Å; D365-H380 IonicContact OD2-NE2 2.78Å; D365-H380 PolarHBondContact OD2-NE2 3.13Å
366	I	89.5	Confident	82.5	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	115.1	-173.7	-52.9	177.5	0	0	0	108.8	I271 L272 A274 M327 I331 F364 Y368 P374 V375	I271-I366 CarbonylContact C-O 3.56Å; I271-I366 WeakPolarHBondContact CA-O 3.08Å; L272-I366 PolarHBondContact N-O 2.7Å; L272-I366 PolarHBondContact O-N 2.04Å; A274-I366 HydrophobicContact CB-CD1 4.04Å; M327-I366 HydrophobicContact CG-CD1 3.62Å; M327-I366 HydrophobicContact SD-CD1 3.76Å; I331-I366 HydrophobicContact CD1-CD1 3.85Å; I331-I366 HydrophobicContact CG1-CD1 4.04Å; F364-I366 HydrophobicContact CB-CD1 4.25Å; F364-I366 HydrophobicContact CB-CG1 4.13Å; I366-Y368 HydrophobicContact CB-CE2 4.31Å; I366-Y368 HydrophobicContact CG2-CD2 4.4Å; I366-Y368 HydrophobicContact CG2-CE2 3.68Å; I366-P374 HydrophobicContact CG2-CB 3.73Å; I366-V375 CarbonylContact C-O 3.59Å; I366-V375 WeakPolarHBondContact CA-O 3.17Å
367	G	84.9	Confident	83	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	140.9	174.9	0	0	0	0	0	112	V270 V375	V270-G367 WeakPolarHBondContact O-CA 3.33Å; G367-V375 PolarHBondContact N-O 3.32Å; G367-V375 PolarHBondContact O-N 3.09Å
368	Y	81.5	Confident	83.3	Confident	1 Å²	1	26.3 Å²	26.3	0%	0.004	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	124.7	169.6	-68.6	-90.6	0	0	0	109.5	S269 V270 L272 F310 F311 L315 M327 I366 P374	S269-Y368 PolarHBondContact N-O 3.2Å; V270-Y368 PolarHBondContact N-O 3.02Å; V270-Y368 PolarHBondContact O-N 3.44Å; L272-Y368 HydrophobicContact CB-CD2 4.49Å; L272-Y368 HydrophobicContact CB-CE2 4.09Å; L272-Y368 HydrophobicContact CD2-CE2 4.14Å; F310-Y368 HydrophobicContact CE1-CD2 4.27Å; F310-Y368 HydrophobicContact CE1-CE2 4.01Å; F310-Y368 HydrophobicContact CZ-CD2 4.37Å; F311-Y368 AromaticContact CE1-CE1 3.84Å; F311-Y368 HydrophobicContact CE1-CE1 3.84Å; F311-Y368 AromaticContact CE1-CZ 3.65Å; F311-Y368 VanDerWaalsContact CE1-OH 3.3Å; F311-Y368 WeakPolarHBondContact CE1-OH 3.49Å; F311-Y368 AromaticContact CZ-CZ 3.89Å; F311-Y368 WeakPolarHBondContact CZ-OH 3.44Å; L315-Y368 HydrophobicContact CD1-CD1 3.5Å; L315-Y368 VanDerWaalsContact CD1-CD1 3.5Å; L315-Y368 HydrophobicContact CD1-CD2 4.1Å; L315-Y368 HydrophobicContact CD1-CE1 3.62Å; L315-Y368 HydrophobicContact CD1-CE2 4.21Å; L315-Y368 HydrophobicContact CD1-CG 3.75Å; L315-Y368 HydrophobicContact CD2-CD1 3.96Å; L315-Y368 HydrophobicContact CD2-CG 3.8Å; L315-Y368 HydrophobicContact CG-CD1 4.42Å; L315-Y368 HydrophobicContact CG-CG 4.44Å; M327-Y368 WeakPolarHBondContact CB-OH 3.49Å; M327-Y368 WeakPolarHBondContact CG-OH 3.42Å; I366-Y368 HydrophobicContact CB-CE2 4.31Å; I366-Y368 HydrophobicContact CG2-CD2 4.4Å; I366-Y368 HydrophobicContact CG2-CE2 3.68Å; Y368-P374 HydrophobicContact CE1-CB 3.8Å
369	G	68.9	Low	83.4	Confident	17 Å²	17	26.1 Å²	26.1	18%	0.175	15%	0.148	C	C	.	.			trans	-100.8	-169.8	167.5	0	0	0	0	0	111.9	E267 S371 G372	E267-G369 WeakPolarHBondContact O-CA 3.4Å; G369-S371 PolarHBondContact O-N 2.73Å; G369-S371 VanDerWaalsContact O-N 3.09Å; G369-G372 PolarHBondContact O-N 3.23Å
370	D	60.9	Low	83.2	Confident	123 Å²	123	26.8 Å²	26.8	66%	0.658	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-22.6	-172.9	-65.9	-14.6	0	0	0	114.5	G372	D370-G372 VanDerWaalsContact C-N 3.27Å; D370-G372 PolarHBondContact O-N 3.47Å
371	S	61.2	Low	82.7	Confident	75 Å²	75	28.7 Å²	28.7	52%	0.524	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-9.8	176	65	0	0	0	0	114.7	G369 H373	G369-S371 PolarHBondContact O-N 2.73Å; G369-S371 VanDerWaalsContact O-N 3.09Å; S371-H373 PolarHBondContact O-N 3.31Å; S371-H373 VanDerWaalsContact O-N 3.16Å
372	G	67.1	Low	81.9	Confident	13 Å²	13	30.2 Å²	30.2	13%	0.134	17%	0.166	C	C	.	.			trans	71.1	1.3	179.9	0	0	0	0	0	115.6	G369 D370	G369-G372 PolarHBondContact O-N 3.23Å; D370-G372 VanDerWaalsContact C-N 3.27Å; D370-G372 PolarHBondContact O-N 3.47Å
373	H	76.4	Confident	81.4	Confident	124 Å²	124	31.8 Å²	31.8	57%	0.574	17%	0.174	S	C	*	.			trans	-81.6	137.9	176.7	-69.7	-60.3	0	0	0	112.3	S371	S371-H373 PolarHBondContact O-N 3.31Å; S371-H373 VanDerWaalsContact O-N 3.16Å
374	P	87.1	Confident	80.6	Confident	11 Å²	11	35.4 Å²	35.4	7%	0.071	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	135.2	178.6	28.8	-33.2	0	0	0	111.2	P210 A330 I366 Y368	P210-P374 WeakPolarHBondContact CB-O 3.2Å; A330-P374 HydrophobicContact CB-CB 4.47Å; A330-P374 HydrophobicContact CB-CG 4.08Å; I366-P374 HydrophobicContact CG2-CB 3.73Å; Y368-P374 HydrophobicContact CE1-CB 3.8Å
375	V	86.4	Confident	79.4	Confident	42 Å²	42	35.6 Å²	35.6	26%	0.255	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	121.3	172.7	-176.6	0	0	0	0	109.6	P210 S212 I366 G367 L377	P210-V375 CarbonylContact O-C 3.53Å; P210-V375 WeakPolarHBondContact O-CA 3.32Å; S212-V375 VanDerWaalsContact CA-CG1 3.46Å; S212-V375 VanDerWaalsContact N-CG1 3.25Å; I366-V375 CarbonylContact C-O 3.59Å; I366-V375 WeakPolarHBondContact CA-O 3.17Å; G367-V375 PolarHBondContact N-O 3.32Å; G367-V375 PolarHBondContact O-N 3.09Å; V375-L377 PolarHBondContact O-N 2.74Å
376	V	88.2	Confident	78.3	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	125.2	177.5	-178.2	0	0	0	0	110	P210 V211 S212 L334 F364 V379	P210-V376 PolarHBondContact O-N 2.58Å; V211-V376 WeakPolarHBondContact CA-O 3.3Å; S212-V376 PolarHBondContact N-O 2.84Å; L334-V376 HydrophobicContact CD1-CB 3.94Å; L334-V376 HydrophobicContact CD1-CG1 3.98Å; L334-V376 HydrophobicContact CD1-CG2 3.61Å; F364-V376 HydrophobicContact CD1-CG1 4.36Å; V376-V379 HydrophobicContact CG1-CG2 4.01Å
377	L	84.6	Confident	76.7	Confident	28 Å²	28	39.6 Å²	39.6	15%	0.147	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	-43.1	-178.9	-54.7	179.4	0	0	0	111.4	V215 L268 I271 D365 V375	V215-L377 WeakPolarHBondContact CG2-O 3.26Å; L268-L377 HydrophobicContact CD1-CD1 4.06Å; L268-L377 HydrophobicContact CD1-CD2 3.8Å; I271-L377 HydrophobicContact CD1-CD1 3.65Å; I271-L377 HydrophobicContact CG1-CD1 3.76Å; I271-L377 HydrophobicContact CG2-CD1 4.12Å; D365-L377 HydrophobicContact CB-CB 4.32Å; D365-L377 PolarHBondContact O-N 3.32Å; V375-L377 PolarHBondContact O-N 2.74Å
378	Q	86.4	Confident	75.1	Confident	70 Å²	70	44.5 Å²	44.5	33%	0.327	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	150.2	179.9	-173	167.1	2.6	0	0	110.3	D365 H380	D365-Q378 HydrophobicContact CB-CB 4.37Å; D365-Q378 PolarHBondContact N-O 3.45Å; Q378-H380 VanDerWaalsContact CD-CE1 3.44Å
379	V	88.8	Confident	73.3	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	121.7	168.7	-171.9	0	0	0	0	108.5	L191 C192 L362 T363 F364 V376	L191-V379 HydrophobicContact CD1-CG2 4.24Å; L191-V379 HydrophobicContact CD2-CG1 3.92Å; L191-V379 HydrophobicContact CD2-CG2 4.47Å; L191-V379 HydrophobicContact CG-CB 4.07Å; L191-V379 HydrophobicContact CG-CG1 4Å; L191-V379 HydrophobicContact CG-CG2 3.94Å; C192-V379 VanDerWaalsContact CA-O 3.3Å; C192-V379 WeakPolarHBondContact CA-O 3.4Å; L362-V379 HydrophobicContact CB-CG1 4.4Å; T363-V379 CarbonylContact O-C 3.54Å; T363-V379 WeakPolarHBondContact O-CA 3.16Å; F364-V379 HydrophobicContact CD1-CG1 4.32Å; F364-V379 HydrophobicContact CD1-CG2 3.58Å; F364-V379 HydrophobicContact CD2-CG1 4.07Å; F364-V379 HydrophobicContact CE1-CG1 4.16Å; F364-V379 HydrophobicContact CE1-CG2 3.59Å; F364-V379 HydrophobicContact CE2-CG1 3.89Å; F364-V379 HydrophobicContact CG-CG1 4.29Å; F364-V379 HydrophobicContact CG-CG2 4.2Å; F364-V379 HydrophobicContact CZ-CG1 3.96Å; F364-V379 HydrophobicContact CZ-CG2 4.21Å; V376-V379 HydrophobicContact CG1-CG2 4.01Å
380	H	85.6	Confident	72.2	Confident	19 Å²	19	58.5 Å²	58.5	9%	0.088	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	136.1	177.7	-54.6	-83.3	0	0	0	109.9	T363 D365 Q378 H382 K384	T363-H380 PolarHBondContact N-O 3.39Å; T363-H380 PolarHBondContact O-CD2 2.82Å; T363-H380 PolarHBondContact O-N 3.24Å; D365-H380 VanDerWaalsContact CG-NE2 3.28Å; D365-H380 IonicContact OD1-CD2 2.75Å; D365-H380 IonicContact OD1-NE2 3.61Å; D365-H380 PolarHBondContact OD1-NE2 3.4Å; D365-H380 IonicContact OD2-CD2 2.67Å; D365-H380 IonicContact OD2-CE1 3.24Å; D365-H380 IonicContact OD2-NE2 2.78Å; D365-H380 PolarHBondContact OD2-NE2 3.13Å; Q378-H380 VanDerWaalsContact CD-CE1 3.44Å; H380-H382 PolarHBondContact O-N 3.24Å; H380-K384 HydrophobicContact CB-CB 4.21Å; H380-K384 WeakPolarHBondContact ND1-CD 3.19Å
381	E	79.5	Confident	71.5	Confident	42 Å²	42	60.7 Å²	60.7	20%	0.196	31%	0.305	C	S	.	.	S	Bend	trans	-64.5	-24.9	-179.9	-171.2	-178.7	-178.7	0	0	112.9	Q188 C192 Q360	Q188-E381 VanDerWaalsContact CG-CD 3.48Å; Q188-E381 HydrophobicContact CG-CG 4.26Å; Q188-E381 WeakPolarHBondContact CG-OE1 3.43Å; Q188-E381 WeakPolarHBondContact CG-OE2 3.29Å; Q188-E381 VanDerWaalsContact NE2-CD 3.28Å; Q188-E381 PolarHBondContact NE2-OE1 3.06Å; Q188-E381 VanDerWaalsContact NE2-OE1 3.13Å; Q188-E381 PolarHBondContact NE2-OE2 2.98Å; C192-E381 HydrophobicContact CB-CB 4.16Å; Q360-E381 PolarHBondContact NE2-O 3.1Å
382	H	76.8	Confident	71.4	Confident	53 Å²	53	61 Å²	61	25%	0.245	30%	0.301	C	S	.	.	S	Bend	trans	-128.7	168.2	-176.6	-57.6	91	0	0	0	111.1	P157 T363 H380 K384	P157-H382 WeakPolarHBondContact CD-NE2 3.42Å; P157-H382 WeakPolarHBondContact CG-CE1 3.44Å; P157-H382 WeakPolarHBondContact CG-NE2 3.17Å; T363-H382 PolarHBondContact OG1-O 3.05Å; T363-H382 VanDerWaalsContact OG1-O 3.1Å; H380-H382 PolarHBondContact O-N 3.24Å; H382-K384 PolarHBondContact O-N 3Å
383	L	80.9	Confident	71.1	Confident	33 Å²	33	66.8 Å²	66.8	17%	0.173	33%	0.328	C	S	.	.			trans	-60	110.2	173.3	179	59.9	0	0	0	109.8	Y275 L361 V385 E399 L402 L403	Y275-L383 HydrophobicContact CD1-CD1 3.56Å; Y275-L383 HydrophobicContact CE1-CD1 3.62Å; Y275-L383 HydrophobicContact CG-CD1 4.42Å; L361-L383 HydrophobicContact CD2-CB 4.19Å; L361-L383 HydrophobicContact CD2-CD1 4.1Å; L361-L383 HydrophobicContact CD2-CD2 4.11Å; L361-L383 HydrophobicContact CD2-CG 4.37Å; L383-V385 HydrophobicContact CD1-CG2 3.96Å; L383-V385 HydrophobicContact CG-CG2 4.12Å; L383-E399 HydrophobicContact CD2-CG 3.77Å; L383-E399 HydrophobicContact CG-CG 4.47Å; L383-L402 HydrophobicContact CD1-CD1 3.81Å; L383-L402 HydrophobicContact CD2-CB 4.24Å; L383-L403 HydrophobicContact CD2-CD2 4.15Å; L383-L403 HydrophobicContact CD2-CG 4.02Å
384	K	74.6	Confident	70.6	Confident	76 Å²	76	65.5 Å²	65.5	33%	0.33	32%	0.322	S	S	.	.			trans	-120.6	89.6	-179.8	-165.2	-174.4	-170.2	-148	0	110.1	T363 H380 H382 R386 D387	T363-K384 PolarHBondContact OG1-N 3.47Å; H380-K384 HydrophobicContact CB-CB 4.21Å; H380-K384 WeakPolarHBondContact ND1-CD 3.19Å; H382-K384 PolarHBondContact O-N 3Å; K384-R386 VanDerWaalsContact CE-O 3.23Å; K384-R386 WeakPolarHBondContact CE-O 3.43Å; K384-R386 VanDerWaalsContact CG-O 3.27Å; K384-R386 WeakPolarHBondContact CG-O 3.4Å; K384-D387 WeakPolarHBondContact CE-OD1 3.31Å; K384-D387 IonicContact NZ-OD1 3.24Å; K384-D387 PolarHBondContact NZ-OD1 3.29Å
385	V	67.3	Low	69.8	Low	4 Å²	4	65.9 Å²	65.9	2%	0.024	32%	0.324	C	S	.	.			trans	-81.6	-27.3	172.6	-171.3	0	0	0	0	111	Y275 L383 D395 T398 E399 L402	Y275-V385 HydrophobicContact CE1-CG2 4.42Å; L383-V385 HydrophobicContact CD1-CG2 3.96Å; L383-V385 HydrophobicContact CG-CG2 4.12Å; V385-D395 HydrophobicContact CG1-CB 4.12Å; V385-T398 HydrophobicContact CG1-CG2 4.31Å; V385-E399 HydrophobicContact CG2-CB 4.06Å; V385-E399 HydrophobicContact CG2-CG 4.35Å; V385-L402 HydrophobicContact CG2-CD1 4.21Å
386	R	67.4	Low	69.1	Low	44 Å²	44	67.3 Å²	67.3	17%	0.166	33%	0.328	C	S	.	.			trans	-100.9	148.2	-171.9	-52.9	179.8	-166.1	163.4	16.6	112.6	E111 R159 K384 E399	E111-R386 IonicContact OE1-CZ 3.36Å; E111-R386 IonicContact OE1-NH1 3.71Å; E111-R386 PolarHBondContact OE1-NH1 3.01Å; E111-R386 IonicContact OE1-NH2 2.74Å; E111-R386 PolarHBondContact OE1-NH2 3.01Å; R159-R386 VanDerWaalsContact NH2-NH1 3.19Å; K384-R386 VanDerWaalsContact CE-O 3.23Å; K384-R386 WeakPolarHBondContact CE-O 3.43Å; K384-R386 VanDerWaalsContact CG-O 3.27Å; K384-R386 WeakPolarHBondContact CG-O 3.4Å; R386-E399 IonicContact CZ-OE2 3.78Å; R386-E399 IonicContact NE-OE2 3.4Å; R386-E399 IonicContact NH2-OE2 3.43Å; R386-E399 PolarHBondContact NH2-OE2 2.9Å
387	D	55.5	Low	68.6	Low	56 Å²	56	72.6 Å²	72.6	30%	0.299	35%	0.351	S	S	.	.	S	Bend	trans	-126.6	-9.7	165.1	-71.1	-43.3	0	0	0	113.9	K273 K384	K273-D387 VanDerWaalsContact CE-OD2 3.3Å; K273-D387 WeakPolarHBondContact CE-OD2 3.25Å; K273-D387 IonicContact NZ-OD1 3.36Å; K273-D387 PolarHBondContact NZ-OD1 3.13Å; K273-D387 IonicContact NZ-OD2 3.94Å; K273-D387 PolarHBondContact NZ-OD2 3.09Å; K384-D387 WeakPolarHBondContact CE-OD1 3.31Å; K384-D387 IonicContact NZ-OD1 3.24Å; K384-D387 PolarHBondContact NZ-OD1 3.29Å
388	D	51.3	Low	68.5	Low	103 Å²	103	71.8 Å²	71.8	55%	0.551	35%	0.347	S	S	*	.	S	Bend	trans	-131.6	155.9	178.8	-69.7	-63.8	0	0	0	112.4	R302 N390	R302-D388 IonicContact CZ-OD2 3.15Å; R302-D388 IonicContact NH1-OD2 2.74Å; R302-D388 PolarHBondContact NH1-OD2 3.08Å; R302-D388 IonicContact NH2-OD2 2.65Å; R302-D388 PolarHBondContact NH2-OD2 3.39Å; D388-N390 PolarHBondContact O-N 3.24Å; D388-N390 VanDerWaalsContact O-N 3.15Å
389	E	43.4	Very low	68.4	Low	163 Å²	163	70.1 Å²	70.1	76%	0.762	34%	0.339	S	S	*	.	S	Bend	trans	-65.6	-6.3	177.3	-72.6	-71.4	134.9	0	0	114.4	F391	E389-F391 PolarHBondContact O-N 3.08Å
390	N	46.8	Very low	68.2	Low	149 Å²	149	74.9 Å²	74.9	80%	0.797	36%	0.36	S	S	*	.	S	Bend	trans	-84.3	115.3	-175.3	-133.6	0.2	0	0	0	111.1	D388 N392	D388-N390 PolarHBondContact O-N 3.24Å; D388-N390 VanDerWaalsContact O-N 3.15Å; N390-N392 PolarHBondContact O-N 3.31Å; N390-N392 VanDerWaalsContact O-N 3.14Å
391	F	45.7	Very low	68.3	Low	169 Å²	169	77.6 Å²	77.6	74%	0.741	37%	0.374	S	S	*	.			trans	-66.2	105.7	-173.1	-76.5	-96.1	0	0	0	112.6	E389	E389-F391 PolarHBondContact O-N 3.08Å
392	N	58.8	Low	68.8	Low	81 Å²	81	75.7 Å²	75.7	43%	0.433	37%	0.365	S	S	.	.			trans	-102.3	126	168.3	-167.5	-1.3	0	0	0	110.9	N390 E394 D395	N390-N392 PolarHBondContact O-N 3.31Å; N390-N392 VanDerWaalsContact O-N 3.14Å; N392-E394 VanDerWaalsContact C-N 3.25Å; N392-E394 PolarHBondContact O-N 3.08Å; N392-E394 PolarHBondContact OD1-N 2.88Å; N392-D395 PolarHBondContact O-N 3.15Å
393	L	61	Low	69.4	Low	136 Å²	136	74.7 Å²	74.7	71%	0.712	36%	0.361	S	S	*	.	H	α-helix	trans	-63.2	-30.3	-178.7	-162	82.6	0	0	0	112.4	K397	L393-K397 PolarHBondContact O-N 3.41Å
394	E	66	Low	69.8	Low	96 Å²	96	77.9 Å²	77.9	45%	0.449	37%	0.374	S	S	.	.	H	α-helix	trans	-72.9	-31.3	179.7	-70.6	-65	158.5	0	0	112.8	N392 K397 T398	N392-E394 VanDerWaalsContact C-N 3.25Å; N392-E394 PolarHBondContact O-N 3.08Å; N392-E394 PolarHBondContact OD1-N 2.88Å; E394-K397 PolarHBondContact O-N 3.25Å; E394-K397 IonicContact OE1-NZ 3.74Å; E394-K397 IonicContact OE2-NZ 3.7Å; E394-K397 PolarHBondContact OE2-NZ 2.95Å; E394-T398 WeakPolarHBondContact O-CB 3.41Å; E394-T398 PolarHBondContact O-N 2.84Å; E394-T398 PolarHBondContact O-OG1 2.75Å
395	D	70.4	Confident	70.6	Confident	19 Å²	19	76 Å²	76	10%	0.102	37%	0.367	C	S	.	.	H	α-helix	trans	-67.8	-41	177.7	-66.6	-13	0	0	0	110.4	V385 N392 K397 T398 E399	V385-D395 HydrophobicContact CG1-CB 4.12Å; N392-D395 PolarHBondContact O-N 3.15Å; D395-K397 VanDerWaalsContact C-N 3.32Å; D395-K397 PolarHBondContact O-N 2.78Å; D395-T398 PolarHBondContact O-N 3.24Å; D395-E399 WeakPolarHBondContact O-CB 3.46Å; D395-E399 PolarHBondContact O-N 2.67Å
396	Q	72.5	Confident	71.7	Confident	72 Å²	72	76 Å²	76	34%	0.336	37%	0.367	S	S	.	.	H	α-helix	trans	-63.3	-38.9	174.5	-73.1	-174.6	-15.9	0	0	112.3	K400	Q396-K400 VanDerWaalsContact O-CB 3.31Å; Q396-K400 WeakPolarHBondContact O-CB 3.44Å; Q396-K400 PolarHBondContact O-N 3.34Å
397	K	78.3	Confident	72.9	Confident	112 Å²	112	74.1 Å²	74.1	49%	0.487	36%	0.361	S	S	.	.	H	α-helix	trans	-66.4	-41.1	176.8	-178	-179.9	161.1	-153.4	0	111.3	L393 E394 D395 K400 I401	L393-K397 PolarHBondContact O-N 3.41Å; E394-K397 PolarHBondContact O-N 3.25Å; E394-K397 IonicContact OE1-NZ 3.74Å; E394-K397 IonicContact OE2-NZ 3.7Å; E394-K397 PolarHBondContact OE2-NZ 2.95Å; D395-K397 VanDerWaalsContact C-N 3.32Å; D395-K397 PolarHBondContact O-N 2.78Å; K397-K400 PolarHBondContact O-N 2.91Å; K397-I401 HydrophobicContact CG-CD1 4.16Å; K397-I401 VanDerWaalsContact O-CG1 3.26Å; K397-I401 WeakPolarHBondContact O-CG1 3.27Å; K397-I401 PolarHBondContact O-N 2.62Å
398	T	81.7	Confident	74.4	Confident	11 Å²	11	73.8 Å²	73.8	7%	0.067	36%	0.363	C	S	.	.	H	α-helix	trans	-64.7	-48.3	176.9	-56.8	0	0	0	0	111.4	T304 V385 E394 D395 K400 I401 L402	T304-T398 HydrophobicContact CG2-CG2 3.49Å; T304-T398 VanDerWaalsContact CG2-CG2 3.49Å; T304-T398 WeakPolarHBondContact CG2-OG1 3.45Å; V385-T398 HydrophobicContact CG1-CG2 4.31Å; E394-T398 WeakPolarHBondContact O-CB 3.41Å; E394-T398 PolarHBondContact O-N 2.84Å; E394-T398 PolarHBondContact O-OG1 2.75Å; D395-T398 PolarHBondContact O-N 3.24Å; T398-K400 VanDerWaalsContact C-N 3.28Å; T398-K400 PolarHBondContact O-N 3.45Å; T398-I401 PolarHBondContact O-N 3.03Å; T398-I401 VanDerWaalsContact O-N 3.12Å; T398-L402 HydrophobicContact CG2-CD1 4.03Å; T398-L402 HydrophobicContact CG2-CG 4.48Å; T398-L402 WeakPolarHBondContact O-CG 3.13Å; T398-L402 PolarHBondContact O-N 3.23Å
399	E	84.3	Confident	76.3	Confident	34 Å²	34	69.2 Å²	69.2	16%	0.159	34%	0.338	C	S	.	.	H	α-helix	trans	-57.2	-43.3	176.4	-169.4	177.3	175.3	0	0	111.2	L383 V385 R386 D395 I401 L402 L403	L383-E399 HydrophobicContact CD2-CG 3.77Å; L383-E399 HydrophobicContact CG-CG 4.47Å; V385-E399 HydrophobicContact CG2-CB 4.06Å; V385-E399 HydrophobicContact CG2-CG 4.35Å; R386-E399 IonicContact CZ-OE2 3.78Å; R386-E399 IonicContact NE-OE2 3.4Å; R386-E399 IonicContact NH2-OE2 3.43Å; R386-E399 PolarHBondContact NH2-OE2 2.9Å; D395-E399 WeakPolarHBondContact O-CB 3.46Å; D395-E399 PolarHBondContact O-N 2.67Å; E399-I401 PolarHBondContact O-N 3.3Å; E399-L402 PolarHBondContact O-N 3.46Å; E399-L403 HydrophobicContact CG-CD1 4.37Å; E399-L403 WeakPolarHBondContact O-CB 3.42Å; E399-L403 WeakPolarHBondContact O-CG 3.4Å; E399-L403 PolarHBondContact O-N 2.86Å
400	K	84.6	Confident	78.4	Confident	100 Å²	100	62 Å²	62	44%	0.435	31%	0.305	S	S	.	.	H	α-helix	trans	-63.1	-40.3	175.2	-178.3	174.5	-179.9	175.8	0	113.1	T114 Q396 K397 T398 K404	T114-K400 HydrophobicContact CG2-CB 4.31Å; T114-K400 HydrophobicContact CG2-CD 3.97Å; T114-K400 HydrophobicContact CG2-CG 3.8Å; Q396-K400 VanDerWaalsContact O-CB 3.31Å; Q396-K400 WeakPolarHBondContact O-CB 3.44Å; Q396-K400 PolarHBondContact O-N 3.34Å; K397-K400 PolarHBondContact O-N 2.91Å; T398-K400 VanDerWaalsContact C-N 3.28Å; T398-K400 PolarHBondContact O-N 3.45Å; K400-K404 VanDerWaalsContact O-CB 3.31Å; K400-K404 WeakPolarHBondContact O-CB 3.49Å; K400-K404 PolarHBondContact O-N 2.83Å
401	I	87.3	Confident	80.2	Confident	76 Å²	76	55.6 Å²	55.6	39%	0.39	27%	0.27	S	S	.	.	H	α-helix	trans	-64.1	-50.5	176.9	-70.6	163.5	0	0	0	109.7	K397 T398 E399 L403 K404 D405	K397-I401 HydrophobicContact CG-CD1 4.16Å; K397-I401 VanDerWaalsContact O-CG1 3.26Å; K397-I401 WeakPolarHBondContact O-CG1 3.27Å; K397-I401 PolarHBondContact O-N 2.62Å; T398-I401 PolarHBondContact O-N 3.03Å; T398-I401 VanDerWaalsContact O-N 3.12Å; E399-I401 PolarHBondContact O-N 3.3Å; I401-L403 VanDerWaalsContact C-N 3.33Å; I401-L403 PolarHBondContact O-N 2.81Å; I401-K404 WeakPolarHBondContact O-CB 3.37Å; I401-K404 PolarHBondContact O-N 3.39Å; I401-K404 VanDerWaalsContact O-N 3.11Å; I401-D405 VanDerWaalsContact CG2-OD2 3.31Å; I401-D405 WeakPolarHBondContact CG2-OD2 3.44Å; I401-D405 VanDerWaalsContact O-CG 3.26Å; I401-D405 PolarHBondContact O-N 3.36Å
402	L	89.6	Confident	81.7	Confident	3 Å²	3	48.8 Å²	48.8	2%	0.016	24%	0.243	C	C	.	.	H	α-helix	trans	-58.9	-42.3	-179.6	-68.7	169.3	0	0	0	112.5	Y275 H289 L383 V385 T398 E399 T406	Y275-L402 HydrophobicContact CD1-CD1 4.2Å; Y275-L402 HydrophobicContact CD2-CD1 3.67Å; Y275-L402 HydrophobicContact CD2-CD2 3.79Å; Y275-L402 HydrophobicContact CD2-CG 4.42Å; Y275-L402 HydrophobicContact CE1-CD1 4.07Å; Y275-L402 HydrophobicContact CE2-CD1 3.53Å; Y275-L402 HydrophobicContact CE2-CD2 4.31Å; Y275-L402 HydrophobicContact CG-CD1 4.01Å; Y275-L402 HydrophobicContact CG-CD2 4.27Å; H289-L402 HydrophobicContact CB-CD2 4.45Å; H289-L402 VanDerWaalsContact CE1-CD2 3.47Å; H289-L402 WeakPolarHBondContact CE1-CD2 3.43Å; H289-L402 VanDerWaalsContact ND1-CD2 3.33Å; H289-L402 WeakPolarHBondContact ND1-CD2 3.18Å; L383-L402 HydrophobicContact CD1-CD1 3.81Å; L383-L402 HydrophobicContact CD2-CB 4.24Å; V385-L402 HydrophobicContact CG2-CD1 4.21Å; T398-L402 HydrophobicContact CG2-CD1 4.03Å; T398-L402 HydrophobicContact CG2-CG 4.48Å; T398-L402 WeakPolarHBondContact O-CG 3.13Å; T398-L402 PolarHBondContact O-N 3.23Å; E399-L402 PolarHBondContact O-N 3.46Å; L402-T406 VanDerWaalsContact O-CB 3.3Å; L402-T406 WeakPolarHBondContact O-CB 3.31Å; L402-T406 PolarHBondContact O-N 2.89Å; L402-T406 PolarHBondContact O-OG1 2.97Å
403	L	89.3	Confident	82.1	Confident	31 Å²	31	50.6 Å²	50.6	16%	0.162	25%	0.253	C	S	.	.	H	α-helix	trans	-66.2	-42.1	175.7	-71.7	171.7	0	0	0	112.2	L115 L118 L383 E399 I401 T406 F407	L115-L403 HydrophobicContact CD2-CD1 4.03Å; L115-L403 HydrophobicContact CD2-CD2 4.37Å; L118-L403 HydrophobicContact CD1-CB 3.94Å; L383-L403 HydrophobicContact CD2-CD2 4.15Å; L383-L403 HydrophobicContact CD2-CG 4.02Å; E399-L403 HydrophobicContact CG-CD1 4.37Å; E399-L403 WeakPolarHBondContact O-CB 3.42Å; E399-L403 WeakPolarHBondContact O-CG 3.4Å; E399-L403 PolarHBondContact O-N 2.86Å; I401-L403 VanDerWaalsContact C-N 3.33Å; I401-L403 PolarHBondContact O-N 2.81Å; L403-T406 PolarHBondContact O-N 2.94Å; L403-F407 WeakPolarHBondContact O-CG 3.36Å; L403-F407 PolarHBondContact O-N 2.99Å
404	K	90.1	Very high	82.2	Confident	101 Å²	101	47.9 Å²	47.9	44%	0.439	24%	0.242	S	C	.	.	H	α-helix	trans	-61	-46.4	176.6	-177	-170.3	176	-163.4	0	111.3	L118 K400 I401 T406 F407 S408	L118-K404 HydrophobicContact CD1-CB 4.46Å; L118-K404 HydrophobicContact CD2-CB 3.86Å; L118-K404 HydrophobicContact CD2-CG 3.96Å; K400-K404 VanDerWaalsContact O-CB 3.31Å; K400-K404 WeakPolarHBondContact O-CB 3.49Å; K400-K404 PolarHBondContact O-N 2.83Å; I401-K404 WeakPolarHBondContact O-CB 3.37Å; I401-K404 PolarHBondContact O-N 3.39Å; I401-K404 VanDerWaalsContact O-N 3.11Å; K404-T406 VanDerWaalsContact C-N 3.35Å; K404-F407 PolarHBondContact O-N 3.3Å; K404-S408 WeakPolarHBondContact O-CB 3.46Å; K404-S408 PolarHBondContact O-N 2.95Å; K404-S408 PolarHBondContact O-OG 3Å
405	D	91.1	Very high	82.1	Confident	35 Å²	35	48 Å²	48	19%	0.187	25%	0.253	C	S	.	.	H	α-helix	trans	-67.9	-39.5	-178.2	-63.5	-17.7	0	0	0	110.2	H289 I401 S408 F409 F467	H289-D405 IonicContact NE2-OD2 3.89Å; H289-D405 PolarHBondContact NE2-OD2 3.43Å; I401-D405 VanDerWaalsContact CG2-OD2 3.31Å; I401-D405 WeakPolarHBondContact CG2-OD2 3.44Å; I401-D405 VanDerWaalsContact O-CG 3.26Å; I401-D405 PolarHBondContact O-N 3.36Å; D405-S408 PolarHBondContact O-N 2.88Å; D405-F409 VanDerWaalsContact O-CB 3.3Å; D405-F409 WeakPolarHBondContact O-CB 3.43Å; D405-F409 PolarHBondContact O-N 3.05Å; D405-F467 HydrophobicContact CB-CE2 4.32Å
406	T	91.6	Very high	81.8	Confident	4 Å²	4	47.4 Å²	47.4	3%	0.025	25%	0.251	C	S	.	.	H	α-helix	trans	-60.3	-46.3	174.3	-59.5	0	0	0	0	112	L277 L402 L403 K404 F409 L410	L277-T406 HydrophobicContact CD1-CG2 4.04Å; L277-T406 HydrophobicContact CD2-CG2 4.19Å; L402-T406 VanDerWaalsContact O-CB 3.3Å; L402-T406 WeakPolarHBondContact O-CB 3.31Å; L402-T406 PolarHBondContact O-N 2.89Å; L402-T406 PolarHBondContact O-OG1 2.97Å; L403-T406 PolarHBondContact O-N 2.94Å; K404-T406 VanDerWaalsContact C-N 3.35Å; T406-F409 PolarHBondContact O-N 2.81Å; T406-L410 HydrophobicContact CG2-CD1 3.77Å; T406-L410 HydrophobicContact CG2-CG 4.43Å; T406-L410 WeakPolarHBondContact O-CB 3.46Å; T406-L410 VanDerWaalsContact O-CG 3.27Å; T406-L410 WeakPolarHBondContact O-CG 3.31Å; T406-L410 PolarHBondContact O-N 2.93Å
407	F	90.6	Very high	81.3	Confident	6 Å²	6	47.6 Å²	47.6	3%	0.026	25%	0.254	C	S	.	.	H	α-helix	trans	-71.4	-35.5	179.3	-67.6	-12.7	0	0	0	112.4	L115 L118 L119 I154 L403 K404 F409 L410 F411	L115-F407 HydrophobicContact CD2-CE2 3.84Å; L115-F407 HydrophobicContact CD2-CZ 3.79Å; L118-F407 HydrophobicContact CB-CD2 3.93Å; L118-F407 HydrophobicContact CB-CE2 4.2Å; L119-F407 HydrophobicContact CD2-CD2 4.09Å; L119-F407 HydrophobicContact CD2-CE2 3.84Å; L119-F407 HydrophobicContact CD2-CZ 4.17Å; L119-F407 HydrophobicContact CG-CE2 4.02Å; I154-F407 HydrophobicContact CD1-CE1 4.47Å; L403-F407 WeakPolarHBondContact O-CG 3.36Å; L403-F407 PolarHBondContact O-N 2.99Å; K404-F407 PolarHBondContact O-N 3.3Å; F407-F409 VanDerWaalsContact C-N 3.32Å; F407-F409 PolarHBondContact O-N 3.18Å; F407-L410 PolarHBondContact O-N 2.88Å; F407-F411 HydrophobicContact CB-CD2 3.85Å; F407-F411 HydrophobicContact CB-CE2 4.1Å; F407-F411 HydrophobicContact CD1-CD2 4.27Å; F407-F411 AromaticContact CD1-CE2 3.63Å; F407-F411 HydrophobicContact CD1-CE2 3.63Å; F407-F411 HydrophobicContact CE1-CE2 4.27Å; F407-F411 HydrophobicContact CG-CD2 4.21Å; F407-F411 AromaticContact CG-CE2 3.94Å; F407-F411 HydrophobicContact CG-CE2 3.94Å; F407-F411 WeakPolarHBondContact O-CB 3.33Å; F407-F411 WeakPolarHBondContact O-CD2 3.37Å; F407-F411 PolarHBondContact O-N 2.91Å
408	S	88.9	Confident	80.5	Confident	49 Å²	49	46.4 Å²	46.4	34%	0.343	26%	0.259	S	S	.	.	H	α-helix	trans	-62.3	-41.3	173.2	-58.6	0	0	0	0	111.6	K404 D405 S412	K404-S408 WeakPolarHBondContact O-CB 3.46Å; K404-S408 PolarHBondContact O-N 2.95Å; K404-S408 PolarHBondContact O-OG 3Å; D405-S408 PolarHBondContact O-N 2.88Å; S408-S412 PolarHBondContact O-N 2.84Å
409	F	90.2	Very high	79.8	Confident	6 Å²	6	48.2 Å²	48.2	3%	0.026	27%	0.269	C	S	.	.	H	α-helix	trans	-64.7	-48.8	174.4	175.1	-92.9	0	0	0	112.1	L277 T279 F287 D405 T406 F407 E460 S463 L464 F467	L277-F409 HydrophobicContact CD2-CD1 3.39Å; L277-F409 HydrophobicContact CD2-CE1 3.57Å; L277-F409 HydrophobicContact CD2-CG 4.35Å; T279-F409 HydrophobicContact CG2-CE1 3.98Å; F287-F409 HydrophobicContact CD1-CE2 4.2Å; F287-F409 AromaticContact CD1-CZ 3.87Å; F287-F409 HydrophobicContact CD1-CZ 3.87Å; F287-F409 HydrophobicContact CD2-CE1 4.15Å; F287-F409 AromaticContact CD2-CZ 3.76Å; F287-F409 HydrophobicContact CD2-CZ 3.76Å; F287-F409 HydrophobicContact CE1-CE2 4.28Å; F287-F409 AromaticContact CE1-CZ 3.86Å; F287-F409 HydrophobicContact CE1-CZ 3.86Å; F287-F409 HydrophobicContact CE2-CE1 4.28Å; F287-F409 AromaticContact CE2-CZ 3.77Å; F287-F409 HydrophobicContact CE2-CZ 3.77Å; F287-F409 HydrophobicContact CG-CE1 4.49Å; F287-F409 HydrophobicContact CG-CE2 4.45Å; F287-F409 AromaticContact CG-CZ 3.83Å; F287-F409 HydrophobicContact CG-CZ 3.83Å; F287-F409 AromaticContact CZ-CZ 3.81Å; F287-F409 HydrophobicContact CZ-CZ 3.81Å; D405-F409 VanDerWaalsContact O-CB 3.3Å; D405-F409 WeakPolarHBondContact O-CB 3.43Å; D405-F409 PolarHBondContact O-N 3.05Å; T406-F409 PolarHBondContact O-N 2.81Å; F407-F409 VanDerWaalsContact C-N 3.32Å; F407-F409 PolarHBondContact O-N 3.18Å; F409-E460 HydrophobicContact CE1-CB 4.4Å; F409-E460 HydrophobicContact CE1-CG 4.09Å; F409-E460 HydrophobicContact CE2-CB 4.33Å; F409-E460 WeakPolarHBondContact CE2-O 3.46Å; F409-E460 HydrophobicContact CZ-CB 3.75Å; F409-E460 HydrophobicContact CZ-CG 3.95Å; F409-S463 VanDerWaalsContact CD2-O 3.22Å; F409-S463 WeakPolarHBondContact CD2-O 3.34Å; F409-S463 PolarHBondContact O-OG 3.21Å; F409-S463 VanDerWaalsContact O-OG 3.14Å; F409-L464 HydrophobicContact CE2-CD2 4.18Å; F409-F467 HydrophobicContact CB-CD2 4.01Å; F409-F467 HydrophobicContact CB-CE2 4.09Å; F409-F467 HydrophobicContact CD2-CB 4.34Å; F409-F467 HydrophobicContact CD2-CD2 4.07Å; F409-F467 HydrophobicContact CD2-CG 4.44Å; F409-F467 HydrophobicContact CE2-CB 4.45Å; F409-F467 HydrophobicContact CG-CD2 4.04Å; F409-F467 HydrophobicContact CG-CE2 4.41Å
410	L	87.9	Confident	79	Confident	13 Å²	13	46.7 Å²	46.7	7%	0.068	26%	0.261	C	S	.	.	H	α-helix	trans	-77.1	-30.8	-173.9	-69.1	172.1	0	0	0	114.6	L277 T279 F359 T406 F407	L277-L410 HydrophobicContact CD2-CD2 4.19Å; L277-L410 HydrophobicContact CD2-CG 4.32Å; T279-L410 HydrophobicContact CG2-CD2 3.82Å; F359-L410 HydrophobicContact CB-CD1 4.33Å; F359-L410 HydrophobicContact CB-CD2 4.29Å; F359-L410 HydrophobicContact CD1-CD1 4.1Å; F359-L410 HydrophobicContact CD2-CD1 3.27Å; F359-L410 HydrophobicContact CE1-CD1 4.18Å; F359-L410 HydrophobicContact CE2-CD1 3.37Å; F359-L410 HydrophobicContact CG-CD1 3.64Å; F359-L410 HydrophobicContact CG-CD2 4.39Å; F359-L410 HydrophobicContact CZ-CD1 3.83Å; T406-L410 HydrophobicContact CG2-CD1 3.77Å; T406-L410 HydrophobicContact CG2-CG 4.43Å; T406-L410 WeakPolarHBondContact O-CB 3.46Å; T406-L410 VanDerWaalsContact O-CG 3.27Å; T406-L410 WeakPolarHBondContact O-CG 3.31Å; T406-L410 PolarHBondContact O-N 2.93Å; F407-L410 PolarHBondContact O-N 2.88Å
411	F	85.3	Confident	78.1	Confident	13 Å²	13	43.7 Å²	43.7	6%	0.057	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.2	24.2	-169.2	-50.4	-55.9	0	0	0	113.4	L119 H122 Y124 L152 K180 F359 F407	L119-F411 HydrophobicContact CD2-CE2 4.4Å; H122-F411 HydrophobicContact CB-CB 4.44Å; Y124-F411 HydrophobicContact CE2-CD1 4.27Å; Y124-F411 HydrophobicContact CE2-CD2 4.4Å; Y124-F411 HydrophobicContact CE2-CG 4.18Å; L152-F411 HydrophobicContact CD1-CE1 4.21Å; L152-F411 HydrophobicContact CD1-CZ 3.78Å; L152-F411 HydrophobicContact CD2-CE1 4.22Å; L152-F411 HydrophobicContact CD2-CE2 3.97Å; L152-F411 HydrophobicContact CD2-CZ 3.51Å; L152-F411 HydrophobicContact CG-CZ 4.29Å; K180-F411 HydrophobicContact CD-CE1 4.01Å; F359-F411 HydrophobicContact CZ-CZ 4.47Å; F407-F411 HydrophobicContact CB-CD2 3.85Å; F407-F411 HydrophobicContact CB-CE2 4.1Å; F407-F411 HydrophobicContact CD1-CD2 4.27Å; F407-F411 AromaticContact CD1-CE2 3.63Å; F407-F411 HydrophobicContact CD1-CE2 3.63Å; F407-F411 HydrophobicContact CE1-CE2 4.27Å; F407-F411 HydrophobicContact CG-CD2 4.21Å; F407-F411 AromaticContact CG-CE2 3.94Å; F407-F411 HydrophobicContact CG-CE2 3.94Å; F407-F411 WeakPolarHBondContact O-CB 3.33Å; F407-F411 WeakPolarHBondContact O-CD2 3.37Å; F407-F411 PolarHBondContact O-N 2.91Å
412	S	75.8	Confident	77.2	Confident	26 Å²	26	43.9 Å²	43.9	18%	0.182	25%	0.252	C	S	.	.			trans	-54.3	141.5	175.2	-178.4	0	0	0	0	111.8	S408 T414 K459	S408-S412 PolarHBondContact O-N 2.84Å; S412-T414 VanDerWaalsContact C-N 3.33Å; S412-T414 PolarHBondContact OG-N 3.17Å; S412-T414 PolarHBondContact OG-OG1 3.43Å; S412-K459 WeakPolarHBondContact O-CE 3.36Å; S412-K459 PolarHBondContact O-NZ 2.98Å
413	N	67.3	Low	76.2	Confident	119 Å²	119	44 Å²	44	64%	0.636	25%	0.252	S	S	*	.			trans	-92.1	10.8	176	-72.8	-27.3	0	0	0	112.7	R97 S415	R97-N413 PolarHBondContact NH2-OD1 2.94Å; R97-N413 VanDerWaalsContact NH2-OD1 3.11Å; N413-S415 PolarHBondContact O-N 3.08Å
414	T	63.5	Low	75.1	Confident	79 Å²	79	42.9 Å²	42.9	49%	0.485	25%	0.247	S	C	.	.			trans	-63.3	129.6	178	32.2	0	0	0	0	111.7	S412 S416	S412-T414 VanDerWaalsContact C-N 3.33Å; S412-T414 PolarHBondContact OG-N 3.17Å; S412-T414 PolarHBondContact OG-OG1 3.43Å; T414-S416 PolarHBondContact O-N 3.47Å
415	S	64.3	Low	74	Confident	98 Å²	98	41.5 Å²	41.5	69%	0.685	24%	0.242	S	C	*	.			trans	-72.5	118.5	175.2	59.4	0	0	0	0	110.2	N413	N413-S415 PolarHBondContact O-N 3.08Å
416	S	63.3	Low	72.8	Confident	8 Å²	8	44.7 Å²	44.7	6%	0.056	25%	0.252	C	S	.	.			trans	-95.3	9.7	176.2	56.4	0	0	0	0	113.8	T414 L419 L420	T414-S416 PolarHBondContact O-N 3.47Å; S416-L419 PolarHBondContact O-N 3.43Å; S416-L420 VanDerWaalsContact O-CB 3.29Å; S416-L420 WeakPolarHBondContact O-CB 3.28Å; S416-L420 PolarHBondContact O-N 3.25Å
417	L	62.2	Low	71.5	Confident	75 Å²	75	45.4 Å²	45.4	39%	0.393	26%	0.255	S	S	.	.	H	α-helix	trans	-64.4	-50.3	-168.6	-63	171.5	0	0	0	113.3	E85 L419 L420 S421	E85-L417 HydrophobicContact CG-CD2 4.2Å; E85-L417 WeakPolarHBondContact OE1-CD2 3.38Å; L417-L419 VanDerWaalsContact C-N 3.28Å; L417-L419 PolarHBondContact O-N 3.03Å; L417-L420 PolarHBondContact O-N 3.2Å; L417-S421 PolarHBondContact O-N 3.46Å; L417-S421 VanDerWaalsContact O-N 3.14Å
418	S	61.8	Low	70.1	Confident	87 Å²	87	50.2 Å²	50.2	61%	0.608	27%	0.274	S	S	*	.	H	α-helix	trans	-61.1	-41.3	177.8	53.9	0	0	0	0	111.7	S421 E422	S418-S421 PolarHBondContact O-N 3.05Å; S418-S421 PolarHBondContact O-OG 2.94Å; S418-E422 PolarHBondContact O-N 3.32Å
419	L	66.9	Low	68.6	Low	50 Å²	50	56.4 Å²	56.4	26%	0.262	29%	0.289	S	S	.	.	H	α-helix	trans	-72.3	-39.1	-176.8	-169.4	59	0	0	0	112.4	S416 L417 S421 E422 Q423 V458 F508	S416-L419 PolarHBondContact O-N 3.43Å; L417-L419 VanDerWaalsContact C-N 3.28Å; L417-L419 PolarHBondContact O-N 3.03Å; L419-S421 VanDerWaalsContact C-N 3.34Å; L419-E422 PolarHBondContact O-N 3.12Å; L419-Q423 VanDerWaalsContact O-CG 3.24Å; L419-Q423 WeakPolarHBondContact O-CG 3.31Å; L419-Q423 PolarHBondContact O-N 3.25Å; L419-Q423 VanDerWaalsContact O-N 3.13Å; L419-V458 HydrophobicContact CB-CG1 4.19Å; L419-V458 HydrophobicContact CD2-CG1 3.58Å; L419-V458 HydrophobicContact CG-CG1 3.66Å; L419-F508 HydrophobicContact CD1-CE1 4.44Å; L419-F508 HydrophobicContact CD1-CZ 4.09Å; L419-F508 HydrophobicContact CD2-CE1 3.76Å; L419-F508 HydrophobicContact CD2-CZ 3.61Å; L419-F508 HydrophobicContact CG-CE1 4.49Å; L419-F508 HydrophobicContact CG-CZ 3.99Å
420	L	67.7	Low	66.8	Low	1 Å²	1	60.3 Å²	60.3	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-60.7	-45	172.8	-175.9	83.6	0	0	0	111	E85 S416 L417 E422 Q423 L424 I454 R455	E85-L420 HydrophobicContact CG-CD2 4.11Å; S416-L420 VanDerWaalsContact O-CB 3.29Å; S416-L420 WeakPolarHBondContact O-CB 3.28Å; S416-L420 PolarHBondContact O-N 3.25Å; L417-L420 PolarHBondContact O-N 3.2Å; L420-E422 VanDerWaalsContact C-N 3.33Å; L420-E422 PolarHBondContact O-N 3.48Å; L420-Q423 PolarHBondContact O-N 3.31Å; L420-L424 HydrophobicContact CD1-CD1 4.49Å; L420-L424 HydrophobicContact CD2-CD1 4.2Å; L420-L424 HydrophobicContact CG-CD1 3.95Å; L420-L424 HydrophobicContact CG-CG 4.4Å; L420-L424 WeakPolarHBondContact O-CG 3.36Å; L420-L424 PolarHBondContact O-N 3.11Å; L420-I454 HydrophobicContact CD1-CG2 4.44Å; L420-R455 HydrophobicContact CD1-CB 3.55Å; L420-R455 HydrophobicContact CD1-CG 3.96Å; L420-R455 HydrophobicContact CD2-CG 4.41Å
421	S	65.4	Low	65	Low	37 Å²	37	62 Å²	62	26%	0.259	33%	0.329	S	S	.	.	H	α-helix	trans	-62.9	-39.6	-178.2	74.3	0	0	0	0	112.3	L417 S418 L419 Q425	L417-S421 PolarHBondContact O-N 3.46Å; L417-S421 VanDerWaalsContact O-N 3.14Å; S418-S421 PolarHBondContact O-N 3.05Å; S418-S421 PolarHBondContact O-OG 2.94Å; L419-S421 VanDerWaalsContact C-N 3.34Å; S421-Q425 WeakPolarHBondContact O-CB 3.26Å; S421-Q425 WeakPolarHBondContact O-CG 3.48Å; S421-Q425 PolarHBondContact O-N 3.21Å; S421-Q425 VanDerWaalsContact O-N 3.14Å
422	E	67.9	Low	63.1	Low	80 Å²	80	66.6 Å²	66.6	37%	0.374	36%	0.357	S	S	.	.	H	α-helix	trans	-66.3	-40.4	175.8	-170.1	179.7	175.2	0	0	111.9	S418 L419 L420 Q425 R426	S418-E422 PolarHBondContact O-N 3.32Å; L419-E422 PolarHBondContact O-N 3.12Å; L420-E422 VanDerWaalsContact C-N 3.33Å; L420-E422 PolarHBondContact O-N 3.48Å; E422-Q425 PolarHBondContact O-N 2.78Å; E422-R426 PolarHBondContact O-N 2.91Å; E422-R426 VanDerWaalsContact O-N 3.13Å; E422-R426 IonicContact OE1-CZ 3.76Å; E422-R426 VanDerWaalsContact OE1-CZ 3.31Å; E422-R426 IonicContact OE1-NH1 2.76Å; E422-R426 IonicContact OE1-NH2 3.84Å; E422-R426 PolarHBondContact OE1-NH2 3.4Å
423	Q	68.3	Low	61.3	Low	5 Å²	5	72.3 Å²	72.3	2%	0.023	39%	0.385	C	S	.	.	H	α-helix	trans	-68.1	-45.7	179.4	-69.8	-58.8	-42.8	0	0	112.5	L419 L420 Q425 R426 L427 V458 Q507	L419-Q423 VanDerWaalsContact O-CG 3.24Å; L419-Q423 WeakPolarHBondContact O-CG 3.31Å; L419-Q423 PolarHBondContact O-N 3.25Å; L419-Q423 VanDerWaalsContact O-N 3.13Å; L420-Q423 PolarHBondContact O-N 3.31Å; Q423-Q425 VanDerWaalsContact C-N 3.3Å; Q423-Q425 PolarHBondContact O-N 2.99Å; Q423-R426 PolarHBondContact O-N 2.95Å; Q423-L427 WeakPolarHBondContact O-CG 3.31Å; Q423-L427 PolarHBondContact O-N 3.23Å; Q423-V458 HydrophobicContact CG-CG2 4.36Å; Q423-Q507 VanDerWaalsContact OE1-OE1 3.09Å
424	L	68.1	Low	59.8	Low	9 Å²	9	75.5 Å²	75.5	5%	0.047	40%	0.396	C	S	.	.	H	α-helix	trans	-63.8	-35.7	176.8	-68.2	173.3	0	0	0	111.9	L74 L420 Y428 L446 I451	L74-L424 HydrophobicContact CD2-CB 4.26Å; L74-L424 HydrophobicContact CD2-CD2 3.72Å; L420-L424 HydrophobicContact CD1-CD1 4.49Å; L420-L424 HydrophobicContact CD2-CD1 4.2Å; L420-L424 HydrophobicContact CG-CD1 3.95Å; L420-L424 HydrophobicContact CG-CG 4.4Å; L420-L424 WeakPolarHBondContact O-CG 3.36Å; L420-L424 PolarHBondContact O-N 3.11Å; L424-Y428 PolarHBondContact O-N 3.08Å; L424-L446 HydrophobicContact CD2-CD1 4.49Å; L424-I451 HydrophobicContact CD1-CG2 4.37Å
425	Q	66.3	Low	58.3	Low	72 Å²	72	76.4 Å²	76.4	34%	0.336	40%	0.398	S	S	.	.	H	α-helix	trans	-67.8	-31.8	174.9	-79.9	-178.8	-13.1	0	0	113.6	I81 S421 E422 Q423 R429	I81-Q425 HydrophobicContact CD1-CG 4.35Å; S421-Q425 WeakPolarHBondContact O-CB 3.26Å; S421-Q425 WeakPolarHBondContact O-CG 3.48Å; S421-Q425 PolarHBondContact O-N 3.21Å; S421-Q425 VanDerWaalsContact O-N 3.14Å; E422-Q425 PolarHBondContact O-N 2.78Å; Q423-Q425 VanDerWaalsContact C-N 3.3Å; Q423-Q425 PolarHBondContact O-N 2.99Å; Q425-R429 PolarHBondContact O-N 2.59Å
426	R	64.6	Low	56.9	Low	102 Å²	102	75.3 Å²	75.3	39%	0.385	40%	0.402	S	S	.	.	H	α-helix	trans	-80.1	-40.9	178.3	-78.5	-172.3	-178.6	153.2	10.8	113	E422 Q423 Y428 R429 E430	E422-R426 PolarHBondContact O-N 2.91Å; E422-R426 VanDerWaalsContact O-N 3.13Å; E422-R426 IonicContact OE1-CZ 3.76Å; E422-R426 VanDerWaalsContact OE1-CZ 3.31Å; E422-R426 IonicContact OE1-NH1 2.76Å; E422-R426 IonicContact OE1-NH2 3.84Å; E422-R426 PolarHBondContact OE1-NH2 3.4Å; Q423-R426 PolarHBondContact O-N 2.95Å; R426-Y428 PolarHBondContact O-N 3.04Å; R426-R429 WeakPolarHBondContact O-CA 3.29Å; R426-R429 PolarHBondContact O-N 2.7Å; R426-E430 PolarHBondContact O-N 2.8Å
427	L	64.5	Low	55.7	Low	18 Å²	18	82 Å²	82	9%	0.094	44%	0.437	C	S	.	.	H	α-helix	trans	-55.7	-37.4	171.8	-70.7	171.9	0	0	0	111	L74 Q423 G431 I454	L74-L427 HydrophobicContact CD1-CB 4.31Å; Q423-L427 WeakPolarHBondContact O-CG 3.31Å; Q423-L427 PolarHBondContact O-N 3.23Å; L427-G431 PolarHBondContact O-N 2.97Å; L427-I454 HydrophobicContact CD1-CD1 4.42Å
428	Y	61.8	Low	54.4	Low	108 Å²	108	88.1 Å²	88.1	42%	0.424	46%	0.457	S	S	.	.	H	α-helix	trans	-63.7	-37.7	171.4	-177.7	-98.2	0	0	0	113.9	L74 L424 R426 V432	L74-Y428 HydrophobicContact CB-CD2 3.88Å; L74-Y428 WeakPolarHBondContact O-CD2 3.45Å; L74-Y428 WeakPolarHBondContact O-CE2 3.34Å; L424-Y428 PolarHBondContact O-N 3.08Å; R426-Y428 PolarHBondContact O-N 3.04Å; Y428-V432 WeakPolarHBondContact O-CG2 3.38Å
429	R	56.7	Low	53.1	Low	178 Å²	178	88 Å²	88	67%	0.672	47%	0.469	S	S	*	.	H	α-helix	trans	-74.5	-37.8	179	-79.2	-174.3	-169.9	178.8	4.2	113.3	Q425 R426 V432	Q425-R429 PolarHBondContact O-N 2.59Å; R426-R429 WeakPolarHBondContact O-CA 3.29Å; R426-R429 PolarHBondContact O-N 2.7Å; R429-V432 PolarHBondContact O-N 2.89Å
430	E	54	Low	51.6	Low	88 Å²	88	94 Å²	94	41%	0.411	49%	0.493	S	S	.	.	H	α-helix	trans	-68.9	-36.3	-179.1	-74.8	179.3	177.5	0	0	111.8	R426 V432 L433	R426-E430 PolarHBondContact O-N 2.8Å; E430-V432 PolarHBondContact O-N 2.98Å; E430-V432 VanDerWaalsContact O-N 3.12Å; E430-L433 PolarHBondContact O-N 3.26Å
431	G	49.2	Very low	50.2	Low	49 Å²	49	102.3 Å²	102.3	51%	0.505	53%	0.532	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-13.9	173.8	0	0	0	0	0	115.1	L427	L427-G431 PolarHBondContact O-N 2.97Å
432	V	45.3	Very low	48.9	Very low	109 Å²	109	108 Å²	108	66%	0.661	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.8	-14.4	179.4	176.3	0	0	0	0	112.3	Y428 R429 E430	Y428-V432 WeakPolarHBondContact O-CG2 3.38Å; R429-V432 PolarHBondContact O-N 2.89Å; E430-V432 PolarHBondContact O-N 2.98Å; E430-V432 VanDerWaalsContact O-N 3.12Å
433	L	37.3	Very low	47.9	Very low	147 Å²	147	109.2 Å²	109.2	77%	0.77	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.8	-9.6	-170.4	-86	154.2	0	0	0	115.3	E430	E430-L433 PolarHBondContact O-N 3.26Å
434	E	36.6	Very low	47.4	Very low	185 Å²	185	114.1 Å²	114.1	86%	0.864	59%	0.591	S	S	*	*	S	Bend	trans	-111.5	13.9	-173.6	-88.1	-147	156.8	0	0	117.1
435	D	31.7	Very low	47.3	Very low	98 Å²	98	116.5 Å²	116.5	52%	0.524	61%	0.608	S	S	.	*			trans	-113.3	80.6	176.1	-156.2	7.5	0	0	0	113	Y438	D435-Y438 PolarHBondContact OD1-N 2.97Å
436	G	36	Very low	47.6	Very low	75 Å²	75	114.4 Å²	114.4	77%	0.773	60%	0.599	S	S	*	*	S	Bend	trans	-97.2	100.6	158.9	0	0	0	0	0	109.4
437	N	37.6	Very low	48.1	Very low	149 Å²	149	110.3 Å²	110.3	80%	0.797	59%	0.586	S	S	*	*	S	Bend	trans	77.8	83.4	-172.6	-66.8	-27.1	0	0	0	113.9
438	Y	33.7	Very low	48.7	Very low	203 Å²	203	109.6 Å²	109.6	80%	0.796	58%	0.582	S	S	*	*				-173.2	122.7	89.3	-107.1	-92.4	0	0	0	108.2	D435 K440	D435-Y438 PolarHBondContact OD1-N 2.97Å; Y438-K440 PolarHBondContact O-N 3.21Å
439	G	35.5	Very low	49.3	Very low	85 Å²	85	105.4 Å²	105.4	88%	0.876	57%	0.566	S	S	*	*			trans	-55.3	101.7	-177.8	0	0	0	0	0	114.8
440	K	35.8	Very low	50.2	Low	175 Å²	175	98.6 Å²	98.6	76%	0.761	54%	0.542	S	S	*	.			trans	-149.7	112.7	144.8	-95.6	-178.6	-178.8	175.8	0	106.7	Y438 L442	Y438-K440 PolarHBondContact O-N 3.21Å; K440-L442 VanDerWaalsContact C-N 3.3Å; K440-L442 PolarHBondContact O-N 2.87Å
441	E	37.4	Very low	51.3	Low	177 Å²	177	94.6 Å²	94.6	83%	0.827	52%	0.523	S	S	*	.			trans	-50.8	97.1	163.8	-71.8	177.1	159.1	0	0	108.8	N443	E441-N443 PolarHBondContact O-N 3.22Å
442	L	39.7	Very low	52.8	Low	155 Å²	155	93.2 Å²	93.2	81%	0.812	50%	0.504	S	S	*	.			trans	-73.8	83.6	166.5	-94.5	152.4	0	0	0	105.9	K440 Q444	K440-L442 VanDerWaalsContact C-N 3.3Å; K440-L442 PolarHBondContact O-N 2.87Å; L442-Q444 PolarHBondContact O-N 3.09Å
443	N	45.5	Very low	54.5	Low	107 Å²	107	88.6 Å²	88.6	57%	0.572	48%	0.476	S	S	*	.			trans	-53.6	91.4	160.2	-79.1	-37.8	0	0	0	107.5	L73 E441 C445	L73-N443 HydrophobicContact CD2-CB 3.74Å; E441-N443 PolarHBondContact O-N 3.22Å; N443-C445 VanDerWaalsContact C-N 3.33Å; N443-C445 PolarHBondContact O-N 3.41Å
444	Q	57.7	Low	56.5	Low	107 Å²	107	82.2 Å²	82.2	50%	0.5	44%	0.443	S	S	.	.			trans	-64.5	98.8	177.9	-93.8	-177.2	-4.4	0	0	108.1	L74 L442	L74-Q444 HydrophobicContact CD1-CB 4.31Å; L442-Q444 PolarHBondContact O-N 3.09Å
445	C	67.1	Low	58.7	Low	59 Å²	59	75.3 Å²	75.3	40%	0.399	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	114.6	-177.9	177.3	0	0	0	0	108.6	C71 N443	C71-C445 WeakPolarHBondContact CA-SG 3.31Å; C71-C445 HydrophobicContact CB-CB 4.32Å; C71-C445 WeakPolarHBondContact CB-SG 3.36Å; C71-C445 WeakPolarHBondContact SG-CB 3.31Å; C71-C445 CovalentContact SG-SG 1.99Å; C71-C445 PolarHBondContact SG-SG 3.26Å; N443-C445 VanDerWaalsContact C-N 3.33Å; N443-C445 PolarHBondContact O-N 3.41Å
446	L	72.3	Confident	61.2	Low	28 Å²	28	72.1 Å²	72.1	15%	0.147	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	138	173.4	-63.6	-179.3	0	0	0	110.3	F72 L74 L424 E450 I451 I454	F72-L446 WeakPolarHBondContact CB-O 3.21Å; F72-L446 PolarHBondContact N-O 3.22Å; F72-L446 PolarHBondContact O-N 3.19Å; L74-L446 HydrophobicContact CD1-CD1 4.1Å; L74-L446 HydrophobicContact CD1-CG 4.43Å; L74-L446 HydrophobicContact CD2-CD1 3.79Å; L74-L446 HydrophobicContact CG-CD1 4.06Å; L74-L446 HydrophobicContact CG-CG 4.41Å; L424-L446 HydrophobicContact CD2-CD1 4.49Å; L446-E450 HydrophobicContact CB-CB 4.5Å; L446-E450 HydrophobicContact CD2-CB 4.36Å; L446-I451 HydrophobicContact CB-CD1 4.18Å; L446-I451 HydrophobicContact CB-CG1 3.83Å; L446-I451 HydrophobicContact CD1-CG1 4.14Å; L446-I454 HydrophobicContact CD1-CD1 4.17Å
447	S	75.6	Confident	63.6	Low	17 Å²	17	68.5 Å²	68.5	12%	0.119	36%	0.356	C	S	.	.			trans	-75.3	158.1	168.2	62.7	0	0	0	0	111.1	E449 E450 I451	S447-E449 PolarHBondContact O-N 3.46Å; S447-E449 VanDerWaalsContact O-N 3.16Å; S447-E450 WeakPolarHBondContact CB-OE2 3.46Å; S447-E450 PolarHBondContact N-OE2 2.9Å; S447-E450 PolarHBondContact O-N 3.36Å; S447-E450 VanDerWaalsContact O-N 3.09Å; S447-E450 VanDerWaalsContact OG-CD 3.3Å; S447-E450 WeakPolarHBondContact OG-CG 3.31Å; S447-E450 PolarHBondContact OG-N 3.12Å; S447-E450 PolarHBondContact OG-OE2 2.94Å; S447-I451 WeakPolarHBondContact O-CG1 3.3Å; S447-I451 PolarHBondContact O-N 3.24Å; S447-I451 VanDerWaalsContact O-N 3.13Å
448	L	76.4	Confident	65.8	Low	2 Å²	2	61.4 Å²	61.4	1%	0.01	32%	0.318	C	S	.	.	H	α-helix	trans	-56	-32.9	175.2	-170	67.3	0	0	0	112.1	F72 L87 I88 H91 F92 H452	F72-L448 HydrophobicContact CD2-CB 4.46Å; F72-L448 HydrophobicContact CE2-CB 3.79Å; F72-L448 HydrophobicContact CE2-CD1 4.26Å; F72-L448 HydrophobicContact CZ-CB 4.47Å; F72-L448 HydrophobicContact CZ-CD1 4.24Å; L87-L448 HydrophobicContact CB-CD1 4.27Å; I88-L448 HydrophobicContact CG1-CD1 3.72Å; H91-L448 HydrophobicContact CB-CD2 4.49Å; F92-L448 HydrophobicContact CE2-CD2 4.04Å; F92-L448 HydrophobicContact CE2-CG 4.07Å; L448-H452 WeakPolarHBondContact O-CB 3.31Å; L448-H452 PolarHBondContact O-N 2.84Å
449	E	74.4	Confident	68.2	Low	20 Å²	20	55 Å²	55	9%	0.093	29%	0.294	C	S	.	.	H	α-helix	trans	-68.5	-40.5	177.8	-171.8	-178	153.4	0	0	112.3	R354 R356 S447 H452 S453	R354-E449 IonicContact CZ-OE1 2.73Å; R354-E449 VanDerWaalsContact CZ-OE1 3.27Å; R354-E449 IonicContact NE-OE1 2.99Å; R354-E449 IonicContact NH1-OE1 3.26Å; R354-E449 PolarHBondContact NH1-OE1 2.96Å; R356-E449 IonicContact CZ-OE2 2.79Å; R356-E449 VanDerWaalsContact CZ-OE2 3.24Å; R356-E449 IonicContact NE-OE2 2.59Å; R356-E449 PolarHBondContact NE-OE2 3.1Å; R356-E449 IonicContact NH1-OE2 3.03Å; R356-E449 PolarHBondContact NH1-OE2 3.04Å; R356-E449 IonicContact NH2-OE2 2.96Å; S447-E449 PolarHBondContact O-N 3.46Å; S447-E449 VanDerWaalsContact O-N 3.16Å; E449-H452 PolarHBondContact O-N 3.38Å; E449-S453 VanDerWaalsContact O-CB 3.31Å; E449-S453 WeakPolarHBondContact O-CB 3.45Å; E449-S453 PolarHBondContact O-N 3.48Å
450	E	76.3	Confident	70.7	Confident	36 Å²	36	51.3 Å²	51.3	17%	0.168	25%	0.254	C	S	.	.	H	α-helix	trans	-66.9	-42.2	176.8	-75.1	161.2	147.5	0	0	111.2	L446 S447 S453 I454 R497	L446-E450 HydrophobicContact CB-CB 4.5Å; L446-E450 HydrophobicContact CD2-CB 4.36Å; S447-E450 WeakPolarHBondContact CB-OE2 3.46Å; S447-E450 PolarHBondContact N-OE2 2.9Å; S447-E450 PolarHBondContact O-N 3.36Å; S447-E450 VanDerWaalsContact O-N 3.09Å; S447-E450 VanDerWaalsContact OG-CD 3.3Å; S447-E450 WeakPolarHBondContact OG-CG 3.31Å; S447-E450 PolarHBondContact OG-N 3.12Å; S447-E450 PolarHBondContact OG-OE2 2.94Å; E450-S453 WeakPolarHBondContact O-CB 3.37Å; E450-S453 PolarHBondContact O-N 2.79Å; E450-I454 VanDerWaalsContact O-CG1 3.32Å; E450-I454 WeakPolarHBondContact O-CG1 3.44Å; E450-I454 PolarHBondContact O-N 3.13Å; E450-R497 IonicContact OE1-CZ 2.88Å; E450-R497 VanDerWaalsContact OE1-CZ 3.26Å; E450-R497 IonicContact OE1-NE 3.76Å; E450-R497 PolarHBondContact OE1-NE 3.03Å; E450-R497 IonicContact OE1-NH2 3.2Å; E450-R497 PolarHBondContact OE1-NH2 2.76Å
451	I	77.4	Confident	73	Confident	3 Å²	3	43.6 Å²	43.6	2%	0.015	22%	0.221	C	C	.	.	H	α-helix	trans	-64.5	-43.1	176	-57.2	174.1	0	0	0	110.5	F72 I84 I88 L424 L446 S447 S453 I454 R455	F72-I451 HydrophobicContact CB-CD1 3.88Å; F72-I451 HydrophobicContact CD2-CD1 4.46Å; F72-I451 HydrophobicContact CG-CD1 4.24Å; I84-I451 HydrophobicContact CD1-CD1 4.36Å; I84-I451 HydrophobicContact CG2-CD1 3.87Å; I84-I451 HydrophobicContact CG2-CG2 3.91Å; I88-I451 HydrophobicContact CD1-CB 4.35Å; I88-I451 HydrophobicContact CD1-CG2 3.69Å; L424-I451 HydrophobicContact CD1-CG2 4.37Å; L446-I451 HydrophobicContact CB-CD1 4.18Å; L446-I451 HydrophobicContact CB-CG1 3.83Å; L446-I451 HydrophobicContact CD1-CG1 4.14Å; S447-I451 WeakPolarHBondContact O-CG1 3.3Å; S447-I451 PolarHBondContact O-N 3.24Å; S447-I451 VanDerWaalsContact O-N 3.13Å; I451-S453 VanDerWaalsContact C-N 3.33Å; I451-S453 PolarHBondContact O-N 2.87Å; I451-I454 PolarHBondContact O-N 2.76Å; I451-R455 WeakPolarHBondContact O-CB 3.49Å; I451-R455 PolarHBondContact O-N 2.05Å
452	H	80.3	Confident	75.1	Confident	21 Å²	21	37.7 Å²	37.7	10%	0.097	21%	0.207	C	C	.	.	H	α-helix	trans	-63.5	-38.7	174.4	176.9	-90.2	0	0	0	112	F92 Q357 L448 E449 R455 T456	F92-H452 HydrophobicContact CD1-CB 4.46Å; F92-H452 AromaticContact CD1-CD2 3.48Å; F92-H452 VanDerWaalsContact CD1-CD2 3.48Å; F92-H452 WeakPolarHBondContact CD1-CD2 3.42Å; F92-H452 AromaticContact CD1-CE1 3.56Å; F92-H452 AromaticContact CD1-CG 3.58Å; F92-H452 AromaticContact CD1-ND1 3.61Å; F92-H452 AromaticContact CD1-NE2 3.46Å; F92-H452 WeakPolarHBondContact CD1-NE2 3.23Å; F92-H452 HydrophobicContact CD2-CB 4.33Å; F92-H452 AromaticContact CD2-CD2 3.85Å; F92-H452 HydrophobicContact CE1-CB 4.23Å; F92-H452 AromaticContact CE1-CG 3.69Å; F92-H452 AromaticContact CE1-ND1 3.64Å; F92-H452 HydrophobicContact CE2-CB 4.09Å; F92-H452 AromaticContact CG-CD2 3.35Å; F92-H452 WeakPolarHBondContact CG-CD2 3.41Å; F92-H452 AromaticContact CG-CG 3.78Å; F92-H452 AromaticContact CG-NE2 3.63Å; F92-H452 HydrophobicContact CZ-CB 4.04Å; F92-H452 AromaticContact CZ-CG 3.99Å; Q357-H452 PolarHBondContact NE2-CE1 3.44Å; Q357-H452 VanDerWaalsContact NE2-CE1 3.29Å; Q357-H452 PolarHBondContact NE2-NE2 2.87Å; L448-H452 WeakPolarHBondContact O-CB 3.31Å; L448-H452 PolarHBondContact O-N 2.84Å; E449-H452 PolarHBondContact O-N 3.38Å; H452-R455 PolarHBondContact O-N 3.37Å; H452-T456 PolarHBondContact CE1-OG1 3.14Å; H452-T456 VanDerWaalsContact CE1-OG1 3.28Å; H452-T456 WeakPolarHBondContact O-CB 3.48Å; H452-T456 PolarHBondContact O-N 3.28Å; H452-T456 PolarHBondContact O-OG1 2.97Å
453	S	80.6	Confident	77.2	Confident	12 Å²	12	31.2 Å²	31.2	8%	0.084	18%	0.175	C	C	.	.	H	α-helix	trans	-63.2	-44.6	175.4	-173.8	0	0	0	0	111.6	E449 E450 I451 T456 F457	E449-S453 VanDerWaalsContact O-CB 3.31Å; E449-S453 WeakPolarHBondContact O-CB 3.45Å; E449-S453 PolarHBondContact O-N 3.48Å; E450-S453 WeakPolarHBondContact O-CB 3.37Å; E450-S453 PolarHBondContact O-N 2.79Å; I451-S453 VanDerWaalsContact C-N 3.33Å; I451-S453 PolarHBondContact O-N 2.87Å; S453-T456 PolarHBondContact O-N 3.16Å; S453-F457 WeakPolarHBondContact O-CB 3.42Å; S453-F457 PolarHBondContact O-N 3.28Å
454	I	79.9	Confident	79.1	Confident	13 Å²	13	27.5 Å²	27.5	7%	0.067	16%	0.155	C	C	.	.	H	α-helix	trans	-61.6	-47.6	174.9	-70.6	165.1	0	0	0	110.1	L420 L427 L446 E450 I451 T456 F457 V458 I504	L420-I454 HydrophobicContact CD1-CG2 4.44Å; L427-I454 HydrophobicContact CD1-CD1 4.42Å; L446-I454 HydrophobicContact CD1-CD1 4.17Å; E450-I454 VanDerWaalsContact O-CG1 3.32Å; E450-I454 WeakPolarHBondContact O-CG1 3.44Å; E450-I454 PolarHBondContact O-N 3.13Å; I451-I454 PolarHBondContact O-N 2.76Å; I454-T456 VanDerWaalsContact C-N 3.29Å; I454-T456 PolarHBondContact O-N 3.03Å; I454-F457 PolarHBondContact O-N 2.71Å; I454-V458 HydrophobicContact CG2-CG2 4.41Å; I454-V458 WeakPolarHBondContact O-CG2 3.49Å; I454-V458 PolarHBondContact O-N 3.28Å; I454-I504 HydrophobicContact CG1-CD1 4.13Å; I454-I504 HydrophobicContact CG2-CD1 3.84Å
455	R	81.5	Confident	80.4	Confident	40 Å²	40	26 Å²	26	15%	0.151	17%	0.169	C	C	.	.	H	α-helix	trans	-57	-43.6	176.6	-177	-179.4	179.5	-156.1	-5.3	112.2	I88 E89 L420 I451 H452 K459	I88-R455 VanDerWaalsContact CG2-NH1 3.27Å; E89-R455 IonicContact OE1-CZ 3.67Å; E89-R455 IonicContact OE1-NH1 3.63Å; E89-R455 PolarHBondContact OE1-NH1 3.08Å; E89-R455 IonicContact OE1-NH2 3.21Å; E89-R455 PolarHBondContact OE1-NH2 3.35Å; L420-R455 HydrophobicContact CD1-CB 3.55Å; L420-R455 HydrophobicContact CD1-CG 3.96Å; L420-R455 HydrophobicContact CD2-CG 4.41Å; I451-R455 WeakPolarHBondContact O-CB 3.49Å; I451-R455 PolarHBondContact O-N 2.05Å; H452-R455 PolarHBondContact O-N 3.37Å; R455-K459 WeakPolarHBondContact O-CB 3.37Å; R455-K459 PolarHBondContact O-N 2.92Å
456	T	84.4	Confident	81.4	Confident	30 Å²	30	27.4 Å²	27.4	18%	0.184	17%	0.169	C	C	.	.	H	α-helix	trans	-65.7	-44	179	-56.4	0	0	0	0	110.4	H452 S453 I454 K459 E460	H452-T456 PolarHBondContact CE1-OG1 3.14Å; H452-T456 VanDerWaalsContact CE1-OG1 3.28Å; H452-T456 WeakPolarHBondContact O-CB 3.48Å; H452-T456 PolarHBondContact O-N 3.28Å; H452-T456 PolarHBondContact O-OG1 2.97Å; S453-T456 PolarHBondContact O-N 3.16Å; I454-T456 VanDerWaalsContact C-N 3.29Å; I454-T456 PolarHBondContact O-N 3.03Å; T456-K459 WeakPolarHBondContact O-CB 3.37Å; T456-K459 PolarHBondContact O-N 3.38Å; T456-E460 HydrophobicContact CG2-CG 4.49Å; T456-E460 VanDerWaalsContact O-CG 3.28Å; T456-E460 WeakPolarHBondContact O-CG 3.48Å; T456-E460 PolarHBondContact O-N 3.05Å
457	F	86.8	Confident	82.4	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-65.6	-42.3	178.6	-175.2	-125.6	0	0	0	112.8	R285 F287 S453 I454 K459 E460 L461 L469 P472 L501 I504	R285-F457 HydrophobicContact CG-CD2 4.16Å; R285-F457 HydrophobicContact CG-CE2 4.4Å; F287-F457 HydrophobicContact CZ-CD2 4.31Å; F287-F457 HydrophobicContact CZ-CE2 4.06Å; S453-F457 WeakPolarHBondContact O-CB 3.42Å; S453-F457 PolarHBondContact O-N 3.28Å; I454-F457 PolarHBondContact O-N 2.71Å; F457-K459 VanDerWaalsContact C-N 3.26Å; F457-K459 PolarHBondContact O-N 3.1Å; F457-E460 WeakPolarHBondContact O-CB 3.3Å; F457-E460 PolarHBondContact O-N 2.84Å; F457-L461 HydrophobicContact CD1-CD1 4.07Å; F457-L461 HydrophobicContact CD2-CG 4.39Å; F457-L461 HydrophobicContact CE1-CD1 3.67Å; F457-L461 HydrophobicContact CE1-CG 4.33Å; F457-L461 HydrophobicContact CE2-CD1 4.3Å; F457-L461 HydrophobicContact CE2-CD2 4.12Å; F457-L461 HydrophobicContact CE2-CG 4.08Å; F457-L461 HydrophobicContact CZ-CD1 3.8Å; F457-L461 HydrophobicContact CZ-CD2 4.08Å; F457-L461 HydrophobicContact CZ-CG 4.06Å; F457-L461 WeakPolarHBondContact O-CG 3.47Å; F457-L461 PolarHBondContact O-N 3.12Å; F457-L469 HydrophobicContact CE2-CD1 4.05Å; F457-L469 HydrophobicContact CZ-CD1 4.27Å; F457-P472 HydrophobicContact CE1-CG 4.47Å; F457-P472 HydrophobicContact CZ-CG 3.93Å; F457-L501 HydrophobicContact CB-CD2 4.36Å; F457-L501 HydrophobicContact CD1-CD2 3.62Å; F457-L501 HydrophobicContact CE1-CB 4.21Å; F457-L501 HydrophobicContact CE1-CD2 4.12Å; F457-L501 WeakPolarHBondContact CE1-O 3.3Å; F457-L501 HydrophobicContact CG-CD2 4.11Å; F457-I504 HydrophobicContact CD1-CB 4.39Å; F457-I504 HydrophobicContact CD1-CG2 3.91Å; F457-I504 HydrophobicContact CE1-CB 4.3Å; F457-I504 HydrophobicContact CE1-CG2 4.05Å
458	V	83.4	Confident	83.1	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-58.6	-40.6	173	166.3	0	0	0	0	111.1	L419 Q423 I454 G462 I504 F508	L419-V458 HydrophobicContact CB-CG1 4.19Å; L419-V458 HydrophobicContact CD2-CG1 3.58Å; L419-V458 HydrophobicContact CG-CG1 3.66Å; Q423-V458 HydrophobicContact CG-CG2 4.36Å; I454-V458 HydrophobicContact CG2-CG2 4.41Å; I454-V458 WeakPolarHBondContact O-CG2 3.49Å; I454-V458 PolarHBondContact O-N 3.28Å; V458-G462 PolarHBondContact O-N 3.04Å; V458-G462 VanDerWaalsContact O-N 3.09Å; V458-I504 HydrophobicContact CG2-CG2 4.01Å; V458-F508 HydrophobicContact CG1-CZ 4.18Å
459	K	83.7	Confident	83.8	Confident	68 Å²	68	30.6 Å²	30.6	30%	0.296	18%	0.183	S	C	.	.	H	α-helix	trans	-65.3	-45	175.8	-171.8	-179.8	179.7	-177.1	0	111.6	S412 R455 T456 F457 G462 S463	S412-K459 WeakPolarHBondContact O-CE 3.36Å; S412-K459 PolarHBondContact O-NZ 2.98Å; R455-K459 WeakPolarHBondContact O-CB 3.37Å; R455-K459 PolarHBondContact O-N 2.92Å; T456-K459 WeakPolarHBondContact O-CB 3.37Å; T456-K459 PolarHBondContact O-N 3.38Å; F457-K459 VanDerWaalsContact C-N 3.26Å; F457-K459 PolarHBondContact O-N 3.1Å; K459-G462 PolarHBondContact O-N 3.3Å; K459-S463 PolarHBondContact O-N 2.99Å; K459-S463 PolarHBondContact O-OG 2.97Å
460	E	88.1	Confident	84.6	Confident	8 Å²	8	29.8 Å²	29.8	4%	0.037	18%	0.179	C	C	.	.	H	α-helix	trans	-59	-44.4	176.6	-73.5	165.1	174.2	0	0	111.8	T279 R285 F287 F409 T456 F457 G462 S463 L464	T279-E460 WeakPolarHBondContact CB-OE1 3.46Å; T279-E460 WeakPolarHBondContact CG2-OE1 3.38Å; T279-E460 PolarHBondContact OG1-OE1 3.38Å; T279-E460 VanDerWaalsContact OG1-OE1 3.06Å; T279-E460 PolarHBondContact OG1-OE2 2.7Å; R285-E460 IonicContact CZ-OE2 2.72Å; R285-E460 VanDerWaalsContact NH1-CD 3.25Å; R285-E460 IonicContact NH1-OE1 3.64Å; R285-E460 PolarHBondContact NH1-OE1 2.79Å; R285-E460 VanDerWaalsContact NH1-OE1 3.1Å; R285-E460 IonicContact NH1-OE2 2.64Å; R285-E460 PolarHBondContact NH1-OE2 3.28Å; F287-E460 HydrophobicContact CZ-CB 3.97Å; F409-E460 HydrophobicContact CE1-CB 4.4Å; F409-E460 HydrophobicContact CE1-CG 4.09Å; F409-E460 HydrophobicContact CE2-CB 4.33Å; F409-E460 WeakPolarHBondContact CE2-O 3.46Å; F409-E460 HydrophobicContact CZ-CB 3.75Å; F409-E460 HydrophobicContact CZ-CG 3.95Å; T456-E460 HydrophobicContact CG2-CG 4.49Å; T456-E460 VanDerWaalsContact O-CG 3.28Å; T456-E460 WeakPolarHBondContact O-CG 3.48Å; T456-E460 PolarHBondContact O-N 3.05Å; F457-E460 WeakPolarHBondContact O-CB 3.3Å; F457-E460 PolarHBondContact O-N 2.84Å; E460-G462 VanDerWaalsContact C-N 3.33Å; E460-G462 PolarHBondContact O-N 2.93Å; E460-S463 CarbonylContact O-C 3.39Å; E460-S463 PolarHBondContact O-N 2.98Å; E460-S463 VanDerWaalsContact O-N 3.15Å; E460-S463 PolarHBondContact O-OG 3.5Å; E460-L464 PolarHBondContact O-N 2.98Å
461	L	85.3	Confident	85.1	Confident	13 Å²	13	28.2 Å²	28.2	7%	0.068	17%	0.172	C	C	.	.	H	α-helix	trans	-65.3	-34.7	176.3	-69.2	177.4	0	0	0	112.6	F457 S463 L464 L469 I504 F508	F457-L461 HydrophobicContact CD1-CD1 4.07Å; F457-L461 HydrophobicContact CD2-CG 4.39Å; F457-L461 HydrophobicContact CE1-CD1 3.67Å; F457-L461 HydrophobicContact CE1-CG 4.33Å; F457-L461 HydrophobicContact CE2-CD1 4.3Å; F457-L461 HydrophobicContact CE2-CD2 4.12Å; F457-L461 HydrophobicContact CE2-CG 4.08Å; F457-L461 HydrophobicContact CZ-CD1 3.8Å; F457-L461 HydrophobicContact CZ-CD2 4.08Å; F457-L461 HydrophobicContact CZ-CG 4.06Å; F457-L461 WeakPolarHBondContact O-CG 3.47Å; F457-L461 PolarHBondContact O-N 3.12Å; L461-S463 PolarHBondContact O-N 3.38Å; L461-L464 WeakPolarHBondContact O-CD1 3.38Å; L461-L464 WeakPolarHBondContact O-CG 3.48Å; L461-L469 HydrophobicContact CD2-CD1 4.3Å; L461-L469 HydrophobicContact CD2-CD2 4.19Å; L461-I504 HydrophobicContact CD1-CG2 4.17Å; L461-F508 HydrophobicContact CB-CD1 4.19Å; L461-F508 HydrophobicContact CB-CD2 4.29Å; L461-F508 HydrophobicContact CB-CE1 4.28Å; L461-F508 HydrophobicContact CB-CE2 4.41Å; L461-F508 HydrophobicContact CB-CG 4.19Å; L461-F508 HydrophobicContact CB-CZ 4.4Å; L461-F508 HydrophobicContact CD1-CD2 3.53Å; L461-F508 HydrophobicContact CD1-CE2 3.83Å; L461-F508 HydrophobicContact CD1-CG 4.08Å
462	G	80.4	Confident	85.6	Confident	52 Å²	52	28.2 Å²	28.2	54%	0.536	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-9.6	174.5	0	0	0	0	0	114.7	V458 K459 E460	V458-G462 PolarHBondContact O-N 3.04Å; V458-G462 VanDerWaalsContact O-N 3.09Å; K459-G462 PolarHBondContact O-N 3.3Å; E460-G462 VanDerWaalsContact C-N 3.33Å; E460-G462 PolarHBondContact O-N 2.93Å
463	S	84.4	Confident	85.6	Confident	19 Å²	19	27.9 Å²	27.9	13%	0.133	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.9	28.8	-175.5	64.5	0	0	0	0	114	F409 K459 E460 L461 G465	F409-S463 VanDerWaalsContact CD2-O 3.22Å; F409-S463 WeakPolarHBondContact CD2-O 3.34Å; F409-S463 PolarHBondContact O-OG 3.21Å; F409-S463 VanDerWaalsContact O-OG 3.14Å; K459-S463 PolarHBondContact O-N 2.99Å; K459-S463 PolarHBondContact O-OG 2.97Å; E460-S463 CarbonylContact O-C 3.39Å; E460-S463 PolarHBondContact O-N 2.98Å; E460-S463 VanDerWaalsContact O-N 3.15Å; E460-S463 PolarHBondContact O-OG 3.5Å; L461-S463 PolarHBondContact O-N 3.38Å; S463-G465 VanDerWaalsContact C-N 3.32Å; S463-G465 PolarHBondContact O-N 2.98Å
464	L	84.4	Confident	85.2	Confident	29 Å²	29	30 Å²	30	15%	0.152	19%	0.185	C	C	.	.			trans	-52.9	-41.6	-175.5	-76.9	165.2	0	0	0	114	F287 F409 E460 L461 E466 F467	F287-L464 HydrophobicContact CD1-CD2 3.77Å; F287-L464 HydrophobicContact CE1-CD2 3.85Å; F409-L464 HydrophobicContact CE2-CD2 4.18Å; E460-L464 PolarHBondContact O-N 2.98Å; L461-L464 WeakPolarHBondContact O-CD1 3.38Å; L461-L464 WeakPolarHBondContact O-CG 3.48Å; L464-E466 PolarHBondContact O-N 2.91Å; L464-E466 VanDerWaalsContact O-N 3.12Å; L464-F467 WeakPolarHBondContact O-CB 3.42Å; L464-F467 PolarHBondContact O-N 3.19Å
465	G	86.5	Confident	85	Confident	77 Å²	77	31.1 Å²	31.1	79%	0.794	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.5	-118	-179.1	0	0	0	0	0	111.7	S463	S463-G465 VanDerWaalsContact C-N 3.32Å; S463-G465 PolarHBondContact O-N 2.98Å
466	E	88.7	Confident	84.5	Confident	87 Å²	87	34 Å²	34	41%	0.407	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-0.1	177.4	-68.4	-68	170.1	0	0	114	S290 K306 L464	S290-E466 WeakPolarHBondContact CB-O 3.36Å; S290-E466 PolarHBondContact N-O 3.34Å; S290-E466 PolarHBondContact OG-O 2.87Å; S290-E466 PolarHBondContact OG-OE2 3.06Å; K306-E466 IonicContact NZ-OE1 2.66Å; K306-E466 IonicContact NZ-OE2 3.43Å; K306-E466 PolarHBondContact NZ-OE2 3.11Å; L464-E466 PolarHBondContact O-N 2.91Å; L464-E466 VanDerWaalsContact O-N 3.12Å
467	F	91.9	Very high	83.9	Confident	7 Å²	7	33.7 Å²	33.7	3%	0.031	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	147.1	175.4	-71.2	-88.6	0	0	0	111.7	L277 F287 I288 H289 D405 F409 L464	L277-F467 HydrophobicContact CB-CD1 4.32Å; L277-F467 HydrophobicContact CB-CE1 3.76Å; L277-F467 HydrophobicContact CB-CZ 4.38Å; L277-F467 HydrophobicContact CD2-CE1 4.2Å; L277-F467 HydrophobicContact CD2-CZ 4.15Å; F287-F467 HydrophobicContact CB-CB 4.18Å; F287-F467 HydrophobicContact CB-CD1 4.02Å; F287-F467 HydrophobicContact CB-CG 4.43Å; I288-F467 WeakPolarHBondContact O-CA 3.35Å; H289-F467 HydrophobicContact CB-CD1 4.08Å; H289-F467 HydrophobicContact CB-CE1 3.81Å; H289-F467 HydrophobicContact CB-CZ 4.41Å; H289-F467 AromaticContact CD2-CE1 3.98Å; H289-F467 AromaticContact CD2-CE2 3.93Å; H289-F467 AromaticContact CD2-CZ 3.77Å; D405-F467 HydrophobicContact CB-CE2 4.32Å; F409-F467 HydrophobicContact CB-CD2 4.01Å; F409-F467 HydrophobicContact CB-CE2 4.09Å; F409-F467 HydrophobicContact CD2-CB 4.34Å; F409-F467 HydrophobicContact CD2-CD2 4.07Å; F409-F467 HydrophobicContact CD2-CG 4.44Å; F409-F467 HydrophobicContact CE2-CB 4.45Å; F409-F467 HydrophobicContact CG-CD2 4.04Å; F409-F467 HydrophobicContact CG-CE2 4.41Å; L464-F467 WeakPolarHBondContact O-CB 3.42Å; L464-F467 PolarHBondContact O-N 3.19Å
468	Q	91.1	Very high	83.3	Confident	58 Å²	58	33.7 Å²	33.7	27%	0.271	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	142	170.5	-61.1	-179.5	9.3	0	0	109.2	F287 I288 L470	F287-Q468 CarbonylContact C-O 3.6Å; F287-Q468 VanDerWaalsContact CA-O 3.27Å; F287-Q468 WeakPolarHBondContact CA-O 3.48Å; I288-Q468 HydrophobicContact CG2-CB 4.01Å; I288-Q468 PolarHBondContact N-O 3.41Å; I288-Q468 PolarHBondContact O-N 3.36Å; Q468-L470 PolarHBondContact O-N 2.03Å
469	L	91	Very high	82.8	Confident	49 Å²	49	36.8 Å²	36.8	26%	0.257	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	124.7	173.8	-176.4	67.1	0	0	0	109.4	F287 F457 L461 F471	F287-L469 HydrophobicContact CD1-CB 4.5Å; F287-L469 HydrophobicContact CD1-CD1 3.97Å; F287-L469 HydrophobicContact CE1-CD1 3.49Å; F287-L469 VanDerWaalsContact CE1-CD1 3.49Å; F287-L469 HydrophobicContact CZ-CD1 4Å; F457-L469 HydrophobicContact CE2-CD1 4.05Å; F457-L469 HydrophobicContact CZ-CD1 4.27Å; L461-L469 HydrophobicContact CD2-CD1 4.3Å; L461-L469 HydrophobicContact CD2-CD2 4.19Å; L469-F471 WeakPolarHBondContact CD1-O 3.38Å
470	L	90.1	Very high	82	Confident	4 Å²	4	37.4 Å²	37.4	2%	0.021	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	-40.8	176.5	-177.5	69	0	0	0	110.8	V276 A286 I288 K328 I331 S332 L335 Q468	V276-L470 HydrophobicContact CG1-CD2 3.98Å; A286-L470 HydrophobicContact CB-CB 4.33Å; A286-L470 HydrophobicContact CB-CD2 4.26Å; A286-L470 WeakPolarHBondContact O-CA 3.22Å; A286-L470 WeakPolarHBondContact O-CB 3.33Å; A286-L470 PolarHBondContact O-N 2.95Å; I288-L470 HydrophobicContact CB-CB 4.46Å; I288-L470 HydrophobicContact CG2-CB 4.44Å; I288-L470 HydrophobicContact CG2-CD1 4.43Å; K328-L470 HydrophobicContact CB-CD1 3.62Å; K328-L470 HydrophobicContact CG-CD1 3.8Å; I331-L470 HydrophobicContact CB-CD2 4.16Å; I331-L470 HydrophobicContact CG2-CD2 3.54Å; S332-L470 WeakPolarHBondContact OG-CG 3.34Å; S332-L470 PolarHBondContact OG-O 3.45Å; L335-L470 HydrophobicContact CD1-CD2 4.01Å; Q468-L470 PolarHBondContact O-N 2.03Å
471	F	88.2	Confident	81.2	Confident	2 Å²	2	37.9 Å²	37.9	1%	0.009	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	136.3	177.6	-163.1	-91.8	0	0	0	111.2	L284 A286 L336 L469 I478 M482 Y498	L284-F471 HydrophobicContact CB-CD1 3.7Å; L284-F471 HydrophobicContact CB-CE1 3.89Å; L284-F471 HydrophobicContact CD2-CB 4.16Å; L284-F471 HydrophobicContact CD2-CD1 3.58Å; L284-F471 HydrophobicContact CD2-CD2 4.37Å; L284-F471 HydrophobicContact CD2-CE1 4.05Å; L284-F471 HydrophobicContact CD2-CG 3.75Å; L284-F471 HydrophobicContact CG-CB 4.27Å; L284-F471 HydrophobicContact CG-CD1 3.54Å; L284-F471 HydrophobicContact CG-CE1 4.18Å; L284-F471 HydrophobicContact CG-CG 4.05Å; L284-F471 VanDerWaalsContact O-CD1 3.31Å; L284-F471 WeakPolarHBondContact O-CD1 3.39Å; A286-F471 HydrophobicContact CB-CB 4.17Å; A286-F471 PolarHBondContact N-O 3.06Å; A286-F471 VanDerWaalsContact N-O 3.09Å; A286-F471 PolarHBondContact O-N 3.48Å; L336-F471 HydrophobicContact CD1-CD2 4.4Å; L336-F471 HydrophobicContact CD1-CE2 3.85Å; L336-F471 HydrophobicContact CD1-CZ 4.45Å; L336-F471 HydrophobicContact CD2-CE1 4.13Å; L336-F471 HydrophobicContact CD2-CE2 3.75Å; L336-F471 HydrophobicContact CD2-CZ 3.49Å; L336-F471 VanDerWaalsContact CD2-CZ 3.49Å; L336-F471 HydrophobicContact CG-CD2 4.47Å; L336-F471 HydrophobicContact CG-CE2 4.01Å; L336-F471 HydrophobicContact CG-CZ 4.25Å; L469-F471 WeakPolarHBondContact CD1-O 3.38Å; F471-I478 HydrophobicContact CE2-CG2 4.05Å; F471-M482 HydrophobicContact CE2-CE 3.46Å; F471-M482 VanDerWaalsContact CE2-CE 3.46Å; F471-M482 HydrophobicContact CZ-CE 3.7Å; F471-M482 HydrophobicContact CZ-SD 4.36Å; F471-Y498 AromaticContact CE1-CD2 3.63Å; F471-Y498 HydrophobicContact CE1-CD2 3.63Å; F471-Y498 AromaticContact CE1-CE2 3.73Å; F471-Y498 HydrophobicContact CE1-CE2 3.73Å; F471-Y498 HydrophobicContact CE2-CD2 4.42Å; F471-Y498 AromaticContact CE2-CE2 3.76Å; F471-Y498 HydrophobicContact CE2-CE2 3.76Å; F471-Y498 AromaticContact CZ-CD2 3.38Å; F471-Y498 HydrophobicContact CZ-CD2 3.38Å; F471-Y498 AromaticContact CZ-CE2 3.12Å; F471-Y498 HydrophobicContact CZ-CE2 3.12Å
472	P	86.9	Confident	80.4	Confident	3 Å²	3	37.2 Å²	37.2	2%	0.019	25%	0.246	C	C	.	.	S	Bend	cis	-62.8	152.4	4.4	27.9	-38.5	0	0	0	114	F457 Y498 L501 L502	F457-P472 HydrophobicContact CE1-CG 4.47Å; F457-P472 HydrophobicContact CZ-CG 3.93Å; P472-Y498 HydrophobicContact CB-CD2 4.17Å; P472-Y498 HydrophobicContact CB-CE2 3.71Å; P472-L501 HydrophobicContact CG-CB 4.04Å; P472-L502 HydrophobicContact CB-CB 4.32Å; P472-L502 HydrophobicContact CB-CD1 4.02Å
473	S	81.4	Confident	79.7	Confident	14 Å²	14	39.4 Å²	39.4	10%	0.098	24%	0.242	C	C	.	.			trans	-129	137.2	-170	-170.5	0	0	0	0	112.7	V475 Y498	S473-V475 VanDerWaalsContact C-N 3.34Å; S473-V475 WeakPolarHBondContact OG-CG2 3.39Å; S473-V475 PolarHBondContact OG-N 2.77Å; S473-Y498 PolarHBondContact O-OH 3.21Å; S473-Y498 VanDerWaalsContact O-OH 3.13Å
474	T	72.4	Confident	78.8	Confident	58 Å²	58	43.8 Å²	43.8	36%	0.356	26%	0.26	S	S	.	.			trans	-89.9	2.6	173.6	53.3	0	0	0	0	113.2	L502 E506	T474-L502 HydrophobicContact CG2-CD1 3.89Å; T474-E506 HydrophobicContact CG2-CG 4.03Å
475	V	74.6	Confident	77.9	Confident	36 Å²	36	42.4 Å²	42.4	22%	0.218	25%	0.253	C	S	.	.			trans	-65.9	127.5	-177.6	176.1	0	0	0	0	109.7	S473 G477 I478 Q479	S473-V475 VanDerWaalsContact C-N 3.34Å; S473-V475 WeakPolarHBondContact OG-CG2 3.39Å; S473-V475 PolarHBondContact OG-N 2.77Å; V475-G477 VanDerWaalsContact C-N 3.25Å; V475-G477 PolarHBondContact O-N 2.87Å; V475-G477 VanDerWaalsContact O-N 3.14Å; V475-I478 HydrophobicContact CB-CD1 4.32Å; V475-I478 HydrophobicContact CB-CG1 4.47Å; V475-I478 PolarHBondContact O-N 3.02Å; V475-Q479 PolarHBondContact O-N 3.21Å
476	P	71.9	Confident	76.9	Confident	101 Å²	101	38.9 Å²	38.9	66%	0.656	22%	0.216	S	C	*	.	H	α-helix	trans	-54.5	-38.1	-175.6	-28.6	34.4	0	0	0	114	I478 Q479 S480	P476-I478 PolarHBondContact O-N 3.33Å; P476-Q479 PolarHBondContact O-N 2.94Å; P476-S480 WeakPolarHBondContact O-CB 3.4Å; P476-S480 PolarHBondContact O-N 3.12Å; P476-S480 PolarHBondContact O-OG 2.81Å
477	G	70.1	Confident	75.5	Confident	22 Å²	22	39.6 Å²	39.6	23%	0.227	22%	0.222	C	C	.	.	H	α-helix	trans	-68.8	-17.7	178.8	0	0	0	0	0	115	V475 S480 V481	V475-G477 VanDerWaalsContact C-N 3.25Å; V475-G477 PolarHBondContact O-N 2.87Å; V475-G477 VanDerWaalsContact O-N 3.14Å; G477-S480 PolarHBondContact O-OG 3.17Å; G477-V481 WeakPolarHBondContact O-CG2 3.16Å
478	I	74.3	Confident	73.7	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-92.6	-41.1	172.5	-68.2	175.8	0	0	0	109.9	E329 S332 L336 F471 V475 P476 S480 V481 M482	E329-I478 HydrophobicContact CG-CG1 4.13Å; S332-I478 VanDerWaalsContact CB-CD1 3.44Å; L336-I478 HydrophobicContact CD1-CG2 4.07Å; F471-I478 HydrophobicContact CE2-CG2 4.05Å; V475-I478 HydrophobicContact CB-CD1 4.32Å; V475-I478 HydrophobicContact CB-CG1 4.47Å; V475-I478 PolarHBondContact O-N 3.02Å; P476-I478 PolarHBondContact O-N 3.33Å; I478-S480 PolarHBondContact O-N 3.43Å; I478-V481 WeakPolarHBondContact O-CG2 3.48Å; I478-V481 PolarHBondContact O-N 3.5Å; I478-M482 HydrophobicContact CG2-CE 3.13Å; I478-M482 WeakPolarHBondContact O-CG 3.42Å; I478-M482 PolarHBondContact O-N 2.76Å
479	Q	72.8	Confident	71.8	Confident	65 Å²	65	42.4 Å²	42.4	30%	0.304	24%	0.238	S	C	.	.	H	α-helix	trans	-63.3	-39.1	178.4	-71.2	-173	-21.9	0	0	112.6	V475 P476 V481 M482	V475-Q479 PolarHBondContact O-N 3.21Å; P476-Q479 PolarHBondContact O-N 2.94Å; Q479-V481 PolarHBondContact O-N 2.8Å; Q479-M482 WeakPolarHBondContact O-CB 3.36Å; Q479-M482 PolarHBondContact O-N 2.82Å
480	S	68.8	Low	69.9	Low	80 Å²	80	45.7 Å²	45.7	56%	0.559	26%	0.256	S	S	*	.	H	α-helix	trans	-62.2	-29	179.8	61.3	0	0	0	0	113.6	P476 G477 I478	P476-S480 WeakPolarHBondContact O-CB 3.4Å; P476-S480 PolarHBondContact O-N 3.12Å; P476-S480 PolarHBondContact O-OG 2.81Å; G477-S480 PolarHBondContact O-OG 3.17Å; I478-S480 PolarHBondContact O-N 3.43Å
481	V	69.6	Low	67.9	Low	18 Å²	18	49 Å²	49	11%	0.109	28%	0.278	C	S	.	.	H	α-helix	trans	-96.2	-6.7	-177.7	-66.1	0	0	0	0	112.8	G477 I478 Q479 H483 E484 F485	G477-V481 WeakPolarHBondContact O-CG2 3.16Å; I478-V481 WeakPolarHBondContact O-CG2 3.48Å; I478-V481 PolarHBondContact O-N 3.5Å; Q479-V481 PolarHBondContact O-N 2.8Å; V481-H483 PolarHBondContact O-N 3.01Å; V481-E484 PolarHBondContact O-N 2.03Å; V481-F485 HydrophobicContact CB-CD2 3.76Å; V481-F485 HydrophobicContact CB-CE2 3.68Å; V481-F485 HydrophobicContact CG2-CD2 3.75Å; V481-F485 HydrophobicContact CG2-CE2 3.45Å; V481-F485 VanDerWaalsContact CG2-CE2 3.45Å; V481-F485 WeakPolarHBondContact O-CD2 3.26Å; V481-F485 PolarHBondContact O-N 3.5Å
482	M	69.8	Low	66.1	Low	0 Å²	0	53.5 Å²	53.5	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-59.4	-46.5	-177.6	-79.2	-61.9	143.7	0	0	113.2	L336 F471 I478 Q479 E484 F485 Y486 Y498	L336-M482 HydrophobicContact CD1-CE 3.49Å; L336-M482 VanDerWaalsContact CD1-CE 3.49Å; L336-M482 HydrophobicContact CD2-CE 3.9Å; L336-M482 HydrophobicContact CD2-SD 4.49Å; L336-M482 HydrophobicContact CG-CE 4.33Å; F471-M482 HydrophobicContact CE2-CE 3.46Å; F471-M482 VanDerWaalsContact CE2-CE 3.46Å; F471-M482 HydrophobicContact CZ-CE 3.7Å; F471-M482 HydrophobicContact CZ-SD 4.36Å; I478-M482 HydrophobicContact CG2-CE 3.13Å; I478-M482 WeakPolarHBondContact O-CG 3.42Å; I478-M482 PolarHBondContact O-N 2.76Å; Q479-M482 WeakPolarHBondContact O-CB 3.36Å; Q479-M482 PolarHBondContact O-N 2.82Å; M482-E484 VanDerWaalsContact C-N 3.35Å; M482-F485 PolarHBondContact O-N 2.91Å; M482-Y486 VanDerWaalsContact O-CD2 3.31Å; M482-Y486 WeakPolarHBondContact O-CD2 3.21Å; M482-Y486 PolarHBondContact O-N 3.05Å; M482-Y486 HydrophobicContact SD-CD2 4.03Å; M482-Y486 HydrophobicContact SD-CE2 3.58Å; M482-Y486 VanDerWaalsContact SD-CE2 3.58Å; M482-Y498 HydrophobicContact CE-CE2 4.26Å; M482-Y498 HydrophobicContact CG-CE1 3.81Å; M482-Y498 HydrophobicContact SD-CD1 4.23Å; M482-Y498 HydrophobicContact SD-CD2 4.44Å; M482-Y498 HydrophobicContact SD-CE1 3.89Å; M482-Y498 HydrophobicContact SD-CE2 4.12Å; M482-Y498 HydrophobicContact SD-CG 4.48Å
483	H	65.8	Low	64.8	Low	97 Å²	97	56 Å²	56	45%	0.449	33%	0.327	S	S	.	.	H	α-helix	trans	-63.3	-43	176.3	-73.4	-76.2	0	0	0	110.7	V481 F485 Y486 D487	V481-H483 PolarHBondContact O-N 3.01Å; H483-F485 VanDerWaalsContact C-N 3.33Å; H483-F485 PolarHBondContact O-N 2.86Å; H483-Y486 PolarHBondContact O-N 2.84Å; H483-D487 WeakPolarHBondContact O-CB 3.5Å; H483-D487 PolarHBondContact O-N 3.48Å
484	E	65.6	Low	64.1	Low	112 Å²	112	56 Å²	56	52%	0.523	33%	0.326	S	S	.	.	H	α-helix	trans	-62.1	-37	176.7	-59.9	-178.5	171.9	0	0	113.1	V481 M482 M488	V481-E484 PolarHBondContact O-N 2.03Å; M482-E484 VanDerWaalsContact C-N 3.35Å; E484-M488 WeakPolarHBondContact O-CE 3.46Å
485	F	65.4	Low	63.8	Low	0 Å²	0	54.2 Å²	54.2	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-71.2	-45.3	177.1	-84	-66.3	0	0	0	113	L207 L336 V337 V340 V481 M482 H483	L207-F485 HydrophobicContact CD1-CD1 4.24Å; L207-F485 HydrophobicContact CD1-CE1 3.22Å; L207-F485 HydrophobicContact CD1-CE2 4.48Å; L207-F485 HydrophobicContact CD1-CZ 3.38Å; L207-F485 HydrophobicContact CD2-CE1 4.1Å; L207-F485 HydrophobicContact CD2-CE2 4.04Å; L207-F485 HydrophobicContact CD2-CZ 3.67Å; L207-F485 HydrophobicContact CG-CE1 4.31Å; L207-F485 HydrophobicContact CG-CZ 4.15Å; L336-F485 HydrophobicContact CB-CZ 4.43Å; L336-F485 HydrophobicContact CD1-CE2 4.43Å; V337-F485 HydrophobicContact CG2-CE1 3.55Å; V337-F485 HydrophobicContact CG2-CZ 4.03Å; V340-F485 HydrophobicContact CG2-CB 4.49Å; V340-F485 HydrophobicContact CG2-CD1 4.42Å; V481-F485 HydrophobicContact CB-CD2 3.76Å; V481-F485 HydrophobicContact CB-CE2 3.68Å; V481-F485 HydrophobicContact CG2-CD2 3.75Å; V481-F485 HydrophobicContact CG2-CE2 3.45Å; V481-F485 VanDerWaalsContact CG2-CE2 3.45Å; V481-F485 WeakPolarHBondContact O-CD2 3.26Å; V481-F485 PolarHBondContact O-N 3.5Å; M482-F485 PolarHBondContact O-N 2.91Å; H483-F485 VanDerWaalsContact C-N 3.33Å; H483-F485 PolarHBondContact O-N 2.86Å
486	Y	64.9	Low	63.5	Low	3 Å²	3	55.2 Å²	55.2	1%	0.012	32%	0.323	C	S	.	.	H	α-helix	trans	-91.6	-17.3	-173.2	-72.9	-69.5	0	0	0	114.3	E339 M482 H483 M488 A489 L494 L495 Y498	E339-Y486 PolarHBondContact OE2-OH 3.31Å; M482-Y486 VanDerWaalsContact O-CD2 3.31Å; M482-Y486 WeakPolarHBondContact O-CD2 3.21Å; M482-Y486 PolarHBondContact O-N 3.05Å; M482-Y486 HydrophobicContact SD-CD2 4.03Å; M482-Y486 HydrophobicContact SD-CE2 3.58Å; M482-Y486 VanDerWaalsContact SD-CE2 3.58Å; H483-Y486 PolarHBondContact O-N 2.84Å; Y486-M488 PolarHBondContact O-N 3.11Å; Y486-A489 CarbonylContact O-C 3.52Å; Y486-A489 PolarHBondContact O-N 3.4Å; Y486-L494 HydrophobicContact CD1-CB 3.71Å; Y486-L494 HydrophobicContact CE1-CB 3.61Å; Y486-L494 HydrophobicContact CE1-CD1 4.36Å; Y486-L495 HydrophobicContact CD2-CD1 3.75Å; Y486-L495 HydrophobicContact CG-CB 4.26Å; Y486-L495 HydrophobicContact CG-CD1 4.15Å; Y486-Y498 HydrophobicContact CE2-CG 4.49Å
487	D	58.2	Low	63.5	Low	101 Å²	101	53.8 Å²	53.8	54%	0.54	30%	0.304	S	S	.	.	S	Bend	trans	-71.5	-21.1	170.2	-72	-19.7	0	0	0	111.7	H483	H483-D487 WeakPolarHBondContact O-CB 3.5Å; H483-D487 PolarHBondContact O-N 3.48Å
488	M	54.6	Low	63.7	Low	116 Å²	116	52.8 Å²	52.8	57%	0.571	29%	0.294	S	S	*	.	S	Bend	trans	-87	-20.5	174.5	-72	-162.8	-82.4	0	0	113.8	F204 E484 Y486	F204-M488 HydrophobicContact CD1-CE 4.09Å; F204-M488 HydrophobicContact CE1-CE 3.93Å; F204-M488 HydrophobicContact CE1-SD 4.46Å; E484-M488 WeakPolarHBondContact O-CE 3.46Å; Y486-M488 PolarHBondContact O-N 3.11Å
489	A	50.5	Low	63.7	Low	9 Å²	9	56.9 Å²	56.9	7%	0.074	31%	0.309	C	S	.	.	S	Bend	trans	-94.5	169.4	169.4	0	0	0	0	0	109.3	V340 E343 Y486 P491	V340-A489 HydrophobicContact CG1-CB 4.38Å; E343-A489 WeakPolarHBondContact OE2-CB 3.44Å; Y486-A489 CarbonylContact O-C 3.52Å; Y486-A489 PolarHBondContact O-N 3.4Å; A489-P491 WeakPolarHBondContact O-CA 3.49Å; A489-P491 WeakPolarHBondContact O-CD 3.48Å
490	N	52.6	Low	63.7	Low	118 Å²	118	56 Å²	56	63%	0.631	31%	0.311	S	S	*	.			trans	-58.3	116.8	-176.9	-121.9	-27.8	0	0	0	111.4	S492	N490-S492 PolarHBondContact O-N 2.99Å; N490-S492 VanDerWaalsContact O-N 3.08Å
491	P	46.5	Very low	64.1	Low	73 Å²	73	52.6 Å²	52.6	47%	0.474	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-4.4	-143.5	22.2	-33.6	0	0	0	118	A489	A489-P491 WeakPolarHBondContact O-CA 3.49Å; A489-P491 WeakPolarHBondContact O-CD 3.48Å
492	S	51.2	Low	64.6	Low	97 Å²	97	51.9 Å²	51.9	68%	0.678	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.3	-26.7	-167.8	59.7	0	0	0	0	116.8	N490 S496	N490-S492 PolarHBondContact O-N 2.99Å; N490-S492 VanDerWaalsContact O-N 3.08Å; S492-S496 WeakPolarHBondContact O-CB 3.27Å; S492-S496 PolarHBondContact O-OG 3.33Å
493	S	60.4	Low	64.7	Low	55 Å²	55	54.5 Å²	54.5	39%	0.385	30%	0.295	S	S	.	.	H	α-helix	trans	-98.2	-32.1	-170.1	71.3	0	0	0	0	115.1	S496 R497	S493-S496 WeakPolarHBondContact CA-OG 3.47Å; S493-S496 PolarHBondContact O-OG 2.88Å; S493-S496 VanDerWaalsContact O-OG 3.05Å; S493-R497 WeakPolarHBondContact O-CD 3.45Å; S493-R497 VanDerWaalsContact O-CG 3.23Å; S493-R497 WeakPolarHBondContact O-CG 3.23Å; S493-R497 PolarHBondContact O-N 2.8Å
494	L	65.2	Low	65.2	Low	15 Å²	15	49.9 Å²	49.9	8%	0.079	27%	0.274	C	S	.	.	H	α-helix	trans	-80.2	-41.7	179	-71.6	172.9	0	0	0	111.6	Y486 S496 R497 Y498	Y486-L494 HydrophobicContact CD1-CB 3.71Å; Y486-L494 HydrophobicContact CE1-CB 3.61Å; Y486-L494 HydrophobicContact CE1-CD1 4.36Å; L494-S496 PolarHBondContact O-N 2.92Å; L494-R497 PolarHBondContact O-N 3.11Å; L494-Y498 PolarHBondContact O-N 3.43Å
495	L	68.1	Low	65.8	Low	20 Å²	20	45 Å²	45	11%	0.105	25%	0.253	C	S	.	.	H	α-helix	trans	-61.7	-43.4	176.8	-173.2	62.1	0	0	0	111.6	Y486 R497 Y498 W499	Y486-L495 HydrophobicContact CD2-CD1 3.75Å; Y486-L495 HydrophobicContact CG-CB 4.26Å; Y486-L495 HydrophobicContact CG-CD1 4.15Å; L495-R497 PolarHBondContact O-N 3.47Å; L495-Y498 HydrophobicContact CD1-CD1 4.48Å; L495-Y498 WeakPolarHBondContact O-CB 3.5Å; L495-Y498 PolarHBondContact O-N 2.9Å; L495-W499 PolarHBondContact O-N 3.45Å
496	S	67	Low	66.1	Low	57 Å²	57	49.4 Å²	49.4	40%	0.399	27%	0.273	S	S	.	.	H	α-helix	trans	-64.2	-38.4	175.7	50.5	0	0	0	0	112.9	S492 S493 L494 S500	S492-S496 WeakPolarHBondContact O-CB 3.27Å; S492-S496 PolarHBondContact O-OG 3.33Å; S493-S496 WeakPolarHBondContact CA-OG 3.47Å; S493-S496 PolarHBondContact O-OG 2.88Å; S493-S496 VanDerWaalsContact O-OG 3.05Å; L494-S496 PolarHBondContact O-N 2.92Å; S496-S500 WeakPolarHBondContact O-CB 3.44Å; S496-S500 PolarHBondContact O-N 2.69Å; S496-S500 PolarHBondContact O-OG 2.96Å
497	R	71.9	Confident	66.1	Low	70 Å²	70	51.7 Å²	51.7	26%	0.264	28%	0.284	S	S	.	.	H	α-helix	trans	-66.1	-38.4	172.7	-74.6	172.7	177.5	170.4	3.7	112.3	P283 E450 S493 L494 L495 S500 L501	P283-R497 HydrophobicContact CB-CB 4.39Å; E450-R497 IonicContact OE1-CZ 2.88Å; E450-R497 VanDerWaalsContact OE1-CZ 3.26Å; E450-R497 IonicContact OE1-NE 3.76Å; E450-R497 PolarHBondContact OE1-NE 3.03Å; E450-R497 IonicContact OE1-NH2 3.2Å; E450-R497 PolarHBondContact OE1-NH2 2.76Å; S493-R497 WeakPolarHBondContact O-CD 3.45Å; S493-R497 VanDerWaalsContact O-CG 3.23Å; S493-R497 WeakPolarHBondContact O-CG 3.23Å; S493-R497 PolarHBondContact O-N 2.8Å; L494-R497 PolarHBondContact O-N 3.11Å; L495-R497 PolarHBondContact O-N 3.47Å; R497-S500 PolarHBondContact O-N 2.74Å; R497-L501 WeakPolarHBondContact O-CG 3.06Å; R497-L501 PolarHBondContact O-N 3.31Å; R497-L501 VanDerWaalsContact O-N 3.07Å
498	Y	75.4	Confident	66.3	Low	2 Å²	2	48.7 Å²	48.7	1%	0.008	27%	0.266	C	S	.	.	H	α-helix	trans	-61.1	-52.6	174	166.1	-101.2	0	0	0	111.4	F471 P472 S473 M482 Y486 L494 L495 S500 L501 L502	F471-Y498 AromaticContact CE1-CD2 3.63Å; F471-Y498 HydrophobicContact CE1-CD2 3.63Å; F471-Y498 AromaticContact CE1-CE2 3.73Å; F471-Y498 HydrophobicContact CE1-CE2 3.73Å; F471-Y498 HydrophobicContact CE2-CD2 4.42Å; F471-Y498 AromaticContact CE2-CE2 3.76Å; F471-Y498 HydrophobicContact CE2-CE2 3.76Å; F471-Y498 AromaticContact CZ-CD2 3.38Å; F471-Y498 HydrophobicContact CZ-CD2 3.38Å; F471-Y498 AromaticContact CZ-CE2 3.12Å; F471-Y498 HydrophobicContact CZ-CE2 3.12Å; P472-Y498 HydrophobicContact CB-CD2 4.17Å; P472-Y498 HydrophobicContact CB-CE2 3.71Å; S473-Y498 PolarHBondContact O-OH 3.21Å; S473-Y498 VanDerWaalsContact O-OH 3.13Å; M482-Y498 HydrophobicContact CE-CE2 4.26Å; M482-Y498 HydrophobicContact CG-CE1 3.81Å; M482-Y498 HydrophobicContact SD-CD1 4.23Å; M482-Y498 HydrophobicContact SD-CD2 4.44Å; M482-Y498 HydrophobicContact SD-CE1 3.89Å; M482-Y498 HydrophobicContact SD-CE2 4.12Å; M482-Y498 HydrophobicContact SD-CG 4.48Å; Y486-Y498 HydrophobicContact CE2-CG 4.49Å; L494-Y498 PolarHBondContact O-N 3.43Å; L495-Y498 HydrophobicContact CD1-CD1 4.48Å; L495-Y498 WeakPolarHBondContact O-CB 3.5Å; L495-Y498 PolarHBondContact O-N 2.9Å; Y498-S500 VanDerWaalsContact C-N 3.25Å; Y498-S500 PolarHBondContact O-N 3.4Å; Y498-L501 PolarHBondContact O-N 3.48Å; Y498-L501 VanDerWaalsContact O-N 3.08Å; Y498-L502 HydrophobicContact CE1-CD2 4.28Å; Y498-L502 PolarHBondContact O-N 3.38Å
499	W	72.5	Confident	66.2	Low	86 Å²	86	49.5 Å²	49.5	33%	0.326	26%	0.263	S	S	.	.	H	α-helix	trans	-58.9	-38.6	178.1	-69.1	120.6	0	0	0	111.9	L495 L501 L502 N503	L495-W499 PolarHBondContact O-N 3.45Å; W499-L501 PolarHBondContact O-N 3.11Å; W499-L502 HydrophobicContact CE3-CD2 3.7Å; W499-L502 HydrophobicContact CZ3-CD2 3.58Å; W499-L502 PolarHBondContact O-N 3.3Å; W499-N503 PolarHBondContact O-N 3.29Å; W499-N503 PolarHBondContact O-OD1 3.28Å
500	S	73.3	Confident	65.7	Low	48 Å²	48	53.8 Å²	53.8	34%	0.336	29%	0.29	S	S	.	.	H	α-helix	trans	-60.5	-44.2	174.7	-58.5	0	0	0	0	112.4	S496 R497 Y498 I504	S496-S500 WeakPolarHBondContact O-CB 3.44Å; S496-S500 PolarHBondContact O-N 2.69Å; S496-S500 PolarHBondContact O-OG 2.96Å; R497-S500 PolarHBondContact O-N 2.74Å; Y498-S500 VanDerWaalsContact C-N 3.25Å; Y498-S500 PolarHBondContact O-N 3.4Å; S500-I504 WeakPolarHBondContact O-CD1 3.25Å; S500-I504 VanDerWaalsContact O-CG1 3.29Å; S500-I504 WeakPolarHBondContact O-CG1 3.44Å; S500-I504 PolarHBondContact O-N 3.25Å
501	L	77.6	Confident	64.7	Low	8 Å²	8	56.5 Å²	56.5	4%	0.042	30%	0.301	C	S	.	.	H	α-helix	trans	-70.1	-36.1	176.3	-68.5	-175.6	0	0	0	112.6	P283 R285 F457 P472 R497 Y498 W499 I504 S505	P283-L501 HydrophobicContact CB-CD1 3.73Å; P283-L501 HydrophobicContact CG-CD1 3.36Å; P283-L501 HydrophobicContact CG-CG 4.28Å; R285-L501 HydrophobicContact CG-CD1 3.99Å; F457-L501 HydrophobicContact CB-CD2 4.36Å; F457-L501 HydrophobicContact CD1-CD2 3.62Å; F457-L501 HydrophobicContact CE1-CB 4.21Å; F457-L501 HydrophobicContact CE1-CD2 4.12Å; F457-L501 WeakPolarHBondContact CE1-O 3.3Å; F457-L501 HydrophobicContact CG-CD2 4.11Å; P472-L501 HydrophobicContact CG-CB 4.04Å; R497-L501 WeakPolarHBondContact O-CG 3.06Å; R497-L501 PolarHBondContact O-N 3.31Å; R497-L501 VanDerWaalsContact O-N 3.07Å; Y498-L501 PolarHBondContact O-N 3.48Å; Y498-L501 VanDerWaalsContact O-N 3.08Å; W499-L501 PolarHBondContact O-N 3.11Å; L501-I504 HydrophobicContact CD2-CD1 4.41Å; L501-I504 PolarHBondContact O-N 3.38Å; L501-S505 PolarHBondContact O-N 3.3Å
502	L	79.5	Confident	64.1	Low	2 Å²	2	57.9 Å²	57.9	1%	0.01	30%	0.304	C	S	.	.	H	α-helix	trans	-62.8	-48.1	176.6	-172.5	69.8	0	0	0	110.3	P472 T474 Y498 W499 I504 S505 E506	P472-L502 HydrophobicContact CB-CB 4.32Å; P472-L502 HydrophobicContact CB-CD1 4.02Å; T474-L502 HydrophobicContact CG2-CD1 3.89Å; Y498-L502 HydrophobicContact CE1-CD2 4.28Å; Y498-L502 PolarHBondContact O-N 3.38Å; W499-L502 HydrophobicContact CE3-CD2 3.7Å; W499-L502 HydrophobicContact CZ3-CD2 3.58Å; W499-L502 PolarHBondContact O-N 3.3Å; L502-I504 VanDerWaalsContact C-N 3.29Å; L502-I504 PolarHBondContact O-N 3.32Å; L502-S505 WeakPolarHBondContact CA-OG 3.49Å; L502-S505 WeakPolarHBondContact O-CA 3.32Å; L502-S505 PolarHBondContact O-N 2.94Å; L502-S505 PolarHBondContact O-OG 3.49Å; L502-E506 PolarHBondContact O-N 3.3Å
503	N	73.4	Confident	63.2	Low	55 Å²	55	58.8 Å²	58.8	29%	0.294	30%	0.296	S	S	.	.	H	α-helix	trans	-57.1	-43	175.9	-74.5	13.5	0	0	0	111.5	W499 S505 Q507	W499-N503 PolarHBondContact O-N 3.29Å; W499-N503 PolarHBondContact O-OD1 3.28Å; N503-S505 VanDerWaalsContact C-N 3.33Å; N503-S505 PolarHBondContact O-N 3.4Å; N503-Q507 WeakPolarHBondContact O-CG 3.43Å; N503-Q507 PolarHBondContact O-N 3.12Å
504	I	75.7	Confident	61.7	Low	0 Å²	0	66 Å²	66	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-60.4	-45.4	174.5	-67.8	161.6	0	0	0	110.1	I454 F457 V458 L461 S500 L501 L502 Q507 F508	I454-I504 HydrophobicContact CG1-CD1 4.13Å; I454-I504 HydrophobicContact CG2-CD1 3.84Å; F457-I504 HydrophobicContact CD1-CB 4.39Å; F457-I504 HydrophobicContact CD1-CG2 3.91Å; F457-I504 HydrophobicContact CE1-CB 4.3Å; F457-I504 HydrophobicContact CE1-CG2 4.05Å; V458-I504 HydrophobicContact CG2-CG2 4.01Å; L461-I504 HydrophobicContact CD1-CG2 4.17Å; S500-I504 WeakPolarHBondContact O-CD1 3.25Å; S500-I504 VanDerWaalsContact O-CG1 3.29Å; S500-I504 WeakPolarHBondContact O-CG1 3.44Å; S500-I504 PolarHBondContact O-N 3.25Å; L501-I504 HydrophobicContact CD2-CD1 4.41Å; L501-I504 PolarHBondContact O-N 3.38Å; L502-I504 VanDerWaalsContact C-N 3.29Å; L502-I504 PolarHBondContact O-N 3.32Å; I504-Q507 PolarHBondContact O-N 3.25Å; I504-F508 HydrophobicContact CG2-CE2 4.16Å; I504-F508 VanDerWaalsContact O-CD2 3.26Å; I504-F508 WeakPolarHBondContact O-CD2 3.02Å
505	S	77.5	Confident	59.9	Low	11 Å²	11	73.9 Å²	73.9	8%	0.077	36%	0.357	C	S	.	.	H	α-helix	trans	-66.8	-39.1	-177.8	72.8	0	0	0	0	114	L501 L502 N503 Q507 F508	L501-S505 PolarHBondContact O-N 3.3Å; L502-S505 WeakPolarHBondContact CA-OG 3.49Å; L502-S505 WeakPolarHBondContact O-CA 3.32Å; L502-S505 PolarHBondContact O-N 2.94Å; L502-S505 PolarHBondContact O-OG 3.49Å; N503-S505 VanDerWaalsContact C-N 3.33Å; N503-S505 PolarHBondContact O-N 3.4Å; S505-Q507 PolarHBondContact O-N 3.36Å; S505-F508 PolarHBondContact O-N 2.58Å; S505-F508 VanDerWaalsContact O-N 3.11Å
506	E	72.8	Confident	58	Low	92 Å²	92	78.4 Å²	78.4	43%	0.43	38%	0.377	S	S	.	.	H	α-helix	trans	-63.1	-27.9	177.5	-72.9	-171.4	165.4	0	0	112.1	T474 L502 F508 W509 P510	T474-E506 HydrophobicContact CG2-CG 4.03Å; L502-E506 PolarHBondContact O-N 3.3Å; E506-F508 VanDerWaalsContact C-N 3.31Å; E506-F508 PolarHBondContact O-N 2.99Å; E506-W509 WeakPolarHBondContact O-CB 3.08Å; E506-W509 PolarHBondContact O-N 2.7Å; E506-P510 WeakPolarHBondContact O-CD 3.39Å
507	Q	64.9	Low	56.1	Low	50 Å²	50	81.1 Å²	81.1	23%	0.234	39%	0.387	C	S	.	.	H	α-helix	trans	-73.7	-19.6	177.1	-68.3	179.9	41.8	0	0	113.9	Q423 N503 I504 S505 P510	Q423-Q507 VanDerWaalsContact OE1-OE1 3.09Å; N503-Q507 WeakPolarHBondContact O-CG 3.43Å; N503-Q507 PolarHBondContact O-N 3.12Å; I504-Q507 PolarHBondContact O-N 3.25Å; S505-Q507 PolarHBondContact O-N 3.36Å; Q507-P510 VanDerWaalsContact O-CD 3.23Å; Q507-P510 WeakPolarHBondContact O-CD 3.41Å
508	F	62.9	Low	53.8	Low	39 Å²	39	85.1 Å²	85.1	17%	0.171	41%	0.408	C	S	.	.	H	α-helix	trans	-86.2	-12.8	171.4	-74.7	-94.8	0	0	0	112.6	L419 V458 L461 I504 S505 E506 P510 M511	L419-F508 HydrophobicContact CD1-CE1 4.44Å; L419-F508 HydrophobicContact CD1-CZ 4.09Å; L419-F508 HydrophobicContact CD2-CE1 3.76Å; L419-F508 HydrophobicContact CD2-CZ 3.61Å; L419-F508 HydrophobicContact CG-CE1 4.49Å; L419-F508 HydrophobicContact CG-CZ 3.99Å; V458-F508 HydrophobicContact CG1-CZ 4.18Å; L461-F508 HydrophobicContact CB-CD1 4.19Å; L461-F508 HydrophobicContact CB-CD2 4.29Å; L461-F508 HydrophobicContact CB-CE1 4.28Å; L461-F508 HydrophobicContact CB-CE2 4.41Å; L461-F508 HydrophobicContact CB-CG 4.19Å; L461-F508 HydrophobicContact CB-CZ 4.4Å; L461-F508 HydrophobicContact CD1-CD2 3.53Å; L461-F508 HydrophobicContact CD1-CE2 3.83Å; L461-F508 HydrophobicContact CD1-CG 4.08Å; I504-F508 HydrophobicContact CG2-CE2 4.16Å; I504-F508 VanDerWaalsContact O-CD2 3.26Å; I504-F508 WeakPolarHBondContact O-CD2 3.02Å; S505-F508 PolarHBondContact O-N 2.58Å; S505-F508 VanDerWaalsContact O-N 3.11Å; E506-F508 VanDerWaalsContact C-N 3.31Å; E506-F508 PolarHBondContact O-N 2.99Å; F508-P510 VanDerWaalsContact C-CD 3.44Å; F508-M511 PolarHBondContact O-N 2.87Å
509	W	50.7	Low	51.5	Low	132 Å²	132	90.5 Å²	90.5	50%	0.5	44%	0.443	S	S	.	.	H	α-helix	trans	-62.4	-34.9	179.5	-162.2	-105.2	0	0	0	114.9	E506 M511 N512	E506-W509 WeakPolarHBondContact O-CB 3.08Å; E506-W509 PolarHBondContact O-N 2.7Å; W509-M511 VanDerWaalsContact C-N 3.29Å; W509-M511 PolarHBondContact O-N 2.71Å; W509-N512 PolarHBondContact O-N 2.74Å
510	P	40.3	Very low	49.2	Very low	100 Å²	100	95 Å²	95	65%	0.649	47%	0.473	S	S	*	.	H	α-helix	trans	-69.7	-20.6	179.3	-16.6	30.7	0	0	0	114.1	E506 Q507 F508	E506-P510 WeakPolarHBondContact O-CD 3.39Å; Q507-P510 VanDerWaalsContact O-CD 3.23Å; Q507-P510 WeakPolarHBondContact O-CD 3.41Å; F508-P510 VanDerWaalsContact C-CD 3.44Å
511	M	31.2	Very low	46.9	Very low	174 Å²	174	100.9 Å²	100.9	86%	0.857	50%	0.495	S	S	*	.	H	α-helix	trans	-85.2	-21.7	176.4	-100.2	-161.8	171.5	0	0	113.6	F508 W509	F508-M511 PolarHBondContact O-N 2.87Å; W509-M511 VanDerWaalsContact C-N 3.29Å; W509-M511 PolarHBondContact O-N 2.71Å
512	N	34.4	Very low	44.3	Very low	103 Å²	103	111.8 Å²	111.8	55%	0.551	54%	0.536	S	S	*	.	H	α-helix	trans	-99.4	2.5	-176.7	-80.1	-14.7	0	0	0	114.6	W509 K514	W509-N512 PolarHBondContact O-N 2.74Å; N512-K514 PolarHBondContact O-N 3.03Å; N512-K514 VanDerWaalsContact O-N 3.14Å
513	K	31.8	Very low	41.6	Very low	116 Å²	116	118.8 Å²	118.8	50%	0.504	57%	0.573	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.8	8.7	178.3	-105	-169.9	179.6	-174.1	0	115.8	E515	K513-E515 PolarHBondContact O-N 3.27Å
514	K	29.3	Very low	39.2	Very low	206 Å²	206	120.2 Å²	120.2	90%	0.896	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.4	-5.5	170.6	-93.6	-175.2	176.2	180	0	114.1	N512	N512-K514 PolarHBondContact O-N 3.03Å; N512-K514 VanDerWaalsContact O-N 3.14Å
515	E	28.8	Very low	36.7	Very low	181 Å²	181	125.4 Å²	125.4	85%	0.846	62%	0.624	S	S	*	*	S	Bend	trans	-136.7	10.6	-173	-103.8	167.8	179.9	0	0	116.7	K513	K513-E515 PolarHBondContact O-N 3.27Å
516	Q	27.6	Very low	34.1	Very low	114 Å²	114	132.2 Å²	132.2	53%	0.533	67%	0.665	S	S	.	*			trans	-134.7	110.4	175.4	-71.2	-174.9	-7.8	0	0	113
517	L	26.2	Very low	31.7	Very low	114 Å²	114	138.5 Å²	138.5	60%	0.597	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-58.4	140.4	176.5	-78.3	154.1	0	0	0	113	E579	L517-E579 VanDerWaalsContact CD1-OE1 3.22Å; L517-E579 WeakPolarHBondContact CD1-OE1 3.06Å; L517-E579 HydrophobicContact CD2-CG 4.3Å; L517-E579 WeakPolarHBondContact CD2-OE1 3.14Å
518	H	24.1	Very low	29.7	Very low	155 Å²	155	142.5 Å²	142.5	72%	0.718	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-60.7	130.3	175.8	-84.1	-86.7	0	0	0	112.8
519	P	26.9	Very low	27.9	Very low	114 Å²	114	150 Å²	150	74%	0.74	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-74.3	123.2	159.9	-11.4	27.7	0	0	0	109.9	E521	P519-E521 PolarHBondContact O-N 2.96Å
520	L	25.3	Very low	26.6	Very low	180 Å²	180	149.6 Å²	149.6	94%	0.942	75%	0.753	S	S	*	*			trans	-72.2	99.8	164.4	-87.7	145.7	0	0	0	108.3
521	E	25.1	Very low	25.9	Very low	173 Å²	173	153 Å²	153	81%	0.808	76%	0.764	S	S	*	*			trans	-82.1	117.4	166.3	-88.4	-172.6	165.7	0	0	110.9	P519	P519-E521 PolarHBondContact O-N 2.96Å
522	W	22	Very low	25.5	Very low	237 Å²	237	152.6 Å²	152.6	90%	0.898	76%	0.76	S	S	*	*			trans	-75.8	118.3	163.4	-173.4	-72.2	0	0	0	108.6
523	N	23.4	Very low	25.1	Very low	149 Å²	149	157.2 Å²	157.2	80%	0.797	78%	0.775	S	S	*	*			trans	-108.5	121.5	164.5	-93.2	-26.7	0	0	0	111.4
524	S	21.8	Very low	24.6	Very low	84 Å²	84	158 Å²	158	59%	0.587	79%	0.789	S	S	*	*			trans	-68.2	138.7	171.2	47.2	0	0	0	0	113.1
525	S	22.9	Very low	24.7	Very low	110 Å²	110	153.7 Å²	153.7	77%	0.769	78%	0.783	S	S	*	*			trans	39.5	118.5	144.6	65.4	0	0	0	0	120.3
526	T	24.5	Very low	24.4	Very low	153 Å²	153	154 Å²	154	94%	0.939	78%	0.784	S	S	*	*			trans	-131.8	133.7	142	-21	0	0	0	0	110.1
527	R	22.7	Very low	24.2	Very low	224 Å²	224	153.8 Å²	153.8	85%	0.845	80%	0.795	S	S	*	*			trans	-85.2	134.3	-172.7	-178.1	-170.4	178.7	167.9	0.6	110.4
528	N	21.8	Very low	24.2	Very low	134 Å²	134	155.9 Å²	155.9	72%	0.717	81%	0.806	S	S	*	*			trans	147.7	107	136.9	-84.1	-22.7	0	0	0	113.7
529	K	25.3	Very low	24.1	Very low	196 Å²	196	157.1 Å²	157.1	85%	0.852	81%	0.812	S	S	*	*				164.4	114.9	107.1	-97.5	174.9	-179.5	177.7	0	111
530	T	22.3	Very low	24	Very low	124 Å²	124	156.2 Å²	156.2	76%	0.761	82%	0.815	S	S	*	*			trans	-9.4	133.6	149.9	-13.5	0	0	0	0	117
531	I	26.4	Very low	24.1	Very low	172 Å²	172	154.8 Å²	154.8	88%	0.882	81%	0.806	S	S	*	*				-156.4	133.6	124.2	-88.8	144.4	0	0	0	108.3
532	Q	23.9	Very low	24.1	Very low	166 Å²	166	155.8 Å²	155.8	78%	0.776	81%	0.808	S	S	*	*			trans	-62.3	149	-177.8	-67	157.6	-43.6	0	0	113.5
533	K	25	Very low	24.2	Very low	200 Å²	200	149.6 Å²	149.6	87%	0.87	80%	0.801	S	S	*	*				-174.5	158.2	103.1	-97.1	176.4	-177.3	-177.2	0	113.1
534	T	22.1	Very low	24.2	Very low	131 Å²	131	151.2 Å²	151.2	80%	0.804	80%	0.801	S	S	*	*			trans	-58.6	163.9	-158	19.7	0	0	0	0	120.2
535	P	29.7	Very low	24.4	Very low	116 Å²	116	155.2 Å²	155.2	75%	0.753	81%	0.81	S	S	*	*			trans	-101.8	147.9	179.3	38.1	-28.1	0	0	0	113.2
536	E	24.2	Very low	24.9	Very low	188 Å²	188	158 Å²	158	88%	0.879	82%	0.816	S	S	*	*			trans	-139.5	120.3	165.3	-90.5	-177.4	170.1	0	0	113.6
537	S	23.4	Very low	24.8	Very low	110 Å²	110	155.2 Å²	155.2	77%	0.769	81%	0.809	S	S	*	*			trans	51.6	124.3	141	62.9	0	0	0	0	123.7
538	L	25.8	Very low	25.1	Very low	157 Å²	157	150.4 Å²	150.4	82%	0.822	80%	0.804	S	S	*	*			trans	-54.6	146.8	152.7	-84	97.4	0	0	0	113.7
539	E	22.5	Very low	25.2	Very low	181 Å²	181	149.6 Å²	149.6	85%	0.846	81%	0.806	S	S	*	*				153.4	124.9	112.9	-80.3	-161	158.1	0	0	112
540	A	24.2	Very low	25.2	Very low	96 Å²	96	149.9 Å²	149.9	79%	0.793	80%	0.802	S	S	*	*			trans	163.3	86.9	137.6	0	0	0	0	0	114.1
541	I	26.3	Very low	25.5	Very low	150 Å²	150	149.5 Å²	149.5	77%	0.769	80%	0.8	S	S	*	*				41.8	112.1	121.5	-56.8	-179.7	0	0	0	120.8
542	K	25	Very low	25.4	Very low	193 Å²	193	147.9 Å²	147.9	84%	0.839	79%	0.786	S	S	*	*			trans	63.3	113.9	137.9	-64.1	174.8	-176.8	177.2	0	121.5
543	S	24.3	Very low	25.5	Very low	107 Å²	107	147.2 Å²	147.2	75%	0.748	78%	0.783	S	S	*	*				153.3	138.7	93.1	58.1	0	0	0	0	113.2
544	K	25.1	Very low	25.7	Very low	183 Å²	183	145 Å²	145	80%	0.796	78%	0.775	S	S	*	*			trans	126.5	116.9	149.6	-71	-170.8	174.8	-174.1	0	116.5
545	E	25.6	Very low	26.4	Very low	169 Å²	169	146 Å²	146	79%	0.79	78%	0.776	S	S	*	*			trans	38.9	123.8	136.1	-69.9	170	154.7	0	0	120.8
546	D	32.9	Very low	26.5	Very low	167 Å²	167	149 Å²	149	89%	0.893	78%	0.777	S	S	*	*			trans	38.6	94.5	142.7	-65.7	-23	0	0	0	118.6
547	A	22.8	Very low	27	Very low	96 Å²	96	147.3 Å²	147.3	79%	0.793	78%	0.775	S	S	*	*			trans	-141.5	110	151.6	0	0	0	0	0	110.2
548	V	27.9	Very low	27.9	Very low	122 Å²	122	148.1 Å²	148.1	74%	0.739	77%	0.769	S	S	*	*			trans	-39.4	139.6	150.3	175.9	0	0	0	0	108.2	R550	V548-R550 PolarHBondContact O-N 2.82Å
549	P	24.4	Very low	28.8	Very low	117 Å²	117	150.1 Å²	150.1	76%	0.76	77%	0.773	S	S	*	*			trans	-64.6	88.3	172.5	2.5	7.1	0	0	0	108.9	V551	P549-V551 PolarHBondContact O-N 2.86Å
550	R	26.1	Very low	30.4	Very low	202 Å²	202	143 Å²	143	76%	0.762	74%	0.743	S	S	*	*			trans	-63.5	95.1	152.8	-72.4	-175.4	-179.8	-178.5	1.7	104.3	V548 F552	V548-R550 PolarHBondContact O-N 2.82Å; R550-F552 HydrophobicContact CB-CD2 3.87Å; R550-F552 HydrophobicContact CB-CE2 4.14Å; R550-F552 PolarHBondContact O-N 3.34Å
551	V	27.3	Very low	31.8	Very low	117 Å²	117	142.1 Å²	142.1	71%	0.709	73%	0.731	S	S	*	*			trans	-65.5	82.7	157.6	-179.6	0	0	0	0	105.5	P549 H553	P549-V551 PolarHBondContact O-N 2.86Å; V551-H553 PolarHBondContact O-N 2.77Å
552	F	24.9	Very low	33.1	Very low	138 Å²	138	141.2 Å²	141.2	61%	0.605	73%	0.728	S	S	*	*			trans	-61.1	97.3	153.8	-89.5	-84.7	0	0	0	105.7	R550 E554	R550-F552 HydrophobicContact CB-CD2 3.87Å; R550-F552 HydrophobicContact CB-CE2 4.14Å; R550-F552 PolarHBondContact O-N 3.34Å; F552-E554 HydrophobicContact CD1-CG 3.94Å; F552-E554 PolarHBondContact O-N 2.87Å
553	H	26.7	Very low	34.3	Very low	152 Å²	152	133.7 Å²	133.7	70%	0.704	71%	0.705	S	S	*	*			trans	-82.3	84.1	139.1	-88.3	-62.4	0	0	0	106.2	V551	V551-H553 PolarHBondContact O-N 2.77Å
554	E	27.7	Very low	35.3	Very low	152 Å²	152	139 Å²	139	71%	0.71	72%	0.715	S	S	*	*			trans	-53.3	134.4	148.7	-82.3	-179.6	143.7	0	0	108.1	F552 K556	F552-E554 HydrophobicContact CD1-CG 3.94Å; F552-E554 PolarHBondContact O-N 2.87Å; E554-K556 PolarHBondContact O-N 2.85Å; E554-K556 VanDerWaalsContact O-N 3.09Å
555	N	37.2	Very low	36.7	Very low	154 Å²	154	134.2 Å²	134.2	82%	0.824	72%	0.717	S	S	*	*			trans	-14.9	100.4	172.4	-68.4	-29	0	0	0	114.3
556	K	31.7	Very low	38	Very low	177 Å²	177	130 Å²	130	77%	0.77	70%	0.703	S	S	*	*			trans	-88.9	127.4	146.3	-81.3	-172.2	174.8	-177.7	0	107.1	E554 I558	E554-K556 PolarHBondContact O-N 2.85Å; E554-K556 VanDerWaalsContact O-N 3.09Å; K556-I558 PolarHBondContact O-N 3.02Å
557	D	35.2	Very low	39.4	Very low	154 Å²	154	127.4 Å²	127.4	82%	0.824	69%	0.693	S	S	*	*			trans	-37.1	117.4	-171.2	-62.8	-62.8	0	0	0	113.8	H559	D557-H559 PolarHBondContact O-N 3.27Å
558	I	42.7	Very low	41.6	Very low	126 Å²	126	123.6 Å²	123.6	65%	0.646	66%	0.66	S	S	*	*			trans	-64	106.3	165.8	-60.7	172.2	0	0	0	105.8	K556 C560	K556-I558 PolarHBondContact O-N 3.02Å; I558-C560 HydrophobicContact CG2-CB 3.94Å; I558-C560 PolarHBondContact O-N 3.11Å; I558-C560 PolarHBondContact O-SG 2.8Å
559	H	44.5	Very low	43.8	Very low	199 Å²	199	121.3 Å²	121.3	92%	0.921	64%	0.644	S	S	*	*			trans	-71.8	72.4	175.3	-129.2	-30.7	0	0	0	109	D557	D557-H559 PolarHBondContact O-N 3.27Å
560	C	55.6	Low	46.5	Very low	31 Å²	31	116.2 Å²	116.2	21%	0.209	61%	0.61	C	S	.	*			trans	-99.9	129.1	177.7	50.8	0	0	0	0	110.5	I558 C611	I558-C560 HydrophobicContact CG2-CB 3.94Å; I558-C560 PolarHBondContact O-N 3.11Å; I558-C560 PolarHBondContact O-SG 2.8Å; C560-C611 HydrophobicContact CB-CB 3.99Å; C560-C611 WeakPolarHBondContact CB-SG 3.29Å; C560-C611 WeakPolarHBondContact SG-CB 3.42Å; C560-C611 CovalentContact SG-SG 2.02Å; C560-C611 PolarHBondContact SG-SG 2.86Å
561	S	54.9	Low	49.2	Very low	78 Å²	78	112.8 Å²	112.8	55%	0.545	60%	0.601	S	S	.	*			trans	-86.8	124.1	-177.9	51.6	0	0	0	0	111	G563 S609	S561-G563 PolarHBondContact O-N 2.91Å; S561-S609 PolarHBondContact N-O 3.45Å; S561-S609 VanDerWaalsContact N-O 3.14Å; S561-S609 PolarHBondContact OG-O 3.15Å
562	N	53.7	Low	52	Low	131 Å²	131	108.3 Å²	108.3	70%	0.701	57%	0.573	S	S	*	*			trans	-82.7	46	176.2	-78.8	-21.9	0	0	0	112.6
563	G	49.1	Very low	55	Low	35 Å²	35	105.2 Å²	105.2	36%	0.361	56%	0.559	S	S	.	*			trans	-76.9	120.1	177.1	0	0	0	0	0	111.9	S561 G565	S561-G563 PolarHBondContact O-N 2.91Å; G563-G565 PolarHBondContact O-N 2.82Å
564	K	45.7	Very low	58.1	Low	220 Å²	220	99.1 Å²	99.1	96%	0.957	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	119.4	169.4	-78.4	-176.8	175.8	-179.2	0	109.2
565	G	53.9	Low	60.9	Low	81 Å²	81	98.5 Å²	98.5	84%	0.835	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	113	-4.4	168.8	0	0	0	0	0	118.1	G563	G563-G565 PolarHBondContact O-N 2.82Å
566	T	52.5	Low	63.4	Low	82 Å²	82	93.9 Å²	93.9	50%	0.503	51%	0.508	S	S	.	.			trans	-91.8	148.1	179.1	-38.6	0	0	0	0	111.7	K610	T566-K610 WeakPolarHBondContact O-CE 3.27Å; T566-K610 PolarHBondContact O-NZ 2.87Å
567	V	62.8	Low	66	Low	112 Å²	112	96.3 Å²	96.3	68%	0.679	51%	0.512	S	S	*	.			trans	-72.7	150.2	175.8	-178.2	0	0	0	0	110.8	N569	V567-N569 PolarHBondContact O-N 2.73Å
568	C	69.3	Low	68.6	Low	15 Å²	15	89.7 Å²	89.7	10%	0.101	48%	0.477	C	S	.	.			trans	-60.4	99.9	171.7	-76.7	0	0	0	0	111	C613 V641 D643	C568-C613 WeakPolarHBondContact CA-SG 3.26Å; C568-C613 HydrophobicContact CB-CB 3.91Å; C568-C613 WeakPolarHBondContact CB-SG 3.22Å; C568-C613 WeakPolarHBondContact SG-CB 3.34Å; C568-C613 CovalentContact SG-SG 2.01Å; C568-C613 PolarHBondContact SG-SG 2.8Å; C568-V641 HydrophobicContact CB-CG1 4.18Å; C568-D643 WeakPolarHBondContact SG-CB 3.37Å; C568-D643 PolarHBondContact SG-OD2 2.85Å
569	N	73.1	Confident	70.7	Confident	74 Å²	74	89 Å²	89	40%	0.396	47%	0.471	S	S	.	.			trans	-90.8	138.8	172.4	-68.5	-23	0	0	0	108.9	V567 S609	V567-N569 PolarHBondContact O-N 2.73Å; N569-S609 PolarHBondContact N-OG 2.82Å; N569-S609 VanDerWaalsContact N-OG 3.16Å; N569-S609 PolarHBondContact O-N 2.75Å; N569-S609 PolarHBondContact O-OG 2.78Å
570	I	82.1	Confident	72.6	Confident	10 Å²	10	80.6 Å²	80.6	5%	0.051	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	157.4	176	72.1	167.4	0	0	0	110.8	I572 F584 A606 E607 T608 V615 V641 Y655	I570-I572 HydrophobicContact CD1-CD1 4.44Å; I570-I572 HydrophobicContact CD1-CG1 4.05Å; I570-F584 HydrophobicContact CD1-CZ 4.35Å; I570-F584 HydrophobicContact CG1-CE2 4.42Å; I570-F584 HydrophobicContact CG1-CZ 3.76Å; I570-F584 WeakPolarHBondContact O-CE1 3.21Å; I570-F584 VanDerWaalsContact O-CZ 3.28Å; I570-F584 WeakPolarHBondContact O-CZ 3.36Å; I570-A606 HydrophobicContact CB-CB 4.19Å; I570-A606 HydrophobicContact CD1-CB 4.2Å; I570-E607 CarbonylContact C-O 3.51Å; I570-E607 WeakPolarHBondContact CA-O 3.37Å; I570-T608 HydrophobicContact CG2-CG2 4.25Å; I570-V615 HydrophobicContact CG2-CG2 4.37Å; I570-V641 HydrophobicContact CD1-CG2 3.97Å; I570-V641 HydrophobicContact CG2-CB 4.42Å; I570-V641 HydrophobicContact CG2-CG1 3.85Å; I570-V641 HydrophobicContact CG2-CG2 3.68Å; I570-Y655 HydrophobicContact CD1-CD1 4.32Å; I570-Y655 HydrophobicContact CD1-CD2 3.51Å; I570-Y655 HydrophobicContact CD1-CE1 4.14Å; I570-Y655 HydrophobicContact CD1-CE2 3.32Å; I570-Y655 HydrophobicContact CD1-CG 4.01Å; I570-Y655 HydrophobicContact CG1-CE2 3.98Å
571	K	83.1	Confident	73.9	Confident	131 Å²	131	83.9 Å²	83.9	57%	0.57	45%	0.448	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.2	115	167.1	-177	-176.5	178	-170.8	0	108.4	A606 E607	K571-A606 CarbonylContact O-C 2.99Å; K571-A606 WeakPolarHBondContact O-CA 3.11Å; K571-A606 WeakPolarHBondContact O-CB 3.2Å; K571-E607 HydrophobicContact CB-CB 4.45Å; K571-E607 PolarHBondContact N-O 2.79Å; K571-E607 PolarHBondContact O-N 2.7Å
572	I	86.1	Confident	75.3	Confident	22 Å²	22	83.5 Å²	83.5	11%	0.113	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	134.8	179.3	-60.7	177.5	0	0	0	109.2	I570 T574 F584 Y591 I604 G605 A606 M639	I570-I572 HydrophobicContact CD1-CD1 4.44Å; I570-I572 HydrophobicContact CD1-CG1 4.05Å; I572-T574 HydrophobicContact CG2-CG2 4.25Å; I572-F584 HydrophobicContact CB-CD2 4.19Å; I572-F584 HydrophobicContact CB-CE2 4.26Å; I572-F584 HydrophobicContact CD1-CD2 3.64Å; I572-F584 HydrophobicContact CD1-CE2 3.38Å; I572-F584 HydrophobicContact CD1-CZ 4.41Å; I572-F584 HydrophobicContact CG1-CD2 3.89Å; I572-F584 HydrophobicContact CG1-CE2 3.51Å; I572-F584 HydrophobicContact CG1-CZ 4.12Å; I572-Y591 HydrophobicContact CD1-CE2 4.46Å; I572-I604 HydrophobicContact CG2-CG1 4.3Å; I572-G605 WeakPolarHBondContact CA-O 3.47Å; I572-A606 HydrophobicContact CG1-CB 4.33Å; I572-M639 HydrophobicContact CD1-SD 3.83Å; I572-M639 HydrophobicContact CG1-CE 4.15Å; I572-M639 HydrophobicContact CG1-SD 4.03Å; I572-M639 HydrophobicContact CG2-SD 4.25Å
573	F	87.6	Confident	76.9	Confident	73 Å²	73	85.4 Å²	85.4	32%	0.32	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	144.3	170.3	65.7	-94.6	0	0	0	110.4	G605 E607 F625	F573-G605 WeakPolarHBondContact CD1-O 3.44Å; F573-G605 VanDerWaalsContact CE1-C 3.4Å; F573-G605 PolarHBondContact N-O 3.1Å; F573-G605 PolarHBondContact O-N 2.8Å; F573-E607 HydrophobicContact CD1-CG 4.09Å; F573-E607 HydrophobicContact CE1-CG 4.22Å; F573-F625 HydrophobicContact CE2-CB 4.35Å; F573-F625 HydrophobicContact CZ-CB 3.95Å
574	T	90.8	Very high	78.6	Confident	25 Å²	25	86.3 Å²	86.3	15%	0.153	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	144.8	-177.7	51.3	0	0	0	0	111	I572 P576 L578 R603 I604	I572-T574 HydrophobicContact CG2-CG2 4.25Å; T574-P576 CarbonylContact C-O 3.6Å; T574-L578 HydrophobicContact CG2-CB 4.27Å; T574-L578 HydrophobicContact CG2-CD1 3.98Å; T574-L578 HydrophobicContact CG2-CG 4.13Å; T574-L578 PolarHBondContact OG1-N 2.85Å; T574-R603 CarbonylContact C-O 3.48Å; T574-R603 WeakPolarHBondContact CA-O 3.31Å; T574-I604 HydrophobicContact CG2-CB 4.47Å; T574-I604 HydrophobicContact CG2-CD1 4.39Å; T574-I604 HydrophobicContact CG2-CG1 4.02Å
575	H	87	Confident	80.3	Confident	139 Å²	139	79.2 Å²	79.2	64%	0.644	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.5	119	171.9	-172.4	82.3	0	0	0	110.6	R603	H575-R603 HydrophobicContact CB-CB 4.08Å; H575-R603 PolarHBondContact N-O 2.99Å; H575-R603 PolarHBondContact O-N 3.38Å
576	P	89.6	Confident	81.5	Confident	56 Å²	56	77.7 Å²	77.7	36%	0.364	39%	0.39	S	S	.	.	S	Bend	cis	-59.9	159.4	-4.3	28.8	-35.9	0	0	0	111.8	T574 L578 V599	T574-P576 CarbonylContact C-O 3.6Å; P576-L578 PolarHBondContact O-N 3.09Å; P576-L578 VanDerWaalsContact O-N 3.15Å; P576-V599 HydrophobicContact CG-CG1 4.08Å
577	R	87.1	Confident	82.9	Confident	228 Å²	228	82.6 Å²	82.6	86%	0.86	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-63.7	118.6	-177	-175.4	176.5	-179.7	174.3	-1.7	109
578	L	89.3	Confident	83.9	Confident	16 Å²	16	79.6 Å²	79.6	8%	0.084	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-92.1	137	176.7	-59.5	-176.5	0	0	0	110.8	T574 P576 L580 V595 V602 L657 I659	T574-L578 HydrophobicContact CG2-CB 4.27Å; T574-L578 HydrophobicContact CG2-CD1 3.98Å; T574-L578 HydrophobicContact CG2-CG 4.13Å; T574-L578 PolarHBondContact OG1-N 2.85Å; P576-L578 PolarHBondContact O-N 3.09Å; P576-L578 VanDerWaalsContact O-N 3.15Å; L578-L580 HydrophobicContact CB-CD2 4.3Å; L578-L580 PolarHBondContact O-N 2.9Å; L578-V595 HydrophobicContact CD2-CG1 3.47Å; L578-V595 VanDerWaalsContact CD2-CG1 3.47Å; L578-V602 HydrophobicContact CD1-CG2 3.8Å; L578-V602 HydrophobicContact CD2-CG2 4.46Å; L578-V602 HydrophobicContact CG-CG2 4.1Å; L578-L657 HydrophobicContact CD1-CD2 4.35Å; L578-I659 HydrophobicContact CD1-CD1 3.76Å; L578-I659 HydrophobicContact CD1-CG1 4.41Å
579	E	86.6	Confident	84.8	Confident	112 Å²	112	84.1 Å²	84.1	52%	0.523	40%	0.404	S	S	.	.			trans	-86.2	101.5	171.8	-71.1	169.8	-150.2	0	0	109.1	L517 C593	L517-E579 VanDerWaalsContact CD1-OE1 3.22Å; L517-E579 WeakPolarHBondContact CD1-OE1 3.06Å; L517-E579 HydrophobicContact CD2-CG 4.3Å; L517-E579 WeakPolarHBondContact CD2-OE1 3.14Å; E579-C593 WeakPolarHBondContact O-CB 3.43Å
580	L	84.6	Confident	85.6	Confident	21 Å²	21	85.2 Å²	85.2	11%	0.11	41%	0.41	C	S	.	.			trans	-78.3	131.3	179.4	-57.5	-173.3	0	0	0	109.8	L578 P582 E583 F584 Y591 C593 L657	L578-L580 HydrophobicContact CB-CD2 4.3Å; L578-L580 PolarHBondContact O-N 2.9Å; L580-P582 CarbonylContact C-O 3.38Å; L580-P582 CarbonylContact O-C 3.53Å; L580-E583 WeakPolarHBondContact O-CA 3.08Å; L580-E583 PolarHBondContact O-N 2.88Å; L580-F584 HydrophobicContact CD1-CB 4.23Å; L580-F584 HydrophobicContact CD1-CD2 4.31Å; L580-Y591 HydrophobicContact CB-CD1 3.96Å; L580-Y591 HydrophobicContact CD1-CD1 4.27Å; L580-Y591 HydrophobicContact CD1-CG 4.34Å; L580-C593 HydrophobicContact CD2-CB 4.46Å; L580-L657 HydrophobicContact CD2-CD1 3.36Å; L580-L657 HydrophobicContact CD2-CD2 4.34Å
581	N	82.6	Confident	85.9	Confident	100 Å²	100	85 Å²	85	54%	0.535	41%	0.409	S	S	.	.	B	Isolated β-bridge	trans	-113.5	116.1	173.4	-72.6	-40.8	0	0	0	109.4	Y592	N581-Y592 WeakPolarHBondContact CB-O 3.3Å; N581-Y592 PolarHBondContact N-O 3.3Å; N581-Y592 PolarHBondContact O-N 2.75Å
582	P	85.1	Confident	86.3	Confident	70 Å²	70	82.3 Å²	82.3	46%	0.455	40%	0.396	S	S	.	.	S	Bend	cis	-68.2	166.7	-6.1	32.4	-36.7	0	0	0	112.5	L580 F584 V588 Y591	L580-P582 CarbonylContact C-O 3.38Å; L580-P582 CarbonylContact O-C 3.53Å; P582-F584 PolarHBondContact O-N 2.69Å; P582-V588 HydrophobicContact CG-CG1 3.93Å; P582-V588 HydrophobicContact CG-CG2 4.4Å; P582-Y591 HydrophobicContact CG-CE1 4.41Å; P582-Y591 VanDerWaalsContact O-CD1 3.27Å; P582-Y591 WeakPolarHBondContact O-CD1 3.49Å; P582-Y591 WeakPolarHBondContact O-CE1 3.36Å
583	E	86.4	Confident	86.5	Confident	172 Å²	172	81.3 Å²	81.3	80%	0.804	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-50.9	141.8	173.3	-172.7	179.8	-173.5	0	0	110.3	L580 N585	L580-E583 WeakPolarHBondContact O-CA 3.08Å; L580-E583 PolarHBondContact O-N 2.88Å; E583-N585 PolarHBondContact O-N 3.17Å; E583-N585 VanDerWaalsContact O-N 3.09Å
584	F	84.6	Confident	86.7	Confident	54 Å²	54	83.2 Å²	83.2	24%	0.237	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-54.6	118.6	-171.4	180	-99.5	0	0	0	112.2	I570 I572 L580 P582 P586 Y591	I570-F584 HydrophobicContact CD1-CZ 4.35Å; I570-F584 HydrophobicContact CG1-CE2 4.42Å; I570-F584 HydrophobicContact CG1-CZ 3.76Å; I570-F584 WeakPolarHBondContact O-CE1 3.21Å; I570-F584 VanDerWaalsContact O-CZ 3.28Å; I570-F584 WeakPolarHBondContact O-CZ 3.36Å; I572-F584 HydrophobicContact CB-CD2 4.19Å; I572-F584 HydrophobicContact CB-CE2 4.26Å; I572-F584 HydrophobicContact CD1-CD2 3.64Å; I572-F584 HydrophobicContact CD1-CE2 3.38Å; I572-F584 HydrophobicContact CD1-CZ 4.41Å; I572-F584 HydrophobicContact CG1-CD2 3.89Å; I572-F584 HydrophobicContact CG1-CE2 3.51Å; I572-F584 HydrophobicContact CG1-CZ 4.12Å; L580-F584 HydrophobicContact CD1-CB 4.23Å; L580-F584 HydrophobicContact CD1-CD2 4.31Å; P582-F584 PolarHBondContact O-N 2.69Å; F584-P586 HydrophobicContact CZ-CB 4.41Å; F584-Y591 HydrophobicContact CD2-CE1 4.15Å; F584-Y591 AromaticContact CD2-CE2 3.94Å; F584-Y591 HydrophobicContact CD2-CE2 3.94Å; F584-Y591 AromaticContact CD2-CZ 3.55Å; F584-Y591 VanDerWaalsContact CD2-OH 3.29Å; F584-Y591 WeakPolarHBondContact CD2-OH 3.48Å; F584-Y591 HydrophobicContact CE2-CE2 4.07Å; F584-Y591 AromaticContact CE2-CZ 3.96Å; F584-Y591 WeakPolarHBondContact CE2-OH 3.33Å
585	N	81.5	Confident	86.7	Confident	70 Å²	70	82.3 Å²	82.3	37%	0.374	40%	0.395	S	S	.	.			trans	-134.4	121.5	174.8	-176.1	-39.6	0	0	0	109.1	E583 K587 V588 Y591	E583-N585 PolarHBondContact O-N 3.17Å; E583-N585 VanDerWaalsContact O-N 3.09Å; N585-K587 PolarHBondContact O-N 3.21Å; N585-K587 WeakPolarHBondContact OD1-CB 3.36Å; N585-K587 PolarHBondContact OD1-N 2.87Å; N585-V588 HydrophobicContact CB-CG2 4.12Å; N585-V588 PolarHBondContact O-N 3.21Å; N585-Y591 VanDerWaalsContact C-OH 3.25Å; N585-Y591 PolarHBondContact N-OH 2.98Å; N585-Y591 PolarHBondContact O-OH 3.25Å
586	P	79.9	Confident	86.9	Confident	49 Å²	49	79.3 Å²	79.3	32%	0.318	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-14.3	-175.2	24.9	-35.2	0	0	0	114.5	F584 Y655	F584-P586 HydrophobicContact CZ-CB 4.41Å; P586-Y655 PolarHBondContact O-OH 3.48Å
587	K	80.9	Confident	86.9	Confident	186 Å²	186	77.2 Å²	77.2	81%	0.809	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-22.6	173.3	-60.6	-179.3	179.6	179.1	0	113.6	N585	N585-K587 PolarHBondContact O-N 3.21Å; N585-K587 WeakPolarHBondContact OD1-CB 3.36Å; N585-K587 PolarHBondContact OD1-N 2.87Å
588	V	84.8	Confident	87.1	Confident	48 Å²	48	70.8 Å²	70.8	29%	0.291	36%	0.355	S	S	.	.			trans	-89.9	127.7	179.5	179.4	0	0	0	0	109.1	P582 N585 D590 Y591 Y655	P582-V588 HydrophobicContact CG-CG1 3.93Å; P582-V588 HydrophobicContact CG-CG2 4.4Å; N585-V588 HydrophobicContact CB-CG2 4.12Å; N585-V588 PolarHBondContact O-N 3.21Å; V588-D590 WeakPolarHBondContact CG1-O 3.39Å; V588-Y591 HydrophobicContact CB-CE1 4.33Å; V588-Y591 HydrophobicContact CG1-CE1 4.15Å; V588-Y591 VanDerWaalsContact O-CE2 3.26Å; V588-Y591 WeakPolarHBondContact O-CE2 3.17Å; V588-Y591 PolarHBondContact O-OH 3.2Å; V588-Y655 VanDerWaalsContact O-CD1 3.32Å; V588-Y655 WeakPolarHBondContact O-CD1 3.36Å; V588-Y655 WeakPolarHBondContact O-CE1 3.37Å
589	K	87.6	Confident	87.2	Confident	110 Å²	110	71.5 Å²	71.5	48%	0.478	36%	0.361	S	S	.	.			trans	-99.6	-15	-176.5	-63	-174.9	-176.7	-176.9	0	113.7	Y655 K656	K589-Y655 CarbonylContact O-C 3.05Å; K589-Y655 VanDerWaalsContact O-CA 3.31Å; K589-Y655 WeakPolarHBondContact O-CA 3.35Å; K589-K656 PolarHBondContact O-N 2.63Å
590	D	89.9	Confident	87.5	Confident	97 Å²	97	67.4 Å²	67.4	52%	0.519	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	124.9	-176.3	-63.1	-71.4	0	0	0	110.1	V588 K656	V588-D590 WeakPolarHBondContact CG1-O 3.39Å; D590-K656 WeakPolarHBondContact CA-O 3.33Å; D590-K656 WeakPolarHBondContact OD1-CB 3.45Å; D590-K656 WeakPolarHBondContact OD1-CD 3.34Å
591	Y	88.8	Confident	87.9	Confident	5 Å²	5	68.2 Å²	68.2	2%	0.02	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	147.7	-179.1	-66.9	-78.6	0	0	0	111	I572 L580 P582 F584 N585 V588 Y655 K656 S658	I572-Y591 HydrophobicContact CD1-CE2 4.46Å; L580-Y591 HydrophobicContact CB-CD1 3.96Å; L580-Y591 HydrophobicContact CD1-CD1 4.27Å; L580-Y591 HydrophobicContact CD1-CG 4.34Å; P582-Y591 HydrophobicContact CG-CE1 4.41Å; P582-Y591 VanDerWaalsContact O-CD1 3.27Å; P582-Y591 WeakPolarHBondContact O-CD1 3.49Å; P582-Y591 WeakPolarHBondContact O-CE1 3.36Å; F584-Y591 HydrophobicContact CD2-CE1 4.15Å; F584-Y591 AromaticContact CD2-CE2 3.94Å; F584-Y591 HydrophobicContact CD2-CE2 3.94Å; F584-Y591 AromaticContact CD2-CZ 3.55Å; F584-Y591 VanDerWaalsContact CD2-OH 3.29Å; F584-Y591 WeakPolarHBondContact CD2-OH 3.48Å; F584-Y591 HydrophobicContact CE2-CE2 4.07Å; F584-Y591 AromaticContact CE2-CZ 3.96Å; F584-Y591 WeakPolarHBondContact CE2-OH 3.33Å; N585-Y591 VanDerWaalsContact C-OH 3.25Å; N585-Y591 PolarHBondContact N-OH 2.98Å; N585-Y591 PolarHBondContact O-OH 3.25Å; V588-Y591 HydrophobicContact CB-CE1 4.33Å; V588-Y591 HydrophobicContact CG1-CE1 4.15Å; V588-Y591 VanDerWaalsContact O-CE2 3.26Å; V588-Y591 WeakPolarHBondContact O-CE2 3.17Å; V588-Y591 PolarHBondContact O-OH 3.2Å; Y591-Y655 HydrophobicContact CE2-CD1 4.07Å; Y591-K656 PolarHBondContact N-O 2.72Å; Y591-S658 PolarHBondContact O-N 2.84Å
592	Y	91.1	Very high	88.3	Confident	76 Å²	76	63.5 Å²	63.5	30%	0.298	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	143	176.2	-179.5	-106.6	0	0	0	110.9	N581 E594 M634 S658 Y660	N581-Y592 WeakPolarHBondContact CB-O 3.3Å; N581-Y592 PolarHBondContact N-O 3.3Å; N581-Y592 PolarHBondContact O-N 2.75Å; Y592-E594 HydrophobicContact CE1-CG 3.55Å; Y592-E594 VanDerWaalsContact CE1-OE1 3.31Å; Y592-E594 WeakPolarHBondContact CE1-OE1 3.34Å; Y592-E594 WeakPolarHBondContact OH-CG 3.31Å; Y592-E594 PolarHBondContact OH-OE1 3.48Å; Y592-M634 HydrophobicContact CE2-CE 3.89Å; Y592-M634 HydrophobicContact CE2-SD 4.44Å; Y592-S658 CarbonylContact C-O 3.53Å; Y592-S658 VanDerWaalsContact CA-O 3.29Å; Y592-S658 WeakPolarHBondContact CA-O 3.37Å; Y592-S658 WeakPolarHBondContact CD2-O 3.4Å; Y592-Y660 WeakPolarHBondContact OH-CB 3.41Å
593	C	91.8	Very high	88.7	Confident	1 Å²	1	65.1 Å²	65.1	1%	0.007	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	159.4	166.8	65.3	0	0	0	0	111.4	E579 L580 S658 I659 Y660	E579-C593 WeakPolarHBondContact O-CB 3.43Å; L580-C593 HydrophobicContact CD2-CB 4.46Å; C593-S658 PolarHBondContact N-O 3.23Å; C593-I659 CarbonylContact O-C 3.54Å; C593-I659 WeakPolarHBondContact O-CA 3.43Å; C593-Y660 PolarHBondContact O-N 3.45Å
594	E	91.3	Very high	88.9	Confident	112 Å²	112	57 Å²	57	52%	0.523	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	142	176.6	-54.7	-167.6	171.8	0	0	109.7	Y592 Y660	Y592-E594 HydrophobicContact CE1-CG 3.55Å; Y592-E594 VanDerWaalsContact CE1-OE1 3.31Å; Y592-E594 WeakPolarHBondContact CE1-OE1 3.34Å; Y592-E594 WeakPolarHBondContact OH-CG 3.31Å; Y592-E594 PolarHBondContact OH-OE1 3.48Å; E594-Y660 CarbonylContact C-O 3.45Å; E594-Y660 VanDerWaalsContact CA-O 3.29Å; E594-Y660 WeakPolarHBondContact CA-O 3.5Å
595	V	90.8	Very high	89.1	Confident	6 Å²	6	54.4 Å²	54.4	4%	0.036	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	143.9	177.9	-60.3	0	0	0	0	111.4	L578 V599 L630 I659 Y660 R661 E662	L578-V595 HydrophobicContact CD2-CG1 3.47Å; L578-V595 VanDerWaalsContact CD2-CG1 3.47Å; V595-V599 HydrophobicContact CB-CB 4.12Å; V595-V599 HydrophobicContact CB-CG1 4.32Å; V595-V599 HydrophobicContact CB-CG2 4.37Å; V595-V599 HydrophobicContact CG2-CB 4.23Å; V595-V599 HydrophobicContact CG2-CG1 4.44Å; V595-L630 HydrophobicContact CG2-CD1 3.99Å; V595-I659 HydrophobicContact CG1-CG2 3.95Å; V595-I659 HydrophobicContact CG2-CG2 3.96Å; V595-Y660 PolarHBondContact N-O 3.08Å; V595-R661 HydrophobicContact CG2-CB 3.83Å; V595-R661 HydrophobicContact CG2-CG 4.05Å; V595-E662 PolarHBondContact O-N 3.25Å
596	P	91.1	Very high	89.3	Confident	77 Å²	77	51.6 Å²	51.6	50%	0.5	26%	0.257	S	S	.	.			trans	-59.7	158.2	177.7	-24.8	33.4	0	0	0	113.6	D598 V599	P596-D598 PolarHBondContact O-N 3.23Å; P596-D598 VanDerWaalsContact O-N 3.12Å; P596-V599 HydrophobicContact CB-CG2 4.46Å; P596-V599 PolarHBondContact O-N 3.14Å
597	F	89.9	Confident	89.4	Confident	12 Å²	12	54.6 Å²	54.6	5%	0.053	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.9	-40.3	178.3	172.7	-101.3	0	0	0	113.9	V599 L632 R661 E662 R664 K938 E939	F597-V599 VanDerWaalsContact C-N 3.28Å; F597-V599 PolarHBondContact O-N 2.98Å; F597-L632 HydrophobicContact CD2-CD2 3.72Å; F597-L632 HydrophobicContact CE2-CD2 3.83Å; F597-R661 VanDerWaalsContact O-CZ 3.24Å; F597-R661 PolarHBondContact O-NE 3.49Å; F597-R661 PolarHBondContact O-NH2 3.48Å; F597-E662 WeakPolarHBondContact CA-O 3.31Å; F597-R664 HydrophobicContact CD1-CG 4.05Å; F597-R664 HydrophobicContact CD2-CG 3.8Å; F597-R664 HydrophobicContact CE1-CG 3.74Å; F597-R664 HydrophobicContact CE2-CG 3.47Å; F597-R664 VanDerWaalsContact CE2-CG 3.47Å; F597-R664 HydrophobicContact CG-CG 4.08Å; F597-R664 HydrophobicContact CZ-CG 3.44Å; F597-R664 VanDerWaalsContact CZ-CG 3.44Å; F597-K938 HydrophobicContact CE1-CB 4.05Å; F597-K938 HydrophobicContact CE1-CD 3.97Å; F597-K938 HydrophobicContact CE2-CB 4.5Å; F597-K938 HydrophobicContact CZ-CB 3.69Å; F597-K938 HydrophobicContact CZ-CD 4.46Å; F597-E939 HydrophobicContact CE2-CG 3.86Å; F597-E939 HydrophobicContact CZ-CG 3.83Å
598	D	90.3	Very high	89.3	Confident	92 Å²	92	47.2 Å²	47.2	49%	0.492	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-4.6	-175.5	-73.2	-63.5	0	0	0	114.6	P596 L600 K938	P596-D598 PolarHBondContact O-N 3.23Å; P596-D598 VanDerWaalsContact O-N 3.12Å; D598-L600 PolarHBondContact O-N 2.74Å; D598-K938 IonicContact OD1-NZ 3.59Å; D598-K938 PolarHBondContact OD1-NZ 2.01Å
599	V	91.8	Very high	88.7	Confident	32 Å²	32	46.7 Å²	46.7	19%	0.194	24%	0.236	C	C	.	.			trans	-83.6	94	175.6	-175.2	0	0	0	0	110	P576 V595 P596 F597 L630 R661	P576-V599 HydrophobicContact CG-CG1 4.08Å; V595-V599 HydrophobicContact CB-CB 4.12Å; V595-V599 HydrophobicContact CB-CG1 4.32Å; V595-V599 HydrophobicContact CB-CG2 4.37Å; V595-V599 HydrophobicContact CG2-CB 4.23Å; V595-V599 HydrophobicContact CG2-CG1 4.44Å; P596-V599 HydrophobicContact CB-CG2 4.46Å; P596-V599 PolarHBondContact O-N 3.14Å; F597-V599 VanDerWaalsContact C-N 3.28Å; F597-V599 PolarHBondContact O-N 2.98Å; V599-L630 HydrophobicContact CG1-CD1 4.18Å; V599-R661 WeakPolarHBondContact O-CD 3.41Å; V599-R661 PolarHBondContact O-NE 2.73Å
600	L	92.1	Very high	88	Confident	25 Å²	25	42.3 Å²	42.3	13%	0.131	22%	0.217	C	C	.	.			trans	-86.7	-26	-174.8	-49.3	-175	0	0	0	113.9	D598 L630 L892 K938 F940	D598-L600 PolarHBondContact O-N 2.74Å; L600-L630 PolarHBondContact O-N 3.37Å; L600-L892 HydrophobicContact CB-CD1 4.23Å; L600-L892 HydrophobicContact CB-CD2 3.77Å; L600-L892 HydrophobicContact CD1-CD2 3.73Å; L600-L892 HydrophobicContact CG-CD2 4.4Å; L600-K938 HydrophobicContact CD1-CG 4.02Å; L600-K938 HydrophobicContact CD2-CB 3.89Å; L600-K938 HydrophobicContact CD2-CD 4.4Å; L600-K938 HydrophobicContact CD2-CG 4.01Å; L600-F940 HydrophobicContact CB-CE1 4.37Å; L600-F940 HydrophobicContact CB-CZ 4.46Å; L600-F940 HydrophobicContact CD2-CE1 4.3Å
601	T	92.8	Very high	87	Confident	39 Å²	39	40.5 Å²	40.5	24%	0.239	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	151.5	-178.1	56.7	0	0	0	0	111.1	Y628 L892	T601-Y628 CarbonylContact C-O 3.39Å; T601-Y628 WeakPolarHBondContact CA-O 3.41Å; T601-L892 HydrophobicContact CG2-CB 3.95Å; T601-L892 HydrophobicContact CG2-CD1 4.04Å; T601-L892 HydrophobicContact CG2-CD2 4.18Å; T601-L892 HydrophobicContact CG2-CG 4.28Å
602	V	92.7	Very high	86.2	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	130.6	168.8	64.3	0	0	0	0	110	L578 Y628 L630 I637 I659	L578-V602 HydrophobicContact CD1-CG2 3.8Å; L578-V602 HydrophobicContact CD2-CG2 4.46Å; L578-V602 HydrophobicContact CG-CG2 4.1Å; V602-Y628 PolarHBondContact N-O 3.17Å; V602-Y628 PolarHBondContact O-N 2.74Å; V602-L630 HydrophobicContact CB-CD1 4.04Å; V602-L630 HydrophobicContact CG1-CD1 3.89Å; V602-L630 HydrophobicContact CG1-CD2 3.87Å; V602-L630 HydrophobicContact CG1-CG 4.01Å; V602-I637 HydrophobicContact CG1-CD1 4.33Å; V602-I659 HydrophobicContact CG1-CD1 3.93Å
603	R	92	Very high	85.5	Confident	105 Å²	105	41.7 Å²	41.7	40%	0.396	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	125.1	166.2	-167	175.1	178.6	-177.3	0	108.5	T574 H575 A626 N627	T574-R603 CarbonylContact C-O 3.48Å; T574-R603 WeakPolarHBondContact CA-O 3.31Å; H575-R603 HydrophobicContact CB-CB 4.08Å; H575-R603 PolarHBondContact N-O 2.99Å; H575-R603 PolarHBondContact O-N 3.38Å; R603-A626 WeakPolarHBondContact CA-O 3.29Å; R603-N627 VanDerWaalsContact CB-OD1 3.27Å; R603-N627 WeakPolarHBondContact CB-OD1 3.35Å; R603-N627 WeakPolarHBondContact CG-OD1 3.42Å
604	I	90.6	Very high	85.1	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	143.5	176.9	-168.6	169.3	0	0	0	110.5	I572 T574 L617 F625 A626 Y628 I637 M639 L657	I572-I604 HydrophobicContact CG2-CG1 4.3Å; T574-I604 HydrophobicContact CG2-CB 4.47Å; T574-I604 HydrophobicContact CG2-CD1 4.39Å; T574-I604 HydrophobicContact CG2-CG1 4.02Å; I604-L617 HydrophobicContact CG2-CD1 4.25Å; I604-L617 HydrophobicContact CG2-CD2 4.19Å; I604-F625 CarbonylContact O-C 3.55Å; I604-F625 WeakPolarHBondContact O-CA 3.14Å; I604-F625 WeakPolarHBondContact O-CB 3.42Å; I604-A626 PolarHBondContact N-O 3.03Å; I604-A626 PolarHBondContact O-N 3.01Å; I604-Y628 HydrophobicContact CG2-CD2 3.33Å; I604-Y628 HydrophobicContact CG2-CE2 3.41Å; I604-Y628 VanDerWaalsContact CG2-CE2 3.41Å; I604-I637 HydrophobicContact CD1-CD1 4.48Å; I604-I637 HydrophobicContact CD1-CG2 4.31Å; I604-I637 HydrophobicContact CG2-CD1 4.42Å; I604-I637 HydrophobicContact CG2-CG2 4.27Å; I604-M639 HydrophobicContact CD1-SD 3.89Å; I604-M639 HydrophobicContact CG1-SD 4.15Å; I604-L657 HydrophobicContact CD1-CD2 3.37Å
605	G	89.1	Confident	84.7	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163	179.5	169.1	0	0	0	0	0	110.7	I572 F573 S624	I572-G605 WeakPolarHBondContact CA-O 3.47Å; F573-G605 WeakPolarHBondContact CD1-O 3.44Å; F573-G605 VanDerWaalsContact CE1-C 3.4Å; F573-G605 PolarHBondContact N-O 3.1Å; F573-G605 PolarHBondContact O-N 2.8Å; G605-S624 WeakPolarHBondContact CA-O 3.41Å
606	A	85.9	Confident	84.5	Confident	12 Å²	12	42.4 Å²	42.4	10%	0.099	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	143.9	169.3	0	0	0	0	0	112.2	I570 K571 I572 V615 M639	I570-A606 HydrophobicContact CB-CB 4.19Å; I570-A606 HydrophobicContact CD1-CB 4.2Å; K571-A606 CarbonylContact O-C 2.99Å; K571-A606 WeakPolarHBondContact O-CA 3.11Å; K571-A606 WeakPolarHBondContact O-CB 3.2Å; I572-A606 HydrophobicContact CG1-CB 4.33Å; A606-V615 HydrophobicContact CB-CG1 4.24Å; A606-V615 HydrophobicContact CB-CG2 4.11Å; A606-M639 HydrophobicContact CB-CE 3.4Å
607	E	81.9	Confident	84.2	Confident	112 Å²	112	38.8 Å²	38.8	52%	0.523	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	144.1	168	-66.1	170.5	178.9	0	0	109.2	I570 K571 F573	I570-E607 CarbonylContact C-O 3.51Å; I570-E607 WeakPolarHBondContact CA-O 3.37Å; K571-E607 HydrophobicContact CB-CB 4.45Å; K571-E607 PolarHBondContact N-O 2.79Å; K571-E607 PolarHBondContact O-N 2.7Å; F573-E607 HydrophobicContact CD1-CG 4.09Å; F573-E607 HydrophobicContact CE1-CG 4.22Å
608	T	80.3	Confident	83.8	Confident	31 Å²	31	42.3 Å²	42.3	19%	0.19	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	146.3	-179.1	60.8	0	0	0	0	111.8	I570 K610 C613 V615	I570-T608 HydrophobicContact CG2-CG2 4.25Å; T608-K610 PolarHBondContact OG1-O 2.73Å; T608-K610 VanDerWaalsContact OG1-O 3.1Å; T608-C613 HydrophobicContact CG2-CB 4.02Å; T608-C613 PolarHBondContact OG1-O 2.8Å; T608-V615 HydrophobicContact CG2-CG2 3.42Å; T608-V615 VanDerWaalsContact CG2-CG2 3.42Å
609	S	71	Confident	83.4	Confident	36 Å²	36	44 Å²	44	25%	0.252	22%	0.219	S	C	.	.	S	Bend	trans	-75.1	-23.5	177.7	60.9	0	0	0	0	114.2	S561 N569	S561-S609 PolarHBondContact N-O 3.45Å; S561-S609 VanDerWaalsContact N-O 3.14Å; S561-S609 PolarHBondContact OG-O 3.15Å; N569-S609 PolarHBondContact N-OG 2.82Å; N569-S609 VanDerWaalsContact N-OG 3.16Å; N569-S609 PolarHBondContact O-N 2.75Å; N569-S609 PolarHBondContact O-OG 2.78Å
610	K	72.7	Confident	82.5	Confident	18 Å²	18	48.9 Å²	48.9	8%	0.078	23%	0.234	C	C	.	.	S	Bend	trans	-122.1	148.7	174.8	-50.1	179.2	179.2	168.9	0	112.1	T566 T608 Q612 C613 D643	T566-K610 WeakPolarHBondContact O-CE 3.27Å; T566-K610 PolarHBondContact O-NZ 2.87Å; T608-K610 PolarHBondContact OG1-O 2.73Å; T608-K610 VanDerWaalsContact OG1-O 3.1Å; K610-Q612 PolarHBondContact O-N 3.32Å; K610-C613 VanDerWaalsContact CB-SG 3.59Å; K610-C613 WeakPolarHBondContact O-CB 3.35Å; K610-C613 PolarHBondContact O-N 2.96Å; K610-D643 IonicContact NZ-OD2 3.31Å
611	C	68.9	Low	81.6	Confident	60 Å²	60	52.1 Å²	52.1	41%	0.405	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-23.3	176.7	-35	0	0	0	0	112.8	C560	C560-C611 HydrophobicContact CB-CB 3.99Å; C560-C611 WeakPolarHBondContact CB-SG 3.29Å; C560-C611 WeakPolarHBondContact SG-CB 3.42Å; C560-C611 CovalentContact SG-SG 2.02Å; C560-C611 PolarHBondContact SG-SG 2.86Å
612	Q	71.4	Confident	80.7	Confident	100 Å²	100	50.7 Å²	50.7	47%	0.467	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-14.2	179	-65.2	175.8	-6.7	0	0	113	K610 K644	K610-Q612 PolarHBondContact O-N 3.32Å; Q612-K644 PolarHBondContact O-N 2.96Å
613	C	77.7	Confident	80.2	Confident	5 Å²	5	54 Å²	54	3%	0.034	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	120.8	173.6	-52.2	0	0	0	0	108.9	C568 T608 K610 V642	C568-C613 WeakPolarHBondContact CA-SG 3.26Å; C568-C613 HydrophobicContact CB-CB 3.91Å; C568-C613 WeakPolarHBondContact CB-SG 3.22Å; C568-C613 WeakPolarHBondContact SG-CB 3.34Å; C568-C613 CovalentContact SG-SG 2.01Å; C568-C613 PolarHBondContact SG-SG 2.8Å; T608-C613 HydrophobicContact CG2-CB 4.02Å; T608-C613 PolarHBondContact OG1-O 2.8Å; K610-C613 VanDerWaalsContact CB-SG 3.59Å; K610-C613 WeakPolarHBondContact O-CB 3.35Å; K610-C613 PolarHBondContact O-N 2.96Å; C613-V642 WeakPolarHBondContact CA-O 2.93Å
614	K	82.1	Confident	79.7	Confident	99 Å²	99	51.7 Å²	51.7	43%	0.43	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	138.8	173.2	-63.2	-158.3	-179.7	-165.5	0	110.7	V641 V642	K614-V641 WeakPolarHBondContact O-CA 3.05Å; K614-V642 PolarHBondContact N-O 3.11Å; K614-V642 PolarHBondContact O-N 2.89Å
615	V	84.5	Confident	79.5	Confident	4 Å²	4	56.6 Å²	56.6	2%	0.024	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	131.2	172.9	179.6	0	0	0	0	108.1	I570 A606 T608 S624 M639 L640 V641	I570-V615 HydrophobicContact CG2-CG2 4.37Å; A606-V615 HydrophobicContact CB-CG1 4.24Å; A606-V615 HydrophobicContact CB-CG2 4.11Å; T608-V615 HydrophobicContact CG2-CG2 3.42Å; T608-V615 VanDerWaalsContact CG2-CG2 3.42Å; V615-S624 VanDerWaalsContact O-CA 3.27Å; V615-S624 WeakPolarHBondContact O-CA 3.31Å; V615-S624 WeakPolarHBondContact O-CB 3.33Å; V615-S624 PolarHBondContact O-OG 3.41Å; V615-M639 HydrophobicContact CG1-CE 4.03Å; V615-L640 CarbonylContact C-O 3.58Å; V615-L640 WeakPolarHBondContact CA-O 3.45Å; V615-V641 HydrophobicContact CG2-CG2 4.32Å
616	H	86.4	Confident	79.4	Confident	31 Å²	31	56.8 Å²	56.8	14%	0.144	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	131.9	175.8	-62	-77.3	0	0	0	109.2	E619 R620 G622 L640	H616-E619 VanDerWaalsContact CB-O 3.3Å; H616-E619 WeakPolarHBondContact CB-O 3.43Å; H616-R620 PolarHBondContact CE1-O 3.39Å; H616-R620 PolarHBondContact ND1-O 3.19Å; H616-G622 PolarHBondContact ND1-O 3.06Å; H616-L640 HydrophobicContact CB-CB 4.39Å; H616-L640 PolarHBondContact N-O 3.3Å; H616-L640 WeakPolarHBondContact O-CB 3Å; H616-L640 PolarHBondContact O-N 3.13Å
617	L	84.9	Confident	79.6	Confident	2 Å²	2	58.3 Å²	58.3	1%	0.01	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	137.9	178.2	-59.7	164.1	0	0	0	111	I604 E619 P623 F625 A626 Y628 M639	I604-L617 HydrophobicContact CG2-CD1 4.25Å; I604-L617 HydrophobicContact CG2-CD2 4.19Å; L617-E619 PolarHBondContact O-N 3.36Å; L617-P623 WeakPolarHBondContact CB-O 3.47Å; L617-P623 HydrophobicContact CD1-CG 4.48Å; L617-P623 VanDerWaalsContact CG-O 3.29Å; L617-P623 WeakPolarHBondContact CG-O 3.32Å; L617-P623 PolarHBondContact N-O 3.32Å; L617-F625 VanDerWaalsContact CD1-C 3.45Å; L617-A626 HydrophobicContact CD1-CB 3.82Å; L617-A626 VanDerWaalsContact CD1-N 3.35Å; L617-Y628 HydrophobicContact CB-CE2 4.37Å; L617-Y628 WeakPolarHBondContact CB-OH 3.41Å; L617-Y628 HydrophobicContact CD1-CE2 3.78Å; L617-Y628 HydrophobicContact CG-CE2 4.48Å; L617-M639 HydrophobicContact CD2-CB 4.2Å; L617-M639 HydrophobicContact CD2-CE 4.1Å; L617-M639 HydrophobicContact CD2-CG 3.62Å; L617-M639 HydrophobicContact CD2-SD 4.36Å
618	Q	80.9	Confident	80	Confident	85 Å²	85	54.4 Å²	54.4	40%	0.397	29%	0.29	S	S	.	.	S	Bend	trans	60.8	-48.6	-176.6	-64.6	-160.7	3.6	0	0	117.4	Y628 S638 L640	Q618-Y628 HydrophobicContact CG-CE1 4.31Å; Q618-S638 WeakPolarHBondContact CA-OG 3.49Å; Q618-S638 PolarHBondContact N-O 2.88Å; Q618-L640 VanDerWaalsContact C-CD1 3.43Å; Q618-L640 WeakPolarHBondContact O-CD1 3.32Å
619	E	82.1	Confident	80.6	Confident	127 Å²	127	53.3 Å²	53.3	59%	0.593	28%	0.283	S	S	*	.	S	Bend	trans	-141.8	160.3	-176.3	62.8	-174.9	178.9	0	0	111.1	H616 L617 A621 G622	H616-E619 VanDerWaalsContact CB-O 3.3Å; H616-E619 WeakPolarHBondContact CB-O 3.43Å; L617-E619 PolarHBondContact O-N 3.36Å; E619-A621 PolarHBondContact O-N 2.62Å; E619-A621 VanDerWaalsContact O-N 3.09Å; E619-G622 WeakPolarHBondContact O-CA 3.48Å; E619-G622 PolarHBondContact O-N 3.17Å
620	R	72.3	Confident	81.6	Confident	135 Å²	135	51.6 Å²	51.6	51%	0.509	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-20.4	-176.8	-69.3	-175.1	179.3	-167.1	0.9	114.4	H616 L640 D650 E652	H616-R620 PolarHBondContact CE1-O 3.39Å; H616-R620 PolarHBondContact ND1-O 3.19Å; R620-L640 HydrophobicContact CG-CD2 4.05Å; R620-D650 IonicContact NH1-OD2 3.96Å; R620-E652 IonicContact CZ-OE2 3.62Å; R620-E652 IonicContact NE-OE2 3.42Å; R620-E652 PolarHBondContact NE-OE2 3.13Å; R620-E652 IonicContact NH2-OE2 3.68Å; R620-E652 PolarHBondContact NH2-OE2 3.43Å
621	A	72.9	Confident	82.5	Confident	93 Å²	93	50.8 Å²	50.8	77%	0.769	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-1.2	174.4	0	0	0	0	0	113.2	E619	E619-A621 PolarHBondContact O-N 2.62Å; E619-A621 VanDerWaalsContact O-N 3.09Å
622	G	74.6	Confident	83.6	Confident	9 Å²	9	48.6 Å²	48.6	9%	0.093	25%	0.252	C	S	.	.	S	Bend	trans	-73.5	161.6	-176	0	0	0	0	0	113.6	H616 E619	H616-G622 PolarHBondContact ND1-O 3.06Å; E619-G622 WeakPolarHBondContact O-CA 3.48Å; E619-G622 PolarHBondContact O-N 3.17Å
623	P	83.2	Confident	84.4	Confident	69 Å²	69	44.1 Å²	44.1	45%	0.448	23%	0.232	S	C	.	.			trans	-69.1	160.7	178.5	32.3	-37	0	0	0	111.4	L617 F625 A626	L617-P623 WeakPolarHBondContact CB-O 3.47Å; L617-P623 HydrophobicContact CD1-CG 4.48Å; L617-P623 VanDerWaalsContact CG-O 3.29Å; L617-P623 WeakPolarHBondContact CG-O 3.32Å; L617-P623 PolarHBondContact N-O 3.32Å; P623-F625 WeakPolarHBondContact CB-O 3.44Å; P623-A626 HydrophobicContact CG-CB 3.93Å
624	S	79.7	Confident	84.9	Confident	57 Å²	57	46.1 Å²	46.1	40%	0.399	24%	0.242	S	C	.	.	S	Bend	trans	-79.4	-22.5	177.7	-57.3	0	0	0	0	113.9	G605 V615	G605-S624 WeakPolarHBondContact CA-O 3.41Å; V615-S624 VanDerWaalsContact O-CA 3.27Å; V615-S624 WeakPolarHBondContact O-CA 3.31Å; V615-S624 WeakPolarHBondContact O-CB 3.33Å; V615-S624 PolarHBondContact O-OG 3.41Å
625	F	86.5	Confident	85.3	Confident	103 Å²	103	41.7 Å²	41.7	45%	0.452	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	149.5	168.4	62	-92.1	0	0	0	109.3	F573 I604 L617 P623	F573-F625 HydrophobicContact CE2-CB 4.35Å; F573-F625 HydrophobicContact CZ-CB 3.95Å; I604-F625 CarbonylContact O-C 3.55Å; I604-F625 WeakPolarHBondContact O-CA 3.14Å; I604-F625 WeakPolarHBondContact O-CB 3.42Å; L617-F625 VanDerWaalsContact CD1-C 3.45Å; P623-F625 WeakPolarHBondContact CB-O 3.44Å
626	A	87.5	Confident	85.5	Confident	5 Å²	5	49.7 Å²	49.7	4%	0.041	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	153.8	175.5	0	0	0	0	0	112.6	R603 I604 L617 P623 Y628 D895	R603-A626 WeakPolarHBondContact CA-O 3.29Å; I604-A626 PolarHBondContact N-O 3.03Å; I604-A626 PolarHBondContact O-N 3.01Å; L617-A626 HydrophobicContact CD1-CB 3.82Å; L617-A626 VanDerWaalsContact CD1-N 3.35Å; P623-A626 HydrophobicContact CG-CB 3.93Å; A626-Y628 HydrophobicContact CB-CD2 4.26Å; A626-Y628 HydrophobicContact CB-CE2 3.78Å; A626-D895 WeakPolarHBondContact CA-OD2 2.98Å; A626-D895 HydrophobicContact CB-CB 4.18Å
627	N	90.3	Very high	85.7	Confident	43 Å²	43	48.5 Å²	48.5	23%	0.23	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	110.1	165	-63.7	-47.3	0	0	0	109.4	R603 P893 D895	R603-N627 VanDerWaalsContact CB-OD1 3.27Å; R603-N627 WeakPolarHBondContact CB-OD1 3.35Å; R603-N627 WeakPolarHBondContact CG-OD1 3.42Å; N627-P893 WeakPolarHBondContact CB-O 3.31Å; N627-D895 PolarHBondContact N-OD2 3.32Å; N627-D895 PolarHBondContact ND2-OD2 3.46Å; N627-D895 PolarHBondContact O-N 2.94Å
628	Y	90.1	Very high	85.9	Confident	31 Å²	31	50.1 Å²	50.1	12%	0.122	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	135.9	177.4	-79.5	-81.7	0	0	0	111.8	T601 V602 I604 L617 Q618 A626 I637	T601-Y628 CarbonylContact C-O 3.39Å; T601-Y628 WeakPolarHBondContact CA-O 3.41Å; V602-Y628 PolarHBondContact N-O 3.17Å; V602-Y628 PolarHBondContact O-N 2.74Å; I604-Y628 HydrophobicContact CG2-CD2 3.33Å; I604-Y628 HydrophobicContact CG2-CE2 3.41Å; I604-Y628 VanDerWaalsContact CG2-CE2 3.41Å; L617-Y628 HydrophobicContact CB-CE2 4.37Å; L617-Y628 WeakPolarHBondContact CB-OH 3.41Å; L617-Y628 HydrophobicContact CD1-CE2 3.78Å; L617-Y628 HydrophobicContact CG-CE2 4.48Å; Q618-Y628 HydrophobicContact CG-CE1 4.31Å; A626-Y628 HydrophobicContact CB-CD2 4.26Å; A626-Y628 HydrophobicContact CB-CE2 3.78Å; Y628-I637 HydrophobicContact CD1-CD1 4.44Å; Y628-I637 HydrophobicContact CD2-CD1 3.96Å; Y628-I637 HydrophobicContact CD2-CG2 4.39Å; Y628-I637 HydrophobicContact CE2-CG2 4.03Å; Y628-I637 HydrophobicContact CG-CD1 3.84Å; Y628-I637 HydrophobicContact CG-CG1 4.38Å
629	P	92.7	Very high	86.2	Confident	8 Å²	8	46.1 Å²	46.1	5%	0.052	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	139.2	166.9	31.7	-31.1	0	0	0	110.1	L892 V894 F940 G943	P629-L892 HydrophobicContact CB-CD1 4.2Å; P629-V894 HydrophobicContact CB-CG2 3.85Å; P629-V894 HydrophobicContact CG-CG1 4.28Å; P629-V894 HydrophobicContact CG-CG2 3.9Å; P629-F940 HydrophobicContact CB-CE2 4.13Å; P629-F940 HydrophobicContact CB-CZ 4.46Å; P629-G943 WeakPolarHBondContact CG-O 3.31Å
630	L	93.1	Very high	86.5	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.215	C	C	.	.			trans	-108.9	105.5	176.3	-62.7	178.8	0	0	0	108.8	V595 V599 L600 V602 N635 I659 R661 F940	V595-L630 HydrophobicContact CG2-CD1 3.99Å; V599-L630 HydrophobicContact CG1-CD1 4.18Å; L600-L630 PolarHBondContact O-N 3.37Å; V602-L630 HydrophobicContact CB-CD1 4.04Å; V602-L630 HydrophobicContact CG1-CD1 3.89Å; V602-L630 HydrophobicContact CG1-CD2 3.87Å; V602-L630 HydrophobicContact CG1-CG 4.01Å; L630-N635 HydrophobicContact CD2-CB 3.99Å; L630-I659 HydrophobicContact CD1-CG2 4.12Å; L630-I659 HydrophobicContact CD2-CB 4.24Å; L630-I659 HydrophobicContact CD2-CD1 3.89Å; L630-I659 HydrophobicContact CD2-CG2 4.13Å; L630-R661 WeakPolarHBondContact O-CD 2.99Å; L630-R661 PolarHBondContact O-NH1 3.28Å; L630-F940 VanDerWaalsContact C-CE2 3.45Å; L630-F940 WeakPolarHBondContact O-CE2 3.1Å; L630-F940 WeakPolarHBondContact O-CZ 3.47Å
631	G	91.8	Very high	87.1	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.01	19%	0.192	C	C	.	.			trans	-73.9	163.2	172.1	0	0	0	0	0	111.4	N635 R661 F940	G631-N635 PolarHBondContact N-OD1 2.89Å; G631-N635 PolarHBondContact O-ND2 2.89Å; G631-R661 WeakPolarHBondContact O-CB 3.4Å; G631-F940 CarbonylContact C-O 3.5Å; G631-F940 WeakPolarHBondContact CA-O 3.41Å
632	L	91.1	Very high	87.6	Confident	14 Å²	14	30.2 Å²	30.2	7%	0.073	16%	0.157	C	C	.	.	S	Bend	trans	-60	139.7	175.4	-65.2	176.3	0	0	0	112	F597 R661 E662 E939 F940 L941	F597-L632 HydrophobicContact CD2-CD2 3.72Å; F597-L632 HydrophobicContact CE2-CD2 3.83Å; L632-R661 HydrophobicContact CD2-CG 4.41Å; L632-E662 WeakPolarHBondContact CD2-O 3.23Å; L632-E939 HydrophobicContact CD1-CB 3.85Å; L632-E939 HydrophobicContact CD1-CG 4.21Å; L632-F940 PolarHBondContact N-O 3.26Å; L632-L941 HydrophobicContact CB-CD2 4.12Å
633	G	88.4	Confident	87.7	Confident	5 Å²	5	30.5 Å²	30.5	5%	0.052	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	81.9	-144.9	-176.8	0	0	0	0	0	113.4	N635 Y660 R661	G633-N635 PolarHBondContact O-N 2.75Å; G633-N635 PolarHBondContact O-ND2 3.19Å; G633-N635 VanDerWaalsContact O-ND2 3.16Å; G633-Y660 WeakPolarHBondContact O-CA 3.3Å; G633-R661 PolarHBondContact N-O 3.05Å; G633-R661 PolarHBondContact O-N 2.87Å
634	M	87.7	Confident	87.1	Confident	47 Å²	47	32.9 Å²	32.9	23%	0.232	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	118.6	-170.2	-172.8	65.8	66.5	0	0	112.3	Y592 Y660	Y592-M634 HydrophobicContact CE2-CE 3.89Å; Y592-M634 HydrophobicContact CE2-SD 4.44Å; M634-Y660 HydrophobicContact CE-CD2 4.34Å
635	N	90.5	Very high	86.4	Confident	6 Å²	6	32.9 Å²	32.9	3%	0.032	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	140.4	171.7	-60.7	-89.4	0	0	0	109.7	L630 G631 G633 S658 I659	L630-N635 HydrophobicContact CD2-CB 3.99Å; G631-N635 PolarHBondContact N-OD1 2.89Å; G631-N635 PolarHBondContact O-ND2 2.89Å; G633-N635 PolarHBondContact O-N 2.75Å; G633-N635 PolarHBondContact O-ND2 3.19Å; G633-N635 VanDerWaalsContact O-ND2 3.16Å; N635-S658 CarbonylContact O-C 3.21Å; N635-S658 WeakPolarHBondContact O-CA 3.44Å; N635-I659 HydrophobicContact CB-CB 4.38Å; N635-I659 WeakPolarHBondContact CB-O 3.32Å; N635-I659 PolarHBondContact N-O 2.81Å; N635-I659 PolarHBondContact ND2-O 3.21Å; N635-I659 PolarHBondContact O-N 3.23Å
636	R	89.8	Confident	85	Confident	172 Å²	172	30.6 Å²	30.6	65%	0.649	16%	0.155	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-122.4	125.4	179.8	-71.6	-179.6	167.8	171.7	-2.1	110.5	L657	R636-L657 WeakPolarHBondContact CA-O 3.3Å
637	I	89.6	Confident	83.3	Confident	7 Å²	7	35.9 Å²	35.9	4%	0.036	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	125.4	176.2	-54.6	176.3	0	0	0	107.6	V602 I604 Y628 L657 I659	V602-I637 HydrophobicContact CG1-CD1 4.33Å; I604-I637 HydrophobicContact CD1-CD1 4.48Å; I604-I637 HydrophobicContact CD1-CG2 4.31Å; I604-I637 HydrophobicContact CG2-CD1 4.42Å; I604-I637 HydrophobicContact CG2-CG2 4.27Å; Y628-I637 HydrophobicContact CD1-CD1 4.44Å; Y628-I637 HydrophobicContact CD2-CD1 3.96Å; Y628-I637 HydrophobicContact CD2-CG2 4.39Å; Y628-I637 HydrophobicContact CE2-CG2 4.03Å; Y628-I637 HydrophobicContact CG-CD1 3.84Å; Y628-I637 HydrophobicContact CG-CG1 4.38Å; I637-L657 HydrophobicContact CB-CB 4.48Å; I637-L657 PolarHBondContact N-O 2.8Å; I637-L657 PolarHBondContact O-N 3.17Å; I637-I659 HydrophobicContact CD1-CD1 3.74Å
638	S	89.1	Confident	81.2	Confident	36 Å²	36	43.3 Å²	43.3	25%	0.252	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	138.3	171.9	44.2	0	0	0	0	110.7	Q618 Y655	Q618-S638 WeakPolarHBondContact CA-OG 3.49Å; Q618-S638 PolarHBondContact N-O 2.88Å; S638-Y655 CarbonylContact C-O 3.49Å; S638-Y655 WeakPolarHBondContact CA-O 3.45Å
639	M	88.4	Confident	79.5	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	118.3	174.1	-48.2	-178.8	54.1	0	0	108.1	I572 I604 A606 V615 L617 T654 Y655	I572-M639 HydrophobicContact CD1-SD 3.83Å; I572-M639 HydrophobicContact CG1-CE 4.15Å; I572-M639 HydrophobicContact CG1-SD 4.03Å; I572-M639 HydrophobicContact CG2-SD 4.25Å; I604-M639 HydrophobicContact CD1-SD 3.89Å; I604-M639 HydrophobicContact CG1-SD 4.15Å; A606-M639 HydrophobicContact CB-CE 3.4Å; V615-M639 HydrophobicContact CG1-CE 4.03Å; L617-M639 HydrophobicContact CD2-CB 4.2Å; L617-M639 HydrophobicContact CD2-CE 4.1Å; L617-M639 HydrophobicContact CD2-CG 3.62Å; L617-M639 HydrophobicContact CD2-SD 4.36Å; M639-T654 CarbonylContact O-C 3.56Å; M639-T654 WeakPolarHBondContact O-CA 3.48Å; M639-Y655 PolarHBondContact N-O 3.12Å; M639-Y655 PolarHBondContact O-N 2.88Å
640	L	86.8	Confident	77.8	Confident	11 Å²	11	47.4 Å²	47.4	6%	0.058	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	120.4	-179	-64.4	75.5	0	0	0	108.1	V615 H616 Q618 R620 E652	V615-L640 CarbonylContact C-O 3.58Å; V615-L640 WeakPolarHBondContact CA-O 3.45Å; H616-L640 HydrophobicContact CB-CB 4.39Å; H616-L640 PolarHBondContact N-O 3.3Å; H616-L640 WeakPolarHBondContact O-CB 3Å; H616-L640 PolarHBondContact O-N 3.13Å; Q618-L640 VanDerWaalsContact C-CD1 3.43Å; Q618-L640 WeakPolarHBondContact O-CD1 3.32Å; R620-L640 HydrophobicContact CG-CD2 4.05Å; L640-E652 WeakPolarHBondContact CD2-OE1 3.07Å
641	V	85.9	Confident	76.5	Confident	4 Å²	4	51.4 Å²	51.4	2%	0.024	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	118.5	173.7	-171.8	0	0	0	0	107.9	C568 I570 K614 V615 E652 T653 Y655	C568-V641 HydrophobicContact CB-CG1 4.18Å; I570-V641 HydrophobicContact CD1-CG2 3.97Å; I570-V641 HydrophobicContact CG2-CB 4.42Å; I570-V641 HydrophobicContact CG2-CG1 3.85Å; I570-V641 HydrophobicContact CG2-CG2 3.68Å; K614-V641 WeakPolarHBondContact O-CA 3.05Å; V615-V641 HydrophobicContact CG2-CG2 4.32Å; V641-E652 WeakPolarHBondContact O-CA 3.14Å; V641-T653 PolarHBondContact N-O 2.9Å; V641-T653 PolarHBondContact O-N 3.14Å; V641-Y655 HydrophobicContact CB-CE2 4.48Å; V641-Y655 HydrophobicContact CG2-CD2 3.82Å; V641-Y655 HydrophobicContact CG2-CE2 3.59Å
642	V	83	Confident	75.7	Confident	6 Å²	6	54.8 Å²	54.8	4%	0.036	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	117.7	-178.9	-178.3	0	0	0	0	108.6	C613 K614 K644 D650	C613-V642 WeakPolarHBondContact CA-O 2.93Å; K614-V642 PolarHBondContact N-O 3.11Å; K614-V642 PolarHBondContact O-N 2.89Å; V642-K644 HydrophobicContact CG1-CG 4.38Å; V642-D650 HydrophobicContact CG1-CB 4.1Å
643	D	76.9	Confident	75.3	Confident	15 Å²	15	56.2 Å²	56.2	8%	0.08	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	115	169.5	-166.1	-19.1	0	0	0	109.6	C568 K610 S645 T651	C568-D643 WeakPolarHBondContact SG-CB 3.37Å; C568-D643 PolarHBondContact SG-OD2 2.85Å; K610-D643 IonicContact NZ-OD2 3.31Å; D643-S645 VanDerWaalsContact C-N 3.28Å; D643-S645 PolarHBondContact O-N 2.92Å; D643-S645 WeakPolarHBondContact OD1-CB 3.46Å; D643-S645 PolarHBondContact OD1-N 3.42Å; D643-S645 PolarHBondContact OD1-OG 2.93Å; D643-S645 PolarHBondContact OD2-OG 2.05Å; D643-S645 VanDerWaalsContact OD2-OG 3.13Å; D643-T651 PolarHBondContact N-O 2.84Å
644	K	70.5	Confident	75.3	Confident	118 Å²	118	58.3 Å²	58.3	51%	0.513	33%	0.327	S	S	.	.			trans	-86.8	11	178.8	-61.6	-166.5	175	-154.9	0	114	Q612 V642	Q612-K644 PolarHBondContact O-N 2.96Å; V642-K644 HydrophobicContact CG1-CG 4.38Å
645	S	64.1	Low	75.3	Confident	58 Å²	58	56.5 Å²	56.5	41%	0.406	32%	0.317	S	S	.	.			trans	-80.8	-30	-175.5	64.3	0	0	0	0	117	D643	D643-S645 VanDerWaalsContact C-N 3.28Å; D643-S645 PolarHBondContact O-N 2.92Å; D643-S645 WeakPolarHBondContact OD1-CB 3.46Å; D643-S645 PolarHBondContact OD1-N 3.42Å; D643-S645 PolarHBondContact OD1-OG 2.93Å; D643-S645 PolarHBondContact OD2-OG 2.05Å; D643-S645 VanDerWaalsContact OD2-OG 3.13Å
646	P	58.1	Low	75.3	Confident	55 Å²	55	61.7 Å²	61.7	36%	0.357	34%	0.34	S	S	.	.			trans	-84.5	139.1	179.6	-7.5	25.1	0	0	0	113.2	E648	P646-E648 VanDerWaalsContact C-N 3.26Å; P646-E648 PolarHBondContact O-N 3.33Å
647	A	51.3	Low	75.4	Confident	115 Å²	115	53.7 Å²	53.7	95%	0.95	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-5.8	169.6	0	0	0	0	0	113.8
648	E	46.4	Very low	75.5	Confident	200 Å²	200	54.6 Å²	54.6	94%	0.935	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.4	11.3	-176.6	-84.8	-176.4	156.1	0	0	114.7	P646	P646-E648 VanDerWaalsContact C-N 3.26Å; P646-E648 PolarHBondContact O-N 3.33Å
649	G	54.8	Low	75.7	Confident	42 Å²	42	52.9 Å²	52.9	43%	0.433	31%	0.305	S	S	.	.			trans	129.4	143.4	172.8	0	0	0	0	0	113.6	T651	G649-T651 PolarHBondContact O-N 2.95Å
650	D	57.7	Low	75.9	Confident	83 Å²	83	56.3 Å²	56.3	44%	0.444	32%	0.318	S	S	.	.			trans	-61.6	113.1	178.5	-66.1	-26.4	0	0	0	110.3	R620 V642 E652	R620-D650 IonicContact NH1-OD2 3.96Å; V642-D650 HydrophobicContact CG1-CB 4.1Å; D650-E652 PolarHBondContact O-N 3.11Å
651	T	64.8	Low	76.2	Confident	83 Å²	83	55.8 Å²	55.8	51%	0.509	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	111.7	169.2	45.5	0	0	0	0	109	D643 G649	D643-T651 PolarHBondContact N-O 2.84Å; G649-T651 PolarHBondContact O-N 2.95Å
652	E	75.6	Confident	76.3	Confident	72 Å²	72	59.5 Å²	59.5	34%	0.336	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	119.9	-177.4	-171	-178.5	149.2	0	0	110.8	R620 L640 V641 D650	R620-E652 IonicContact CZ-OE2 3.62Å; R620-E652 IonicContact NE-OE2 3.42Å; R620-E652 PolarHBondContact NE-OE2 3.13Å; R620-E652 IonicContact NH2-OE2 3.68Å; R620-E652 PolarHBondContact NH2-OE2 3.43Å; L640-E652 WeakPolarHBondContact CD2-OE1 3.07Å; V641-E652 WeakPolarHBondContact O-CA 3.14Å; D650-E652 PolarHBondContact O-N 3.11Å
653	T	82.6	Confident	76.3	Confident	45 Å²	45	62.5 Å²	62.5	28%	0.276	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	117.6	171.9	-59.6	0	0	0	0	110	V641 Y655	V641-T653 PolarHBondContact N-O 2.9Å; V641-T653 PolarHBondContact O-N 3.14Å; T653-Y655 HydrophobicContact CG2-CD2 4.21Å; T653-Y655 HydrophobicContact CG2-CE2 3.6Å
654	T	87.3	Confident	76.6	Confident	48 Å²	48	62.8 Å²	62.8	29%	0.294	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	124	175.6	-42.7	0	0	0	0	111	M639 K656	M639-T654 CarbonylContact O-C 3.56Å; M639-T654 WeakPolarHBondContact O-CA 3.48Å; T654-K656 HydrophobicContact CG2-CG 4.48Å
655	Y	88.4	Confident	76.7	Confident	10 Å²	10	60.5 Å²	60.5	4%	0.039	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	136.8	166	-61.3	-96.4	0	0	0	109.1	I570 P586 V588 K589 Y591 S638 M639 V641 T653	I570-Y655 HydrophobicContact CD1-CD1 4.32Å; I570-Y655 HydrophobicContact CD1-CD2 3.51Å; I570-Y655 HydrophobicContact CD1-CE1 4.14Å; I570-Y655 HydrophobicContact CD1-CE2 3.32Å; I570-Y655 HydrophobicContact CD1-CG 4.01Å; I570-Y655 HydrophobicContact CG1-CE2 3.98Å; P586-Y655 PolarHBondContact O-OH 3.48Å; V588-Y655 VanDerWaalsContact O-CD1 3.32Å; V588-Y655 WeakPolarHBondContact O-CD1 3.36Å; V588-Y655 WeakPolarHBondContact O-CE1 3.37Å; K589-Y655 CarbonylContact O-C 3.05Å; K589-Y655 VanDerWaalsContact O-CA 3.31Å; K589-Y655 WeakPolarHBondContact O-CA 3.35Å; Y591-Y655 HydrophobicContact CE2-CD1 4.07Å; S638-Y655 CarbonylContact C-O 3.49Å; S638-Y655 WeakPolarHBondContact CA-O 3.45Å; M639-Y655 PolarHBondContact N-O 3.12Å; M639-Y655 PolarHBondContact O-N 2.88Å; V641-Y655 HydrophobicContact CB-CE2 4.48Å; V641-Y655 HydrophobicContact CG2-CD2 3.82Å; V641-Y655 HydrophobicContact CG2-CE2 3.59Å; T653-Y655 HydrophobicContact CG2-CD2 4.21Å; T653-Y655 HydrophobicContact CG2-CE2 3.6Å
656	K	91.1	Very high	77	Confident	115 Å²	115	59.4 Å²	59.4	50%	0.5	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	122.1	179	-61.4	-178.6	-168.3	158.6	0	109	K589 D590 Y591 T654	K589-K656 PolarHBondContact O-N 2.63Å; D590-K656 WeakPolarHBondContact CA-O 3.33Å; D590-K656 WeakPolarHBondContact OD1-CB 3.45Å; D590-K656 WeakPolarHBondContact OD1-CD 3.34Å; Y591-K656 PolarHBondContact N-O 2.72Å; T654-K656 HydrophobicContact CG2-CG 4.48Å
657	L	91.1	Very high	77.2	Confident	3 Å²	3	58.9 Å²	58.9	2%	0.016	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	120.1	173	-179	62.2	0	0	0	109.3	L578 L580 I604 R636 I637 I659	L578-L657 HydrophobicContact CD1-CD2 4.35Å; L580-L657 HydrophobicContact CD2-CD1 3.36Å; L580-L657 HydrophobicContact CD2-CD2 4.34Å; I604-L657 HydrophobicContact CD1-CD2 3.37Å; R636-L657 WeakPolarHBondContact CA-O 3.3Å; I637-L657 HydrophobicContact CB-CB 4.48Å; I637-L657 PolarHBondContact N-O 2.8Å; I637-L657 PolarHBondContact O-N 3.17Å; L657-I659 HydrophobicContact CD1-CG1 4.41Å; L657-I659 HydrophobicContact CD2-CD1 3.74Å; L657-I659 HydrophobicContact CD2-CG1 3.9Å; L657-I659 HydrophobicContact CG-CD1 4.12Å; L657-I659 HydrophobicContact CG-CG1 3.72Å
658	S	92.3	Very high	77.6	Confident	27 Å²	27	57 Å²	57	19%	0.189	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	110.4	175.3	-61.7	0	0	0	0	108.9	Y591 Y592 C593 N635	Y591-S658 PolarHBondContact O-N 2.84Å; Y592-S658 CarbonylContact C-O 3.53Å; Y592-S658 VanDerWaalsContact CA-O 3.29Å; Y592-S658 WeakPolarHBondContact CA-O 3.37Å; Y592-S658 WeakPolarHBondContact CD2-O 3.4Å; C593-S658 PolarHBondContact N-O 3.23Å; N635-S658 CarbonylContact O-C 3.21Å; N635-S658 WeakPolarHBondContact O-CA 3.44Å
659	I	92.9	Very high	77.9	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	113.3	-177.2	-49.4	179	0	0	0	108.2	L578 C593 V595 V602 L630 N635 I637 L657	L578-I659 HydrophobicContact CD1-CD1 3.76Å; L578-I659 HydrophobicContact CD1-CG1 4.41Å; C593-I659 CarbonylContact O-C 3.54Å; C593-I659 WeakPolarHBondContact O-CA 3.43Å; V595-I659 HydrophobicContact CG1-CG2 3.95Å; V595-I659 HydrophobicContact CG2-CG2 3.96Å; V602-I659 HydrophobicContact CG1-CD1 3.93Å; L630-I659 HydrophobicContact CD1-CG2 4.12Å; L630-I659 HydrophobicContact CD2-CB 4.24Å; L630-I659 HydrophobicContact CD2-CD1 3.89Å; L630-I659 HydrophobicContact CD2-CG2 4.13Å; N635-I659 HydrophobicContact CB-CB 4.38Å; N635-I659 WeakPolarHBondContact CB-O 3.32Å; N635-I659 PolarHBondContact N-O 2.81Å; N635-I659 PolarHBondContact ND2-O 3.21Å; N635-I659 PolarHBondContact O-N 3.23Å; I637-I659 HydrophobicContact CD1-CD1 3.74Å; L657-I659 HydrophobicContact CD1-CG1 4.41Å; L657-I659 HydrophobicContact CD2-CD1 3.74Å; L657-I659 HydrophobicContact CD2-CG1 3.9Å; L657-I659 HydrophobicContact CG-CD1 4.12Å; L657-I659 HydrophobicContact CG-CG1 3.72Å
660	Y	92.3	Very high	77.8	Confident	72 Å²	72	50.2 Å²	50.2	28%	0.282	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	113.9	173.4	-175.1	-97.4	0	0	0	110.1	Y592 C593 E594 V595 G633 M634 E662	Y592-Y660 WeakPolarHBondContact OH-CB 3.41Å; C593-Y660 PolarHBondContact O-N 3.45Å; E594-Y660 CarbonylContact C-O 3.45Å; E594-Y660 VanDerWaalsContact CA-O 3.29Å; E594-Y660 WeakPolarHBondContact CA-O 3.5Å; V595-Y660 PolarHBondContact N-O 3.08Å; G633-Y660 WeakPolarHBondContact O-CA 3.3Å; M634-Y660 HydrophobicContact CE-CD2 4.34Å; Y660-E662 HydrophobicContact CE1-CG 4.49Å
661	R	93.1	Very high	77.6	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	124.3	172.6	-179.1	177.1	171	-138.8	-18.4	109.4	V595 F597 V599 L630 G631 L632 G633 K938	V595-R661 HydrophobicContact CG2-CB 3.83Å; V595-R661 HydrophobicContact CG2-CG 4.05Å; F597-R661 VanDerWaalsContact O-CZ 3.24Å; F597-R661 PolarHBondContact O-NE 3.49Å; F597-R661 PolarHBondContact O-NH2 3.48Å; V599-R661 WeakPolarHBondContact O-CD 3.41Å; V599-R661 PolarHBondContact O-NE 2.73Å; L630-R661 WeakPolarHBondContact O-CD 2.99Å; L630-R661 PolarHBondContact O-NH1 3.28Å; G631-R661 WeakPolarHBondContact O-CB 3.4Å; L632-R661 HydrophobicContact CD2-CG 4.41Å; G633-R661 PolarHBondContact N-O 3.05Å; G633-R661 PolarHBondContact O-N 2.87Å; R661-K938 VanDerWaalsContact CZ-O 3.31Å; R661-K938 PolarHBondContact NH1-O 3.01Å; R661-K938 PolarHBondContact NH2-O 2.74Å
662	E	88.2	Confident	77.6	Confident	82 Å²	82	54.7 Å²	54.7	38%	0.383	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-63.2	145.7	-178.9	-66.3	178.4	167.8	0	0	112.8	V595 F597 L632 Y660	V595-E662 PolarHBondContact O-N 3.25Å; F597-E662 WeakPolarHBondContact CA-O 3.31Å; L632-E662 WeakPolarHBondContact CD2-O 3.23Å; Y660-E662 HydrophobicContact CE1-CG 4.49Å
663	D	83.9	Confident	77.7	Confident	70 Å²	70	53.2 Å²	53.2	37%	0.374	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-72.4	167.4	165.8	-75	-45.2	0	0	0	110.7
664	R	82.5	Confident	77.8	Confident	21 Å²	21	54 Å²	54	8%	0.079	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-57.5	129.3	173.8	-73.5	-169.1	-175.2	-111.9	0.2	110.5	F597 S666 D681 W737 E939	F597-R664 HydrophobicContact CD1-CG 4.05Å; F597-R664 HydrophobicContact CD2-CG 3.8Å; F597-R664 HydrophobicContact CE1-CG 3.74Å; F597-R664 HydrophobicContact CE2-CG 3.47Å; F597-R664 VanDerWaalsContact CE2-CG 3.47Å; F597-R664 HydrophobicContact CG-CG 4.08Å; F597-R664 HydrophobicContact CZ-CG 3.44Å; F597-R664 VanDerWaalsContact CZ-CG 3.44Å; R664-S666 PolarHBondContact O-N 2.76Å; R664-S666 PolarHBondContact O-OG 3.12Å; R664-S666 VanDerWaalsContact O-OG 3.11Å; R664-D681 IonicContact NH2-OD2 3.63Å; R664-W737 HydrophobicContact CB-CB 4.05Å; R664-W737 HydrophobicContact CB-CD2 4.17Å; R664-W737 HydrophobicContact CB-CG 3.71Å; R664-W737 HydrophobicContact CG-CD2 4.35Å; R664-W737 HydrophobicContact CG-CG 4.39Å; R664-W737 VanDerWaalsContact NH1-CH2 3.33Å; R664-E939 IonicContact CZ-OE1 3.41Å; R664-E939 IonicContact NE-OE1 3.1Å; R664-E939 PolarHBondContact NE-OE1 2.74Å; R664-E939 IonicContact NH2-OE1 2.82Å
665	P	71.5	Confident	77.8	Confident	69 Å²	69	52 Å²	52	45%	0.448	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-59.4	125.9	178.1	23.8	-32.6	0	0	0	109.5	R733 W737	P665-R733 HydrophobicContact CG-CB 4.41Å; P665-R733 HydrophobicContact CG-CG 3.99Å; P665-W737 VanDerWaalsContact O-CD1 3.25Å
666	S	70.8	Confident	78	Confident	36 Å²	36	51.5 Å²	51.5	25%	0.252	27%	0.266	S	S	.	.			trans	-123.7	114.5	-174.4	-61.5	0	0	0	0	111	R664 W737	R664-S666 PolarHBondContact O-N 2.76Å; R664-S666 PolarHBondContact O-OG 3.12Å; R664-S666 VanDerWaalsContact O-OG 3.11Å; S666-W737 WeakPolarHBondContact OG-CB 3.19Å; S666-W737 PolarHBondContact OG-N 3.11Å
667	L	63.5	Low	78.1	Confident	44 Å²	44	46.1 Å²	46.1	23%	0.23	24%	0.243	C	C	.	.			trans	-77.3	132.8	175	-71.4	179.4	0	0	0	110.9	F314 F670 R733 C735 R738	F314-L667 HydrophobicContact CZ-CD2 4.44Å; L667-F670 HydrophobicContact CB-CE1 4.31Å; L667-F670 HydrophobicContact CB-CZ 3.66Å; L667-F670 HydrophobicContact CD1-CZ 4.15Å; L667-R733 WeakPolarHBondContact CG-O 3.27Å; L667-C735 PolarHBondContact N-O 3.49Å; L667-R738 PolarHBondContact O-NH2 3.29Å
668	P	58.5	Low	78.2	Confident	74 Å²	74	46.4 Å²	46.4	48%	0.481	24%	0.244	S	C	.	.			trans	-78.3	135.1	173.5	29.3	-30.2	0	0	0	115
669	F	52.8	Low	78.2	Confident	83 Å²	83	46.4 Å²	46.4	36%	0.364	24%	0.243	S	C	.	.			trans	56.2	119.7	162.3	-163.3	-104.8	0	0	0	117.4	E671 N971 I973	F669-E671 HydrophobicContact CD1-CG 4.48Å; F669-E671 HydrophobicContact CE1-CG 3.55Å; F669-E671 HydrophobicContact CZ-CG 4Å; F669-N971 WeakPolarHBondContact CE2-O 3.32Å; F669-I973 HydrophobicContact CE2-CD1 4.5Å; F669-I973 HydrophobicContact CZ-CD1 3.89Å; F669-I973 HydrophobicContact CZ-CG1 4.34Å
670	F	54	Low	78.1	Confident	17 Å²	17	46.4 Å²	46.4	8%	0.075	24%	0.243	C	C	.	.			trans	-128.7	126.4	170	-50.2	-60.2	0	0	0	109.2	L667 D672 F673 L727 T734	L667-F670 HydrophobicContact CB-CE1 4.31Å; L667-F670 HydrophobicContact CB-CZ 3.66Å; L667-F670 HydrophobicContact CD1-CZ 4.15Å; F670-D672 WeakPolarHBondContact CB-O 3.33Å; F670-F673 HydrophobicContact CB-CB 4.1Å; F670-F673 HydrophobicContact CD2-CB 4.46Å; F670-L727 HydrophobicContact CD1-CD1 4.19Å; F670-L727 HydrophobicContact CD1-CD2 3.36Å; F670-L727 HydrophobicContact CD1-CG 3.73Å; F670-L727 HydrophobicContact CE1-CD1 3.52Å; F670-L727 HydrophobicContact CE1-CD2 3.56Å; F670-L727 HydrophobicContact CE1-CG 3.34Å; F670-L727 HydrophobicContact CE2-CG 4.29Å; F670-L727 HydrophobicContact CG-CD2 3.9Å; F670-L727 HydrophobicContact CG-CG 4.34Å; F670-L727 HydrophobicContact CZ-CD1 4.02Å; F670-L727 HydrophobicContact CZ-CD2 4.23Å; F670-L727 HydrophobicContact CZ-CG 3.64Å; F670-T734 WeakPolarHBondContact CE2-O 3.44Å; F670-T734 VanDerWaalsContact CZ-O 3.29Å; F670-T734 WeakPolarHBondContact CZ-O 3.47Å
671	E	52.9	Low	78	Confident	133 Å²	133	44 Å²	44	62%	0.621	24%	0.235	S	C	*	.	S	Bend	trans	-71.1	-42.5	167.7	-64.6	-169.7	158.2	0	0	110.3	F669 I973	F669-E671 HydrophobicContact CD1-CG 4.48Å; F669-E671 HydrophobicContact CE1-CG 3.55Å; F669-E671 HydrophobicContact CZ-CG 4Å; E671-I973 HydrophobicContact CG-CD1 4.15Å
672	D	65.3	Low	77.9	Confident	127 Å²	127	47.3 Å²	47.3	68%	0.679	26%	0.257	S	S	*	.	S	Bend	trans	-106	117.8	168.8	-56.5	-45.4	0	0	0	111.1	K301 F670	K301-D672 PolarHBondContact NZ-O 3.02Å; F670-D672 WeakPolarHBondContact CB-O 3.33Å
673	F	76.8	Confident	77.9	Confident	41 Å²	41	46 Å²	46	18%	0.18	27%	0.265	C	S	.	.			trans	-129.6	150.2	176.4	67.7	-86.6	0	0	0	111.2	F670 A675 P725 V974 Y977 F978	F670-F673 HydrophobicContact CB-CB 4.1Å; F670-F673 HydrophobicContact CD2-CB 4.46Å; F673-A675 HydrophobicContact CE2-CB 4.37Å; F673-P725 HydrophobicContact CB-CB 4.08Å; F673-P725 HydrophobicContact CD2-CB 3.52Å; F673-P725 HydrophobicContact CE2-CB 4.14Å; F673-P725 HydrophobicContact CG-CB 3.87Å; F673-V974 HydrophobicContact CD1-CG2 4.46Å; F673-V974 HydrophobicContact CE1-CG2 4.34Å; F673-Y977 AromaticContact CE1-CD2 3.84Å; F673-Y977 HydrophobicContact CE1-CD2 3.84Å; F673-Y977 HydrophobicContact CE1-CE2 4.13Å; F673-Y977 HydrophobicContact CE1-CG 4.47Å; F673-Y977 AromaticContact CZ-CD2 3.77Å; F673-Y977 HydrophobicContact CZ-CD2 3.77Å; F673-Y977 HydrophobicContact CZ-CE2 4.4Å; F673-Y977 AromaticContact CZ-CG 3.96Å; F673-Y977 HydrophobicContact CZ-CG 3.96Å; F673-F978 AromaticContact CE2-CE2 3.84Å; F673-F978 HydrophobicContact CE2-CE2 3.84Å; F673-F978 HydrophobicContact CE2-CZ 4.06Å; F673-F978 HydrophobicContact CZ-CE2 4.05Å
674	T	85.1	Confident	78.2	Confident	61 Å²	61	43.3 Å²	43.3	37%	0.374	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	128.4	164	-55.9	0	0	0	0	108	C676 P696 C726	T674-C676 PolarHBondContact O-N 2.96Å; T674-P696 HydrophobicContact CG2-CB 4.31Å; T674-C726 PolarHBondContact N-O 3.31Å; T674-C726 PolarHBondContact O-N 2.74Å
675	A	87.8	Confident	78.6	Confident	6 Å²	6	45.8 Å²	45.8	5%	0.05	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	122.7	171	0	0	0	0	0	108.9	F673 I697 I702 I723 F978	F673-A675 HydrophobicContact CE2-CB 4.37Å; A675-I697 HydrophobicContact CB-CB 4.27Å; A675-I697 HydrophobicContact CB-CD1 4.44Å; A675-I697 WeakPolarHBondContact O-CB 3.49Å; A675-I697 PolarHBondContact O-N 3.42Å; A675-I702 HydrophobicContact CB-CD1 3.49Å; A675-I702 VanDerWaalsContact CB-CD1 3.49Å; A675-I702 HydrophobicContact CB-CG1 3.71Å; A675-I723 HydrophobicContact CB-CG2 4.16Å; A675-F978 HydrophobicContact CB-CZ 4.44Å
676	C	91.4	Very high	79.5	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	129.7	-179.9	-56.8	0	0	0	0	109.9	T674 L694 Q695 I723 V724 C729	T674-C676 PolarHBondContact O-N 2.96Å; C676-L694 HydrophobicContact CB-CB 4.23Å; C676-L694 HydrophobicContact CB-CD2 3.79Å; C676-Q695 CarbonylContact C-O 3.46Å; C676-Q695 VanDerWaalsContact CA-O 3.26Å; C676-Q695 WeakPolarHBondContact CA-O 3.39Å; C676-I723 CarbonylContact O-C 3.58Å; C676-I723 WeakPolarHBondContact O-CA 3.46Å; C676-V724 HydrophobicContact CB-CG1 4.38Å; C676-V724 PolarHBondContact N-O 3.06Å; C676-V724 PolarHBondContact O-N 3.22Å; C676-C729 VanDerWaalsContact CA-SG 3.59Å; C676-C729 HydrophobicContact CB-CB 3.82Å; C676-C729 WeakPolarHBondContact CB-SG 3.29Å; C676-C729 WeakPolarHBondContact SG-CA 3.4Å; C676-C729 WeakPolarHBondContact SG-CB 3.2Å; C676-C729 CovalentContact SG-SG 2.03Å; C676-C729 PolarHBondContact SG-SG 3.24Å
677	G	92.8	Very high	80.5	Confident	2 Å²	2	42.6 Å²	42.6	2%	0.021	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	144.3	-177.3	0	0	0	0	0	111.7	Q695 W722	G677-Q695 PolarHBondContact N-O 3.47Å; G677-Q695 PolarHBondContact O-N 2.75Å; G677-W722 CarbonylContact C-O 3.52Å; G677-W722 WeakPolarHBondContact CA-O 3.19Å
678	F	93.9	Very high	81.5	Confident	9 Å²	9	45 Å²	45	4%	0.039	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	152	170.2	68.5	-74.1	0	0	0	111.8	G693 L694 W722 V724 W737 I740 G935 R936	F678-G693 WeakPolarHBondContact CB-O 3.43Å; F678-L694 HydrophobicContact CD1-CD2 3.41Å; F678-L694 VanDerWaalsContact CD1-CD2 3.41Å; F678-L694 HydrophobicContact CD1-CG 4.38Å; F678-L694 HydrophobicContact CE1-CD2 3.85Å; F678-L694 HydrophobicContact CG-CD2 4.22Å; F678-W722 HydrophobicContact CD1-CB 3.89Å; F678-W722 HydrophobicContact CE1-CB 3.49Å; F678-W722 VanDerWaalsContact CE1-CB 3.49Å; F678-W722 HydrophobicContact CE1-CG 4.39Å; F678-W722 HydrophobicContact CE2-CB 4.22Å; F678-W722 HydrophobicContact CE2-CG 4.45Å; F678-W722 HydrophobicContact CG-CB 4.43Å; F678-W722 HydrophobicContact CZ-CB 3.66Å; F678-W722 HydrophobicContact CZ-CG 4.09Å; F678-W722 PolarHBondContact N-O 3.47Å; F678-W722 PolarHBondContact O-N 3.43Å; F678-V724 HydrophobicContact CE1-CG1 4.36Å; F678-W737 AromaticContact CE1-CH2 3.95Å; F678-W737 HydrophobicContact CE1-CH2 3.95Å; F678-W737 AromaticContact CE1-CZ3 3.83Å; F678-W737 HydrophobicContact CE1-CZ3 3.83Å; F678-W737 AromaticContact CZ-CH2 4Å; F678-W737 HydrophobicContact CZ-CH2 4Å; F678-W737 AromaticContact CZ-CZ3 3.69Å; F678-W737 HydrophobicContact CZ-CZ3 3.69Å; F678-I740 HydrophobicContact CE1-CD1 3.89Å; F678-I740 HydrophobicContact CZ-CD1 3.91Å; F678-G935 WeakPolarHBondContact CE2-O 3.48Å; F678-R936 HydrophobicContact CE2-CG 4.26Å; F678-R936 HydrophobicContact CZ-CG 4.2Å
679	V	91.5	Very high	83	Confident	28 Å²	28	50.9 Å²	50.9	17%	0.17	28%	0.279	C	S	.	.	S	Bend	trans	-114.4	-37.5	-177.8	-179.1	0	0	0	0	110.3	Q721 M934 G935	V679-Q721 HydrophobicContact CG2-CB 3.66Å; V679-M934 HydrophobicContact CB-CE 4.23Å; V679-M934 HydrophobicContact CG1-CE 3.05Å; V679-M934 WeakPolarHBondContact O-CE 3.43Å; V679-M934 WeakPolarHBondContact O-CG 3.26Å; V679-G935 WeakPolarHBondContact O-CA 3.28Å; V679-G935 PolarHBondContact O-N 2.83Å
680	Q	91.4	Very high	84.6	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.28	C	S	.	.	S	Bend	trans	-132.2	154.1	176.5	65.1	-177.3	-30.1	0	0	112.2	K687 E690 T691 C692 G693	Q680-K687 PolarHBondContact NE2-O 3.39Å; Q680-K687 PolarHBondContact OE1-O 3.05Å; Q680-E690 PolarHBondContact NE2-O 3.42Å; Q680-T691 PolarHBondContact NE2-O 2.9Å; Q680-C692 HydrophobicContact CG-CB 3.98Å; Q680-G693 PolarHBondContact O-N 2.93Å
681	D	91.3	Very high	86.3	Confident	22 Å²	22	54.8 Å²	54.8	12%	0.118	31%	0.306	C	S	.	.			trans	-92.2	140.9	177.5	-174.6	-89.1	0	0	0	110.5	R664 G683 L684 H937 K938	R664-D681 IonicContact NH2-OD2 3.63Å; D681-G683 PolarHBondContact O-N 3.35Å; D681-G683 WeakPolarHBondContact OD1-CA 3.44Å; D681-G683 PolarHBondContact OD1-N 2.93Å; D681-L684 CarbonylContact O-C 3.56Å; D681-L684 PolarHBondContact O-N 3.21Å; D681-H937 IonicContact OD1-CE1 3.27Å; D681-K938 IonicContact OD1-NZ 2.73Å
682	C	90.8	Very high	88.2	Confident	69 Å²	69	50.2 Å²	50.2	47%	0.466	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-15.6	-177.8	-61.8	0	0	0	0	113.9	L684 C692 G693	C682-L684 VanDerWaalsContact C-N 3.28Å; C682-C692 VanDerWaalsContact CA-SG 3.5Å; C682-C692 HydrophobicContact CB-CB 3.97Å; C682-C692 WeakPolarHBondContact CB-SG 3.18Å; C682-C692 WeakPolarHBondContact SG-CB 3.08Å; C682-C692 CovalentContact SG-SG 2.05Å; C682-C692 PolarHBondContact SG-SG 3.33Å; C682-G693 PolarHBondContact SG-N 2.76Å; C682-G693 VanDerWaalsContact SG-N 3.42Å
683	G	87.8	Confident	89.4	Confident	53 Å²	53	45 Å²	45	55%	0.546	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-14.9	174.6	0	0	0	0	0	114.1	D681	D681-G683 PolarHBondContact O-N 3.35Å; D681-G683 WeakPolarHBondContact OD1-CA 3.44Å; D681-G683 PolarHBondContact OD1-N 2.93Å
684	L	89.3	Confident	90.2	Very high	14 Å²	14	44.1 Å²	44.1	7%	0.073	26%	0.262	C	S	.	.	S	Bend	trans	-145.8	87.3	177.9	-170	73.1	0	0	0	110	D681 C682 I686 I888 H891 Q902 V905 H937	D681-L684 CarbonylContact O-C 3.56Å; D681-L684 PolarHBondContact O-N 3.21Å; C682-L684 VanDerWaalsContact C-N 3.28Å; L684-I686 HydrophobicContact CG-CG1 4.46Å; L684-I686 WeakPolarHBondContact O-CG1 3.3Å; L684-I686 PolarHBondContact O-N 3.08Å; L684-I686 VanDerWaalsContact O-N 3.08Å; L684-I888 HydrophobicContact CD2-CD1 3.87Å; L684-I888 HydrophobicContact CD2-CG1 3.94Å; L684-H891 HydrophobicContact CD2-CB 4.17Å; L684-Q902 VanDerWaalsContact CD1-OE1 3.27Å; L684-V905 HydrophobicContact CD2-CG1 4.26Å; L684-V905 HydrophobicContact CG-CG1 4.48Å; L684-H937 VanDerWaalsContact CB-CE1 3.46Å; L684-H937 WeakPolarHBondContact CB-CE1 3.03Å; L684-H937 HydrophobicContact CD2-CB 4.37Å
685	L	90.7	Very high	90.6	Very high	73 Å²	73	45.2 Å²	45.2	38%	0.382	26%	0.262	S	S	.	.			trans	-75.9	92.3	-175.1	-68	177.6	0	0	0	113.4	C692 Q902 Q906	L685-C692 HydrophobicContact CD2-CB 3.56Å; L685-Q902 VanDerWaalsContact N-NE2 3.15Å; L685-Q902 PolarHBondContact O-NE2 3.19Å; L685-Q906 PolarHBondContact O-NE2 3.49Å
686	I	91.5	Very high	90.8	Very high	4 Å²	4	49.1 Å²	49.1	2%	0.021	29%	0.287	C	S	.	.	S	Bend	trans	-80.9	-36.6	-178.7	-51.1	-165.3	0	0	0	112.1	L684 P688 I888 V905 Q906 H909 F930 M934	L684-I686 HydrophobicContact CG-CG1 4.46Å; L684-I686 WeakPolarHBondContact O-CG1 3.3Å; L684-I686 PolarHBondContact O-N 3.08Å; L684-I686 VanDerWaalsContact O-N 3.08Å; I686-P688 WeakPolarHBondContact O-CD 3.05Å; I686-I888 HydrophobicContact CD1-CD1 3.47Å; I686-I888 VanDerWaalsContact CD1-CD1 3.47Å; I686-I888 HydrophobicContact CD1-CG1 4.28Å; I686-V905 HydrophobicContact CD1-CG1 3.83Å; I686-V905 HydrophobicContact CG1-CG1 3.92Å; I686-Q906 WeakPolarHBondContact O-CG 3.41Å; I686-H909 HydrophobicContact CG2-CB 3.62Å; I686-F930 HydrophobicContact CD1-CE1 4.15Å; I686-F930 HydrophobicContact CD1-CZ 4.06Å; I686-F930 HydrophobicContact CG2-CE1 3.95Å; I686-F930 HydrophobicContact CG2-CZ 4.06Å; I686-M934 HydrophobicContact CD1-CB 3.46Å; I686-M934 VanDerWaalsContact CD1-CB 3.46Å; I686-M934 HydrophobicContact CD1-SD 4.47Å
687	K	90.8	Very high	90.7	Very high	34 Å²	34	50.3 Å²	50.3	15%	0.148	29%	0.293	C	S	.	.			trans	-120.3	92.9	178	-65.4	-179.3	179.6	179.8	0	109.4	Q680 E689 E690 H909	Q680-K687 PolarHBondContact NE2-O 3.39Å; Q680-K687 PolarHBondContact OE1-O 3.05Å; K687-E689 PolarHBondContact O-N 3.41Å; K687-E689 VanDerWaalsContact O-N 3.13Å; K687-E690 HydrophobicContact CB-CB 4.11Å; K687-E690 HydrophobicContact CB-CG 4.36Å; K687-E690 HydrophobicContact CD-CB 4.46Å; K687-E690 HydrophobicContact CD-CG 4.1Å; K687-E690 WeakPolarHBondContact CD-OE1 3.3Å; K687-E690 WeakPolarHBondContact CD-OE2 3.36Å; K687-E690 VanDerWaalsContact NZ-CD 3.26Å; K687-E690 IonicContact NZ-OE1 2.76Å; K687-E690 PolarHBondContact NZ-OE1 2.92Å; K687-E690 IonicContact NZ-OE2 3.81Å; K687-E690 PolarHBondContact NZ-OE2 2.98Å; K687-E690 PolarHBondContact O-N 3.25Å; K687-E690 VanDerWaalsContact O-N 3.11Å; K687-H909 WeakPolarHBondContact CE-CE1 3.47Å; K687-H909 WeakPolarHBondContact CE-NE2 3.06Å
688	P	86.4	Confident	90.4	Very high	95 Å²	95	53.5 Å²	53.5	62%	0.617	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-25.2	-178.4	-25.2	35.1	0	0	0	114	I686	I686-P688 WeakPolarHBondContact O-CD 3.05Å
689	E	88.1	Confident	89.7	Confident	198 Å²	198	57.3 Å²	57.3	93%	0.925	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-14.1	-179	-56.5	-164.7	-154.7	0	0	113.8	K687	K687-E689 PolarHBondContact O-N 3.41Å; K687-E689 VanDerWaalsContact O-N 3.13Å
690	E	88	Confident	89.3	Confident	80 Å²	80	61.5 Å²	61.5	37%	0.374	36%	0.364	S	S	.	.	S	Bend	trans	-101.7	150.6	176.8	-72.1	-178.1	-163.3	0	0	110.6	Q680 K687	Q680-E690 PolarHBondContact NE2-O 3.42Å; K687-E690 HydrophobicContact CB-CB 4.11Å; K687-E690 HydrophobicContact CB-CG 4.36Å; K687-E690 HydrophobicContact CD-CB 4.46Å; K687-E690 HydrophobicContact CD-CG 4.1Å; K687-E690 WeakPolarHBondContact CD-OE1 3.3Å; K687-E690 WeakPolarHBondContact CD-OE2 3.36Å; K687-E690 VanDerWaalsContact NZ-CD 3.26Å; K687-E690 IonicContact NZ-OE1 2.76Å; K687-E690 PolarHBondContact NZ-OE1 2.92Å; K687-E690 IonicContact NZ-OE2 3.81Å; K687-E690 PolarHBondContact NZ-OE2 2.98Å; K687-E690 PolarHBondContact O-N 3.25Å; K687-E690 VanDerWaalsContact O-N 3.11Å
691	T	88.9	Confident	88.9	Confident	102 Å²	102	63.1 Å²	63.1	63%	0.626	37%	0.371	S	S	*	.			trans	-62.5	146.4	174.2	53.1	0	0	0	0	111.3	Q680	Q680-T691 PolarHBondContact NE2-O 2.9Å
692	C	92	Very high	88.4	Confident	36 Å²	36	62.7 Å²	62.7	24%	0.243	37%	0.369	C	S	.	.			trans	-109.2	160.1	174	74.1	0	0	0	0	111.6	Q680 C682 L685 Q695	Q680-C692 HydrophobicContact CG-CB 3.98Å; C682-C692 VanDerWaalsContact CA-SG 3.5Å; C682-C692 HydrophobicContact CB-CB 3.97Å; C682-C692 WeakPolarHBondContact CB-SG 3.18Å; C682-C692 WeakPolarHBondContact SG-CB 3.08Å; C682-C692 CovalentContact SG-SG 2.05Å; C682-C692 PolarHBondContact SG-SG 3.33Å; L685-C692 HydrophobicContact CD2-CB 3.56Å; C692-Q695 PolarHBondContact O-NE2 2.78Å
693	G	91.1	Very high	87.8	Confident	17 Å²	17	65.4 Å²	65.4	18%	0.175	37%	0.374	C	S	.	.	S	Bend	trans	72.4	-174.9	176.4	0	0	0	0	0	113.5	F678 Q680 C682 Q695	F678-G693 WeakPolarHBondContact CB-O 3.43Å; Q680-G693 PolarHBondContact O-N 2.93Å; C682-G693 PolarHBondContact SG-N 2.76Å; C682-G693 VanDerWaalsContact SG-N 3.42Å; G693-Q695 PolarHBondContact O-N 2.77Å
694	L	93.2	Very high	87.4	Confident	24 Å²	24	65.1 Å²	65.1	13%	0.126	37%	0.367	C	S	.	.			trans	-71.4	125.8	-174.1	-70.6	167.4	0	0	0	111.5	C676 F678 V724 C729 N732 C735 W737	C676-L694 HydrophobicContact CB-CB 4.23Å; C676-L694 HydrophobicContact CB-CD2 3.79Å; F678-L694 HydrophobicContact CD1-CD2 3.41Å; F678-L694 VanDerWaalsContact CD1-CD2 3.41Å; F678-L694 HydrophobicContact CD1-CG 4.38Å; F678-L694 HydrophobicContact CE1-CD2 3.85Å; F678-L694 HydrophobicContact CG-CD2 4.22Å; L694-V724 HydrophobicContact CD2-CG1 3.47Å; L694-V724 VanDerWaalsContact CD2-CG1 3.47Å; L694-C729 HydrophobicContact CB-CB 4.14Å; L694-C729 WeakPolarHBondContact CB-O 3.5Å; L694-N732 HydrophobicContact CD1-CB 4Å; L694-C735 VanDerWaalsContact CD1-SG 3.51Å; L694-W737 HydrophobicContact CD1-CH2 4.4Å; L694-W737 HydrophobicContact CD1-CZ2 4.11Å; L694-W737 HydrophobicContact CD2-CH2 4.3Å
695	Q	93.3	Very high	86.8	Confident	83 Å²	83	64.7 Å²	64.7	39%	0.388	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	142.3	176.8	-60.4	-58.9	-37	0	0	110.2	C676 G677 C692 G693 I697	C676-Q695 CarbonylContact C-O 3.46Å; C676-Q695 VanDerWaalsContact CA-O 3.26Å; C676-Q695 WeakPolarHBondContact CA-O 3.39Å; G677-Q695 PolarHBondContact N-O 3.47Å; G677-Q695 PolarHBondContact O-N 2.75Å; C692-Q695 PolarHBondContact O-NE2 2.78Å; G693-Q695 PolarHBondContact O-N 2.77Å; Q695-I697 PolarHBondContact O-N 2.79Å
696	P	92.4	Very high	85.9	Confident	89 Å²	89	63.4 Å²	63.4	58%	0.578	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65	133.3	175.9	27.6	-33	0	0	0	110.9	T674 C729	T674-P696 HydrophobicContact CG2-CB 4.31Å; P696-C729 WeakPolarHBondContact CA-SG 3.49Å
697	I	89.8	Confident	84.8	Confident	24 Å²	24	68.6 Å²	68.6	12%	0.123	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-95.1	138.7	173.9	-59.2	174.5	0	0	0	108.6	A675 Q695 Y701 I702 I723	A675-I697 HydrophobicContact CB-CB 4.27Å; A675-I697 HydrophobicContact CB-CD1 4.44Å; A675-I697 WeakPolarHBondContact O-CB 3.49Å; A675-I697 PolarHBondContact O-N 3.42Å; Q695-I697 PolarHBondContact O-N 2.79Å; I697-Y701 HydrophobicContact CG2-CD1 3.36Å; I697-Y701 HydrophobicContact CG2-CE1 4.15Å; I697-Y701 HydrophobicContact CG2-CG 4.03Å; I697-I702 HydrophobicContact CB-CD1 4.32Å; I697-I702 HydrophobicContact CB-CG1 4.5Å; I697-I702 HydrophobicContact CD1-CD1 4.34Å; I697-I702 HydrophobicContact CG2-CD1 3.75Å; I697-I702 HydrophobicContact CG2-CG1 3.92Å; I697-I723 HydrophobicContact CD1-CB 4.12Å; I697-I723 HydrophobicContact CD1-CD1 3.8Å; I697-I723 HydrophobicContact CD1-CG1 3.62Å; I697-I723 HydrophobicContact CD1-CG2 3.54Å
698	S	85.9	Confident	83.4	Confident	70 Å²	70	73.5 Å²	73.5	49%	0.49	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-63	144.5	176.5	61.1	0	0	0	0	111.8	D700 Y701 I702	S698-D700 PolarHBondContact O-N 3.35Å; S698-Y701 PolarHBondContact O-N 2.88Å; S698-Y701 WeakPolarHBondContact OG-CB 3.49Å; S698-Y701 PolarHBondContact OG-N 2.63Å; S698-I702 PolarHBondContact O-N 3.5Å
699	S	80.4	Confident	82.3	Confident	88 Å²	88	78.1 Å²	78.1	62%	0.615	43%	0.432	S	S	*	.	H	α-helix	trans	-54.3	-41.2	174.3	45.1	0	0	0	0	112	Y701 I702 E703	S699-Y701 VanDerWaalsContact C-N 3.31Å; S699-Y701 PolarHBondContact O-N 3.15Å; S699-I702 PolarHBondContact O-N 3.23Å; S699-I702 VanDerWaalsContact O-N 3.13Å; S699-E703 PolarHBondContact O-N 3.22Å
700	D	81.8	Confident	81.6	Confident	116 Å²	116	70.5 Å²	70.5	62%	0.62	40%	0.397	S	S	*	.	H	α-helix	trans	-64.6	-37.1	-176.1	-52.9	-6.5	0	0	0	111.4	S698 E703 A704	S698-D700 PolarHBondContact O-N 3.35Å; D700-E703 PolarHBondContact O-N 2.81Å; D700-A704 WeakPolarHBondContact O-CB 2.87Å; D700-A704 PolarHBondContact O-N 2.82Å
701	Y	83.7	Confident	81.3	Confident	35 Å²	35	74.3 Å²	74.3	14%	0.137	42%	0.415	C	S	.	.	H	α-helix	trans	-67.8	-42.5	174.8	177.8	-92.5	0	0	0	111.3	I697 S698 S699 E703 A704 I705 I723	I697-Y701 HydrophobicContact CG2-CD1 3.36Å; I697-Y701 HydrophobicContact CG2-CE1 4.15Å; I697-Y701 HydrophobicContact CG2-CG 4.03Å; S698-Y701 PolarHBondContact O-N 2.88Å; S698-Y701 WeakPolarHBondContact OG-CB 3.49Å; S698-Y701 PolarHBondContact OG-N 2.63Å; S699-Y701 VanDerWaalsContact C-N 3.31Å; S699-Y701 PolarHBondContact O-N 3.15Å; Y701-E703 VanDerWaalsContact C-N 3.31Å; Y701-E703 PolarHBondContact O-N 2.84Å; Y701-A704 PolarHBondContact O-N 2.82Å; Y701-I705 HydrophobicContact CD1-CD1 4.34Å; Y701-I705 HydrophobicContact CD1-CG2 4.38Å; Y701-I705 HydrophobicContact CE1-CD1 3.96Å; Y701-I705 HydrophobicContact CE1-CG2 3.94Å; Y701-I705 HydrophobicContact CE2-CG2 4.13Å; Y701-I705 WeakPolarHBondContact O-CG1 3.46Å; Y701-I705 PolarHBondContact O-N 2.73Å; Y701-I723 HydrophobicContact CE1-CD1 4.07Å
702	I	81.1	Confident	81.2	Confident	13 Å²	13	72.1 Å²	72.1	7%	0.067	40%	0.403	C	S	.	.	H	α-helix	trans	-62.4	-40.8	176.5	-61.9	-60.1	0	0	0	111	A675 I697 S698 S699 I705 S706 I723 Y977 F978	A675-I702 HydrophobicContact CB-CD1 3.49Å; A675-I702 VanDerWaalsContact CB-CD1 3.49Å; A675-I702 HydrophobicContact CB-CG1 3.71Å; I697-I702 HydrophobicContact CB-CD1 4.32Å; I697-I702 HydrophobicContact CB-CG1 4.5Å; I697-I702 HydrophobicContact CD1-CD1 4.34Å; I697-I702 HydrophobicContact CG2-CD1 3.75Å; I697-I702 HydrophobicContact CG2-CG1 3.92Å; S698-I702 PolarHBondContact O-N 3.5Å; S699-I702 PolarHBondContact O-N 3.23Å; S699-I702 VanDerWaalsContact O-N 3.13Å; I702-I705 HydrophobicContact CD1-CD1 4.03Å; I702-I705 VanDerWaalsContact O-CG1 3.31Å; I702-I705 WeakPolarHBondContact O-CG1 3.49Å; I702-I705 PolarHBondContact O-N 2.85Å; I702-S706 WeakPolarHBondContact O-CB 3.31Å; I702-S706 PolarHBondContact O-N 3.39Å; I702-S706 VanDerWaalsContact O-N 3.13Å; I702-I723 HydrophobicContact CD1-CD1 4.49Å; I702-I723 HydrophobicContact CD1-CG2 4.5Å; I702-Y977 HydrophobicContact CG2-CD1 4.33Å; I702-F978 HydrophobicContact CD1-CE1 4.49Å
703	E	78.3	Confident	81.1	Confident	126 Å²	126	70.5 Å²	70.5	59%	0.589	39%	0.392	S	S	*	.	H	α-helix	trans	-63.8	-44.9	175.3	-170.9	170.6	-172.7	0	0	111.2	S699 D700 Y701 I705 S706 Q707	S699-E703 PolarHBondContact O-N 3.22Å; D700-E703 PolarHBondContact O-N 2.81Å; Y701-E703 VanDerWaalsContact C-N 3.31Å; Y701-E703 PolarHBondContact O-N 2.84Å; E703-I705 PolarHBondContact O-N 3Å; E703-S706 PolarHBondContact O-N 2.92Å; E703-S706 VanDerWaalsContact O-N 3.11Å; E703-S706 PolarHBondContact O-OG 2.98Å; E703-Q707 PolarHBondContact O-N 2.94Å
704	A	78.7	Confident	81	Confident	47 Å²	47	74.9 Å²	74.9	39%	0.388	42%	0.417	S	S	.	.	H	α-helix	trans	-59.1	-44.7	177.2	0	0	0	0	0	112.8	D700 Y701 S706 Q707	D700-A704 WeakPolarHBondContact O-CB 2.87Å; D700-A704 PolarHBondContact O-N 2.82Å; Y701-A704 PolarHBondContact O-N 2.82Å; A704-S706 PolarHBondContact O-N 3.18Å; A704-Q707 PolarHBondContact O-N 3.34Å
705	I	77.4	Confident	80.9	Confident	5 Å²	5	75 Å²	75	3%	0.026	42%	0.42	C	S	.	.	H	α-helix	trans	-76.9	-8.3	178.5	67.9	171.3	0	0	0	113.9	Y701 I702 E703 I710 I723 Q743	Y701-I705 HydrophobicContact CD1-CD1 4.34Å; Y701-I705 HydrophobicContact CD1-CG2 4.38Å; Y701-I705 HydrophobicContact CE1-CD1 3.96Å; Y701-I705 HydrophobicContact CE1-CG2 3.94Å; Y701-I705 HydrophobicContact CE2-CG2 4.13Å; Y701-I705 WeakPolarHBondContact O-CG1 3.46Å; Y701-I705 PolarHBondContact O-N 2.73Å; I702-I705 HydrophobicContact CD1-CD1 4.03Å; I702-I705 VanDerWaalsContact O-CG1 3.31Å; I702-I705 WeakPolarHBondContact O-CG1 3.49Å; I702-I705 PolarHBondContact O-N 2.85Å; E703-I705 PolarHBondContact O-N 3Å; I705-I710 VanDerWaalsContact C-CD1 3.42Å; I705-I710 VanDerWaalsContact CA-CD1 3.47Å; I705-I710 HydrophobicContact CB-CD1 4.31Å; I705-I710 WeakPolarHBondContact O-CD1 3.11Å; I705-I723 HydrophobicContact CD1-CD1 3.8Å; I705-Q743 HydrophobicContact CD1-CG 3.86Å; I705-Q743 HydrophobicContact CG2-CG 4.33Å
706	S	70.5	Confident	80.8	Confident	46 Å²	46	71.2 Å²	71.2	32%	0.322	40%	0.404	S	S	.	.	H	α-helix	trans	-88.9	-11.2	175.2	76.5	0	0	0	0	112.9	I702 E703 A704	I702-S706 WeakPolarHBondContact O-CB 3.31Å; I702-S706 PolarHBondContact O-N 3.39Å; I702-S706 VanDerWaalsContact O-N 3.13Å; E703-S706 PolarHBondContact O-N 2.92Å; E703-S706 VanDerWaalsContact O-N 3.11Å; E703-S706 PolarHBondContact O-OG 2.98Å; A704-S706 PolarHBondContact O-N 3.18Å
707	Q	69.3	Low	80.9	Confident	113 Å²	113	69.6 Å²	69.6	53%	0.528	39%	0.39	S	S	.	.	S	Bend	trans	-68.9	137.9	-178.4	-64.6	-170.7	-1.9	0	0	111.5	E703 A704 K709 I710	E703-Q707 PolarHBondContact O-N 2.94Å; A704-Q707 PolarHBondContact O-N 3.34Å; Q707-K709 PolarHBondContact O-N 2.91Å; Q707-K709 VanDerWaalsContact O-N 3.11Å; Q707-I710 WeakPolarHBondContact O-CD1 3.45Å; Q707-I710 WeakPolarHBondContact O-CG1 3.48Å
708	P	60.6	Low	81	Confident	136 Å²	136	70 Å²	70	88%	0.883	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-8.2	-177.2	25	-32.7	0	0	0	114.7
709	K	63.6	Low	81.3	Confident	193 Å²	193	74.3 Å²	74.3	84%	0.839	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	43.6	-177.3	-69.6	-174	178.6	-179.5	0	112.7	Q707	Q707-K709 PolarHBondContact O-N 2.91Å; Q707-K709 VanDerWaalsContact O-N 3.11Å
710	I	73.4	Confident	81.8	Confident	38 Å²	38	70.3 Å²	70.3	20%	0.195	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-80.4	130.7	170.9	-66.3	163.2	0	0	0	108.5	I705 Q707 Q748	I705-I710 VanDerWaalsContact C-CD1 3.42Å; I705-I710 VanDerWaalsContact CA-CD1 3.47Å; I705-I710 HydrophobicContact CB-CD1 4.31Å; I705-I710 WeakPolarHBondContact O-CD1 3.11Å; Q707-I710 WeakPolarHBondContact O-CD1 3.45Å; Q707-I710 WeakPolarHBondContact O-CG1 3.48Å; I710-Q748 HydrophobicContact CG2-CB 3.89Å
711	E	82.8	Confident	82.3	Confident	160 Å²	160	66.2 Å²	66.2	75%	0.748	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-65.1	150.5	178.6	-65.2	-176	171.8	0	0	111.5	C713 C747 Q748	E711-C713 PolarHBondContact O-N 3.46Å; E711-C747 WeakPolarHBondContact O-CA 3.18Å; E711-Q748 PolarHBondContact O-N 3.31Å
712	S	85.8	Confident	82.8	Confident	56 Å²	56	64.7 Å²	64.7	39%	0.392	35%	0.347	S	S	.	.	B	Isolated β-bridge	trans	-62.3	134.4	171.5	168.1	0	0	0	0	109	Q748 R1014	S712-Q748 CarbonylContact C-O 3.57Å; S712-Q748 VanDerWaalsContact CA-O 3.3Å; S712-Q748 WeakPolarHBondContact CA-O 3.13Å; S712-R1014 PolarHBondContact OG-NH2 3.48Å
713	C	90.2	Very high	83.3	Confident	2 Å²	2	64 Å²	64	1%	0.014	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-54.1	140.9	175.2	-66.3	0	0	0	0	111.1	E711 C747 Q748 H749 R1014	E711-C713 PolarHBondContact O-N 3.46Å; C713-C747 WeakPolarHBondContact CA-SG 3.46Å; C713-C747 HydrophobicContact CB-CB 3.88Å; C713-C747 WeakPolarHBondContact CB-SG 3.49Å; C713-C747 WeakPolarHBondContact SG-CB 3.37Å; C713-C747 CovalentContact SG-SG 2.04Å; C713-C747 PolarHBondContact SG-SG 2.75Å; C713-Q748 PolarHBondContact N-O 3.39Å; C713-Q748 PolarHBondContact SG-N 3Å; C713-H749 WeakPolarHBondContact CB-CE1 3.1Å; C713-R1014 PolarHBondContact O-NH1 2.87Å
714	P	88.9	Confident	83.7	Confident	108 Å²	108	58 Å²	58	70%	0.701	32%	0.316	S	S	*	.	S	Bend	trans	-72.5	-32	-177	27.8	-34.6	0	0	0	112.4
715	S	91.6	Very high	84.1	Confident	26 Å²	26	55.9 Å²	55.9	18%	0.182	30%	0.298	C	S	.	.	S	Bend	trans	-148.6	157.6	-178	178	0	0	0	0	111	D717 T718 H749 E925 V926	S715-D717 VanDerWaalsContact C-N 3.26Å; S715-D717 WeakPolarHBondContact CB-OD1 3.37Å; S715-D717 PolarHBondContact O-N 3.37Å; S715-D717 PolarHBondContact OG-OD1 3.13Å; S715-T718 PolarHBondContact O-N 2.8Å; S715-T718 PolarHBondContact O-OG1 3.29Å; S715-H749 PolarHBondContact O-CE1 3.1Å; S715-E925 WeakPolarHBondContact CA-OE1 3.46Å; S715-V926 WeakPolarHBondContact OG-CG2 3.38Å
716	G	91.4	Very high	84.5	Confident	5 Å²	5	55.7 Å²	55.7	5%	0.052	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	0.8	179.4	0	0	0	0	0	116.2	E925 V926 D928	G716-E925 PolarHBondContact N-OE1 3.23Å; G716-V926 CarbonylContact C-O 3.58Å; G716-V926 WeakPolarHBondContact CA-O 3.39Å; G716-D928 PolarHBondContact O-N 3.18Å
717	D	93.3	Very high	85.2	Confident	54 Å²	54	55.5 Å²	55.5	29%	0.289	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	12.6	168.8	67.4	-32.1	0	0	0	113	S715 K719 L916 V926 D928	S715-D717 VanDerWaalsContact C-N 3.26Å; S715-D717 WeakPolarHBondContact CB-OD1 3.37Å; S715-D717 PolarHBondContact O-N 3.37Å; S715-D717 PolarHBondContact OG-OD1 3.13Å; D717-K719 PolarHBondContact O-N 2.79Å; D717-K719 VanDerWaalsContact O-N 3.16Å; D717-L916 HydrophobicContact CB-CD1 4.49Å; D717-L916 HydrophobicContact CB-CD2 3.62Å; D717-V926 HydrophobicContact CB-CB 4.42Å; D717-V926 HydrophobicContact CB-CG2 3.47Å; D717-V926 VanDerWaalsContact CB-CG2 3.47Å; D717-V926 VanDerWaalsContact CG-CG2 3.47Å; D717-V926 WeakPolarHBondContact OD1-CG2 3.44Å; D717-D928 HydrophobicContact CB-CB 3.95Å
718	T	92.9	Very high	86	Confident	32 Å²	32	52 Å²	52	20%	0.196	28%	0.281	C	S	.	.			trans	-57.7	125.3	177.2	-55.1	0	0	0	0	109.8	S715 G720 P744 C747	S715-T718 PolarHBondContact O-N 2.8Å; S715-T718 PolarHBondContact O-OG1 3.29Å; T718-G720 PolarHBondContact O-N 2.74Å; T718-P744 HydrophobicContact CG2-CB 4.37Å; T718-C747 WeakPolarHBondContact CG2-SG 3.4Å
719	K	91.4	Very high	87.4	Confident	162 Å²	162	46.3 Å²	46.3	70%	0.704	24%	0.244	S	C	*	.			trans	-54.3	139.3	-177.8	-65.9	-173.6	179.2	-176.2	0	110.5	D717 H745	D717-K719 PolarHBondContact O-N 2.79Å; D717-K719 VanDerWaalsContact O-N 3.16Å; K719-H745 PolarHBondContact O-N 2.98Å; K719-H745 PolarHBondContact O-ND1 3.05Å
720	G	91.4	Very high	88.5	Confident	3 Å²	3	41.9 Å²	41.9	3%	0.031	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	-177.2	178.4	0	0	0	0	0	112.4	T718 W742 Q743 H745	T718-G720 PolarHBondContact O-N 2.74Å; G720-W742 VanDerWaalsContact O-CH2 3.23Å; G720-W742 WeakPolarHBondContact O-CH2 3.31Å; G720-Q743 CarbonylContact C-O 3.59Å; G720-Q743 WeakPolarHBondContact CA-O 3.48Å; G720-H745 WeakPolarHBondContact CA-ND1 3.45Å; G720-H745 PolarHBondContact N-ND1 3.02Å
721	Q	92.8	Very high	88.9	Confident	31 Å²	31	40.9 Å²	40.9	15%	0.145	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	155.7	175.7	59	-177.5	-10.8	0	0	111	V679 I723 Q743	V679-Q721 HydrophobicContact CG2-CB 3.66Å; Q721-I723 HydrophobicContact CG-CG1 4.18Å; Q721-Q743 PolarHBondContact N-O 2.83Å; Q721-Q743 PolarHBondContact O-N 3.21Å
722	W	93.2	Very high	88.9	Confident	2 Å²	2	36.4 Å²	36.4	1%	0.008	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	129.1	168.9	-73.2	104.5	0	0	0	109.5	G677 F678 I740 T741 W742 I932 R936 I1003 V1006	G677-W722 CarbonylContact C-O 3.52Å; G677-W722 WeakPolarHBondContact CA-O 3.19Å; F678-W722 HydrophobicContact CD1-CB 3.89Å; F678-W722 HydrophobicContact CE1-CB 3.49Å; F678-W722 VanDerWaalsContact CE1-CB 3.49Å; F678-W722 HydrophobicContact CE1-CG 4.39Å; F678-W722 HydrophobicContact CE2-CB 4.22Å; F678-W722 HydrophobicContact CE2-CG 4.45Å; F678-W722 HydrophobicContact CG-CB 4.43Å; F678-W722 HydrophobicContact CZ-CB 3.66Å; F678-W722 HydrophobicContact CZ-CG 4.09Å; F678-W722 PolarHBondContact N-O 3.47Å; F678-W722 PolarHBondContact O-N 3.43Å; W722-I740 HydrophobicContact CB-CD1 4.19Å; W722-I740 HydrophobicContact CB-CG1 4.45Å; W722-I740 HydrophobicContact CD2-CD1 4.4Å; W722-I740 HydrophobicContact CD2-CG1 4.49Å; W722-I740 HydrophobicContact CE3-CD1 4.1Å; W722-I740 HydrophobicContact CE3-CG1 3.75Å; W722-I740 HydrophobicContact CG-CD1 4.47Å; W722-I740 HydrophobicContact CZ3-CG1 4.44Å; W722-T741 WeakPolarHBondContact CA-O 3.47Å; W722-T741 VanDerWaalsContact CE3-C 3.42Å; W722-W742 AromaticContact CD1-CE3 3.73Å; W722-W742 AromaticContact CD1-CZ3 3.75Å; W722-W742 HydrophobicContact CD2-CB 4.38Å; W722-W742 AromaticContact CD2-CE3 3.77Å; W722-W742 HydrophobicContact CD2-CE3 3.77Å; W722-W742 AromaticContact CE2-CE3 3.64Å; W722-W742 HydrophobicContact CE3-CB 3.93Å; W722-W742 HydrophobicContact CE3-CE3 4.44Å; W722-W742 AromaticContact CG-CE3 3.85Å; W722-W742 HydrophobicContact CG-CE3 3.85Å; W722-W742 HydrophobicContact CG-CZ3 4.24Å; W722-W742 HydrophobicContact CH2-CB 3.93Å; W722-W742 HydrophobicContact CZ2-CB 4.35Å; W722-W742 HydrophobicContact CZ2-CE3 4.25Å; W722-W742 HydrophobicContact CZ3-CB 3.7Å; W722-W742 AromaticContact NE1-CE3 3.59Å; W722-W742 AromaticContact NE1-CZ3 3.79Å; W722-I932 HydrophobicContact CH2-CG2 4.37Å; W722-I932 HydrophobicContact CZ2-CG2 3.62Å; W722-I932 PolarHBondContact NE1-O 3.25Å; W722-R936 HydrophobicContact CD2-CG 4.36Å; W722-R936 HydrophobicContact CG-CG 4.38Å; W722-R936 VanDerWaalsContact CH2-NH1 3.29Å; W722-R936 HydrophobicContact CZ2-CG 4.47Å; W722-I1003 HydrophobicContact CH2-CG1 4.33Å; W722-I1003 HydrophobicContact CZ2-CG1 4.21Å; W722-V1006 HydrophobicContact CH2-CB 4.41Å; W722-V1006 HydrophobicContact CH2-CG2 3.89Å; W722-V1006 HydrophobicContact CZ3-CG2 4.27Å
723	I	91.2	Very high	88.6	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	130.3	175.7	-49.1	179.5	0	0	0	109.3	A675 C676 I697 Y701 I702 I705 Q721 I740 T741 Q743 F978	A675-I723 HydrophobicContact CB-CG2 4.16Å; C676-I723 CarbonylContact O-C 3.58Å; C676-I723 WeakPolarHBondContact O-CA 3.46Å; I697-I723 HydrophobicContact CD1-CB 4.12Å; I697-I723 HydrophobicContact CD1-CD1 3.8Å; I697-I723 HydrophobicContact CD1-CG1 3.62Å; I697-I723 HydrophobicContact CD1-CG2 3.54Å; Y701-I723 HydrophobicContact CE1-CD1 4.07Å; I702-I723 HydrophobicContact CD1-CD1 4.49Å; I702-I723 HydrophobicContact CD1-CG2 4.5Å; I705-I723 HydrophobicContact CD1-CD1 3.8Å; Q721-I723 HydrophobicContact CG-CG1 4.18Å; I723-I740 WeakPolarHBondContact O-CA 3.37Å; I723-T741 PolarHBondContact N-O 3.15Å; I723-T741 PolarHBondContact O-N 3.18Å; I723-Q743 HydrophobicContact CD1-CB 3.56Å; I723-Q743 HydrophobicContact CD1-CG 3.85Å; I723-Q743 HydrophobicContact CG1-CB 4.07Å; I723-F978 HydrophobicContact CB-CE1 4.07Å; I723-F978 HydrophobicContact CG2-CE1 3.44Å; I723-F978 VanDerWaalsContact CG2-CE1 3.44Å; I723-F978 HydrophobicContact CG2-CZ 3.87Å
724	V	88.4	Confident	88.4	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	135.6	177.9	60.4	0	0	0	0	109.8	C676 F678 L694 C735 D736 W737 I740	C676-V724 HydrophobicContact CB-CG1 4.38Å; C676-V724 PolarHBondContact N-O 3.06Å; C676-V724 PolarHBondContact O-N 3.22Å; F678-V724 HydrophobicContact CE1-CG1 4.36Å; L694-V724 HydrophobicContact CD2-CG1 3.47Å; L694-V724 VanDerWaalsContact CD2-CG1 3.47Å; V724-C735 HydrophobicContact CG1-CB 4.32Å; V724-C735 HydrophobicContact CG2-CB 3.77Å; V724-D736 WeakPolarHBondContact CG2-O 3.34Å; V724-W737 HydrophobicContact CG1-CH2 4.4Å; V724-W737 HydrophobicContact CG2-CD2 4.44Å; V724-W737 HydrophobicContact CG2-CE3 4.49Å; V724-I740 HydrophobicContact CB-CB 4.15Å; V724-I740 HydrophobicContact CB-CD1 4.25Å; V724-I740 HydrophobicContact CB-CG1 4.04Å; V724-I740 HydrophobicContact CG2-CB 4.18Å
725	P	86.6	Confident	88.2	Confident	2 Å²	2	32.5 Å²	32.5	1%	0.013	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	130.4	174.4	30.2	-33.6	0	0	0	110.4	F673 C735 D736 E739 V974	F673-P725 HydrophobicContact CB-CB 4.08Å; F673-P725 HydrophobicContact CD2-CB 3.52Å; F673-P725 HydrophobicContact CE2-CB 4.14Å; F673-P725 HydrophobicContact CG-CB 3.87Å; P725-C735 CarbonylContact O-C 3.48Å; P725-C735 VanDerWaalsContact O-CA 3.31Å; P725-C735 WeakPolarHBondContact O-CA 3.34Å; P725-D736 HydrophobicContact CG-CB 4.23Å; P725-D736 PolarHBondContact O-N 3.02Å; P725-E739 HydrophobicContact CG-CB 3.86Å; P725-V974 HydrophobicContact CG-CG1 4.25Å
726	C	86.1	Confident	87.9	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	163.4	179.2	-44	0	0	0	0	111.9	T674 T734 C735	T674-C726 PolarHBondContact N-O 3.31Å; T674-C726 PolarHBondContact O-N 2.74Å; C726-T734 WeakPolarHBondContact CA-O 3.1Å; C726-C735 HydrophobicContact CB-CB 3.93Å; C726-C735 WeakPolarHBondContact CB-SG 3.27Å; C726-C735 VanDerWaalsContact SG-CA 3.59Å; C726-C735 WeakPolarHBondContact SG-CB 3.41Å; C726-C735 CovalentContact SG-SG 2.03Å; C726-C735 PolarHBondContact SG-SG 3.43Å
727	L	84.1	Confident	87.5	Confident	42 Å²	42	32.5 Å²	32.5	22%	0.22	17%	0.174	C	C	.	.	S	Bend	trans	-77.6	-25.3	164.4	-64.6	173.1	0	0	0	112.6	F670 T734	F670-L727 HydrophobicContact CD1-CD1 4.19Å; F670-L727 HydrophobicContact CD1-CD2 3.36Å; F670-L727 HydrophobicContact CD1-CG 3.73Å; F670-L727 HydrophobicContact CE1-CD1 3.52Å; F670-L727 HydrophobicContact CE1-CD2 3.56Å; F670-L727 HydrophobicContact CE1-CG 3.34Å; F670-L727 HydrophobicContact CE2-CG 4.29Å; F670-L727 HydrophobicContact CG-CD2 3.9Å; F670-L727 HydrophobicContact CG-CG 4.34Å; F670-L727 HydrophobicContact CZ-CD1 4.02Å; F670-L727 HydrophobicContact CZ-CD2 4.23Å; F670-L727 HydrophobicContact CZ-CG 3.64Å; L727-T734 HydrophobicContact CB-CG2 4.49Å; L727-T734 PolarHBondContact N-O 2.94Å; L727-T734 VanDerWaalsContact N-O 3.17Å
728	S	86.1	Confident	86.8	Confident	41 Å²	41	33.8 Å²	33.8	29%	0.287	18%	0.175	S	C	.	.			trans	-155.4	135.4	175.5	174.9	0	0	0	0	109.6	S730 D731 T734	S728-S730 PolarHBondContact O-N 3.37Å; S728-S730 PolarHBondContact OG-N 2.79Å; S728-S730 VanDerWaalsContact OG-N 3.15Å; S728-D731 PolarHBondContact O-N 2.84Å; S728-T734 PolarHBondContact N-OG1 3.19Å; S728-T734 PolarHBondContact O-OG1 2.81Å
729	C	89.9	Confident	86.1	Confident	15 Å²	15	32.7 Å²	32.7	10%	0.101	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-12.6	174.2	-52.1	0	0	0	0	112.5	C676 L694 P696 D731	C676-C729 VanDerWaalsContact CA-SG 3.59Å; C676-C729 HydrophobicContact CB-CB 3.82Å; C676-C729 WeakPolarHBondContact CB-SG 3.29Å; C676-C729 WeakPolarHBondContact SG-CA 3.4Å; C676-C729 WeakPolarHBondContact SG-CB 3.2Å; C676-C729 CovalentContact SG-SG 2.03Å; C676-C729 PolarHBondContact SG-SG 3.24Å; L694-C729 HydrophobicContact CB-CB 4.14Å; L694-C729 WeakPolarHBondContact CB-O 3.5Å; P696-C729 WeakPolarHBondContact CA-SG 3.49Å; C729-D731 VanDerWaalsContact C-N 3.31Å
730	S	86.7	Confident	85.9	Confident	101 Å²	101	26 Å²	26	71%	0.706	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-3.4	176.9	-46.4	0	0	0	0	113.8	R316 S728	R316-S730 PolarHBondContact NH2-O 2.88Å; R316-S730 VanDerWaalsContact NH2-O 3.09Å; S728-S730 PolarHBondContact O-N 3.37Å; S728-S730 PolarHBondContact OG-N 2.79Å; S728-S730 VanDerWaalsContact OG-N 3.15Å
731	D	82.4	Confident	85.7	Confident	17 Å²	17	26.4 Å²	26.4	9%	0.091	14%	0.141	C	C	.	.			trans	-136.8	108	176.7	-159	-36.8	0	0	0	111.1	R316 S728 C729 R733 T734	R316-D731 IonicContact CZ-OD2 3.12Å; R316-D731 IonicContact NE-OD2 3.18Å; R316-D731 PolarHBondContact NE-OD2 3.22Å; R316-D731 VanDerWaalsContact NE-OD2 3.11Å; R316-D731 IonicContact NH2-OD2 3.89Å; R316-D731 PolarHBondContact NH2-OD2 3.16Å; S728-D731 PolarHBondContact O-N 2.84Å; C729-D731 VanDerWaalsContact C-N 3.31Å; D731-R733 PolarHBondContact O-N 2.76Å; D731-R733 VanDerWaalsContact OD1-CB 3.3Å; D731-R733 WeakPolarHBondContact OD1-CB 3.26Å; D731-R733 IonicContact OD1-CZ 3.2Å; D731-R733 PolarHBondContact OD1-N 3.34Å; D731-R733 IonicContact OD1-NE 3.54Å; D731-R733 PolarHBondContact OD1-NE 2.98Å; D731-R733 VanDerWaalsContact OD1-NE 3.11Å; D731-R733 IonicContact OD1-NH2 2.79Å; D731-R733 IonicContact OD2-CZ 3.62Å; D731-R733 IonicContact OD2-NE 3.1Å; D731-R733 IonicContact OD2-NH2 3.24Å; D731-R733 PolarHBondContact OD2-NH2 2.88Å; D731-T734 HydrophobicContact CB-CG2 3.71Å; D731-T734 PolarHBondContact O-N 2.8Å; D731-T734 PolarHBondContact O-OG1 2.8Å
732	N	82.5	Confident	85.6	Confident	65 Å²	65	26 Å²	26	35%	0.348	14%	0.138	S	C	.	.	G	3₁₀ helix	trans	-59.9	-26.6	177.9	64.4	2.6	0	0	0	112.8	L694 T734 C735 W737	L694-N732 HydrophobicContact CD1-CB 4Å; N732-T734 PolarHBondContact O-N 3.03Å; N732-C735 WeakPolarHBondContact O-CB 3.4Å; N732-C735 PolarHBondContact O-N 2.88Å; N732-W737 HydrophobicContact CB-CZ2 3.81Å; N732-W737 PolarHBondContact O-NE1 2.82Å
733	R	80.4	Confident	85.4	Confident	60 Å²	60	26.2 Å²	26.2	23%	0.226	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-73.1	-17.1	179.6	-57.2	171.3	-63.9	163.5	13.6	112.2	E312 T313 P665 L667 D731 C735	E312-R733 PolarHBondContact O-NH1 2.9Å; T313-R733 PolarHBondContact O-NH1 3.09Å; T313-R733 PolarHBondContact O-NH2 3.17Å; P665-R733 HydrophobicContact CG-CB 4.41Å; P665-R733 HydrophobicContact CG-CG 3.99Å; L667-R733 WeakPolarHBondContact CG-O 3.27Å; D731-R733 PolarHBondContact O-N 2.76Å; D731-R733 VanDerWaalsContact OD1-CB 3.3Å; D731-R733 WeakPolarHBondContact OD1-CB 3.26Å; D731-R733 IonicContact OD1-CZ 3.2Å; D731-R733 PolarHBondContact OD1-N 3.34Å; D731-R733 IonicContact OD1-NE 3.54Å; D731-R733 PolarHBondContact OD1-NE 2.98Å; D731-R733 VanDerWaalsContact OD1-NE 3.11Å; D731-R733 IonicContact OD1-NH2 2.79Å; D731-R733 IonicContact OD2-CZ 3.62Å; D731-R733 IonicContact OD2-NE 3.1Å; D731-R733 IonicContact OD2-NH2 3.24Å; D731-R733 PolarHBondContact OD2-NH2 2.88Å; R733-C735 PolarHBondContact O-N 3.16Å
734	T	84.3	Confident	85.4	Confident	25 Å²	25	26.4 Å²	26.4	15%	0.153	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-84.7	-0.2	177.8	72	0	0	0	0	113.8	F670 C726 L727 S728 D731 N732	F670-T734 WeakPolarHBondContact CE2-O 3.44Å; F670-T734 VanDerWaalsContact CZ-O 3.29Å; F670-T734 WeakPolarHBondContact CZ-O 3.47Å; C726-T734 WeakPolarHBondContact CA-O 3.1Å; L727-T734 HydrophobicContact CB-CG2 4.49Å; L727-T734 PolarHBondContact N-O 2.94Å; L727-T734 VanDerWaalsContact N-O 3.17Å; S728-T734 PolarHBondContact N-OG1 3.19Å; S728-T734 PolarHBondContact O-OG1 2.81Å; D731-T734 HydrophobicContact CB-CG2 3.71Å; D731-T734 PolarHBondContact O-N 2.8Å; D731-T734 PolarHBondContact O-OG1 2.8Å; N732-T734 PolarHBondContact O-N 3.03Å
735	C	85.1	Confident	85.4	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-91.3	146.9	-177.6	-57.9	0	0	0	0	111.8	L667 L694 V724 P725 C726 N732 R733 W737	L667-C735 PolarHBondContact N-O 3.49Å; L694-C735 VanDerWaalsContact CD1-SG 3.51Å; V724-C735 HydrophobicContact CG1-CB 4.32Å; V724-C735 HydrophobicContact CG2-CB 3.77Å; P725-C735 CarbonylContact O-C 3.48Å; P725-C735 VanDerWaalsContact O-CA 3.31Å; P725-C735 WeakPolarHBondContact O-CA 3.34Å; C726-C735 HydrophobicContact CB-CB 3.93Å; C726-C735 WeakPolarHBondContact CB-SG 3.27Å; C726-C735 VanDerWaalsContact SG-CA 3.59Å; C726-C735 WeakPolarHBondContact SG-CB 3.41Å; C726-C735 CovalentContact SG-SG 2.03Å; C726-C735 PolarHBondContact SG-SG 3.43Å; N732-C735 WeakPolarHBondContact O-CB 3.4Å; N732-C735 PolarHBondContact O-N 2.88Å; R733-C735 PolarHBondContact O-N 3.16Å; C735-W737 HydrophobicContact CB-CD2 4.48Å; C735-W737 HydrophobicContact CB-CZ2 4.24Å; C735-W737 PolarHBondContact O-N 3.09Å
736	D	85.4	Confident	85.2	Confident	12 Å²	12	35.9 Å²	35.9	6%	0.064	19%	0.189	C	C	.	.			trans	-88.9	84.3	166.4	-164.7	-14.9	0	0	0	109.6	V724 P725 R738 E739	V724-D736 WeakPolarHBondContact CG2-O 3.34Å; P725-D736 HydrophobicContact CG-CB 4.23Å; P725-D736 PolarHBondContact O-N 3.02Å; D736-R738 PolarHBondContact O-N 2.93Å; D736-R738 VanDerWaalsContact OD1-CB 3.31Å; D736-R738 WeakPolarHBondContact OD1-CB 3.32Å; D736-R738 IonicContact OD1-CZ 3.5Å; D736-R738 PolarHBondContact OD1-N 2.79Å; D736-R738 IonicContact OD1-NE 3.95Å; D736-R738 PolarHBondContact OD1-NE 3.12Å; D736-R738 IonicContact OD1-NH2 2.79Å; D736-R738 PolarHBondContact OD1-NH2 3.46Å; D736-R738 VanDerWaalsContact OD1-NH2 3.12Å; D736-R738 IonicContact OD2-CZ 3.45Å; D736-R738 IonicContact OD2-NE 2.7Å; D736-R738 IonicContact OD2-NH2 3.82Å; D736-R738 PolarHBondContact OD2-NH2 2.95Å; D736-E739 HydrophobicContact CB-CB 4.38Å; D736-E739 HydrophobicContact CB-CG 4.11Å; D736-E739 PolarHBondContact O-N 2.83Å
737	W	83.9	Confident	85.3	Confident	18 Å²	18	36.3 Å²	36.3	7%	0.068	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-10.6	179.6	-64	91.7	0	0	0	113.8	R664 P665 S666 F678 L694 V724 N732 C735 E739 I740	R664-W737 HydrophobicContact CB-CB 4.05Å; R664-W737 HydrophobicContact CB-CD2 4.17Å; R664-W737 HydrophobicContact CB-CG 3.71Å; R664-W737 HydrophobicContact CG-CD2 4.35Å; R664-W737 HydrophobicContact CG-CG 4.39Å; R664-W737 VanDerWaalsContact NH1-CH2 3.33Å; P665-W737 VanDerWaalsContact O-CD1 3.25Å; S666-W737 WeakPolarHBondContact OG-CB 3.19Å; S666-W737 PolarHBondContact OG-N 3.11Å; F678-W737 AromaticContact CE1-CH2 3.95Å; F678-W737 HydrophobicContact CE1-CH2 3.95Å; F678-W737 AromaticContact CE1-CZ3 3.83Å; F678-W737 HydrophobicContact CE1-CZ3 3.83Å; F678-W737 AromaticContact CZ-CH2 4Å; F678-W737 HydrophobicContact CZ-CH2 4Å; F678-W737 AromaticContact CZ-CZ3 3.69Å; F678-W737 HydrophobicContact CZ-CZ3 3.69Å; L694-W737 HydrophobicContact CD1-CH2 4.4Å; L694-W737 HydrophobicContact CD1-CZ2 4.11Å; L694-W737 HydrophobicContact CD2-CH2 4.3Å; V724-W737 HydrophobicContact CG1-CH2 4.4Å; V724-W737 HydrophobicContact CG2-CD2 4.44Å; V724-W737 HydrophobicContact CG2-CE3 4.49Å; N732-W737 HydrophobicContact CB-CZ2 3.81Å; N732-W737 PolarHBondContact O-NE1 2.82Å; C735-W737 HydrophobicContact CB-CD2 4.48Å; C735-W737 HydrophobicContact CB-CZ2 4.24Å; C735-W737 PolarHBondContact O-N 3.09Å; W737-E739 PolarHBondContact O-N 2.87Å; W737-I740 HydrophobicContact CE3-CD1 3.55Å; W737-I740 HydrophobicContact CZ3-CD1 3.48Å; W737-I740 VanDerWaalsContact CZ3-CD1 3.48Å; W737-I740 WeakPolarHBondContact O-CG2 3.29Å
738	R	78.7	Confident	85.4	Confident	82 Å²	82	35.6 Å²	35.6	31%	0.309	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-13.4	172.9	-50.2	167.1	-62.9	-158.6	-6.5	112.3	L667 D736 R968	L667-R738 PolarHBondContact O-NH2 3.29Å; D736-R738 PolarHBondContact O-N 2.93Å; D736-R738 VanDerWaalsContact OD1-CB 3.31Å; D736-R738 WeakPolarHBondContact OD1-CB 3.32Å; D736-R738 IonicContact OD1-CZ 3.5Å; D736-R738 PolarHBondContact OD1-N 2.79Å; D736-R738 IonicContact OD1-NE 3.95Å; D736-R738 PolarHBondContact OD1-NE 3.12Å; D736-R738 IonicContact OD1-NH2 2.79Å; D736-R738 PolarHBondContact OD1-NH2 3.46Å; D736-R738 VanDerWaalsContact OD1-NH2 3.12Å; D736-R738 IonicContact OD2-CZ 3.45Å; D736-R738 IonicContact OD2-NE 2.7Å; D736-R738 IonicContact OD2-NH2 3.82Å; D736-R738 PolarHBondContact OD2-NH2 2.95Å; R738-R968 PolarHBondContact O-NH2 3.4Å
739	E	77.8	Confident	85.5	Confident	8 Å²	8	34.4 Å²	34.4	4%	0.037	18%	0.177	C	C	.	.	S	Bend	trans	-108.9	2.2	-178.6	-57.8	-66.8	128.2	0	0	112.5	P725 D736 W737 R968 H972 V974 R986	P725-E739 HydrophobicContact CG-CB 3.86Å; D736-E739 HydrophobicContact CB-CB 4.38Å; D736-E739 HydrophobicContact CB-CG 4.11Å; D736-E739 PolarHBondContact O-N 2.83Å; W737-E739 PolarHBondContact O-N 2.87Å; E739-R968 IonicContact OE1-CZ 3.94Å; E739-R968 IonicContact OE1-NH2 2.92Å; E739-R968 PolarHBondContact OE1-NH2 3.25Å; E739-H972 IonicContact OE1-CE1 2.93Å; E739-H972 IonicContact OE2-CE1 3.6Å; E739-H972 IonicContact OE2-NE2 3.88Å; E739-V974 HydrophobicContact CB-CG1 4.26Å; E739-V974 HydrophobicContact CG-CG1 4.48Å; E739-R986 IonicContact OE1-CZ 2.82Å; E739-R986 IonicContact OE1-NH1 3.67Å; E739-R986 PolarHBondContact OE1-NH1 3.47Å; E739-R986 IonicContact OE1-NH2 3.15Å; E739-R986 PolarHBondContact OE1-NH2 3.21Å; E739-R986 IonicContact OE2-CZ 3.53Å; E739-R986 IonicContact OE2-NH1 3.83Å; E739-R986 PolarHBondContact OE2-NH1 3.36Å; E739-R986 IonicContact OE2-NH2 2.81Å; E739-R986 PolarHBondContact OE2-NH2 3.47Å
740	I	86.6	Confident	85.2	Confident	23 Å²	23	37.4 Å²	37.4	12%	0.118	19%	0.192	C	C	.	.			trans	-59.1	139.5	177.9	-170.2	164.3	0	0	0	111.9	F678 W722 I723 V724 W737	F678-I740 HydrophobicContact CE1-CD1 3.89Å; F678-I740 HydrophobicContact CZ-CD1 3.91Å; W722-I740 HydrophobicContact CB-CD1 4.19Å; W722-I740 HydrophobicContact CB-CG1 4.45Å; W722-I740 HydrophobicContact CD2-CD1 4.4Å; W722-I740 HydrophobicContact CD2-CG1 4.49Å; W722-I740 HydrophobicContact CE3-CD1 4.1Å; W722-I740 HydrophobicContact CE3-CG1 3.75Å; W722-I740 HydrophobicContact CG-CD1 4.47Å; W722-I740 HydrophobicContact CZ3-CG1 4.44Å; I723-I740 WeakPolarHBondContact O-CA 3.37Å; V724-I740 HydrophobicContact CB-CB 4.15Å; V724-I740 HydrophobicContact CB-CD1 4.25Å; V724-I740 HydrophobicContact CB-CG1 4.04Å; V724-I740 HydrophobicContact CG2-CB 4.18Å; W737-I740 HydrophobicContact CE3-CD1 3.55Å; W737-I740 HydrophobicContact CZ3-CD1 3.48Å; W737-I740 VanDerWaalsContact CZ3-CD1 3.48Å; W737-I740 WeakPolarHBondContact O-CG2 3.29Å
741	T	87.2	Confident	85.1	Confident	10 Å²	10	33.1 Å²	33.1	6%	0.061	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	150.4	178.5	-166.6	0	0	0	0	111.9	W722 I723 F978 N982	W722-T741 WeakPolarHBondContact CA-O 3.47Å; W722-T741 VanDerWaalsContact CE3-C 3.42Å; I723-T741 PolarHBondContact N-O 3.15Å; I723-T741 PolarHBondContact O-N 3.18Å; T741-F978 HydrophobicContact CG2-CD1 3.93Å; T741-F978 HydrophobicContact CG2-CG 4.47Å; T741-N982 PolarHBondContact OG1-OD1 3.15Å
742	W	91.3	Very high	85.3	Confident	22 Å²	22	33.7 Å²	33.7	8%	0.083	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	122.9	173.1	176.5	-102.5	0	0	0	109	G720 W722 T931 I932 V1006	G720-W742 VanDerWaalsContact O-CH2 3.23Å; G720-W742 WeakPolarHBondContact O-CH2 3.31Å; W722-W742 AromaticContact CD1-CE3 3.73Å; W722-W742 AromaticContact CD1-CZ3 3.75Å; W722-W742 HydrophobicContact CD2-CB 4.38Å; W722-W742 AromaticContact CD2-CE3 3.77Å; W722-W742 HydrophobicContact CD2-CE3 3.77Å; W722-W742 AromaticContact CE2-CE3 3.64Å; W722-W742 HydrophobicContact CE3-CB 3.93Å; W722-W742 HydrophobicContact CE3-CE3 4.44Å; W722-W742 AromaticContact CG-CE3 3.85Å; W722-W742 HydrophobicContact CG-CE3 3.85Å; W722-W742 HydrophobicContact CG-CZ3 4.24Å; W722-W742 HydrophobicContact CH2-CB 3.93Å; W722-W742 HydrophobicContact CZ2-CB 4.35Å; W722-W742 HydrophobicContact CZ2-CE3 4.25Å; W722-W742 HydrophobicContact CZ3-CB 3.7Å; W722-W742 AromaticContact NE1-CE3 3.59Å; W722-W742 AromaticContact NE1-CZ3 3.79Å; W742-T931 HydrophobicContact CH2-CG2 3.81Å; W742-T931 HydrophobicContact CZ2-CG2 4.29Å; W742-I932 HydrophobicContact CD2-CG1 4.11Å; W742-I932 HydrophobicContact CH2-CG1 4.49Å; W742-I932 HydrophobicContact CZ2-CG1 3.99Å; W742-V1006 HydrophobicContact CB-CG1 3.61Å; W742-V1006 HydrophobicContact CB-CG2 4.19Å; W742-V1006 HydrophobicContact CG-CG1 3.83Å
743	Q	89.8	Confident	85.6	Confident	7 Å²	7	33 Å²	33	3%	0.033	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	111.4	-177.8	-177.9	59.3	52.9	0	0	110.4	I705 G720 Q721 I723 C747	I705-Q743 HydrophobicContact CD1-CG 3.86Å; I705-Q743 HydrophobicContact CG2-CG 4.33Å; G720-Q743 CarbonylContact C-O 3.59Å; G720-Q743 WeakPolarHBondContact CA-O 3.48Å; Q721-Q743 PolarHBondContact N-O 2.83Å; Q721-Q743 PolarHBondContact O-N 3.21Å; I723-Q743 HydrophobicContact CD1-CB 3.56Å; I723-Q743 HydrophobicContact CD1-CG 3.85Å; I723-Q743 HydrophobicContact CG1-CB 4.07Å; Q743-C747 PolarHBondContact NE2-O 3.46Å
744	P	90.9	Very high	85.9	Confident	5 Å²	5	32.9 Å²	32.9	3%	0.032	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	148.5	165.4	-21.5	33.7	0	0	0	111.6	T718 N746	T718-P744 HydrophobicContact CG2-CB 4.37Å; P744-N746 PolarHBondContact O-N 3.24Å
745	H	87.2	Confident	86.1	Confident	67 Å²	67	35.9 Å²	35.9	31%	0.31	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	127.4	176	-60.7	94	0	0	0	110.1	K719 G720 C747	K719-H745 PolarHBondContact O-N 2.98Å; K719-H745 PolarHBondContact O-ND1 3.05Å; G720-H745 WeakPolarHBondContact CA-ND1 3.45Å; G720-H745 PolarHBondContact N-ND1 3.02Å; H745-C747 PolarHBondContact O-N 2.9Å
746	N	83.6	Confident	86.4	Confident	134 Å²	134	40.8 Å²	40.8	72%	0.717	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.3	9.5	171.1	-49.5	-27.3	0	0	0	116.3	P744	P744-N746 PolarHBondContact O-N 3.24Å
747	C	88.3	Confident	86.7	Confident	8 Å²	8	40.2 Å²	40.2	5%	0.054	20%	0.203	C	C	.	.			trans	-149.5	171.4	179	72.5	0	0	0	0	111.5	E711 C713 T718 Q743 H745	E711-C747 WeakPolarHBondContact O-CA 3.18Å; C713-C747 WeakPolarHBondContact CA-SG 3.46Å; C713-C747 HydrophobicContact CB-CB 3.88Å; C713-C747 WeakPolarHBondContact CB-SG 3.49Å; C713-C747 WeakPolarHBondContact SG-CB 3.37Å; C713-C747 CovalentContact SG-SG 2.04Å; C713-C747 PolarHBondContact SG-SG 2.75Å; T718-C747 WeakPolarHBondContact CG2-SG 3.4Å; Q743-C747 PolarHBondContact NE2-O 3.46Å; H745-C747 PolarHBondContact O-N 2.9Å
748	Q	86.3	Confident	87.2	Confident	27 Å²	27	42 Å²	42	13%	0.126	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-136.5	143.4	176.3	-172.6	161	16.1	0	0	112.3	I710 E711 S712 C713 S979	I710-Q748 HydrophobicContact CG2-CB 3.89Å; E711-Q748 PolarHBondContact O-N 3.31Å; S712-Q748 CarbonylContact C-O 3.57Å; S712-Q748 VanDerWaalsContact CA-O 3.3Å; S712-Q748 WeakPolarHBondContact CA-O 3.13Å; C713-Q748 PolarHBondContact N-O 3.39Å; C713-Q748 PolarHBondContact SG-N 3Å; Q748-S979 VanDerWaalsContact NE2-CB 3.28Å; Q748-S979 PolarHBondContact NE2-OG 2.89Å
749	H	88.1	Confident	87.9	Confident	16 Å²	16	44.1 Å²	44.1	7%	0.074	23%	0.226	C	C	.	.			trans	-86.6	125.4	168.4	-69.1	-68.9	0	0	0	109.7	C713 S715 V751 Q981 I1010	C713-H749 WeakPolarHBondContact CB-CE1 3.1Å; S715-H749 PolarHBondContact O-CE1 3.1Å; H749-V751 PolarHBondContact O-N 2.88Å; H749-Q981 PolarHBondContact O-OE1 2.64Å; H749-I1010 HydrophobicContact CB-CG1 4.42Å
750	N	82.8	Confident	88.6	Confident	78 Å²	78	45 Å²	45	42%	0.417	23%	0.233	S	C	.	.			trans	-66.7	121.9	-179.7	-68.3	-20.1	0	0	0	111.8	L752 S1013	N750-L752 PolarHBondContact O-N 3.44Å; N750-S1013 PolarHBondContact N-OG 2.9Å; N750-S1013 WeakPolarHBondContact O-CB 3.45Å; N750-S1013 PolarHBondContact O-OG 2.67Å
751	V	84.8	Confident	89	Confident	12 Å²	12	44 Å²	44	7%	0.073	23%	0.228	C	C	.	.			trans	-85.8	105.7	169.9	177.8	0	0	0	0	108.6	H749 Q981 L984 Q985	H749-V751 PolarHBondContact O-N 2.88Å; V751-Q981 HydrophobicContact CB-CB 4.39Å; V751-Q981 HydrophobicContact CB-CG 4.37Å; V751-Q981 HydrophobicContact CG2-CB 4.12Å; V751-Q981 HydrophobicContact CG2-CG 4.41Å; V751-L984 HydrophobicContact CG1-CB 4.22Å; V751-L984 HydrophobicContact CG1-CD2 4.38Å; V751-Q985 HydrophobicContact CG1-CG 4.01Å; V751-Q985 HydrophobicContact CG2-CG 3.8Å
752	L	87	Confident	89.3	Confident	28 Å²	28	49.8 Å²	49.8	15%	0.147	25%	0.249	C	C	.	.			trans	-75.8	137.5	-174.2	-61.7	165.7	0	0	0	111.5	N750 E756 L757 R784 C1016	N750-L752 PolarHBondContact O-N 3.44Å; L752-E756 HydrophobicContact CB-CB 4.31Å; L752-E756 HydrophobicContact CD2-CB 4.24Å; L752-L757 HydrophobicContact CB-CB 4.24Å; L752-L757 HydrophobicContact CD1-CD1 4.03Å; L752-R784 PolarHBondContact O-NH2 2.73Å; L752-C1016 HydrophobicContact CD1-CB 3.44Å; L752-C1016 VanDerWaalsContact CD1-CB 3.44Å
753	T	87.8	Confident	89.2	Confident	51 Å²	51	51.2 Å²	51.2	31%	0.313	27%	0.27	S	S	.	.			trans	-64.7	160.1	166.7	64.1	0	0	0	0	110.4	E756 L757 L984	T753-E756 WeakPolarHBondContact CB-OE2 3.2Å; T753-E756 WeakPolarHBondContact CG2-OE2 3.47Å; T753-E756 PolarHBondContact N-OE2 3.2Å; T753-E756 PolarHBondContact O-N 3.46Å; T753-E756 WeakPolarHBondContact OG1-CG 3.38Å; T753-E756 PolarHBondContact OG1-OE2 3.22Å; T753-L757 WeakPolarHBondContact O-CB 3.45Å; T753-L757 PolarHBondContact O-N 3.36Å; T753-L984 HydrophobicContact CG2-CD2 3.92Å
754	K	86.8	Confident	89.4	Confident	58 Å²	58	52.2 Å²	52.2	25%	0.252	27%	0.273	S	S	.	.	H	α-helix	trans	-54.9	-48.5	178.1	177.9	-169.8	179.2	-163.5	0	112.4	E756 L757 Q758 E787	K754-E756 PolarHBondContact O-N 2.65Å; K754-L757 PolarHBondContact O-N 3.06Å; K754-Q758 VanDerWaalsContact CE-NE2 3.26Å; K754-Q758 HydrophobicContact CG-CG 4.15Å; K754-Q758 WeakPolarHBondContact O-CB 3.42Å; K754-Q758 VanDerWaalsContact O-CG 3.28Å; K754-Q758 WeakPolarHBondContact O-CG 3.43Å; K754-Q758 PolarHBondContact O-N 3.36Å; K754-E787 HydrophobicContact CD-CG 3.9Å; K754-E787 WeakPolarHBondContact CD-OE1 3.22Å; K754-E787 WeakPolarHBondContact CE-OE1 3.16Å; K754-E787 IonicContact NZ-OE1 2.68Å; K754-E787 PolarHBondContact NZ-OE1 3.38Å; K754-E787 IonicContact NZ-OE2 3.53Å
755	P	89.6	Confident	89.6	Confident	87 Å²	87	54 Å²	54	57%	0.565	28%	0.281	S	S	*	.	H	α-helix	trans	-60.8	-41.4	178.4	-24.3	35.6	0	0	0	113.3	Q758 Q759	P755-Q758 PolarHBondContact O-N 2.84Å; P755-Q759 VanDerWaalsContact O-CB 3.27Å; P755-Q759 WeakPolarHBondContact O-CB 3.43Å; P755-Q759 PolarHBondContact O-N 3.11Å
756	E	91.2	Very high	90.1	Very high	103 Å²	103	50.9 Å²	50.9	48%	0.481	27%	0.266	S	S	.	.	H	α-helix	trans	-62.8	-44.8	176.8	-70.4	164.1	159.7	0	0	111.5	L752 T753 K754 Q759 C760	L752-E756 HydrophobicContact CB-CB 4.31Å; L752-E756 HydrophobicContact CD2-CB 4.24Å; T753-E756 WeakPolarHBondContact CB-OE2 3.2Å; T753-E756 WeakPolarHBondContact CG2-OE2 3.47Å; T753-E756 PolarHBondContact N-OE2 3.2Å; T753-E756 PolarHBondContact O-N 3.46Å; T753-E756 WeakPolarHBondContact OG1-CG 3.38Å; T753-E756 PolarHBondContact OG1-OE2 3.22Å; K754-E756 PolarHBondContact O-N 2.65Å; E756-Q759 PolarHBondContact O-N 2.74Å; E756-C760 WeakPolarHBondContact O-CB 3.27Å; E756-C760 PolarHBondContact O-N 3.18Å
757	L	92.2	Very high	90.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-65.2	-45.1	177.9	-175.7	65.9	0	0	0	111.8	L752 T753 K754 Q759 C760 L761 R784 L785 L1012	L752-L757 HydrophobicContact CB-CB 4.24Å; L752-L757 HydrophobicContact CD1-CD1 4.03Å; T753-L757 WeakPolarHBondContact O-CB 3.45Å; T753-L757 PolarHBondContact O-N 3.36Å; K754-L757 PolarHBondContact O-N 3.06Å; L757-Q759 VanDerWaalsContact C-N 3.29Å; L757-Q759 PolarHBondContact O-N 2.9Å; L757-C760 PolarHBondContact O-N 3.37Å; L757-L761 HydrophobicContact CD1-CD1 3.67Å; L757-L761 HydrophobicContact CD1-CG 4.11Å; L757-L761 HydrophobicContact CG-CD1 4.09Å; L757-L761 WeakPolarHBondContact O-CB 3.26Å; L757-L761 PolarHBondContact O-N 3.09Å; L757-R784 HydrophobicContact CD2-CB 3.93Å; L757-L785 HydrophobicContact CD2-CD2 4.07Å; L757-L785 HydrophobicContact CD2-CG 4.21Å; L757-L785 HydrophobicContact CG-CD2 3.84Å; L757-L785 HydrophobicContact CG-CG 4.43Å; L757-L1012 HydrophobicContact CD1-CB 4.24Å; L757-L1012 HydrophobicContact CD1-CD1 4.36Å; L757-L1012 HydrophobicContact CD1-CD2 4.24Å; L757-L1012 HydrophobicContact CD2-CD1 3.93Å
758	Q	93.1	Very high	91.1	Very high	57 Å²	57	44.1 Å²	44.1	27%	0.266	23%	0.229	S	C	.	.	H	α-helix	trans	-62	-38.2	177.4	-75.4	-172.9	-35.6	0	0	111.8	K754 P755 R762 L785 N805	K754-Q758 VanDerWaalsContact CE-NE2 3.26Å; K754-Q758 HydrophobicContact CG-CG 4.15Å; K754-Q758 WeakPolarHBondContact O-CB 3.42Å; K754-Q758 VanDerWaalsContact O-CG 3.28Å; K754-Q758 WeakPolarHBondContact O-CG 3.43Å; K754-Q758 PolarHBondContact O-N 3.36Å; P755-Q758 PolarHBondContact O-N 2.84Å; Q758-R762 WeakPolarHBondContact O-CB 3.45Å; Q758-R762 PolarHBondContact O-N 3.4Å; Q758-L785 HydrophobicContact CB-CD2 4.48Å; Q758-L785 HydrophobicContact CG-CD2 3.89Å; Q758-L785 PolarHBondContact NE2-O 3.46Å; Q758-N805 WeakPolarHBondContact CB-OD1 3.49Å; Q758-N805 VanDerWaalsContact CG-OD1 3.24Å; Q758-N805 WeakPolarHBondContact CG-OD1 3.21Å; Q758-N805 PolarHBondContact O-ND2 3.15Å
759	Q	93.3	Very high	91.6	Very high	125 Å²	125	42.8 Å²	42.8	58%	0.584	22%	0.223	S	C	*	.	H	α-helix	trans	-71.7	-43.1	177	-178.1	59.2	21.2	0	0	111.7	P755 E756 L757 L761 R762	P755-Q759 VanDerWaalsContact O-CB 3.27Å; P755-Q759 WeakPolarHBondContact O-CB 3.43Å; P755-Q759 PolarHBondContact O-N 3.11Å; E756-Q759 PolarHBondContact O-N 2.74Å; L757-Q759 VanDerWaalsContact C-N 3.29Å; L757-Q759 PolarHBondContact O-N 2.9Å; Q759-L761 PolarHBondContact O-N 2.93Å; Q759-R762 WeakPolarHBondContact O-CB 3.36Å; Q759-R762 PolarHBondContact O-N 2.82Å
760	C	93.8	Very high	91.9	Very high	28 Å²	28	42 Å²	42	19%	0.189	22%	0.22	C	C	.	.	H	α-helix	trans	-60	-45.1	176.9	162.4	0	0	0	0	112.8	E756 L757 R762 R764 C1016	E756-C760 WeakPolarHBondContact O-CB 3.27Å; E756-C760 PolarHBondContact O-N 3.18Å; L757-C760 PolarHBondContact O-N 3.37Å; C760-R762 VanDerWaalsContact C-N 3.33Å; C760-R764 PolarHBondContact O-NE 3.39Å; C760-C1016 HydrophobicContact CB-CB 3.89Å; C760-C1016 WeakPolarHBondContact CB-SG 3.08Å; C760-C1016 WeakPolarHBondContact SG-CA 3.37Å; C760-C1016 WeakPolarHBondContact SG-CB 3.48Å; C760-C1016 CovalentContact SG-SG 2.02Å; C760-C1016 PolarHBondContact SG-SG 3.35Å
761	L	94.1	Very high	92.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	2.2	-174.5	-61.3	-177.1	0	0	0	113.2	L757 Q759 G763 R764 I766 L781 L785 T809 M1015	L757-L761 HydrophobicContact CD1-CD1 3.67Å; L757-L761 HydrophobicContact CD1-CG 4.11Å; L757-L761 HydrophobicContact CG-CD1 4.09Å; L757-L761 WeakPolarHBondContact O-CB 3.26Å; L757-L761 PolarHBondContact O-N 3.09Å; Q759-L761 PolarHBondContact O-N 2.93Å; L761-G763 PolarHBondContact O-N 2.92Å; L761-R764 PolarHBondContact O-N 3.15Å; L761-I766 HydrophobicContact CD1-CD1 4.13Å; L761-I766 HydrophobicContact CD2-CD1 4.15Å; L761-L781 HydrophobicContact CD1-CD1 3.48Å; L761-L781 VanDerWaalsContact CD1-CD1 3.48Å; L761-L785 HydrophobicContact CD1-CD1 3.89Å; L761-L785 HydrophobicContact CD1-CD2 4.19Å; L761-L785 HydrophobicContact CD1-CG 4.34Å; L761-T809 HydrophobicContact CB-CG2 4.33Å; L761-T809 PolarHBondContact O-OG1 2.82Å; L761-M1015 HydrophobicContact CD2-CB 4.25Å
762	R	93	Very high	92.3	Very high	133 Å²	133	38.9 Å²	38.9	50%	0.502	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	127.6	175.7	-176.5	176.5	179.2	174.6	-3.6	110.1	Q758 Q759 C760 R764 K808	Q758-R762 WeakPolarHBondContact O-CB 3.45Å; Q758-R762 PolarHBondContact O-N 3.4Å; Q759-R762 WeakPolarHBondContact O-CB 3.36Å; Q759-R762 PolarHBondContact O-N 2.82Å; C760-R762 VanDerWaalsContact C-N 3.33Å; R762-R764 PolarHBondContact O-N 3.4Å; R762-K808 HydrophobicContact CG-CB 4.29Å; R762-K808 HydrophobicContact CG-CD 4.26Å
763	G	90.2	Very high	92.4	Very high	52 Å²	52	38.1 Å²	38.1	54%	0.536	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.2	-12.3	-179.8	0	0	0	0	0	114.5	L761 K808	L761-G763 PolarHBondContact O-N 2.92Å; G763-K808 VanDerWaalsContact CA-O 3.31Å; G763-K808 WeakPolarHBondContact CA-O 3.3Å; G763-K808 PolarHBondContact N-O 3.21Å
764	R	93.8	Very high	92.6	Very high	27 Å²	27	35.7 Å²	35.7	10%	0.102	19%	0.185	C	C	.	.			trans	-76.5	146.9	-175	-59	-158.8	-168.7	-156.5	9.9	113.1	C760 L761 R762 L810 D847 Q848 M1015	C760-R764 PolarHBondContact O-NE 3.39Å; L761-R764 PolarHBondContact O-N 3.15Å; R762-R764 PolarHBondContact O-N 3.4Å; R764-L810 PolarHBondContact O-N 3.48Å; R764-L810 VanDerWaalsContact O-N 3.15Å; R764-D847 PolarHBondContact NH1-O 2.85Å; R764-Q848 CarbonylContact C-O 3.57Å; R764-Q848 WeakPolarHBondContact CA-O 3.23Å; R764-Q848 WeakPolarHBondContact CB-O 3.44Å; R764-M1015 PolarHBondContact NH1-O 2.81Å; R764-M1015 VanDerWaalsContact NH1-O 3.07Å
765	K	95.3	Very high	92.8	Very high	44 Å²	44	34 Å²	34	19%	0.191	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	117.6	169	-64.5	-166.6	170.4	-166.3	0	109.6	L810 P842 L843 Q848 T849 V850	K765-L810 CarbonylContact C-O 3.52Å; K765-L810 WeakPolarHBondContact CA-O 3.44Å; K765-L810 HydrophobicContact CD-CD2 4.47Å; K765-L810 HydrophobicContact CG-CB 4.3Å; K765-L810 HydrophobicContact CG-CD2 4.4Å; K765-P842 WeakPolarHBondContact CD-O 3.28Å; K765-P842 WeakPolarHBondContact CE-O 3.15Å; K765-P842 PolarHBondContact NZ-O 3.48Å; K765-L843 HydrophobicContact CD-CD2 3.97Å; K765-Q848 PolarHBondContact N-O 3.13Å; K765-T849 WeakPolarHBondContact O-CA 3.46Å; K765-V850 PolarHBondContact O-N 3.15Å
766	I	96.7	Very high	92.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	115.1	-175	-46.5	173.9	0	0	0	109	L761 F768 L781 T809 L810 I811 S812 V850 V852 M1015	L761-I766 HydrophobicContact CD1-CD1 4.13Å; L761-I766 HydrophobicContact CD2-CD1 4.15Å; I766-F768 HydrophobicContact CB-CE2 4.35Å; I766-F768 HydrophobicContact CG2-CD2 3.98Å; I766-F768 HydrophobicContact CG2-CE2 3.38Å; I766-F768 HydrophobicContact CG2-CZ 4.08Å; I766-L781 HydrophobicContact CD1-CD2 3.83Å; I766-L781 HydrophobicContact CG2-CD2 4.49Å; I766-T809 HydrophobicContact CD1-CG2 3.81Å; I766-T809 HydrophobicContact CG1-CG2 4.26Å; I766-L810 PolarHBondContact N-O 2.87Å; I766-I811 HydrophobicContact CB-CG1 4.25Å; I766-I811 HydrophobicContact CD1-CG1 4.43Å; I766-I811 CarbonylContact O-C 3.59Å; I766-I811 VanDerWaalsContact O-CA 3.28Å; I766-I811 WeakPolarHBondContact O-CA 3.21Å; I766-S812 PolarHBondContact O-N 3.09Å; I766-V850 CarbonylContact C-O 3.58Å; I766-V850 WeakPolarHBondContact CA-O 3.38Å; I766-V850 HydrophobicContact CG1-CB 4.46Å; I766-V850 HydrophobicContact CG2-CB 4.27Å; I766-V850 HydrophobicContact CG2-CG1 4.42Å; I766-V852 HydrophobicContact CG2-CG2 4.33Å; I766-M1015 HydrophobicContact CG2-CE 3.74Å
767	L	97.1	Very high	93	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	119.5	-174.9	-46.3	-176.1	0	0	0	108.8	S812 L836 L837 S840 L843 T849 V850 L851 V852	L767-S812 CarbonylContact C-O 3.51Å; L767-L836 HydrophobicContact CB-CD2 4.16Å; L767-L836 HydrophobicContact CB-CG 4.44Å; L767-L837 HydrophobicContact CD1-CD2 3.79Å; L767-S840 VanDerWaalsContact CD2-CB 3.46Å; L767-S840 WeakPolarHBondContact CD2-OG 3.42Å; L767-L843 HydrophobicContact CD1-CD1 4Å; L767-L843 HydrophobicContact CD1-CD2 4.04Å; L767-T849 HydrophobicContact CD1-CG2 4.24Å; L767-V850 PolarHBondContact N-O 2.03Å; L767-L851 HydrophobicContact CB-CD1 3.99Å; L767-L851 CarbonylContact O-C 3.46Å; L767-L851 WeakPolarHBondContact O-CA 3.45Å; L767-V852 PolarHBondContact O-N 3.27Å
768	F	96.9	Very high	93.1	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	132.3	175.7	-73.8	-98.8	0	0	0	110.1	I766 M778 L781 I811 S812 Y813 S814 L836 V852 L1011 M1015	I766-F768 HydrophobicContact CB-CE2 4.35Å; I766-F768 HydrophobicContact CG2-CD2 3.98Å; I766-F768 HydrophobicContact CG2-CE2 3.38Å; I766-F768 HydrophobicContact CG2-CZ 4.08Å; F768-M778 HydrophobicContact CD1-CB 4.03Å; F768-M778 HydrophobicContact CD2-CB 4.07Å; F768-M778 HydrophobicContact CD2-CG 3.81Å; F768-M778 HydrophobicContact CD2-SD 4.47Å; F768-M778 HydrophobicContact CE1-CB 3.95Å; F768-M778 HydrophobicContact CE2-CB 3.98Å; F768-M778 HydrophobicContact CE2-CG 3.8Å; F768-M778 HydrophobicContact CG-CB 4.1Å; F768-M778 HydrophobicContact CG-CG 4.25Å; F768-M778 HydrophobicContact CZ-CB 3.93Å; F768-M778 HydrophobicContact CZ-CG 4.25Å; F768-L781 HydrophobicContact CE2-CD2 4.03Å; F768-L781 HydrophobicContact CZ-CD2 3.99Å; F768-I811 HydrophobicContact CD2-CG2 3.95Å; F768-I811 HydrophobicContact CE2-CG2 4.07Å; F768-S812 PolarHBondContact N-O 2.9Å; F768-Y813 HydrophobicContact CB-CD2 3.65Å; F768-Y813 HydrophobicContact CB-CE2 4.48Å; F768-Y813 HydrophobicContact CB-CG 4.49Å; F768-Y813 CarbonylContact O-C 3.51Å; F768-Y813 VanDerWaalsContact O-CA 3.32Å; F768-Y813 WeakPolarHBondContact O-CA 3.37Å; F768-S814 PolarHBondContact O-N 3.22Å; F768-L836 WeakPolarHBondContact O-CD2 2.85Å; F768-V852 WeakPolarHBondContact CA-O 3.36Å; F768-V852 HydrophobicContact CD1-CB 3.67Å; F768-V852 HydrophobicContact CD1-CG1 3.85Å; F768-V852 HydrophobicContact CD1-CG2 4.21Å; F768-V852 HydrophobicContact CE1-CB 3.79Å; F768-V852 HydrophobicContact CE1-CG1 3.78Å; F768-V852 HydrophobicContact CE1-CG2 3.9Å; F768-V852 HydrophobicContact CG-CB 4.2Å; F768-V852 HydrophobicContact CZ-CB 4.41Å; F768-V852 HydrophobicContact CZ-CG2 4.05Å; F768-L1011 HydrophobicContact CE1-CD2 4.09Å; F768-L1011 HydrophobicContact CZ-CD2 4.26Å; F768-M1015 HydrophobicContact CZ-CE 4.12Å
769	I	96.2	Very high	93.1	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	118.3	167.9	-178.6	167.1	0	0	0	109.8	S814 F829 A832 L833 L836 L851 V852 V853 G854	I769-S814 WeakPolarHBondContact CA-O 3.5Å; I769-F829 HydrophobicContact CD1-CD2 4.35Å; I769-F829 HydrophobicContact CD1-CE2 3.92Å; I769-F829 HydrophobicContact CG1-CE2 4.31Å; I769-A832 HydrophobicContact CD1-CB 4.05Å; I769-L833 HydrophobicContact CD1-CB 4.28Å; I769-L833 HydrophobicContact CG2-CD1 4.4Å; I769-L836 HydrophobicContact CB-CD2 3.72Å; I769-L836 HydrophobicContact CG2-CD2 4.18Å; I769-L851 HydrophobicContact CG2-CD1 4.14Å; I769-V852 PolarHBondContact N-O 3.01Å; I769-V853 HydrophobicContact CG2-CB 4.17Å; I769-V853 HydrophobicContact CG2-CG1 4.07Å; I769-V853 HydrophobicContact CG2-CG2 3.65Å; I769-V853 WeakPolarHBondContact O-CA 3.19Å; I769-G854 PolarHBondContact O-N 2.72Å; I769-G854 VanDerWaalsContact O-N 3.14Å
770	G	93.6	Very high	93	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.5	-170.8	-176	0	0	0	0	0	115.3	Y813 S814 Y815 Y816 G854	G770-Y813 PolarHBondContact O-OH 3.19Å; G770-S814 PolarHBondContact N-O 3.29Å; G770-S814 VanDerWaalsContact N-O 3.08Å; G770-Y815 WeakPolarHBondContact O-CA 3.39Å; G770-Y816 CarbonylContact C-O 3.57Å; G770-Y816 PolarHBondContact O-N 3.07Å; G770-G854 WeakPolarHBondContact CA-O 3.37Å
771	D	89.4	Confident	93	Very high	11 Å²	11	15.6 Å²	15.6	6%	0.059	8%	0.08	C	C	.	.			trans	-80.9	-169.2	-178	67	25	0	0	0	112.9	T773 N774 R775 Y813 Y816 G854 G855 V856	D771-T773 VanDerWaalsContact C-N 3.25Å; D771-T773 PolarHBondContact O-N 3.16Å; D771-T773 WeakPolarHBondContact OD1-CA 3.47Å; D771-T773 WeakPolarHBondContact OD1-CB 3.08Å; D771-T773 PolarHBondContact OD1-N 2.96Å; D771-T773 PolarHBondContact OD1-OG1 3.29Å; D771-N774 PolarHBondContact O-N 2.01Å; D771-N774 PolarHBondContact OD1-N 3.19Å; D771-R775 PolarHBondContact O-N 2.63Å; D771-R775 VanDerWaalsContact O-N 3.16Å; D771-Y813 PolarHBondContact O-OH 2.89Å; D771-Y816 PolarHBondContact N-O 2.95Å; D771-G854 PolarHBondContact N-O 3.31Å; D771-G855 VanDerWaalsContact OD2-CA 3.27Å; D771-G855 WeakPolarHBondContact OD2-CA 3.49Å; D771-V856 PolarHBondContact OD2-N 2.94Å
772	S	86.8	Confident	92.9	Very high	13 Å²	13	16 Å²	16	9%	0.091	8%	0.083	C	C	.	.	H	α-helix	trans	-62.4	-27.2	179.4	59.7	0	0	0	0	114	R775 G776 H948 H950	S772-R775 WeakPolarHBondContact O-CB 3.32Å; S772-G776 PolarHBondContact O-N 3.13Å; S772-G776 VanDerWaalsContact O-N 3.17Å; S772-H948 PolarHBondContact OG-CE1 3.49Å; S772-H948 PolarHBondContact OG-NE2 3Å; S772-H950 PolarHBondContact O-CE1 2.72Å
773	T	89.8	Confident	92.7	Very high	11 Å²	11	10.6 Å²	10.6	7%	0.067	6%	0.063	C	C	.	.	H	α-helix	trans	-77.4	-37.4	178.6	68.7	0	0	0	0	111.6	D771 R775 G776 M777 V856 K884	D771-T773 VanDerWaalsContact C-N 3.25Å; D771-T773 PolarHBondContact O-N 3.16Å; D771-T773 WeakPolarHBondContact OD1-CA 3.47Å; D771-T773 WeakPolarHBondContact OD1-CB 3.08Å; D771-T773 PolarHBondContact OD1-N 2.96Å; D771-T773 PolarHBondContact OD1-OG1 3.29Å; T773-R775 VanDerWaalsContact C-N 3.28Å; T773-R775 PolarHBondContact O-N 2.79Å; T773-G776 PolarHBondContact O-N 2.63Å; T773-G776 VanDerWaalsContact O-N 3.09Å; T773-M777 PolarHBondContact O-N 3.29Å; T773-V856 HydrophobicContact CG2-CG2 3.45Å; T773-V856 VanDerWaalsContact CG2-CG2 3.45Å; T773-V856 VanDerWaalsContact OG1-CG2 3.31Å; T773-V856 WeakPolarHBondContact OG1-CG2 3.33Å; T773-K884 PolarHBondContact OG1-NZ 3.26Å
774	N	92.3	Very high	92.7	Very high	0 Å²	0	9 Å²	9	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-64.7	-36.2	172.5	-173.5	-122.3	0	0	0	111.2	D771 G776 M777 M778	D771-N774 PolarHBondContact O-N 2.01Å; D771-N774 PolarHBondContact OD1-N 3.19Å; N774-G776 VanDerWaalsContact C-N 3.31Å; N774-G776 PolarHBondContact O-N 2.94Å; N774-M777 PolarHBondContact O-N 3.49Å; N774-M778 PolarHBondContact O-N 3.47Å
775	R	90.8	Very high	92.4	Very high	22 Å²	22	7.7 Å²	7.7	8%	0.083	4%	0.036	C	C	.	.	H	α-helix	trans	-61.6	-36.3	169.9	-166.8	175.2	56	-125.1	-0.9	113.2	D771 S772 T773 M777 M778 Y779 Y813 Y815	D771-R775 PolarHBondContact O-N 2.63Å; D771-R775 VanDerWaalsContact O-N 3.16Å; S772-R775 WeakPolarHBondContact O-CB 3.32Å; T773-R775 VanDerWaalsContact C-N 3.28Å; T773-R775 PolarHBondContact O-N 2.79Å; R775-M777 VanDerWaalsContact C-N 3.33Å; R775-M777 PolarHBondContact O-N 3.43Å; R775-M778 HydrophobicContact CG-CE 4.02Å; R775-M778 WeakPolarHBondContact O-CB 3.47Å; R775-M778 PolarHBondContact O-N 2.97Å; R775-Y779 HydrophobicContact CG-CD2 3.96Å; R775-Y779 HydrophobicContact CG-CE2 3.56Å; R775-Y779 WeakPolarHBondContact O-CD2 3.45Å; R775-Y779 PolarHBondContact O-N 3.08Å; R775-Y813 HydrophobicContact CB-CD2 4.39Å; R775-Y813 HydrophobicContact CB-CE1 4.36Å; R775-Y813 HydrophobicContact CB-CE2 3.65Å; R775-Y813 HydrophobicContact CG-CD2 4.45Å; R775-Y813 HydrophobicContact CG-CE1 4.17Å; R775-Y813 HydrophobicContact CG-CE2 4.09Å; R775-Y815 VanDerWaalsContact NH1-CE2 3.3Å
776	G	91.3	Very high	92	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-59.4	-42.4	175.7	0	0	0	0	0	112.7	S772 T773 N774 Y779 Y780 H950	S772-G776 PolarHBondContact O-N 3.13Å; S772-G776 VanDerWaalsContact O-N 3.17Å; T773-G776 PolarHBondContact O-N 2.63Å; T773-G776 VanDerWaalsContact O-N 3.09Å; N774-G776 VanDerWaalsContact C-N 3.31Å; N774-G776 PolarHBondContact O-N 2.94Å; G776-Y779 PolarHBondContact O-N 3.43Å; G776-Y780 PolarHBondContact O-N 2.89Å; G776-H950 WeakPolarHBondContact CA-NE2 3.47Å
777	M	93.9	Very high	90.7	Very high	2 Å²	2	12.4 Å²	12.4	1%	0.01	6%	0.06	C	C	.	.	H	α-helix	trans	-67.1	-38.1	175.4	-59.4	176.8	74.9	0	0	112.2	T773 N774 R775 Y780 L781 K884 V927 C1007 L1011	T773-M777 PolarHBondContact O-N 3.29Å; N774-M777 PolarHBondContact O-N 3.49Å; R775-M777 VanDerWaalsContact C-N 3.33Å; R775-M777 PolarHBondContact O-N 3.43Å; M777-Y780 PolarHBondContact O-N 3.2Å; M777-L781 PolarHBondContact O-N 3.31Å; M777-K884 HydrophobicContact SD-CD 4.36Å; M777-K884 HydrophobicContact SD-CG 3.82Å; M777-V927 HydrophobicContact CE-CG1 4.36Å; M777-C1007 HydrophobicContact CE-CB 3.98Å; M777-C1007 VanDerWaalsContact CE-O 3.25Å; M777-C1007 WeakPolarHBondContact CE-O 3.39Å; M777-L1011 HydrophobicContact CB-CD2 4.24Å; M777-L1011 HydrophobicContact CE-CB 3.68Å; M777-L1011 HydrophobicContact CE-CD2 3.76Å; M777-L1011 HydrophobicContact CE-CG 4.25Å
778	M	93.9	Very high	89.3	Confident	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-61.8	-46.6	173.6	-179.2	-155.8	71.7	0	0	111.8	F768 N774 R775 Y780 L781 I782 Y801 I811 Y813	F768-M778 HydrophobicContact CD1-CB 4.03Å; F768-M778 HydrophobicContact CD2-CB 4.07Å; F768-M778 HydrophobicContact CD2-CG 3.81Å; F768-M778 HydrophobicContact CD2-SD 4.47Å; F768-M778 HydrophobicContact CE1-CB 3.95Å; F768-M778 HydrophobicContact CE2-CB 3.98Å; F768-M778 HydrophobicContact CE2-CG 3.8Å; F768-M778 HydrophobicContact CG-CB 4.1Å; F768-M778 HydrophobicContact CG-CG 4.25Å; F768-M778 HydrophobicContact CZ-CB 3.93Å; F768-M778 HydrophobicContact CZ-CG 4.25Å; N774-M778 PolarHBondContact O-N 3.47Å; R775-M778 HydrophobicContact CG-CE 4.02Å; R775-M778 WeakPolarHBondContact O-CB 3.47Å; R775-M778 PolarHBondContact O-N 2.97Å; M778-Y780 VanDerWaalsContact C-N 3.3Å; M778-Y780 PolarHBondContact O-N 3.36Å; M778-L781 WeakPolarHBondContact O-CB 3.31Å; M778-L781 PolarHBondContact O-N 2.83Å; M778-I782 HydrophobicContact CE-CD1 4.09Å; M778-I782 HydrophobicContact CG-CD1 4.13Å; M778-I782 WeakPolarHBondContact O-CG1 3.06Å; M778-I782 PolarHBondContact O-N 3.47Å; M778-I782 HydrophobicContact SD-CD1 4.41Å; M778-Y801 HydrophobicContact CE-CE2 3.73Å; M778-Y801 HydrophobicContact SD-CD2 4.31Å; M778-Y801 HydrophobicContact SD-CE2 3.85Å; M778-I811 HydrophobicContact CG-CG2 3.77Å; M778-I811 HydrophobicContact SD-CG2 3.93Å; M778-Y813 VanDerWaalsContact SD-CB 3.52Å; M778-Y813 HydrophobicContact SD-CD2 4.09Å; M778-Y813 HydrophobicContact SD-CG 3.99Å
779	Y	92.5	Very high	88.3	Confident	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-63.4	-37.7	177.8	-73.5	-43.8	0	0	0	112	R775 G776 I782 E783 L789 W792 Q793 Y801 V952	R775-Y779 HydrophobicContact CG-CD2 3.96Å; R775-Y779 HydrophobicContact CG-CE2 3.56Å; R775-Y779 WeakPolarHBondContact O-CD2 3.45Å; R775-Y779 PolarHBondContact O-N 3.08Å; G776-Y779 PolarHBondContact O-N 3.43Å; Y779-I782 HydrophobicContact CD1-CD1 4.37Å; Y779-I782 PolarHBondContact O-N 2.8Å; Y779-E783 WeakPolarHBondContact O-CB 3.36Å; Y779-E783 PolarHBondContact O-N 3.25Å; Y779-L789 HydrophobicContact CD1-CD1 3.83Å; Y779-L789 HydrophobicContact CD1-CD2 4.4Å; Y779-L789 HydrophobicContact CG-CD1 4.49Å; Y779-L789 HydrophobicContact CG-CD2 4.38Å; Y779-W792 AromaticContact CD2-CD1 3.96Å; Y779-W792 AromaticContact CE2-CD1 3.5Å; Y779-W792 AromaticContact CE2-NE1 3.88Å; Y779-W792 AromaticContact CZ-CD1 3.94Å; Y779-Q793 PolarHBondContact OH-N 3.49Å; Y779-Q793 PolarHBondContact OH-O 3.23Å; Y779-Y801 PolarHBondContact OH-OH 3.28Å; Y779-V952 HydrophobicContact CD2-CG2 4.29Å
780	Y	92.8	Very high	87.1	Confident	11 Å²	11	19.3 Å²	19.3	4%	0.043	9%	0.094	C	C	.	.	H	α-helix	trans	-61.1	-44.4	173.8	-175	-87.1	0	0	0	111.7	G776 M777 M778 I782 E783 R784 V999 Q1005 E1009 L1012	G776-Y780 PolarHBondContact O-N 2.89Å; M777-Y780 PolarHBondContact O-N 3.2Å; M778-Y780 VanDerWaalsContact C-N 3.3Å; M778-Y780 PolarHBondContact O-N 3.36Å; Y780-I782 PolarHBondContact O-N 3.31Å; Y780-E783 PolarHBondContact O-N 3.01Å; Y780-R784 HydrophobicContact CD1-CG 3.84Å; Y780-R784 HydrophobicContact CE1-CG 3.47Å; Y780-R784 VanDerWaalsContact CE1-CG 3.47Å; Y780-R784 WeakPolarHBondContact O-CB 3.28Å; Y780-R784 VanDerWaalsContact O-CG 3.25Å; Y780-R784 WeakPolarHBondContact O-CG 3.45Å; Y780-R784 PolarHBondContact O-N 3.18Å; Y780-V999 HydrophobicContact CD2-CG1 4.49Å; Y780-Q1005 HydrophobicContact CE2-CB 4.14Å; Y780-Q1005 HydrophobicContact CE2-CG 3.99Å; Y780-Q1005 WeakPolarHBondContact OH-CG 3.11Å; Y780-Q1005 PolarHBondContact OH-NE2 3.35Å; Y780-E1009 HydrophobicContact CE1-CG 4.31Å; Y780-E1009 VanDerWaalsContact CE1-OE1 3.28Å; Y780-E1009 WeakPolarHBondContact CE1-OE1 3.48Å; Y780-E1009 PolarHBondContact OH-OE1 2.84Å; Y780-L1012 HydrophobicContact CE1-CD1 4.3Å
781	L	93.5	Very high	85.9	Confident	1 Å²	1	24.4 Å²	24.4	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-58.6	-46.6	174.1	164	64.1	0	0	0	112.2	L761 I766 F768 M777 M778 R784 L785 I811 L1012 M1015	L761-L781 HydrophobicContact CD1-CD1 3.48Å; L761-L781 VanDerWaalsContact CD1-CD1 3.48Å; I766-L781 HydrophobicContact CD1-CD2 3.83Å; I766-L781 HydrophobicContact CG2-CD2 4.49Å; F768-L781 HydrophobicContact CE2-CD2 4.03Å; F768-L781 HydrophobicContact CZ-CD2 3.99Å; M777-L781 PolarHBondContact O-N 3.31Å; M778-L781 WeakPolarHBondContact O-CB 3.31Å; M778-L781 PolarHBondContact O-N 2.83Å; L781-R784 PolarHBondContact O-N 3.34Å; L781-L785 HydrophobicContact CD1-CD1 3.7Å; L781-L785 HydrophobicContact CD1-CG 4.04Å; L781-L785 HydrophobicContact CG-CD1 4.28Å; L781-L785 PolarHBondContact O-N 3.01Å; L781-I811 HydrophobicContact CD2-CD1 3.79Å; L781-I811 HydrophobicContact CG-CD1 4.12Å; L781-L1012 HydrophobicContact CB-CD2 4.06Å; L781-L1012 HydrophobicContact CD1-CD2 3.32Å; L781-L1012 HydrophobicContact CG-CD2 4.16Å; L781-M1015 HydrophobicContact CD2-SD 4.42Å
782	I	91.8	Very high	84.8	Confident	9 Å²	9	28 Å²	28	5%	0.046	13%	0.131	C	C	.	.	H	α-helix	trans	-60.7	-47	178.8	-69.2	167.8	0	0	0	110.4	M778 Y779 Y780 R784 L785 N786 L789 Y801 V804 I811	M778-I782 HydrophobicContact CE-CD1 4.09Å; M778-I782 HydrophobicContact CG-CD1 4.13Å; M778-I782 WeakPolarHBondContact O-CG1 3.06Å; M778-I782 PolarHBondContact O-N 3.47Å; M778-I782 HydrophobicContact SD-CD1 4.41Å; Y779-I782 HydrophobicContact CD1-CD1 4.37Å; Y779-I782 PolarHBondContact O-N 2.8Å; Y780-I782 PolarHBondContact O-N 3.31Å; I782-R784 VanDerWaalsContact C-N 3.35Å; I782-R784 PolarHBondContact O-N 3.2Å; I782-L785 PolarHBondContact O-N 3.32Å; I782-N786 WeakPolarHBondContact O-CB 3.09Å; I782-N786 PolarHBondContact O-N 3.44Å; I782-L789 HydrophobicContact CB-CD1 4.33Å; I782-L789 HydrophobicContact CG2-CD1 3.92Å; I782-Y801 HydrophobicContact CD1-CD1 4.21Å; I782-Y801 HydrophobicContact CD1-CD2 4.38Å; I782-Y801 HydrophobicContact CD1-CE1 4.47Å; I782-Y801 HydrophobicContact CD1-CG 4.16Å; I782-V804 HydrophobicContact CG1-CG2 4.16Å; I782-V804 HydrophobicContact CG2-CG2 4.43Å; I782-I811 HydrophobicContact CD1-CD1 4.42Å; I782-I811 HydrophobicContact CG1-CD1 3.73Å
783	E	89.2	Confident	83.6	Confident	20 Å²	20	32.5 Å²	32.5	9%	0.093	15%	0.151	C	C	.	.	H	α-helix	trans	-60.6	-43	177.6	-173.1	175.8	-167.4	0	0	111.4	Y779 Y780 L785 E787 L789 H998 V999	Y779-E783 WeakPolarHBondContact O-CB 3.36Å; Y779-E783 PolarHBondContact O-N 3.25Å; Y780-E783 PolarHBondContact O-N 3.01Å; E783-L785 VanDerWaalsContact C-N 3.35Å; E783-L785 PolarHBondContact O-N 1.98Å; E783-E787 WeakPolarHBondContact O-CA 3.39Å; E783-E787 PolarHBondContact O-N 2.93Å; E783-L789 HydrophobicContact CB-CB 4.38Å; E783-H998 WeakPolarHBondContact OE1-CA 3.29Å; E783-H998 IonicContact OE1-CE1 2.78Å; E783-H998 IonicContact OE1-CG 3.79Å; E783-H998 IonicContact OE1-ND1 3.97Å; E783-H998 PolarHBondContact OE1-ND1 3.27Å; E783-H998 IonicContact OE2-ND1 2.99Å; E783-V999 WeakPolarHBondContact OE2-CB 3.38Å; E783-V999 WeakPolarHBondContact OE2-CG2 3.46Å; E783-V999 PolarHBondContact OE2-N 3.29Å
784	R	88.9	Confident	82	Confident	17 Å²	17	38.7 Å²	38.7	6%	0.064	18%	0.176	C	C	.	.	H	α-helix	trans	-64.5	-33.8	177.7	-73.8	-79	-80.4	106.4	3.2	113.6	L752 L757 Y780 L781 I782 E1009 L1012	L752-R784 PolarHBondContact O-NH2 2.73Å; L757-R784 HydrophobicContact CD2-CB 3.93Å; Y780-R784 HydrophobicContact CD1-CG 3.84Å; Y780-R784 HydrophobicContact CE1-CG 3.47Å; Y780-R784 VanDerWaalsContact CE1-CG 3.47Å; Y780-R784 WeakPolarHBondContact O-CB 3.28Å; Y780-R784 VanDerWaalsContact O-CG 3.25Å; Y780-R784 WeakPolarHBondContact O-CG 3.45Å; Y780-R784 PolarHBondContact O-N 3.18Å; L781-R784 PolarHBondContact O-N 3.34Å; I782-R784 VanDerWaalsContact C-N 3.35Å; I782-R784 PolarHBondContact O-N 3.2Å; R784-E1009 IonicContact CZ-OE1 3.63Å; R784-E1009 IonicContact NE-OE1 2.89Å; R784-E1009 PolarHBondContact NE-OE1 3.12Å; R784-E1009 IonicContact NH2-OE1 3.45Å; R784-E1009 PolarHBondContact NH2-OE1 2.93Å; R784-E1009 IonicContact NH2-OE2 3.38Å; R784-E1009 PolarHBondContact NH2-OE2 3.09Å; R784-L1012 HydrophobicContact CB-CD1 4.44Å; R784-L1012 HydrophobicContact CG-CD1 4.35Å
785	L	88.3	Confident	80.5	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-79.3	-41.2	178.8	-81	174.4	0	0	0	113.1	L757 Q758 L761 L781 I782 E783 V804 N805 T809	L757-L785 HydrophobicContact CD2-CD2 4.07Å; L757-L785 HydrophobicContact CD2-CG 4.21Å; L757-L785 HydrophobicContact CG-CD2 3.84Å; L757-L785 HydrophobicContact CG-CG 4.43Å; Q758-L785 HydrophobicContact CB-CD2 4.48Å; Q758-L785 HydrophobicContact CG-CD2 3.89Å; Q758-L785 PolarHBondContact NE2-O 3.46Å; L761-L785 HydrophobicContact CD1-CD1 3.89Å; L761-L785 HydrophobicContact CD1-CD2 4.19Å; L761-L785 HydrophobicContact CD1-CG 4.34Å; L781-L785 HydrophobicContact CD1-CD1 3.7Å; L781-L785 HydrophobicContact CD1-CG 4.04Å; L781-L785 HydrophobicContact CG-CD1 4.28Å; L781-L785 PolarHBondContact O-N 3.01Å; I782-L785 PolarHBondContact O-N 3.32Å; E783-L785 VanDerWaalsContact C-N 3.35Å; E783-L785 PolarHBondContact O-N 1.98Å; L785-V804 HydrophobicContact CB-CG1 4.06Å; L785-V804 HydrophobicContact CD1-CG1 3.6Å; L785-N805 HydrophobicContact CD1-CB 4.42Å; L785-N805 HydrophobicContact CD2-CB 4.33Å; L785-T809 HydrophobicContact CD1-CG2 4.47Å
786	N	85.7	Confident	78.9	Confident	44 Å²	44	42.9 Å²	42.9	24%	0.235	20%	0.198	C	C	.	.	H	α-helix	trans	-100.8	-5.7	-172	-77	-1.1	0	0	0	114.2	I782 T788 S803 N805	I782-N786 WeakPolarHBondContact O-CB 3.09Å; I782-N786 PolarHBondContact O-N 3.44Å; N786-T788 PolarHBondContact O-N 3.26Å; N786-S803 PolarHBondContact ND2-O 3.02Å; N786-N805 PolarHBondContact OD1-N 2.92Å
787	E	69.6	Low	77.6	Confident	100 Å²	100	44.5 Å²	44.5	47%	0.467	22%	0.215	S	C	.	.	S	Bend	trans	60.1	-12.1	-167.2	-68.5	174.9	179.7	0	0	115.9	K754 E783 N992	K754-E787 HydrophobicContact CD-CG 3.9Å; K754-E787 WeakPolarHBondContact CD-OE1 3.22Å; K754-E787 WeakPolarHBondContact CE-OE1 3.16Å; K754-E787 IonicContact NZ-OE1 2.68Å; K754-E787 PolarHBondContact NZ-OE1 3.38Å; K754-E787 IonicContact NZ-OE2 3.53Å; E783-E787 WeakPolarHBondContact O-CA 3.39Å; E783-E787 PolarHBondContact O-N 2.93Å; E787-N992 PolarHBondContact O-ND2 3.01Å
788	T	68.6	Low	76.8	Confident	26 Å²	26	45.6 Å²	45.6	16%	0.16	22%	0.222	C	C	.	.	S	Bend	trans	-135.6	139.5	-179.9	62.1	0	0	0	0	109.7	N786 Q790 S995	N786-T788 PolarHBondContact O-N 3.26Å; T788-Q790 PolarHBondContact OG1-NE2 3.06Å; T788-S995 VanDerWaalsContact CA-OG 3.28Å; T788-S995 WeakPolarHBondContact CA-OG 3.48Å
789	L	76.3	Confident	76.4	Confident	3 Å²	3	47.3 Å²	47.3	2%	0.016	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-100.9	100.6	168.6	-178.2	64.4	0	0	0	107.3	Y779 I782 E783 V952 S995 P996 Y997 V999	Y779-L789 HydrophobicContact CD1-CD1 3.83Å; Y779-L789 HydrophobicContact CD1-CD2 4.4Å; Y779-L789 HydrophobicContact CG-CD1 4.49Å; Y779-L789 HydrophobicContact CG-CD2 4.38Å; I782-L789 HydrophobicContact CB-CD1 4.33Å; I782-L789 HydrophobicContact CG2-CD1 3.92Å; E783-L789 HydrophobicContact CB-CB 4.38Å; L789-V952 HydrophobicContact CD2-CG1 3.84Å; L789-S995 PolarHBondContact N-OG 3.01Å; L789-P996 WeakPolarHBondContact O-CD 3.35Å; L789-P996 VanDerWaalsContact O-CG 3.27Å; L789-P996 WeakPolarHBondContact O-CG 3.27Å; L789-Y997 WeakPolarHBondContact O-CD2 3.39Å; L789-Y997 PolarHBondContact O-N 3.35Å; L789-V999 HydrophobicContact CD2-CG2 3.99Å
790	Q	69.5	Low	76	Confident	116 Å²	116	50.8 Å²	50.8	54%	0.542	25%	0.247	S	C	.	.			trans	-76.2	-38.7	-174.1	-66.8	-62.4	-31.5	0	0	112.9	T788	T788-Q790 PolarHBondContact OG1-NE2 3.06Å
791	E	68.6	Low	75.7	Confident	106 Å²	106	51.2 Å²	51.2	50%	0.495	25%	0.249	S	C	.	.			trans	-123.2	133.4	-176.9	-66.3	-176.1	-169	0	0	110.9	K799	E791-K799 IonicContact OE2-NZ 2.75Å; E791-K799 PolarHBondContact OE2-NZ 3Å
792	W	67.3	Low	75.2	Confident	88 Å²	88	55 Å²	55	33%	0.333	27%	0.274	S	S	.	.			trans	-130.4	125.9	166.3	174.6	84.5	0	0	0	109.6	Y779 K794 V952 Y997	Y779-W792 AromaticContact CD2-CD1 3.96Å; Y779-W792 AromaticContact CE2-CD1 3.5Å; Y779-W792 AromaticContact CE2-NE1 3.88Å; Y779-W792 AromaticContact CZ-CD1 3.94Å; W792-K794 HydrophobicContact CH2-CG 4.21Å; W792-K794 HydrophobicContact CZ2-CG 4.22Å; W792-V952 HydrophobicContact CB-CG1 4.12Å; W792-V952 VanDerWaalsContact CD1-CG1 3.49Å; W792-V952 HydrophobicContact CD2-CB 4.49Å; W792-V952 HydrophobicContact CD2-CG1 4.49Å; W792-V952 HydrophobicContact CG-CB 4.11Å; W792-V952 HydrophobicContact CG-CG1 3.77Å; W792-Y997 HydrophobicContact CB-CD1 4.05Å; W792-Y997 HydrophobicContact CB-CD2 4.26Å; W792-Y997 HydrophobicContact CB-CE1 4.14Å; W792-Y997 HydrophobicContact CB-CE2 4.38Å; W792-Y997 HydrophobicContact CB-CG 4.11Å
793	Q	61	Low	74.8	Confident	107 Å²	107	58.9 Å²	58.9	50%	0.5	30%	0.302	S	S	.	.			trans	-140.6	148	174	-72.5	173.8	-22.3	0	0	110.3	Y779 V795	Y779-Q793 PolarHBondContact OH-N 3.49Å; Y779-Q793 PolarHBondContact OH-O 3.23Å; Q793-V795 HydrophobicContact CB-CG2 3.97Å; Q793-V795 PolarHBondContact O-N 3.09Å
794	K	56.7	Low	74.7	Confident	140 Å²	140	58.1 Å²	58.1	61%	0.609	30%	0.298	S	S	*	.			trans	-73.4	84.2	162.3	-69.8	-176.9	-179.2	179.7	0	107.3	W792 H796	W792-K794 HydrophobicContact CH2-CG 4.21Å; W792-K794 HydrophobicContact CZ2-CG 4.22Å; K794-H796 PolarHBondContact O-CD2 3.02Å; K794-H796 PolarHBondContact O-N 2.86Å
795	V	59.5	Low	74.8	Confident	16 Å²	16	57.8 Å²	57.8	10%	0.097	30%	0.298	C	S	.	.			trans	-77.4	121.2	-179.3	-172.6	0	0	0	0	108.7	Q793 G797 K799	Q793-V795 HydrophobicContact CB-CG2 3.97Å; Q793-V795 PolarHBondContact O-N 3.09Å; V795-G797 VanDerWaalsContact CG1-O 3.26Å; V795-G797 WeakPolarHBondContact CG1-O 3.46Å; V795-K799 HydrophobicContact CG1-CB 3.74Å; V795-K799 HydrophobicContact CG1-CD 4.45Å; V795-K799 HydrophobicContact CG2-CB 4.4Å; V795-K799 HydrophobicContact CG2-CD 3.74Å
796	H	58.7	Low	74.6	Confident	94 Å²	94	61.2 Å²	61.2	44%	0.435	33%	0.333	S	S	.	.			trans	-100.7	-10	177.5	-67.3	-72.7	0	0	0	112.5	K794 W820	K794-H796 PolarHBondContact O-CD2 3.02Å; K794-H796 PolarHBondContact O-N 2.86Å; H796-W820 HydrophobicContact CB-CH2 3.67Å; H796-W820 HydrophobicContact CB-CZ2 3.53Å; H796-W820 HydrophobicContact CB-CZ3 4.33Å; H796-W820 AromaticContact CG-CH2 3.94Å; H796-W820 AromaticContact ND1-CE3 3.49Å; H796-W820 AromaticContact ND1-CH2 3.39Å; H796-W820 WeakPolarHBondContact ND1-CH2 3.32Å; H796-W820 AromaticContact ND1-CZ2 3.94Å; H796-W820 AromaticContact ND1-CZ3 3.14Å; H796-W820 WeakPolarHBondContact ND1-CZ3 3.42Å; H796-W820 WeakPolarHBondContact O-CH2 3.28Å; H796-W820 WeakPolarHBondContact O-CZ2 3.09Å
797	G	64	Low	74.7	Confident	35 Å²	35	61.5 Å²	61.5	36%	0.361	35%	0.347	S	S	.	.	S	Bend	trans	-117	-165.8	176.3	0	0	0	0	0	114.1	V795	V795-G797 VanDerWaalsContact CG1-O 3.26Å; V795-G797 WeakPolarHBondContact CG1-O 3.46Å
798	T	76.2	Confident	75.7	Confident	25 Å²	25	61.9 Å²	61.9	15%	0.153	35%	0.347	C	S	.	.			trans	-80.6	123.8	172.6	-49.8	0	0	0	0	110.4	Y813 S814 H835 L836	T798-Y813 CarbonylContact C-O 3.59Å; T798-Y813 WeakPolarHBondContact CA-O 3.48Å; T798-S814 PolarHBondContact OG1-OG 3.25Å; T798-H835 PolarHBondContact OG1-ND1 2.89Å; T798-L836 HydrophobicContact CG2-CD1 4.06Å
799	K	84.8	Confident	76.8	Confident	35 Å²	35	60.7 Å²	60.7	15%	0.152	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	138.2	177.6	-176.3	169.1	179.6	-178.3	0	111.2	E791 V795 Y801 S812 Y813	E791-K799 IonicContact OE2-NZ 2.75Å; E791-K799 PolarHBondContact OE2-NZ 3Å; V795-K799 HydrophobicContact CG1-CB 3.74Å; V795-K799 HydrophobicContact CG1-CD 4.45Å; V795-K799 HydrophobicContact CG2-CB 4.4Å; V795-K799 HydrophobicContact CG2-CD 3.74Å; K799-Y801 HydrophobicContact CB-CE2 4.3Å; K799-Y801 HydrophobicContact CD-CE1 4.11Å; K799-Y801 HydrophobicContact CD-CE2 4.25Å; K799-Y801 HydrophobicContact CG-CE1 4.49Å; K799-Y801 HydrophobicContact CG-CE2 4Å; K799-S812 CarbonylContact O-C 3.54Å; K799-S812 WeakPolarHBondContact O-CA 3.27Å; K799-Y813 PolarHBondContact N-O 2.9Å; K799-Y813 PolarHBondContact O-N 2.76Å
800	L	85.4	Confident	77.6	Confident	74 Å²	74	62.8 Å²	62.8	39%	0.387	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	139.9	175.7	-68.9	164.3	0	0	0	109.9	L810 I811 S812	L800-L810 HydrophobicContact CD2-CD2 4.18Å; L800-I811 CarbonylContact C-O 3.47Å; L800-S812 WeakPolarHBondContact CD2-OG 3.39Å
801	Y	87.1	Confident	78.8	Confident	20 Å²	20	57.2 Å²	57.2	8%	0.078	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	87	175.8	-61	-90.2	0	0	0	108.4	M778 Y779 I782 K799 I811	M778-Y801 HydrophobicContact CE-CE2 3.73Å; M778-Y801 HydrophobicContact SD-CD2 4.31Å; M778-Y801 HydrophobicContact SD-CE2 3.85Å; Y779-Y801 PolarHBondContact OH-OH 3.28Å; I782-Y801 HydrophobicContact CD1-CD1 4.21Å; I782-Y801 HydrophobicContact CD1-CD2 4.38Å; I782-Y801 HydrophobicContact CD1-CE1 4.47Å; I782-Y801 HydrophobicContact CD1-CG 4.16Å; K799-Y801 HydrophobicContact CB-CE2 4.3Å; K799-Y801 HydrophobicContact CD-CE1 4.11Å; K799-Y801 HydrophobicContact CD-CE2 4.25Å; K799-Y801 HydrophobicContact CG-CE1 4.49Å; K799-Y801 HydrophobicContact CG-CE2 4Å; Y801-I811 HydrophobicContact CD2-CG2 4.42Å; Y801-I811 PolarHBondContact N-O 3.23Å; Y801-I811 PolarHBondContact O-N 3.4Å
802	P	82.3	Confident	80	Confident	80 Å²	80	52.2 Å²	52.2	52%	0.519	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	-24.2	-174.5	30	-34.7	0	0	0	113.4	V804	P802-V804 VanDerWaalsContact C-N 3.32Å; P802-V804 PolarHBondContact O-N 2.96Å
803	S	82.7	Confident	81.2	Confident	91 Å²	91	48 Å²	48	64%	0.636	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.8	22	-171.5	-49.5	0	0	0	0	114.3	N786	N786-S803 PolarHBondContact ND2-O 3.02Å
804	V	88.1	Confident	82.7	Confident	4 Å²	4	43 Å²	43	2%	0.024	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	143.6	-179.1	-173.7	0	0	0	0	110.2	I782 L785 P802 G806 G807 K808 T809 I811	I782-V804 HydrophobicContact CG1-CG2 4.16Å; I782-V804 HydrophobicContact CG2-CG2 4.43Å; L785-V804 HydrophobicContact CB-CG1 4.06Å; L785-V804 HydrophobicContact CD1-CG1 3.6Å; P802-V804 VanDerWaalsContact C-N 3.32Å; P802-V804 PolarHBondContact O-N 2.96Å; V804-G806 VanDerWaalsContact C-N 3.3Å; V804-G806 PolarHBondContact O-N 3.34Å; V804-G807 PolarHBondContact O-N 2.94Å; V804-K808 PolarHBondContact O-N 3.21Å; V804-T809 WeakPolarHBondContact CB-O 3.46Å; V804-T809 PolarHBondContact O-N 3.38Å; V804-T809 VanDerWaalsContact O-N 3.12Å; V804-I811 HydrophobicContact CB-CD1 4.41Å; V804-I811 HydrophobicContact CG1-CD1 3.99Å; V804-I811 HydrophobicContact CG2-CD1 4.24Å; V804-I811 HydrophobicContact CG2-CG1 4.38Å
805	N	90.3	Very high	84.3	Confident	9 Å²	9	37.6 Å²	37.6	5%	0.048	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	41.8	-177	-167.1	16.6	0	0	0	112.6	Q758 L785 N786 G807 K808 T809	Q758-N805 WeakPolarHBondContact CB-OD1 3.49Å; Q758-N805 VanDerWaalsContact CG-OD1 3.24Å; Q758-N805 WeakPolarHBondContact CG-OD1 3.21Å; Q758-N805 PolarHBondContact O-ND2 3.15Å; L785-N805 HydrophobicContact CD1-CB 4.42Å; L785-N805 HydrophobicContact CD2-CB 4.33Å; N786-N805 PolarHBondContact OD1-N 2.92Å; N805-G807 VanDerWaalsContact C-N 3.3Å; N805-G807 PolarHBondContact O-N 2.76Å; N805-K808 HydrophobicContact CB-CB 4.44Å; N805-K808 VanDerWaalsContact O-CB 3.31Å; N805-K808 WeakPolarHBondContact O-CB 3.44Å; N805-K808 WeakPolarHBondContact O-CG 3.29Å; N805-K808 PolarHBondContact O-N 3.28Å; N805-T809 VanDerWaalsContact CB-OG1 3.26Å; N805-T809 WeakPolarHBondContact CB-OG1 3.44Å; N805-T809 PolarHBondContact ND2-OG1 2.74Å
806	G	84.1	Confident	85.8	Confident	72 Å²	72	38.2 Å²	38.2	74%	0.742	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.4	33.8	-174.9	0	0	0	0	0	113.5	V804 K808	V804-G806 VanDerWaalsContact C-N 3.3Å; V804-G806 PolarHBondContact O-N 3.34Å; G806-K808 VanDerWaalsContact C-N 3.32Å
807	G	87.3	Confident	87.2	Confident	51 Å²	51	34.4 Å²	34.4	53%	0.526	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	81	6.8	-177.9	0	0	0	0	0	114.7	V804 N805	V804-G807 PolarHBondContact O-N 2.94Å; N805-G807 VanDerWaalsContact C-N 3.3Å; N805-G807 PolarHBondContact O-N 2.76Å
808	K	90.9	Very high	88.1	Confident	107 Å²	107	34.5 Å²	34.5	47%	0.465	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-10.9	-177.6	-60.3	173.5	-175.9	170.8	0	113.5	R762 G763 V804 N805 G806	R762-K808 HydrophobicContact CG-CB 4.29Å; R762-K808 HydrophobicContact CG-CD 4.26Å; G763-K808 VanDerWaalsContact CA-O 3.31Å; G763-K808 WeakPolarHBondContact CA-O 3.3Å; G763-K808 PolarHBondContact N-O 3.21Å; V804-K808 PolarHBondContact O-N 3.21Å; N805-K808 HydrophobicContact CB-CB 4.44Å; N805-K808 VanDerWaalsContact O-CB 3.31Å; N805-K808 WeakPolarHBondContact O-CB 3.44Å; N805-K808 WeakPolarHBondContact O-CG 3.29Å; N805-K808 PolarHBondContact O-N 3.28Å; G806-K808 VanDerWaalsContact C-N 3.32Å
809	T	92.6	Very high	88.1	Confident	2 Å²	2	38.4 Å²	38.4	1%	0.012	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	127	-179.4	-54.3	0	0	0	0	108.1	L761 I766 L785 V804 N805 I811	L761-T809 HydrophobicContact CB-CG2 4.33Å; L761-T809 PolarHBondContact O-OG1 2.82Å; I766-T809 HydrophobicContact CD1-CG2 3.81Å; I766-T809 HydrophobicContact CG1-CG2 4.26Å; L785-T809 HydrophobicContact CD1-CG2 4.47Å; V804-T809 WeakPolarHBondContact CB-O 3.46Å; V804-T809 PolarHBondContact O-N 3.38Å; V804-T809 VanDerWaalsContact O-N 3.12Å; N805-T809 VanDerWaalsContact CB-OG1 3.26Å; N805-T809 WeakPolarHBondContact CB-OG1 3.44Å; N805-T809 PolarHBondContact ND2-OG1 2.74Å; T809-I811 HydrophobicContact CG2-CG1 4.36Å
810	L	92.8	Very high	87.7	Confident	46 Å²	46	42.5 Å²	42.5	24%	0.241	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	128.1	177.5	-178.9	142.1	0	0	0	109.3	R764 K765 I766 L800	R764-L810 PolarHBondContact O-N 3.48Å; R764-L810 VanDerWaalsContact O-N 3.15Å; K765-L810 CarbonylContact C-O 3.52Å; K765-L810 WeakPolarHBondContact CA-O 3.44Å; K765-L810 HydrophobicContact CD-CD2 4.47Å; K765-L810 HydrophobicContact CG-CB 4.3Å; K765-L810 HydrophobicContact CG-CD2 4.4Å; I766-L810 PolarHBondContact N-O 2.87Å; L800-L810 HydrophobicContact CD2-CD2 4.18Å
811	I	94.3	Very high	87.5	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	132.6	175.8	-57	-174.5	0	0	0	109.6	I766 F768 M778 L781 I782 L800 Y801 V804 T809	I766-I811 HydrophobicContact CB-CG1 4.25Å; I766-I811 HydrophobicContact CD1-CG1 4.43Å; I766-I811 CarbonylContact O-C 3.59Å; I766-I811 VanDerWaalsContact O-CA 3.28Å; I766-I811 WeakPolarHBondContact O-CA 3.21Å; F768-I811 HydrophobicContact CD2-CG2 3.95Å; F768-I811 HydrophobicContact CE2-CG2 4.07Å; M778-I811 HydrophobicContact CG-CG2 3.77Å; M778-I811 HydrophobicContact SD-CG2 3.93Å; L781-I811 HydrophobicContact CD2-CD1 3.79Å; L781-I811 HydrophobicContact CG-CD1 4.12Å; I782-I811 HydrophobicContact CD1-CD1 4.42Å; I782-I811 HydrophobicContact CG1-CD1 3.73Å; L800-I811 CarbonylContact C-O 3.47Å; Y801-I811 HydrophobicContact CD2-CG2 4.42Å; Y801-I811 PolarHBondContact N-O 3.23Å; Y801-I811 PolarHBondContact O-N 3.4Å; V804-I811 HydrophobicContact CB-CD1 4.41Å; V804-I811 HydrophobicContact CG1-CD1 3.99Å; V804-I811 HydrophobicContact CG2-CD1 4.24Å; V804-I811 HydrophobicContact CG2-CG1 4.38Å; T809-I811 HydrophobicContact CG2-CG1 4.36Å
812	S	93.5	Very high	87.2	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	141.3	174.6	-166.9	0	0	0	0	109.3	I766 L767 F768 K799 L800 L836 S840	I766-S812 PolarHBondContact O-N 3.09Å; L767-S812 CarbonylContact C-O 3.51Å; F768-S812 PolarHBondContact N-O 2.9Å; K799-S812 CarbonylContact O-C 3.54Å; K799-S812 WeakPolarHBondContact O-CA 3.27Å; L800-S812 WeakPolarHBondContact CD2-OG 3.39Å; S812-L836 WeakPolarHBondContact OG-CD1 3.5Å; S812-S840 WeakPolarHBondContact CB-OG 3.44Å; S812-S840 PolarHBondContact OG-OG 3.38Å; S812-S840 VanDerWaalsContact OG-OG 3.11Å
813	Y	92.9	Very high	87	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	135	178.1	173.6	-95.1	0	0	0	111.2	F768 G770 D771 R775 M778 T798 K799 Y815	F768-Y813 HydrophobicContact CB-CD2 3.65Å; F768-Y813 HydrophobicContact CB-CE2 4.48Å; F768-Y813 HydrophobicContact CB-CG 4.49Å; F768-Y813 CarbonylContact O-C 3.51Å; F768-Y813 VanDerWaalsContact O-CA 3.32Å; F768-Y813 WeakPolarHBondContact O-CA 3.37Å; G770-Y813 PolarHBondContact O-OH 3.19Å; D771-Y813 PolarHBondContact O-OH 2.89Å; R775-Y813 HydrophobicContact CB-CD2 4.39Å; R775-Y813 HydrophobicContact CB-CE1 4.36Å; R775-Y813 HydrophobicContact CB-CE2 3.65Å; R775-Y813 HydrophobicContact CG-CD2 4.45Å; R775-Y813 HydrophobicContact CG-CE1 4.17Å; R775-Y813 HydrophobicContact CG-CE2 4.09Å; M778-Y813 VanDerWaalsContact SD-CB 3.52Å; M778-Y813 HydrophobicContact SD-CD2 4.09Å; M778-Y813 HydrophobicContact SD-CG 3.99Å; T798-Y813 CarbonylContact C-O 3.59Å; T798-Y813 WeakPolarHBondContact CA-O 3.48Å; K799-Y813 PolarHBondContact N-O 2.9Å; K799-Y813 PolarHBondContact O-N 2.76Å; Y813-Y815 HydrophobicContact CE1-CD2 4.26Å; Y813-Y815 WeakPolarHBondContact OH-CD2 3.49Å
814	S	92.8	Very high	87	Confident	2 Å²	2	44.6 Å²	44.6	1%	0.014	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	127.1	172.4	-161.4	0	0	0	0	110.9	F768 I769 G770 T798	F768-S814 PolarHBondContact O-N 3.22Å; I769-S814 WeakPolarHBondContact CA-O 3.5Å; G770-S814 PolarHBondContact N-O 3.29Å; G770-S814 VanDerWaalsContact N-O 3.08Å; T798-S814 PolarHBondContact OG1-OG 3.25Å
815	Y	90.8	Very high	86.9	Confident	27 Å²	27	50.6 Å²	50.6	11%	0.106	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	127.9	178	-163.4	-80	0	0	0	111.2	G770 R775 Y813 P817 F819 W820	G770-Y815 WeakPolarHBondContact O-CA 3.39Å; R775-Y815 VanDerWaalsContact NH1-CE2 3.3Å; Y813-Y815 HydrophobicContact CE1-CD2 4.26Å; Y813-Y815 WeakPolarHBondContact OH-CD2 3.49Å; Y815-P817 WeakPolarHBondContact CD1-O 3.48Å; Y815-P817 WeakPolarHBondContact CE1-O 3.38Å; Y815-F819 HydrophobicContact CE1-CD2 4.2Å; Y815-F819 HydrophobicContact CE1-CE2 4.46Å; Y815-W820 AromaticContact CD1-CH2 3.4Å; Y815-W820 HydrophobicContact CD1-CH2 3.4Å; Y815-W820 VanDerWaalsContact CD1-CH2 3.4Å; Y815-W820 AromaticContact CD1-CZ3 3.52Å; Y815-W820 HydrophobicContact CD1-CZ3 3.52Å; Y815-W820 HydrophobicContact CE1-CH2 4.02Å; Y815-W820 AromaticContact CE1-CZ3 3.62Å; Y815-W820 HydrophobicContact CE1-CZ3 3.62Å; Y815-W820 AromaticContact CG-CH2 3.81Å; Y815-W820 HydrophobicContact CG-CH2 3.81Å; Y815-W820 HydrophobicContact CG-CZ3 4.17Å
816	Y	90.2	Very high	86.7	Confident	28 Å²	28	54.4 Å²	54.4	11%	0.11	31%	0.307	C	S	.	.			trans	-147.8	141.2	174	-174.4	-91.6	0	0	0	111.9	G770 D771 F829 A832 W858	G770-Y816 CarbonylContact C-O 3.57Å; G770-Y816 PolarHBondContact O-N 3.07Å; D771-Y816 PolarHBondContact N-O 2.95Å; Y816-F829 AromaticContact CD1-CD2 3.73Å; Y816-F829 HydrophobicContact CD1-CD2 3.73Å; Y816-F829 HydrophobicContact CD1-CE2 4.47Å; Y816-F829 HydrophobicContact CE1-CB 3.9Å; Y816-F829 AromaticContact CE1-CD2 3.65Å; Y816-F829 HydrophobicContact CE1-CD2 3.65Å; Y816-F829 HydrophobicContact CE1-CG 4.21Å; Y816-F829 HydrophobicContact CE2-CB 4.19Å; Y816-F829 HydrophobicContact CG-CD2 4.23Å; Y816-F829 PolarHBondContact OH-N 3.39Å; Y816-A832 HydrophobicContact CD2-CB 3.8Å; Y816-A832 HydrophobicContact CE2-CB 4.29Å; Y816-W858 HydrophobicContact CD1-CD2 4.06Å; Y816-W858 AromaticContact CD1-CE2 3.97Å; Y816-W858 AromaticContact CD1-CE3 3.86Å; Y816-W858 HydrophobicContact CD1-CE3 3.86Å; Y816-W858 AromaticContact CD1-CH2 3.58Å; Y816-W858 HydrophobicContact CD1-CH2 3.58Å; Y816-W858 AromaticContact CD1-CZ2 3.76Å; Y816-W858 HydrophobicContact CD1-CZ2 3.76Å; Y816-W858 AromaticContact CD1-CZ3 3.62Å; Y816-W858 HydrophobicContact CD1-CZ3 3.62Å; Y816-W858 HydrophobicContact CE1-CD2 4.13Å; Y816-W858 AromaticContact CE1-CE3 3.63Å; Y816-W858 HydrophobicContact CE1-CE3 3.63Å; Y816-W858 HydrophobicContact CE1-CH2 4.08Å; Y816-W858 AromaticContact CE1-CZ3 3.6Å; Y816-W858 HydrophobicContact CE1-CZ3 3.6Å; Y816-W858 PolarHBondContact O-NE1 3.29Å
817	P	87.4	Confident	86.9	Confident	15 Å²	15	52.7 Å²	52.7	10%	0.097	28%	0.283	C	S	.	.	S	Bend	cis	-71.7	152.1	-10.9	-18.5	29.1	0	0	0	113.3	Y815 F819 W858	Y815-P817 WeakPolarHBondContact CD1-O 3.48Å; Y815-P817 WeakPolarHBondContact CE1-O 3.38Å; P817-F819 HydrophobicContact CB-CD1 4.44Å; P817-F819 HydrophobicContact CB-CE1 4.05Å; P817-F819 HydrophobicContact CB-CE2 4.29Å; P817-F819 HydrophobicContact CB-CZ 3.97Å; P817-F819 HydrophobicContact CG-CE1 4.09Å; P817-F819 HydrophobicContact CG-CE2 4.31Å; P817-F819 HydrophobicContact CG-CZ 3.74Å; P817-F819 WeakPolarHBondContact O-CD2 3.12Å; P817-F819 WeakPolarHBondContact O-CE2 3.15Å; P817-F819 PolarHBondContact O-N 3.31Å; P817-W858 VanDerWaalsContact CD-CG 3.49Å; P817-W858 VanDerWaalsContact CD-NE1 3.29Å; P817-W858 HydrophobicContact CG-CB 4.06Å; P817-W858 HydrophobicContact CG-CD2 4.08Å; P817-W858 HydrophobicContact CG-CG 3.75Å
818	Q	83.6	Confident	87.1	Confident	37 Å²	37	53.9 Å²	53.9	17%	0.173	28%	0.28	C	S	.	.			trans	-82.3	80.4	176.9	-61.9	-174.9	12.4	0	0	110.8	W820 I821 R826	Q818-W820 HydrophobicContact CB-CD2 4.41Å; Q818-W820 HydrophobicContact CB-CH2 3.96Å; Q818-W820 HydrophobicContact CB-CZ2 3.55Å; Q818-W820 HydrophobicContact CG-CH2 3.83Å; Q818-W820 HydrophobicContact CG-CZ2 3.51Å; Q818-W820 PolarHBondContact O-N 2.88Å; Q818-W820 VanDerWaalsContact O-N 3.13Å; Q818-I821 HydrophobicContact CB-CD1 4.08Å; Q818-I821 HydrophobicContact CB-CG1 4.2Å; Q818-I821 PolarHBondContact O-N 3.34Å; Q818-I821 VanDerWaalsContact O-N 3.08Å; Q818-R826 PolarHBondContact O-NE 3.01Å
819	F	76.2	Confident	87.2	Confident	107 Å²	107	49 Å²	49	47%	0.469	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-22.1	-171.9	-63.8	-73.2	0	0	0	114.8	Y815 P817 I821 R826	Y815-F819 HydrophobicContact CE1-CD2 4.2Å; Y815-F819 HydrophobicContact CE1-CE2 4.46Å; P817-F819 HydrophobicContact CB-CD1 4.44Å; P817-F819 HydrophobicContact CB-CE1 4.05Å; P817-F819 HydrophobicContact CB-CE2 4.29Å; P817-F819 HydrophobicContact CB-CZ 3.97Å; P817-F819 HydrophobicContact CG-CE1 4.09Å; P817-F819 HydrophobicContact CG-CE2 4.31Å; P817-F819 HydrophobicContact CG-CZ 3.74Å; P817-F819 WeakPolarHBondContact O-CD2 3.12Å; P817-F819 WeakPolarHBondContact O-CE2 3.15Å; P817-F819 PolarHBondContact O-N 3.31Å; F819-I821 VanDerWaalsContact C-N 3.32Å; F819-R826 PolarHBondContact O-NH2 3.16Å
820	W	76.4	Confident	87.3	Confident	120 Å²	120	52 Å²	52	46%	0.455	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-11.8	177.6	57.6	86.9	0	0	0	114	H796 Y815 Q818	H796-W820 HydrophobicContact CB-CH2 3.67Å; H796-W820 HydrophobicContact CB-CZ2 3.53Å; H796-W820 HydrophobicContact CB-CZ3 4.33Å; H796-W820 AromaticContact CG-CH2 3.94Å; H796-W820 AromaticContact ND1-CE3 3.49Å; H796-W820 AromaticContact ND1-CH2 3.39Å; H796-W820 WeakPolarHBondContact ND1-CH2 3.32Å; H796-W820 AromaticContact ND1-CZ2 3.94Å; H796-W820 AromaticContact ND1-CZ3 3.14Å; H796-W820 WeakPolarHBondContact ND1-CZ3 3.42Å; H796-W820 WeakPolarHBondContact O-CH2 3.28Å; H796-W820 WeakPolarHBondContact O-CZ2 3.09Å; Y815-W820 AromaticContact CD1-CH2 3.4Å; Y815-W820 HydrophobicContact CD1-CH2 3.4Å; Y815-W820 VanDerWaalsContact CD1-CH2 3.4Å; Y815-W820 AromaticContact CD1-CZ3 3.52Å; Y815-W820 HydrophobicContact CD1-CZ3 3.52Å; Y815-W820 HydrophobicContact CE1-CH2 4.02Å; Y815-W820 AromaticContact CE1-CZ3 3.62Å; Y815-W820 HydrophobicContact CE1-CZ3 3.62Å; Y815-W820 AromaticContact CG-CH2 3.81Å; Y815-W820 HydrophobicContact CG-CH2 3.81Å; Y815-W820 HydrophobicContact CG-CZ3 4.17Å; Q818-W820 HydrophobicContact CB-CD2 4.41Å; Q818-W820 HydrophobicContact CB-CH2 3.96Å; Q818-W820 HydrophobicContact CB-CZ2 3.55Å; Q818-W820 HydrophobicContact CG-CH2 3.83Å; Q818-W820 HydrophobicContact CG-CZ2 3.51Å; Q818-W820 PolarHBondContact O-N 2.88Å; Q818-W820 VanDerWaalsContact O-N 3.13Å
821	I	81.8	Confident	87.4	Confident	47 Å²	47	56.3 Å²	56.3	24%	0.241	29%	0.29	C	S	.	.	S	Bend	trans	-89	146.9	173.4	-58.1	-173.9	0	0	0	108.6	Q818 F819 L825 R826	Q818-I821 HydrophobicContact CB-CD1 4.08Å; Q818-I821 HydrophobicContact CB-CG1 4.2Å; Q818-I821 PolarHBondContact O-N 3.34Å; Q818-I821 VanDerWaalsContact O-N 3.08Å; F819-I821 VanDerWaalsContact C-N 3.32Å; I821-L825 HydrophobicContact CG2-CB 3.57Å; I821-R826 HydrophobicContact CB-CG 3.89Å; I821-R826 HydrophobicContact CG2-CG 4.07Å; I821-R826 VanDerWaalsContact O-CZ 3.29Å; I821-R826 PolarHBondContact O-NE 2.88Å; I821-R826 PolarHBondContact O-NH2 2.99Å
822	S	79.5	Confident	87.3	Confident	51 Å²	51	56.6 Å²	56.6	36%	0.357	29%	0.292	S	S	.	.			trans	-61.8	144.2	174.9	59.9	0	0	0	0	111	S824 L825 R826	S822-S824 PolarHBondContact O-N 2.87Å; S822-L825 PolarHBondContact O-N 2.89Å; S822-L825 WeakPolarHBondContact OG-CD1 3.21Å; S822-L825 WeakPolarHBondContact OG-CG 3.49Å; S822-R826 WeakPolarHBondContact O-CG 3.27Å; S822-R826 PolarHBondContact O-N 3.35Å; S822-R826 VanDerWaalsContact O-N 3.08Å
823	P	79.9	Confident	87.4	Confident	102 Å²	102	56.6 Å²	56.6	66%	0.662	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	-35	-176.2	-29.3	35.2	0	0	0	115
824	S	82.6	Confident	87.5	Confident	110 Å²	110	58.5 Å²	58.5	77%	0.769	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-24.7	178.6	52.5	0	0	0	0	114.5	S822	S822-S824 PolarHBondContact O-N 2.87Å
825	L	85.3	Confident	87.5	Confident	130 Å²	130	62.1 Å²	62.1	68%	0.681	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.2	-7.6	-179.6	-63.4	177.8	0	0	0	112.8	I821 S822	I821-L825 HydrophobicContact CG2-CB 3.57Å; S822-L825 PolarHBondContact O-N 2.89Å; S822-L825 WeakPolarHBondContact OG-CD1 3.21Å; S822-L825 WeakPolarHBondContact OG-CG 3.49Å
826	R	85.2	Confident	87.7	Confident	88 Å²	88	60.8 Å²	60.8	33%	0.332	31%	0.313	S	S	.	.	S	Bend	trans	-64.1	133.2	179.5	-77.8	175.3	-163.9	165.7	5.9	110	Q818 F819 I821 S822	Q818-R826 PolarHBondContact O-NE 3.01Å; F819-R826 PolarHBondContact O-NH2 3.16Å; I821-R826 HydrophobicContact CB-CG 3.89Å; I821-R826 HydrophobicContact CG2-CG 4.07Å; I821-R826 VanDerWaalsContact O-CZ 3.29Å; I821-R826 PolarHBondContact O-NE 2.88Å; I821-R826 PolarHBondContact O-NH2 2.99Å; S822-R826 WeakPolarHBondContact O-CG 3.27Å; S822-R826 PolarHBondContact O-N 3.35Å; S822-R826 VanDerWaalsContact O-N 3.08Å
827	P	88.3	Confident	88	Confident	36 Å²	36	59.5 Å²	59.5	23%	0.234	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-62.1	142.6	171.2	26.9	-33.2	0	0	0	109.8	K831	P827-K831 HydrophobicContact CB-CB 4.43Å
828	T	91.7	Very high	88.3	Confident	77 Å²	77	64.2 Å²	64.2	47%	0.472	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-64.6	157.5	168.7	60.8	0	0	0	0	109.6	E830 K831 A832	T828-E830 PolarHBondContact O-N 3.47Å; T828-K831 PolarHBondContact O-N 3.39Å; T828-K831 WeakPolarHBondContact OG1-CG 3.21Å; T828-K831 PolarHBondContact OG1-N 3.14Å; T828-A832 PolarHBondContact O-N 3.33Å
829	F	93.9	Very high	88.6	Confident	5 Å²	5	68.9 Å²	68.9	2%	0.022	34%	0.344	C	S	.	.	H	α-helix	trans	-56.5	-40.5	176.1	177.1	-105.5	0	0	0	112	I769 Y816 A832 L833 V853 W858 H863 I866 I867	I769-F829 HydrophobicContact CD1-CD2 4.35Å; I769-F829 HydrophobicContact CD1-CE2 3.92Å; I769-F829 HydrophobicContact CG1-CE2 4.31Å; Y816-F829 AromaticContact CD1-CD2 3.73Å; Y816-F829 HydrophobicContact CD1-CD2 3.73Å; Y816-F829 HydrophobicContact CD1-CE2 4.47Å; Y816-F829 HydrophobicContact CE1-CB 3.9Å; Y816-F829 AromaticContact CE1-CD2 3.65Å; Y816-F829 HydrophobicContact CE1-CD2 3.65Å; Y816-F829 HydrophobicContact CE1-CG 4.21Å; Y816-F829 HydrophobicContact CE2-CB 4.19Å; Y816-F829 HydrophobicContact CG-CD2 4.23Å; Y816-F829 PolarHBondContact OH-N 3.39Å; F829-A832 PolarHBondContact O-N 3.17Å; F829-L833 HydrophobicContact CE1-CD2 4.25Å; F829-L833 HydrophobicContact CZ-CD2 4.45Å; F829-L833 WeakPolarHBondContact O-CB 3.35Å; F829-L833 PolarHBondContact O-N 3.22Å; F829-V853 HydrophobicContact CE2-CG1 4.07Å; F829-V853 HydrophobicContact CZ-CG1 3.88Å; F829-W858 HydrophobicContact CD2-CH2 4.07Å; F829-W858 AromaticContact CD2-CZ3 3.92Å; F829-W858 HydrophobicContact CD2-CZ3 3.92Å; F829-W858 AromaticContact CE2-CH2 3.85Å; F829-W858 HydrophobicContact CE2-CH2 3.85Å; F829-W858 HydrophobicContact CE2-CZ3 4.05Å; F829-H863 HydrophobicContact CD1-CB 4.36Å; F829-H863 AromaticContact CD1-CD2 3.76Å; F829-H863 HydrophobicContact CE1-CB 4.36Å; F829-H863 AromaticContact CG-CD2 3.58Å; F829-I866 HydrophobicContact CD1-CB 4.11Å; F829-I866 HydrophobicContact CD1-CD1 4.47Å; F829-I866 HydrophobicContact CD1-CG2 3.78Å; F829-I866 HydrophobicContact CE1-CB 4.44Å; F829-I866 HydrophobicContact CE1-CG2 4.22Å; F829-I867 HydrophobicContact CE1-CD1 4.4Å; F829-I867 HydrophobicContact CE1-CG1 3.62Å; F829-I867 HydrophobicContact CZ-CD1 4.22Å; F829-I867 HydrophobicContact CZ-CG1 3.8Å
830	E	95.3	Very high	89.4	Confident	64 Å²	64	63.9 Å²	63.9	30%	0.299	32%	0.323	S	S	.	.	H	α-helix	trans	-54.3	-54.8	175.2	-177	165.4	-173.6	0	0	111.7	T828 A832 L833 E834 I866 V870 R873	T828-E830 PolarHBondContact O-N 3.47Å; E830-A832 VanDerWaalsContact C-N 3.3Å; E830-A832 PolarHBondContact O-N 3.35Å; E830-L833 PolarHBondContact O-N 3.12Å; E830-L833 VanDerWaalsContact O-N 3.16Å; E830-E834 WeakPolarHBondContact O-CG 3.45Å; E830-E834 PolarHBondContact O-N 3.14Å; E830-I866 HydrophobicContact CB-CG2 3.69Å; E830-I866 HydrophobicContact CG-CG2 4.18Å; E830-V870 HydrophobicContact CG-CG2 3.7Å; E830-R873 IonicContact OE1-CZ 3.68Å; E830-R873 IonicContact OE1-NH1 2.57Å; E830-R873 PolarHBondContact OE1-NH1 3.45Å; E830-R873 IonicContact OE1-NH2 3.14Å; E830-R873 PolarHBondContact OE1-NH2 3.16Å
831	K	93.3	Very high	90	Very high	136 Å²	136	62.6 Å²	62.6	59%	0.591	32%	0.322	S	S	*	.	H	α-helix	trans	-61.1	-38.3	179.2	-72.8	-176.7	175.6	-174.8	0	112.7	P827 T828 E834 H835	P827-K831 HydrophobicContact CB-CB 4.43Å; T828-K831 PolarHBondContact O-N 3.39Å; T828-K831 WeakPolarHBondContact OG1-CG 3.21Å; T828-K831 PolarHBondContact OG1-N 3.14Å; K831-E834 WeakPolarHBondContact CA-OE2 3.08Å; K831-H835 VanDerWaalsContact O-CB 3.28Å; K831-H835 WeakPolarHBondContact O-CB 3.01Å; K831-H835 PolarHBondContact O-N 3.13Å
832	A	93.3	Very high	90.6	Very high	7 Å²	7	65.2 Å²	65.2	6%	0.058	34%	0.342	C	S	.	.	H	α-helix	trans	-66.8	-38.4	178.1	0	0	0	0	0	112.1	I769 Y816 T828 F829 E830 L836	I769-A832 HydrophobicContact CD1-CB 4.05Å; Y816-A832 HydrophobicContact CD2-CB 3.8Å; Y816-A832 HydrophobicContact CE2-CB 4.29Å; T828-A832 PolarHBondContact O-N 3.33Å; F829-A832 PolarHBondContact O-N 3.17Å; E830-A832 VanDerWaalsContact C-N 3.3Å; E830-A832 PolarHBondContact O-N 3.35Å; A832-L836 PolarHBondContact O-N 3.47Å; A832-L836 VanDerWaalsContact O-N 3.13Å
833	L	95.8	Very high	91.3	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-68.5	-47.4	175.4	178.5	59.5	0	0	0	111.3	I769 F829 E830 H835 L836 L837 L851 I867 V870	I769-L833 HydrophobicContact CD1-CB 4.28Å; I769-L833 HydrophobicContact CG2-CD1 4.4Å; F829-L833 HydrophobicContact CE1-CD2 4.25Å; F829-L833 HydrophobicContact CZ-CD2 4.45Å; F829-L833 WeakPolarHBondContact O-CB 3.35Å; F829-L833 PolarHBondContact O-N 3.22Å; E830-L833 PolarHBondContact O-N 3.12Å; E830-L833 VanDerWaalsContact O-N 3.16Å; L833-H835 VanDerWaalsContact C-N 3.34Å; L833-H835 PolarHBondContact O-N 2.72Å; L833-L836 WeakPolarHBondContact O-CB 3.5Å; L833-L836 PolarHBondContact O-N 3.43Å; L833-L836 VanDerWaalsContact O-N 3.15Å; L833-L837 HydrophobicContact CD1-CD1 4.42Å; L833-L837 HydrophobicContact CD1-CG 4.33Å; L833-L837 HydrophobicContact CG-CD1 4.27Å; L833-L837 WeakPolarHBondContact O-CG 3.16Å; L833-L837 PolarHBondContact O-N 2.87Å; L833-L851 HydrophobicContact CD1-CD1 4.04Å; L833-L851 HydrophobicContact CD1-CD2 3.93Å; L833-I867 HydrophobicContact CD2-CB 4.41Å; L833-I867 HydrophobicContact CD2-CG1 4.2Å; L833-V870 HydrophobicContact CD2-CB 3.89Å; L833-V870 HydrophobicContact CD2-CG1 3.96Å; L833-V870 HydrophobicContact CD2-CG2 4.14Å; L833-V870 HydrophobicContact CG-CG1 4.07Å
834	E	95.1	Very high	91.9	Very high	40 Å²	40	64.7 Å²	64.7	19%	0.187	33%	0.326	C	S	.	.	H	α-helix	trans	-56.1	-48.5	175.6	-70.6	174.8	135	0	0	111.5	E830 K831 L836 L837 Q838 V870 R873	E830-E834 WeakPolarHBondContact O-CG 3.45Å; E830-E834 PolarHBondContact O-N 3.14Å; K831-E834 WeakPolarHBondContact CA-OE2 3.08Å; E834-L836 VanDerWaalsContact C-N 3.29Å; E834-L836 PolarHBondContact O-N 3.37Å; E834-L837 PolarHBondContact O-N 2.86Å; E834-Q838 WeakPolarHBondContact O-CB 3.27Å; E834-Q838 VanDerWaalsContact O-CG 3.29Å; E834-Q838 WeakPolarHBondContact O-CG 3.46Å; E834-Q838 PolarHBondContact O-N 3.1Å; E834-V870 HydrophobicContact CG-CG1 4.04Å; E834-R873 IonicContact OE1-CZ 2.76Å; E834-R873 IonicContact OE1-NE 2.85Å; E834-R873 IonicContact OE1-NH1 3.38Å; E834-R873 IonicContact OE1-NH2 3.62Å; E834-R873 PolarHBondContact OE1-NH2 3Å
835	H	92.9	Very high	92.5	Very high	77 Å²	77	62.2 Å²	62.2	36%	0.356	30%	0.304	S	S	.	.	H	α-helix	trans	-62.2	-35.8	178.8	178.8	-96.5	0	0	0	112.3	T798 K831 L833 R839	T798-H835 PolarHBondContact OG1-ND1 2.89Å; K831-H835 VanDerWaalsContact O-CB 3.28Å; K831-H835 WeakPolarHBondContact O-CB 3.01Å; K831-H835 PolarHBondContact O-N 3.13Å; L833-H835 VanDerWaalsContact C-N 3.34Å; L833-H835 PolarHBondContact O-N 2.72Å; H835-R839 WeakPolarHBondContact CE1-CD 3.36Å; H835-R839 WeakPolarHBondContact NE2-CD 3.21Å; H835-R839 WeakPolarHBondContact O-CB 3.3Å; H835-R839 VanDerWaalsContact O-CG 3.29Å; H835-R839 WeakPolarHBondContact O-CG 3.48Å; H835-R839 PolarHBondContact O-N 3.28Å; H835-R839 VanDerWaalsContact O-N 3.09Å
836	L	94.9	Very high	93	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-65.3	-46.4	173.6	173.2	61.9	0	0	0	111.7	L767 F768 I769 T798 S812 A832 L833 E834 S840 L851	L767-L836 HydrophobicContact CB-CD2 4.16Å; L767-L836 HydrophobicContact CB-CG 4.44Å; F768-L836 WeakPolarHBondContact O-CD2 2.85Å; I769-L836 HydrophobicContact CB-CD2 3.72Å; I769-L836 HydrophobicContact CG2-CD2 4.18Å; T798-L836 HydrophobicContact CG2-CD1 4.06Å; S812-L836 WeakPolarHBondContact OG-CD1 3.5Å; A832-L836 PolarHBondContact O-N 3.47Å; A832-L836 VanDerWaalsContact O-N 3.13Å; L833-L836 WeakPolarHBondContact O-CB 3.5Å; L833-L836 PolarHBondContact O-N 3.43Å; L833-L836 VanDerWaalsContact O-N 3.15Å; E834-L836 VanDerWaalsContact C-N 3.29Å; E834-L836 PolarHBondContact O-N 3.37Å; L836-S840 VanDerWaalsContact O-CB 3.32Å; L836-S840 WeakPolarHBondContact O-CB 3.34Å; L836-S840 PolarHBondContact O-N 3.24Å; L836-S840 PolarHBondContact O-OG 2.92Å; L836-L851 HydrophobicContact CD2-CD1 4.4Å
837	L	95.4	Very high	93.2	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-61.8	-49.6	178.5	-65.7	174.1	0	0	0	110.5	L767 L833 E834 R839 S840 H841 L843 V870 L871 E874 L876	L767-L837 HydrophobicContact CD1-CD2 3.79Å; L833-L837 HydrophobicContact CD1-CD1 4.42Å; L833-L837 HydrophobicContact CD1-CG 4.33Å; L833-L837 HydrophobicContact CG-CD1 4.27Å; L833-L837 WeakPolarHBondContact O-CG 3.16Å; L833-L837 PolarHBondContact O-N 2.87Å; E834-L837 PolarHBondContact O-N 2.86Å; L837-R839 VanDerWaalsContact C-N 3.35Å; L837-R839 PolarHBondContact O-N 2.97Å; L837-S840 PolarHBondContact O-N 3.28Å; L837-H841 PolarHBondContact O-N 3.24Å; L837-L843 HydrophobicContact CB-CD1 4.13Å; L837-L843 HydrophobicContact CD2-CD1 3.73Å; L837-V870 HydrophobicContact CD1-CG1 3.77Å; L837-L871 HydrophobicContact CD1-CD2 4.21Å; L837-E874 HydrophobicContact CD1-CG 4.03Å; L837-L876 HydrophobicContact CD1-CD1 4.41Å; L837-L876 HydrophobicContact CD2-CD1 4.03Å
838	Q	93.1	Very high	93.4	Very high	114 Å²	114	57.9 Å²	57.9	53%	0.533	29%	0.286	S	S	.	.	H	α-helix	trans	-55.6	-46.9	179.2	-76	176.1	-4.8	0	0	112.3	E834 S840 H841	E834-Q838 WeakPolarHBondContact O-CB 3.27Å; E834-Q838 VanDerWaalsContact O-CG 3.29Å; E834-Q838 WeakPolarHBondContact O-CG 3.46Å; E834-Q838 PolarHBondContact O-N 3.1Å; Q838-S840 PolarHBondContact O-N 3.38Å; Q838-H841 PolarHBondContact O-CD2 3.39Å; Q838-H841 PolarHBondContact O-N 3.2Å
839	R	90.9	Very high	93.6	Very high	134 Å²	134	54.3 Å²	54.3	51%	0.506	26%	0.264	S	S	.	.	H	α-helix	trans	-72.7	-13.9	-179.8	-72.2	-176.1	72.8	135.6	4.2	114.4	H835 L837	H835-R839 WeakPolarHBondContact CE1-CD 3.36Å; H835-R839 WeakPolarHBondContact NE2-CD 3.21Å; H835-R839 WeakPolarHBondContact O-CB 3.3Å; H835-R839 VanDerWaalsContact O-CG 3.29Å; H835-R839 WeakPolarHBondContact O-CG 3.48Å; H835-R839 PolarHBondContact O-N 3.28Å; H835-R839 VanDerWaalsContact O-N 3.09Å; L837-R839 VanDerWaalsContact C-N 3.35Å; L837-R839 PolarHBondContact O-N 2.97Å
840	S	92.6	Very high	93.8	Very high	3 Å²	3	54 Å²	54	2%	0.021	26%	0.263	C	S	.	.	H	α-helix	trans	-102.2	-0.1	-176.8	-52.3	0	0	0	0	112.9	L767 S812 L836 L837 Q838 L843	L767-S840 VanDerWaalsContact CD2-CB 3.46Å; L767-S840 WeakPolarHBondContact CD2-OG 3.42Å; S812-S840 WeakPolarHBondContact CB-OG 3.44Å; S812-S840 PolarHBondContact OG-OG 3.38Å; S812-S840 VanDerWaalsContact OG-OG 3.11Å; L836-S840 VanDerWaalsContact O-CB 3.32Å; L836-S840 WeakPolarHBondContact O-CB 3.34Å; L836-S840 PolarHBondContact O-N 3.24Å; L836-S840 PolarHBondContact O-OG 2.92Å; L837-S840 PolarHBondContact O-N 3.28Å; Q838-S840 PolarHBondContact O-N 3.38Å; S840-L843 WeakPolarHBondContact O-CD2 2.94Å
841	H	90.1	Very high	93.9	Very high	92 Å²	92	51 Å²	51	43%	0.426	25%	0.249	S	C	.	.			trans	-57.4	151.7	176	-81.4	-54.5	0	0	0	113.3	L837 Q838 L843	L837-H841 PolarHBondContact O-N 3.24Å; Q838-H841 PolarHBondContact O-CD2 3.39Å; Q838-H841 PolarHBondContact O-N 3.2Å; H841-L843 PolarHBondContact ND1-N 3.47Å
842	P	92.9	Very high	94.2	Very high	102 Å²	102	44.5 Å²	44.5	66%	0.662	22%	0.22	S	C	*	.	S	Bend	cis	-73.1	144	-0.7	28.6	-35.1	0	0	0	112.8	K765	K765-P842 WeakPolarHBondContact CD-O 3.28Å; K765-P842 WeakPolarHBondContact CE-O 3.15Å; K765-P842 PolarHBondContact NZ-O 3.48Å
843	L	94.8	Very high	94.4	Very high	24 Å²	24	44.2 Å²	44.2	13%	0.126	22%	0.218	C	C	.	.			trans	-118.8	138.7	179.3	-65.2	178.4	0	0	0	109.3	K765 L767 L837 S840 H841 T849 L876	K765-L843 HydrophobicContact CD-CD2 3.97Å; L767-L843 HydrophobicContact CD1-CD1 4Å; L767-L843 HydrophobicContact CD1-CD2 4.04Å; L837-L843 HydrophobicContact CB-CD1 4.13Å; L837-L843 HydrophobicContact CD2-CD1 3.73Å; S840-L843 WeakPolarHBondContact O-CD2 2.94Å; H841-L843 PolarHBondContact ND1-N 3.47Å; L843-T849 HydrophobicContact CD2-CG2 4.12Å; L843-L876 HydrophobicContact CB-CD1 4.26Å; L843-L876 HydrophobicContact CB-CD2 4Å; L843-L876 HydrophobicContact CD1-CD1 3.77Å
844	E	93.6	Very high	94.2	Very high	119 Å²	119	44.2 Å²	44.2	56%	0.556	22%	0.218	S	C	*	.			trans	-98.5	135.5	178	-67.5	177.6	-159.7	0	0	109.9	T846 T849	E844-T846 PolarHBondContact O-N 3.08Å; E844-T849 PolarHBondContact N-OG1 3.36Å; E844-T849 VanDerWaalsContact O-CB 3.28Å; E844-T849 WeakPolarHBondContact O-CB 3.15Å; E844-T849 PolarHBondContact O-OG1 3.14Å
845	N	95.2	Very high	93.7	Very high	58 Å²	58	42.3 Å²	42.3	31%	0.31	21%	0.209	S	C	.	.	S	Bend	trans	-80.5	59.4	176.5	-172.9	29.4	0	0	0	111.3	N875 L876 L877 N878	N845-N875 VanDerWaalsContact CB-O 3.26Å; N845-N875 WeakPolarHBondContact CB-O 3Å; N845-N875 PolarHBondContact ND2-O 3.37Å; N845-N875 PolarHBondContact OD1-O 3.19Å; N845-L876 HydrophobicContact CB-CD2 4.22Å; N845-L876 WeakPolarHBondContact OD1-CA 3.44Å; N845-L877 PolarHBondContact OD1-N 3.37Å; N845-L877 VanDerWaalsContact OD1-N 3.15Å; N845-N878 PolarHBondContact ND2-ND2 3.09Å; N845-N878 VanDerWaalsContact ND2-ND2 3.17Å; N845-N878 WeakPolarHBondContact O-CB 3.28Å; N845-N878 WeakPolarHBondContact OD1-CA 3.47Å; N845-N878 WeakPolarHBondContact OD1-CB 3.36Å; N845-N878 PolarHBondContact OD1-N 2.79Å
846	T	94.2	Very high	93.3	Very high	54 Å²	54	38.9 Å²	38.9	33%	0.331	19%	0.193	S	C	.	.	S	Bend	trans	-146.4	174.7	-177.9	66.4	0	0	0	0	109.7	E844 Q848 T849 N878 I879	E844-T846 PolarHBondContact O-N 3.08Å; T846-Q848 PolarHBondContact O-N 3.4Å; T846-Q848 WeakPolarHBondContact OG1-CB 3.35Å; T846-Q848 WeakPolarHBondContact OG1-CG 3.46Å; T846-Q848 PolarHBondContact OG1-N 3.09Å; T846-T849 PolarHBondContact O-N 3.35Å; T846-N878 CarbonylContact C-O 3.59Å; T846-I879 WeakPolarHBondContact O-CA 3.49Å
847	D	89.6	Confident	92.7	Very high	52 Å²	52	41.2 Å²	41.2	28%	0.278	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-4.9	172.8	67.3	1.5	0	0	0	114.8	R764 T849	R764-D847 PolarHBondContact NH1-O 2.85Å; D847-T849 VanDerWaalsContact C-N 3.32Å
848	Q	92.7	Very high	92.3	Very high	56 Å²	56	42.9 Å²	42.9	26%	0.262	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-26.9	170.6	-59.8	-54.5	-60.4	0	0	112.4	R764 K765 T846	R764-Q848 CarbonylContact C-O 3.57Å; R764-Q848 WeakPolarHBondContact CA-O 3.23Å; R764-Q848 WeakPolarHBondContact CB-O 3.44Å; K765-Q848 PolarHBondContact N-O 3.13Å; T846-Q848 PolarHBondContact O-N 3.4Å; T846-Q848 WeakPolarHBondContact OG1-CB 3.35Å; T846-Q848 WeakPolarHBondContact OG1-CG 3.46Å; T846-Q848 PolarHBondContact OG1-N 3.09Å
849	T	96.6	Very high	92.3	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.012	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	126.2	169	-56.5	0	0	0	0	108.8	K765 L767 L843 E844 T846 D847 I879 L880	K765-T849 WeakPolarHBondContact O-CA 3.46Å; L767-T849 HydrophobicContact CD1-CG2 4.24Å; L843-T849 HydrophobicContact CD2-CG2 4.12Å; E844-T849 PolarHBondContact N-OG1 3.36Å; E844-T849 VanDerWaalsContact O-CB 3.28Å; E844-T849 WeakPolarHBondContact O-CB 3.15Å; E844-T849 PolarHBondContact O-OG1 3.14Å; T846-T849 PolarHBondContact O-N 3.35Å; D847-T849 VanDerWaalsContact C-N 3.32Å; T849-I879 HydrophobicContact CG2-CB 4.29Å; T849-I879 HydrophobicContact CG2-CD1 4.27Å; T849-I879 HydrophobicContact CG2-CG2 4Å; T849-I879 WeakPolarHBondContact O-CB 3.3Å; T849-L880 PolarHBondContact O-N 3.01Å
850	V	97.6	Very high	92.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	122.8	179.1	-174.6	0	0	0	0	108.9	K765 I766 L767 V852 L880 I882 M1015	K765-V850 PolarHBondContact O-N 3.15Å; I766-V850 CarbonylContact C-O 3.58Å; I766-V850 WeakPolarHBondContact CA-O 3.38Å; I766-V850 HydrophobicContact CG1-CB 4.46Å; I766-V850 HydrophobicContact CG2-CB 4.27Å; I766-V850 HydrophobicContact CG2-CG1 4.42Å; L767-V850 PolarHBondContact N-O 2.03Å; V850-V852 HydrophobicContact CG1-CG2 4.24Å; V850-L880 CarbonylContact C-O 3.42Å; V850-L880 VanDerWaalsContact CA-O 3.28Å; V850-L880 WeakPolarHBondContact CA-O 3.43Å; V850-L880 HydrophobicContact CG1-CB 4.41Å; V850-L880 HydrophobicContact CG1-CD2 4.19Å; V850-L880 HydrophobicContact CG1-CG 4.24Å; V850-L880 HydrophobicContact CG2-CB 4.25Å; V850-L880 HydrophobicContact CG2-CD2 4.21Å; V850-I882 HydrophobicContact CG1-CD1 4.18Å; V850-I882 HydrophobicContact CG1-CG1 4.37Å; V850-M1015 HydrophobicContact CG1-CE 4.12Å; V850-M1015 HydrophobicContact CG1-CG 4.3Å
851	L	98.1	Very high	92.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	115.1	174.7	177.3	65.1	0	0	0	109.7	L767 I769 L833 L836 V853 I867 L871 I879 L880 V881 I882	L767-L851 HydrophobicContact CB-CD1 3.99Å; L767-L851 CarbonylContact O-C 3.46Å; L767-L851 WeakPolarHBondContact O-CA 3.45Å; I769-L851 HydrophobicContact CG2-CD1 4.14Å; L833-L851 HydrophobicContact CD1-CD1 4.04Å; L833-L851 HydrophobicContact CD1-CD2 3.93Å; L836-L851 HydrophobicContact CD2-CD1 4.4Å; L851-V853 HydrophobicContact CD1-CG2 4.19Å; L851-V853 HydrophobicContact CD2-CG2 4.04Å; L851-V853 HydrophobicContact CG-CG2 3.8Å; L851-I867 HydrophobicContact CD2-CG2 4.12Å; L851-L871 HydrophobicContact CD2-CD1 4.35Å; L851-L871 HydrophobicContact CD2-CD2 4.3Å; L851-I879 HydrophobicContact CB-CD1 3.89Å; L851-L880 PolarHBondContact N-O 2.71Å; L851-V881 HydrophobicContact CB-CG2 4.45Å; L851-V881 CarbonylContact O-C 3.53Å; L851-V881 WeakPolarHBondContact O-CA 3.49Å; L851-I882 PolarHBondContact O-N 2.81Å
852	V	98.1	Very high	92.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	117.4	174.3	-171	0	0	0	0	109.2	I766 L767 F768 I769 V850 I882 L1011 M1015	I766-V852 HydrophobicContact CG2-CG2 4.33Å; L767-V852 PolarHBondContact O-N 3.27Å; F768-V852 WeakPolarHBondContact CA-O 3.36Å; F768-V852 HydrophobicContact CD1-CB 3.67Å; F768-V852 HydrophobicContact CD1-CG1 3.85Å; F768-V852 HydrophobicContact CD1-CG2 4.21Å; F768-V852 HydrophobicContact CE1-CB 3.79Å; F768-V852 HydrophobicContact CE1-CG1 3.78Å; F768-V852 HydrophobicContact CE1-CG2 3.9Å; F768-V852 HydrophobicContact CG-CB 4.2Å; F768-V852 HydrophobicContact CZ-CB 4.41Å; F768-V852 HydrophobicContact CZ-CG2 4.05Å; I769-V852 PolarHBondContact N-O 3.01Å; V850-V852 HydrophobicContact CG1-CG2 4.24Å; V852-I882 WeakPolarHBondContact CA-O 3.49Å; V852-L1011 HydrophobicContact CG1-CD1 4.21Å; V852-L1011 HydrophobicContact CG1-CD2 4.47Å; V852-L1011 HydrophobicContact CG2-CD1 4.29Å; V852-M1015 HydrophobicContact CG2-CE 3.38Å
853	V	97.5	Very high	92.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	132.2	178.4	-173.8	0	0	0	0	109.3	I769 F829 L851 W858 L859 I867 I882 I883 K884	I769-V853 HydrophobicContact CG2-CB 4.17Å; I769-V853 HydrophobicContact CG2-CG1 4.07Å; I769-V853 HydrophobicContact CG2-CG2 3.65Å; I769-V853 WeakPolarHBondContact O-CA 3.19Å; F829-V853 HydrophobicContact CE2-CG1 4.07Å; F829-V853 HydrophobicContact CZ-CG1 3.88Å; L851-V853 HydrophobicContact CD1-CG2 4.19Å; L851-V853 HydrophobicContact CD2-CG2 4.04Å; L851-V853 HydrophobicContact CG-CG2 3.8Å; V853-W858 HydrophobicContact CG1-CH2 4.29Å; V853-L859 HydrophobicContact CG1-CD1 4.24Å; V853-I867 HydrophobicContact CB-CD1 4.05Å; V853-I867 HydrophobicContact CG1-CD1 4.01Å; V853-I867 HydrophobicContact CG2-CD1 3.74Å; V853-I867 HydrophobicContact CG2-CG1 4.45Å; V853-I882 PolarHBondContact N-O 3.35Å; V853-I883 HydrophobicContact CB-CD1 4.04Å; V853-I883 HydrophobicContact CG2-CD1 4.45Å; V853-I883 WeakPolarHBondContact O-CA 3.44Å; V853-K884 PolarHBondContact O-N 2.78Å
854	G	91.9	Very high	92.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.8	148.9	175.6	0	0	0	0	0	117.2	I769 G770 D771 K884	I769-G854 PolarHBondContact O-N 2.72Å; I769-G854 VanDerWaalsContact O-N 3.14Å; G770-G854 WeakPolarHBondContact CA-O 3.37Å; D771-G854 PolarHBondContact N-O 3.31Å; G854-K884 WeakPolarHBondContact CA-O 3.26Å
855	G	85.7	Confident	93	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.151	C	C	.	.			trans	-154.9	138	-178	0	0	0	0	0	111.7	D771 Q857	D771-G855 VanDerWaalsContact OD2-CA 3.27Å; D771-G855 WeakPolarHBondContact OD2-CA 3.49Å; G855-Q857 VanDerWaalsContact C-N 3.33Å; G855-Q857 PolarHBondContact O-N 3.1Å
856	V	84.6	Confident	93.1	Very high	5 Å²	5	28.4 Å²	28.4	3%	0.03	14%	0.144	C	C	.	.	S	Bend	trans	-65.5	-35.3	-177.6	176.7	0	0	0	0	112.2	D771 T773 L886 G887 F890 C947	D771-V856 PolarHBondContact OD2-N 2.94Å; T773-V856 HydrophobicContact CG2-CG2 3.45Å; T773-V856 VanDerWaalsContact CG2-CG2 3.45Å; T773-V856 VanDerWaalsContact OG1-CG2 3.31Å; T773-V856 WeakPolarHBondContact OG1-CG2 3.33Å; V856-L886 WeakPolarHBondContact O-CD2 3.22Å; V856-G887 WeakPolarHBondContact CG1-O 3.09Å; V856-G887 PolarHBondContact O-N 2.79Å; V856-G887 VanDerWaalsContact O-N 3.14Å; V856-F890 HydrophobicContact CB-CE2 4.31Å; V856-F890 HydrophobicContact CG1-CD2 4.2Å; V856-F890 HydrophobicContact CG1-CE2 4.03Å; V856-C947 HydrophobicContact CG1-CB 4.4Å
857	Q	81.8	Confident	93.3	Very high	50 Å²	50	25.8 Å²	25.8	23%	0.234	13%	0.128	C	C	.	.	S	Bend	trans	-139.8	-11.9	-169.5	-157.9	-172.7	1.7	0	0	115.5	G855 F890 H898 L900	G855-Q857 VanDerWaalsContact C-N 3.33Å; G855-Q857 PolarHBondContact O-N 3.1Å; Q857-F890 HydrophobicContact CB-CD2 4.09Å; Q857-F890 HydrophobicContact CB-CE2 4.16Å; Q857-F890 HydrophobicContact CG-CD2 4.41Å; Q857-F890 VanDerWaalsContact OE1-CG 3.22Å; Q857-H898 PolarHBondContact NE2-CD2 3.09Å; Q857-H898 PolarHBondContact NE2-NE2 3.04Å; Q857-L900 HydrophobicContact CG-CD1 4.48Å; Q857-L900 VanDerWaalsContact NE2-CD2 3.34Å
858	W	87.6	Confident	93.7	Very high	35 Å²	35	26 Å²	26	13%	0.133	13%	0.127	C	C	.	.	S	Bend	trans	-103	-17.9	-174.3	63.4	-97.3	0	0	0	113.9	Y816 P817 F829 V853 H863	Y816-W858 HydrophobicContact CD1-CD2 4.06Å; Y816-W858 AromaticContact CD1-CE2 3.97Å; Y816-W858 AromaticContact CD1-CE3 3.86Å; Y816-W858 HydrophobicContact CD1-CE3 3.86Å; Y816-W858 AromaticContact CD1-CH2 3.58Å; Y816-W858 HydrophobicContact CD1-CH2 3.58Å; Y816-W858 AromaticContact CD1-CZ2 3.76Å; Y816-W858 HydrophobicContact CD1-CZ2 3.76Å; Y816-W858 AromaticContact CD1-CZ3 3.62Å; Y816-W858 HydrophobicContact CD1-CZ3 3.62Å; Y816-W858 HydrophobicContact CE1-CD2 4.13Å; Y816-W858 AromaticContact CE1-CE3 3.63Å; Y816-W858 HydrophobicContact CE1-CE3 3.63Å; Y816-W858 HydrophobicContact CE1-CH2 4.08Å; Y816-W858 AromaticContact CE1-CZ3 3.6Å; Y816-W858 HydrophobicContact CE1-CZ3 3.6Å; Y816-W858 PolarHBondContact O-NE1 3.29Å; P817-W858 VanDerWaalsContact CD-CG 3.49Å; P817-W858 VanDerWaalsContact CD-NE1 3.29Å; P817-W858 HydrophobicContact CG-CB 4.06Å; P817-W858 HydrophobicContact CG-CD2 4.08Å; P817-W858 HydrophobicContact CG-CG 3.75Å; F829-W858 HydrophobicContact CD2-CH2 4.07Å; F829-W858 AromaticContact CD2-CZ3 3.92Å; F829-W858 HydrophobicContact CD2-CZ3 3.92Å; F829-W858 AromaticContact CE2-CH2 3.85Å; F829-W858 HydrophobicContact CE2-CH2 3.85Å; F829-W858 HydrophobicContact CE2-CZ3 4.05Å; V853-W858 HydrophobicContact CG1-CH2 4.29Å; W858-H863 AromaticContact CE3-CE1 3.86Å; W858-H863 AromaticContact CE3-NE2 3.89Å; W858-H863 AromaticContact CZ3-CD2 3.9Å; W858-H863 PolarHBondContact O-CE1 2.86Å; W858-H863 PolarHBondContact O-ND1 2.73Å
859	L	92.4	Very high	93.9	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.01	14%	0.143	C	C	.	.			trans	-71.5	141.3	-178.4	-172.6	70.3	0	0	0	109.7	V853 H863 L864 I883 L886 I915	V853-L859 HydrophobicContact CG1-CD1 4.24Å; L859-H863 HydrophobicContact CD1-CB 3.81Å; L859-L864 HydrophobicContact CD1-CD1 4.11Å; L859-L864 HydrophobicContact CG-CD1 4.34Å; L859-I883 HydrophobicContact CD2-CG2 3.64Å; L859-L886 HydrophobicContact CB-CD2 4.15Å; L859-L886 WeakPolarHBondContact O-CD2 3.47Å; L859-I915 HydrophobicContact CB-CD1 4.43Å; L859-I915 HydrophobicContact CD2-CD1 4.41Å; L859-I915 HydrophobicContact CD2-CG2 4.21Å; L859-I915 HydrophobicContact CG-CD1 4.23Å; L859-I915 WeakPolarHBondContact O-CD1 3.45Å
860	N	93.4	Very high	94	Very high	45 Å²	45	29.8 Å²	29.8	24%	0.241	14%	0.142	C	C	.	.			trans	-153.1	174	178.5	65.4	29.8	0	0	0	109.8	Q862 H863 L864 E911	N860-Q862 VanDerWaalsContact C-N 3.26Å; N860-Q862 PolarHBondContact O-N 3.5Å; N860-Q862 VanDerWaalsContact OD1-CB 3.31Å; N860-Q862 WeakPolarHBondContact OD1-CB 3.45Å; N860-Q862 PolarHBondContact OD1-N 3.15Å; N860-H863 PolarHBondContact N-ND1 2.86Å; N860-H863 WeakPolarHBondContact O-CB 3.37Å; N860-H863 PolarHBondContact O-N 3.19Å; N860-H863 VanDerWaalsContact O-N 3.13Å; N860-H863 PolarHBondContact OD1-N 3.23Å; N860-H863 VanDerWaalsContact OD1-N 3.1Å; N860-H863 PolarHBondContact OD1-ND1 3.4Å; N860-L864 WeakPolarHBondContact O-CD1 3.35Å; N860-E911 WeakPolarHBondContact CA-OE1 3.46Å; N860-E911 HydrophobicContact CB-CG 4.47Å; N860-E911 WeakPolarHBondContact CB-OE1 3.37Å
861	S	92.7	Very high	94	Very high	41 Å²	41	29.8 Å²	29.8	29%	0.287	14%	0.143	S	C	.	.	H	α-helix	trans	-58.2	-32.1	-179.6	61.1	0	0	0	0	114.3	H863 L864 Q865 E911	S861-H863 VanDerWaalsContact C-N 3.34Å; S861-H863 PolarHBondContact O-N 2.99Å; S861-L864 PolarHBondContact O-N 3.3Å; S861-Q865 PolarHBondContact O-N 3.41Å; S861-E911 PolarHBondContact N-OE1 3.2Å
862	Q	93.8	Very high	93.9	Very high	118 Å²	118	36.2 Å²	36.2	55%	0.551	17%	0.17	S	C	*	.	H	α-helix	trans	-64.8	-37.6	177.4	-172.6	-178	5.3	0	0	111.8	N860 L864 Q865 I866	N860-Q862 VanDerWaalsContact C-N 3.26Å; N860-Q862 PolarHBondContact O-N 3.5Å; N860-Q862 VanDerWaalsContact OD1-CB 3.31Å; N860-Q862 WeakPolarHBondContact OD1-CB 3.45Å; N860-Q862 PolarHBondContact OD1-N 3.15Å; Q862-L864 VanDerWaalsContact C-N 3.29Å; Q862-L864 PolarHBondContact O-N 3.14Å; Q862-Q865 WeakPolarHBondContact O-CB 3.43Å; Q862-Q865 PolarHBondContact O-N 2.66Å; Q862-I866 HydrophobicContact CG-CD1 4.48Å; Q862-I866 WeakPolarHBondContact O-CG1 3.27Å; Q862-I866 PolarHBondContact O-N 3.42Å
863	H	95.8	Very high	93.9	Very high	24 Å²	24	42 Å²	42	11%	0.111	19%	0.192	C	C	.	.	H	α-helix	trans	-60.5	-39.4	175.2	-66.2	104.5	0	0	0	111.8	F829 W858 L859 N860 S861 Q865 I866 I867	F829-H863 HydrophobicContact CD1-CB 4.36Å; F829-H863 AromaticContact CD1-CD2 3.76Å; F829-H863 HydrophobicContact CE1-CB 4.36Å; F829-H863 AromaticContact CG-CD2 3.58Å; W858-H863 AromaticContact CE3-CE1 3.86Å; W858-H863 AromaticContact CE3-NE2 3.89Å; W858-H863 AromaticContact CZ3-CD2 3.9Å; W858-H863 PolarHBondContact O-CE1 2.86Å; W858-H863 PolarHBondContact O-ND1 2.73Å; L859-H863 HydrophobicContact CD1-CB 3.81Å; N860-H863 PolarHBondContact N-ND1 2.86Å; N860-H863 WeakPolarHBondContact O-CB 3.37Å; N860-H863 PolarHBondContact O-N 3.19Å; N860-H863 VanDerWaalsContact O-N 3.13Å; N860-H863 PolarHBondContact OD1-N 3.23Å; N860-H863 VanDerWaalsContact OD1-N 3.1Å; N860-H863 PolarHBondContact OD1-ND1 3.4Å; S861-H863 VanDerWaalsContact C-N 3.34Å; S861-H863 PolarHBondContact O-N 2.99Å; H863-Q865 VanDerWaalsContact C-N 3.31Å; H863-Q865 PolarHBondContact O-N 3.46Å; H863-I866 WeakPolarHBondContact O-CB 3.43Å; H863-I866 PolarHBondContact O-N 3.02Å; H863-I866 VanDerWaalsContact O-N 3.1Å; H863-I867 WeakPolarHBondContact O-CG1 3.36Å; H863-I867 PolarHBondContact O-N 3.23Å
864	L	97.1	Very high	93.8	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-65	-36.1	177.7	-81.7	66.7	0	0	0	112	L859 N860 S861 Q862 I866 I867 H868 I883 I915 A918 A919 Y922	L859-L864 HydrophobicContact CD1-CD1 4.11Å; L859-L864 HydrophobicContact CG-CD1 4.34Å; N860-L864 WeakPolarHBondContact O-CD1 3.35Å; S861-L864 PolarHBondContact O-N 3.3Å; Q862-L864 VanDerWaalsContact C-N 3.29Å; Q862-L864 PolarHBondContact O-N 3.14Å; L864-I866 VanDerWaalsContact C-N 3.33Å; L864-I867 PolarHBondContact O-N 3.06Å; L864-H868 PolarHBondContact O-N 3.36Å; L864-I883 HydrophobicContact CD2-CG1 4.42Å; L864-I883 HydrophobicContact CG-CD1 4.4Å; L864-I883 HydrophobicContact CG-CG1 4.48Å; L864-I915 HydrophobicContact CD1-CG2 4.18Å; L864-I915 HydrophobicContact CD2-CG2 4.24Å; L864-I915 WeakPolarHBondContact CD2-O 3.31Å; L864-A918 HydrophobicContact CB-CB 4.42Å; L864-A918 HydrophobicContact CD2-CB 3.73Å; L864-A919 HydrophobicContact CD2-CB 3.83Å; L864-A919 VanDerWaalsContact CD2-N 3.33Å; L864-Y922 HydrophobicContact CB-CD2 4.3Å; L864-Y922 HydrophobicContact CB-CE2 4.37Å
865	Q	96.8	Very high	93.9	Very high	82 Å²	82	50.5 Å²	50.5	38%	0.383	24%	0.236	S	C	.	.	H	α-helix	trans	-62.9	-41.3	172	-57.7	176.9	0.5	0	0	111.4	S861 Q862 H863 H868 K869 Y922	S861-Q865 PolarHBondContact O-N 3.41Å; Q862-Q865 WeakPolarHBondContact O-CB 3.43Å; Q862-Q865 PolarHBondContact O-N 2.66Å; H863-Q865 VanDerWaalsContact C-N 3.31Å; H863-Q865 PolarHBondContact O-N 3.46Å; Q865-H868 PolarHBondContact O-N 2.9Å; Q865-K869 WeakPolarHBondContact O-CG 3.48Å; Q865-K869 PolarHBondContact O-N 3.34Å; Q865-Y922 HydrophobicContact CG-CE2 4.36Å
866	I	97.6	Very high	94.5	Very high	30 Å²	30	50.8 Å²	50.8	15%	0.154	24%	0.237	C	C	.	.	H	α-helix	trans	-64.1	-46.1	176.5	-65.1	166.8	0	0	0	110.3	F829 E830 Q862 H863 L864 H868 K869 V870	F829-I866 HydrophobicContact CD1-CB 4.11Å; F829-I866 HydrophobicContact CD1-CD1 4.47Å; F829-I866 HydrophobicContact CD1-CG2 3.78Å; F829-I866 HydrophobicContact CE1-CB 4.44Å; F829-I866 HydrophobicContact CE1-CG2 4.22Å; E830-I866 HydrophobicContact CB-CG2 3.69Å; E830-I866 HydrophobicContact CG-CG2 4.18Å; Q862-I866 HydrophobicContact CG-CD1 4.48Å; Q862-I866 WeakPolarHBondContact O-CG1 3.27Å; Q862-I866 PolarHBondContact O-N 3.42Å; H863-I866 WeakPolarHBondContact O-CB 3.43Å; H863-I866 PolarHBondContact O-N 3.02Å; H863-I866 VanDerWaalsContact O-N 3.1Å; L864-I866 VanDerWaalsContact C-N 3.33Å; I866-H868 VanDerWaalsContact C-N 3.28Å; I866-H868 PolarHBondContact O-N 3.45Å; I866-K869 PolarHBondContact O-N 3.07Å; I866-K869 VanDerWaalsContact O-N 3.16Å; I866-V870 HydrophobicContact CG2-CG2 4.09Å; I866-V870 VanDerWaalsContact O-CG2 3.31Å; I866-V870 WeakPolarHBondContact O-CG2 3.35Å; I866-V870 PolarHBondContact O-N 3.36Å
867	I	98	Very high	95	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-52.3	-51.2	175.1	-63	167.8	0	0	0	109.7	F829 L833 L851 V853 H863 L864 K869 V870 L871 V881 I883 Y924	F829-I867 HydrophobicContact CE1-CD1 4.4Å; F829-I867 HydrophobicContact CE1-CG1 3.62Å; F829-I867 HydrophobicContact CZ-CD1 4.22Å; F829-I867 HydrophobicContact CZ-CG1 3.8Å; L833-I867 HydrophobicContact CD2-CB 4.41Å; L833-I867 HydrophobicContact CD2-CG1 4.2Å; L851-I867 HydrophobicContact CD2-CG2 4.12Å; V853-I867 HydrophobicContact CB-CD1 4.05Å; V853-I867 HydrophobicContact CG1-CD1 4.01Å; V853-I867 HydrophobicContact CG2-CD1 3.74Å; V853-I867 HydrophobicContact CG2-CG1 4.45Å; H863-I867 WeakPolarHBondContact O-CG1 3.36Å; H863-I867 PolarHBondContact O-N 3.23Å; L864-I867 PolarHBondContact O-N 3.06Å; I867-K869 PolarHBondContact O-N 3.29Å; I867-V870 PolarHBondContact O-N 3.21Å; I867-L871 HydrophobicContact CG2-CD1 3.66Å; I867-L871 HydrophobicContact CG2-CG 4.12Å; I867-L871 WeakPolarHBondContact O-CB 3.41Å; I867-L871 VanDerWaalsContact O-CG 3.28Å; I867-L871 WeakPolarHBondContact O-CG 3.44Å; I867-L871 PolarHBondContact O-N 3.42Å; I867-V881 HydrophobicContact CG2-CG1 4.34Å; I867-I883 HydrophobicContact CD1-CD1 3.81Å; I867-Y924 HydrophobicContact CB-CE2 4.39Å; I867-Y924 HydrophobicContact CG2-CE2 4.09Å
868	H	97.7	Very high	95.6	Very high	56 Å²	56	57.3 Å²	57.3	26%	0.259	27%	0.273	S	S	.	.	H	α-helix	trans	-60.8	-42.8	-178.9	-169.7	75.1	0	0	0	112.8	L864 Q865 I866 K872 Y922 Y924	L864-H868 PolarHBondContact O-N 3.36Å; Q865-H868 PolarHBondContact O-N 2.9Å; I866-H868 VanDerWaalsContact C-N 3.28Å; I866-H868 PolarHBondContact O-N 3.45Å; H868-K872 VanDerWaalsContact O-CB 3.29Å; H868-K872 WeakPolarHBondContact O-CB 3.49Å; H868-K872 PolarHBondContact O-N 3.42Å; H868-Y922 HydrophobicContact CB-CD1 3.95Å; H868-Y922 HydrophobicContact CB-CE1 3.92Å; H868-Y922 HydrophobicContact CB-CG 4.38Å; H868-Y922 AromaticContact CD2-CE1 3.79Å; H868-Y922 AromaticContact CE1-CD1 3.95Å; H868-Y922 AromaticContact CG-CD1 3.55Å; H868-Y922 AromaticContact CG-CE1 3.64Å; H868-Y922 AromaticContact ND1-CD1 3.5Å; H868-Y922 WeakPolarHBondContact ND1-CD1 3.47Å; H868-Y924 WeakPolarHBondContact CA-OH 3.29Å; H868-Y924 VanDerWaalsContact CB-OH 3.29Å; H868-Y924 WeakPolarHBondContact CB-OH 3.49Å; H868-Y924 PolarHBondContact N-OH 3.48Å; H868-Y924 PolarHBondContact ND1-OH 2.99Å
869	K	97.7	Very high	96	Very high	137 Å²	137	56.2 Å²	56.2	60%	0.596	27%	0.27	S	S	*	.	H	α-helix	trans	-63.2	-45.6	177.4	-74.3	175.8	-179.1	-180	0	112.3	Q865 I866 I867 K872 R873	Q865-K869 WeakPolarHBondContact O-CG 3.48Å; Q865-K869 PolarHBondContact O-N 3.34Å; I866-K869 PolarHBondContact O-N 3.07Å; I866-K869 VanDerWaalsContact O-N 3.16Å; I867-K869 PolarHBondContact O-N 3.29Å; K869-K872 PolarHBondContact O-N 3.48Å; K869-R873 PolarHBondContact O-N 2.95Å
870	V	98	Very high	96.3	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-64.9	-49.5	179	176.2	0	0	0	0	110.4	E830 L833 E834 L837 I866 I867 K872 R873 E874	E830-V870 HydrophobicContact CG-CG2 3.7Å; L833-V870 HydrophobicContact CD2-CB 3.89Å; L833-V870 HydrophobicContact CD2-CG1 3.96Å; L833-V870 HydrophobicContact CD2-CG2 4.14Å; L833-V870 HydrophobicContact CG-CG1 4.07Å; E834-V870 HydrophobicContact CG-CG1 4.04Å; L837-V870 HydrophobicContact CD1-CG1 3.77Å; I866-V870 HydrophobicContact CG2-CG2 4.09Å; I866-V870 VanDerWaalsContact O-CG2 3.31Å; I866-V870 WeakPolarHBondContact O-CG2 3.35Å; I866-V870 PolarHBondContact O-N 3.36Å; I867-V870 PolarHBondContact O-N 3.21Å; V870-K872 VanDerWaalsContact C-N 3.26Å; V870-K872 PolarHBondContact O-N 3.26Å; V870-R873 WeakPolarHBondContact O-CB 3.27Å; V870-R873 PolarHBondContact O-N 2.94Å; V870-E874 HydrophobicContact CG1-CG 4.24Å; V870-E874 WeakPolarHBondContact O-CG 3.48Å; V870-E874 PolarHBondContact O-N 2.93Å
871	L	97.8	Very high	96.5	Very high	1 Å²	1	56 Å²	56	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-61.8	-34.5	178.9	-66.7	-179	0	0	0	112.3	L837 L851 I867 N875 L876 L877 I879 V881	L837-L871 HydrophobicContact CD1-CD2 4.21Å; L851-L871 HydrophobicContact CD2-CD1 4.35Å; L851-L871 HydrophobicContact CD2-CD2 4.3Å; I867-L871 HydrophobicContact CG2-CD1 3.66Å; I867-L871 HydrophobicContact CG2-CG 4.12Å; I867-L871 WeakPolarHBondContact O-CB 3.41Å; I867-L871 VanDerWaalsContact O-CG 3.28Å; I867-L871 WeakPolarHBondContact O-CG 3.44Å; I867-L871 PolarHBondContact O-N 3.42Å; L871-N875 PolarHBondContact O-N 3.2Å; L871-N875 VanDerWaalsContact O-N 3.16Å; L871-L876 HydrophobicContact CD2-CB 3.87Å; L871-L876 PolarHBondContact O-N 2.73Å; L871-L877 HydrophobicContact CB-CD2 4.03Å; L871-I879 HydrophobicContact CD1-CD1 4.05Å; L871-I879 HydrophobicContact CD1-CG1 4.28Å; L871-I879 HydrophobicContact CD2-CD1 3.62Å; L871-V881 HydrophobicContact CD1-CG2 3.55Å
872	K	96.9	Very high	96.7	Very high	134 Å²	134	54 Å²	54	58%	0.583	26%	0.255	S	S	*	.	H	α-helix	trans	-63.8	-43.2	172.2	-174.7	170.3	-179.3	177.5	0	112.2	H868 K869 V870 N875 L877	H868-K872 VanDerWaalsContact O-CB 3.29Å; H868-K872 WeakPolarHBondContact O-CB 3.49Å; H868-K872 PolarHBondContact O-N 3.42Å; K869-K872 PolarHBondContact O-N 3.48Å; V870-K872 VanDerWaalsContact C-N 3.26Å; V870-K872 PolarHBondContact O-N 3.26Å; K872-N875 PolarHBondContact O-N 2.79Å; K872-L877 HydrophobicContact CB-CD1 3.98Å; K872-L877 HydrophobicContact CB-CD2 4.06Å; K872-L877 HydrophobicContact CB-CG 4.19Å; K872-L877 HydrophobicContact CG-CD1 3.98Å
873	R	96.9	Very high	96.9	Very high	123 Å²	123	48.4 Å²	48.4	46%	0.464	23%	0.229	S	C	.	.	H	α-helix	trans	-66.2	-39.1	178.1	179.7	171.8	59.8	-136.3	-12.1	112.1	E830 E834 K869 V870 N875	E830-R873 IonicContact OE1-CZ 3.68Å; E830-R873 IonicContact OE1-NH1 2.57Å; E830-R873 PolarHBondContact OE1-NH1 3.45Å; E830-R873 IonicContact OE1-NH2 3.14Å; E830-R873 PolarHBondContact OE1-NH2 3.16Å; E834-R873 IonicContact OE1-CZ 2.76Å; E834-R873 IonicContact OE1-NE 2.85Å; E834-R873 IonicContact OE1-NH1 3.38Å; E834-R873 IonicContact OE1-NH2 3.62Å; E834-R873 PolarHBondContact OE1-NH2 3Å; K869-R873 PolarHBondContact O-N 2.95Å; V870-R873 WeakPolarHBondContact O-CB 3.27Å; V870-R873 PolarHBondContact O-N 2.94Å; R873-N875 VanDerWaalsContact C-N 3.29Å; R873-N875 PolarHBondContact O-N 3.43Å
874	E	95.1	Very high	97	Very high	55 Å²	55	47.6 Å²	47.6	26%	0.257	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	3.5	-179.5	-60.7	-58.8	140.5	0	0	113.7	L837 V870 L876	L837-E874 HydrophobicContact CD1-CG 4.03Å; V870-E874 HydrophobicContact CG1-CG 4.24Å; V870-E874 WeakPolarHBondContact O-CG 3.48Å; V870-E874 PolarHBondContact O-N 2.93Å; E874-L876 VanDerWaalsContact C-N 3.32Å; E874-L876 HydrophobicContact CB-CD1 4.04Å; E874-L876 HydrophobicContact CB-CG 4.24Å; E874-L876 PolarHBondContact O-N 2.66Å
875	N	95.3	Very high	96.9	Very high	123 Å²	123	47.6 Å²	47.6	66%	0.658	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.5	40.4	-175	-64.5	-52.3	0	0	0	114.1	N845 L871 K872 R873	N845-N875 VanDerWaalsContact CB-O 3.26Å; N845-N875 WeakPolarHBondContact CB-O 3Å; N845-N875 PolarHBondContact ND2-O 3.37Å; N845-N875 PolarHBondContact OD1-O 3.19Å; L871-N875 PolarHBondContact O-N 3.2Å; L871-N875 VanDerWaalsContact O-N 3.16Å; K872-N875 PolarHBondContact O-N 2.79Å; R873-N875 VanDerWaalsContact C-N 3.29Å; R873-N875 PolarHBondContact O-N 3.43Å
876	L	96.7	Very high	96.8	Very high	6 Å²	6	43.7 Å²	43.7	3%	0.031	21%	0.207	C	C	.	.			trans	-118.8	30.8	-177.6	-68.1	174.1	0	0	0	112.8	L837 L843 N845 L871 E874 N878 I879	L837-L876 HydrophobicContact CD1-CD1 4.41Å; L837-L876 HydrophobicContact CD2-CD1 4.03Å; L843-L876 HydrophobicContact CB-CD1 4.26Å; L843-L876 HydrophobicContact CB-CD2 4Å; L843-L876 HydrophobicContact CD1-CD1 3.77Å; N845-L876 HydrophobicContact CB-CD2 4.22Å; N845-L876 WeakPolarHBondContact OD1-CA 3.44Å; L871-L876 HydrophobicContact CD2-CB 3.87Å; L871-L876 PolarHBondContact O-N 2.73Å; E874-L876 VanDerWaalsContact C-N 3.32Å; E874-L876 HydrophobicContact CB-CD1 4.04Å; E874-L876 HydrophobicContact CB-CG 4.24Å; E874-L876 PolarHBondContact O-N 2.66Å; L876-N878 VanDerWaalsContact C-N 3.31Å; L876-N878 PolarHBondContact O-N 3.18Å; L876-I879 HydrophobicContact CB-CD1 4.38Å; L876-I879 HydrophobicContact CB-CG2 3.93Å; L876-I879 HydrophobicContact CD2-CG2 3.96Å; L876-I879 VanDerWaalsContact O-CG1 3.29Å; L876-I879 WeakPolarHBondContact O-CG1 3.36Å; L876-I879 WeakPolarHBondContact O-CG2 3.41Å
877	L	95.3	Very high	96.5	Very high	76 Å²	76	42.5 Å²	42.5	40%	0.398	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-19.3	-177.1	-73.9	175.1	0	0	0	115.1	N845 L871 K872	N845-L877 PolarHBondContact OD1-N 3.37Å; N845-L877 VanDerWaalsContact OD1-N 3.15Å; L871-L877 HydrophobicContact CB-CD2 4.03Å; K872-L877 HydrophobicContact CB-CD1 3.98Å; K872-L877 HydrophobicContact CB-CD2 4.06Å; K872-L877 HydrophobicContact CB-CG 4.19Å; K872-L877 HydrophobicContact CG-CD1 3.98Å
878	N	95.2	Very high	96	Very high	115 Å²	115	42.6 Å²	42.6	62%	0.615	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96	8.2	-178.2	-57.8	-32.8	0	0	0	112.6	N845 T846 L876	N845-N878 PolarHBondContact ND2-ND2 3.09Å; N845-N878 VanDerWaalsContact ND2-ND2 3.17Å; N845-N878 WeakPolarHBondContact O-CB 3.28Å; N845-N878 WeakPolarHBondContact OD1-CA 3.47Å; N845-N878 WeakPolarHBondContact OD1-CB 3.36Å; N845-N878 PolarHBondContact OD1-N 2.79Å; T846-N878 CarbonylContact C-O 3.59Å; L876-N878 VanDerWaalsContact C-N 3.31Å; L876-N878 PolarHBondContact O-N 3.18Å
879	I	96.7	Very high	95.3	Very high	13 Å²	13	40 Å²	40	7%	0.067	19%	0.191	C	C	.	.	S	Bend	trans	-73.8	159.9	173.2	77.8	177.1	0	0	0	110.9	T846 T849 L851 L871 L876 V881	T846-I879 WeakPolarHBondContact O-CA 3.49Å; T849-I879 HydrophobicContact CG2-CB 4.29Å; T849-I879 HydrophobicContact CG2-CD1 4.27Å; T849-I879 HydrophobicContact CG2-CG2 4Å; T849-I879 WeakPolarHBondContact O-CB 3.3Å; L851-I879 HydrophobicContact CB-CD1 3.89Å; L871-I879 HydrophobicContact CD1-CD1 4.05Å; L871-I879 HydrophobicContact CD1-CG1 4.28Å; L871-I879 HydrophobicContact CD2-CD1 3.62Å; L876-I879 HydrophobicContact CB-CD1 4.38Å; L876-I879 HydrophobicContact CB-CG2 3.93Å; L876-I879 HydrophobicContact CD2-CG2 3.96Å; L876-I879 VanDerWaalsContact O-CG1 3.29Å; L876-I879 WeakPolarHBondContact O-CG1 3.36Å; L876-I879 WeakPolarHBondContact O-CG2 3.41Å; I879-V881 HydrophobicContact CD1-CG2 4.3Å; I879-V881 HydrophobicContact CG1-CG2 3.9Å; I879-V881 PolarHBondContact O-N 3.35Å
880	L	97.3	Very high	94.7	Very high	37 Å²	37	35.4 Å²	35.4	19%	0.194	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	110	172.9	177.9	59.7	0	0	0	110.2	T849 V850 L851 I882 E925	T849-L880 PolarHBondContact O-N 3.01Å; V850-L880 CarbonylContact C-O 3.42Å; V850-L880 VanDerWaalsContact CA-O 3.28Å; V850-L880 WeakPolarHBondContact CA-O 3.43Å; V850-L880 HydrophobicContact CG1-CB 4.41Å; V850-L880 HydrophobicContact CG1-CD2 4.19Å; V850-L880 HydrophobicContact CG1-CG 4.24Å; V850-L880 HydrophobicContact CG2-CB 4.25Å; V850-L880 HydrophobicContact CG2-CD2 4.21Å; L851-L880 PolarHBondContact N-O 2.71Å; L880-I882 HydrophobicContact CD1-CG1 4.33Å; L880-I882 HydrophobicContact CD2-CD1 4.13Å; L880-I882 HydrophobicContact CD2-CG1 4.39Å; L880-I882 HydrophobicContact CG-CD1 4.3Å; L880-I882 HydrophobicContact CG-CG1 4.01Å; L880-E925 HydrophobicContact CD1-CB 4.32Å
881	V	98	Very high	94	Very high	5 Å²	5	36.5 Å²	36.5	3%	0.03	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	127.2	172.7	-175.2	0	0	0	0	109.6	L851 I867 L871 I879 I883 Y924 E925	L851-V881 HydrophobicContact CB-CG2 4.45Å; L851-V881 CarbonylContact O-C 3.53Å; L851-V881 WeakPolarHBondContact O-CA 3.49Å; I867-V881 HydrophobicContact CG2-CG1 4.34Å; L871-V881 HydrophobicContact CD1-CG2 3.55Å; I879-V881 HydrophobicContact CD1-CG2 4.3Å; I879-V881 HydrophobicContact CG1-CG2 3.9Å; I879-V881 PolarHBondContact O-N 3.35Å; V881-I883 HydrophobicContact CG1-CD1 3.85Å; V881-Y924 HydrophobicContact CB-CD1 3.55Å; V881-Y924 HydrophobicContact CB-CD2 4.45Å; V881-Y924 HydrophobicContact CB-CE1 3.92Å; V881-Y924 HydrophobicContact CB-CG 3.85Å; V881-Y924 HydrophobicContact CG1-CD1 3.99Å; V881-Y924 HydrophobicContact CG1-CD2 3.97Å; V881-Y924 HydrophobicContact CG1-CE1 4.28Å; V881-Y924 HydrophobicContact CG1-CE2 4.27Å; V881-Y924 HydrophobicContact CG1-CG 3.83Å; V881-Y924 HydrophobicContact CG2-CD1 3.95Å; V881-Y924 HydrophobicContact CG2-CE1 3.81Å; V881-E925 PolarHBondContact O-N 3.29Å
882	I	98.1	Very high	93.5	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	120.4	175.7	-45.4	-175.6	0	0	0	109.6	V850 L851 V852 V853 L880 E925 V927 L1011 R1014 M1015	V850-I882 HydrophobicContact CG1-CD1 4.18Å; V850-I882 HydrophobicContact CG1-CG1 4.37Å; L851-I882 PolarHBondContact O-N 2.81Å; V852-I882 WeakPolarHBondContact CA-O 3.49Å; V853-I882 PolarHBondContact N-O 3.35Å; L880-I882 HydrophobicContact CD1-CG1 4.33Å; L880-I882 HydrophobicContact CD2-CD1 4.13Å; L880-I882 HydrophobicContact CD2-CG1 4.39Å; L880-I882 HydrophobicContact CG-CD1 4.3Å; L880-I882 HydrophobicContact CG-CG1 4.01Å; I882-E925 CarbonylContact C-O 3.49Å; I882-E925 WeakPolarHBondContact CA-O 3.47Å; I882-E925 HydrophobicContact CG1-CB 4.16Å; I882-E925 HydrophobicContact CG2-CB 4.38Å; I882-V927 HydrophobicContact CG2-CG2 4Å; I882-L1011 HydrophobicContact CB-CD1 4.19Å; I882-L1011 HydrophobicContact CD1-CD1 3.8Å; I882-L1011 HydrophobicContact CG2-CD1 3.7Å; I882-R1014 HydrophobicContact CD1-CB 4.43Å; I882-M1015 HydrophobicContact CD1-CB 4.44Å; I882-M1015 HydrophobicContact CD1-CE 4.43Å; I882-M1015 HydrophobicContact CD1-CG 3.51Å
883	I	97.8	Very high	93	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	109.7	178.1	-53.5	-57	0	0	0	109.1	V853 L859 L864 I867 V881 T885 I915 A919 Y924 E925 V926 V927	V853-I883 HydrophobicContact CB-CD1 4.04Å; V853-I883 HydrophobicContact CG2-CD1 4.45Å; V853-I883 WeakPolarHBondContact O-CA 3.44Å; L859-I883 HydrophobicContact CD2-CG2 3.64Å; L864-I883 HydrophobicContact CD2-CG1 4.42Å; L864-I883 HydrophobicContact CG-CD1 4.4Å; L864-I883 HydrophobicContact CG-CG1 4.48Å; I867-I883 HydrophobicContact CD1-CD1 3.81Å; V881-I883 HydrophobicContact CG1-CD1 3.85Å; I883-T885 PolarHBondContact O-N 3.06Å; I883-I915 HydrophobicContact CG2-CG2 3.98Å; I883-A919 HydrophobicContact CG1-CB 4.29Å; I883-Y924 HydrophobicContact CD1-CD2 4.2Å; I883-Y924 HydrophobicContact CG1-CD2 4.15Å; I883-E925 PolarHBondContact N-O 3.44Å; I883-V926 HydrophobicContact CB-CG1 4.19Å; I883-V926 CarbonylContact O-C 3.59Å; I883-V926 VanDerWaalsContact O-CA 3.29Å; I883-V926 WeakPolarHBondContact O-CA 3.36Å; I883-V927 PolarHBondContact O-N 3.32Å
884	K	96.6	Very high	92.5	Very high	6 Å²	6	28.3 Å²	28.3	3%	0.026	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	112.9	163.8	174.6	-110.2	173.6	-161.9	0	107.3	T773 M777 V853 G854 T929	T773-K884 PolarHBondContact OG1-NZ 3.26Å; M777-K884 HydrophobicContact SD-CD 4.36Å; M777-K884 HydrophobicContact SD-CG 3.82Å; V853-K884 PolarHBondContact O-N 2.78Å; G854-K884 WeakPolarHBondContact CA-O 3.26Å; K884-T929 HydrophobicContact CD-CG2 4.46Å; K884-T929 WeakPolarHBondContact CE-OG1 3.44Å; K884-T929 HydrophobicContact CG-CG2 3.69Å
885	T	95	Very high	91.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.159	C	C	.	.			trans	-71.2	-169.5	-171.9	69.8	0	0	0	0	112.4	I883 N912 I915 L916 V927 D928 T929	I883-T885 PolarHBondContact O-N 3.06Å; T885-N912 WeakPolarHBondContact CB-OD1 2.97Å; T885-N912 PolarHBondContact OG1-OD1 3.44Å; T885-I915 HydrophobicContact CG2-CG2 4.48Å; T885-L916 HydrophobicContact CG2-CD2 3.73Å; T885-L916 HydrophobicContact CG2-CG 4.42Å; T885-V927 PolarHBondContact N-O 3.22Å; T885-V927 VanDerWaalsContact N-O 3.11Å; T885-V927 PolarHBondContact OG1-O 3.49Å; T885-D928 VanDerWaalsContact OG1-CA 3.3Å; T885-D928 WeakPolarHBondContact OG1-CA 3.45Å; T885-D928 PolarHBondContact OG1-OD1 3.21Å; T885-T929 PolarHBondContact O-OG1 3.18Å; T885-T929 VanDerWaalsContact O-OG1 3.09Å; T885-T929 PolarHBondContact OG1-N 3.48Å
886	L	94.4	Very high	90.9	Very high	1 Å²	1	28 Å²	28	1%	0.005	17%	0.174	C	C	.	.			trans	-61.9	167.6	174.6	-60.7	176.4	0	0	0	110.6	V856 L859 L908 E911 N912 I915 T929 F930	V856-L886 WeakPolarHBondContact O-CD2 3.22Å; L859-L886 HydrophobicContact CB-CD2 4.15Å; L859-L886 WeakPolarHBondContact O-CD2 3.47Å; L886-L908 HydrophobicContact CD1-CD2 4.26Å; L886-E911 HydrophobicContact CD1-CB 4.25Å; L886-E911 HydrophobicContact CD1-CG 4.24Å; L886-N912 HydrophobicContact CD1-CB 4.17Å; L886-N912 PolarHBondContact N-OD1 3.22Å; L886-I915 HydrophobicContact CD1-CD1 3.92Å; L886-I915 HydrophobicContact CD2-CD1 4.2Å; L886-I915 HydrophobicContact CG-CD1 3.74Å; L886-T929 CarbonylContact O-C 3.57Å; L886-T929 PolarHBondContact O-OG1 3.22Å; L886-F930 HydrophobicContact CB-CD2 3.88Å; L886-F930 VanDerWaalsContact O-CA 3.3Å; L886-F930 WeakPolarHBondContact O-CA 3.32Å; L886-F930 WeakPolarHBondContact O-CB 3.43Å; L886-F930 PolarHBondContact O-N 2.99Å
887	G	91.8	Very high	90.1	Very high	5 Å²	5	29.6 Å²	29.6	5%	0.052	18%	0.183	C	C	.	.			trans	-135.7	159.9	174.2	0	0	0	0	0	110.5	V856 G889	V856-G887 WeakPolarHBondContact CG1-O 3.09Å; V856-G887 PolarHBondContact O-N 2.79Å; V856-G887 VanDerWaalsContact O-N 3.14Å; G887-G889 PolarHBondContact O-N 2.86Å
888	I	87.9	Confident	89.5	Confident	1 Å²	1	31.2 Å²	31.2	1%	0.005	19%	0.189	C	C	.	.	S	Bend	trans	-72	119.4	169.5	-154.4	58	0	0	0	108.4	L684 I686 V905 T933 H937 F949	L684-I888 HydrophobicContact CD2-CD1 3.87Å; L684-I888 HydrophobicContact CD2-CG1 3.94Å; I686-I888 HydrophobicContact CD1-CD1 3.47Å; I686-I888 VanDerWaalsContact CD1-CD1 3.47Å; I686-I888 HydrophobicContact CD1-CG1 4.28Å; I888-V905 HydrophobicContact CD1-CG1 3.65Å; I888-T933 WeakPolarHBondContact CG2-O 3.42Å; I888-T933 PolarHBondContact N-OG1 3.11Å; I888-H937 HydrophobicContact CB-CB 4.24Å; I888-H937 HydrophobicContact CG1-CB 3.71Å; I888-H937 HydrophobicContact CG2-CB 3.43Å; I888-H937 VanDerWaalsContact CG2-CB 3.43Å; I888-F949 HydrophobicContact CG2-CE2 3.98Å; I888-F949 HydrophobicContact CG2-CZ 3.7Å; I888-F949 WeakPolarHBondContact O-CE2 3.1Å
889	G	83.8	Confident	89	Confident	2 Å²	2	30.4 Å²	30.4	2%	0.021	18%	0.18	C	C	.	.			trans	-169.3	165.5	-175.4	0	0	0	0	0	108.4	G887 H891	G887-G889 PolarHBondContact O-N 2.86Å; G889-H891 PolarHBondContact O-N 3.47Å
890	F	84.4	Confident	88.5	Confident	41 Å²	41	30.5 Å²	30.5	18%	0.18	18%	0.18	C	C	.	.	S	Bend	trans	58.7	20.8	178.2	-52.9	-84.5	0	0	0	113.8	V856 Q857 L892 V897 H898 F899 L900 C945 C947	V856-F890 HydrophobicContact CB-CE2 4.31Å; V856-F890 HydrophobicContact CG1-CD2 4.2Å; V856-F890 HydrophobicContact CG1-CE2 4.03Å; Q857-F890 HydrophobicContact CB-CD2 4.09Å; Q857-F890 HydrophobicContact CB-CE2 4.16Å; Q857-F890 HydrophobicContact CG-CD2 4.41Å; Q857-F890 VanDerWaalsContact OE1-CG 3.22Å; F890-L892 VanDerWaalsContact C-N 3.28Å; F890-V897 HydrophobicContact CD1-CG1 3.61Å; F890-V897 HydrophobicContact CE1-CG1 3.79Å; F890-H898 WeakPolarHBondContact CB-O 3.24Å; F890-H898 VanDerWaalsContact CD1-O 3.32Å; F890-H898 WeakPolarHBondContact CD1-O 3.35Å; F890-F899 CarbonylContact O-C 3.53Å; F890-F899 WeakPolarHBondContact O-CA 3.23Å; F890-L900 PolarHBondContact O-N 3.09Å; F890-C945 HydrophobicContact CD1-CB 4.47Å; F890-C945 HydrophobicContact CE1-CB 4.16Å; F890-C947 HydrophobicContact CD2-CB 4.16Å; F890-C947 HydrophobicContact CE2-CB 3.89Å; F890-C947 HydrophobicContact CZ-CB 4.28Å; F890-C947 VanDerWaalsContact CZ-SG 3.55Å
891	H	83.8	Confident	88.1	Confident	23 Å²	23	31.9 Å²	31.9	11%	0.106	19%	0.191	C	C	.	.			trans	-86.8	-0.8	175.9	60.8	-85	0	0	0	112.5	L684 G889 V905 H937	L684-H891 HydrophobicContact CD2-CB 4.17Å; G889-H891 PolarHBondContact O-N 3.47Å; H891-V905 HydrophobicContact CB-CG2 4.33Å; H891-H937 AromaticContact CD2-CD2 3.89Å; H891-H937 AromaticContact NE2-CD2 3.55Å
892	L	86.8	Confident	87.6	Confident	11 Å²	11	35.2 Å²	35.2	6%	0.058	21%	0.206	C	C	.	.	S	Bend	trans	-104	137.7	-178.8	-60.9	179.3	0	0	0	110.4	L600 T601 P629 F890 V894 F899 F940	L600-L892 HydrophobicContact CB-CD1 4.23Å; L600-L892 HydrophobicContact CB-CD2 3.77Å; L600-L892 HydrophobicContact CD1-CD2 3.73Å; L600-L892 HydrophobicContact CG-CD2 4.4Å; T601-L892 HydrophobicContact CG2-CB 3.95Å; T601-L892 HydrophobicContact CG2-CD1 4.04Å; T601-L892 HydrophobicContact CG2-CD2 4.18Å; T601-L892 HydrophobicContact CG2-CG 4.28Å; P629-L892 HydrophobicContact CB-CD1 4.2Å; F890-L892 VanDerWaalsContact C-N 3.28Å; L892-V894 VanDerWaalsContact C-N 3.34Å; L892-V894 HydrophobicContact CB-CG2 3.99Å; L892-V894 PolarHBondContact O-N 2.7Å; L892-F899 WeakPolarHBondContact O-CB 3.46Å; L892-F940 HydrophobicContact CD1-CE1 3.62Å; L892-F940 HydrophobicContact CD1-CE2 4.29Å; L892-F940 HydrophobicContact CD1-CZ 3.47Å; L892-F940 VanDerWaalsContact CD1-CZ 3.47Å
893	P	86.3	Confident	87.1	Confident	63 Å²	63	39.2 Å²	39.2	41%	0.409	23%	0.231	S	C	.	.			trans	-75.5	84.6	175.9	32	-34.4	0	0	0	110.2	N627 F899	N627-P893 WeakPolarHBondContact CB-O 3.31Å; P893-F899 HydrophobicContact CB-CG 4.49Å
894	V	85.8	Confident	86.8	Confident	11 Å²	11	42.9 Å²	42.9	7%	0.067	25%	0.247	C	C	.	.			trans	-105.2	132.3	179.6	174.1	0	0	0	0	109.6	P629 L892 V897	P629-V894 HydrophobicContact CB-CG2 3.85Å; P629-V894 HydrophobicContact CG-CG1 4.28Å; P629-V894 HydrophobicContact CG-CG2 3.9Å; L892-V894 VanDerWaalsContact C-N 3.34Å; L892-V894 HydrophobicContact CB-CG2 3.99Å; L892-V894 PolarHBondContact O-N 2.7Å; V894-V897 HydrophobicContact CB-CB 4.06Å; V894-V897 HydrophobicContact CB-CG2 4.45Å; V894-V897 HydrophobicContact CG1-CB 3.97Å; V894-V897 HydrophobicContact CG1-CG2 3.82Å; V894-V897 PolarHBondContact O-N 3.37Å
895	D	82.1	Confident	86.4	Confident	79 Å²	79	42.6 Å²	42.6	42%	0.422	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	138.3	-178.1	-68.6	-47.3	0	0	0	112	A626 N627 V897	A626-D895 WeakPolarHBondContact CA-OD2 2.98Å; A626-D895 HydrophobicContact CB-CB 4.18Å; N627-D895 PolarHBondContact N-OD2 3.32Å; N627-D895 PolarHBondContact ND2-OD2 3.46Å; N627-D895 PolarHBondContact O-N 2.94Å; D895-V897 PolarHBondContact O-N 3.06Å
896	G	75.1	Confident	86.2	Confident	93 Å²	93	45 Å²	45	96%	0.959	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.5	0.8	-176.6	0	0	0	0	0	114.6
897	V	80.4	Confident	86	Confident	39 Å²	39	48.7 Å²	48.7	24%	0.236	28%	0.277	C	S	.	.	S	Bend	trans	-118.9	131.3	177.5	179.4	0	0	0	0	108.4	F890 V894 D895 F899 C945	F890-V897 HydrophobicContact CD1-CG1 3.61Å; F890-V897 HydrophobicContact CE1-CG1 3.79Å; V894-V897 HydrophobicContact CB-CB 4.06Å; V894-V897 HydrophobicContact CB-CG2 4.45Å; V894-V897 HydrophobicContact CG1-CB 3.97Å; V894-V897 HydrophobicContact CG1-CG2 3.82Å; V894-V897 PolarHBondContact O-N 3.37Å; D895-V897 PolarHBondContact O-N 3.06Å; V897-F899 PolarHBondContact O-N 3.31Å; V897-C945 HydrophobicContact CG1-CB 4.37Å
898	H	81.6	Confident	86	Confident	110 Å²	110	49.6 Å²	49.6	51%	0.509	28%	0.281	S	S	.	.			trans	-61.4	132.4	175.1	174.3	53.7	0	0	0	109.5	Q857 F890 L900	Q857-H898 PolarHBondContact NE2-CD2 3.09Å; Q857-H898 PolarHBondContact NE2-NE2 3.04Å; F890-H898 WeakPolarHBondContact CB-O 3.24Å; F890-H898 VanDerWaalsContact CD1-O 3.32Å; F890-H898 WeakPolarHBondContact CD1-O 3.35Å; H898-L900 WeakPolarHBondContact NE2-CD2 3.12Å
899	F	85.2	Confident	86.1	Confident	99 Å²	99	50.7 Å²	50.7	43%	0.434	29%	0.286	S	S	.	.			trans	-122.5	155.1	176.2	75	-88.9	0	0	0	111	F890 L892 P893 V897	F890-F899 CarbonylContact O-C 3.53Å; F890-F899 WeakPolarHBondContact O-CA 3.23Å; L892-F899 WeakPolarHBondContact O-CB 3.46Å; P893-F899 HydrophobicContact CB-CG 4.49Å; V897-F899 PolarHBondContact O-N 3.31Å
900	L	87	Confident	86.5	Confident	14 Å²	14	56.9 Å²	56.9	7%	0.073	31%	0.312	C	S	.	.			trans	-109.5	134.4	-176.9	-62.1	174.1	0	0	0	110.6	Q857 F890 H898 E904 V905 L908	Q857-L900 HydrophobicContact CG-CD1 4.48Å; Q857-L900 VanDerWaalsContact NE2-CD2 3.34Å; F890-L900 PolarHBondContact O-N 3.09Å; H898-L900 WeakPolarHBondContact NE2-CD2 3.12Å; L900-E904 HydrophobicContact CB-CB 4.12Å; L900-E904 HydrophobicContact CD2-CB 3.86Å; L900-V905 HydrophobicContact CB-CG2 3.71Å; L900-V905 HydrophobicContact CD1-CG2 4.32Å; L900-L908 HydrophobicContact CD1-CD1 3.2Å; L900-L908 HydrophobicContact CD1-CG 3.93Å
901	T	88.3	Confident	86.9	Confident	67 Å²	67	57.7 Å²	57.7	41%	0.411	32%	0.317	S	S	.	.			trans	-70.3	165.3	167.7	62.8	0	0	0	0	111.1	T903 E904 V905	T901-T903 VanDerWaalsContact C-N 3.26Å; T901-T903 PolarHBondContact O-N 3.32Å; T901-E904 WeakPolarHBondContact CB-OE2 3.42Å; T901-E904 WeakPolarHBondContact CG2-OE2 3.41Å; T901-E904 PolarHBondContact N-OE2 2.87Å; T901-E904 PolarHBondContact O-N 3.44Å; T901-E904 VanDerWaalsContact O-N 3.08Å; T901-E904 VanDerWaalsContact OG1-CG 3.31Å; T901-E904 WeakPolarHBondContact OG1-CG 3.47Å; T901-E904 PolarHBondContact OG1-N 3.16Å; T901-E904 PolarHBondContact OG1-OE2 3.32Å; T901-V905 WeakPolarHBondContact O-CG2 3.36Å; T901-V905 PolarHBondContact O-N 3.06Å
902	Q	87.3	Confident	87.5	Confident	74 Å²	74	56.6 Å²	56.6	35%	0.346	31%	0.312	S	S	.	.	H	α-helix	trans	-50.7	-46.5	176.4	-171.4	65	31	0	0	112.3	L684 L685 E904 V905 Q906	L684-Q902 VanDerWaalsContact CD1-OE1 3.27Å; L685-Q902 VanDerWaalsContact N-NE2 3.15Å; L685-Q902 PolarHBondContact O-NE2 3.19Å; Q902-E904 PolarHBondContact O-N 2.96Å; Q902-V905 PolarHBondContact O-N 2.64Å; Q902-Q906 VanDerWaalsContact O-CG 3.31Å; Q902-Q906 WeakPolarHBondContact O-CG 3.45Å; Q902-Q906 PolarHBondContact O-N 2.94Å
903	T	88.8	Confident	87.8	Confident	85 Å²	85	60.1 Å²	60.1	52%	0.521	33%	0.33	S	S	.	.	H	α-helix	trans	-64.4	-39.9	179.9	-50.3	0	0	0	0	111.9	T901 Q906 N907	T901-T903 VanDerWaalsContact C-N 3.26Å; T901-T903 PolarHBondContact O-N 3.32Å; T903-Q906 WeakPolarHBondContact O-CB 3.48Å; T903-Q906 PolarHBondContact O-N 2.97Å; T903-N907 VanDerWaalsContact O-CG 3.3Å; T903-N907 PolarHBondContact O-N 3.36Å; T903-N907 PolarHBondContact O-ND2 3.44Å
904	E	90.1	Very high	88.3	Confident	76 Å²	76	59.7 Å²	59.7	36%	0.355	33%	0.328	S	S	.	.	H	α-helix	trans	-70.5	-36.1	178.3	-66.9	165.7	128.3	0	0	112	L900 T901 Q902 Q906 N907 L908	L900-E904 HydrophobicContact CB-CB 4.12Å; L900-E904 HydrophobicContact CD2-CB 3.86Å; T901-E904 WeakPolarHBondContact CB-OE2 3.42Å; T901-E904 WeakPolarHBondContact CG2-OE2 3.41Å; T901-E904 PolarHBondContact N-OE2 2.87Å; T901-E904 PolarHBondContact O-N 3.44Å; T901-E904 VanDerWaalsContact O-N 3.08Å; T901-E904 VanDerWaalsContact OG1-CG 3.31Å; T901-E904 WeakPolarHBondContact OG1-CG 3.47Å; T901-E904 PolarHBondContact OG1-N 3.16Å; T901-E904 PolarHBondContact OG1-OE2 3.32Å; Q902-E904 PolarHBondContact O-N 2.96Å; E904-Q906 VanDerWaalsContact C-N 3.32Å; E904-Q906 PolarHBondContact O-N 3.47Å; E904-N907 CarbonylContact O-C 3.39Å; E904-N907 PolarHBondContact O-N 3.13Å; E904-L908 PolarHBondContact O-N 2.95Å
905	V	89.1	Confident	88.8	Confident	1 Å²	1	59.1 Å²	59.1	1%	0.006	33%	0.325	C	S	.	.	H	α-helix	trans	-62.2	-40.1	171.4	172.5	0	0	0	0	111.1	L684 I686 I888 H891 L900 T901 Q902 N907 L908 H909	L684-V905 HydrophobicContact CD2-CG1 4.26Å; L684-V905 HydrophobicContact CG-CG1 4.48Å; I686-V905 HydrophobicContact CD1-CG1 3.83Å; I686-V905 HydrophobicContact CG1-CG1 3.92Å; I888-V905 HydrophobicContact CD1-CG1 3.65Å; H891-V905 HydrophobicContact CB-CG2 4.33Å; L900-V905 HydrophobicContact CB-CG2 3.71Å; L900-V905 HydrophobicContact CD1-CG2 4.32Å; T901-V905 WeakPolarHBondContact O-CG2 3.36Å; T901-V905 PolarHBondContact O-N 3.06Å; Q902-V905 PolarHBondContact O-N 2.64Å; V905-N907 VanDerWaalsContact C-N 3.34Å; V905-L908 WeakPolarHBondContact O-CB 3.42Å; V905-L908 PolarHBondContact O-N 3.36Å; V905-H909 PolarHBondContact O-N 2.69Å
906	Q	90.5	Very high	89.5	Confident	50 Å²	50	56.2 Å²	56.2	23%	0.234	31%	0.309	C	S	.	.	H	α-helix	trans	-65.4	-37.6	173.6	-68.5	172.3	-11.8	0	0	111.8	L685 I686 Q902 T903 E904 H909 K910	L685-Q906 PolarHBondContact O-NE2 3.49Å; I686-Q906 WeakPolarHBondContact O-CG 3.41Å; Q902-Q906 VanDerWaalsContact O-CG 3.31Å; Q902-Q906 WeakPolarHBondContact O-CG 3.45Å; Q902-Q906 PolarHBondContact O-N 2.94Å; T903-Q906 WeakPolarHBondContact O-CB 3.48Å; T903-Q906 PolarHBondContact O-N 2.97Å; E904-Q906 VanDerWaalsContact C-N 3.32Å; E904-Q906 PolarHBondContact O-N 3.47Å; Q906-H909 WeakPolarHBondContact O-CB 3.24Å; Q906-H909 PolarHBondContact O-N 3.02Å; Q906-K910 PolarHBondContact O-N 3.4Å
907	N	90.8	Very high	90.5	Very high	78 Å²	78	57.7 Å²	57.7	42%	0.417	29%	0.291	S	S	.	.	H	α-helix	trans	-67.8	-34.3	174.3	-71	-23.7	0	0	0	112.3	T903 E904 V905 H909 K910 E911	T903-N907 VanDerWaalsContact O-CG 3.3Å; T903-N907 PolarHBondContact O-N 3.36Å; T903-N907 PolarHBondContact O-ND2 3.44Å; E904-N907 CarbonylContact O-C 3.39Å; E904-N907 PolarHBondContact O-N 3.13Å; V905-N907 VanDerWaalsContact C-N 3.34Å; N907-H909 PolarHBondContact O-N 3.2Å; N907-K910 WeakPolarHBondContact O-CB 3.38Å; N907-K910 PolarHBondContact O-N 3.24Å; N907-K910 VanDerWaalsContact O-N 3.12Å; N907-E911 PolarHBondContact O-N 3.45Å
908	L	90.9	Very high	91.3	Very high	24 Å²	24	56.6 Å²	56.6	13%	0.126	29%	0.286	C	S	.	.	H	α-helix	trans	-60.1	-36.1	171.9	-76.4	-171.3	0	0	0	112.2	L886 L900 E904 V905 K910 E911 N912 F930	L886-L908 HydrophobicContact CD1-CD2 4.26Å; L900-L908 HydrophobicContact CD1-CD1 3.2Å; L900-L908 HydrophobicContact CD1-CG 3.93Å; E904-L908 PolarHBondContact O-N 2.95Å; V905-L908 WeakPolarHBondContact O-CB 3.42Å; V905-L908 PolarHBondContact O-N 3.36Å; L908-K910 VanDerWaalsContact C-N 3.32Å; L908-K910 PolarHBondContact O-N 3.44Å; L908-E911 PolarHBondContact O-N 3.11Å; L908-N912 WeakPolarHBondContact O-CB 3.39Å; L908-N912 PolarHBondContact O-N 3.34Å; L908-F930 HydrophobicContact CB-CE2 3.93Å; L908-F930 HydrophobicContact CB-CZ 4.36Å
909	H	91.1	Very high	92	Very high	24 Å²	24	51.3 Å²	51.3	11%	0.111	26%	0.262	C	S	.	.	H	α-helix	trans	-62	-42.6	175	179.9	53.1	0	0	0	111.5	I686 K687 V905 Q906 N907 N912 L913 F930	I686-H909 HydrophobicContact CG2-CB 3.62Å; K687-H909 WeakPolarHBondContact CE-CE1 3.47Å; K687-H909 WeakPolarHBondContact CE-NE2 3.06Å; V905-H909 PolarHBondContact O-N 2.69Å; Q906-H909 WeakPolarHBondContact O-CB 3.24Å; Q906-H909 PolarHBondContact O-N 3.02Å; N907-H909 PolarHBondContact O-N 3.2Å; H909-N912 WeakPolarHBondContact O-CB 3.45Å; H909-N912 PolarHBondContact O-N 3.4Å; H909-L913 WeakPolarHBondContact O-CG 3.39Å; H909-L913 PolarHBondContact O-N 3Å; H909-L913 VanDerWaalsContact O-N 3.09Å; H909-F930 HydrophobicContact CB-CE1 3.69Å; H909-F930 HydrophobicContact CB-CZ 3.84Å; H909-F930 AromaticContact CG-CE1 3.97Å; H909-F930 AromaticContact ND1-CD1 3.86Å; H909-F930 AromaticContact ND1-CE1 3.57Å
910	K	91.7	Very high	92.5	Very high	132 Å²	132	53.9 Å²	53.9	57%	0.574	27%	0.273	S	S	*	.	H	α-helix	trans	-62.8	-42.5	175	-62.4	176.5	-177.6	170.1	0	111.6	Q906 N907 L908 N912 L913 S914	Q906-K910 PolarHBondContact O-N 3.4Å; N907-K910 WeakPolarHBondContact O-CB 3.38Å; N907-K910 PolarHBondContact O-N 3.24Å; N907-K910 VanDerWaalsContact O-N 3.12Å; L908-K910 VanDerWaalsContact C-N 3.32Å; L908-K910 PolarHBondContact O-N 3.44Å; K910-N912 VanDerWaalsContact C-N 3.32Å; K910-N912 PolarHBondContact O-N 3.27Å; K910-L913 WeakPolarHBondContact O-CB 3.31Å; K910-L913 PolarHBondContact O-N 3.11Å; K910-S914 PolarHBondContact O-N 3.14Å; K910-S914 VanDerWaalsContact O-N 3.12Å; K910-S914 PolarHBondContact O-OG 3.1Å
911	E	93.3	Very high	92.9	Very high	59 Å²	59	61.1 Å²	61.1	28%	0.276	30%	0.304	S	S	.	.	H	α-helix	trans	-63.8	-38.3	175.4	-173.3	56.9	-149.6	0	0	111.7	N860 S861 L886 N907 L908 L913 S914 I915	N860-E911 WeakPolarHBondContact CA-OE1 3.46Å; N860-E911 HydrophobicContact CB-CG 4.47Å; N860-E911 WeakPolarHBondContact CB-OE1 3.37Å; S861-E911 PolarHBondContact N-OE1 3.2Å; L886-E911 HydrophobicContact CD1-CB 4.25Å; L886-E911 HydrophobicContact CD1-CG 4.24Å; N907-E911 PolarHBondContact O-N 3.45Å; L908-E911 PolarHBondContact O-N 3.11Å; E911-L913 VanDerWaalsContact C-N 3.31Å; E911-L913 PolarHBondContact O-N 3.48Å; E911-S914 WeakPolarHBondContact O-CB 3.28Å; E911-S914 PolarHBondContact O-N 3.13Å; E911-S914 VanDerWaalsContact O-N 3.13Å; E911-I915 HydrophobicContact CG-CD1 4.42Å; E911-I915 WeakPolarHBondContact O-CG1 3.48Å; E911-I915 PolarHBondContact O-N 3.35Å
912	N	95.3	Very high	93.3	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-60	-41.6	175.2	-165.1	71.1	0	0	0	111.8	T885 L886 L908 H909 K910 S914 I915 L916 D928 F930	T885-N912 WeakPolarHBondContact CB-OD1 2.97Å; T885-N912 PolarHBondContact OG1-OD1 3.44Å; L886-N912 HydrophobicContact CD1-CB 4.17Å; L886-N912 PolarHBondContact N-OD1 3.22Å; L908-N912 WeakPolarHBondContact O-CB 3.39Å; L908-N912 PolarHBondContact O-N 3.34Å; H909-N912 WeakPolarHBondContact O-CB 3.45Å; H909-N912 PolarHBondContact O-N 3.4Å; K910-N912 VanDerWaalsContact C-N 3.32Å; K910-N912 PolarHBondContact O-N 3.27Å; N912-S914 VanDerWaalsContact C-N 3.35Å; N912-I915 WeakPolarHBondContact O-CB 3.35Å; N912-I915 PolarHBondContact O-N 3.2Å; N912-L916 WeakPolarHBondContact O-CG 3.32Å; N912-L916 PolarHBondContact O-N 2.67Å; N912-D928 PolarHBondContact ND2-OD1 2.97Å; N912-F930 HydrophobicContact CB-CB 4.39Å; N912-F930 HydrophobicContact CB-CD2 4.49Å; N912-F930 HydrophobicContact CB-CG 4.26Å
913	L	94.2	Very high	93.6	Very high	84 Å²	84	58.8 Å²	58.8	44%	0.44	30%	0.296	S	S	.	.	H	α-helix	trans	-62	-42.2	174.1	-65.6	173.7	0	0	0	111.5	H909 K910 E911 I915 L916 E917	H909-L913 WeakPolarHBondContact O-CG 3.39Å; H909-L913 PolarHBondContact O-N 3Å; H909-L913 VanDerWaalsContact O-N 3.09Å; K910-L913 WeakPolarHBondContact O-CB 3.31Å; K910-L913 PolarHBondContact O-N 3.11Å; E911-L913 VanDerWaalsContact C-N 3.31Å; E911-L913 PolarHBondContact O-N 3.48Å; L913-I915 VanDerWaalsContact C-N 3.29Å; L913-I915 PolarHBondContact O-N 2.72Å; L913-L916 HydrophobicContact CD2-CD1 4.42Å; L913-L916 PolarHBondContact O-N 2.96Å; L913-E917 PolarHBondContact O-N 3.02Å
914	S	96.1	Very high	94	Very high	54 Å²	54	55.6 Å²	55.6	38%	0.378	27%	0.274	S	S	.	.	H	α-helix	trans	-60.7	-36.7	174.5	-61.4	0	0	0	0	112.7	K910 E911 N912 A918	K910-S914 PolarHBondContact O-N 3.14Å; K910-S914 VanDerWaalsContact O-N 3.12Å; K910-S914 PolarHBondContact O-OG 3.1Å; E911-S914 WeakPolarHBondContact O-CB 3.28Å; E911-S914 PolarHBondContact O-N 3.13Å; E911-S914 VanDerWaalsContact O-N 3.13Å; N912-S914 VanDerWaalsContact C-N 3.35Å; S914-A918 VanDerWaalsContact O-CB 3.29Å; S914-A918 WeakPolarHBondContact O-CB 3.3Å; S914-A918 PolarHBondContact O-N 2.77Å
915	I	96.6	Very high	94.3	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-66.7	-44.4	175	-67	164.4	0	0	0	110.9	L859 L864 I883 T885 L886 E911 N912 L913 A918 A919	L859-I915 HydrophobicContact CB-CD1 4.43Å; L859-I915 HydrophobicContact CD2-CD1 4.41Å; L859-I915 HydrophobicContact CD2-CG2 4.21Å; L859-I915 HydrophobicContact CG-CD1 4.23Å; L859-I915 WeakPolarHBondContact O-CD1 3.45Å; L864-I915 HydrophobicContact CD1-CG2 4.18Å; L864-I915 HydrophobicContact CD2-CG2 4.24Å; L864-I915 WeakPolarHBondContact CD2-O 3.31Å; I883-I915 HydrophobicContact CG2-CG2 3.98Å; T885-I915 HydrophobicContact CG2-CG2 4.48Å; L886-I915 HydrophobicContact CD1-CD1 3.92Å; L886-I915 HydrophobicContact CD2-CD1 4.2Å; L886-I915 HydrophobicContact CG-CD1 3.74Å; E911-I915 HydrophobicContact CG-CD1 4.42Å; E911-I915 WeakPolarHBondContact O-CG1 3.48Å; E911-I915 PolarHBondContact O-N 3.35Å; N912-I915 WeakPolarHBondContact O-CB 3.35Å; N912-I915 PolarHBondContact O-N 3.2Å; L913-I915 VanDerWaalsContact C-N 3.29Å; L913-I915 PolarHBondContact O-N 2.72Å; I915-A918 PolarHBondContact O-N 3.02Å; I915-A919 WeakPolarHBondContact O-CB 3.46Å; I915-A919 PolarHBondContact O-N 2.02Å
916	L	96.3	Very high	94.6	Very high	17 Å²	17	53 Å²	53	9%	0.089	26%	0.262	C	S	.	.	H	α-helix	trans	-60.7	-47.1	177.8	-70.3	173.2	0	0	0	111.4	D717 T885 N912 L913 A918 A919 K920 V926 D928	D717-L916 HydrophobicContact CB-CD1 4.49Å; D717-L916 HydrophobicContact CB-CD2 3.62Å; T885-L916 HydrophobicContact CG2-CD2 3.73Å; T885-L916 HydrophobicContact CG2-CG 4.42Å; N912-L916 WeakPolarHBondContact O-CG 3.32Å; N912-L916 PolarHBondContact O-N 2.67Å; L913-L916 HydrophobicContact CD2-CD1 4.42Å; L913-L916 PolarHBondContact O-N 2.96Å; L916-A918 PolarHBondContact O-N 3.27Å; L916-A919 PolarHBondContact O-N 3.47Å; L916-K920 WeakPolarHBondContact O-CB 3.24Å; L916-K920 PolarHBondContact O-N 3.41Å; L916-V926 HydrophobicContact CD2-CB 4.14Å; L916-V926 HydrophobicContact CD2-CG1 4.07Å; L916-V926 HydrophobicContact CD2-CG2 4.2Å; L916-D928 HydrophobicContact CD2-CB 4.43Å
917	E	96.4	Very high	94.9	Very high	125 Å²	125	50.6 Å²	50.6	58%	0.584	25%	0.251	S	S	*	.	H	α-helix	trans	-62.9	-41.9	177	-71.4	-58.5	150.5	0	0	112.2	L913 K920 K921	L913-E917 PolarHBondContact O-N 3.02Å; E917-K920 PolarHBondContact O-N 3.04Å; E917-K921 WeakPolarHBondContact O-CB 3.45Å; E917-K921 PolarHBondContact O-N 3.4Å
918	A	96.6	Very high	95.1	Very high	15 Å²	15	47.4 Å²	47.4	12%	0.124	23%	0.234	C	C	.	.	H	α-helix	trans	-65	-40.1	175.4	0	0	0	0	0	112.2	L864 S914 I915 L916 K921 Y922	L864-A918 HydrophobicContact CB-CB 4.42Å; L864-A918 HydrophobicContact CD2-CB 3.73Å; S914-A918 VanDerWaalsContact O-CB 3.29Å; S914-A918 WeakPolarHBondContact O-CB 3.3Å; S914-A918 PolarHBondContact O-N 2.77Å; I915-A918 PolarHBondContact O-N 3.02Å; L916-A918 PolarHBondContact O-N 3.27Å; A918-K921 WeakPolarHBondContact O-CB 3.45Å; A918-K921 PolarHBondContact O-N 3.19Å; A918-Y922 WeakPolarHBondContact O-CD2 3.36Å; A918-Y922 PolarHBondContact O-N 3.14Å; A918-Y922 VanDerWaalsContact O-N 3.15Å
919	A	96.5	Very high	95.3	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62.5	-47.1	177.1	0	0	0	0	0	110.7	L864 I883 I915 L916 K921 Y922 G923 Y924 V926	L864-A919 HydrophobicContact CD2-CB 3.83Å; L864-A919 VanDerWaalsContact CD2-N 3.33Å; I883-A919 HydrophobicContact CG1-CB 4.29Å; I915-A919 WeakPolarHBondContact O-CB 3.46Å; I915-A919 PolarHBondContact O-N 2.02Å; L916-A919 PolarHBondContact O-N 3.47Å; A919-K921 VanDerWaalsContact C-N 3.34Å; A919-K921 PolarHBondContact O-N 2.79Å; A919-Y922 CarbonylContact O-C 3.56Å; A919-Y922 PolarHBondContact O-N 3.07Å; A919-Y922 VanDerWaalsContact O-N 3.15Å; A919-G923 PolarHBondContact O-N 2.99Å; A919-G923 VanDerWaalsContact O-N 3.08Å; A919-Y924 PolarHBondContact O-N 3.13Å; A919-V926 HydrophobicContact CB-CG1 3.45Å; A919-V926 VanDerWaalsContact CB-CG1 3.45Å
920	K	95.3	Very high	95.4	Very high	152 Å²	152	45.4 Å²	45.4	66%	0.661	22%	0.224	S	C	*	.	H	α-helix	trans	-58.6	-43.9	175.9	-172.2	178	-179.4	-178.2	0	112	L916 E917 Y922 G923	L916-K920 WeakPolarHBondContact O-CB 3.24Å; L916-K920 PolarHBondContact O-N 3.41Å; E917-K920 PolarHBondContact O-N 3.04Å; K920-Y922 VanDerWaalsContact C-N 3.28Å; K920-Y922 PolarHBondContact O-N 3.46Å; K920-G923 PolarHBondContact O-N 3.01Å
921	K	96.3	Very high	95.4	Very high	166 Å²	166	40.1 Å²	40.1	72%	0.722	20%	0.203	S	C	*	.	H	α-helix	trans	-57.8	-38.5	176.1	180	-179.5	178.5	178	0	112.9	E917 A918 A919 G923	E917-K921 WeakPolarHBondContact O-CB 3.45Å; E917-K921 PolarHBondContact O-N 3.4Å; A918-K921 WeakPolarHBondContact O-CB 3.45Å; A918-K921 PolarHBondContact O-N 3.19Å; A919-K921 VanDerWaalsContact C-N 3.34Å; A919-K921 PolarHBondContact O-N 2.79Å; K921-G923 VanDerWaalsContact C-N 3.32Å
922	Y	95.4	Very high	95.4	Very high	57 Å²	57	37.4 Å²	37.4	22%	0.224	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	2.2	178.3	-66.7	-59.6	0	0	0	113.9	L864 Q865 H868 A918 A919 K920 Y924	L864-Y922 HydrophobicContact CB-CD2 4.3Å; L864-Y922 HydrophobicContact CB-CE2 4.37Å; Q865-Y922 HydrophobicContact CG-CE2 4.36Å; H868-Y922 HydrophobicContact CB-CD1 3.95Å; H868-Y922 HydrophobicContact CB-CE1 3.92Å; H868-Y922 HydrophobicContact CB-CG 4.38Å; H868-Y922 AromaticContact CD2-CE1 3.79Å; H868-Y922 AromaticContact CE1-CD1 3.95Å; H868-Y922 AromaticContact CG-CD1 3.55Å; H868-Y922 AromaticContact CG-CE1 3.64Å; H868-Y922 AromaticContact ND1-CD1 3.5Å; H868-Y922 WeakPolarHBondContact ND1-CD1 3.47Å; A918-Y922 WeakPolarHBondContact O-CD2 3.36Å; A918-Y922 PolarHBondContact O-N 3.14Å; A918-Y922 VanDerWaalsContact O-N 3.15Å; A919-Y922 CarbonylContact O-C 3.56Å; A919-Y922 PolarHBondContact O-N 3.07Å; A919-Y922 VanDerWaalsContact O-N 3.15Å; K920-Y922 VanDerWaalsContact C-N 3.28Å; K920-Y922 PolarHBondContact O-N 3.46Å; Y922-Y924 HydrophobicContact CD2-CE2 4.24Å; Y922-Y924 HydrophobicContact CG-CE2 4.15Å; Y922-Y924 WeakPolarHBondContact O-CD1 3.41Å; Y922-Y924 PolarHBondContact O-N 3.44Å
923	G	94.3	Very high	95.3	Very high	36 Å²	36	37.6 Å²	37.6	37%	0.371	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	21.3	-176.2	0	0	0	0	0	113.3	A919 K920 K921 R1020	A919-G923 PolarHBondContact O-N 2.99Å; A919-G923 VanDerWaalsContact O-N 3.08Å; K920-G923 PolarHBondContact O-N 3.01Å; K921-G923 VanDerWaalsContact C-N 3.32Å; G923-R1020 PolarHBondContact O-NH1 3.12Å; G923-R1020 PolarHBondContact O-NH2 2.95Å
924	Y	96.4	Very high	95.2	Very high	18 Å²	18	33.6 Å²	33.6	7%	0.071	17%	0.171	C	C	.	.			trans	-79.1	146.4	176.3	-58.3	-20.4	0	0	0	110.6	I867 H868 V881 I883 A919 Y922	I867-Y924 HydrophobicContact CB-CE2 4.39Å; I867-Y924 HydrophobicContact CG2-CE2 4.09Å; H868-Y924 WeakPolarHBondContact CA-OH 3.29Å; H868-Y924 VanDerWaalsContact CB-OH 3.29Å; H868-Y924 WeakPolarHBondContact CB-OH 3.49Å; H868-Y924 PolarHBondContact N-OH 3.48Å; H868-Y924 PolarHBondContact ND1-OH 2.99Å; V881-Y924 HydrophobicContact CB-CD1 3.55Å; V881-Y924 HydrophobicContact CB-CD2 4.45Å; V881-Y924 HydrophobicContact CB-CE1 3.92Å; V881-Y924 HydrophobicContact CB-CG 3.85Å; V881-Y924 HydrophobicContact CG1-CD1 3.99Å; V881-Y924 HydrophobicContact CG1-CD2 3.97Å; V881-Y924 HydrophobicContact CG1-CE1 4.28Å; V881-Y924 HydrophobicContact CG1-CE2 4.27Å; V881-Y924 HydrophobicContact CG1-CG 3.83Å; V881-Y924 HydrophobicContact CG2-CD1 3.95Å; V881-Y924 HydrophobicContact CG2-CE1 3.81Å; I883-Y924 HydrophobicContact CD1-CD2 4.2Å; I883-Y924 HydrophobicContact CG1-CD2 4.15Å; A919-Y924 PolarHBondContact O-N 3.13Å; Y922-Y924 HydrophobicContact CD2-CE2 4.24Å; Y922-Y924 HydrophobicContact CG-CE2 4.15Å; Y922-Y924 WeakPolarHBondContact O-CD1 3.41Å; Y922-Y924 PolarHBondContact O-N 3.44Å
925	E	96.6	Very high	94.9	Very high	17 Å²	17	31 Å²	31	8%	0.079	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	160.5	171.3	-160.9	57.5	-149.3	0	0	109.3	S715 G716 L880 V881 I882 I883 R1014 R1020	S715-E925 WeakPolarHBondContact CA-OE1 3.46Å; G716-E925 PolarHBondContact N-OE1 3.23Å; L880-E925 HydrophobicContact CD1-CB 4.32Å; V881-E925 PolarHBondContact O-N 3.29Å; I882-E925 CarbonylContact C-O 3.49Å; I882-E925 WeakPolarHBondContact CA-O 3.47Å; I882-E925 HydrophobicContact CG1-CB 4.16Å; I882-E925 HydrophobicContact CG2-CB 4.38Å; I883-E925 PolarHBondContact N-O 3.44Å; E925-R1014 HydrophobicContact CG-CB 3.83Å; E925-R1014 HydrophobicContact CG-CG 3.97Å; E925-R1014 WeakPolarHBondContact OE1-CD 3.42Å; E925-R1020 IonicContact OE2-CZ 2.98Å; E925-R1020 IonicContact OE2-NH2 2.74Å; E925-R1020 PolarHBondContact OE2-NH2 3.32Å
926	V	95.9	Very high	94.7	Very high	4 Å²	4	31.6 Å²	31.6	2%	0.024	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	153.5	-172.5	-72.5	0	0	0	0	111.4	S715 G716 D717 I883 L916 A919	S715-V926 WeakPolarHBondContact OG-CG2 3.38Å; G716-V926 CarbonylContact C-O 3.58Å; G716-V926 WeakPolarHBondContact CA-O 3.39Å; D717-V926 HydrophobicContact CB-CB 4.42Å; D717-V926 HydrophobicContact CB-CG2 3.47Å; D717-V926 VanDerWaalsContact CB-CG2 3.47Å; D717-V926 VanDerWaalsContact CG-CG2 3.47Å; D717-V926 WeakPolarHBondContact OD1-CG2 3.44Å; I883-V926 HydrophobicContact CB-CG1 4.19Å; I883-V926 CarbonylContact O-C 3.59Å; I883-V926 VanDerWaalsContact O-CA 3.29Å; I883-V926 WeakPolarHBondContact O-CA 3.36Å; L916-V926 HydrophobicContact CD2-CB 4.14Å; L916-V926 HydrophobicContact CD2-CG1 4.07Å; L916-V926 HydrophobicContact CD2-CG2 4.2Å; A919-V926 HydrophobicContact CB-CG1 3.45Å; A919-V926 VanDerWaalsContact CB-CG1 3.45Å
927	V	96.1	Very high	94.5	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	106.2	163.2	-178.9	0	0	0	0	106.3	M777 I882 I883 T885 T929 C1007 I1010 L1011	M777-V927 HydrophobicContact CE-CG1 4.36Å; I882-V927 HydrophobicContact CG2-CG2 4Å; I883-V927 PolarHBondContact O-N 3.32Å; T885-V927 PolarHBondContact N-O 3.22Å; T885-V927 VanDerWaalsContact N-O 3.11Å; T885-V927 PolarHBondContact OG1-O 3.49Å; V927-T929 VanDerWaalsContact C-N 3.33Å; V927-T929 HydrophobicContact CG1-CG2 4.01Å; V927-T929 PolarHBondContact O-N 3.32Å; V927-C1007 HydrophobicContact CG1-CB 4.45Å; V927-I1010 HydrophobicContact CG1-CB 4.27Å; V927-I1010 HydrophobicContact CG1-CG2 4.09Å; V927-I1010 HydrophobicContact CG2-CG2 4.22Å; V927-L1011 HydrophobicContact CG2-CB 4.04Å; V927-L1011 HydrophobicContact CG2-CD1 4.03Å
928	D	95.2	Very high	94.4	Very high	12 Å²	12	26.6 Å²	26.6	6%	0.064	13%	0.131	C	C	.	.			trans	-79.4	81.4	-174.7	-172	21.1	0	0	0	112.2	G716 D717 T885 N912 L916 F930 T931 I932	G716-D928 PolarHBondContact O-N 3.18Å; D717-D928 HydrophobicContact CB-CB 3.95Å; T885-D928 VanDerWaalsContact OG1-CA 3.3Å; T885-D928 WeakPolarHBondContact OG1-CA 3.45Å; T885-D928 PolarHBondContact OG1-OD1 3.21Å; N912-D928 PolarHBondContact ND2-OD1 2.97Å; L916-D928 HydrophobicContact CD2-CB 4.43Å; D928-F930 PolarHBondContact O-N 3.38Å; D928-F930 PolarHBondContact OD1-N 3.12Å; D928-T931 WeakPolarHBondContact OD2-CB 3.24Å; D928-T931 PolarHBondContact OD2-OG1 3.15Å; D928-I932 WeakPolarHBondContact O-CD1 3.04Å; D928-I932 WeakPolarHBondContact O-CG1 3.41Å
929	T	94.9	Very high	94.1	Very high	5 Å²	5	26.6 Å²	26.6	3%	0.031	13%	0.128	C	C	.	.	H	α-helix	trans	-70.9	-20.8	-177.9	56.6	0	0	0	0	112.9	K884 T885 L886 V927 T933 C1007	K884-T929 HydrophobicContact CD-CG2 4.46Å; K884-T929 WeakPolarHBondContact CE-OG1 3.44Å; K884-T929 HydrophobicContact CG-CG2 3.69Å; T885-T929 PolarHBondContact O-OG1 3.18Å; T885-T929 VanDerWaalsContact O-OG1 3.09Å; T885-T929 PolarHBondContact OG1-N 3.48Å; L886-T929 CarbonylContact O-C 3.57Å; L886-T929 PolarHBondContact O-OG1 3.22Å; V927-T929 VanDerWaalsContact C-N 3.33Å; V927-T929 HydrophobicContact CG1-CG2 4.01Å; V927-T929 PolarHBondContact O-N 3.32Å; T929-T933 WeakPolarHBondContact O-CB 3.34Å; T929-T933 WeakPolarHBondContact O-CG2 3.11Å; T929-T933 PolarHBondContact O-N 3.32Å; T929-T933 PolarHBondContact O-OG1 2.89Å; T929-C1007 HydrophobicContact CG2-CB 3.98Å
930	F	94.1	Very high	94	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-66.9	-51.6	-179	-168.8	-85	0	0	0	110.4	I686 L886 L908 H909 N912 D928 I932 T933 M934	I686-F930 HydrophobicContact CD1-CE1 4.15Å; I686-F930 HydrophobicContact CD1-CZ 4.06Å; I686-F930 HydrophobicContact CG2-CE1 3.95Å; I686-F930 HydrophobicContact CG2-CZ 4.06Å; L886-F930 HydrophobicContact CB-CD2 3.88Å; L886-F930 VanDerWaalsContact O-CA 3.3Å; L886-F930 WeakPolarHBondContact O-CA 3.32Å; L886-F930 WeakPolarHBondContact O-CB 3.43Å; L886-F930 PolarHBondContact O-N 2.99Å; L908-F930 HydrophobicContact CB-CE2 3.93Å; L908-F930 HydrophobicContact CB-CZ 4.36Å; H909-F930 HydrophobicContact CB-CE1 3.69Å; H909-F930 HydrophobicContact CB-CZ 3.84Å; H909-F930 AromaticContact CG-CE1 3.97Å; H909-F930 AromaticContact ND1-CD1 3.86Å; H909-F930 AromaticContact ND1-CE1 3.57Å; N912-F930 HydrophobicContact CB-CB 4.39Å; N912-F930 HydrophobicContact CB-CD2 4.49Å; N912-F930 HydrophobicContact CB-CG 4.26Å; D928-F930 PolarHBondContact O-N 3.38Å; D928-F930 PolarHBondContact OD1-N 3.12Å; F930-I932 VanDerWaalsContact C-N 3.32Å; F930-I932 PolarHBondContact O-N 2.87Å; F930-T933 PolarHBondContact O-N 3.33Å; F930-T933 PolarHBondContact O-OG1 3.31Å; F930-M934 HydrophobicContact CD1-SD 4.44Å; F930-M934 HydrophobicContact CE1-SD 4.34Å; F930-M934 PolarHBondContact O-N 2.98Å
931	T	91.8	Very high	93.8	Very high	21 Å²	21	19.8 Å²	19.8	13%	0.129	10%	0.099	C	C	.	.	H	α-helix	trans	-63.7	-36.9	179.3	-60.2	0	0	0	0	112	W742 D928 M934	W742-T931 HydrophobicContact CH2-CG2 3.81Å; W742-T931 HydrophobicContact CZ2-CG2 4.29Å; D928-T931 WeakPolarHBondContact OD2-CB 3.24Å; D928-T931 PolarHBondContact OD2-OG1 3.15Å; T931-M934 HydrophobicContact CG2-CE 4.01Å; T931-M934 WeakPolarHBondContact O-CG 3.23Å
932	I	93.4	Very high	93.2	Very high	2 Å²	2	16.1 Å²	16.1	1%	0.01	8%	0.084	C	C	.	.	H	α-helix	trans	-66.8	-39.2	177.2	-64.5	167.1	0	0	0	111	W722 W742 D928 F930 I1003 V1006 I1010	W722-I932 HydrophobicContact CH2-CG2 4.37Å; W722-I932 HydrophobicContact CZ2-CG2 3.62Å; W722-I932 PolarHBondContact NE1-O 3.25Å; W742-I932 HydrophobicContact CD2-CG1 4.11Å; W742-I932 HydrophobicContact CH2-CG1 4.49Å; W742-I932 HydrophobicContact CZ2-CG1 3.99Å; D928-I932 WeakPolarHBondContact O-CD1 3.04Å; D928-I932 WeakPolarHBondContact O-CG1 3.41Å; F930-I932 VanDerWaalsContact C-N 3.32Å; F930-I932 PolarHBondContact O-N 2.87Å; I932-I1003 HydrophobicContact CG2-CG2 4.27Å; I932-V1006 HydrophobicContact CD1-CG1 4.31Å; I932-V1006 HydrophobicContact CG2-CG1 4.2Å; I932-I1010 HydrophobicContact CD1-CD1 3.61Å
933	T	93.3	Very high	92.4	Very high	5 Å²	5	14.5 Å²	14.5	3%	0.031	9%	0.085	C	C	.	.	H	α-helix	trans	-87.8	-28.7	-171.3	57.5	0	0	0	0	113.5	I888 T929 F930 G935 R936 H937 F949 I1003	I888-T933 WeakPolarHBondContact CG2-O 3.42Å; I888-T933 PolarHBondContact N-OG1 3.11Å; T929-T933 WeakPolarHBondContact O-CB 3.34Å; T929-T933 WeakPolarHBondContact O-CG2 3.11Å; T929-T933 PolarHBondContact O-N 3.32Å; T929-T933 PolarHBondContact O-OG1 2.89Å; F930-T933 PolarHBondContact O-N 3.33Å; F930-T933 PolarHBondContact O-OG1 3.31Å; T933-G935 PolarHBondContact O-N 3Å; T933-R936 CarbonylContact O-C 3.55Å; T933-R936 VanDerWaalsContact O-C 3.25Å; T933-R936 WeakPolarHBondContact O-CA 3.48Å; T933-R936 PolarHBondContact O-N 3.24Å; T933-H937 PolarHBondContact O-N 3.16Å; T933-F949 HydrophobicContact CG2-CD2 3.71Å; T933-F949 HydrophobicContact CG2-CE2 3.69Å; T933-F949 HydrophobicContact CG2-CG 4.41Å; T933-F949 HydrophobicContact CG2-CZ 4.37Å; T933-I1003 HydrophobicContact CG2-CG2 3.7Å
934	M	91.4	Very high	91.7	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-58.4	-41.1	-172.3	64	-177.7	-172	0	0	115.2	V679 I686 F930 T931 R936 H937	V679-M934 HydrophobicContact CB-CE 4.23Å; V679-M934 HydrophobicContact CG1-CE 3.05Å; V679-M934 WeakPolarHBondContact O-CE 3.43Å; V679-M934 WeakPolarHBondContact O-CG 3.26Å; I686-M934 HydrophobicContact CD1-CB 3.46Å; I686-M934 VanDerWaalsContact CD1-CB 3.46Å; I686-M934 HydrophobicContact CD1-SD 4.47Å; F930-M934 HydrophobicContact CD1-SD 4.44Å; F930-M934 HydrophobicContact CE1-SD 4.34Å; F930-M934 PolarHBondContact O-N 2.98Å; T931-M934 HydrophobicContact CG2-CE 4.01Å; T931-M934 WeakPolarHBondContact O-CG 3.23Å; M934-R936 PolarHBondContact O-N 3Å; M934-H937 PolarHBondContact O-ND1 3.36Å
935	G	90.7	Very high	91	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-20.3	175.2	0	0	0	0	0	113.6	F678 V679 T933	F678-G935 WeakPolarHBondContact CE2-O 3.48Å; V679-G935 WeakPolarHBondContact O-CA 3.28Å; V679-G935 PolarHBondContact O-N 2.83Å; T933-G935 PolarHBondContact O-N 3Å
936	R	92.6	Very high	90.4	Very high	11 Å²	11	17.1 Å²	17.1	4%	0.042	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.9	29.1	-175.1	-59.3	-176.8	71.6	178.5	2.7	112.4	F678 W722 T933 M934 K938 E939 F949 I1003	F678-R936 HydrophobicContact CE2-CG 4.26Å; F678-R936 HydrophobicContact CZ-CG 4.2Å; W722-R936 HydrophobicContact CD2-CG 4.36Å; W722-R936 HydrophobicContact CG-CG 4.38Å; W722-R936 VanDerWaalsContact CH2-NH1 3.29Å; W722-R936 HydrophobicContact CZ2-CG 4.47Å; T933-R936 CarbonylContact O-C 3.55Å; T933-R936 VanDerWaalsContact O-C 3.25Å; T933-R936 WeakPolarHBondContact O-CA 3.48Å; T933-R936 PolarHBondContact O-N 3.24Å; M934-R936 PolarHBondContact O-N 3Å; R936-K938 PolarHBondContact O-N 2.78Å; R936-K938 VanDerWaalsContact O-N 3.08Å; R936-E939 HydrophobicContact CB-CG 4.49Å; R936-E939 IonicContact CZ-OE1 3.7Å; R936-E939 IonicContact CZ-OE2 2.82Å; R936-E939 VanDerWaalsContact NE-CD 3.27Å; R936-E939 IonicContact NE-OE1 3.11Å; R936-E939 PolarHBondContact NE-OE1 3.41Å; R936-E939 IonicContact NE-OE2 2.73Å; R936-E939 PolarHBondContact NE-OE2 2.85Å; R936-E939 IonicContact NH2-OE1 3.65Å; R936-E939 IonicContact NH2-OE2 3.51Å; R936-E939 PolarHBondContact NH2-OE2 2.95Å; R936-E939 WeakPolarHBondContact O-CB 3.49Å; R936-E939 PolarHBondContact O-N 2.78Å; R936-F949 WeakPolarHBondContact O-CE1 3.3Å; R936-I1003 HydrophobicContact CB-CD1 3.55Å; R936-I1003 HydrophobicContact CB-CG1 4.35Å; R936-I1003 HydrophobicContact CG-CD1 4.46Å
937	H	91.8	Very high	89.9	Confident	6 Å²	6	17.2 Å²	17.2	3%	0.028	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-57.3	-27.9	-175.6	70.3	-89.6	0	0	0	114.1	D681 L684 I888 H891 T933 M934 E939	D681-H937 IonicContact OD1-CE1 3.27Å; L684-H937 VanDerWaalsContact CB-CE1 3.46Å; L684-H937 WeakPolarHBondContact CB-CE1 3.03Å; L684-H937 HydrophobicContact CD2-CB 4.37Å; I888-H937 HydrophobicContact CB-CB 4.24Å; I888-H937 HydrophobicContact CG1-CB 3.71Å; I888-H937 HydrophobicContact CG2-CB 3.43Å; I888-H937 VanDerWaalsContact CG2-CB 3.43Å; H891-H937 AromaticContact CD2-CD2 3.89Å; H891-H937 AromaticContact NE2-CD2 3.55Å; T933-H937 PolarHBondContact O-N 3.16Å; M934-H937 PolarHBondContact O-ND1 3.36Å; H937-E939 VanDerWaalsContact C-N 3.26Å; H937-E939 PolarHBondContact O-N 3.13Å
938	K	93.1	Very high	89.6	Confident	32 Å²	32	18.9 Å²	18.9	14%	0.139	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-71.6	-15.4	177.5	-61.1	-174.2	176.4	174	0	113.8	F597 D598 L600 R661 D681 R936 F940	F597-K938 HydrophobicContact CE1-CB 4.05Å; F597-K938 HydrophobicContact CE1-CD 3.97Å; F597-K938 HydrophobicContact CE2-CB 4.5Å; F597-K938 HydrophobicContact CZ-CB 3.69Å; F597-K938 HydrophobicContact CZ-CD 4.46Å; D598-K938 IonicContact OD1-NZ 3.59Å; D598-K938 PolarHBondContact OD1-NZ 2.01Å; L600-K938 HydrophobicContact CD1-CG 4.02Å; L600-K938 HydrophobicContact CD2-CB 3.89Å; L600-K938 HydrophobicContact CD2-CD 4.4Å; L600-K938 HydrophobicContact CD2-CG 4.01Å; R661-K938 VanDerWaalsContact CZ-O 3.31Å; R661-K938 PolarHBondContact NH1-O 3.01Å; R661-K938 PolarHBondContact NH2-O 2.74Å; D681-K938 IonicContact OD1-NZ 2.73Å; R936-K938 PolarHBondContact O-N 2.78Å; R936-K938 VanDerWaalsContact O-N 3.08Å; K938-F940 VanDerWaalsContact C-N 3.32Å; K938-F940 PolarHBondContact O-N 3.05Å
939	E	92.2	Very high	89.4	Confident	14 Å²	14	19.1 Å²	19.1	7%	0.065	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-97.1	27.4	-169.2	-60.9	176.8	-160.8	0	0	114	F597 L632 R664 R936 H937 I1003	F597-E939 HydrophobicContact CE2-CG 3.86Å; F597-E939 HydrophobicContact CZ-CG 3.83Å; L632-E939 HydrophobicContact CD1-CB 3.85Å; L632-E939 HydrophobicContact CD1-CG 4.21Å; R664-E939 IonicContact CZ-OE1 3.41Å; R664-E939 IonicContact NE-OE1 3.1Å; R664-E939 PolarHBondContact NE-OE1 2.74Å; R664-E939 IonicContact NH2-OE1 2.82Å; R936-E939 HydrophobicContact CB-CG 4.49Å; R936-E939 IonicContact CZ-OE1 3.7Å; R936-E939 IonicContact CZ-OE2 2.82Å; R936-E939 VanDerWaalsContact NE-CD 3.27Å; R936-E939 IonicContact NE-OE1 3.11Å; R936-E939 PolarHBondContact NE-OE1 3.41Å; R936-E939 IonicContact NE-OE2 2.73Å; R936-E939 PolarHBondContact NE-OE2 2.85Å; R936-E939 IonicContact NH2-OE1 3.65Å; R936-E939 IonicContact NH2-OE2 3.51Å; R936-E939 PolarHBondContact NH2-OE2 2.95Å; R936-E939 WeakPolarHBondContact O-CB 3.49Å; R936-E939 PolarHBondContact O-N 2.78Å; H937-E939 VanDerWaalsContact C-N 3.26Å; H937-E939 PolarHBondContact O-N 3.13Å; E939-I1003 HydrophobicContact CB-CD1 3.93Å
940	F	93.3	Very high	89.3	Confident	1 Å²	1	19.5 Å²	19.5	0%	0.004	10%	0.103	C	C	.	.			trans	-65.1	147.8	171.2	66.6	-87.7	0	0	0	110.5	L600 P629 L630 G631 L632 L892 K938 H948 F949	L600-F940 HydrophobicContact CB-CE1 4.37Å; L600-F940 HydrophobicContact CB-CZ 4.46Å; L600-F940 HydrophobicContact CD2-CE1 4.3Å; P629-F940 HydrophobicContact CB-CE2 4.13Å; P629-F940 HydrophobicContact CB-CZ 4.46Å; L630-F940 VanDerWaalsContact C-CE2 3.45Å; L630-F940 WeakPolarHBondContact O-CE2 3.1Å; L630-F940 WeakPolarHBondContact O-CZ 3.47Å; G631-F940 CarbonylContact C-O 3.5Å; G631-F940 WeakPolarHBondContact CA-O 3.41Å; L632-F940 PolarHBondContact N-O 3.26Å; L892-F940 HydrophobicContact CD1-CE1 3.62Å; L892-F940 HydrophobicContact CD1-CE2 4.29Å; L892-F940 HydrophobicContact CD1-CZ 3.47Å; L892-F940 VanDerWaalsContact CD1-CZ 3.47Å; K938-F940 VanDerWaalsContact C-N 3.32Å; K938-F940 PolarHBondContact O-N 3.05Å; F940-H948 CarbonylContact C-O 3.56Å; F940-H948 VanDerWaalsContact CA-O 3.22Å; F940-H948 WeakPolarHBondContact CA-O 3.47Å; F940-H948 WeakPolarHBondContact CB-O 3.19Å; F940-F949 HydrophobicContact CB-CD1 4.46Å; F940-F949 HydrophobicContact CB-CE1 4.19Å
941	L	91.2	Very high	88.9	Confident	8 Å²	8	20.8 Å²	20.8	4%	0.042	11%	0.11	C	C	.	.			trans	-95	175.4	178.6	-66.9	167.8	0	0	0	110.4	L632 G943 H948 E951	L632-L941 HydrophobicContact CB-CD2 4.12Å; L941-G943 PolarHBondContact O-N 3.12Å; L941-H948 PolarHBondContact N-O 3.2Å; L941-E951 HydrophobicContact CB-CB 4.35Å; L941-E951 HydrophobicContact CD1-CB 4.25Å; L941-E951 HydrophobicContact CD1-CG 4.01Å
942	Q	83.3	Confident	88.6	Confident	90 Å²	90	21 Å²	21	42%	0.421	11%	0.111	S	C	.	.	S	Bend	trans	-53.7	127.9	-173.8	-167.3	-175.2	14.3	0	0	112.3
943	G	79.7	Confident	88.1	Confident	23 Å²	23	23 Å²	23	24%	0.237	12%	0.123	C	C	.	.	S	Bend	trans	-177.3	174.9	178.1	0	0	0	0	0	112.2	P629 L941 C945	P629-G943 WeakPolarHBondContact CG-O 3.31Å; L941-G943 PolarHBondContact O-N 3.12Å; G943-C945 PolarHBondContact O-N 2.99Å
944	N	78.5	Confident	87.3	Confident	115 Å²	115	28.3 Å²	28.3	62%	0.615	15%	0.146	S	C	*	.	S	Bend	trans	-79.4	-2.3	177.9	-65.9	3	0	0	0	112.8
945	C	81.3	Confident	86.2	Confident	10 Å²	10	29.1 Å²	29.1	7%	0.068	15%	0.151	C	C	.	.	S	Bend	trans	-139.4	161.7	178.6	63.2	0	0	0	0	109.1	F890 V897 G943 C947 H948	F890-C945 HydrophobicContact CD1-CB 4.47Å; F890-C945 HydrophobicContact CE1-CB 4.16Å; V897-C945 HydrophobicContact CG1-CB 4.37Å; G943-C945 PolarHBondContact O-N 2.99Å; C945-C947 HydrophobicContact CB-CB 4.05Å; C945-C947 WeakPolarHBondContact CB-SG 3.03Å; C945-C947 PolarHBondContact O-N 2.94Å; C945-C947 VanDerWaalsContact O-N 3.08Å; C945-C947 WeakPolarHBondContact SG-CB 3.32Å; C945-C947 PolarHBondContact SG-N 3.31Å; C945-C947 VanDerWaalsContact SG-N 3.35Å; C945-C947 CovalentContact SG-SG 2.05Å; C945-C947 PolarHBondContact SG-SG 3.19Å; C945-H948 PolarHBondContact SG-CD2 3.01Å
946	G	84.3	Confident	84.4	Confident	1 Å²	1	38 Å²	38	1%	0.01	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	35.1	166.2	0	0	0	0	0	114.2
947	C	86.7	Confident	82.1	Confident	6 Å²	6	41.6 Å²	41.6	4%	0.041	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.5	-6.3	-169.1	70.9	0	0	0	0	115	V856 F890 C945	V856-C947 HydrophobicContact CG1-CB 4.4Å; F890-C947 HydrophobicContact CD2-CB 4.16Å; F890-C947 HydrophobicContact CE2-CB 3.89Å; F890-C947 HydrophobicContact CZ-CB 4.28Å; F890-C947 VanDerWaalsContact CZ-SG 3.55Å; C945-C947 HydrophobicContact CB-CB 4.05Å; C945-C947 WeakPolarHBondContact CB-SG 3.03Å; C945-C947 PolarHBondContact O-N 2.94Å; C945-C947 VanDerWaalsContact O-N 3.08Å; C945-C947 WeakPolarHBondContact SG-CB 3.32Å; C945-C947 PolarHBondContact SG-N 3.31Å; C945-C947 VanDerWaalsContact SG-N 3.35Å; C945-C947 CovalentContact SG-SG 2.05Å; C945-C947 PolarHBondContact SG-SG 3.19Å
948	H	89.2	Confident	79.6	Confident	34 Å²	34	44.2 Å²	44.2	16%	0.157	23%	0.229	C	C	.	.			trans	-98.2	116	-178.1	-73.2	-96.9	0	0	0	111.9	S772 F940 L941 C945 H950	S772-H948 PolarHBondContact OG-CE1 3.49Å; S772-H948 PolarHBondContact OG-NE2 3Å; F940-H948 CarbonylContact C-O 3.56Å; F940-H948 VanDerWaalsContact CA-O 3.22Å; F940-H948 WeakPolarHBondContact CA-O 3.47Å; F940-H948 WeakPolarHBondContact CB-O 3.19Å; L941-H948 PolarHBondContact N-O 3.2Å; C945-H948 PolarHBondContact SG-CD2 3.01Å; H948-H950 AromaticContact ND1-CE1 3.78Å
949	F	91.8	Very high	76.9	Confident	17 Å²	17	53 Å²	53	8%	0.075	26%	0.261	C	S	.	.	S	Bend	trans	-101.5	19.8	171.2	-64.1	-76.6	0	0	0	113.3	I888 T933 R936 F940 I1003 N1004	I888-F949 HydrophobicContact CG2-CE2 3.98Å; I888-F949 HydrophobicContact CG2-CZ 3.7Å; I888-F949 WeakPolarHBondContact O-CE2 3.1Å; T933-F949 HydrophobicContact CG2-CD2 3.71Å; T933-F949 HydrophobicContact CG2-CE2 3.69Å; T933-F949 HydrophobicContact CG2-CG 4.41Å; T933-F949 HydrophobicContact CG2-CZ 4.37Å; R936-F949 WeakPolarHBondContact O-CE1 3.3Å; F940-F949 HydrophobicContact CB-CD1 4.46Å; F940-F949 HydrophobicContact CB-CE1 4.19Å; F949-I1003 HydrophobicContact CB-CB 3.93Å; F949-I1003 HydrophobicContact CB-CG2 3.84Å; F949-I1003 HydrophobicContact CD1-CB 4.24Å; F949-I1003 HydrophobicContact CD1-CD1 3.46Å; F949-I1003 VanDerWaalsContact CD1-CD1 3.46Å; F949-I1003 HydrophobicContact CD1-CG1 4.47Å; F949-I1003 HydrophobicContact CD1-CG2 4.15Å; F949-I1003 HydrophobicContact CD2-CG2 4.43Å; F949-I1003 HydrophobicContact CE1-CD1 3.88Å; F949-I1003 HydrophobicContact CG-CB 4.24Å; F949-I1003 HydrophobicContact CG-CD1 4.28Å; F949-I1003 HydrophobicContact CG-CG2 3.88Å; F949-N1004 VanDerWaalsContact O-CB 3.26Å; F949-N1004 WeakPolarHBondContact O-CB 3.07Å
950	H	91	Very high	74	Confident	13 Å²	13	59.6 Å²	59.6	6%	0.06	29%	0.291	C	S	.	.			trans	-141.8	155.9	172.7	75.9	-78.9	0	0	0	110.7	S772 G776 H948 V999 R1000 N1004	S772-H950 PolarHBondContact O-CE1 2.72Å; G776-H950 WeakPolarHBondContact CA-NE2 3.47Å; H948-H950 AromaticContact ND1-CE1 3.78Å; H950-V999 HydrophobicContact CB-CG1 4.36Å; H950-R1000 CarbonylContact C-O 3.57Å; H950-R1000 WeakPolarHBondContact CA-O 3.23Å; H950-N1004 HydrophobicContact CB-CB 3.66Å
951	E	87.4	Confident	71.1	Confident	28 Å²	28	64.1 Å²	64.1	13%	0.131	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	154.9	166.9	67.5	-178.1	-176.9	0	0	109.5	L941 V953 V999 R1000	L941-E951 HydrophobicContact CB-CB 4.35Å; L941-E951 HydrophobicContact CD1-CB 4.25Å; L941-E951 HydrophobicContact CD1-CG 4.01Å; E951-V953 HydrophobicContact CG-CG1 3.95Å; E951-V999 WeakPolarHBondContact O-CA 3.33Å; E951-R1000 HydrophobicContact CG-CB 3.76Å; E951-R1000 HydrophobicContact CG-CG 4.2Å; E951-R1000 PolarHBondContact N-O 3.38Å; E951-R1000 PolarHBondContact O-N 3.05Å; E951-R1000 WeakPolarHBondContact OE1-CD 3.1Å; E951-R1000 IonicContact OE1-CZ 3.11Å; E951-R1000 IonicContact OE1-NE 3.77Å; E951-R1000 IonicContact OE1-NH1 2.74Å; E951-R1000 PolarHBondContact OE1-NH1 3.26Å
952	V	84.9	Confident	68.1	Low	26 Å²	26	72.8 Å²	72.8	16%	0.158	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	116	173	-175.1	0	0	0	0	108.4	Y779 L789 W792 Y997 H998 V999	Y779-V952 HydrophobicContact CD2-CG2 4.29Å; L789-V952 HydrophobicContact CD2-CG1 3.84Å; W792-V952 HydrophobicContact CB-CG1 4.12Å; W792-V952 VanDerWaalsContact CD1-CG1 3.49Å; W792-V952 HydrophobicContact CD2-CB 4.49Å; W792-V952 HydrophobicContact CD2-CG1 4.49Å; W792-V952 HydrophobicContact CG-CB 4.11Å; W792-V952 HydrophobicContact CG-CG1 3.77Å; V952-Y997 HydrophobicContact CG1-CD1 4.24Å; V952-Y997 HydrophobicContact CG1-CG 4.43Å; V952-H998 WeakPolarHBondContact CA-O 3.44Å; V952-V999 HydrophobicContact CG2-CG2 4.19Å
953	V	81.8	Confident	65.6	Low	42 Å²	42	73.5 Å²	73.5	26%	0.255	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	153.3	-174.5	-65.5	0	0	0	0	111.3	E951 Y997 H998	E951-V953 HydrophobicContact CG-CG1 3.95Å; V953-Y997 CarbonylContact O-C 3.57Å; V953-Y997 VanDerWaalsContact O-CA 3.25Å; V953-Y997 WeakPolarHBondContact O-CA 3.46Å; V953-H998 HydrophobicContact CG2-CB 4.2Å; V953-H998 PolarHBondContact N-O 3.41Å; V953-H998 PolarHBondContact O-N 3.3Å
954	K	77.5	Confident	63.2	Low	118 Å²	118	79.3 Å²	79.3	51%	0.513	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	124	172.3	-70.7	-179.3	178	-178.7	0	109.9	K956 L957 P996 Y997	K954-K956 VanDerWaalsContact C-N 3.29Å; K954-K956 PolarHBondContact O-N 2.9Å; K954-L957 HydrophobicContact CB-CB 4.44Å; K954-L957 HydrophobicContact CB-CD1 4.14Å; K954-L957 HydrophobicContact CD-CD1 3.75Å; K954-L957 PolarHBondContact O-N 3.42Å; K954-P996 WeakPolarHBondContact CA-O 3.32Å; K954-Y997 HydrophobicContact CG-CD1 4.09Å; K954-Y997 HydrophobicContact CG-CE1 3.79Å
955	S	67.3	Low	60.8	Low	17 Å²	17	83 Å²	83	12%	0.119	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-27.9	-172.7	-45.2	0	0	0	0	114	S995 P996	S955-S995 WeakPolarHBondContact CB-O 3.05Å; S955-S995 PolarHBondContact OG-O 2.9Å; S955-P996 PolarHBondContact N-O 3.46Å
956	K	54.1	Low	58.4	Low	186 Å²	186	88.8 Å²	88.8	81%	0.809	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-29.7	178.7	-70.8	-173.9	179.2	-179.3	0	114.2	K954	K954-K956 VanDerWaalsContact C-N 3.29Å; K954-K956 PolarHBondContact O-N 2.9Å
957	L	44.3	Very low	55.6	Low	87 Å²	87	98.6 Å²	98.6	46%	0.455	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	-86.2	-8.9	-177.7	-88.4	144	0	0	0	113.4	K954 R959 E960	K954-L957 HydrophobicContact CB-CB 4.44Å; K954-L957 HydrophobicContact CB-CD1 4.14Å; K954-L957 HydrophobicContact CD-CD1 3.75Å; K954-L957 PolarHBondContact O-N 3.42Å; L957-R959 PolarHBondContact O-N 2.64Å; L957-R959 VanDerWaalsContact O-N 3.12Å; L957-E960 PolarHBondContact O-N 3.42Å
958	S	39.1	Very low	53.4	Low	61 Å²	61	104.9 Å²	104.9	43%	0.427	49%	0.49	S	S	.	.	G	3₁₀ helix	trans	-69.2	-6.8	179.5	117.4	0	0	0	0	113.6
959	R	36.9	Very low	50.8	Low	216 Å²	216	106.7 Å²	106.7	82%	0.815	51%	0.507	S	S	*	.	G	3₁₀ helix	trans	-82.4	-22	177.5	-76.4	-173.1	176.7	-170.7	-0.3	114.1	L957	L957-R959 PolarHBondContact O-N 2.64Å; L957-R959 VanDerWaalsContact O-N 3.12Å
960	E	30.2	Very low	48.2	Very low	152 Å²	152	115.6 Å²	115.6	71%	0.71	55%	0.546	S	S	*	.	S	Bend	trans	-87.8	-14.2	-174.6	-76.7	178.2	167.2	0	0	114.1	L957 H962	L957-E960 PolarHBondContact O-N 3.42Å; E960-H962 PolarHBondContact O-N 2.73Å
961	H	32.4	Very low	45.7	Very low	97 Å²	97	120.7 Å²	120.7	45%	0.449	57%	0.573	S	S	.	*	S	Bend	trans	-82.2	115.9	170.3	-64.4	76.4	0	0	0	107.3	V963	H961-V963 PolarHBondContact O-N 3.39Å
962	H	28.1	Very low	43.7	Very low	190 Å²	190	122.7 Å²	122.7	88%	0.88	58%	0.582	S	S	*	*			trans	-61.3	65.9	170.5	-79.2	-76.4	0	0	0	110.8	E960 I964	E960-H962 PolarHBondContact O-N 2.73Å; H962-I964 PolarHBondContact O-N 2.99Å; H962-I964 VanDerWaalsContact O-N 3.1Å
963	V	32.1	Very low	41.8	Very low	104 Å²	104	124.1 Å²	124.1	63%	0.63	59%	0.588	S	S	*	*			trans	-69.2	107.7	159.6	-178.5	0	0	0	0	104.2	H961 K965	H961-V963 PolarHBondContact O-N 3.39Å; V963-K965 PolarHBondContact O-N 2.74Å
964	I	28.3	Very low	40	Very low	146 Å²	146	122.8 Å²	122.8	75%	0.749	58%	0.58	S	S	*	*			trans	-51.7	95.5	167.4	-61.9	171.1	0	0	0	106.4	H962 M966	H962-I964 PolarHBondContact O-N 2.99Å; H962-I964 VanDerWaalsContact O-N 3.1Å; I964-M966 HydrophobicContact CG2-CG 4.16Å; I964-M966 PolarHBondContact O-N 2.84Å
965	K	28.5	Very low	38.7	Very low	191 Å²	191	117.8 Å²	117.8	83%	0.83	56%	0.562	S	S	*	*			trans	-72.9	80.6	170.6	-88.2	-174.7	175.7	177.3	0	106.6	V963 K967	V963-K965 PolarHBondContact O-N 2.74Å; K965-K967 PolarHBondContact O-N 3.24Å
966	M	29.8	Very low	37.8	Very low	132 Å²	132	125 Å²	125	65%	0.65	59%	0.592	S	S	*	*			trans	-57.1	112.3	158.4	-86.6	-171.1	163.5	0	0	107.1	I964 R968	I964-M966 HydrophobicContact CG2-CG 4.16Å; I964-M966 PolarHBondContact O-N 2.84Å; M966-R968 PolarHBondContact O-N 3.07Å; M966-R968 VanDerWaalsContact O-N 3.09Å
967	K	27.3	Very low	37.6	Very low	208 Å²	208	120.8 Å²	120.8	90%	0.904	57%	0.571	S	S	*	*			trans	-59	115.1	174.7	-89.8	-179.2	174.4	175.7	0	108.2	K965 S969	K965-K967 PolarHBondContact O-N 3.24Å; K967-S969 PolarHBondContact O-N 3.45Å
968	R	39.2	Very low	38	Very low	137 Å²	137	116.9 Å²	116.9	52%	0.517	55%	0.551	S	S	.	*			trans	-60.9	130	170.1	-77.5	177	163.7	172	-11	109.2	R738 E739 M966	R738-R968 PolarHBondContact O-NH2 3.4Å; E739-R968 IonicContact OE1-CZ 3.94Å; E739-R968 IonicContact OE1-NH2 2.92Å; E739-R968 PolarHBondContact OE1-NH2 3.25Å; M966-R968 PolarHBondContact O-N 3.07Å; M966-R968 VanDerWaalsContact O-N 3.09Å
969	S	34.7	Very low	38.5	Very low	73 Å²	73	114.9 Å²	114.9	51%	0.51	54%	0.537	S	S	.	.			trans	-57.5	143.8	172	164.8	0	0	0	0	111.1	K967 N971	K967-S969 PolarHBondContact O-N 3.45Å; S969-N971 VanDerWaalsContact C-N 3.29Å; S969-N971 PolarHBondContact O-N 3.08Å; S969-N971 PolarHBondContact OG-N 3.31Å
970	K	37.6	Very low	38.9	Very low	204 Å²	204	109.1 Å²	109.1	89%	0.887	53%	0.53	S	S	*	.	S	Bend	trans	-73.3	-12.7	-178.4	-78.9	-176.7	174.4	-178.2	0	114.3	H972	K970-H972 PolarHBondContact O-N 2.85Å
971	N	37.7	Very low	39.8	Very low	119 Å²	119	103.4 Å²	103.4	64%	0.636	50%	0.503	S	S	*	.			trans	-99.8	93.5	-175.6	-68.1	-7.4	0	0	0	110	F669 S969 I973	F669-N971 WeakPolarHBondContact CE2-O 3.32Å; S969-N971 VanDerWaalsContact C-N 3.29Å; S969-N971 PolarHBondContact O-N 3.08Å; S969-N971 PolarHBondContact OG-N 3.31Å; N971-I973 PolarHBondContact O-N 3.13Å
972	H	46.3	Very low	40.6	Very low	71 Å²	71	99.4 Å²	99.4	33%	0.329	49%	0.485	S	S	.	.			trans	-98.7	83.2	-167.2	-150.6	63.2	0	0	0	111.3	E739 K970 R986	E739-H972 IonicContact OE1-CE1 2.93Å; E739-H972 IonicContact OE2-CE1 3.6Å; E739-H972 IonicContact OE2-NE2 3.88Å; K970-H972 PolarHBondContact O-N 2.85Å; H972-R986 PolarHBondContact CE1-NH1 3.03Å; H972-R986 PolarHBondContact NE2-NH1 3.14Å
973	I	44.4	Very low	41.6	Very low	55 Å²	55	96 Å²	96	28%	0.282	47%	0.467	S	S	.	.	S	Bend	trans	-72	-38.7	-179.2	-61.9	175	0	0	0	111.4	F669 E671 N971 G975 K976 Y977	F669-I973 HydrophobicContact CE2-CD1 4.5Å; F669-I973 HydrophobicContact CZ-CD1 3.89Å; F669-I973 HydrophobicContact CZ-CG1 4.34Å; E671-I973 HydrophobicContact CG-CD1 4.15Å; N971-I973 PolarHBondContact O-N 3.13Å; I973-G975 VanDerWaalsContact C-N 3.32Å; I973-G975 PolarHBondContact O-N 2.92Å; I973-K976 WeakPolarHBondContact O-CB 3.5Å; I973-K976 PolarHBondContact O-N 3.46Å; I973-Y977 HydrophobicContact CG2-CD2 4.42Å; I973-Y977 HydrophobicContact CG2-CE2 3.78Å; I973-Y977 WeakPolarHBondContact O-CD2 3.12Å
974	V	44.5	Very low	42.4	Very low	14 Å²	14	93.6 Å²	93.6	9%	0.085	45%	0.451	C	S	.	.	H	α-helix	trans	-59.7	-38.6	180	176.3	0	0	0	0	112.3	F673 P725 E739 K976 Y977 F978	F673-V974 HydrophobicContact CD1-CG2 4.46Å; F673-V974 HydrophobicContact CE1-CG2 4.34Å; P725-V974 HydrophobicContact CG-CG1 4.25Å; E739-V974 HydrophobicContact CB-CG1 4.26Å; E739-V974 HydrophobicContact CG-CG1 4.48Å; V974-K976 PolarHBondContact O-N 3.18Å; V974-K976 VanDerWaalsContact O-N 3.07Å; V974-Y977 PolarHBondContact O-N 2.9Å; V974-F978 HydrophobicContact CG1-CD2 3.44Å; V974-F978 VanDerWaalsContact CG1-CD2 3.44Å; V974-F978 HydrophobicContact CG1-CE2 3.72Å; V974-F978 WeakPolarHBondContact O-CD2 3.39Å; V974-F978 PolarHBondContact O-N 2.99Å; V974-F978 VanDerWaalsContact O-N 3.12Å
975	G	49.4	Very low	43.5	Very low	13 Å²	13	88.2 Å²	88.2	13%	0.134	42%	0.423	C	S	.	.	H	α-helix	trans	-70	0.9	176.1	0	0	0	0	0	115.5	I973	I973-G975 VanDerWaalsContact C-N 3.32Å; I973-G975 PolarHBondContact O-N 2.92Å
976	K	49.5	Very low	44.7	Very low	169 Å²	169	81.5 Å²	81.5	74%	0.735	39%	0.392	S	S	*	.	H	α-helix	trans	-88.6	-27.5	168.8	-164.2	-177.2	177.3	-172.3	0	111.8	I973 V974	I973-K976 WeakPolarHBondContact O-CB 3.5Å; I973-K976 PolarHBondContact O-N 3.46Å; V974-K976 PolarHBondContact O-N 3.18Å; V974-K976 VanDerWaalsContact O-N 3.07Å
977	Y	50.2	Low	45.7	Very low	98 Å²	98	81.9 Å²	81.9	38%	0.384	39%	0.392	S	S	.	.	H	α-helix	trans	-97	-35.5	-176.7	-65	-81.1	0	0	0	112.8	F673 I702 I973 V974	F673-Y977 AromaticContact CE1-CD2 3.84Å; F673-Y977 HydrophobicContact CE1-CD2 3.84Å; F673-Y977 HydrophobicContact CE1-CE2 4.13Å; F673-Y977 HydrophobicContact CE1-CG 4.47Å; F673-Y977 AromaticContact CZ-CD2 3.77Å; F673-Y977 HydrophobicContact CZ-CD2 3.77Å; F673-Y977 HydrophobicContact CZ-CE2 4.4Å; F673-Y977 AromaticContact CZ-CG 3.96Å; F673-Y977 HydrophobicContact CZ-CG 3.96Å; I702-Y977 HydrophobicContact CG2-CD1 4.33Å; I973-Y977 HydrophobicContact CG2-CD2 4.42Å; I973-Y977 HydrophobicContact CG2-CE2 3.78Å; I973-Y977 WeakPolarHBondContact O-CD2 3.12Å; V974-Y977 PolarHBondContact O-N 2.9Å
978	F	52.8	Low	46.7	Very low	4 Å²	4	74.5 Å²	74.5	2%	0.018	36%	0.363	C	S	.	.	S	Bend	trans	-97.9	119.1	173.9	-57.5	-77.2	0	0	0	108.1	F673 A675 I702 I723 T741 V974 N982	F673-F978 AromaticContact CE2-CE2 3.84Å; F673-F978 HydrophobicContact CE2-CE2 3.84Å; F673-F978 HydrophobicContact CE2-CZ 4.06Å; F673-F978 HydrophobicContact CZ-CE2 4.05Å; A675-F978 HydrophobicContact CB-CZ 4.44Å; I702-F978 HydrophobicContact CD1-CE1 4.49Å; I723-F978 HydrophobicContact CB-CE1 4.07Å; I723-F978 HydrophobicContact CG2-CE1 3.44Å; I723-F978 VanDerWaalsContact CG2-CE1 3.44Å; I723-F978 HydrophobicContact CG2-CZ 3.87Å; T741-F978 HydrophobicContact CG2-CD1 3.93Å; T741-F978 HydrophobicContact CG2-CG 4.47Å; V974-F978 HydrophobicContact CG1-CD2 3.44Å; V974-F978 VanDerWaalsContact CG1-CD2 3.44Å; V974-F978 HydrophobicContact CG1-CE2 3.72Å; V974-F978 WeakPolarHBondContact O-CD2 3.39Å; V974-F978 PolarHBondContact O-N 2.99Å; V974-F978 VanDerWaalsContact O-N 3.12Å; F978-N982 VanDerWaalsContact CB-ND2 3.35Å; F978-N982 WeakPolarHBondContact CB-ND2 3.4Å
979	S	49.2	Very low	47.3	Very low	20 Å²	20	70.2 Å²	70.2	14%	0.14	35%	0.353	C	S	.	.			trans	-27.5	146.6	-170.1	58.9	0	0	0	0	116.9	Q748 Q981 N982	Q748-S979 VanDerWaalsContact NE2-CB 3.28Å; Q748-S979 PolarHBondContact NE2-OG 2.89Å; S979-Q981 PolarHBondContact O-N 3.22Å; S979-N982 PolarHBondContact O-N 3.33Å
980	S	44.7	Very low	48.3	Very low	95 Å²	95	71.5 Å²	71.5	66%	0.664	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.5	-21	176.8	55	0	0	0	0	114.7	N982 K983	S980-N982 PolarHBondContact O-N 3.27Å; S980-K983 PolarHBondContact O-N 3.29Å
981	Q	50.1	Low	49.2	Very low	32 Å²	32	64.2 Å²	64.2	15%	0.15	33%	0.332	C	S	.	.	H	α-helix	trans	-66.5	-26.7	174.6	-67	-173.6	-0.8	0	0	114.4	H749 V751 S979 K983 L984 Q985	H749-Q981 PolarHBondContact O-OE1 2.64Å; V751-Q981 HydrophobicContact CB-CB 4.39Å; V751-Q981 HydrophobicContact CB-CG 4.37Å; V751-Q981 HydrophobicContact CG2-CB 4.12Å; V751-Q981 HydrophobicContact CG2-CG 4.41Å; S979-Q981 PolarHBondContact O-N 3.22Å; Q981-K983 PolarHBondContact O-N 3.25Å; Q981-L984 PolarHBondContact O-N 2.89Å; Q981-Q985 PolarHBondContact O-N 3.22Å
982	N	49.3	Very low	50.4	Low	13 Å²	13	60.9 Å²	60.9	7%	0.07	31%	0.314	C	S	.	.	H	α-helix	trans	-61.6	-29.8	173.7	-95.1	-13.1	0	0	0	111.8	T741 F978 S979 S980 R986	T741-N982 PolarHBondContact OG1-OD1 3.15Å; F978-N982 VanDerWaalsContact CB-ND2 3.35Å; F978-N982 WeakPolarHBondContact CB-ND2 3.4Å; S979-N982 PolarHBondContact O-N 3.33Å; S980-N982 PolarHBondContact O-N 3.27Å; N982-R986 VanDerWaalsContact O-CB 3.32Å; N982-R986 WeakPolarHBondContact O-CB 3.31Å; N982-R986 VanDerWaalsContact O-CD 3.32Å; N982-R986 WeakPolarHBondContact O-CD 3.36Å; N982-R986 WeakPolarHBondContact O-CG 3.45Å; N982-R986 PolarHBondContact O-N 3.25Å; N982-R986 VanDerWaalsContact O-N 3.12Å
983	K	48.8	Very low	51	Low	118 Å²	118	62.4 Å²	62.4	51%	0.513	33%	0.328	S	S	.	.	H	α-helix	trans	-70.2	-39.5	173.1	-70.8	-178.2	179.9	175.4	0	111.7	S980 Q981 R986 Q987	S980-K983 PolarHBondContact O-N 3.29Å; Q981-K983 PolarHBondContact O-N 3.25Å; K983-R986 PolarHBondContact O-N 3.28Å; K983-Q987 WeakPolarHBondContact O-CG 3.42Å; K983-Q987 PolarHBondContact O-N 2.96Å
984	L	48.8	Very low	51.8	Low	53 Å²	53	67.4 Å²	67.4	28%	0.277	35%	0.35	S	S	.	.	H	α-helix	trans	-68.5	-46.2	176.3	-111.4	82.5	0	0	0	111.9	V751 T753 Q981 R986 Q987 N988	V751-L984 HydrophobicContact CG1-CB 4.22Å; V751-L984 HydrophobicContact CG1-CD2 4.38Å; T753-L984 HydrophobicContact CG2-CD2 3.92Å; Q981-L984 PolarHBondContact O-N 2.89Å; L984-R986 PolarHBondContact O-N 3.35Å; L984-Q987 PolarHBondContact O-N 3.39Å; L984-N988 WeakPolarHBondContact O-CB 3.36Å; L984-N988 PolarHBondContact O-N 3.29Å; L984-N988 PolarHBondContact O-ND2 3.09Å
985	Q	51.8	Low	53.1	Low	34 Å²	34	66.9 Å²	66.9	16%	0.159	35%	0.346	C	S	.	.	H	α-helix	trans	-58.7	-36.7	174.8	-75.9	-179.8	-12.6	0	0	111.6	V751 Q981 S989 Q1005	V751-Q985 HydrophobicContact CG1-CG 4.01Å; V751-Q985 HydrophobicContact CG2-CG 3.8Å; Q981-Q985 PolarHBondContact O-N 3.22Å; Q985-S989 WeakPolarHBondContact O-CB 3.22Å; Q985-S989 PolarHBondContact O-N 3.09Å; Q985-Q1005 PolarHBondContact O-NE2 2.89Å
986	R	52.3	Low	54.4	Low	49 Å²	49	68.4 Å²	68.4	19%	0.185	35%	0.354	C	S	.	.	H	α-helix	trans	-72.7	-37.4	175.6	-75.8	170.8	-159.5	-149.7	-3.7	114.1	E739 H972 N982 K983 L984 N988 S989 V990	E739-R986 IonicContact OE1-CZ 2.82Å; E739-R986 IonicContact OE1-NH1 3.67Å; E739-R986 PolarHBondContact OE1-NH1 3.47Å; E739-R986 IonicContact OE1-NH2 3.15Å; E739-R986 PolarHBondContact OE1-NH2 3.21Å; E739-R986 IonicContact OE2-CZ 3.53Å; E739-R986 IonicContact OE2-NH1 3.83Å; E739-R986 PolarHBondContact OE2-NH1 3.36Å; E739-R986 IonicContact OE2-NH2 2.81Å; E739-R986 PolarHBondContact OE2-NH2 3.47Å; H972-R986 PolarHBondContact CE1-NH1 3.03Å; H972-R986 PolarHBondContact NE2-NH1 3.14Å; N982-R986 VanDerWaalsContact O-CB 3.32Å; N982-R986 WeakPolarHBondContact O-CB 3.31Å; N982-R986 VanDerWaalsContact O-CD 3.32Å; N982-R986 WeakPolarHBondContact O-CD 3.36Å; N982-R986 WeakPolarHBondContact O-CG 3.45Å; N982-R986 PolarHBondContact O-N 3.25Å; N982-R986 VanDerWaalsContact O-N 3.12Å; K983-R986 PolarHBondContact O-N 3.28Å; L984-R986 PolarHBondContact O-N 3.35Å; R986-N988 VanDerWaalsContact C-N 3.29Å; R986-S989 WeakPolarHBondContact CA-OG 3.37Å; R986-S989 PolarHBondContact O-N 2.99Å; R986-S989 PolarHBondContact O-OG 3.09Å; R986-V990 WeakPolarHBondContact O-CG2 2.99Å
987	Q	50.8	Low	55.9	Low	140 Å²	140	63 Å²	63	65%	0.654	33%	0.329	S	S	*	.	H	α-helix	trans	-64.6	-39.7	172.9	-79.3	179.7	-13.5	0	0	110.6	K983 L984 S989 V990	K983-Q987 WeakPolarHBondContact O-CG 3.42Å; K983-Q987 PolarHBondContact O-N 2.96Å; L984-Q987 PolarHBondContact O-N 3.39Å; Q987-S989 VanDerWaalsContact C-N 3.28Å; Q987-S989 PolarHBondContact O-N 3.02Å; Q987-V990 PolarHBondContact O-N 2.95Å
988	N	49.8	Very low	57.6	Low	54 Å²	54	59.3 Å²	59.3	29%	0.289	32%	0.316	S	S	.	.	H	α-helix	trans	-74.2	-14.6	178.2	-64.8	-23.6	0	0	0	113.7	L984 R986	L984-N988 WeakPolarHBondContact O-CB 3.36Å; L984-N988 PolarHBondContact O-N 3.29Å; L984-N988 PolarHBondContact O-ND2 3.09Å; R986-N988 VanDerWaalsContact C-N 3.29Å
989	S	50	Low	59.2	Low	46 Å²	46	59.4 Å²	59.4	32%	0.322	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-3.1	176.4	71.3	0	0	0	0	114	Q985 R986 Q987	Q985-S989 WeakPolarHBondContact O-CB 3.22Å; Q985-S989 PolarHBondContact O-N 3.09Å; R986-S989 WeakPolarHBondContact CA-OG 3.37Å; R986-S989 PolarHBondContact O-N 2.99Å; R986-S989 PolarHBondContact O-OG 3.09Å; Q987-S989 VanDerWaalsContact C-N 3.28Å; Q987-S989 PolarHBondContact O-N 3.02Å
990	V	56	Low	60.9	Low	101 Å²	101	63.2 Å²	63.2	61%	0.612	33%	0.328	S	S	*	.	S	Bend	trans	-79.6	123.6	177.5	-179	0	0	0	0	108.8	R986 Q987 N992	R986-V990 WeakPolarHBondContact O-CG2 2.99Å; Q987-V990 PolarHBondContact O-N 2.95Å; V990-N992 PolarHBondContact O-N 3.2Å
991	P	57.9	Low	62.9	Low	51 Å²	51	59.1 Å²	59.1	33%	0.331	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-61	124.8	179.5	21.5	-30.7	0	0	0	110.5	V993 H998	P991-V993 PolarHBondContact O-N 3.35Å; P991-H998 HydrophobicContact CB-CB 4.36Å
992	N	62.5	Low	64.7	Low	49 Å²	49	60.9 Å²	60.9	26%	0.262	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-67.7	119.8	172.7	-176.8	-8.1	0	0	0	109	E787 V990 H994 S995	E787-N992 PolarHBondContact O-ND2 3.01Å; V990-N992 PolarHBondContact O-N 3.2Å; N992-H994 PolarHBondContact O-N 3.4Å; N992-H994 PolarHBondContact OD1-N 2.94Å; N992-S995 PolarHBondContact O-N 3.42Å
993	V	58.2	Low	66.7	Low	102 Å²	102	60.4 Å²	60.4	62%	0.618	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-24.3	-177.7	-177.8	0	0	0	0	112.1	P991	P991-V993 PolarHBondContact O-N 3.35Å
994	H	62.3	Low	68.8	Low	161 Å²	161	55.3 Å²	55.3	75%	0.745	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-12.1	179.2	-59.9	-69.9	0	0	0	114.3	N992	N992-H994 PolarHBondContact O-N 3.4Å; N992-H994 PolarHBondContact OD1-N 2.94Å
995	S	71.4	Confident	70.9	Confident	2 Å²	2	54.2 Å²	54.2	1%	0.014	28%	0.284	C	S	.	.			trans	-76.4	136.3	175.9	-172.6	0	0	0	0	110.3	T788 L789 S955 N992 Y997	T788-S995 VanDerWaalsContact CA-OG 3.28Å; T788-S995 WeakPolarHBondContact CA-OG 3.48Å; L789-S995 PolarHBondContact N-OG 3.01Å; S955-S995 WeakPolarHBondContact CB-O 3.05Å; S955-S995 PolarHBondContact OG-O 2.9Å; N992-S995 PolarHBondContact O-N 3.42Å; S995-Y997 WeakPolarHBondContact CB-O 3.12Å; S995-Y997 PolarHBondContact OG-O 3.27Å
996	P	76.9	Confident	72.8	Confident	46 Å²	46	53.3 Å²	53.3	30%	0.299	28%	0.281	S	S	.	.	S	Bend	trans	-72.7	-29.5	176	23.4	-25.1	0	0	0	112.7	L789 K954 S955	L789-P996 WeakPolarHBondContact O-CD 3.35Å; L789-P996 VanDerWaalsContact O-CG 3.27Å; L789-P996 WeakPolarHBondContact O-CG 3.27Å; K954-P996 WeakPolarHBondContact CA-O 3.32Å; S955-P996 PolarHBondContact N-O 3.46Å
997	Y	81.1	Confident	74.8	Confident	54 Å²	54	51.3 Å²	51.3	21%	0.212	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	157.3	177.7	-59.9	-84.8	0	0	0	112.4	L789 W792 V952 V953 K954 S995	L789-Y997 WeakPolarHBondContact O-CD2 3.39Å; L789-Y997 PolarHBondContact O-N 3.35Å; W792-Y997 HydrophobicContact CB-CD1 4.05Å; W792-Y997 HydrophobicContact CB-CD2 4.26Å; W792-Y997 HydrophobicContact CB-CE1 4.14Å; W792-Y997 HydrophobicContact CB-CE2 4.38Å; W792-Y997 HydrophobicContact CB-CG 4.11Å; V952-Y997 HydrophobicContact CG1-CD1 4.24Å; V952-Y997 HydrophobicContact CG1-CG 4.43Å; V953-Y997 CarbonylContact O-C 3.57Å; V953-Y997 VanDerWaalsContact O-CA 3.25Å; V953-Y997 WeakPolarHBondContact O-CA 3.46Å; K954-Y997 HydrophobicContact CG-CD1 4.09Å; K954-Y997 HydrophobicContact CG-CE1 3.79Å; S995-Y997 WeakPolarHBondContact CB-O 3.12Å; S995-Y997 PolarHBondContact OG-O 3.27Å
998	H	85.3	Confident	77	Confident	21 Å²	21	44.7 Å²	44.7	10%	0.097	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	135.7	176.3	174.6	58.7	0	0	0	110.8	E783 V952 V953 P991	E783-H998 WeakPolarHBondContact OE1-CA 3.29Å; E783-H998 IonicContact OE1-CE1 2.78Å; E783-H998 IonicContact OE1-CG 3.79Å; E783-H998 IonicContact OE1-ND1 3.97Å; E783-H998 PolarHBondContact OE1-ND1 3.27Å; E783-H998 IonicContact OE2-ND1 2.99Å; V952-H998 WeakPolarHBondContact CA-O 3.44Å; V953-H998 HydrophobicContact CG2-CB 4.2Å; V953-H998 PolarHBondContact N-O 3.41Å; V953-H998 PolarHBondContact O-N 3.3Å; P991-H998 HydrophobicContact CB-CB 4.36Å
999	V	86.1	Confident	79	Confident	7 Å²	7	42.3 Å²	42.3	4%	0.042	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	110.1	174.2	-173.2	0	0	0	0	109.7	Y780 E783 L789 H950 E951 V952	Y780-V999 HydrophobicContact CD2-CG1 4.49Å; E783-V999 WeakPolarHBondContact OE2-CB 3.38Å; E783-V999 WeakPolarHBondContact OE2-CG2 3.46Å; E783-V999 PolarHBondContact OE2-N 3.29Å; L789-V999 HydrophobicContact CD2-CG2 3.99Å; H950-V999 HydrophobicContact CB-CG1 4.36Å; E951-V999 WeakPolarHBondContact O-CA 3.33Å; V952-V999 HydrophobicContact CG2-CG2 4.19Å
1000	R	84.1	Confident	81.2	Confident	100 Å²	100	40.5 Å²	40.5	38%	0.377	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	144.6	177.1	174.6	166.3	171	-131.9	6.5	110.6	H950 E951	H950-R1000 CarbonylContact C-O 3.57Å; H950-R1000 WeakPolarHBondContact CA-O 3.23Å; E951-R1000 HydrophobicContact CG-CB 3.76Å; E951-R1000 HydrophobicContact CG-CG 4.2Å; E951-R1000 PolarHBondContact N-O 3.38Å; E951-R1000 PolarHBondContact O-N 3.05Å; E951-R1000 WeakPolarHBondContact OE1-CD 3.1Å; E951-R1000 IonicContact OE1-CZ 3.11Å; E951-R1000 IonicContact OE1-NE 3.77Å; E951-R1000 IonicContact OE1-NH1 2.74Å; E951-R1000 PolarHBondContact OE1-NH1 3.26Å
1001	G	87.6	Confident	83.1	Confident	9 Å²	9	35.7 Å²	35.7	9%	0.093	19%	0.188	C	C	.	.			trans	141.7	106.5	173.7	0	0	0	0	0	113	I1003 N1004 Q1005	G1001-I1003 VanDerWaalsContact C-N 3.33Å; G1001-I1003 PolarHBondContact O-N 3.48Å; G1001-N1004 PolarHBondContact O-N 2.88Å; G1001-Q1005 WeakPolarHBondContact O-CB 3.23Å; G1001-Q1005 PolarHBondContact O-N 3.18Å
1002	P	87.6	Confident	84.8	Confident	69 Å²	69	33.3 Å²	33.3	45%	0.448	17%	0.173	S	C	.	.	H	α-helix	trans	-66	-33	-173.1	25	-33.7	0	0	0	113.3	Q1005 V1006	P1002-Q1005 WeakPolarHBondContact O-CB 3.45Å; P1002-Q1005 PolarHBondContact O-N 3.44Å; P1002-V1006 PolarHBondContact O-N 3.26Å
1003	I	91.9	Very high	86.3	Confident	3 Å²	3	31.2 Å²	31.2	2%	0.015	16%	0.162	C	C	.	.	H	α-helix	trans	-71.7	-44.6	178.3	-67.4	160.8	0	0	0	110.5	W722 I932 T933 R936 E939 F949 G1001 Q1005 V1006 C1007	W722-I1003 HydrophobicContact CH2-CG1 4.33Å; W722-I1003 HydrophobicContact CZ2-CG1 4.21Å; I932-I1003 HydrophobicContact CG2-CG2 4.27Å; T933-I1003 HydrophobicContact CG2-CG2 3.7Å; R936-I1003 HydrophobicContact CB-CD1 3.55Å; R936-I1003 HydrophobicContact CB-CG1 4.35Å; R936-I1003 HydrophobicContact CG-CD1 4.46Å; E939-I1003 HydrophobicContact CB-CD1 3.93Å; F949-I1003 HydrophobicContact CB-CB 3.93Å; F949-I1003 HydrophobicContact CB-CG2 3.84Å; F949-I1003 HydrophobicContact CD1-CB 4.24Å; F949-I1003 HydrophobicContact CD1-CD1 3.46Å; F949-I1003 VanDerWaalsContact CD1-CD1 3.46Å; F949-I1003 HydrophobicContact CD1-CG1 4.47Å; F949-I1003 HydrophobicContact CD1-CG2 4.15Å; F949-I1003 HydrophobicContact CD2-CG2 4.43Å; F949-I1003 HydrophobicContact CE1-CD1 3.88Å; F949-I1003 HydrophobicContact CG-CB 4.24Å; F949-I1003 HydrophobicContact CG-CD1 4.28Å; F949-I1003 HydrophobicContact CG-CG2 3.88Å; G1001-I1003 VanDerWaalsContact C-N 3.33Å; G1001-I1003 PolarHBondContact O-N 3.48Å; I1003-Q1005 VanDerWaalsContact C-N 3.28Å; I1003-Q1005 PolarHBondContact O-N 3.47Å; I1003-V1006 PolarHBondContact O-N 3.43Å; I1003-C1007 PolarHBondContact O-N 2.93Å; I1003-C1007 VanDerWaalsContact O-N 3.14Å; I1003-C1007 PolarHBondContact O-SG 3.33Å; I1003-C1007 VanDerWaalsContact O-SG 3.36Å
1004	N	92.8	Very high	87.9	Confident	11 Å²	11	26.9 Å²	26.9	6%	0.059	14%	0.135	C	C	.	.	H	α-helix	trans	-63.2	-35.5	174	-179.9	81.4	0	0	0	112.2	F949 H950 G1001 C1007 S1008	F949-N1004 VanDerWaalsContact O-CB 3.26Å; F949-N1004 WeakPolarHBondContact O-CB 3.07Å; H950-N1004 HydrophobicContact CB-CB 3.66Å; G1001-N1004 PolarHBondContact O-N 2.88Å; N1004-C1007 PolarHBondContact O-N 2.77Å; N1004-S1008 PolarHBondContact ND2-OG 2.97Å; N1004-S1008 VanDerWaalsContact O-CB 3.26Å; N1004-S1008 WeakPolarHBondContact O-CB 3.49Å; N1004-S1008 PolarHBondContact O-N 3.48Å; N1004-S1008 PolarHBondContact O-OG 3.24Å
1005	Q	91.6	Very high	89.4	Confident	29 Å²	29	19.3 Å²	19.3	14%	0.136	10%	0.099	C	C	.	.	H	α-helix	trans	-57.8	-48.5	173.9	175	171.9	21.1	0	0	111.1	Y780 Q985 G1001 P1002 I1003 S1008 E1009	Y780-Q1005 HydrophobicContact CE2-CB 4.14Å; Y780-Q1005 HydrophobicContact CE2-CG 3.99Å; Y780-Q1005 WeakPolarHBondContact OH-CG 3.11Å; Y780-Q1005 PolarHBondContact OH-NE2 3.35Å; Q985-Q1005 PolarHBondContact O-NE2 2.89Å; G1001-Q1005 WeakPolarHBondContact O-CB 3.23Å; G1001-Q1005 PolarHBondContact O-N 3.18Å; P1002-Q1005 WeakPolarHBondContact O-CB 3.45Å; P1002-Q1005 PolarHBondContact O-N 3.44Å; I1003-Q1005 VanDerWaalsContact C-N 3.28Å; I1003-Q1005 PolarHBondContact O-N 3.47Å; Q1005-S1008 PolarHBondContact O-N 2.77Å; Q1005-E1009 HydrophobicContact CG-CG 4.38Å; Q1005-E1009 WeakPolarHBondContact O-CG 3.44Å; Q1005-E1009 PolarHBondContact O-N 3.33Å
1006	V	92.8	Very high	90.4	Very high	16 Å²	16	20.4 Å²	20.4	10%	0.097	11%	0.107	C	C	.	.	H	α-helix	trans	-57.8	-52.5	176.2	170.4	0	0	0	0	111.1	W722 W742 I932 P1002 I1003 S1008 E1009 I1010	W722-V1006 HydrophobicContact CH2-CB 4.41Å; W722-V1006 HydrophobicContact CH2-CG2 3.89Å; W722-V1006 HydrophobicContact CZ3-CG2 4.27Å; W742-V1006 HydrophobicContact CB-CG1 3.61Å; W742-V1006 HydrophobicContact CB-CG2 4.19Å; W742-V1006 HydrophobicContact CG-CG1 3.83Å; I932-V1006 HydrophobicContact CD1-CG1 4.31Å; I932-V1006 HydrophobicContact CG2-CG1 4.2Å; P1002-V1006 PolarHBondContact O-N 3.26Å; I1003-V1006 PolarHBondContact O-N 3.43Å; V1006-S1008 PolarHBondContact O-N 3.26Å; V1006-E1009 PolarHBondContact O-N 3.32Å; V1006-I1010 HydrophobicContact CG1-CD1 4.03Å; V1006-I1010 WeakPolarHBondContact O-CG1 3.31Å; V1006-I1010 PolarHBondContact O-N 2.76Å
1007	C	94.9	Very high	90.8	Very high	6 Å²	6	20.6 Å²	20.6	4%	0.041	11%	0.112	C	C	.	.	H	α-helix	trans	-57.2	-40.4	178.8	-61	0	0	0	0	111.8	M777 V927 T929 I1003 N1004 L1011	M777-C1007 HydrophobicContact CE-CB 3.98Å; M777-C1007 VanDerWaalsContact CE-O 3.25Å; M777-C1007 WeakPolarHBondContact CE-O 3.39Å; V927-C1007 HydrophobicContact CG1-CB 4.45Å; T929-C1007 HydrophobicContact CG2-CB 3.98Å; I1003-C1007 PolarHBondContact O-N 2.93Å; I1003-C1007 VanDerWaalsContact O-N 3.14Å; I1003-C1007 PolarHBondContact O-SG 3.33Å; I1003-C1007 VanDerWaalsContact O-SG 3.36Å; N1004-C1007 PolarHBondContact O-N 2.77Å; C1007-L1011 PolarHBondContact O-N 3.45Å
1008	S	95.4	Very high	89.6	Confident	1 Å²	1	23.7 Å²	23.7	1%	0.007	14%	0.142	C	C	.	.	H	α-helix	trans	-71.5	-42.4	-178.6	-56.3	0	0	0	0	111.6	N1004 Q1005 V1006 I1010 L1011 L1012	N1004-S1008 PolarHBondContact ND2-OG 2.97Å; N1004-S1008 VanDerWaalsContact O-CB 3.26Å; N1004-S1008 WeakPolarHBondContact O-CB 3.49Å; N1004-S1008 PolarHBondContact O-N 3.48Å; N1004-S1008 PolarHBondContact O-OG 3.24Å; Q1005-S1008 PolarHBondContact O-N 2.77Å; V1006-S1008 PolarHBondContact O-N 3.26Å; S1008-I1010 VanDerWaalsContact C-N 3.3Å; S1008-I1010 PolarHBondContact O-N 3.34Å; S1008-L1011 WeakPolarHBondContact O-CA 3.07Å; S1008-L1011 VanDerWaalsContact O-CB 3.31Å; S1008-L1011 WeakPolarHBondContact O-CB 3.37Å; S1008-L1011 PolarHBondContact O-N 3Å; S1008-L1011 VanDerWaalsContact O-N 3.12Å; S1008-L1012 VanDerWaalsContact O-CG 3.29Å; S1008-L1012 WeakPolarHBondContact O-CG 2.89Å; S1008-L1012 PolarHBondContact O-N 2.98Å
1009	E	93.4	Very high	87.7	Confident	5 Å²	5	30.1 Å²	30.1	2%	0.023	17%	0.172	C	C	.	.	H	α-helix	trans	-64.5	-34.7	176.1	-68.7	-64.2	158.5	0	0	111.8	Y780 R784 Q1005 V1006 L1012 S1013	Y780-E1009 HydrophobicContact CE1-CG 4.31Å; Y780-E1009 VanDerWaalsContact CE1-OE1 3.28Å; Y780-E1009 WeakPolarHBondContact CE1-OE1 3.48Å; Y780-E1009 PolarHBondContact OH-OE1 2.84Å; R784-E1009 IonicContact CZ-OE1 3.63Å; R784-E1009 IonicContact NE-OE1 2.89Å; R784-E1009 PolarHBondContact NE-OE1 3.12Å; R784-E1009 IonicContact NH2-OE1 3.45Å; R784-E1009 PolarHBondContact NH2-OE1 2.93Å; R784-E1009 IonicContact NH2-OE2 3.38Å; R784-E1009 PolarHBondContact NH2-OE2 3.09Å; Q1005-E1009 HydrophobicContact CG-CG 4.38Å; Q1005-E1009 WeakPolarHBondContact O-CG 3.44Å; Q1005-E1009 PolarHBondContact O-N 3.33Å; V1006-E1009 PolarHBondContact O-N 3.32Å; E1009-L1012 PolarHBondContact O-N 1.99Å; E1009-S1013 WeakPolarHBondContact O-CB 3.44Å; E1009-S1013 PolarHBondContact O-N 3.2Å
1010	I	94.9	Very high	85.5	Confident	7 Å²	7	37.6 Å²	37.6	4%	0.036	20%	0.199	C	C	.	.	H	α-helix	trans	-62.6	-47	170.3	-63.5	170.1	0	0	0	110.1	H749 V927 I932 V1006 S1008 L1012 S1013 R1014	H749-I1010 HydrophobicContact CB-CG1 4.42Å; V927-I1010 HydrophobicContact CG1-CB 4.27Å; V927-I1010 HydrophobicContact CG1-CG2 4.09Å; V927-I1010 HydrophobicContact CG2-CG2 4.22Å; I932-I1010 HydrophobicContact CD1-CD1 3.61Å; V1006-I1010 HydrophobicContact CG1-CD1 4.03Å; V1006-I1010 WeakPolarHBondContact O-CG1 3.31Å; V1006-I1010 PolarHBondContact O-N 2.76Å; S1008-I1010 VanDerWaalsContact C-N 3.3Å; S1008-I1010 PolarHBondContact O-N 3.34Å; I1010-L1012 PolarHBondContact O-N 3.29Å; I1010-S1013 WeakPolarHBondContact O-CB 3.48Å; I1010-S1013 PolarHBondContact O-N 3Å; I1010-R1014 HydrophobicContact CG2-CG 4.35Å; I1010-R1014 WeakPolarHBondContact O-CG 2.81Å; I1010-R1014 PolarHBondContact O-N 3.37Å
1011	L	95.6	Very high	82.8	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-54.9	-49.3	175.4	178.7	66.4	0	0	0	111.7	F768 M777 V852 I882 V927 C1007 S1008 S1013 R1014 M1015	F768-L1011 HydrophobicContact CE1-CD2 4.09Å; F768-L1011 HydrophobicContact CZ-CD2 4.26Å; M777-L1011 HydrophobicContact CB-CD2 4.24Å; M777-L1011 HydrophobicContact CE-CB 3.68Å; M777-L1011 HydrophobicContact CE-CD2 3.76Å; M777-L1011 HydrophobicContact CE-CG 4.25Å; V852-L1011 HydrophobicContact CG1-CD1 4.21Å; V852-L1011 HydrophobicContact CG1-CD2 4.47Å; V852-L1011 HydrophobicContact CG2-CD1 4.29Å; I882-L1011 HydrophobicContact CB-CD1 4.19Å; I882-L1011 HydrophobicContact CD1-CD1 3.8Å; I882-L1011 HydrophobicContact CG2-CD1 3.7Å; V927-L1011 HydrophobicContact CG2-CB 4.04Å; V927-L1011 HydrophobicContact CG2-CD1 4.03Å; C1007-L1011 PolarHBondContact O-N 3.45Å; S1008-L1011 WeakPolarHBondContact O-CA 3.07Å; S1008-L1011 VanDerWaalsContact O-CB 3.31Å; S1008-L1011 WeakPolarHBondContact O-CB 3.37Å; S1008-L1011 PolarHBondContact O-N 3Å; S1008-L1011 VanDerWaalsContact O-N 3.12Å; L1011-S1013 PolarHBondContact O-N 3.4Å; L1011-R1014 PolarHBondContact O-N 2.81Å; L1011-M1015 HydrophobicContact CD1-CE 3.84Å; L1011-M1015 HydrophobicContact CD1-CG 4.47Å; L1011-M1015 HydrophobicContact CD2-CE 3.88Å; L1011-M1015 HydrophobicContact CG-CE 3.77Å; L1011-M1015 HydrophobicContact CG-SD 4.24Å; L1011-M1015 WeakPolarHBondContact O-CG 3.2Å; L1011-M1015 PolarHBondContact O-N 3.34Å
1012	L	94.8	Very high	80	Confident	1 Å²	1	42 Å²	42	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-62	-43.3	179.1	-62	-174.5	0	0	0	111.6	L757 Y780 L781 R784 S1008 E1009 I1010 R1014 M1015 C1016	L757-L1012 HydrophobicContact CD1-CB 4.24Å; L757-L1012 HydrophobicContact CD1-CD1 4.36Å; L757-L1012 HydrophobicContact CD1-CD2 4.24Å; L757-L1012 HydrophobicContact CD2-CD1 3.93Å; Y780-L1012 HydrophobicContact CE1-CD1 4.3Å; L781-L1012 HydrophobicContact CB-CD2 4.06Å; L781-L1012 HydrophobicContact CD1-CD2 3.32Å; L781-L1012 HydrophobicContact CG-CD2 4.16Å; R784-L1012 HydrophobicContact CB-CD1 4.44Å; R784-L1012 HydrophobicContact CG-CD1 4.35Å; S1008-L1012 VanDerWaalsContact O-CG 3.29Å; S1008-L1012 WeakPolarHBondContact O-CG 2.89Å; S1008-L1012 PolarHBondContact O-N 2.98Å; E1009-L1012 PolarHBondContact O-N 1.99Å; I1010-L1012 PolarHBondContact O-N 3.29Å; L1012-R1014 VanDerWaalsContact C-N 3.27Å; L1012-R1014 PolarHBondContact O-N 3.38Å; L1012-M1015 HydrophobicContact CD2-SD 4.37Å; L1012-M1015 PolarHBondContact O-N 3.34Å; L1012-C1016 WeakPolarHBondContact O-CB 3.45Å; L1012-C1016 PolarHBondContact O-N 2.91Å
1013	S	93.1	Very high	77.1	Confident	4 Å²	4	50 Å²	50	3%	0.028	27%	0.272	C	S	.	.	H	α-helix	trans	-58.6	-40.6	175.2	-172.2	0	0	0	0	111.6	N750 E1009 I1010 L1011 C1016 A1017	N750-S1013 PolarHBondContact N-OG 2.9Å; N750-S1013 WeakPolarHBondContact O-CB 3.45Å; N750-S1013 PolarHBondContact O-OG 2.67Å; E1009-S1013 WeakPolarHBondContact O-CB 3.44Å; E1009-S1013 PolarHBondContact O-N 3.2Å; I1010-S1013 WeakPolarHBondContact O-CB 3.48Å; I1010-S1013 PolarHBondContact O-N 3Å; L1011-S1013 PolarHBondContact O-N 3.4Å; S1013-C1016 CarbonylContact O-C 3.47Å; S1013-C1016 PolarHBondContact O-N 3.48Å; S1013-A1017 PolarHBondContact O-N 3.08Å
1014	R	93.2	Very high	73.9	Confident	12 Å²	12	53.7 Å²	53.7	5%	0.045	30%	0.303	C	S	.	.	H	α-helix	trans	-75.2	-35.1	179.7	-68.7	-46.1	80.6	173.7	1.8	113.6	S712 C713 I882 E925 I1010 L1011 L1012 C1016	S712-R1014 PolarHBondContact OG-NH2 3.48Å; C713-R1014 PolarHBondContact O-NH1 2.87Å; I882-R1014 HydrophobicContact CD1-CB 4.43Å; E925-R1014 HydrophobicContact CG-CB 3.83Å; E925-R1014 HydrophobicContact CG-CG 3.97Å; E925-R1014 WeakPolarHBondContact OE1-CD 3.42Å; I1010-R1014 HydrophobicContact CG2-CG 4.35Å; I1010-R1014 WeakPolarHBondContact O-CG 2.81Å; I1010-R1014 PolarHBondContact O-N 3.37Å; L1011-R1014 PolarHBondContact O-N 2.81Å; L1012-R1014 VanDerWaalsContact C-N 3.27Å; L1012-R1014 PolarHBondContact O-N 3.38Å; R1014-C1016 PolarHBondContact O-N 2.98Å
1015	M	93.5	Very high	71	Confident	1 Å²	1	62.9 Å²	62.9	1%	0.005	36%	0.363	C	S	.	.	H	α-helix	trans	-60.3	-31	171.6	-73.2	178	168.9	0	0	112.5	L761 R764 I766 F768 L781 V850 V852 I882 L1011 L1012	L761-M1015 HydrophobicContact CD2-CB 4.25Å; R764-M1015 PolarHBondContact NH1-O 2.81Å; R764-M1015 VanDerWaalsContact NH1-O 3.07Å; I766-M1015 HydrophobicContact CG2-CE 3.74Å; F768-M1015 HydrophobicContact CZ-CE 4.12Å; L781-M1015 HydrophobicContact CD2-SD 4.42Å; V850-M1015 HydrophobicContact CG1-CE 4.12Å; V850-M1015 HydrophobicContact CG1-CG 4.3Å; V852-M1015 HydrophobicContact CG2-CE 3.38Å; I882-M1015 HydrophobicContact CD1-CB 4.44Å; I882-M1015 HydrophobicContact CD1-CE 4.43Å; I882-M1015 HydrophobicContact CD1-CG 3.51Å; L1011-M1015 HydrophobicContact CD1-CE 3.84Å; L1011-M1015 HydrophobicContact CD1-CG 4.47Å; L1011-M1015 HydrophobicContact CD2-CE 3.88Å; L1011-M1015 HydrophobicContact CG-CE 3.77Å; L1011-M1015 HydrophobicContact CG-SD 4.24Å; L1011-M1015 WeakPolarHBondContact O-CG 3.2Å; L1011-M1015 PolarHBondContact O-N 3.34Å; L1012-M1015 HydrophobicContact CD2-SD 4.37Å; L1012-M1015 PolarHBondContact O-N 3.34Å
1016	C	91.7	Very high	70	Confident	25 Å²	25	64.6 Å²	64.6	17%	0.169	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	8.1	-172.3	-66.9	0	0	0	0	114.7	L752 C760 L1012 S1013 R1014 S1018	L752-C1016 HydrophobicContact CD1-CB 3.44Å; L752-C1016 VanDerWaalsContact CD1-CB 3.44Å; C760-C1016 HydrophobicContact CB-CB 3.89Å; C760-C1016 WeakPolarHBondContact CB-SG 3.08Å; C760-C1016 WeakPolarHBondContact SG-CA 3.37Å; C760-C1016 WeakPolarHBondContact SG-CB 3.48Å; C760-C1016 CovalentContact SG-SG 2.02Å; C760-C1016 PolarHBondContact SG-SG 3.35Å; L1012-C1016 WeakPolarHBondContact O-CB 3.45Å; L1012-C1016 PolarHBondContact O-N 2.91Å; S1013-C1016 CarbonylContact O-C 3.47Å; S1013-C1016 PolarHBondContact O-N 3.48Å; R1014-C1016 PolarHBondContact O-N 2.98Å; C1016-S1018 PolarHBondContact O-N 2.76Å
1017	A	85.3	Confident	68.8	Low	51 Å²	51	67.1 Å²	67.1	42%	0.421	39%	0.389	S	S	.	.			trans	-62.4	122	173.7	0	0	0	0	0	108.7	S1013 Q1019	S1013-A1017 PolarHBondContact O-N 3.08Å; A1017-Q1019 PolarHBondContact O-N 2.91Å
1018	S	55.7	Low	67.3	Low	119 Å²	119	70.5 Å²	70.5	83%	0.832	41%	0.409	S	S	*	.			trans	-57.4	130	178.5	44.7	0	0	0	0	110.1	C1016	C1016-S1018 PolarHBondContact O-N 2.76Å
1019	Q	45.5	Very low	65.7	Low	156 Å²	156	74.6 Å²	74.6	73%	0.729	43%	0.432	S	S	*	.			trans	-18.9	127.2	-172.7	-71.8	178.7	-13.7	0	0	116.2	A1017 S1021	A1017-Q1019 PolarHBondContact O-N 2.91Å; Q1019-S1021 PolarHBondContact O-N 3.18Å
1020	R	40.6	Very low	64	Low	163 Å²	163	78.9 Å²	78.9	62%	0.615	46%	0.458	S	S	*	.			trans	-47.5	110.7	154.4	-74.1	179.7	179.4	167.5	2.9	107.2	G923 E925 A1022	G923-R1020 PolarHBondContact O-NH1 3.12Å; G923-R1020 PolarHBondContact O-NH2 2.95Å; E925-R1020 IonicContact OE2-CZ 2.98Å; E925-R1020 IonicContact OE2-NH2 2.74Å; E925-R1020 PolarHBondContact OE2-NH2 3.32Å; R1020-A1022 PolarHBondContact O-N 2.87Å
1021	S	27.2	Very low	61.9	Low	101 Å²	101	83.7 Å²	83.7	71%	0.706	49%	0.486	S	S	*	.			trans	-50.3	114.9	160	52.3	0	0	0	0	106.2	Q1019 R1023	Q1019-S1021 PolarHBondContact O-N 3.18Å; S1021-R1023 PolarHBondContact O-N 3.27Å
1022	A	29.6	Very low	59.5	Low	102 Å²	102	89.6 Å²	89.6	84%	0.843	52%	0.52	S	S	*	.			trans	-56.1	92	173.9	0	0	0	0	0	108.8	R1020	R1020-A1022 PolarHBondContact O-N 2.87Å
1023	R	26.6	Very low	56.8	Low	235 Å²	235	96.5 Å²	96.5	89%	0.887	56%	0.56	S	S	*	*			trans	-92.1	89.5	150.5	-77.9	-173.5	178.6	-179	0.3	104.7	S1021	S1021-R1023 PolarHBondContact O-N 3.27Å
1024	A	24.2	Very low	53.7	Low	82 Å²	82	104.2 Å²	104.2	68%	0.678	60%	0.604	S	S	*	*			trans	-54.6	148.9	160.4	0	0	0	0	0	108.8
1025	P	31.8	Very low	50.1	Low	203 Å²	203	112.5 Å²	112.5	100%	1.318	66%	0.655	S	S	*	*			trans	-54.7	0	161.7	-16.4	29	0	0	0	111.6

Retrieved 1,025 of 1,025 residues in 541.6 ms (Link to these results)

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