A0A077Z6J1_TRITR Loading...

Transient receptor potential cation channel

AlphaFold DB , UniProt , Accession A0A077Z6J1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,090 aa.

						>A0A077Z6J1_TRITR|A0A077Z6J1
MSALHPAYFHFRCGCGRYFGIHYYFEEEKEPSAYKEGYKWNVSDCTAPFSTDAYGTLKFHGVARPWKSSYLRLDYTADPNDIWQLLVHVWGLEPPKLVITIYGGGNDFDLSPALWQEFRNGLLRVANNTSVWVITSGIRVGQLVHCDDNEPAVTSNFALIGIAPWGLIRRAEKLIGSNKCLNYYPFSSQRSRFVSLCEGHNCFLLVDDGTLGRSGAEIAVRRKFEAFLTQKTMNNSSRLMPIVLLMLGGGRLAMHSATECVRAPIPVPVVLCKNSGRAADQSFHTITRLNNFLRQNEEQFKSQLLKRIEETLETNTEELTIFDGLSVINAEEQLDCKILNALLQGRSSSQVDRLSLLLAWNREDMVREMLERGVEWEESALDSVMMQALMHDRIDFVQLLLANGVAIEAFLTPERLEELYNTDKGPPNTLNTLMQDTYSLPDIGLLIEKLMGGGYRSTYRRREFRSRYKQCLKVNIACFEYLLFIEMLPLGLSQEISRSVCLVICTDRVGSYFFENPFNDLFLWAVLTNRLNMAVCMWRQGDEPLAKALVGYKLFKSMAKEADSIYGLPAITTGKRRFINFYVLRREFRKRSNELLEQCYKTDDFFTMQVLTYELKNWGKKNCISLAALGNNKEFIAHPSCQVLLADLWMGGLGIRKNVNLKVLLGVLIPPVIFTLPFKTKEQLLLQAQTAAEFQEHCDPDEWSFASESSSTESDSELKIAPTANDDERATAVDFKNGAQPKRIRRHRKISQYVPSNQSEAASVMIGLAHFRQDLSVQKKIREFYAAPILSYLFFLTCFTYIVLVKATPEPYWAEYYVFAFVLGFFCLMMDAKDLRTKIKVFSRHRWDWASFWGSLSYFVGFGLRLGPQTLELGRVILKVNIMFWYMRLLHVMTVSSRLGPYITIYGKMVSKMVLLCIILFVLLISFGVFRQAITYPNESWEWELVRNIVYKPYFMLYGEVYAGEIDTCGDNDTNCVYFYWLSPLFMTVYLLLSIIVFLNMMIAAFNAHSNLIWKYQKFEQVMDYEQQSFLPPPFVLVVHLFQLGRYCCRRLCRCNKVKRTDLSLSKLSSRLTPLACYAIFKRNIDYDNC
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45	Very low	50.1	Low	249 Å²	249	136 Å²	136	100%	1.227	72%	0.722	S	S	*	*				0	18.7	0	-97.6	-179.6	171.6	0	0	114.4
2	S	35	Very low	52.2	Low	118 Å²	118	135.8 Å²	135.8	83%	0.825	70%	0.704	S	S	*	*			trans	-166.8	86.1	176.6	50	0	0	0	0	110.2
3	A	44.7	Very low	54.3	Low	99 Å²	99	127.5 Å²	127.5	82%	0.818	66%	0.664	S	S	*	*			trans	172.8	81	160.5	0	0	0	0	0	110
4	L	44	Very low	55.9	Low	160 Å²	160	120.7 Å²	120.7	84%	0.838	64%	0.641	S	S	*	*	S	Bend	trans	-154.2	125.7	156.3	-101.8	153.6	0	0	0	107.7
5	H	44.9	Very low	57.6	Low	140 Å²	140	113.3 Å²	113.3	65%	0.648	60%	0.602	S	S	*	*			trans	-55.6	132.9	-167.1	-126.8	-83.5	0	0	0	112.4	A7 Y8	H5-A7 PolarHBondContact O-N 3.29Å; H5-Y8 HydrophobicContact CB-CD2 4.26Å; H5-Y8 PolarHBondContact O-N 2.92Å
6	P	51.8	Low	59.1	Low	102 Å²	102	106.9 Å²	106.9	66%	0.662	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-61.4	-8.3	176.9	22.7	-31.9	0	0	0	114.2
7	A	53.1	Low	60.3	Low	53 Å²	53	104.9 Å²	104.9	44%	0.438	56%	0.555	S	S	.	*	G	3₁₀ helix	trans	-71.7	-24	178.7	0	0	0	0	0	114	H5	H5-A7 PolarHBondContact O-N 3.29Å
8	Y	50.9	Low	61.5	Low	158 Å²	158	104.3 Å²	104.3	62%	0.62	54%	0.544	S	S	*	.	G	3₁₀ helix	trans	-82.4	-16.2	-177.2	-76.6	-81	0	0	0	114.3	H5 H10 F11	H5-Y8 HydrophobicContact CB-CD2 4.26Å; H5-Y8 PolarHBondContact O-N 2.92Å; Y8-H10 PolarHBondContact O-N 3.31Å; Y8-F11 HydrophobicContact CD1-CD2 4.46Å; Y8-F11 PolarHBondContact O-N 3.21Å
9	F	52.7	Low	62.1	Low	131 Å²	131	104.6 Å²	104.6	58%	0.575	54%	0.541	S	S	*	.	G	3₁₀ helix	trans	-67.7	-18.4	180	-85.7	-84.9	0	0	0	114.1
10	H	60.6	Low	62.4	Low	150 Å²	150	100.8 Å²	100.8	69%	0.694	53%	0.528	S	S	*	.	G	3₁₀ helix	trans	-94.2	-7	-176.9	-72.2	-54.6	0	0	0	115.1	Y8	Y8-H10 PolarHBondContact O-N 3.31Å
11	F	68.6	Low	62.9	Low	136 Å²	136	100 Å²	100	60%	0.596	52%	0.524	S	S	*	.	P	Polyproline II helix	trans	-80.7	138.1	176.8	-70.8	-80.5	0	0	0	111.4	Y8 F19	Y8-F11 HydrophobicContact CD1-CD2 4.46Å; Y8-F11 PolarHBondContact O-N 3.21Å; F11-F19 PolarHBondContact O-N 3.46Å
12	R	74.8	Confident	64.2	Low	133 Å²	133	90.5 Å²	90.5	50%	0.502	48%	0.477	S	S	.	.	B	Isolated β-bridge	trans	-87.7	137	174.7	-67.3	-178.9	-178.1	-98.6	-2.5	109.7	G16 R17 Y18	R12-G16 WeakPolarHBondContact CD-O 3.43Å; R12-G16 PolarHBondContact NH1-O 3.02Å; R12-R17 CarbonylContact C-O 3.53Å; R12-R17 VanDerWaalsContact CA-O 3.24Å; R12-R17 WeakPolarHBondContact CA-O 3.16Å; R12-Y18 HydrophobicContact CG-CD1 4.41Å; R12-Y18 HydrophobicContact CG-CE1 4.33Å; R12-Y18 PolarHBondContact NH2-OH 2.86Å; R12-Y18 VanDerWaalsContact NH2-OH 3.13Å
13	C	79.3	Confident	65.4	Low	28 Å²	28	92.6 Å²	92.6	19%	0.189	47%	0.468	C	S	.	.	P	Polyproline II helix	trans	-65.3	171.6	169.5	62.2	0	0	0	0	111.5	C15 G16 R17 H22	C13-C15 WeakPolarHBondContact CB-SG 3.1Å; C13-C15 PolarHBondContact O-N 3.33Å; C13-C15 VanDerWaalsContact O-N 3.12Å; C13-C15 VanDerWaalsContact SG-CA 3.53Å; C13-C15 WeakPolarHBondContact SG-CB 3.13Å; C13-C15 PolarHBondContact SG-N 3.09Å; C13-C15 CovalentContact SG-SG 2.05Å; C13-C15 PolarHBondContact SG-SG 2.75Å; C13-G16 PolarHBondContact O-N 2.87Å; C13-G16 PolarHBondContact SG-N 3.07Å; C13-R17 PolarHBondContact N-O 2.7Å; C13-R17 PolarHBondContact SG-N 3.41Å; C13-R17 PolarHBondContact SG-O 3.24Å; C13-H22 PolarHBondContact SG-NE2 3.39Å
14	G	77.6	Confident	66	Low	33 Å²	33	97.6 Å²	97.6	34%	0.34	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-28.1	168.4	0	0	0	0	0	113.8	R213	G14-R213 PolarHBondContact O-NH2 2.67Å
15	C	81.2	Confident	66.7	Low	9 Å²	9	96.4 Å²	96.4	6%	0.061	46%	0.455	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-12.3	173.1	37.7	0	0	0	0	115.6	C13 H22 W40 T210 L211	C13-C15 WeakPolarHBondContact CB-SG 3.1Å; C13-C15 PolarHBondContact O-N 3.33Å; C13-C15 VanDerWaalsContact O-N 3.12Å; C13-C15 VanDerWaalsContact SG-CA 3.53Å; C13-C15 WeakPolarHBondContact SG-CB 3.13Å; C13-C15 PolarHBondContact SG-N 3.09Å; C13-C15 CovalentContact SG-SG 2.05Å; C13-C15 PolarHBondContact SG-SG 2.75Å; C15-H22 PolarHBondContact SG-CE1 2.83Å; C15-H22 PolarHBondContact SG-NE2 2.82Å; C15-W40 HydrophobicContact CB-CZ2 3.71Å; C15-T210 CarbonylContact O-C 3.51Å; C15-T210 WeakPolarHBondContact O-CA 3.42Å; C15-L211 PolarHBondContact O-N 2.95Å
16	G	81.1	Confident	67.1	Low	12 Å²	12	93 Å²	93	12%	0.124	44%	0.439	C	S	.	.	S	Bend	trans	88	-7.5	-179.8	0	0	0	0	0	116.1	R12 C13	R12-G16 WeakPolarHBondContact CD-O 3.43Å; R12-G16 PolarHBondContact NH1-O 3.02Å; C13-G16 PolarHBondContact O-N 2.87Å; C13-G16 PolarHBondContact SG-N 3.07Å
17	R	80.6	Confident	67.1	Low	73 Å²	73	96.9 Å²	96.9	28%	0.275	45%	0.448	S	S	.	.	S	Bend	trans	-79.9	161.2	169.9	-63.7	-174.9	-173.7	-177.3	3.7	111.1	R12 C13 I21 L211	R12-R17 CarbonylContact C-O 3.53Å; R12-R17 VanDerWaalsContact CA-O 3.24Å; R12-R17 WeakPolarHBondContact CA-O 3.16Å; C13-R17 PolarHBondContact N-O 2.7Å; C13-R17 PolarHBondContact SG-N 3.41Å; C13-R17 PolarHBondContact SG-O 3.24Å; R17-I21 HydrophobicContact CB-CD1 4.38Å; R17-L211 HydrophobicContact CG-CB 4.24Å; R17-L211 HydrophobicContact CG-CD1 4.37Å
18	Y	80.7	Confident	67	Low	93 Å²	93	103.3 Å²	103.3	37%	0.365	47%	0.469	S	S	.	.	B	Isolated β-bridge	trans	-72.3	141.7	173.1	-69.1	-75.8	0	0	0	110.1	R12 G20 I21	R12-Y18 HydrophobicContact CG-CD1 4.41Å; R12-Y18 HydrophobicContact CG-CE1 4.33Å; R12-Y18 PolarHBondContact NH2-OH 2.86Å; R12-Y18 VanDerWaalsContact NH2-OH 3.13Å; Y18-G20 PolarHBondContact O-N 3.44Å; Y18-G20 VanDerWaalsContact O-N 3.14Å; Y18-I21 WeakPolarHBondContact O-CB 3.32Å; Y18-I21 PolarHBondContact O-N 3.29Å
19	F	73	Confident	67.1	Low	110 Å²	110	103 Å²	103	48%	0.482	47%	0.472	S	S	.	.	G	3₁₀ helix	trans	-53	-39.1	-176.6	-164.4	-93.6	0	0	0	112.7	F11 I21 H22	F11-F19 PolarHBondContact O-N 3.46Å; F19-I21 PolarHBondContact O-N 2.93Å; F19-H22 PolarHBondContact O-N 2.7Å
20	G	68.2	Low	66.7	Low	28 Å²	28	104 Å²	104	29%	0.289	48%	0.478	S	S	.	.	G	3₁₀ helix	trans	-60.6	-13.7	178.5	0	0	0	0	0	116	Y18	Y18-G20 PolarHBondContact O-N 3.44Å; Y18-G20 VanDerWaalsContact O-N 3.14Å
21	I	72.8	Confident	66.2	Low	84 Å²	84	102.5 Å²	102.5	43%	0.431	48%	0.481	S	S	.	.	G	3₁₀ helix	trans	-82.1	-21.2	177.6	-60.6	172.6	0	0	0	111.5	R17 Y18 F19	R17-I21 HydrophobicContact CB-CD1 4.38Å; Y18-I21 WeakPolarHBondContact O-CB 3.32Å; Y18-I21 PolarHBondContact O-N 3.29Å; F19-I21 PolarHBondContact O-N 2.93Å
22	H	72.4	Confident	65.2	Low	51 Å²	51	100.2 Å²	100.2	24%	0.236	48%	0.483	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-18.3	-178.4	-66.6	-76.2	0	0	0	113.6	C13 C15 F19 Y24 F25	C13-H22 PolarHBondContact SG-NE2 3.39Å; C15-H22 PolarHBondContact SG-CE1 2.83Å; C15-H22 PolarHBondContact SG-NE2 2.82Å; F19-H22 PolarHBondContact O-N 2.7Å; H22-Y24 PolarHBondContact O-N 3.23Å; H22-Y24 VanDerWaalsContact O-N 3.1Å; H22-F25 PolarHBondContact O-N 3.41Å
23	Y	59.7	Low	64.1	Low	162 Å²	162	97.6 Å²	97.6	64%	0.635	49%	0.489	S	S	*	.	G	3₁₀ helix	trans	-58.3	-29.3	-173.7	-161	-105	0	0	0	113.8	F25	Y23-F25 VanDerWaalsContact C-N 3.27Å; Y23-F25 PolarHBondContact O-N 3.3Å
24	Y	58.3	Low	62.8	Low	203 Å²	203	104.4 Å²	104.4	80%	0.796	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-71	-15.5	179.1	-81	-79.1	0	0	0	114.8	H22	H22-Y24 PolarHBondContact O-N 3.23Å; H22-Y24 VanDerWaalsContact O-N 3.1Å
25	F	57.8	Low	61.6	Low	136 Å²	136	111 Å²	111	60%	0.596	53%	0.532	S	S	*	.	G	3₁₀ helix	trans	-109.8	-3.9	-178.4	-66	-82.1	0	0	0	113	H22 Y23 F49	H22-F25 PolarHBondContact O-N 3.41Å; Y23-F25 VanDerWaalsContact C-N 3.27Å; Y23-F25 PolarHBondContact O-N 3.3Å; F25-F49 HydrophobicContact CD1-CZ 4.44Å; F25-F49 HydrophobicContact CE1-CZ 4.3Å
26	E	54.8	Low	60.3	Low	68 Å²	68	120.3 Å²	120.3	32%	0.318	57%	0.574	S	S	.	*	G	3₁₀ helix	trans	-80.7	-15	-175.3	-76.4	-179.5	164.1	0	0	113.7	E28 Y34	E26-E28 PolarHBondContact O-N 3Å; E26-E28 VanDerWaalsContact O-N 3.15Å; E26-Y34 PolarHBondContact OE1-OH 3.43Å; E26-Y34 VanDerWaalsContact OE1-OH 3.07Å
27	E	51.5	Low	59.5	Low	183 Å²	183	123.6 Å²	123.6	86%	0.855	61%	0.608	S	S	*	*	G	3₁₀ helix	trans	-68	-12.8	-177.5	-71.1	-172.2	163.7	0	0	114.3
28	E	51.3	Low	58.9	Low	188 Å²	188	127 Å²	127	88%	0.879	62%	0.622	S	S	*	*	G	3₁₀ helix	trans	-105.6	-2	-175.4	-69.1	-171.2	162.2	0	0	115.6	E26	E26-E28 PolarHBondContact O-N 3Å; E26-E28 VanDerWaalsContact O-N 3.15Å
29	K	51.5	Low	58.6	Low	153 Å²	153	131 Å²	131	67%	0.665	64%	0.641	S	S	*	*	S	Bend	trans	-114.6	130.3	-178.7	-76.3	-173.3	177.3	-178.9	0	112.8
30	E	45.1	Very low	58.8	Low	151 Å²	151	128.9 Å²	128.9	71%	0.706	63%	0.63	S	S	*	*			trans	-52	137.4	171.2	-77.7	-168.6	165.7	0	0	110.9	S32	E30-S32 WeakPolarHBondContact CB-OG 3.43Å; E30-S32 PolarHBondContact O-N 3.5Å; E30-S32 PolarHBondContact OE2-OG 3.24Å
31	P	48.9	Very low	59.4	Low	118 Å²	118	131.3 Å²	131.3	77%	0.766	64%	0.636	S	S	*	*	G	3₁₀ helix	trans	-64.3	-0.9	179.1	23.6	-31.6	0	0	0	114.3	A33	P31-A33 PolarHBondContact O-N 3.39Å
32	S	48.3	Very low	59.9	Low	89 Å²	89	129 Å²	129	62%	0.622	63%	0.626	S	S	*	*	G	3₁₀ helix	trans	-71.2	-7.5	179.8	55.7	0	0	0	0	114.5	E30	E30-S32 WeakPolarHBondContact CB-OG 3.43Å; E30-S32 PolarHBondContact O-N 3.5Å; E30-S32 PolarHBondContact OE2-OG 3.24Å
33	A	51.6	Low	60.4	Low	78 Å²	78	130.1 Å²	130.1	65%	0.645	64%	0.64	S	S	*	*	G	3₁₀ helix	trans	-86.5	-8.1	-179.1	0	0	0	0	0	115.4	P31 K35	P31-A33 PolarHBondContact O-N 3.39Å; A33-K35 PolarHBondContact O-N 3.45Å; A33-K35 VanDerWaalsContact O-N 3.17Å
34	Y	53	Low	61.4	Low	170 Å²	170	126.2 Å²	126.2	67%	0.667	63%	0.63	S	S	*	*			trans	-88.7	77.9	-179.3	-73.9	-79.3	0	0	0	111.8	E26	E26-Y34 PolarHBondContact OE1-OH 3.43Å; E26-Y34 VanDerWaalsContact OE1-OH 3.07Å
35	K	51.2	Low	62.5	Low	173 Å²	173	119.3 Å²	119.3	75%	0.752	61%	0.61	S	S	*	*			trans	-85.1	117.6	164.4	-74.8	-176.2	179.1	178	0	109.7	A33 G37 Y38	A33-K35 PolarHBondContact O-N 3.45Å; A33-K35 VanDerWaalsContact O-N 3.17Å; K35-G37 PolarHBondContact O-N 3.27Å; K35-Y38 PolarHBondContact O-N 3.35Å
36	E	54.8	Low	63.7	Low	204 Å²	204	114.9 Å²	114.9	95%	0.953	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.2	126.8	169.6	-70.8	-177	156.9	0	0	110.1
37	G	64.3	Low	65.1	Low	80 Å²	80	114.3 Å²	114.3	83%	0.825	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	105.3	-1.4	179.5	0	0	0	0	0	116.6	K35 K39	K35-G37 PolarHBondContact O-N 3.27Å; G37-K39 PolarHBondContact O-N 3.37Å
38	Y	67.5	Low	66.7	Low	145 Å²	145	110.8 Å²	110.8	57%	0.569	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-71.9	123.6	177.7	-157.2	-99.6	0	0	0	112.2	K35 D44	K35-Y38 PolarHBondContact O-N 3.35Å; Y38-D44 HydrophobicContact CE1-CB 4.22Å; Y38-D44 WeakPolarHBondContact OH-CB 3.38Å; Y38-D44 VanDerWaalsContact OH-CG 3.29Å; Y38-D44 PolarHBondContact OH-OD2 3.46Å
39	K	73.7	Confident	68.4	Low	178 Å²	178	109.3 Å²	109.3	77%	0.774	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-77.6	129.3	172.7	-73.5	-177.1	-178	175.6	0	109.3	G37 N41	G37-K39 PolarHBondContact O-N 3.37Å; K39-N41 PolarHBondContact O-N 3.35Å
40	W	77.3	Confident	70.2	Confident	64 Å²	64	107.5 Å²	107.5	24%	0.242	59%	0.592	C	S	.	*	P	Polyproline II helix	trans	-60.1	123.2	177.2	-174.7	89.3	0	0	0	111.1	C15 V42 C45 T46 T210	C15-W40 HydrophobicContact CB-CZ2 3.71Å; W40-V42 HydrophobicContact CH2-CB 4.35Å; W40-V42 HydrophobicContact CH2-CG2 3.59Å; W40-V42 HydrophobicContact CZ3-CG2 3.69Å; W40-C45 HydrophobicContact CG-CB 4.42Å; W40-T46 HydrophobicContact CZ2-CG2 4.24Å; W40-T210 HydrophobicContact CH2-CG2 3.3Å; W40-T210 HydrophobicContact CZ2-CG2 4.33Å; W40-T210 HydrophobicContact CZ3-CG2 3.7Å
41	N	81.8	Confident	72.3	Confident	80 Å²	80	103.2 Å²	103.2	43%	0.428	58%	0.576	S	S	.	*			trans	-123.7	145.3	174.3	-80.7	-19.8	0	0	0	109.7	K39 S43 D44 C45	K39-N41 PolarHBondContact O-N 3.35Å; N41-S43 VanDerWaalsContact C-N 3.33Å; N41-S43 PolarHBondContact O-N 2.77Å; N41-D44 HydrophobicContact CB-CB 4.47Å; N41-D44 WeakPolarHBondContact CB-OD2 3.39Å; N41-D44 PolarHBondContact ND2-OD2 3.23Å; N41-D44 PolarHBondContact O-N 3.13Å; N41-C45 VanDerWaalsContact O-CB 3.24Å; N41-C45 WeakPolarHBondContact O-CB 3.5Å; N41-C45 PolarHBondContact O-N 3.47Å; N41-C45 VanDerWaalsContact O-N 3.08Å; N41-C45 PolarHBondContact O-SG 2.78Å
42	V	83.6	Confident	74.3	Confident	35 Å²	35	100.7 Å²	100.7	21%	0.212	56%	0.556	C	S	.	*	H	α-helix	trans	-61.3	-42.6	179.2	178.9	0	0	0	0	111.2	W40 D44 T46 Y75 D208 T210	W40-V42 HydrophobicContact CH2-CB 4.35Å; W40-V42 HydrophobicContact CH2-CG2 3.59Å; W40-V42 HydrophobicContact CZ3-CG2 3.69Å; V42-D44 VanDerWaalsContact C-N 3.32Å; V42-D44 PolarHBondContact O-N 3.07Å; V42-T46 HydrophobicContact CG1-CG2 4.28Å; V42-T46 WeakPolarHBondContact O-CB 3.17Å; V42-T46 WeakPolarHBondContact O-CG2 3.27Å; V42-T46 PolarHBondContact O-N 2.9Å; V42-T46 PolarHBondContact O-OG1 3.39Å; V42-Y75 HydrophobicContact CG1-CD1 4.16Å; V42-Y75 HydrophobicContact CG1-CE1 3.48Å; V42-Y75 VanDerWaalsContact CG1-CE1 3.48Å; V42-Y75 HydrophobicContact CG1-CE2 4.41Å; V42-D208 HydrophobicContact CG1-CB 4.14Å; V42-D208 WeakPolarHBondContact CG1-O 3.28Å; V42-T210 HydrophobicContact CG2-CG2 4.41Å
43	S	81.8	Confident	76.4	Confident	75 Å²	75	96.4 Å²	96.4	52%	0.524	53%	0.526	S	S	.	.	H	α-helix	trans	-62.3	-37.1	-176.9	53.1	0	0	0	0	113.5	N41	N41-S43 VanDerWaalsContact C-N 3.33Å; N41-S43 PolarHBondContact O-N 2.77Å
44	D	82.2	Confident	78.4	Confident	80 Å²	80	97 Å²	97	43%	0.428	51%	0.513	S	S	.	.	H	α-helix	trans	-99.3	-25.5	-167.6	-47.5	-32.3	0	0	0	111.2	Y38 N41 V42	Y38-D44 HydrophobicContact CE1-CB 4.22Å; Y38-D44 WeakPolarHBondContact OH-CB 3.38Å; Y38-D44 VanDerWaalsContact OH-CG 3.29Å; Y38-D44 PolarHBondContact OH-OD2 3.46Å; N41-D44 HydrophobicContact CB-CB 4.47Å; N41-D44 WeakPolarHBondContact CB-OD2 3.39Å; N41-D44 PolarHBondContact ND2-OD2 3.23Å; N41-D44 PolarHBondContact O-N 3.13Å; V42-D44 VanDerWaalsContact C-N 3.32Å; V42-D44 PolarHBondContact O-N 3.07Å
45	C	80.1	Confident	80.3	Confident	57 Å²	57	89.3 Å²	89.3	39%	0.385	49%	0.485	S	S	.	.	H	α-helix	trans	-107	-0.5	-173.7	-57	0	0	0	0	114.3	W40 N41	W40-C45 HydrophobicContact CG-CB 4.42Å; N41-C45 VanDerWaalsContact O-CB 3.24Å; N41-C45 WeakPolarHBondContact O-CB 3.5Å; N41-C45 PolarHBondContact O-N 3.47Å; N41-C45 VanDerWaalsContact O-N 3.08Å; N41-C45 PolarHBondContact O-SG 2.78Å
46	T	83.9	Confident	82.2	Confident	44 Å²	44	83.2 Å²	83.2	27%	0.27	46%	0.463	S	S	.	.			trans	-117.7	157.9	174.3	71.1	0	0	0	0	111.2	W40 V42	W40-T46 HydrophobicContact CZ2-CG2 4.24Å; V42-T46 HydrophobicContact CG1-CG2 4.28Å; V42-T46 WeakPolarHBondContact O-CB 3.17Å; V42-T46 WeakPolarHBondContact O-CG2 3.27Å; V42-T46 PolarHBondContact O-N 2.9Å; V42-T46 PolarHBondContact O-OG1 3.39Å
47	A	84.1	Confident	83.9	Confident	56 Å²	56	73.5 Å²	73.5	46%	0.463	42%	0.417	S	S	.	.			trans	-133.5	136	175.1	0	0	0	0	0	108.9	F49	A47-F49 HydrophobicContact CB-CE2 4.05Å; A47-F49 VanDerWaalsContact O-CD2 3.31Å; A47-F49 WeakPolarHBondContact O-CD2 3.19Å
48	P	85.4	Confident	85.1	Confident	109 Å²	109	73 Å²	73	71%	0.708	39%	0.392	S	S	*	.			trans	-72	135.4	177.9	29.5	-33.6	0	0	0	110.3
49	F	86.6	Confident	85.9	Confident	156 Å²	156	66.1 Å²	66.1	68%	0.684	37%	0.365	S	S	*	.			trans	-124.8	164.8	172.5	-74.2	-87.2	0	0	0	109.8	F25 A47	F25-F49 HydrophobicContact CD1-CZ 4.44Å; F25-F49 HydrophobicContact CE1-CZ 4.3Å; A47-F49 HydrophobicContact CB-CE2 4.05Å; A47-F49 VanDerWaalsContact O-CD2 3.31Å; A47-F49 WeakPolarHBondContact O-CD2 3.19Å
50	S	89.3	Confident	86.3	Confident	115 Å²	115	60.4 Å²	60.4	80%	0.804	34%	0.341	S	S	*	.			trans	-59.8	141	171.4	51.5	0	0	0	0	110.8	D52	S50-D52 PolarHBondContact O-N 2.67Å
51	T	89.9	Confident	86.1	Confident	61 Å²	61	61.4 Å²	61.4	37%	0.374	37%	0.371	S	S	.	.			trans	-66.6	127	-177.6	-178.1	0	0	0	0	111.1	Y54 L71 R72	T51-Y54 HydrophobicContact CG2-CD1 4.3Å; T51-L71 HydrophobicContact CG2-CD1 4.06Å; T51-R72 PolarHBondContact OG1-O 3.42Å
52	D	90.7	Very high	85.5	Confident	65 Å²	65	58.9 Å²	58.9	35%	0.348	36%	0.359	S	S	.	.			trans	-100.4	-4.7	-179.7	60.1	-9.5	0	0	0	112.5	S50 R72 I175 G176	S50-D52 PolarHBondContact O-N 2.67Å; D52-R72 VanDerWaalsContact CG-NH1 3.34Å; D52-R72 IonicContact OD1-CZ 3.28Å; D52-R72 IonicContact OD1-NH1 3.98Å; D52-R72 PolarHBondContact OD1-NH1 3.38Å; D52-R72 IonicContact OD2-NH1 3.78Å; D52-R72 PolarHBondContact OD2-NH1 2.95Å; D52-I175 HydrophobicContact CB-CG2 4.25Å; D52-G176 CarbonylContact O-C 3.49Å; D52-G176 VanDerWaalsContact O-CA 3.28Å; D52-G176 WeakPolarHBondContact O-CA 3.44Å; D52-G176 PolarHBondContact O-N 3.08Å; D52-G176 VanDerWaalsContact O-O 3.14Å
53	A	92.4	Very high	84.5	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	92.4	-171.9	0	0	0	0	0	111.1	Y70 R72 W165	A53-Y70 HydrophobicContact CB-CE2 4.37Å; A53-R72 HydrophobicContact CB-CB 3.82Å; A53-R72 WeakPolarHBondContact O-CB 3.43Å; A53-R72 PolarHBondContact O-N 3.49Å; A53-W165 HydrophobicContact CB-CH2 3.93Å; A53-W165 HydrophobicContact CB-CZ3 4.3Å
54	Y	93	Very high	83.7	Confident	90 Å²	90	63.5 Å²	63.5	35%	0.353	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	148.7	174.2	65	-85.5	0	0	0	111.2	T51 Y70 G176 S177 N178 K179	T51-Y54 HydrophobicContact CG2-CD1 4.3Å; Y54-Y70 WeakPolarHBondContact CA-O 3.39Å; Y54-G176 PolarHBondContact N-O 3.43Å; Y54-G176 VanDerWaalsContact O-O 3.11Å; Y54-S177 WeakPolarHBondContact OH-CB 3.5Å; Y54-N178 HydrophobicContact CD2-CB 4.26Å; Y54-N178 HydrophobicContact CE2-CB 3.72Å; Y54-N178 VanDerWaalsContact CE2-N 3.29Å; Y54-N178 VanDerWaalsContact O-CA 3.22Å; Y54-N178 WeakPolarHBondContact O-CA 3.16Å; Y54-N178 PolarHBondContact O-N 3.2Å; Y54-K179 PolarHBondContact O-N 2.93Å
55	G	92.4	Very high	83	Confident	9 Å²	9	64.5 Å²	64.5	9%	0.093	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	156.9	-144.2	179.7	0	0	0	0	0	112.7	S69 Y70 K179	G55-S69 WeakPolarHBondContact O-CA 3.46Å; G55-Y70 VanDerWaalsContact C-CD1 3.4Å; G55-Y70 PolarHBondContact N-O 3.32Å; G55-Y70 VanDerWaalsContact N-O 3.07Å; G55-Y70 WeakPolarHBondContact O-CD1 3.28Å; G55-Y70 PolarHBondContact O-N 3.09Å; G55-K179 WeakPolarHBondContact CA-O 3.24Å
56	T	92.2	Very high	82.7	Confident	45 Å²	45	65.7 Å²	65.7	28%	0.276	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	130.9	-179.2	51.5	0	0	0	0	111	S68 K179 C180 L181	T56-S68 CarbonylContact C-O 3.55Å; T56-S68 WeakPolarHBondContact CA-O 3.31Å; T56-K179 PolarHBondContact N-O 2.88Å; T56-C180 CarbonylContact O-C 3.55Å; T56-C180 VanDerWaalsContact O-CA 3.3Å; T56-C180 WeakPolarHBondContact O-CA 3.24Å; T56-C180 PolarHBondContact OG1-SG 2.75Å; T56-L181 PolarHBondContact O-N 3.49Å
57	L	89.7	Confident	82.8	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	134.7	170.1	-48.9	176.1	0	0	0	109.1	F59 K67 S68 Y70 L174 L181 L196 F203	L57-F59 HydrophobicContact CB-CE2 4.39Å; L57-K67 CarbonylContact O-C 3.49Å; L57-K67 VanDerWaalsContact O-CA 3.31Å; L57-K67 WeakPolarHBondContact O-CA 3.49Å; L57-S68 WeakPolarHBondContact CB-OG 3.27Å; L57-S68 PolarHBondContact N-O 3.12Å; L57-S68 PolarHBondContact O-N 3.16Å; L57-Y70 HydrophobicContact CD1-CD1 4.33Å; L57-Y70 HydrophobicContact CD1-CG 4.37Å; L57-Y70 HydrophobicContact CD2-CD1 3.48Å; L57-Y70 VanDerWaalsContact CD2-CD1 3.48Å; L57-Y70 HydrophobicContact CD2-CE1 3.52Å; L57-Y70 HydrophobicContact CD2-CG 4.11Å; L57-Y70 HydrophobicContact CG-CD1 3.52Å; L57-Y70 HydrophobicContact CG-CE1 4.08Å; L57-Y70 HydrophobicContact CG-CG 4.04Å; L57-L174 HydrophobicContact CD2-CD2 3.48Å; L57-L174 VanDerWaalsContact CD2-CD2 3.48Å; L57-L181 CarbonylContact C-O 3.56Å; L57-L181 WeakPolarHBondContact CA-O 3.46Å; L57-L181 HydrophobicContact CD2-CB 4.19Å; L57-L181 HydrophobicContact CD2-CD1 4.45Å; L57-L196 HydrophobicContact CD1-CD1 3.57Å; L57-F203 HydrophobicContact CD1-CD2 4.15Å; L57-F203 HydrophobicContact CD1-CE2 4.47Å
58	K	89.3	Confident	83	Confident	68 Å²	68	68.2 Å²	68.2	30%	0.296	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	106.1	168.2	-75.6	174.8	174.7	163	0	108.5	H60 W66 K67 C180 L181 N182 Y183	K58-H60 PolarHBondContact O-N 3.15Å; K58-H60 PolarHBondContact O-ND1 2.98Å; K58-W66 CarbonylContact C-O 3.6Å; K58-W66 WeakPolarHBondContact CA-O 3.35Å; K58-K67 HydrophobicContact CG-CG 4.13Å; K58-C180 VanDerWaalsContact CD-SG 3.57Å; K58-C180 WeakPolarHBondContact CE-SG 3.48Å; K58-C180 PolarHBondContact NZ-SG 3.33Å; K58-C180 VanDerWaalsContact NZ-SG 3.38Å; K58-L181 PolarHBondContact N-O 3.28Å; K58-N182 CarbonylContact O-C 3.57Å; K58-N182 WeakPolarHBondContact O-CA 3.41Å; K58-Y183 PolarHBondContact O-N 2.81Å
59	F	85	Confident	83.4	Confident	1 Å²	1	64.6 Å²	64.6	0%	0.004	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	127.4	175.7	-70.7	-91.4	0	0	0	110.1	L57 V62 P65 W66 S68 Y183 P185 L196 C197 E198 F203	L57-F59 HydrophobicContact CB-CE2 4.39Å; F59-V62 HydrophobicContact CB-CG2 4.37Å; F59-P65 WeakPolarHBondContact O-CA 3.24Å; F59-W66 HydrophobicContact CB-CB 4.36Å; F59-W66 HydrophobicContact CD2-CB 4.12Å; F59-W66 PolarHBondContact N-O 2.84Å; F59-S68 WeakPolarHBondContact CE2-OG 3.38Å; F59-Y183 WeakPolarHBondContact CA-O 3.42Å; F59-Y183 AromaticContact CD1-CD1 3.84Å; F59-Y183 HydrophobicContact CD1-CD1 3.84Å; F59-Y183 AromaticContact CE1-CD1 3.53Å; F59-Y183 HydrophobicContact CE1-CD1 3.53Å; F59-Y183 HydrophobicContact CE1-CE1 4.05Å; F59-Y183 HydrophobicContact CE1-CG 4.44Å; F59-Y183 HydrophobicContact CZ-CD1 4.36Å; F59-P185 HydrophobicContact CD1-CB 4.45Å; F59-P185 HydrophobicContact CD1-CG 4.2Å; F59-L196 HydrophobicContact CE1-CB 4.48Å; F59-L196 HydrophobicContact CZ-CB 4.4Å; F59-C197 VanDerWaalsContact CE1-O 3.3Å; F59-C197 WeakPolarHBondContact CE1-O 3.48Å; F59-C197 WeakPolarHBondContact CZ-O 3.49Å; F59-E198 HydrophobicContact CD1-CB 4.11Å; F59-E198 HydrophobicContact CE1-CB 4.46Å; F59-E198 HydrophobicContact CG-CB 4.42Å; F59-F203 AromaticContact CE2-CE2 3.82Å; F59-F203 HydrophobicContact CE2-CE2 3.82Å; F59-F203 HydrophobicContact CE2-CZ 4.4Å; F59-F203 AromaticContact CZ-CE2 3.65Å; F59-F203 HydrophobicContact CZ-CE2 3.65Å; F59-F203 AromaticContact CZ-CZ 3.91Å; F59-F203 HydrophobicContact CZ-CZ 3.91Å
60	H	81.3	Confident	83.7	Confident	59 Å²	59	57.3 Å²	57.3	27%	0.273	33%	0.326	S	S	.	.			trans	-121.9	153	175	-72.4	73.7	0	0	0	109.6	K58 N182 Y183 Y184 P185	K58-H60 PolarHBondContact O-N 3.15Å; K58-H60 PolarHBondContact O-ND1 2.98Å; H60-N182 PolarHBondContact CE1-OD1 3.35Å; H60-Y183 PolarHBondContact N-O 3.34Å; H60-Y184 HydrophobicContact CB-CD1 3.79Å; H60-Y184 HydrophobicContact CB-CE1 3.33Å; H60-Y184 HydrophobicContact CB-CE2 4.47Å; H60-P185 WeakPolarHBondContact O-CD 3.35Å
61	G	72.8	Confident	84	Confident	84 Å²	84	52.9 Å²	52.9	87%	0.866	29%	0.293	S	S	*	.	S	Bend	trans	82.7	13.5	-174.1	0	0	0	0	0	114.2
62	V	69.1	Low	84.2	Confident	28 Å²	28	51.8 Å²	51.8	17%	0.17	28%	0.282	C	S	.	.	S	Bend	trans	-115.9	157	173	-165	0	0	0	0	107.7	F59 R64 P185 E198	F59-V62 HydrophobicContact CB-CG2 4.37Å; V62-R64 PolarHBondContact O-N 3.47Å; V62-P185 HydrophobicContact CG2-CG 3.94Å; V62-E198 HydrophobicContact CG1-CB 4.41Å; V62-E198 HydrophobicContact CG1-CG 4.08Å; V62-E198 HydrophobicContact CG2-CB 4.11Å; V62-E198 HydrophobicContact CG2-CG 4.36Å; V62-E198 WeakPolarHBondContact CG2-OE2 3.46Å
63	A	62.5	Low	84.3	Confident	74 Å²	74	50.1 Å²	50.1	61%	0.612	27%	0.273	S	S	*	.	S	Bend	trans	-49.1	-36.4	-175.4	0	0	0	0	0	114.2
64	R	65	Low	84.3	Confident	132 Å²	132	52.7 Å²	52.7	50%	0.498	29%	0.287	S	S	.	.	S	Bend	trans	-131	143.7	171.1	-75.4	-176.2	176	169.2	8.4	112.1	V62 W66 D148	V62-R64 PolarHBondContact O-N 3.47Å; R64-W66 PolarHBondContact O-N 3.37Å; R64-W66 VanDerWaalsContact O-N 3.13Å; R64-D148 PolarHBondContact NH1-O 3.14Å; R64-D148 PolarHBondContact NH2-O 3.01Å
65	P	68.4	Low	84.1	Confident	101 Å²	101	51.3 Å²	51.3	66%	0.656	28%	0.281	S	S	*	.			trans	-70.6	108.3	174.6	28.3	-32.6	0	0	0	110.6	F59	F59-P65 WeakPolarHBondContact O-CA 3.24Å
66	W	73.4	Confident	84	Confident	83 Å²	83	54.6 Å²	54.6	31%	0.314	30%	0.3	S	S	.	.			trans	-87	137.7	174.5	-83.7	83.4	0	0	0	111	K58 F59 R64	K58-W66 CarbonylContact C-O 3.6Å; K58-W66 WeakPolarHBondContact CA-O 3.35Å; F59-W66 HydrophobicContact CB-CB 4.36Å; F59-W66 HydrophobicContact CD2-CB 4.12Å; F59-W66 PolarHBondContact N-O 2.84Å; R64-W66 PolarHBondContact O-N 3.37Å; R64-W66 VanDerWaalsContact O-N 3.13Å
67	K	86.9	Confident	83.9	Confident	151 Å²	151	53.5 Å²	53.5	66%	0.657	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.3	126.3	170.4	-63.7	-174.8	-169.8	174.9	0	108.9	L57 K58	L57-K67 CarbonylContact O-C 3.49Å; L57-K67 VanDerWaalsContact O-CA 3.31Å; L57-K67 WeakPolarHBondContact O-CA 3.49Å; K58-K67 HydrophobicContact CG-CG 4.13Å
68	S	88.6	Confident	84.1	Confident	1 Å²	1	57.5 Å²	57.5	1%	0.007	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	132.9	175.3	67.1	0	0	0	0	110.8	T56 L57 F59 H200 N201 F203	T56-S68 CarbonylContact C-O 3.55Å; T56-S68 WeakPolarHBondContact CA-O 3.31Å; L57-S68 WeakPolarHBondContact CB-OG 3.27Å; L57-S68 PolarHBondContact N-O 3.12Å; L57-S68 PolarHBondContact O-N 3.16Å; F59-S68 WeakPolarHBondContact CE2-OG 3.38Å; S68-H200 WeakPolarHBondContact CB-O 3.26Å; S68-N201 CarbonylContact C-O 3.58Å; S68-N201 VanDerWaalsContact CA-O 3.25Å; S68-N201 WeakPolarHBondContact CA-O 3.23Å; S68-F203 WeakPolarHBondContact OG-CD2 3.43Å; S68-F203 WeakPolarHBondContact OG-CE2 3.26Å
69	S	92.2	Very high	84.3	Confident	34 Å²	34	55.3 Å²	55.3	24%	0.238	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	141.3	171.1	-61.8	0	0	0	0	109.9	G55 N201 C202 F203	G55-S69 WeakPolarHBondContact O-CA 3.46Å; S69-N201 PolarHBondContact N-O 2.85Å; S69-C202 CarbonylContact O-C 3.47Å; S69-C202 WeakPolarHBondContact O-CA 3.23Å; S69-F203 PolarHBondContact O-N 2.83Å
70	Y	93.6	Very high	84.7	Confident	2 Å²	2	57.9 Å²	57.9	1%	0.008	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	147.6	175.4	77.9	-80.2	0	0	0	111.4	A53 Y54 G55 L57 L174 L181 F203 L205	A53-Y70 HydrophobicContact CB-CE2 4.37Å; Y54-Y70 WeakPolarHBondContact CA-O 3.39Å; G55-Y70 VanDerWaalsContact C-CD1 3.4Å; G55-Y70 PolarHBondContact N-O 3.32Å; G55-Y70 VanDerWaalsContact N-O 3.07Å; G55-Y70 WeakPolarHBondContact O-CD1 3.28Å; G55-Y70 PolarHBondContact O-N 3.09Å; L57-Y70 HydrophobicContact CD1-CD1 4.33Å; L57-Y70 HydrophobicContact CD1-CG 4.37Å; L57-Y70 HydrophobicContact CD2-CD1 3.48Å; L57-Y70 VanDerWaalsContact CD2-CD1 3.48Å; L57-Y70 HydrophobicContact CD2-CE1 3.52Å; L57-Y70 HydrophobicContact CD2-CG 4.11Å; L57-Y70 HydrophobicContact CG-CD1 3.52Å; L57-Y70 HydrophobicContact CG-CE1 4.08Å; L57-Y70 HydrophobicContact CG-CG 4.04Å; Y70-L174 HydrophobicContact CE2-CB 4.06Å; Y70-L174 WeakPolarHBondContact CE2-O 3.33Å; Y70-L174 PolarHBondContact OH-O 2.78Å; Y70-L181 HydrophobicContact CE1-CD1 4.44Å; Y70-L181 WeakPolarHBondContact OH-CD1 3.43Å; Y70-F203 WeakPolarHBondContact CA-O 3.43Å; Y70-L205 HydrophobicContact CD2-CD1 4.01Å
71	L	94.7	Very high	85.3	Confident	23 Å²	23	59.5 Å²	59.5	12%	0.12	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	130.9	175.7	177.4	64.6	0	0	0	109.9	T51 L73 L85 W90 F203 L205	T51-L71 HydrophobicContact CG2-CD1 4.06Å; L71-L73 HydrophobicContact CD2-CD2 3.43Å; L71-L73 VanDerWaalsContact CD2-CD2 3.43Å; L71-L73 HydrophobicContact CD2-CG 3.99Å; L71-L73 HydrophobicContact CG-CD2 3.87Å; L71-L73 HydrophobicContact CG-CG 4.06Å; L71-L85 HydrophobicContact CB-CD2 4.5Å; L71-L85 HydrophobicContact CD2-CD1 4.13Å; L71-L85 HydrophobicContact CD2-CD2 3.32Å; L71-L85 HydrophobicContact CD2-CG 4.36Å; L71-W90 HydrophobicContact CB-CH2 4.31Å; L71-W90 HydrophobicContact CB-CZ2 4.06Å; L71-F203 PolarHBondContact N-O 3.39Å; L71-L205 PolarHBondContact O-N 2.88Å
72	R	94.4	Very high	86.4	Confident	38 Å²	38	55.7 Å²	55.7	14%	0.143	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	124.4	165.8	-176.5	179.8	176.9	-167.1	0.3	109.8	T51 D52 A53 W165 L205 D207	T51-R72 PolarHBondContact OG1-O 3.42Å; D52-R72 VanDerWaalsContact CG-NH1 3.34Å; D52-R72 IonicContact OD1-CZ 3.28Å; D52-R72 IonicContact OD1-NH1 3.98Å; D52-R72 PolarHBondContact OD1-NH1 3.38Å; D52-R72 IonicContact OD2-NH1 3.78Å; D52-R72 PolarHBondContact OD2-NH1 2.95Å; A53-R72 HydrophobicContact CB-CB 3.82Å; A53-R72 WeakPolarHBondContact O-CB 3.43Å; A53-R72 PolarHBondContact O-N 3.49Å; R72-W165 HydrophobicContact CG-CD2 4.3Å; R72-W165 HydrophobicContact CG-CE3 4.39Å; R72-L205 CarbonylContact C-O 3.55Å; R72-L205 VanDerWaalsContact CA-O 3.3Å; R72-L205 WeakPolarHBondContact CA-O 3.23Å; R72-D207 HydrophobicContact CG-CB 4.3Å; R72-D207 IonicContact CZ-OD2 3.71Å; R72-D207 IonicContact NE-OD2 2.66Å; R72-D207 PolarHBondContact NE-OD2 3.24Å; R72-D207 IonicContact NH2-OD2 3.61Å; R72-D207 PolarHBondContact NH2-OD2 2.66Å
73	L	93.2	Very high	87.5	Confident	29 Å²	29	55.6 Å²	55.6	15%	0.152	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	149.3	-177.8	-70.2	177.4	0	0	0	110.2	L71 I82 L204 L205 V206 D207	L71-L73 HydrophobicContact CD2-CD2 3.43Å; L71-L73 VanDerWaalsContact CD2-CD2 3.43Å; L71-L73 HydrophobicContact CD2-CG 3.99Å; L71-L73 HydrophobicContact CG-CD2 3.87Å; L71-L73 HydrophobicContact CG-CG 4.06Å; L73-I82 HydrophobicContact CD1-CD1 4.22Å; L73-I82 HydrophobicContact CD1-CG1 4.11Å; L73-L204 HydrophobicContact CD1-CB 4.19Å; L73-L204 HydrophobicContact CD1-CD2 3.9Å; L73-L204 HydrophobicContact CD1-CG 4.45Å; L73-L205 PolarHBondContact N-O 3.34Å; L73-V206 CarbonylContact O-C 3.45Å; L73-V206 WeakPolarHBondContact O-CA 3.38Å; L73-D207 PolarHBondContact O-N 3.3Å
74	D	92.5	Very high	89	Confident	54 Å²	54	56.6 Å²	56.6	29%	0.289	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	150.7	168.9	-177.1	60.5	0	0	0	111.1	T76 A77	D74-T76 PolarHBondContact O-N 3.45Å; D74-T76 VanDerWaalsContact O-N 3.15Å; D74-T76 VanDerWaalsContact OD2-CB 3.26Å; D74-T76 WeakPolarHBondContact OD2-CB 3.47Å; D74-T76 WeakPolarHBondContact OD2-CG2 3.38Å; D74-T76 PolarHBondContact OD2-N 2.88Å; D74-T76 PolarHBondContact OD2-OG1 2.9Å; D74-A77 VanDerWaalsContact O-CB 3.29Å; D74-A77 WeakPolarHBondContact O-CB 3.35Å; D74-A77 PolarHBondContact O-N 3.26Å; D74-A77 VanDerWaalsContact O-N 3.11Å
75	Y	90	Very high	90.4	Very high	61 Å²	61	51.7 Å²	51.7	24%	0.239	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-14.6	178.4	79.4	-80	0	0	0	113.9	V42 D207 D208 V220	V42-Y75 HydrophobicContact CG1-CD1 4.16Å; V42-Y75 HydrophobicContact CG1-CE1 3.48Å; V42-Y75 VanDerWaalsContact CG1-CE1 3.48Å; V42-Y75 HydrophobicContact CG1-CE2 4.41Å; Y75-D207 PolarHBondContact N-O 2.94Å; Y75-D208 HydrophobicContact CD1-CB 4.12Å; Y75-D208 HydrophobicContact CG-CB 4.26Å; Y75-V220 WeakPolarHBondContact O-CG2 3.31Å
76	T	89.9	Confident	91.5	Very high	79 Å²	79	46.9 Å²	46.9	49%	0.485	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	2.1	175.1	71.6	0	0	0	0	114.6	D74	D74-T76 PolarHBondContact O-N 3.45Å; D74-T76 VanDerWaalsContact O-N 3.15Å; D74-T76 VanDerWaalsContact OD2-CB 3.26Å; D74-T76 WeakPolarHBondContact OD2-CB 3.47Å; D74-T76 WeakPolarHBondContact OD2-CG2 3.38Å; D74-T76 PolarHBondContact OD2-N 2.88Å; D74-T76 PolarHBondContact OD2-OG1 2.9Å
77	A	90.1	Very high	92.3	Very high	21 Å²	21	44.2 Å²	44.2	17%	0.174	23%	0.228	C	C	.	.			trans	-50.5	137.4	-177.2	0	0	0	0	0	113.8	D74	D74-A77 VanDerWaalsContact O-CB 3.29Å; D74-A77 WeakPolarHBondContact O-CB 3.35Å; D74-A77 PolarHBondContact O-N 3.26Å; D74-A77 VanDerWaalsContact O-N 3.11Å
78	D	93.1	Very high	92.5	Very high	84 Å²	84	43.7 Å²	43.7	45%	0.449	23%	0.227	S	C	.	.			trans	-71.8	128.6	177.2	-171.1	-23.1	0	0	0	109.9	N80 D81 I82	D78-N80 PolarHBondContact O-N 3.12Å; D78-N80 PolarHBondContact OD1-N 3.23Å; D78-D81 PolarHBondContact O-N 3.13Å; D78-D81 VanDerWaalsContact O-N 3.15Å; D78-I82 PolarHBondContact O-N 3.32Å
79	P	93.8	Very high	92.6	Very high	22 Å²	22	48.7 Å²	48.7	14%	0.143	26%	0.257	C	S	.	.	H	α-helix	trans	-57	-26.6	174.8	25.2	-37.8	0	0	0	114.5	I82 W83 F224 F227	P79-I82 PolarHBondContact O-N 3.16Å; P79-W83 PolarHBondContact O-N 3.47Å; P79-F224 HydrophobicContact CB-CD2 3.97Å; P79-F227 HydrophobicContact CB-CB 3.58Å; P79-F227 HydrophobicContact CB-CD1 4.16Å; P79-F227 HydrophobicContact CB-CD2 4.24Å; P79-F227 HydrophobicContact CB-CG 3.74Å; P79-F227 HydrophobicContact CG-CB 3.84Å; P79-F227 HydrophobicContact CG-CD2 4.15Å; P79-F227 HydrophobicContact CG-CG 4.08Å
80	N	93.9	Very high	92.6	Very high	55 Å²	55	49.9 Å²	49.9	29%	0.294	26%	0.257	S	S	.	.	H	α-helix	trans	-68.8	-35.5	177.4	-171.7	47.8	0	0	0	112.3	D78 I82 W83 Q84 F227	D78-N80 PolarHBondContact O-N 3.12Å; D78-N80 PolarHBondContact OD1-N 3.23Å; N80-I82 VanDerWaalsContact C-N 3.35Å; N80-W83 WeakPolarHBondContact O-CB 3.34Å; N80-W83 PolarHBondContact O-N 2.88Å; N80-Q84 WeakPolarHBondContact O-CG 3.43Å; N80-Q84 PolarHBondContact O-N 2.89Å; N80-F227 HydrophobicContact CB-CE2 4.17Å; N80-F227 HydrophobicContact CB-CZ 4.28Å
81	D	93.9	Very high	92.3	Very high	94 Å²	94	52.6 Å²	52.6	50%	0.503	29%	0.285	S	S	.	.	H	α-helix	trans	-67.6	-39.1	175.3	-66	-20.3	0	0	0	110.8	D78 W83 Q84 L85	D78-D81 PolarHBondContact O-N 3.13Å; D78-D81 VanDerWaalsContact O-N 3.15Å; D81-W83 VanDerWaalsContact C-N 3.32Å; D81-W83 PolarHBondContact O-N 3.07Å; D81-Q84 PolarHBondContact O-N 2.9Å; D81-L85 WeakPolarHBondContact O-CB 3.39Å; D81-L85 PolarHBondContact O-N 3.41Å
82	I	94.7	Very high	91.9	Very high	4 Å²	4	53 Å²	53	2%	0.021	29%	0.287	C	S	.	.	H	α-helix	trans	-60.6	-43.6	173.1	-58.4	176	0	0	0	110	L73 D78 P79 N80 L85 L86 L204 V220 F224	L73-I82 HydrophobicContact CD1-CD1 4.22Å; L73-I82 HydrophobicContact CD1-CG1 4.11Å; D78-I82 PolarHBondContact O-N 3.32Å; P79-I82 PolarHBondContact O-N 3.16Å; N80-I82 VanDerWaalsContact C-N 3.35Å; I82-L85 WeakPolarHBondContact O-CB 3.43Å; I82-L85 PolarHBondContact O-N 2.81Å; I82-L86 HydrophobicContact CG2-CD1 3.98Å; I82-L86 HydrophobicContact CG2-CG 4.3Å; I82-L86 VanDerWaalsContact O-CG 3.26Å; I82-L86 WeakPolarHBondContact O-CG 3.38Å; I82-L86 PolarHBondContact O-N 3.04Å; I82-L204 HydrophobicContact CG2-CD1 3.64Å; I82-V220 HydrophobicContact CD1-CG1 3.77Å; I82-F224 HydrophobicContact CB-CD2 4.01Å; I82-F224 HydrophobicContact CB-CE2 3.85Å; I82-F224 HydrophobicContact CD1-CD2 4.33Å; I82-F224 HydrophobicContact CG2-CD2 3.87Å; I82-F224 HydrophobicContact CG2-CE1 4.38Å; I82-F224 HydrophobicContact CG2-CE2 3.52Å; I82-F224 HydrophobicContact CG2-CG 4.47Å; I82-F224 HydrophobicContact CG2-CZ 3.81Å
83	W	92.8	Very high	91.4	Very high	26 Å²	26	55.6 Å²	55.6	10%	0.098	30%	0.301	C	S	.	.	H	α-helix	trans	-60.7	-46.8	176	172.7	-93.6	0	0	0	112.6	P79 N80 D81 L85 L86 V87 P94 W132 F227 L228 K231	P79-W83 PolarHBondContact O-N 3.47Å; N80-W83 WeakPolarHBondContact O-CB 3.34Å; N80-W83 PolarHBondContact O-N 2.88Å; D81-W83 VanDerWaalsContact C-N 3.32Å; D81-W83 PolarHBondContact O-N 3.07Å; W83-L85 VanDerWaalsContact C-N 3.32Å; W83-L85 PolarHBondContact O-N 2.99Å; W83-L86 PolarHBondContact O-N 3.32Å; W83-V87 HydrophobicContact CD2-CG2 4.06Å; W83-V87 HydrophobicContact CE3-CG2 4.24Å; W83-V87 HydrophobicContact CH2-CG2 4.01Å; W83-V87 HydrophobicContact CZ2-CG2 3.81Å; W83-V87 HydrophobicContact CZ3-CG2 4.21Å; W83-V87 PolarHBondContact O-N 3.3Å; W83-P94 HydrophobicContact CH2-CB 4.31Å; W83-W132 HydrophobicContact CE3-CH2 4.12Å; W83-W132 HydrophobicContact CE3-CZ3 4.16Å; W83-W132 AromaticContact CZ3-CH2 3.81Å; W83-W132 HydrophobicContact CZ3-CH2 3.81Å; W83-W132 AromaticContact CZ3-CZ3 3.92Å; W83-W132 HydrophobicContact CZ3-CZ3 3.92Å; W83-F227 HydrophobicContact CB-CE1 3.76Å; W83-F227 HydrophobicContact CB-CZ 4.22Å; W83-F227 HydrophobicContact CD2-CE1 4.42Å; W83-F227 HydrophobicContact CG-CE1 4.1Å; W83-F227 HydrophobicContact CG-CZ 4.45Å; W83-L228 HydrophobicContact CE3-CD2 3.91Å; W83-L228 HydrophobicContact CZ3-CD2 4.06Å; W83-K231 HydrophobicContact CH2-CG 4.35Å; W83-K231 HydrophobicContact CZ2-CG 4.44Å
84	Q	93.8	Very high	91.1	Very high	94 Å²	94	55.9 Å²	55.9	44%	0.439	30%	0.304	S	S	.	.	H	α-helix	trans	-61.4	-42.4	177.9	-71.7	-176.4	8.5	0	0	111.6	N80 D81 H88 V89	N80-Q84 WeakPolarHBondContact O-CG 3.43Å; N80-Q84 PolarHBondContact O-N 2.89Å; D81-Q84 PolarHBondContact O-N 2.9Å; Q84-H88 WeakPolarHBondContact O-CA 3.42Å; Q84-H88 VanDerWaalsContact O-CB 3.28Å; Q84-H88 WeakPolarHBondContact O-CB 3.39Å; Q84-H88 PolarHBondContact O-N 2.9Å; Q84-V89 PolarHBondContact O-N 3.33Å
85	L	93.7	Very high	90.9	Very high	29 Å²	29	53.5 Å²	53.5	15%	0.152	29%	0.292	C	S	.	.	I	π-helix	trans	-58.5	-52.2	175.1	179.2	77.1	0	0	0	111.8	L71 D81 I82 W83 V89 W90 L204	L71-L85 HydrophobicContact CB-CD2 4.5Å; L71-L85 HydrophobicContact CD2-CD1 4.13Å; L71-L85 HydrophobicContact CD2-CD2 3.32Å; L71-L85 HydrophobicContact CD2-CG 4.36Å; D81-L85 WeakPolarHBondContact O-CB 3.39Å; D81-L85 PolarHBondContact O-N 3.41Å; I82-L85 WeakPolarHBondContact O-CB 3.43Å; I82-L85 PolarHBondContact O-N 2.81Å; W83-L85 VanDerWaalsContact C-N 3.32Å; W83-L85 PolarHBondContact O-N 2.99Å; L85-V89 HydrophobicContact CD1-CB 4.13Å; L85-V89 HydrophobicContact CD1-CG1 4.21Å; L85-V89 HydrophobicContact CD1-CG2 4.46Å; L85-V89 WeakPolarHBondContact O-CB 3.48Å; L85-V89 PolarHBondContact O-N 2.84Å; L85-W90 HydrophobicContact CD1-CZ2 4.39Å; L85-W90 HydrophobicContact CD2-CH2 3.86Å; L85-W90 HydrophobicContact CD2-CZ2 3.87Å; L85-W90 HydrophobicContact CD2-CZ3 4.21Å; L85-W90 HydrophobicContact CG-CD2 4.24Å; L85-W90 HydrophobicContact CG-CH2 4.49Å; L85-W90 HydrophobicContact CG-CZ2 4.21Å; L85-W90 PolarHBondContact O-N 2.87Å; L85-L204 HydrophobicContact CD2-CD2 4.08Å
86	L	92.8	Very high	90.7	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.292	C	S	.	.	I	π-helix	trans	-63.4	-47.6	-175.6	-68.9	174.9	0	0	0	112.1	I82 W83 W90 G91 L92 W132 I160 F224	I82-L86 HydrophobicContact CG2-CD1 3.98Å; I82-L86 HydrophobicContact CG2-CG 4.3Å; I82-L86 VanDerWaalsContact O-CG 3.26Å; I82-L86 WeakPolarHBondContact O-CG 3.38Å; I82-L86 PolarHBondContact O-N 3.04Å; W83-L86 PolarHBondContact O-N 3.32Å; L86-W90 HydrophobicContact CD2-CE3 3.49Å; L86-W90 VanDerWaalsContact CD2-CE3 3.49Å; L86-W90 HydrophobicContact CD2-CZ3 3.49Å; L86-W90 VanDerWaalsContact CD2-CZ3 3.49Å; L86-G91 PolarHBondContact O-N 3.22Å; L86-L92 HydrophobicContact CB-CD1 4.22Å; L86-L92 HydrophobicContact CD2-CD1 3.91Å; L86-L92 WeakPolarHBondContact O-CB 3.34Å; L86-L92 WeakPolarHBondContact O-CG 3.2Å; L86-L92 PolarHBondContact O-N 3.46Å; L86-W132 HydrophobicContact CB-CH2 3.98Å; L86-W132 HydrophobicContact CD1-CE3 4.5Å; L86-W132 HydrophobicContact CD1-CH2 4.1Å; L86-W132 HydrophobicContact CD1-CZ3 3.81Å; L86-I160 HydrophobicContact CD1-CD1 3.94Å; L86-I160 HydrophobicContact CD2-CD1 4.31Å; L86-F224 HydrophobicContact CD1-CE1 4.17Å; L86-F224 HydrophobicContact CD1-CE2 4.47Å; L86-F224 HydrophobicContact CD1-CZ 3.59Å
87	V	90.2	Very high	90.7	Very high	28 Å²	28	49.5 Å²	49.5	17%	0.17	27%	0.269	C	S	.	.	I	π-helix	trans	-85.3	-48.3	-172.8	179	0	0	0	0	112.3	W83 G91 W132	W83-V87 HydrophobicContact CD2-CG2 4.06Å; W83-V87 HydrophobicContact CE3-CG2 4.24Å; W83-V87 HydrophobicContact CH2-CG2 4.01Å; W83-V87 HydrophobicContact CZ2-CG2 3.81Å; W83-V87 HydrophobicContact CZ3-CG2 4.21Å; W83-V87 PolarHBondContact O-N 3.3Å; V87-G91 VanDerWaalsContact O-CA 3.3Å; V87-G91 WeakPolarHBondContact O-CA 3.27Å; V87-G91 PolarHBondContact O-N 2.71Å; V87-W132 HydrophobicContact CG2-CH2 3.79Å; V87-W132 HydrophobicContact CG2-CZ2 4.11Å
88	H	91.5	Very high	90.8	Very high	140 Å²	140	48.5 Å²	48.5	65%	0.648	26%	0.261	S	S	*	.	I	π-helix	trans	-90.5	-38	-170.7	-58.4	80.2	0	0	0	112.5	Q84	Q84-H88 WeakPolarHBondContact O-CA 3.42Å; Q84-H88 VanDerWaalsContact O-CB 3.28Å; Q84-H88 WeakPolarHBondContact O-CB 3.39Å; Q84-H88 PolarHBondContact O-N 2.9Å
89	V	90.7	Very high	90.7	Very high	105 Å²	105	44.6 Å²	44.6	64%	0.636	24%	0.24	S	C	*	.	I	π-helix	trans	-89.3	-47.8	-176	-175.7	0	0	0	0	111.5	Q84 L85	Q84-V89 PolarHBondContact O-N 3.33Å; L85-V89 HydrophobicContact CD1-CB 4.13Å; L85-V89 HydrophobicContact CD1-CG1 4.21Å; L85-V89 HydrophobicContact CD1-CG2 4.46Å; L85-V89 WeakPolarHBondContact O-CB 3.48Å; L85-V89 PolarHBondContact O-N 2.84Å
90	W	90.9	Very high	90.6	Very high	60 Å²	60	43.6 Å²	43.6	23%	0.227	23%	0.233	C	C	.	.	S	Bend	trans	-86.6	-11.2	178.4	-69	-9.4	0	0	0	113.6	L71 L85 L86 L92 C202 L204	L71-W90 HydrophobicContact CB-CH2 4.31Å; L71-W90 HydrophobicContact CB-CZ2 4.06Å; L85-W90 HydrophobicContact CD1-CZ2 4.39Å; L85-W90 HydrophobicContact CD2-CH2 3.86Å; L85-W90 HydrophobicContact CD2-CZ2 3.87Å; L85-W90 HydrophobicContact CD2-CZ3 4.21Å; L85-W90 HydrophobicContact CG-CD2 4.24Å; L85-W90 HydrophobicContact CG-CH2 4.49Å; L85-W90 HydrophobicContact CG-CZ2 4.21Å; L85-W90 PolarHBondContact O-N 2.87Å; L86-W90 HydrophobicContact CD2-CE3 3.49Å; L86-W90 VanDerWaalsContact CD2-CE3 3.49Å; L86-W90 HydrophobicContact CD2-CZ3 3.49Å; L86-W90 VanDerWaalsContact CD2-CZ3 3.49Å; W90-L92 VanDerWaalsContact C-N 3.35Å; W90-L92 HydrophobicContact CB-CG 4.48Å; W90-L92 PolarHBondContact O-N 2.87Å; W90-C202 HydrophobicContact CD2-CB 4.48Å; W90-C202 HydrophobicContact CE3-CB 3.49Å; W90-C202 VanDerWaalsContact CE3-CB 3.49Å; W90-C202 HydrophobicContact CH2-CB 3.9Å; W90-C202 HydrophobicContact CZ3-CB 3.19Å; W90-C202 VanDerWaalsContact CZ3-SG 3.6Å; W90-L204 HydrophobicContact CH2-CD2 3.76Å; W90-L204 HydrophobicContact CZ3-CD2 3.99Å
91	G	87.4	Confident	90.4	Very high	59 Å²	59	41.2 Å²	41.2	61%	0.608	22%	0.221	S	C	*	.			trans	70.4	27.3	174	0	0	0	0	0	114.1	L86 V87	L86-G91 PolarHBondContact O-N 3.22Å; V87-G91 VanDerWaalsContact O-CA 3.3Å; V87-G91 WeakPolarHBondContact O-CA 3.27Å; V87-G91 PolarHBondContact O-N 2.71Å
92	L	87.1	Confident	90	Very high	30 Å²	30	37.5 Å²	37.5	16%	0.157	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-71.8	135.5	175.2	-61.4	179.4	0	0	0	110.4	L86 W90 W132 A158	L86-L92 HydrophobicContact CB-CD1 4.22Å; L86-L92 HydrophobicContact CD2-CD1 3.91Å; L86-L92 WeakPolarHBondContact O-CB 3.34Å; L86-L92 WeakPolarHBondContact O-CG 3.2Å; L86-L92 PolarHBondContact O-N 3.46Å; W90-L92 VanDerWaalsContact C-N 3.35Å; W90-L92 HydrophobicContact CB-CG 4.48Å; W90-L92 PolarHBondContact O-N 2.87Å; L92-W132 HydrophobicContact CB-CZ2 3.99Å; L92-A158 HydrophobicContact CD1-CB 4.38Å; L92-A158 HydrophobicContact CD2-CB 4.26Å
93	E	84.7	Confident	89	Confident	94 Å²	94	38.7 Å²	38.7	44%	0.439	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-61.6	133.4	173.4	-170.1	-178.9	171.4	0	0	109.7	W132	E93-W132 PolarHBondContact O-NE1 3.46Å
94	P	86.4	Confident	87.8	Confident	34 Å²	34	38 Å²	38	22%	0.221	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-59.3	132	176.5	24	-33.6	0	0	0	110.3	W83 S130	W83-P94 HydrophobicContact CH2-CB 4.31Å; P94-S130 PolarHBondContact O-OG 3.42Å
95	P	88.6	Confident	86.5	Confident	5 Å²	5	36.7 Å²	36.7	3%	0.032	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-77.4	144.8	-172.9	30.7	-31	0	0	0	110.5	V98 W132 M233 M240	P95-V98 HydrophobicContact CB-CG2 4.21Å; P95-V98 HydrophobicContact CG-CG2 3.86Å; P95-W132 HydrophobicContact CB-CB 3.99Å; P95-W132 HydrophobicContact CB-CD2 3.85Å; P95-W132 HydrophobicContact CB-CG 3.54Å; P95-W132 VanDerWaalsContact CD-CE2 3.42Å; P95-W132 HydrophobicContact CG-CB 4.24Å; P95-W132 HydrophobicContact CG-CD2 3.4Å; P95-W132 VanDerWaalsContact CG-CD2 3.4Å; P95-W132 HydrophobicContact CG-CE3 3.66Å; P95-W132 HydrophobicContact CG-CG 3.66Å; P95-W132 HydrophobicContact CG-CH2 4.41Å; P95-W132 HydrophobicContact CG-CZ2 4.22Å; P95-W132 HydrophobicContact CG-CZ3 4.15Å; P95-M233 VanDerWaalsContact O-SD 3.38Å; P95-M240 HydrophobicContact CG-SD 3.6Å
96	K	85.5	Confident	85.3	Confident	55 Å²	55	40.8 Å²	40.8	24%	0.239	25%	0.248	C	C	.	.	S	Bend	trans	-87.3	-14.9	166.4	-72.2	176.3	-176.4	177.9	0	113.3	S130 M233 P241 W360	K96-S130 WeakPolarHBondContact CG-OG 3.39Å; K96-S130 PolarHBondContact N-O 3.24Å; K96-S130 PolarHBondContact N-OG 3.18Å; K96-S130 VanDerWaalsContact N-OG 3.13Å; K96-M233 VanDerWaalsContact CA-CE 3.46Å; K96-M233 HydrophobicContact CB-CE 3.85Å; K96-M233 HydrophobicContact CG-CE 4.11Å; K96-M233 WeakPolarHBondContact O-CE 3.45Å; K96-P241 WeakPolarHBondContact O-CD 3.48Å; K96-P241 WeakPolarHBondContact O-CG 3.37Å; K96-W360 PolarHBondContact O-NE1 3.38Å
97	L	89.5	Confident	84.1	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	137.7	179.9	173.5	59.5	0	0	0	109.5	I99 V125 S130 V131 W132 P241 V243 L339 L342 W360	L97-I99 HydrophobicContact CD2-CD1 4.49Å; L97-I99 HydrophobicContact CD2-CG1 4.4Å; L97-I99 HydrophobicContact CG-CG1 4.26Å; L97-V125 HydrophobicContact CD2-CG1 3.61Å; L97-S130 PolarHBondContact N-O 2.89Å; L97-V131 HydrophobicContact CB-CG2 4.01Å; L97-V131 HydrophobicContact CD2-CG2 4.26Å; L97-V131 HydrophobicContact CG-CG2 4.4Å; L97-V131 VanDerWaalsContact O-CA 3.31Å; L97-V131 WeakPolarHBondContact O-CA 3.28Å; L97-W132 PolarHBondContact O-N 2.88Å; L97-P241 HydrophobicContact CD1-CB 4.16Å; L97-P241 HydrophobicContact CD1-CG 4.13Å; L97-V243 HydrophobicContact CD1-CG1 4.49Å; L97-L339 HydrophobicContact CD2-CD2 4.2Å; L97-L342 HydrophobicContact CD1-CD1 3.39Å; L97-L342 HydrophobicContact CD1-CD2 4.45Å; L97-L342 HydrophobicContact CD2-CD1 4.36Å; L97-W360 HydrophobicContact CD1-CZ2 4.33Å
98	V	91.9	Very high	83.2	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	125.7	173.6	-176.3	0	0	0	0	109.8	P95 T100 W132 I134 L228 M240 P241 I242 V243	P95-V98 HydrophobicContact CB-CG2 4.21Å; P95-V98 HydrophobicContact CG-CG2 3.86Å; V98-T100 HydrophobicContact CG1-CG2 4.17Å; V98-W132 CarbonylContact C-O 3.39Å; V98-W132 WeakPolarHBondContact CA-O 3.28Å; V98-W132 HydrophobicContact CG2-CB 4.4Å; V98-I134 HydrophobicContact CG1-CD1 3.77Å; V98-I134 HydrophobicContact CG1-CG1 4.14Å; V98-L228 HydrophobicContact CG1-CD1 4.24Å; V98-L228 HydrophobicContact CG2-CD1 4.41Å; V98-M240 HydrophobicContact CG2-CE 3.53Å; V98-M240 HydrophobicContact CG2-CG 4.26Å; V98-M240 HydrophobicContact CG2-SD 3.68Å; V98-P241 PolarHBondContact N-O 2.72Å; V98-I242 HydrophobicContact CB-CG1 4.13Å; V98-I242 HydrophobicContact CB-CG2 4.36Å; V98-I242 HydrophobicContact CG1-CG2 4.4Å; V98-I242 WeakPolarHBondContact O-CA 3.34Å; V98-V243 PolarHBondContact O-N 3.17Å
99	I	91.7	Very high	82.1	Confident	2 Å²	2	44.5 Å²	44.5	1%	0.01	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	114.7	175.8	-55.6	177.2	0	0	0	107.7	L97 I101 L122 V125 V131 W132 V133 I134 V243 L245 I338	L97-I99 HydrophobicContact CD2-CD1 4.49Å; L97-I99 HydrophobicContact CD2-CG1 4.4Å; L97-I99 HydrophobicContact CG-CG1 4.26Å; I99-I101 HydrophobicContact CG2-CG1 4.21Å; I99-L122 HydrophobicContact CD1-CD2 3.76Å; I99-L122 HydrophobicContact CG2-CD2 4.37Å; I99-V125 HydrophobicContact CD1-CG1 4.38Å; I99-V131 HydrophobicContact CD1-CG1 3.79Å; I99-V131 HydrophobicContact CG1-CG1 3.89Å; I99-W132 PolarHBondContact N-O 3.38Å; I99-V133 HydrophobicContact CB-CG2 4.31Å; I99-V133 CarbonylContact O-C 3.59Å; I99-V133 VanDerWaalsContact O-CA 3.28Å; I99-V133 WeakPolarHBondContact O-CA 3.49Å; I99-I134 PolarHBondContact O-N 2.89Å; I99-V243 HydrophobicContact CB-CG1 4.15Å; I99-V243 HydrophobicContact CG1-CG1 3.76Å; I99-V243 HydrophobicContact CG2-CG1 4.16Å; I99-L245 HydrophobicContact CG2-CB 4.44Å; I99-L245 HydrophobicContact CG2-CD2 4.42Å; I99-I338 HydrophobicContact CD1-CD1 4.45Å
100	T	91.4	Very high	81.4	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.006	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	129.7	175.6	65.5	0	0	0	0	107.9	V98 I134 E225 I242 V243 L244 L245	V98-T100 HydrophobicContact CG1-CG2 4.17Å; T100-I134 HydrophobicContact CG2-CB 4.29Å; T100-I134 HydrophobicContact CG2-CD1 4.31Å; T100-E225 VanDerWaalsContact CB-OE1 3.31Å; T100-E225 WeakPolarHBondContact CB-OE1 3.41Å; T100-E225 HydrophobicContact CG2-CG 3.81Å; T100-E225 WeakPolarHBondContact CG2-OE1 3.2Å; T100-I242 HydrophobicContact CG2-CG2 3.84Å; T100-V243 PolarHBondContact N-O 3.23Å; T100-V243 PolarHBondContact OG1-O 2.83Å; T100-L244 WeakPolarHBondContact O-CD1 3.3Å; T100-L244 WeakPolarHBondContact OG1-CA 3.19Å; T100-L244 WeakPolarHBondContact OG1-CD1 3.3Å; T100-L245 PolarHBondContact O-N 2.63Å
101	I	89	Confident	80.9	Confident	6 Å²	6	39.9 Å²	39.9	3%	0.031	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	117.7	179.1	-56.4	174.7	0	0	0	108.2	I99 F118 L122 V133 I134 T135 R221 L245 L247	I99-I101 HydrophobicContact CG2-CG1 4.21Å; I101-F118 HydrophobicContact CD1-CZ 4.06Å; I101-L122 HydrophobicContact CD1-CD1 4.3Å; I101-V133 HydrophobicContact CD1-CG1 3.52Å; I101-V133 HydrophobicContact CG1-CG1 4.11Å; I101-I134 PolarHBondContact N-O 3.14Å; I101-T135 HydrophobicContact CB-CG2 4.32Å; I101-T135 HydrophobicContact CD1-CG2 4.17Å; I101-R221 PolarHBondContact O-NH1 3.42Å; I101-R221 VanDerWaalsContact O-NH1 3.08Å; I101-R221 PolarHBondContact O-NH2 3.02Å; I101-L245 WeakPolarHBondContact CA-O 3.3Å; I101-L245 HydrophobicContact CG1-CB 4.31Å; I101-L245 HydrophobicContact CG1-CD2 4.4Å; I101-L247 HydrophobicContact CG2-CD1 3.6Å
102	Y	85.3	Confident	80.6	Confident	15 Å²	15	42.2 Å²	42.2	6%	0.059	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	118.8	168.5	-77.7	-65	0	0	0	109.2	R221 E225 L244 L245 L247	Y102-R221 PolarHBondContact OH-NE 2.9Å; Y102-E225 PolarHBondContact OH-OE1 3.24Å; Y102-E225 PolarHBondContact OH-OE2 3.26Å; Y102-L244 HydrophobicContact CD2-CD1 3.12Å; Y102-L244 HydrophobicContact CD2-CD2 3.82Å; Y102-L244 HydrophobicContact CD2-CG 4.11Å; Y102-L244 HydrophobicContact CE2-CD1 3.7Å; Y102-L244 HydrophobicContact CE2-CD2 4.18Å; Y102-L244 HydrophobicContact CG-CD1 4.04Å; Y102-L245 PolarHBondContact N-O 2.66Å; Y102-L247 PolarHBondContact O-N 3.38Å; Y102-L247 VanDerWaalsContact O-N 3.14Å
103	G	75.1	Confident	80.3	Confident	30 Å²	30	43.5 Å²	43.5	31%	0.309	27%	0.27	S	S	.	.			trans	-113.1	172	174.7	0	0	0	0	0	112.1	L247	G103-L247 WeakPolarHBondContact CA-O 2.97Å
104	G	66.9	Low	80.3	Confident	10 Å²	10	39 Å²	39	10%	0.103	25%	0.249	C	C	.	.			trans	-74.1	143.9	168.7	0	0	0	0	0	110.9	N106	G104-N106 PolarHBondContact O-N 2.82Å; G104-N106 VanDerWaalsContact O-N 3.15Å
105	G	65.8	Low	80	Confident	68 Å²	68	39.1 Å²	39.1	70%	0.701	25%	0.245	S	C	*	.	S	Bend	trans	-72.2	5.6	171.2	0	0	0	0	0	114.6	V140	G105-V140 WeakPolarHBondContact O-CG1 3.4Å
106	N	69.2	Low	79.7	Confident	115 Å²	115	42.9 Å²	42.9	62%	0.615	26%	0.262	S	S	*	.	S	Bend	trans	-122.8	146.4	177.4	-66.8	-13	0	0	0	109.8	G104 F108 R277	G104-N106 PolarHBondContact O-N 2.82Å; G104-N106 VanDerWaalsContact O-N 3.15Å; N106-F108 PolarHBondContact O-N 3.35Å; N106-R277 PolarHBondContact O-NH1 2.8Å
107	D	67.6	Low	79.5	Confident	86 Å²	86	42.7 Å²	42.7	46%	0.46	26%	0.262	S	S	.	.			trans	-55.1	130.9	-176.8	-71.6	-38.5	0	0	0	110.1	V140 G141 R277	D107-V140 HydrophobicContact CB-CG1 4.44Å; D107-V140 VanDerWaalsContact OD1-CA 3.27Å; D107-V140 WeakPolarHBondContact OD1-CA 3.41Å; D107-V140 WeakPolarHBondContact OD1-CG1 3.41Å; D107-G141 PolarHBondContact OD1-N 2.84Å; D107-R277 PolarHBondContact O-NH2 3.27Å
108	F	72.1	Confident	79.3	Confident	16 Å²	16	42.7 Å²	42.7	7%	0.07	26%	0.262	C	S	.	.			trans	-137.2	138.7	170.8	68	-82.6	0	0	0	108.3	N106 L110 L143 L247	N106-F108 PolarHBondContact O-N 3.35Å; F108-L110 HydrophobicContact CD2-CD2 4.38Å; F108-L110 HydrophobicContact CD2-CG 4.26Å; F108-L110 HydrophobicContact CE2-CD1 4.22Å; F108-L110 HydrophobicContact CE2-CD2 4.03Å; F108-L110 HydrophobicContact CE2-CG 3.94Å; F108-L143 HydrophobicContact CE1-CD1 4.03Å; F108-L143 HydrophobicContact CE2-CD1 4.43Å; F108-L143 HydrophobicContact CZ-CD1 3.48Å; F108-L143 VanDerWaalsContact CZ-CD1 3.48Å; F108-L143 HydrophobicContact CZ-CG 4.38Å; F108-L247 HydrophobicContact CE2-CB 4.26Å; F108-L247 HydrophobicContact CZ-CB 4.02Å; F108-L247 WeakPolarHBondContact CZ-O 3.08Å
109	D	68.6	Low	78.7	Confident	143 Å²	143	44.6 Å²	44.6	77%	0.765	27%	0.269	S	S	*	.	P	Polyproline II helix	trans	-100.3	123.4	-178.7	-61.4	-31.4	0	0	0	108.5
110	L	75.1	Confident	78.3	Confident	26 Å²	26	47 Å²	47	14%	0.136	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-82.3	147.8	169	-69	165.7	0	0	0	108.6	F108 L114 W115 L143	F108-L110 HydrophobicContact CD2-CD2 4.38Å; F108-L110 HydrophobicContact CD2-CG 4.26Å; F108-L110 HydrophobicContact CE2-CD1 4.22Å; F108-L110 HydrophobicContact CE2-CD2 4.03Å; F108-L110 HydrophobicContact CE2-CG 3.94Å; L110-L114 HydrophobicContact CD2-CD2 3.77Å; L110-L114 HydrophobicContact CD2-CG 4.43Å; L110-W115 HydrophobicContact CB-CB 4.4Å; L110-W115 HydrophobicContact CD1-CE3 3.63Å; L110-W115 HydrophobicContact CD1-CZ3 4.04Å; L110-L143 HydrophobicContact CD1-CD2 4.38Å
111	S	80.8	Confident	78	Confident	43 Å²	43	47 Å²	47	30%	0.301	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-60.1	143.5	171.9	69.4	0	0	0	0	109.6	A113 L114 W115	S111-A113 PolarHBondContact O-N 3.14Å; S111-A113 VanDerWaalsContact O-N 3.16Å; S111-L114 PolarHBondContact O-N 3.39Å; S111-L114 VanDerWaalsContact O-N 3.09Å; S111-L114 WeakPolarHBondContact OG-CB 3.01Å; S111-L114 PolarHBondContact OG-N 3.35Å; S111-W115 WeakPolarHBondContact O-CB 3.02Å; S111-W115 PolarHBondContact O-N 3.47Å
112	P	80.1	Confident	77.7	Confident	107 Å²	107	47.2 Å²	47.2	70%	0.695	28%	0.284	S	S	*	.	H	α-helix	trans	-56.2	-35.8	-177.6	-27.7	34.5	0	0	0	113.3	W115 Q116	P112-W115 PolarHBondContact O-N 3Å; P112-Q116 VanDerWaalsContact O-CG 3.26Å; P112-Q116 WeakPolarHBondContact O-CG 3.31Å; P112-Q116 PolarHBondContact O-N 2.98Å
113	A	82.4	Confident	77.6	Confident	57 Å²	57	48.3 Å²	48.3	47%	0.471	29%	0.29	S	S	.	.	H	α-helix	trans	-64.6	-50.1	175.9	0	0	0	0	0	111.9	S111 W115 Q116 E117 L325	S111-A113 PolarHBondContact O-N 3.14Å; S111-A113 VanDerWaalsContact O-N 3.16Å; A113-W115 VanDerWaalsContact C-N 3.27Å; A113-W115 PolarHBondContact O-N 3.05Å; A113-Q116 PolarHBondContact O-N 3.29Å; A113-E117 PolarHBondContact O-N 3.2Å; A113-L325 HydrophobicContact CB-CD2 4.1Å
114	L	83.6	Confident	78.1	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-62.1	-37.7	177.2	-177.1	60.6	0	0	0	111.4	L110 S111 F118 N274 F322 L325	L110-L114 HydrophobicContact CD2-CD2 3.77Å; L110-L114 HydrophobicContact CD2-CG 4.43Å; S111-L114 PolarHBondContact O-N 3.39Å; S111-L114 VanDerWaalsContact O-N 3.09Å; S111-L114 WeakPolarHBondContact OG-CB 3.01Å; S111-L114 PolarHBondContact OG-N 3.35Å; L114-F118 WeakPolarHBondContact O-CB 3.16Å; L114-F118 PolarHBondContact O-N 3.31Å; L114-N274 HydrophobicContact CD2-CB 4.48Å; L114-F322 HydrophobicContact CD1-CE1 4.06Å; L114-L325 HydrophobicContact CB-CD2 4.35Å
115	W	80.4	Confident	78.9	Confident	36 Å²	36	50.4 Å²	50.4	14%	0.136	29%	0.286	C	S	.	.	H	α-helix	trans	-62.7	-45.4	175.8	-179	-112.7	0	0	0	112.5	L110 S111 P112 A113 F118 R119 Q142 L143	L110-W115 HydrophobicContact CB-CB 4.4Å; L110-W115 HydrophobicContact CD1-CE3 3.63Å; L110-W115 HydrophobicContact CD1-CZ3 4.04Å; S111-W115 WeakPolarHBondContact O-CB 3.02Å; S111-W115 PolarHBondContact O-N 3.47Å; P112-W115 PolarHBondContact O-N 3Å; A113-W115 VanDerWaalsContact C-N 3.27Å; A113-W115 PolarHBondContact O-N 3.05Å; W115-F118 HydrophobicContact CE3-CD1 4.37Å; W115-F118 HydrophobicContact CH2-CD1 4.25Å; W115-F118 AromaticContact CZ3-CD1 3.75Å; W115-F118 HydrophobicContact CZ3-CD1 3.75Å; W115-F118 HydrophobicContact CZ3-CE1 4.21Å; W115-F118 PolarHBondContact O-N 3.33Å; W115-R119 VanDerWaalsContact O-CB 3.31Å; W115-R119 WeakPolarHBondContact O-CB 3.44Å; W115-R119 PolarHBondContact O-N 3.31Å; W115-Q142 WeakPolarHBondContact CH2-O 3.35Å; W115-Q142 VanDerWaalsContact CZ3-O 3.28Å; W115-Q142 WeakPolarHBondContact CZ3-O 3.39Å; W115-L143 HydrophobicContact CH2-CD2 4.25Å; W115-L143 HydrophobicContact CZ3-CD2 3.65Å; W115-L143 HydrophobicContact CZ3-CG 4.31Å
116	Q	81.3	Confident	79.7	Confident	84 Å²	84	47.2 Å²	47.2	39%	0.393	25%	0.253	S	S	.	.	H	α-helix	trans	-64.9	-45	177.7	-71.8	-64.1	-25	0	0	111.7	P112 A113 F118 R119 N120	P112-Q116 VanDerWaalsContact O-CG 3.26Å; P112-Q116 WeakPolarHBondContact O-CG 3.31Å; P112-Q116 PolarHBondContact O-N 2.98Å; A113-Q116 PolarHBondContact O-N 3.29Å; Q116-F118 VanDerWaalsContact C-N 3.33Å; Q116-F118 PolarHBondContact O-N 3.15Å; Q116-R119 PolarHBondContact O-N 3.21Å; Q116-N120 VanDerWaalsContact O-CB 3.29Å; Q116-N120 WeakPolarHBondContact O-CB 3.22Å; Q116-N120 PolarHBondContact O-N 3.33Å; Q116-N120 PolarHBondContact O-ND2 2.05Å
117	E	82.6	Confident	80.3	Confident	50 Å²	50	46 Å²	46	23%	0.234	25%	0.246	C	C	.	.	H	α-helix	trans	-62.4	-41.8	175.8	-74.8	-53.7	131.1	0	0	111.9	A113 N120 G121	A113-E117 PolarHBondContact O-N 3.2Å; E117-N120 PolarHBondContact O-N 2.82Å; E117-G121 PolarHBondContact O-N 3.13Å
118	F	83.9	Confident	80.8	Confident	1 Å²	1	44.6 Å²	44.6	0%	0.004	24%	0.239	C	C	.	.	H	α-helix	trans	-61.5	-48.7	176.5	-176.9	-91.2	0	0	0	112.4	I101 L114 W115 Q116 G121 L122 L143 L245 L247 L334	I101-F118 HydrophobicContact CD1-CZ 4.06Å; L114-F118 WeakPolarHBondContact O-CB 3.16Å; L114-F118 PolarHBondContact O-N 3.31Å; W115-F118 HydrophobicContact CE3-CD1 4.37Å; W115-F118 HydrophobicContact CH2-CD1 4.25Å; W115-F118 AromaticContact CZ3-CD1 3.75Å; W115-F118 HydrophobicContact CZ3-CD1 3.75Å; W115-F118 HydrophobicContact CZ3-CE1 4.21Å; W115-F118 PolarHBondContact O-N 3.33Å; Q116-F118 VanDerWaalsContact C-N 3.33Å; Q116-F118 PolarHBondContact O-N 3.15Å; F118-G121 PolarHBondContact O-N 2.87Å; F118-L122 HydrophobicContact CD1-CD1 4.08Å; F118-L122 HydrophobicContact CE1-CD1 3.37Å; F118-L122 HydrophobicContact CE1-CG 4.24Å; F118-L122 HydrophobicContact CZ-CD1 3.71Å; F118-L122 HydrophobicContact CZ-CG 4.38Å; F118-L122 PolarHBondContact O-N 3.07Å; F118-L122 VanDerWaalsContact O-N 3.12Å; F118-L143 HydrophobicContact CD1-CD2 4.42Å; F118-L143 HydrophobicContact CE1-CD2 3.77Å; F118-L143 HydrophobicContact CZ-CD2 4.09Å; F118-L245 HydrophobicContact CD2-CD2 4.33Å; F118-L245 HydrophobicContact CE2-CD1 4.5Å; F118-L245 HydrophobicContact CE2-CD2 3.22Å; F118-L245 HydrophobicContact CE2-CG 3.93Å; F118-L245 HydrophobicContact CZ-CD2 3.58Å; F118-L245 HydrophobicContact CZ-CG 4.48Å; F118-L247 HydrophobicContact CD2-CD1 4.18Å; F118-L247 HydrophobicContact CD2-CD2 3.92Å; F118-L247 HydrophobicContact CE1-CD1 4.06Å; F118-L247 HydrophobicContact CE2-CD1 3.24Å; F118-L247 HydrophobicContact CE2-CD2 3.63Å; F118-L247 HydrophobicContact CE2-CG 3.93Å; F118-L247 HydrophobicContact CZ-CD1 3.2Å; F118-L247 HydrophobicContact CZ-CD2 4.43Å; F118-L247 HydrophobicContact CZ-CG 4.34Å; F118-L334 HydrophobicContact CB-CD2 4.35Å; F118-L334 HydrophobicContact CD2-CD2 3.59Å; F118-L334 HydrophobicContact CE2-CD2 4.09Å; F118-L334 HydrophobicContact CG-CD2 4.1Å
119	R	79.4	Confident	81.1	Confident	40 Å²	40	44 Å²	44	15%	0.151	24%	0.237	C	C	.	.	H	α-helix	trans	-59.7	-50.1	177.1	177.1	-178.4	169.4	-170.5	-3.5	111.2	W115 Q116 G121 L122 L123 D147	W115-R119 VanDerWaalsContact O-CB 3.31Å; W115-R119 WeakPolarHBondContact O-CB 3.44Å; W115-R119 PolarHBondContact O-N 3.31Å; Q116-R119 PolarHBondContact O-N 3.21Å; R119-G121 VanDerWaalsContact C-N 3.33Å; R119-G121 PolarHBondContact O-N 3Å; R119-L122 PolarHBondContact O-N 3.09Å; R119-L123 HydrophobicContact CG-CD1 4.04Å; R119-L123 WeakPolarHBondContact O-CG 3.39Å; R119-L123 PolarHBondContact O-N 2.92Å; R119-L123 VanDerWaalsContact O-N 3.07Å; R119-D147 IonicContact CZ-OD2 3.05Å; R119-D147 IonicContact NH1-OD2 3.62Å; R119-D147 PolarHBondContact NH1-OD2 3.02Å; R119-D147 PolarHBondContact NH2-O 2.95Å; R119-D147 IonicContact NH2-OD2 3.68Å
120	N	83.3	Confident	81.9	Confident	53 Å²	53	37.5 Å²	37.5	28%	0.283	20%	0.203	S	C	.	.	H	α-helix	trans	-64.1	-39.8	-178.7	-70.7	-24.7	0	0	0	111.5	Q116 E117 L123 R124	Q116-N120 VanDerWaalsContact O-CB 3.29Å; Q116-N120 WeakPolarHBondContact O-CB 3.22Å; Q116-N120 PolarHBondContact O-N 3.33Å; Q116-N120 PolarHBondContact O-ND2 2.05Å; E117-N120 PolarHBondContact O-N 2.82Å; N120-L123 PolarHBondContact O-N 2.84Å; N120-R124 WeakPolarHBondContact O-CB 3.17Å; N120-R124 VanDerWaalsContact O-CG 3.23Å; N120-R124 WeakPolarHBondContact O-CG 3.43Å; N120-R124 PolarHBondContact O-N 3.42Å
121	G	84.9	Confident	82.6	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.01	20%	0.196	C	C	.	.	H	α-helix	trans	-58.6	-49.5	175.4	0	0	0	0	0	112.7	E117 F118 R119 L123 R124 V125	E117-G121 PolarHBondContact O-N 3.13Å; F118-G121 PolarHBondContact O-N 2.87Å; R119-G121 VanDerWaalsContact C-N 3.33Å; R119-G121 PolarHBondContact O-N 3Å; G121-L123 PolarHBondContact O-N 2.85Å; G121-R124 PolarHBondContact O-N 3.3Å; G121-V125 WeakPolarHBondContact O-CG2 3.45Å; G121-V125 PolarHBondContact O-N 3.28Å
122	L	84.5	Confident	83.2	Confident	10 Å²	10	34.5 Å²	34.5	5%	0.052	18%	0.183	C	C	.	.	H	α-helix	trans	-62.8	-41.5	177.3	-70.1	-179.9	0	0	0	112.5	I99 I101 F118 R119 V125 A126 I338	I99-L122 HydrophobicContact CD1-CD2 3.76Å; I99-L122 HydrophobicContact CG2-CD2 4.37Å; I101-L122 HydrophobicContact CD1-CD1 4.3Å; F118-L122 HydrophobicContact CD1-CD1 4.08Å; F118-L122 HydrophobicContact CE1-CD1 3.37Å; F118-L122 HydrophobicContact CE1-CG 4.24Å; F118-L122 HydrophobicContact CZ-CD1 3.71Å; F118-L122 HydrophobicContact CZ-CG 4.38Å; F118-L122 PolarHBondContact O-N 3.07Å; F118-L122 VanDerWaalsContact O-N 3.12Å; R119-L122 PolarHBondContact O-N 3.09Å; L122-V125 PolarHBondContact O-N 2.91Å; L122-A126 WeakPolarHBondContact O-CB 3.49Å; L122-A126 PolarHBondContact O-N 3.17Å; L122-I338 HydrophobicContact CD2-CD1 4.36Å
123	L	82.4	Confident	83.7	Confident	37 Å²	37	29.4 Å²	29.4	19%	0.194	15%	0.15	C	C	.	.	H	α-helix	trans	-65	-38.2	177.2	-71.2	172.9	0	0	0	112.2	R119 N120 G121 V125 A126 N127 V153	R119-L123 HydrophobicContact CG-CD1 4.04Å; R119-L123 WeakPolarHBondContact O-CG 3.39Å; R119-L123 PolarHBondContact O-N 2.92Å; R119-L123 VanDerWaalsContact O-N 3.07Å; N120-L123 PolarHBondContact O-N 2.84Å; G121-L123 PolarHBondContact O-N 2.85Å; L123-V125 VanDerWaalsContact C-N 3.33Å; L123-V125 PolarHBondContact O-N 2.9Å; L123-A126 PolarHBondContact O-N 2.89Å; L123-N127 VanDerWaalsContact O-CG 3.22Å; L123-N127 PolarHBondContact O-N 3.42Å; L123-N127 PolarHBondContact O-OD1 3.28Å; L123-V153 HydrophobicContact CD2-CG1 4.03Å
124	R	84.6	Confident	84.1	Confident	80 Å²	80	26.7 Å²	26.7	30%	0.302	13%	0.127	S	C	.	.	H	α-helix	trans	-62.4	-39.4	175.7	-75	173.2	-165.4	167	9.8	112.3	N120 G121 D335	N120-R124 WeakPolarHBondContact O-CB 3.17Å; N120-R124 VanDerWaalsContact O-CG 3.23Å; N120-R124 WeakPolarHBondContact O-CG 3.43Å; N120-R124 PolarHBondContact O-N 3.42Å; G121-R124 PolarHBondContact O-N 3.3Å; R124-D335 HydrophobicContact CB-CB 4.28Å
125	V	84.6	Confident	84.4	Confident	5 Å²	5	27.2 Å²	27.2	3%	0.03	13%	0.131	C	C	.	.	H	α-helix	trans	-65.6	-43.5	174.3	-179.4	0	0	0	0	110.9	L97 I99 G121 L122 L123 N127 N128 T129 V131 D335	L97-V125 HydrophobicContact CD2-CG1 3.61Å; I99-V125 HydrophobicContact CD1-CG1 4.38Å; G121-V125 WeakPolarHBondContact O-CG2 3.45Å; G121-V125 PolarHBondContact O-N 3.28Å; L122-V125 PolarHBondContact O-N 2.91Å; L123-V125 VanDerWaalsContact C-N 3.33Å; L123-V125 PolarHBondContact O-N 2.9Å; V125-N127 PolarHBondContact O-N 2.61Å; V125-N128 PolarHBondContact O-N 3.43Å; V125-T129 PolarHBondContact O-N 3.14Å; V125-T129 PolarHBondContact O-OG1 2.84Å; V125-V131 HydrophobicContact CG1-CG2 3.73Å; V125-D335 HydrophobicContact CG2-CB 3.51Å
126	A	82.8	Confident	84.6	Confident	1 Å²	1	27.8 Å²	27.8	1%	0.008	14%	0.14	C	C	.	.	H	α-helix	trans	-67.3	-31.9	-179.1	0	0	0	0	0	114.2	L122 L123 N128 T129 V153 F157	L122-A126 WeakPolarHBondContact O-CB 3.49Å; L122-A126 PolarHBondContact O-N 3.17Å; L123-A126 PolarHBondContact O-N 2.89Å; A126-N128 VanDerWaalsContact C-N 3.27Å; A126-N128 PolarHBondContact O-N 2.8Å; A126-T129 VanDerWaalsContact O-O 3.04Å; A126-V153 HydrophobicContact CB-CG1 4.46Å; A126-F157 HydrophobicContact CB-CB 4.13Å; A126-F157 HydrophobicContact CB-CD2 3.49Å; A126-F157 VanDerWaalsContact CB-CD2 3.49Å; A126-F157 HydrophobicContact CB-CE2 4.26Å; A126-F157 HydrophobicContact CB-CG 4.16Å
127	N	81.2	Confident	84.7	Confident	88 Å²	88	23.9 Å²	23.9	47%	0.471	12%	0.122	S	C	.	.	H	α-helix	trans	-64.6	-32.3	179.2	-78.2	-9.7	0	0	0	112.6	L123 V125	L123-N127 VanDerWaalsContact O-CG 3.22Å; L123-N127 PolarHBondContact O-N 3.42Å; L123-N127 PolarHBondContact O-OD1 3.28Å; V125-N127 PolarHBondContact O-N 2.61Å
128	N	78.3	Confident	84.6	Confident	57 Å²	57	22.8 Å²	22.8	31%	0.305	12%	0.118	S	C	.	.	H	α-helix	trans	-94.4	-27.6	-175.9	-69.1	-30.5	0	0	0	113.4	V125 A126	V125-N128 PolarHBondContact O-N 3.43Å; A126-N128 VanDerWaalsContact C-N 3.27Å; A126-N128 PolarHBondContact O-N 2.8Å
129	T	79.4	Confident	84.2	Confident	4 Å²	4	26.5 Å²	26.5	3%	0.025	13%	0.132	C	C	.	.	S	Bend	trans	-141.4	151.2	-166.2	63.7	0	0	0	0	112.6	V125 A126 V131 W360	V125-T129 PolarHBondContact O-N 3.14Å; V125-T129 PolarHBondContact O-OG1 2.84Å; A126-T129 VanDerWaalsContact O-O 3.04Å; T129-V131 PolarHBondContact O-N 2.79Å; T129-V131 WeakPolarHBondContact OG1-CG2 3.39Å; T129-W360 HydrophobicContact CG2-CB 3.7Å; T129-W360 HydrophobicContact CG2-CG 4.13Å; T129-W360 WeakPolarHBondContact CG2-O 3.36Å
130	S	85.4	Confident	83.2	Confident	7 Å²	7	25.7 Å²	25.7	5%	0.049	13%	0.131	C	C	.	.			trans	-71.6	116.4	169.7	58.4	0	0	0	0	109.3	P94 K96 L97 N156	P94-S130 PolarHBondContact O-OG 3.42Å; K96-S130 WeakPolarHBondContact CG-OG 3.39Å; K96-S130 PolarHBondContact N-O 3.24Å; K96-S130 PolarHBondContact N-OG 3.18Å; K96-S130 VanDerWaalsContact N-OG 3.13Å; L97-S130 PolarHBondContact N-O 2.89Å; S130-N156 CarbonylContact C-O 3.55Å; S130-N156 VanDerWaalsContact CA-O 3.28Å; S130-N156 WeakPolarHBondContact CA-O 3.49Å
131	V	89.5	Confident	81.8	Confident	1 Å²	1	23.6 Å²	23.6	1%	0.006	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	133.3	-175.2	179.3	0	0	0	0	110.8	L97 I99 V125 T129 V133 N156 A158	L97-V131 HydrophobicContact CB-CG2 4.01Å; L97-V131 HydrophobicContact CD2-CG2 4.26Å; L97-V131 HydrophobicContact CG-CG2 4.4Å; L97-V131 VanDerWaalsContact O-CA 3.31Å; L97-V131 WeakPolarHBondContact O-CA 3.28Å; I99-V131 HydrophobicContact CD1-CG1 3.79Å; I99-V131 HydrophobicContact CG1-CG1 3.89Å; V125-V131 HydrophobicContact CG1-CG2 3.73Å; T129-V131 PolarHBondContact O-N 2.79Å; T129-V131 WeakPolarHBondContact OG1-CG2 3.39Å; V131-V133 HydrophobicContact CG1-CG2 4.05Å; V131-N156 PolarHBondContact N-O 3.32Å; V131-A158 PolarHBondContact O-N 3.08Å; V131-A158 VanDerWaalsContact O-N 3.08Å
132	W	92.1	Very high	80.3	Confident	4 Å²	4	31.1 Å²	31.1	2%	0.015	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	127.8	167.1	-71.8	7.3	0	0	0	109.8	W83 L86 V87 L92 E93 P95 L97 V98 I99 A158 I160	W83-W132 HydrophobicContact CE3-CH2 4.12Å; W83-W132 HydrophobicContact CE3-CZ3 4.16Å; W83-W132 AromaticContact CZ3-CH2 3.81Å; W83-W132 HydrophobicContact CZ3-CH2 3.81Å; W83-W132 AromaticContact CZ3-CZ3 3.92Å; W83-W132 HydrophobicContact CZ3-CZ3 3.92Å; L86-W132 HydrophobicContact CB-CH2 3.98Å; L86-W132 HydrophobicContact CD1-CE3 4.5Å; L86-W132 HydrophobicContact CD1-CH2 4.1Å; L86-W132 HydrophobicContact CD1-CZ3 3.81Å; V87-W132 HydrophobicContact CG2-CH2 3.79Å; V87-W132 HydrophobicContact CG2-CZ2 4.11Å; L92-W132 HydrophobicContact CB-CZ2 3.99Å; E93-W132 PolarHBondContact O-NE1 3.46Å; P95-W132 HydrophobicContact CB-CB 3.99Å; P95-W132 HydrophobicContact CB-CD2 3.85Å; P95-W132 HydrophobicContact CB-CG 3.54Å; P95-W132 VanDerWaalsContact CD-CE2 3.42Å; P95-W132 HydrophobicContact CG-CB 4.24Å; P95-W132 HydrophobicContact CG-CD2 3.4Å; P95-W132 VanDerWaalsContact CG-CD2 3.4Å; P95-W132 HydrophobicContact CG-CE3 3.66Å; P95-W132 HydrophobicContact CG-CG 3.66Å; P95-W132 HydrophobicContact CG-CH2 4.41Å; P95-W132 HydrophobicContact CG-CZ2 4.22Å; P95-W132 HydrophobicContact CG-CZ3 4.15Å; L97-W132 PolarHBondContact O-N 2.88Å; V98-W132 CarbonylContact C-O 3.39Å; V98-W132 WeakPolarHBondContact CA-O 3.28Å; V98-W132 HydrophobicContact CG2-CB 4.4Å; I99-W132 PolarHBondContact N-O 3.38Å; W132-A158 WeakPolarHBondContact CA-O 3.47Å; W132-A158 HydrophobicContact CG-CB 4.3Å; W132-I160 HydrophobicContact CB-CD1 4.39Å; W132-I160 HydrophobicContact CD2-CD1 3.93Å; W132-I160 HydrophobicContact CE3-CD1 3.77Å; W132-I160 HydrophobicContact CG-CD1 4.24Å; W132-I160 HydrophobicContact CZ3-CD1 4.41Å
133	V	90.9	Very high	78.7	Confident	0 Å²	0	32 Å²	32	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	113.3	175.5	-177	0	0	0	0	108.9	I99 I101 V131 T135 F157 A158 L159 I160	I99-V133 HydrophobicContact CB-CG2 4.31Å; I99-V133 CarbonylContact O-C 3.59Å; I99-V133 VanDerWaalsContact O-CA 3.28Å; I99-V133 WeakPolarHBondContact O-CA 3.49Å; I101-V133 HydrophobicContact CD1-CG1 3.52Å; I101-V133 HydrophobicContact CG1-CG1 4.11Å; V131-V133 HydrophobicContact CG1-CG2 4.05Å; V133-T135 HydrophobicContact CG1-CG2 3.97Å; V133-F157 HydrophobicContact CB-CE2 4.35Å; V133-F157 HydrophobicContact CB-CZ 4.18Å; V133-F157 HydrophobicContact CG2-CD2 4.28Å; V133-F157 HydrophobicContact CG2-CE2 3.35Å; V133-F157 HydrophobicContact CG2-CZ 3.62Å; V133-A158 PolarHBondContact N-O 2.97Å; V133-L159 HydrophobicContact CB-CD1 3.68Å; V133-L159 HydrophobicContact CG1-CD1 3.67Å; V133-I160 PolarHBondContact O-N 3.1Å
134	I	91.7	Very high	77.3	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	121.7	-179.3	-56.5	178.4	0	0	0	108.9	V98 I99 T100 I101 I160 I162 R221 F224 L228	V98-I134 HydrophobicContact CG1-CD1 3.77Å; V98-I134 HydrophobicContact CG1-CG1 4.14Å; I99-I134 PolarHBondContact O-N 2.89Å; T100-I134 HydrophobicContact CG2-CB 4.29Å; T100-I134 HydrophobicContact CG2-CD1 4.31Å; I101-I134 PolarHBondContact N-O 3.14Å; I134-I160 HydrophobicContact CG1-CB 4.48Å; I134-I162 HydrophobicContact CG2-CD1 3.68Å; I134-I162 HydrophobicContact CG2-CG1 4.12Å; I134-R221 PolarHBondContact O-NH2 3.44Å; I134-F224 HydrophobicContact CD1-CD1 4.16Å; I134-F224 HydrophobicContact CD1-CE1 4.04Å; I134-L228 HydrophobicContact CD1-CD1 3.93Å
135	T	88.7	Confident	75.8	Confident	13 Å²	13	30.6 Å²	30.6	8%	0.08	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	174.8	-179.2	67	0	0	0	0	110.1	I101 V133 G137 L159 I160 I162 H200	I101-T135 HydrophobicContact CB-CG2 4.32Å; I101-T135 HydrophobicContact CD1-CG2 4.17Å; V133-T135 HydrophobicContact CG1-CG2 3.97Å; T135-G137 PolarHBondContact O-N 2.9Å; T135-G137 PolarHBondContact OG1-N 2.95Å; T135-L159 HydrophobicContact CG2-CD1 3.84Å; T135-I160 PolarHBondContact N-O 3.07Å; T135-I160 PolarHBondContact OG1-O 3.15Å; T135-I162 PolarHBondContact O-N 3.04Å; T135-H200 PolarHBondContact OG1-CD2 3.46Å; T135-H200 PolarHBondContact OG1-NE2 2.86Å
136	S	84.7	Confident	74.1	Confident	48 Å²	48	32.8 Å²	32.8	34%	0.336	17%	0.173	S	C	.	.			trans	-69.6	-16.6	173.3	56.4	0	0	0	0	113.4	I138 I162 A163	S136-I138 WeakPolarHBondContact O-CG1 3.29Å; S136-I138 PolarHBondContact O-N 3.48Å; S136-I138 VanDerWaalsContact O-N 3.09Å; S136-I162 CarbonylContact C-O 3.54Å; S136-I162 WeakPolarHBondContact CA-O 3.31Å; S136-I162 CarbonylContact O-C 3.51Å; S136-A163 WeakPolarHBondContact O-CA 3.47Å; S136-A163 WeakPolarHBondContact O-CB 3.17Å; S136-A163 PolarHBondContact O-N 3.05Å
137	G	83.2	Confident	72.4	Confident	1 Å²	1	36.4 Å²	36.4	1%	0.01	19%	0.193	C	C	.	.			trans	67.4	3.9	-176.9	0	0	0	0	0	115.2	T135 C197 F203	T135-G137 PolarHBondContact O-N 2.9Å; T135-G137 PolarHBondContact OG1-N 2.95Å; G137-C197 PolarHBondContact O-N 3.36Å; G137-F203 WeakPolarHBondContact O-CE1 3.46Å
138	I	81.9	Confident	70.8	Confident	27 Å²	27	35 Å²	35	14%	0.138	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-96	139.3	-178.7	-55.2	170.6	0	0	0	109.1	S136 V140 A163 P164 L167 V194	S136-I138 WeakPolarHBondContact O-CG1 3.29Å; S136-I138 PolarHBondContact O-N 3.48Å; S136-I138 VanDerWaalsContact O-N 3.09Å; I138-V140 HydrophobicContact CG2-CB 4.45Å; I138-V140 HydrophobicContact CG2-CG2 3.78Å; I138-V140 PolarHBondContact O-N 2.87Å; I138-A163 HydrophobicContact CG1-CB 4.01Å; I138-P164 HydrophobicContact CD1-CG 4.37Å; I138-L167 HydrophobicContact CD1-CD2 4.15Å; I138-V194 HydrophobicContact CG2-CB 3.48Å; I138-V194 VanDerWaalsContact CG2-CB 3.48Å; I138-V194 HydrophobicContact CG2-CG1 3.13Å; I138-V194 HydrophobicContact CG2-CG2 4.08Å
139	R	74.7	Confident	69.2	Low	80 Å²	80	39.1 Å²	39.1	30%	0.302	21%	0.207	S	C	.	.			trans	-77.9	60.2	175.9	-161.7	-176.4	-172.2	152.2	19.7	111.6	P185 S195 C197 E198	R139-P185 VanDerWaalsContact NH1-CB 3.26Å; R139-P185 VanDerWaalsContact NH1-CG 3.35Å; R139-S195 WeakPolarHBondContact CB-O 3.14Å; R139-S195 PolarHBondContact N-O 3.46Å; R139-C197 HydrophobicContact CB-CB 4.39Å; R139-E198 IonicContact CZ-OE1 3.23Å; R139-E198 IonicContact CZ-OE2 3.4Å; R139-E198 VanDerWaalsContact CZ-OE2 3.23Å; R139-E198 IonicContact NH1-OE2 3.28Å; R139-E198 PolarHBondContact NH1-OE2 3.12Å; R139-E198 VanDerWaalsContact NH1-OE2 3.09Å; R139-E198 IonicContact NH2-OE1 3Å; R139-E198 PolarHBondContact NH2-OE1 3.31Å; R139-E198 IonicContact NH2-OE2 3.51Å; R139-E198 PolarHBondContact NH2-OE2 3.43Å
140	V	59.2	Low	67.7	Low	22 Å²	22	45.3 Å²	45.3	13%	0.133	24%	0.236	C	C	.	.	S	Bend	trans	-123.3	119.8	171.9	178.3	0	0	0	0	109.7	G105 D107 I138 V194	G105-V140 WeakPolarHBondContact O-CG1 3.4Å; D107-V140 HydrophobicContact CB-CG1 4.44Å; D107-V140 VanDerWaalsContact OD1-CA 3.27Å; D107-V140 WeakPolarHBondContact OD1-CA 3.41Å; D107-V140 WeakPolarHBondContact OD1-CG1 3.41Å; I138-V140 HydrophobicContact CG2-CB 4.45Å; I138-V140 HydrophobicContact CG2-CG2 3.78Å; I138-V140 PolarHBondContact O-N 2.87Å; V140-V194 HydrophobicContact CG2-CB 4.43Å; V140-V194 HydrophobicContact CG2-CG1 3.53Å; V140-V194 HydrophobicContact CG2-CG2 4.09Å
141	G	53.9	Low	65.8	Low	10 Å²	10	50.1 Å²	50.1	10%	0.103	27%	0.267	C	S	.	.	S	Bend	trans	70.6	132.8	-166.8	0	0	0	0	0	110.4	D107 L143	D107-G141 PolarHBondContact OD1-N 2.84Å; G141-L143 PolarHBondContact O-N 3Å
142	Q	51.9	Low	63.4	Low	158 Å²	158	53.8 Å²	53.8	74%	0.738	30%	0.298	S	S	*	.			trans	-71.7	83.5	179.4	-72.7	178.8	0.9	0	0	109.9	W115	W115-Q142 WeakPolarHBondContact CH2-O 3.35Å; W115-Q142 VanDerWaalsContact CZ3-O 3.28Å; W115-Q142 WeakPolarHBondContact CZ3-O 3.39Å
143	L	52.6	Low	61.4	Low	28 Å²	28	54.7 Å²	54.7	15%	0.147	30%	0.303	C	S	.	.			trans	-113.8	100.9	171.4	-88.8	162.9	0	0	0	109	F108 L110 W115 F118 G141 L247	F108-L143 HydrophobicContact CE1-CD1 4.03Å; F108-L143 HydrophobicContact CE2-CD1 4.43Å; F108-L143 HydrophobicContact CZ-CD1 3.48Å; F108-L143 VanDerWaalsContact CZ-CD1 3.48Å; F108-L143 HydrophobicContact CZ-CG 4.38Å; L110-L143 HydrophobicContact CD1-CD2 4.38Å; W115-L143 HydrophobicContact CH2-CD2 4.25Å; W115-L143 HydrophobicContact CZ3-CD2 3.65Å; W115-L143 HydrophobicContact CZ3-CG 4.31Å; F118-L143 HydrophobicContact CD1-CD2 4.42Å; F118-L143 HydrophobicContact CE1-CD2 3.77Å; F118-L143 HydrophobicContact CZ-CD2 4.09Å; G141-L143 PolarHBondContact O-N 3Å; L143-L247 HydrophobicContact CD1-CB 4.38Å; L143-L247 HydrophobicContact CD1-CD1 4.08Å; L143-L247 HydrophobicContact CD2-CD1 3.4Å; L143-L247 VanDerWaalsContact CD2-CD1 3.4Å; L143-L247 HydrophobicContact CG-CD1 4.41Å
144	V	53.2	Low	59.7	Low	17 Å²	17	58.5 Å²	58.5	10%	0.103	33%	0.327	C	S	.	.			trans	94.1	73.8	164.4	-164.8	0	0	0	0	113.6	L159	V144-L159 HydrophobicContact CB-CD2 4.34Å; V144-L159 HydrophobicContact CG1-CD2 3.96Å
145	H	51.3	Low	58.3	Low	71 Å²	71	62.4 Å²	62.4	33%	0.329	35%	0.354	S	S	.	.			trans	-99.7	106.1	154.9	-159.5	78.4	0	0	0	108.5	D147 E198	H145-D147 IonicContact CD2-OD1 3.47Å; H145-D147 PolarHBondContact CD2-OD1 3.18Å; H145-D147 VanDerWaalsContact CD2-OD1 3.28Å; H145-D147 IonicContact NE2-OD1 2.69Å; H145-E198 IonicContact CE1-OE1 2.69Å; H145-E198 IonicContact ND1-OE1 2.65Å
146	C	49.6	Very low	57.4	Low	51 Å²	51	64.4 Å²	64.4	35%	0.345	36%	0.364	S	S	.	.			trans	-88	98.9	170.8	-72.6	0	0	0	0	108.6	D148	C146-D148 PolarHBondContact O-N 3.36Å
147	D	47.5	Very low	57.2	Low	77 Å²	77	63.2 Å²	63.2	41%	0.412	35%	0.353	S	S	.	.			trans	-57.9	117.6	174.9	-67.7	-50.8	0	0	0	112.4	R119 H145 N149	R119-D147 IonicContact CZ-OD2 3.05Å; R119-D147 IonicContact NH1-OD2 3.62Å; R119-D147 PolarHBondContact NH1-OD2 3.02Å; R119-D147 PolarHBondContact NH2-O 2.95Å; R119-D147 IonicContact NH2-OD2 3.68Å; H145-D147 IonicContact CD2-OD1 3.47Å; H145-D147 PolarHBondContact CD2-OD1 3.18Å; H145-D147 VanDerWaalsContact CD2-OD1 3.28Å; H145-D147 IonicContact NE2-OD1 2.69Å; D147-N149 VanDerWaalsContact C-N 3.31Å; D147-N149 PolarHBondContact O-N 2.86Å
148	D	47	Very low	57.4	Low	60 Å²	60	63.5 Å²	63.5	32%	0.321	36%	0.355	S	S	.	.	S	Bend	trans	40.7	-22.6	137.8	-67.8	-21.5	0	0	0	124.4	R64 C146	R64-D148 PolarHBondContact NH1-O 3.14Å; R64-D148 PolarHBondContact NH2-O 3.01Å; C146-D148 PolarHBondContact O-N 3.36Å
149	N	44.4	Very low	57.7	Low	143 Å²	143	62.3 Å²	62.3	77%	0.765	35%	0.349	S	S	*	.	S	Bend	trans	-101.4	-8.4	-159.4	-79.5	-21.7	0	0	0	118.7	D147	D147-N149 VanDerWaalsContact C-N 3.31Å; D147-N149 PolarHBondContact O-N 2.86Å
150	E	48	Very low	58.5	Low	134 Å²	134	58.5 Å²	58.5	63%	0.626	34%	0.335	S	S	*	.			trans	-137.8	103	179.8	-69.1	-161.8	163	0	0	114.2	A152 V153	E150-A152 PolarHBondContact O-N 3Å; E150-V153 HydrophobicContact CB-CG2 4.06Å
151	P	45.5	Very low	60	Low	108 Å²	108	57.5 Å²	57.5	70%	0.701	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-7.7	175.7	29.2	-34.1	0	0	0	113.5	T154	P151-T154 PolarHBondContact O-OG1 3.36Å
152	A	38.9	Very low	61.8	Low	78 Å²	78	57 Å²	57	65%	0.645	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-25.6	-176.6	0	0	0	0	0	113.4	E150 T154	E150-A152 PolarHBondContact O-N 3Å; A152-T154 VanDerWaalsContact C-N 3.28Å; A152-T154 PolarHBondContact O-N 3.31Å
153	V	51.5	Low	63.7	Low	22 Å²	22	49.5 Å²	49.5	13%	0.133	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-76.4	-16.7	-174	-173.4	0	0	0	0	112.2	L123 A126 E150 S155	L123-V153 HydrophobicContact CD2-CG1 4.03Å; A126-V153 HydrophobicContact CB-CG1 4.46Å; E150-V153 HydrophobicContact CB-CG2 4.06Å; V153-S155 VanDerWaalsContact C-N 3.34Å; V153-S155 PolarHBondContact O-N 2.72Å
154	T	55.4	Low	65.5	Low	80 Å²	80	48.3 Å²	48.3	49%	0.491	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-75	-13.6	-168.6	57.3	0	0	0	0	115.3	P151 A152	P151-T154 PolarHBondContact O-OG1 3.36Å; A152-T154 VanDerWaalsContact C-N 3.28Å; A152-T154 PolarHBondContact O-N 3.31Å
155	S	61.3	Low	67.3	Low	82 Å²	82	48.2 Å²	48.2	57%	0.573	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-79.3	-37	179.4	61.3	0	0	0	0	113	V153	V153-S155 VanDerWaalsContact C-N 3.34Å; V153-S155 PolarHBondContact O-N 2.72Å
156	N	68.8	Low	69.1	Low	55 Å²	55	45.2 Å²	45.2	29%	0.294	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-8.9	-171.5	-61	2.1	0	0	0	112.6	S130 V131	S130-N156 CarbonylContact C-O 3.55Å; S130-N156 VanDerWaalsContact CA-O 3.28Å; S130-N156 WeakPolarHBondContact CA-O 3.49Å; V131-N156 PolarHBondContact N-O 3.32Å
157	F	81.3	Confident	70.9	Confident	23 Å²	23	44.1 Å²	44.1	10%	0.101	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	115.1	-174.2	-173.2	-99.9	0	0	0	110.6	A126 V133 L159	A126-F157 HydrophobicContact CB-CB 4.13Å; A126-F157 HydrophobicContact CB-CD2 3.49Å; A126-F157 VanDerWaalsContact CB-CD2 3.49Å; A126-F157 HydrophobicContact CB-CE2 4.26Å; A126-F157 HydrophobicContact CB-CG 4.16Å; V133-F157 HydrophobicContact CB-CE2 4.35Å; V133-F157 HydrophobicContact CB-CZ 4.18Å; V133-F157 HydrophobicContact CG2-CD2 4.28Å; V133-F157 HydrophobicContact CG2-CE2 3.35Å; V133-F157 HydrophobicContact CG2-CZ 3.62Å; F157-L159 HydrophobicContact CE1-CB 4.05Å; F157-L159 HydrophobicContact CE1-CD1 4.48Å; F157-L159 HydrophobicContact CZ-CD1 4.45Å
158	A	87.1	Confident	72.9	Confident	7 Å²	7	40.9 Å²	40.9	6%	0.058	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	117.1	175.1	0	0	0	0	0	110.7	L92 V131 W132 V133	L92-A158 HydrophobicContact CD1-CB 4.38Å; L92-A158 HydrophobicContact CD2-CB 4.26Å; V131-A158 PolarHBondContact O-N 3.08Å; V131-A158 VanDerWaalsContact O-N 3.08Å; W132-A158 WeakPolarHBondContact CA-O 3.47Å; W132-A158 HydrophobicContact CG-CB 4.3Å; V133-A158 PolarHBondContact N-O 2.97Å
159	L	88.4	Confident	74.7	Confident	3 Å²	3	41.5 Å²	41.5	2%	0.016	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	112.8	176.6	-170.7	69	0	0	0	109.8	V133 T135 V144 F157 H200 N201 C202	V133-L159 HydrophobicContact CB-CD1 3.68Å; V133-L159 HydrophobicContact CG1-CD1 3.67Å; T135-L159 HydrophobicContact CG2-CD1 3.84Å; V144-L159 HydrophobicContact CB-CD2 4.34Å; V144-L159 HydrophobicContact CG1-CD2 3.96Å; F157-L159 HydrophobicContact CE1-CB 4.05Å; F157-L159 HydrophobicContact CE1-CD1 4.48Å; F157-L159 HydrophobicContact CZ-CD1 4.45Å; L159-H200 HydrophobicContact CD2-CB 4.44Å; L159-H200 VanDerWaalsContact CG-CD2 3.5Å; L159-H200 WeakPolarHBondContact CG-CD2 3.5Å; L159-N201 PolarHBondContact N-OD1 3.03Å; L159-N201 PolarHBondContact O-N 3.47Å; L159-C202 PolarHBondContact O-N 2.81Å
160	I	91.4	Very high	76.6	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	124.7	-175.6	-52.9	-179.8	0	0	0	109	L86 W132 V133 I134 T135 I162 L204	L86-I160 HydrophobicContact CD1-CD1 3.94Å; L86-I160 HydrophobicContact CD2-CD1 4.31Å; W132-I160 HydrophobicContact CB-CD1 4.39Å; W132-I160 HydrophobicContact CD2-CD1 3.93Å; W132-I160 HydrophobicContact CE3-CD1 3.77Å; W132-I160 HydrophobicContact CG-CD1 4.24Å; W132-I160 HydrophobicContact CZ3-CD1 4.41Å; V133-I160 PolarHBondContact O-N 3.1Å; I134-I160 HydrophobicContact CG1-CB 4.48Å; T135-I160 PolarHBondContact N-O 3.07Å; T135-I160 PolarHBondContact OG1-O 3.15Å; I160-I162 HydrophobicContact CG2-CG1 4.43Å; I160-L204 HydrophobicContact CG2-CD1 4.27Å
161	G	90.4	Very high	78.5	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	116.3	177.6	0	0	0	0	0	111.7	C202 F203 L204	G161-C202 PolarHBondContact N-O 3.09Å; G161-F203 CarbonylContact O-C 3.55Å; G161-F203 VanDerWaalsContact O-CA 3.3Å; G161-F203 WeakPolarHBondContact O-CA 3.46Å; G161-L204 PolarHBondContact O-N 3.39Å
162	I	92.8	Very high	80.4	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	103	174.8	-49.7	179.6	0	0	0	108.8	I134 T135 S136 I160 L204 V206 E217 R221	I134-I162 HydrophobicContact CG2-CD1 3.68Å; I134-I162 HydrophobicContact CG2-CG1 4.12Å; T135-I162 PolarHBondContact O-N 3.04Å; S136-I162 CarbonylContact C-O 3.54Å; S136-I162 WeakPolarHBondContact CA-O 3.31Å; S136-I162 CarbonylContact O-C 3.51Å; I160-I162 HydrophobicContact CG2-CG1 4.43Å; I162-L204 WeakPolarHBondContact CA-O 3.42Å; I162-L204 HydrophobicContact CG1-CB 4.36Å; I162-L204 HydrophobicContact CG1-CD1 4.27Å; I162-L204 HydrophobicContact CG2-CB 4.48Å; I162-V206 HydrophobicContact CG2-CG2 3.84Å; I162-E217 HydrophobicContact CG2-CB 4.07Å; I162-R221 HydrophobicContact CD1-CB 4.04Å; I162-R221 HydrophobicContact CD1-CG 4.03Å
163	A	90.4	Very high	82.7	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	145.9	-172.5	0	0	0	0	0	111.7	S136 I138 W165 L196 L204 L205 V206	S136-A163 WeakPolarHBondContact O-CA 3.47Å; S136-A163 WeakPolarHBondContact O-CB 3.17Å; S136-A163 PolarHBondContact O-N 3.05Å; I138-A163 HydrophobicContact CG1-CB 4.01Å; A163-W165 PolarHBondContact O-N 2.9Å; A163-L196 HydrophobicContact CB-CD2 4.14Å; A163-L204 PolarHBondContact N-O 3.29Å; A163-L205 HydrophobicContact CB-CD2 4.1Å; A163-L205 CarbonylContact O-C 3.55Å; A163-L205 VanDerWaalsContact O-CA 3.3Å; A163-L205 WeakPolarHBondContact O-CA 3.42Å; A163-V206 PolarHBondContact O-N 2.77Å
164	P	91.4	Very high	84.5	Confident	3 Å²	3	41.4 Å²	41.4	2%	0.019	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	124.9	172.5	25.8	-25.2	0	0	0	111.2	I138 G166 L167 I168 V206 E217	I138-P164 HydrophobicContact CD1-CG 4.37Å; P164-G166 VanDerWaalsContact C-N 3.31Å; P164-G166 PolarHBondContact O-N 3.11Å; P164-L167 HydrophobicContact CB-CB 4.44Å; P164-L167 HydrophobicContact CG-CB 3.86Å; P164-L167 HydrophobicContact CG-CD2 4.18Å; P164-L167 PolarHBondContact O-N 2.88Å; P164-I168 WeakPolarHBondContact O-CG1 3.37Å; P164-V206 CarbonylContact C-O 3.11Å; P164-V206 WeakPolarHBondContact CA-O 3.23Å; P164-E217 VanDerWaalsContact CB-OE2 3.3Å; P164-E217 WeakPolarHBondContact CB-OE2 3.37Å; P164-E217 HydrophobicContact CG-CG 4.39Å; P164-E217 WeakPolarHBondContact CG-OE2 3.46Å
165	W	91.9	Very high	86.2	Confident	15 Å²	15	40.8 Å²	40.8	6%	0.057	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-55.5	-43.9	178.7	176.1	-108.1	0	0	0	112.5	A53 R72 A163 L167 I168 A171 L174 I175 L205 V206 D207	A53-W165 HydrophobicContact CB-CH2 3.93Å; A53-W165 HydrophobicContact CB-CZ3 4.3Å; R72-W165 HydrophobicContact CG-CD2 4.3Å; R72-W165 HydrophobicContact CG-CE3 4.39Å; A163-W165 PolarHBondContact O-N 2.9Å; W165-L167 PolarHBondContact O-N 3.34Å; W165-I168 HydrophobicContact CE3-CD1 4.18Å; W165-I168 PolarHBondContact O-N 3.25Å; W165-I168 VanDerWaalsContact O-N 3.13Å; W165-A171 HydrophobicContact CD2-CB 4.13Å; W165-A171 HydrophobicContact CE3-CB 4.25Å; W165-A171 HydrophobicContact CH2-CB 3.93Å; W165-A171 WeakPolarHBondContact CH2-O 3.32Å; W165-A171 HydrophobicContact CZ2-CB 3.74Å; W165-A171 HydrophobicContact CZ3-CB 4.17Å; W165-L174 HydrophobicContact CH2-CB 3.78Å; W165-L174 HydrophobicContact CZ3-CB 3.85Å; W165-L174 HydrophobicContact CZ3-CD1 3.87Å; W165-L174 HydrophobicContact CZ3-CG 4.45Å; W165-I175 HydrophobicContact CH2-CG1 4.2Å; W165-I175 HydrophobicContact CZ2-CD1 4.5Å; W165-I175 HydrophobicContact CZ2-CG1 4.08Å; W165-L205 HydrophobicContact CE3-CB 4.03Å; W165-L205 HydrophobicContact CE3-CD1 3.75Å; W165-L205 HydrophobicContact CZ3-CD1 3.75Å; W165-V206 WeakPolarHBondContact CB-O 3.45Å; W165-V206 PolarHBondContact N-O 3.41Å; W165-D207 HydrophobicContact CB-CB 3.86Å; W165-D207 HydrophobicContact CG-CB 4.18Å
166	G	88.1	Confident	87.4	Confident	7 Å²	7	37.4 Å²	37.4	7%	0.072	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-62.7	-13.5	-179.1	0	0	0	0	0	115.5	P164 F193 T210 G212	P164-G166 VanDerWaalsContact C-N 3.31Å; P164-G166 PolarHBondContact O-N 3.11Å; G166-F193 WeakPolarHBondContact O-CE1 3.37Å; G166-T210 WeakPolarHBondContact CA-O 3.37Å; G166-G212 PolarHBondContact O-N 3.27Å
167	L	87.8	Confident	88.3	Confident	28 Å²	28	38.6 Å²	38.6	15%	0.147	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-101.6	-12.4	179.3	-158.7	68.8	0	0	0	113	I138 P164 W165 R169 R192 F193 V194	I138-L167 HydrophobicContact CD1-CD2 4.15Å; P164-L167 HydrophobicContact CB-CB 4.44Å; P164-L167 HydrophobicContact CG-CB 3.86Å; P164-L167 HydrophobicContact CG-CD2 4.18Å; P164-L167 PolarHBondContact O-N 2.88Å; W165-L167 PolarHBondContact O-N 3.34Å; L167-R169 PolarHBondContact O-N 3.27Å; L167-R192 VanDerWaalsContact CD1-O 3.26Å; L167-R192 WeakPolarHBondContact CD1-O 3.4Å; L167-F193 CarbonylContact O-C 3.6Å; L167-F193 VanDerWaalsContact O-CA 3.23Å; L167-F193 WeakPolarHBondContact O-CA 3.3Å; L167-F193 WeakPolarHBondContact O-CB 3.38Å; L167-V194 HydrophobicContact CD2-CG2 4.08Å; L167-V194 HydrophobicContact CG-CG2 4.16Å; L167-V194 PolarHBondContact O-N 3.42Å
168	I	88.8	Confident	88.6	Confident	9 Å²	9	43.3 Å²	43.3	5%	0.046	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-75	125.8	-173.8	-61.3	165.1	0	0	0	110.5	P164 W165 R170 A171 L174 V194 L196 L205	P164-I168 WeakPolarHBondContact O-CG1 3.37Å; W165-I168 HydrophobicContact CE3-CD1 4.18Å; W165-I168 PolarHBondContact O-N 3.25Å; W165-I168 VanDerWaalsContact O-N 3.13Å; I168-R170 PolarHBondContact O-N 2.9Å; I168-A171 HydrophobicContact CB-CB 4.24Å; I168-A171 HydrophobicContact CG2-CB 4.46Å; I168-A171 PolarHBondContact O-N 3.19Å; I168-L174 HydrophobicContact CG2-CD1 4.16Å; I168-V194 WeakPolarHBondContact CA-O 3.39Å; I168-L196 HydrophobicContact CD1-CD2 4.09Å; I168-L196 HydrophobicContact CG1-CD2 4.25Å; I168-L196 HydrophobicContact CG2-CG 4.39Å; I168-L205 HydrophobicContact CD1-CB 4.32Å; I168-L205 HydrophobicContact CD1-CD1 3.9Å; I168-L205 HydrophobicContact CD1-CD2 3.59Å; I168-L205 HydrophobicContact CD1-CG 4.14Å
169	R	85.5	Confident	88.5	Confident	74 Å²	74	47.9 Å²	47.9	28%	0.279	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	126.7	177.2	-174	176.1	177.2	99.1	-2.1	110	L167 A171 S191 F193 V194	L167-R169 PolarHBondContact O-N 3.27Å; R169-A171 VanDerWaalsContact C-N 3.31Å; R169-A171 PolarHBondContact O-N 3.08Å; R169-S191 PolarHBondContact NH1-OG 3.34Å; R169-F193 HydrophobicContact CB-CB 3.86Å; R169-F193 HydrophobicContact CG-CB 4.34Å; R169-V194 PolarHBondContact N-O 3.08Å
170	R	83.7	Confident	88.4	Confident	161 Å²	161	50.8 Å²	50.8	61%	0.608	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	58	39.6	-178.9	-62.3	172.8	169	174.3	-4.2	112.7	I168 E172 K173	I168-R170 PolarHBondContact O-N 2.9Å; R170-E172 PolarHBondContact O-N 3.17Å; R170-E172 VanDerWaalsContact O-N 3.11Å; R170-K173 HydrophobicContact CB-CD 4.32Å; R170-K173 HydrophobicContact CB-CG 4.32Å; R170-K173 WeakPolarHBondContact O-CB 3.3Å; R170-K173 PolarHBondContact O-N 3.09Å
171	A	87.3	Confident	88.2	Confident	15 Å²	15	52.5 Å²	52.5	12%	0.124	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-51.8	-30.9	174.7	0	0	0	0	0	113	W165 I168 R169 K173 L174	W165-A171 HydrophobicContact CD2-CB 4.13Å; W165-A171 HydrophobicContact CE3-CB 4.25Å; W165-A171 HydrophobicContact CH2-CB 3.93Å; W165-A171 WeakPolarHBondContact CH2-O 3.32Å; W165-A171 HydrophobicContact CZ2-CB 3.74Å; W165-A171 HydrophobicContact CZ3-CB 4.17Å; I168-A171 HydrophobicContact CB-CB 4.24Å; I168-A171 HydrophobicContact CG2-CB 4.46Å; I168-A171 PolarHBondContact O-N 3.19Å; R169-A171 VanDerWaalsContact C-N 3.31Å; R169-A171 PolarHBondContact O-N 3.08Å; A171-K173 PolarHBondContact O-N 3.5Å; A171-K173 VanDerWaalsContact O-N 3.08Å; A171-L174 VanDerWaalsContact O-CB 3.32Å; A171-L174 WeakPolarHBondContact O-CB 3.18Å; A171-L174 PolarHBondContact O-N 2.97Å
172	E	86.4	Confident	88.1	Confident	165 Å²	165	56.9 Å²	56.9	77%	0.771	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-51.1	-31.8	173.1	-62.8	164.2	-155.4	0	0	113.8	R170 L174 I175	R170-E172 PolarHBondContact O-N 3.17Å; R170-E172 VanDerWaalsContact O-N 3.11Å; E172-L174 VanDerWaalsContact C-N 3.28Å; E172-L174 PolarHBondContact O-N 3.19Å; E172-I175 PolarHBondContact O-N 2.9Å
173	K	87.3	Confident	87.7	Confident	138 Å²	138	58 Å²	58	60%	0.6	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-72.5	-21.1	177.7	-68	-169.2	174.4	-164	0	113.5	R170 A171 I175 L181	R170-K173 HydrophobicContact CB-CD 4.32Å; R170-K173 HydrophobicContact CB-CG 4.32Å; R170-K173 WeakPolarHBondContact O-CB 3.3Å; R170-K173 PolarHBondContact O-N 3.09Å; A171-K173 PolarHBondContact O-N 3.5Å; A171-K173 VanDerWaalsContact O-N 3.08Å; K173-I175 VanDerWaalsContact C-N 3.28Å; K173-L181 WeakPolarHBondContact O-CD1 3.49Å
174	L	88.9	Confident	87.5	Confident	3 Å²	3	65.1 Å²	65.1	2%	0.016	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-82.9	-8.5	-179.1	-57.2	-178.7	0	0	0	112.5	L57 Y70 W165 I168 A171 E172 G176 L181 Y183 L196 L205	L57-L174 HydrophobicContact CD2-CD2 3.48Å; L57-L174 VanDerWaalsContact CD2-CD2 3.48Å; Y70-L174 HydrophobicContact CE2-CB 4.06Å; Y70-L174 WeakPolarHBondContact CE2-O 3.33Å; Y70-L174 PolarHBondContact OH-O 2.78Å; W165-L174 HydrophobicContact CH2-CB 3.78Å; W165-L174 HydrophobicContact CZ3-CB 3.85Å; W165-L174 HydrophobicContact CZ3-CD1 3.87Å; W165-L174 HydrophobicContact CZ3-CG 4.45Å; I168-L174 HydrophobicContact CG2-CD1 4.16Å; A171-L174 VanDerWaalsContact O-CB 3.32Å; A171-L174 WeakPolarHBondContact O-CB 3.18Å; A171-L174 PolarHBondContact O-N 2.97Å; E172-L174 VanDerWaalsContact C-N 3.28Å; E172-L174 PolarHBondContact O-N 3.19Å; L174-G176 PolarHBondContact O-N 3.44Å; L174-L181 HydrophobicContact CD2-CD1 3.97Å; L174-Y183 HydrophobicContact CD2-CD2 4.18Å; L174-Y183 HydrophobicContact CD2-CE2 4.46Å; L174-L196 HydrophobicContact CD1-CD1 4.4Å; L174-L205 HydrophobicContact CD1-CD1 3.96Å
175	I	90.3	Very high	86.8	Confident	68 Å²	68	66 Å²	66	35%	0.349	32%	0.322	S	S	.	.			trans	-73	123	-179.8	-57.6	175.6	0	0	0	110.1	D52 W165 E172 K173 K179	D52-I175 HydrophobicContact CB-CG2 4.25Å; W165-I175 HydrophobicContact CH2-CG1 4.2Å; W165-I175 HydrophobicContact CZ2-CD1 4.5Å; W165-I175 HydrophobicContact CZ2-CG1 4.08Å; E172-I175 PolarHBondContact O-N 2.9Å; K173-I175 VanDerWaalsContact C-N 3.28Å; I175-K179 PolarHBondContact O-NZ 3.49Å
176	G	87.1	Confident	85.9	Confident	10 Å²	10	71.2 Å²	71.2	10%	0.103	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	156.5	147.9	177.8	0	0	0	0	0	112.1	D52 Y54 L174	D52-G176 CarbonylContact O-C 3.49Å; D52-G176 VanDerWaalsContact O-CA 3.28Å; D52-G176 WeakPolarHBondContact O-CA 3.44Å; D52-G176 PolarHBondContact O-N 3.08Å; D52-G176 VanDerWaalsContact O-O 3.14Å; Y54-G176 PolarHBondContact N-O 3.43Å; Y54-G176 VanDerWaalsContact O-O 3.11Å; L174-G176 PolarHBondContact O-N 3.44Å
177	S	87.4	Confident	84.9	Confident	81 Å²	81	75.3 Å²	75.3	57%	0.566	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.3	120.2	174.8	44.6	0	0	0	0	111.3	Y54 K179	Y54-S177 WeakPolarHBondContact OH-CB 3.5Å; S177-K179 VanDerWaalsContact C-N 3.27Å; S177-K179 PolarHBondContact O-N 3.37Å
178	N	87.5	Confident	83.9	Confident	122 Å²	122	76.3 Å²	76.3	65%	0.652	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	50.5	38.3	176.5	-158.3	16.3	0	0	0	115.1	Y54	Y54-N178 HydrophobicContact CD2-CB 4.26Å; Y54-N178 HydrophobicContact CE2-CB 3.72Å; Y54-N178 VanDerWaalsContact CE2-N 3.29Å; Y54-N178 VanDerWaalsContact O-CA 3.22Å; Y54-N178 WeakPolarHBondContact O-CA 3.16Å; Y54-N178 PolarHBondContact O-N 3.2Å
179	K	85.3	Confident	82.7	Confident	103 Å²	103	84.9 Å²	84.9	45%	0.448	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	143.4	-179	-70.6	-172.1	-176.7	162.4	0	111.7	Y54 G55 T56 I175 S177 L181	Y54-K179 PolarHBondContact O-N 2.93Å; G55-K179 WeakPolarHBondContact CA-O 3.24Å; T56-K179 PolarHBondContact N-O 2.88Å; I175-K179 PolarHBondContact O-NZ 3.49Å; S177-K179 VanDerWaalsContact C-N 3.27Å; S177-K179 PolarHBondContact O-N 3.37Å; K179-L181 HydrophobicContact CB-CD2 4.16Å; K179-L181 HydrophobicContact CB-CG 4.02Å; K179-L181 HydrophobicContact CD-CD2 4.38Å
180	C	87.6	Confident	81.8	Confident	64 Å²	64	93.3 Å²	93.3	43%	0.432	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	101.8	168.1	-165.7	0	0	0	0	109	T56 K58	T56-C180 CarbonylContact O-C 3.55Å; T56-C180 VanDerWaalsContact O-CA 3.3Å; T56-C180 WeakPolarHBondContact O-CA 3.24Å; T56-C180 PolarHBondContact OG1-SG 2.75Å; K58-C180 VanDerWaalsContact CD-SG 3.57Å; K58-C180 WeakPolarHBondContact CE-SG 3.48Å; K58-C180 PolarHBondContact NZ-SG 3.33Å; K58-C180 VanDerWaalsContact NZ-SG 3.38Å
181	L	86.5	Confident	81.3	Confident	36 Å²	36	87 Å²	87	19%	0.188	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	136.5	-170.1	-65.8	171.1	0	0	0	111.9	T56 L57 K58 Y70 K173 L174 K179 Y183	T56-L181 PolarHBondContact O-N 3.49Å; L57-L181 CarbonylContact C-O 3.56Å; L57-L181 WeakPolarHBondContact CA-O 3.46Å; L57-L181 HydrophobicContact CD2-CB 4.19Å; L57-L181 HydrophobicContact CD2-CD1 4.45Å; K58-L181 PolarHBondContact N-O 3.28Å; Y70-L181 HydrophobicContact CE1-CD1 4.44Å; Y70-L181 WeakPolarHBondContact OH-CD1 3.43Å; K173-L181 WeakPolarHBondContact O-CD1 3.49Å; L174-L181 HydrophobicContact CD2-CD1 3.97Å; K179-L181 HydrophobicContact CB-CD2 4.16Å; K179-L181 HydrophobicContact CB-CG 4.02Å; K179-L181 HydrophobicContact CD-CD2 4.38Å; L181-Y183 PolarHBondContact O-N 3.37Å
182	N	87.1	Confident	80.7	Confident	92 Å²	92	96.5 Å²	96.5	49%	0.492	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	112.7	170.9	-64.7	-18.8	0	0	0	109.2	K58 H60 Y184	K58-N182 CarbonylContact O-C 3.57Å; K58-N182 WeakPolarHBondContact O-CA 3.41Å; H60-N182 PolarHBondContact CE1-OD1 3.35Å; N182-Y184 HydrophobicContact CB-CE2 4.16Å
183	Y	86.3	Confident	80.6	Confident	25 Å²	25	92 Å²	92	10%	0.098	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	131.7	-179.6	-166.9	-95.6	0	0	0	110.1	K58 F59 H60 L174 L181 P185 S195 L196	K58-Y183 PolarHBondContact O-N 2.81Å; F59-Y183 WeakPolarHBondContact CA-O 3.42Å; F59-Y183 AromaticContact CD1-CD1 3.84Å; F59-Y183 HydrophobicContact CD1-CD1 3.84Å; F59-Y183 AromaticContact CE1-CD1 3.53Å; F59-Y183 HydrophobicContact CE1-CD1 3.53Å; F59-Y183 HydrophobicContact CE1-CE1 4.05Å; F59-Y183 HydrophobicContact CE1-CG 4.44Å; F59-Y183 HydrophobicContact CZ-CD1 4.36Å; H60-Y183 PolarHBondContact N-O 3.34Å; L174-Y183 HydrophobicContact CD2-CD2 4.18Å; L174-Y183 HydrophobicContact CD2-CE2 4.46Å; L181-Y183 PolarHBondContact O-N 3.37Å; Y183-P185 HydrophobicContact CD1-CB 4.45Å; Y183-P185 HydrophobicContact CE1-CB 4.24Å; Y183-S195 WeakPolarHBondContact OH-CA 3.36Å; Y183-L196 HydrophobicContact CE1-CB 3.96Å; Y183-L196 HydrophobicContact CE2-CD1 4.45Å; Y183-L196 PolarHBondContact OH-N 2.9Å; Y183-L196 VanDerWaalsContact OH-N 3.08Å
184	Y	85	Confident	80.3	Confident	149 Å²	149	86.9 Å²	86.9	58%	0.584	43%	0.425	S	S	*	.			trans	-113.9	105.5	178.6	-65.8	-90.4	0	0	0	108	H60 N182 F186	H60-Y184 HydrophobicContact CB-CD1 3.79Å; H60-Y184 HydrophobicContact CB-CE1 3.33Å; H60-Y184 HydrophobicContact CB-CE2 4.47Å; N182-Y184 HydrophobicContact CB-CE2 4.16Å; Y184-F186 PolarHBondContact O-N 3.1Å
185	P	77.1	Confident	80.2	Confident	21 Å²	21	87 Å²	87	14%	0.136	43%	0.427	C	S	.	.			trans	-73.9	125.8	-176.7	33.7	-35.2	0	0	0	108.7	F59 H60 V62 R139 Y183 E198	F59-P185 HydrophobicContact CD1-CB 4.45Å; F59-P185 HydrophobicContact CD1-CG 4.2Å; H60-P185 WeakPolarHBondContact O-CD 3.35Å; V62-P185 HydrophobicContact CG2-CG 3.94Å; R139-P185 VanDerWaalsContact NH1-CB 3.26Å; R139-P185 VanDerWaalsContact NH1-CG 3.35Å; Y183-P185 HydrophobicContact CD1-CB 4.45Å; Y183-P185 HydrophobicContact CE1-CB 4.24Å; P185-E198 WeakPolarHBondContact CG-OE2 3.38Å
186	F	73.6	Confident	80	Confident	125 Å²	125	83.8 Å²	83.8	55%	0.548	41%	0.41	S	S	.	.			trans	-131.8	120.4	-175.7	-176.2	-96.6	0	0	0	109.9	Y184 S195	Y184-F186 PolarHBondContact O-N 3.1Å; F186-S195 PolarHBondContact O-OG 3.32Å
187	S	66.7	Low	79.8	Confident	92 Å²	92	84 Å²	84	64%	0.643	41%	0.41	S	S	*	.			trans	-84.3	131.4	173.8	51.6	0	0	0	0	110.3
188	S	66.6	Low	79.4	Confident	49 Å²	49	81 Å²	81	34%	0.343	39%	0.387	S	S	.	.			trans	-142.4	111.5	173.5	-172.2	0	0	0	0	109.9	R190 S191	S188-R190 PolarHBondContact O-N 3.07Å; S188-S191 PolarHBondContact O-N 3.4Å
189	Q	63.8	Low	78.9	Confident	190 Å²	190	75.9 Å²	75.9	89%	0.888	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-17.2	-179.3	-68.8	179.2	-14.1	0	0	113.8
190	R	67.5	Low	78.9	Confident	250 Å²	250	71.1 Å²	71.1	94%	0.943	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-8.5	-179.2	-69.3	-174.5	179	169.9	0.1	114	S188	S188-R190 PolarHBondContact O-N 3.07Å
191	S	72	Confident	78.8	Confident	29 Å²	29	70.2 Å²	70.2	20%	0.203	33%	0.333	C	S	.	.			trans	-97.1	128.1	-171.7	169.7	0	0	0	0	110.3	R169 S188 F193	R169-S191 PolarHBondContact NH1-OG 3.34Å; S188-S191 PolarHBondContact O-N 3.4Å; S191-F193 PolarHBondContact O-N 3.47Å; S191-F193 PolarHBondContact OG-N 2.88Å; S191-F193 PolarHBondContact OG-O 3.28Å
192	R	75.7	Confident	79.1	Confident	215 Å²	215	68.6 Å²	68.6	81%	0.811	33%	0.325	S	S	*	.	S	Bend	trans	-64.4	-23	167.9	-69.6	-171.7	-174.4	177.8	1.9	112.5	L167	L167-R192 VanDerWaalsContact CD1-O 3.26Å; L167-R192 WeakPolarHBondContact CD1-O 3.4Å
193	F	83.4	Confident	79.3	Confident	70 Å²	70	64.2 Å²	64.2	31%	0.307	30%	0.301	S	S	.	.	S	Bend	trans	-88.7	145.2	177.9	-58.4	-79.7	0	0	0	111.3	G166 L167 R169 S191 L211	G166-F193 WeakPolarHBondContact O-CE1 3.37Å; L167-F193 CarbonylContact O-C 3.6Å; L167-F193 VanDerWaalsContact O-CA 3.23Å; L167-F193 WeakPolarHBondContact O-CA 3.3Å; L167-F193 WeakPolarHBondContact O-CB 3.38Å; R169-F193 HydrophobicContact CB-CB 3.86Å; R169-F193 HydrophobicContact CG-CB 4.34Å; S191-F193 PolarHBondContact O-N 3.47Å; S191-F193 PolarHBondContact OG-N 2.88Å; S191-F193 PolarHBondContact OG-O 3.28Å; F193-L211 HydrophobicContact CE1-CD2 4.11Å; F193-L211 HydrophobicContact CE1-CG 4.1Å; F193-L211 HydrophobicContact CZ-CD2 3.72Å; F193-L211 HydrophobicContact CZ-CG 4.23Å
194	V	81.9	Confident	79.8	Confident	30 Å²	30	63 Å²	63	18%	0.182	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-118.9	153.1	-175.5	-163.3	0	0	0	0	111.9	I138 V140 L167 I168 R169	I138-V194 HydrophobicContact CG2-CB 3.48Å; I138-V194 VanDerWaalsContact CG2-CB 3.48Å; I138-V194 HydrophobicContact CG2-CG1 3.13Å; I138-V194 HydrophobicContact CG2-CG2 4.08Å; V140-V194 HydrophobicContact CG2-CB 4.43Å; V140-V194 HydrophobicContact CG2-CG1 3.53Å; V140-V194 HydrophobicContact CG2-CG2 4.09Å; L167-V194 HydrophobicContact CD2-CG2 4.08Å; L167-V194 HydrophobicContact CG-CG2 4.16Å; L167-V194 PolarHBondContact O-N 3.42Å; I168-V194 WeakPolarHBondContact CA-O 3.39Å; R169-V194 PolarHBondContact N-O 3.08Å
195	S	85.7	Confident	80.2	Confident	6 Å²	6	56 Å²	56	4%	0.042	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-84.7	152.3	171.8	58.7	0	0	0	0	112.4	R139 Y183 F186	R139-S195 WeakPolarHBondContact CB-O 3.14Å; R139-S195 PolarHBondContact N-O 3.46Å; Y183-S195 WeakPolarHBondContact OH-CA 3.36Å; F186-S195 PolarHBondContact O-OG 3.32Å
196	L	87.1	Confident	81	Confident	1 Å²	1	55 Å²	55	1%	0.005	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-65.2	146.7	168.3	-63.9	171.9	0	0	0	110.6	L57 F59 A163 I168 L174 Y183 F203 L205	L57-L196 HydrophobicContact CD1-CD1 3.57Å; F59-L196 HydrophobicContact CE1-CB 4.48Å; F59-L196 HydrophobicContact CZ-CB 4.4Å; A163-L196 HydrophobicContact CB-CD2 4.14Å; I168-L196 HydrophobicContact CD1-CD2 4.09Å; I168-L196 HydrophobicContact CG1-CD2 4.25Å; I168-L196 HydrophobicContact CG2-CG 4.39Å; L174-L196 HydrophobicContact CD1-CD1 4.4Å; Y183-L196 HydrophobicContact CE1-CB 3.96Å; Y183-L196 HydrophobicContact CE2-CD1 4.45Å; Y183-L196 PolarHBondContact OH-N 2.9Å; Y183-L196 VanDerWaalsContact OH-N 3.08Å; L196-F203 HydrophobicContact CB-CE1 4.28Å; L196-F203 HydrophobicContact CB-CZ 4.22Å; L196-F203 HydrophobicContact CD2-CD1 4Å; L196-F203 HydrophobicContact CD2-CE1 4.15Å; L196-L205 HydrophobicContact CD2-CD2 4.04Å
197	C	81.6	Confident	81.9	Confident	13 Å²	13	49.9 Å²	49.9	9%	0.088	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-74	152.6	176.7	-158.8	0	0	0	0	110.9	F59 G137 R139 F203	F59-C197 VanDerWaalsContact CE1-O 3.3Å; F59-C197 WeakPolarHBondContact CE1-O 3.48Å; F59-C197 WeakPolarHBondContact CZ-O 3.49Å; G137-C197 PolarHBondContact O-N 3.36Å; R139-C197 HydrophobicContact CB-CB 4.39Å; C197-F203 VanDerWaalsContact O-CZ 3.24Å; C197-F203 WeakPolarHBondContact O-CZ 3.44Å
198	E	80.5	Confident	83	Confident	19 Å²	19	46.6 Å²	46.6	9%	0.089	22%	0.216	C	C	.	.	S	Bend	trans	-89	149.3	172.8	61.2	-146.1	-163.6	0	0	110.1	F59 V62 R139 H145 P185	F59-E198 HydrophobicContact CD1-CB 4.11Å; F59-E198 HydrophobicContact CE1-CB 4.46Å; F59-E198 HydrophobicContact CG-CB 4.42Å; V62-E198 HydrophobicContact CG1-CB 4.41Å; V62-E198 HydrophobicContact CG1-CG 4.08Å; V62-E198 HydrophobicContact CG2-CB 4.11Å; V62-E198 HydrophobicContact CG2-CG 4.36Å; V62-E198 WeakPolarHBondContact CG2-OE2 3.46Å; R139-E198 IonicContact CZ-OE1 3.23Å; R139-E198 IonicContact CZ-OE2 3.4Å; R139-E198 VanDerWaalsContact CZ-OE2 3.23Å; R139-E198 IonicContact NH1-OE2 3.28Å; R139-E198 PolarHBondContact NH1-OE2 3.12Å; R139-E198 VanDerWaalsContact NH1-OE2 3.09Å; R139-E198 IonicContact NH2-OE1 3Å; R139-E198 PolarHBondContact NH2-OE1 3.31Å; R139-E198 IonicContact NH2-OE2 3.51Å; R139-E198 PolarHBondContact NH2-OE2 3.43Å; H145-E198 IonicContact CE1-OE1 2.69Å; H145-E198 IonicContact ND1-OE1 2.65Å; P185-E198 WeakPolarHBondContact CG-OE2 3.38Å
199	G	76.7	Confident	83.9	Confident	15 Å²	15	45.1 Å²	45.1	16%	0.155	21%	0.209	C	C	.	.	S	Bend	trans	98.8	-10.8	176.2	0	0	0	0	0	116.2
200	H	84.4	Confident	85.1	Confident	3 Å²	3	36.3 Å²	36.3	1%	0.014	17%	0.168	C	C	.	.			trans	-71.4	139.8	173.1	-64.8	65.2	0	0	0	112	S68 T135 L159 F203	S68-H200 WeakPolarHBondContact CB-O 3.26Å; T135-H200 PolarHBondContact OG1-CD2 3.46Å; T135-H200 PolarHBondContact OG1-NE2 2.86Å; L159-H200 HydrophobicContact CD2-CB 4.44Å; L159-H200 VanDerWaalsContact CG-CD2 3.5Å; L159-H200 WeakPolarHBondContact CG-CD2 3.5Å; H200-F203 HydrophobicContact CB-CE1 3.78Å; H200-F203 HydrophobicContact CB-CE2 3.84Å; H200-F203 HydrophobicContact CB-CZ 3.4Å; H200-F203 AromaticContact CG-CE1 3.7Å; H200-F203 AromaticContact CG-CZ 3.68Å; H200-F203 AromaticContact ND1-CZ 3.93Å
201	N	86.2	Confident	86	Confident	44 Å²	44	27 Å²	27	24%	0.235	14%	0.137	C	C	.	.	S	Bend	trans	-72.4	-36.7	173.9	-57.8	64.6	0	0	0	110.4	S68 S69 L159	S68-N201 CarbonylContact C-O 3.58Å; S68-N201 VanDerWaalsContact CA-O 3.25Å; S68-N201 WeakPolarHBondContact CA-O 3.23Å; S69-N201 PolarHBondContact N-O 2.85Å; L159-N201 PolarHBondContact N-OD1 3.03Å; L159-N201 PolarHBondContact O-N 3.47Å
202	C	91.3	Very high	86.5	Confident	2 Å²	2	27.1 Å²	27.1	1%	0.014	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	155	-179.5	64.1	0	0	0	0	115	S69 W90 L159 G161	S69-C202 CarbonylContact O-C 3.47Å; S69-C202 WeakPolarHBondContact O-CA 3.23Å; W90-C202 HydrophobicContact CD2-CB 4.48Å; W90-C202 HydrophobicContact CE3-CB 3.49Å; W90-C202 VanDerWaalsContact CE3-CB 3.49Å; W90-C202 HydrophobicContact CH2-CB 3.9Å; W90-C202 HydrophobicContact CZ3-CB 3.19Å; W90-C202 VanDerWaalsContact CZ3-SG 3.6Å; L159-C202 PolarHBondContact O-N 2.81Å; G161-C202 PolarHBondContact N-O 3.09Å
203	F	93.3	Very high	86.8	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	125.1	178.9	-68.1	-75	0	0	0	112	L57 F59 S68 S69 Y70 L71 G137 G161 L196 C197 H200 L205	L57-F203 HydrophobicContact CD1-CD2 4.15Å; L57-F203 HydrophobicContact CD1-CE2 4.47Å; F59-F203 AromaticContact CE2-CE2 3.82Å; F59-F203 HydrophobicContact CE2-CE2 3.82Å; F59-F203 HydrophobicContact CE2-CZ 4.4Å; F59-F203 AromaticContact CZ-CE2 3.65Å; F59-F203 HydrophobicContact CZ-CE2 3.65Å; F59-F203 AromaticContact CZ-CZ 3.91Å; F59-F203 HydrophobicContact CZ-CZ 3.91Å; S68-F203 WeakPolarHBondContact OG-CD2 3.43Å; S68-F203 WeakPolarHBondContact OG-CE2 3.26Å; S69-F203 PolarHBondContact O-N 2.83Å; Y70-F203 WeakPolarHBondContact CA-O 3.43Å; L71-F203 PolarHBondContact N-O 3.39Å; G137-F203 WeakPolarHBondContact O-CE1 3.46Å; G161-F203 CarbonylContact O-C 3.55Å; G161-F203 VanDerWaalsContact O-CA 3.3Å; G161-F203 WeakPolarHBondContact O-CA 3.46Å; L196-F203 HydrophobicContact CB-CE1 4.28Å; L196-F203 HydrophobicContact CB-CZ 4.22Å; L196-F203 HydrophobicContact CD2-CD1 4Å; L196-F203 HydrophobicContact CD2-CE1 4.15Å; C197-F203 VanDerWaalsContact O-CZ 3.24Å; C197-F203 WeakPolarHBondContact O-CZ 3.44Å; H200-F203 HydrophobicContact CB-CE1 3.78Å; H200-F203 HydrophobicContact CB-CE2 3.84Å; H200-F203 HydrophobicContact CB-CZ 3.4Å; H200-F203 AromaticContact CG-CE1 3.7Å; H200-F203 AromaticContact CG-CZ 3.68Å; H200-F203 AromaticContact ND1-CZ 3.93Å; F203-L205 HydrophobicContact CB-CD2 3.82Å; F203-L205 HydrophobicContact CB-CG 4.41Å
204	L	94.8	Very high	86.6	Confident	1 Å²	1	23.4 Å²	23.4	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	107.6	169.2	-59	178.8	0	0	0	107.5	L73 I82 L85 W90 I160 G161 I162 A163	L73-L204 HydrophobicContact CD1-CB 4.19Å; L73-L204 HydrophobicContact CD1-CD2 3.9Å; L73-L204 HydrophobicContact CD1-CG 4.45Å; I82-L204 HydrophobicContact CG2-CD1 3.64Å; L85-L204 HydrophobicContact CD2-CD2 4.08Å; W90-L204 HydrophobicContact CH2-CD2 3.76Å; W90-L204 HydrophobicContact CZ3-CD2 3.99Å; I160-L204 HydrophobicContact CG2-CD1 4.27Å; G161-L204 PolarHBondContact O-N 3.39Å; I162-L204 WeakPolarHBondContact CA-O 3.42Å; I162-L204 HydrophobicContact CG1-CB 4.36Å; I162-L204 HydrophobicContact CG1-CD1 4.27Å; I162-L204 HydrophobicContact CG2-CB 4.48Å; A163-L204 PolarHBondContact N-O 3.29Å
205	L	94.3	Very high	86.6	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	102	-174.8	-49.9	-176	0	0	0	109.2	Y70 L71 R72 L73 A163 W165 I168 L174 L196 F203	Y70-L205 HydrophobicContact CD2-CD1 4.01Å; L71-L205 PolarHBondContact O-N 2.88Å; R72-L205 CarbonylContact C-O 3.55Å; R72-L205 VanDerWaalsContact CA-O 3.3Å; R72-L205 WeakPolarHBondContact CA-O 3.23Å; L73-L205 PolarHBondContact N-O 3.34Å; A163-L205 HydrophobicContact CB-CD2 4.1Å; A163-L205 CarbonylContact O-C 3.55Å; A163-L205 VanDerWaalsContact O-CA 3.3Å; A163-L205 WeakPolarHBondContact O-CA 3.42Å; W165-L205 HydrophobicContact CE3-CB 4.03Å; W165-L205 HydrophobicContact CE3-CD1 3.75Å; W165-L205 HydrophobicContact CZ3-CD1 3.75Å; I168-L205 HydrophobicContact CD1-CB 4.32Å; I168-L205 HydrophobicContact CD1-CD1 3.9Å; I168-L205 HydrophobicContact CD1-CD2 3.59Å; I168-L205 HydrophobicContact CD1-CG 4.14Å; L174-L205 HydrophobicContact CD1-CD1 3.96Å; L196-L205 HydrophobicContact CD2-CD2 4.04Å; F203-L205 HydrophobicContact CB-CD2 3.82Å; F203-L205 HydrophobicContact CB-CG 4.41Å
206	V	94.1	Very high	86.5	Confident	1 Å²	1	23.4 Å²	23.4	1%	0.006	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	125.9	-172.3	-175.8	0	0	0	0	110.6	L73 I162 A163 P164 W165 A216 E217 V220	L73-V206 CarbonylContact O-C 3.45Å; L73-V206 WeakPolarHBondContact O-CA 3.38Å; I162-V206 HydrophobicContact CG2-CG2 3.84Å; A163-V206 PolarHBondContact O-N 2.77Å; P164-V206 CarbonylContact C-O 3.11Å; P164-V206 WeakPolarHBondContact CA-O 3.23Å; W165-V206 WeakPolarHBondContact CB-O 3.45Å; W165-V206 PolarHBondContact N-O 3.41Å; V206-A216 HydrophobicContact CG1-CB 4.01Å; V206-E217 HydrophobicContact CB-CB 4.41Å; V206-E217 HydrophobicContact CG2-CB 4.4Å; V206-V220 HydrophobicContact CG1-CB 4.36Å; V206-V220 HydrophobicContact CG1-CG2 3.59Å; V206-V220 HydrophobicContact CG2-CB 4.07Å; V206-V220 HydrophobicContact CG2-CG1 4.22Å; V206-V220 HydrophobicContact CG2-CG2 4.1Å
207	D	92.4	Very high	86.6	Confident	18 Å²	18	24.5 Å²	24.5	10%	0.096	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	131.9	-179	-167.2	17.6	0	0	0	111.7	R72 L73 Y75 W165 G209	R72-D207 HydrophobicContact CG-CB 4.3Å; R72-D207 IonicContact CZ-OD2 3.71Å; R72-D207 IonicContact NE-OD2 2.66Å; R72-D207 PolarHBondContact NE-OD2 3.24Å; R72-D207 IonicContact NH2-OD2 3.61Å; R72-D207 PolarHBondContact NH2-OD2 2.66Å; L73-D207 PolarHBondContact O-N 3.3Å; Y75-D207 PolarHBondContact N-O 2.94Å; W165-D207 HydrophobicContact CB-CB 3.86Å; W165-D207 HydrophobicContact CG-CB 4.18Å; D207-G209 PolarHBondContact OD1-N 3.15Å
208	D	89.4	Confident	86.8	Confident	22 Å²	22	25 Å²	25	12%	0.118	15%	0.151	C	C	.	.			trans	-118.9	12	173.3	67.9	-8	0	0	0	111.5	V42 Y75 T210 A216	V42-D208 HydrophobicContact CG1-CB 4.14Å; V42-D208 WeakPolarHBondContact CG1-O 3.28Å; Y75-D208 HydrophobicContact CD1-CB 4.12Å; Y75-D208 HydrophobicContact CG-CB 4.26Å; D208-T210 VanDerWaalsContact CG-OG1 3.24Å; D208-T210 PolarHBondContact O-N 3.48Å; D208-T210 WeakPolarHBondContact OD1-CA 3.12Å; D208-T210 VanDerWaalsContact OD1-CB 3.28Å; D208-T210 WeakPolarHBondContact OD1-CB 3.23Å; D208-T210 PolarHBondContact OD1-N 3.43Å; D208-T210 PolarHBondContact OD1-OG1 3.25Å; D208-T210 PolarHBondContact OD2-OG1 3.37Å; D208-A216 HydrophobicContact CB-CB 3.81Å
209	G	86.2	Confident	87.1	Confident	19 Å²	19	26.1 Å²	26.1	20%	0.196	16%	0.164	C	C	.	.	S	Bend	trans	75.7	-6.3	-176.2	0	0	0	0	0	114.5	D207	D207-G209 PolarHBondContact OD1-N 3.15Å
210	T	88	Confident	87.9	Confident	4 Å²	4	25.5 Å²	25.5	3%	0.025	16%	0.157	C	C	.	.			trans	-83.6	151.8	176.9	73.3	0	0	0	0	112.1	C15 W40 V42 G166 D208	C15-T210 CarbonylContact O-C 3.51Å; C15-T210 WeakPolarHBondContact O-CA 3.42Å; W40-T210 HydrophobicContact CH2-CG2 3.3Å; W40-T210 HydrophobicContact CZ2-CG2 4.33Å; W40-T210 HydrophobicContact CZ3-CG2 3.7Å; V42-T210 HydrophobicContact CG2-CG2 4.41Å; G166-T210 WeakPolarHBondContact CA-O 3.37Å; D208-T210 VanDerWaalsContact CG-OG1 3.24Å; D208-T210 PolarHBondContact O-N 3.48Å; D208-T210 WeakPolarHBondContact OD1-CA 3.12Å; D208-T210 VanDerWaalsContact OD1-CB 3.28Å; D208-T210 WeakPolarHBondContact OD1-CB 3.23Å; D208-T210 PolarHBondContact OD1-N 3.43Å; D208-T210 PolarHBondContact OD1-OG1 3.25Å; D208-T210 PolarHBondContact OD2-OG1 3.37Å
211	L	87.5	Confident	88.2	Confident	55 Å²	55	25.8 Å²	25.8	29%	0.288	16%	0.158	S	C	.	.	S	Bend	trans	-119.3	123.6	176.2	-166.5	121	0	0	0	110.1	C15 R17 F193	C15-L211 PolarHBondContact O-N 2.95Å; R17-L211 HydrophobicContact CG-CB 4.24Å; R17-L211 HydrophobicContact CG-CD1 4.37Å; F193-L211 HydrophobicContact CE1-CD2 4.11Å; F193-L211 HydrophobicContact CE1-CG 4.1Å; F193-L211 HydrophobicContact CZ-CD2 3.72Å; F193-L211 HydrophobicContact CZ-CG 4.23Å
212	G	82.1	Confident	88.3	Confident	31 Å²	31	27.6 Å²	27.6	32%	0.32	16%	0.161	S	C	.	.	S	Bend	trans	77.4	15.8	179.6	0	0	0	0	0	115.6	G166	G166-G212 PolarHBondContact O-N 3.27Å
213	R	82.3	Confident	88.3	Confident	131 Å²	131	32.5 Å²	32.5	49%	0.494	18%	0.183	S	C	.	.			trans	-108.5	146.4	169.6	-57.8	-175.1	-179.2	-176.3	1.8	109.7	G14	G14-R213 PolarHBondContact O-NH2 2.67Å
214	S	78.9	Confident	88.2	Confident	76 Å²	76	32.6 Å²	32.6	53%	0.531	18%	0.183	S	C	.	.			trans	-106.2	151.6	172.4	57.9	0	0	0	0	109.8
215	G	81.1	Confident	88	Confident	27 Å²	27	33.1 Å²	33.1	28%	0.278	19%	0.185	S	C	.	.			trans	131.7	-21	172.8	0	0	0	0	0	114.4	E217 I218	G215-E217 VanDerWaalsContact C-OE2 3.28Å; G215-E217 WeakPolarHBondContact CA-OE2 3.42Å; G215-E217 PolarHBondContact N-OE2 3.24Å; G215-E217 PolarHBondContact O-N 3.04Å; G215-I218 WeakPolarHBondContact O-CB 3.43Å; G215-I218 PolarHBondContact O-N 3.3Å; G215-I218 VanDerWaalsContact O-N 3.1Å
216	A	84.9	Confident	87.8	Confident	9 Å²	9	35.5 Å²	35.5	7%	0.074	21%	0.205	C	C	.	.	H	α-helix	trans	-56.7	-42.4	176.4	0	0	0	0	0	111.6	V206 D208 I218 A219	V206-A216 HydrophobicContact CG1-CB 4.01Å; D208-A216 HydrophobicContact CB-CB 3.81Å; A216-I218 VanDerWaalsContact C-N 3.28Å; A216-I218 PolarHBondContact O-N 3.27Å; A216-A219 PolarHBondContact O-N 3.08Å
217	E	88.3	Confident	87.7	Confident	24 Å²	24	37.4 Å²	37.4	11%	0.112	21%	0.213	C	C	.	.	H	α-helix	trans	-64	-30	178.6	76	-74.6	-172.4	0	0	113.2	I162 P164 V206 G215 R221	I162-E217 HydrophobicContact CG2-CB 4.07Å; P164-E217 VanDerWaalsContact CB-OE2 3.3Å; P164-E217 WeakPolarHBondContact CB-OE2 3.37Å; P164-E217 HydrophobicContact CG-CG 4.39Å; P164-E217 WeakPolarHBondContact CG-OE2 3.46Å; V206-E217 HydrophobicContact CB-CB 4.41Å; V206-E217 HydrophobicContact CG2-CB 4.4Å; G215-E217 VanDerWaalsContact C-OE2 3.28Å; G215-E217 WeakPolarHBondContact CA-OE2 3.42Å; G215-E217 PolarHBondContact N-OE2 3.24Å; G215-E217 PolarHBondContact O-N 3.04Å; E217-R221 WeakPolarHBondContact O-CB 3.36Å; E217-R221 PolarHBondContact O-N 3.24Å
218	I	86.9	Confident	87.6	Confident	23 Å²	23	36.5 Å²	36.5	12%	0.118	21%	0.209	C	C	.	.	H	α-helix	trans	-69.1	-40.2	-176.2	-59.6	176.7	0	0	0	110.2	G215 A216 R222 L252	G215-I218 WeakPolarHBondContact O-CB 3.43Å; G215-I218 PolarHBondContact O-N 3.3Å; G215-I218 VanDerWaalsContact O-N 3.1Å; A216-I218 VanDerWaalsContact C-N 3.28Å; A216-I218 PolarHBondContact O-N 3.27Å; I218-R222 HydrophobicContact CG2-CG 4.37Å; I218-R222 VanDerWaalsContact CG2-NE 3.34Å; I218-R222 WeakPolarHBondContact O-CB 3.38Å; I218-R222 WeakPolarHBondContact O-CG 3.43Å; I218-R222 PolarHBondContact O-N 3.05Å; I218-L252 HydrophobicContact CD1-CB 4.34Å; I218-L252 HydrophobicContact CD1-CD1 3.93Å; I218-L252 HydrophobicContact CD1-CD2 4.31Å; I218-L252 HydrophobicContact CD1-CG 4.42Å
219	A	87.1	Confident	87.4	Confident	43 Å²	43	36 Å²	36	36%	0.355	21%	0.206	S	C	.	.	H	α-helix	trans	-64.8	-47.4	179	0	0	0	0	0	111.7	A216 R222 K223	A216-A219 PolarHBondContact O-N 3.08Å; A219-R222 PolarHBondContact O-N 3.02Å; A219-K223 WeakPolarHBondContact O-CG 3.45Å; A219-K223 PolarHBondContact O-N 2.89Å; A219-K223 VanDerWaalsContact O-N 3.11Å
220	V	91.7	Very high	87.4	Confident	2 Å²	2	41 Å²	41	1%	0.012	22%	0.224	C	C	.	.	H	α-helix	trans	-64.8	-45.2	177.1	175.7	0	0	0	0	110.8	Y75 I82 V206 R222 K223 F224	Y75-V220 WeakPolarHBondContact O-CG2 3.31Å; I82-V220 HydrophobicContact CD1-CG1 3.77Å; V206-V220 HydrophobicContact CG1-CB 4.36Å; V206-V220 HydrophobicContact CG1-CG2 3.59Å; V206-V220 HydrophobicContact CG2-CB 4.07Å; V206-V220 HydrophobicContact CG2-CG1 4.22Å; V206-V220 HydrophobicContact CG2-CG2 4.1Å; V220-R222 PolarHBondContact O-N 3.41Å; V220-K223 PolarHBondContact O-N 3.45Å; V220-F224 VanDerWaalsContact O-CB 3.31Å; V220-F224 WeakPolarHBondContact O-CB 3.25Å; V220-F224 PolarHBondContact O-N 3.43Å
221	R	91.8	Very high	87.2	Confident	10 Å²	10	43.7 Å²	43.7	4%	0.038	24%	0.236	C	C	.	.	H	α-helix	trans	-59.4	-44.1	178.2	-178.4	169.5	176.5	177.2	-3.5	112	I101 Y102 I134 I162 E217 F224 E225	I101-R221 PolarHBondContact O-NH1 3.42Å; I101-R221 VanDerWaalsContact O-NH1 3.08Å; I101-R221 PolarHBondContact O-NH2 3.02Å; Y102-R221 PolarHBondContact OH-NE 2.9Å; I134-R221 PolarHBondContact O-NH2 3.44Å; I162-R221 HydrophobicContact CD1-CB 4.04Å; I162-R221 HydrophobicContact CD1-CG 4.03Å; E217-R221 WeakPolarHBondContact O-CB 3.36Å; E217-R221 PolarHBondContact O-N 3.24Å; R221-F224 PolarHBondContact O-N 3.48Å; R221-E225 HydrophobicContact CG-CG 4.25Å; R221-E225 VanDerWaalsContact CG-OE1 3.3Å; R221-E225 WeakPolarHBondContact CG-OE1 3.46Å; R221-E225 IonicContact CZ-OE1 2.92Å; R221-E225 IonicContact NE-OE1 2.8Å; R221-E225 PolarHBondContact NE-OE1 3Å; R221-E225 IonicContact NH2-OE1 3.65Å; R221-E225 PolarHBondContact NH2-OE1 3.09Å; R221-E225 WeakPolarHBondContact O-CB 3.21Å; R221-E225 VanDerWaalsContact O-CG 3.24Å; R221-E225 WeakPolarHBondContact O-CG 3.44Å; R221-E225 PolarHBondContact O-N 3.31Å
222	R	88.5	Confident	86.9	Confident	82 Å²	82	44.8 Å²	44.8	31%	0.309	25%	0.245	S	C	.	.	H	α-helix	trans	-61.7	-47.5	175.8	-75.4	171.7	-176.8	-175	-1.1	112.6	I218 A219 V220 F224 E225 A226 H255 S256	I218-R222 HydrophobicContact CG2-CG 4.37Å; I218-R222 VanDerWaalsContact CG2-NE 3.34Å; I218-R222 WeakPolarHBondContact O-CB 3.38Å; I218-R222 WeakPolarHBondContact O-CG 3.43Å; I218-R222 PolarHBondContact O-N 3.05Å; A219-R222 PolarHBondContact O-N 3.02Å; V220-R222 PolarHBondContact O-N 3.41Å; R222-F224 VanDerWaalsContact C-N 3.29Å; R222-F224 PolarHBondContact O-N 3.15Å; R222-E225 PolarHBondContact O-N 2.92Å; R222-A226 VanDerWaalsContact O-CB 3.31Å; R222-A226 WeakPolarHBondContact O-CB 3.35Å; R222-A226 PolarHBondContact O-N 2.76Å; R222-H255 PolarHBondContact NH2-CD2 3.42Å; R222-S256 PolarHBondContact NH2-OG 3.3Å; R222-S256 VanDerWaalsContact NH2-OG 3.09Å
223	K	90.3	Very high	86.3	Confident	105 Å²	105	44.4 Å²	44.4	46%	0.457	24%	0.235	S	C	.	.	H	α-helix	trans	-60.4	-41.8	176.6	-73.2	179.6	179.6	-179.9	0	111.4	A219 V220 F227	A219-K223 WeakPolarHBondContact O-CG 3.45Å; A219-K223 PolarHBondContact O-N 2.89Å; A219-K223 VanDerWaalsContact O-N 3.11Å; V220-K223 PolarHBondContact O-N 3.45Å; K223-F227 WeakPolarHBondContact O-CB 3.32Å; K223-F227 PolarHBondContact O-N 2.61Å
224	F	92.6	Very high	85.3	Confident	1 Å²	1	43 Å²	43	0%	0.004	24%	0.237	C	C	.	.	H	α-helix	trans	-68.4	-46.9	179	-170.8	-118.8	0	0	0	111.8	P79 I82 L86 I134 V220 R221 R222 A226 F227 L228	P79-F224 HydrophobicContact CB-CD2 3.97Å; I82-F224 HydrophobicContact CB-CD2 4.01Å; I82-F224 HydrophobicContact CB-CE2 3.85Å; I82-F224 HydrophobicContact CD1-CD2 4.33Å; I82-F224 HydrophobicContact CG2-CD2 3.87Å; I82-F224 HydrophobicContact CG2-CE1 4.38Å; I82-F224 HydrophobicContact CG2-CE2 3.52Å; I82-F224 HydrophobicContact CG2-CG 4.47Å; I82-F224 HydrophobicContact CG2-CZ 3.81Å; L86-F224 HydrophobicContact CD1-CE1 4.17Å; L86-F224 HydrophobicContact CD1-CE2 4.47Å; L86-F224 HydrophobicContact CD1-CZ 3.59Å; I134-F224 HydrophobicContact CD1-CD1 4.16Å; I134-F224 HydrophobicContact CD1-CE1 4.04Å; V220-F224 VanDerWaalsContact O-CB 3.31Å; V220-F224 WeakPolarHBondContact O-CB 3.25Å; V220-F224 PolarHBondContact O-N 3.43Å; R221-F224 PolarHBondContact O-N 3.48Å; R222-F224 VanDerWaalsContact C-N 3.29Å; R222-F224 PolarHBondContact O-N 3.15Å; F224-A226 VanDerWaalsContact C-N 3.33Å; F224-A226 PolarHBondContact O-N 2.77Å; F224-F227 WeakPolarHBondContact O-CB 3.46Å; F224-F227 PolarHBondContact O-N 3.2Å; F224-F227 VanDerWaalsContact O-N 3.17Å; F224-L228 HydrophobicContact CD1-CD1 3.91Å; F224-L228 HydrophobicContact CD1-CG 4.37Å; F224-L228 HydrophobicContact CE1-CD1 3.58Å; F224-L228 HydrophobicContact CE1-CD2 4.39Å; F224-L228 HydrophobicContact CE1-CG 4.14Å; F224-L228 HydrophobicContact CE2-CD2 4.12Å; F224-L228 HydrophobicContact CE2-CG 4.31Å; F224-L228 HydrophobicContact CZ-CD1 3.95Å; F224-L228 HydrophobicContact CZ-CD2 3.89Å; F224-L228 HydrophobicContact CZ-CG 4.09Å; F224-L228 WeakPolarHBondContact O-CB 3.31Å; F224-L228 VanDerWaalsContact O-CG 3.25Å; F224-L228 WeakPolarHBondContact O-CG 3.45Å; F224-L228 PolarHBondContact O-N 2.93Å
225	E	90.7	Very high	84.2	Confident	12 Å²	12	47.8 Å²	47.8	6%	0.056	26%	0.257	C	S	.	.	H	α-helix	trans	-58.9	-42.7	175.1	-72.3	173	176.2	0	0	111.5	T100 Y102 R221 R222 L228 T229 I242	T100-E225 VanDerWaalsContact CB-OE1 3.31Å; T100-E225 WeakPolarHBondContact CB-OE1 3.41Å; T100-E225 HydrophobicContact CG2-CG 3.81Å; T100-E225 WeakPolarHBondContact CG2-OE1 3.2Å; Y102-E225 PolarHBondContact OH-OE1 3.24Å; Y102-E225 PolarHBondContact OH-OE2 3.26Å; R221-E225 HydrophobicContact CG-CG 4.25Å; R221-E225 VanDerWaalsContact CG-OE1 3.3Å; R221-E225 WeakPolarHBondContact CG-OE1 3.46Å; R221-E225 IonicContact CZ-OE1 2.92Å; R221-E225 IonicContact NE-OE1 2.8Å; R221-E225 PolarHBondContact NE-OE1 3Å; R221-E225 IonicContact NH2-OE1 3.65Å; R221-E225 PolarHBondContact NH2-OE1 3.09Å; R221-E225 WeakPolarHBondContact O-CB 3.21Å; R221-E225 VanDerWaalsContact O-CG 3.24Å; R221-E225 WeakPolarHBondContact O-CG 3.44Å; R221-E225 PolarHBondContact O-N 3.31Å; R222-E225 PolarHBondContact O-N 2.92Å; E225-L228 PolarHBondContact O-N 2.87Å; E225-T229 PolarHBondContact O-N 3.41Å; E225-T229 VanDerWaalsContact O-N 3.1Å; E225-I242 WeakPolarHBondContact O-CD1 3.47Å
226	A	88.9	Confident	83.1	Confident	50 Å²	50	48.6 Å²	48.6	41%	0.413	26%	0.258	S	S	.	.	H	α-helix	trans	-67.5	-32.7	175.6	0	0	0	0	0	113.6	R222 F224 T229	R222-A226 VanDerWaalsContact O-CB 3.31Å; R222-A226 WeakPolarHBondContact O-CB 3.35Å; R222-A226 PolarHBondContact O-N 2.76Å; F224-A226 VanDerWaalsContact C-N 3.33Å; F224-A226 PolarHBondContact O-N 2.77Å; A226-T229 PolarHBondContact O-OG1 2.98Å
227	F	91.2	Very high	82.1	Confident	41 Å²	41	54 Å²	54	18%	0.18	30%	0.295	C	S	.	.	H	α-helix	trans	-68.3	-42.4	172	169.9	-94.9	0	0	0	111.3	P79 N80 W83 K223 F224 T229 Q230 K231	P79-F227 HydrophobicContact CB-CB 3.58Å; P79-F227 HydrophobicContact CB-CD1 4.16Å; P79-F227 HydrophobicContact CB-CD2 4.24Å; P79-F227 HydrophobicContact CB-CG 3.74Å; P79-F227 HydrophobicContact CG-CB 3.84Å; P79-F227 HydrophobicContact CG-CD2 4.15Å; P79-F227 HydrophobicContact CG-CG 4.08Å; N80-F227 HydrophobicContact CB-CE2 4.17Å; N80-F227 HydrophobicContact CB-CZ 4.28Å; W83-F227 HydrophobicContact CB-CE1 3.76Å; W83-F227 HydrophobicContact CB-CZ 4.22Å; W83-F227 HydrophobicContact CD2-CE1 4.42Å; W83-F227 HydrophobicContact CG-CE1 4.1Å; W83-F227 HydrophobicContact CG-CZ 4.45Å; K223-F227 WeakPolarHBondContact O-CB 3.32Å; K223-F227 PolarHBondContact O-N 2.61Å; F224-F227 WeakPolarHBondContact O-CB 3.46Å; F224-F227 PolarHBondContact O-N 3.2Å; F224-F227 VanDerWaalsContact O-N 3.17Å; F227-T229 VanDerWaalsContact C-N 3.3Å; F227-T229 PolarHBondContact O-N 2.69Å; F227-Q230 PolarHBondContact O-N 3.19Å; F227-Q230 VanDerWaalsContact O-N 3.15Å; F227-K231 HydrophobicContact CE1-CD 4.32Å; F227-K231 HydrophobicContact CZ-CD 4.15Å; F227-K231 PolarHBondContact O-N 2.91Å
228	L	90.7	Very high	81.3	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-63	-34.3	179.6	-73.7	-175.4	0	0	0	111.9	W83 V98 I134 F224 E225 Q230 K231 M240 I242	W83-L228 HydrophobicContact CE3-CD2 3.91Å; W83-L228 HydrophobicContact CZ3-CD2 4.06Å; V98-L228 HydrophobicContact CG1-CD1 4.24Å; V98-L228 HydrophobicContact CG2-CD1 4.41Å; I134-L228 HydrophobicContact CD1-CD1 3.93Å; F224-L228 HydrophobicContact CD1-CD1 3.91Å; F224-L228 HydrophobicContact CD1-CG 4.37Å; F224-L228 HydrophobicContact CE1-CD1 3.58Å; F224-L228 HydrophobicContact CE1-CD2 4.39Å; F224-L228 HydrophobicContact CE1-CG 4.14Å; F224-L228 HydrophobicContact CE2-CD2 4.12Å; F224-L228 HydrophobicContact CE2-CG 4.31Å; F224-L228 HydrophobicContact CZ-CD1 3.95Å; F224-L228 HydrophobicContact CZ-CD2 3.89Å; F224-L228 HydrophobicContact CZ-CG 4.09Å; F224-L228 WeakPolarHBondContact O-CB 3.31Å; F224-L228 VanDerWaalsContact O-CG 3.25Å; F224-L228 WeakPolarHBondContact O-CG 3.45Å; F224-L228 PolarHBondContact O-N 2.93Å; E225-L228 PolarHBondContact O-N 2.87Å; L228-Q230 PolarHBondContact O-N 3.34Å; L228-K231 PolarHBondContact O-N 3.13Å; L228-M240 HydrophobicContact CB-CE 3.36Å; L228-M240 HydrophobicContact CD1-CE 4.14Å; L228-M240 HydrophobicContact CD2-CE 3.56Å; L228-M240 HydrophobicContact CG-CE 3.82Å; L228-M240 VanDerWaalsContact O-CE 3.25Å; L228-M240 WeakPolarHBondContact O-CE 3.43Å; L228-I242 HydrophobicContact CB-CD1 3.42Å; L228-I242 VanDerWaalsContact CB-CD1 3.42Å
229	T	85.4	Confident	81	Confident	11 Å²	11	57.7 Å²	57.7	7%	0.067	31%	0.311	C	S	.	.	H	α-helix	trans	-66.5	-25.7	176.7	55.2	0	0	0	0	113.1	E225 A226 F227 I242 V267	E225-T229 PolarHBondContact O-N 3.41Å; E225-T229 VanDerWaalsContact O-N 3.1Å; A226-T229 PolarHBondContact O-OG1 2.98Å; F227-T229 VanDerWaalsContact C-N 3.3Å; F227-T229 PolarHBondContact O-N 2.69Å; T229-I242 HydrophobicContact CG2-CB 4.37Å; T229-I242 HydrophobicContact CG2-CD1 3.54Å; T229-I242 HydrophobicContact CG2-CG1 4.01Å; T229-V267 HydrophobicContact CG2-CG2 3.82Å
230	Q	85.6	Confident	80.8	Confident	124 Å²	124	55.8 Å²	55.8	58%	0.579	30%	0.295	S	S	*	.	H	α-helix	trans	-91.2	-11.2	178.7	-62.8	178	3.9	0	0	113	F227 L228 L239 I265	F227-Q230 PolarHBondContact O-N 3.19Å; F227-Q230 VanDerWaalsContact O-N 3.15Å; L228-Q230 PolarHBondContact O-N 3.34Å; Q230-L239 WeakPolarHBondContact O-CD2 3.37Å; Q230-I265 HydrophobicContact CG-CD1 4.16Å
231	K	85.6	Confident	80.6	Confident	60 Å²	60	55.8 Å²	55.8	26%	0.261	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-77.1	138.2	-177.9	-163.3	67.8	173.3	-177.3	0	111	W83 F227 L228 M240	W83-K231 HydrophobicContact CH2-CG 4.35Å; W83-K231 HydrophobicContact CZ2-CG 4.44Å; F227-K231 HydrophobicContact CE1-CD 4.32Å; F227-K231 HydrophobicContact CZ-CD 4.15Å; F227-K231 PolarHBondContact O-N 2.91Å; L228-K231 PolarHBondContact O-N 3.13Å; K231-M240 PolarHBondContact O-N 2.82Å
232	T	80.1	Confident	80.5	Confident	78 Å²	78	55.5 Å²	55.5	48%	0.479	29%	0.294	S	S	.	.	B	Isolated β-bridge	trans	-85	147.8	177	53.7	0	0	0	0	112.6	S236 R238	T232-S236 WeakPolarHBondContact CB-O 3.34Å; T232-R238 CarbonylContact C-O 3.59Å; T232-R238 VanDerWaalsContact CA-O 3.29Å; T232-R238 WeakPolarHBondContact CA-O 3.43Å
233	M	70.3	Confident	80.6	Confident	24 Å²	24	51.6 Å²	51.6	12%	0.118	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-83.9	123	176.4	-66	-96.9	-86.3	0	0	109.6	P95 K96 N235 S236 R238 M240	P95-M233 VanDerWaalsContact O-SD 3.38Å; K96-M233 VanDerWaalsContact CA-CE 3.46Å; K96-M233 HydrophobicContact CB-CE 3.85Å; K96-M233 HydrophobicContact CG-CE 4.11Å; K96-M233 WeakPolarHBondContact O-CE 3.45Å; M233-N235 PolarHBondContact O-N 3.24Å; M233-S236 WeakPolarHBondContact O-CA 3.32Å; M233-S236 WeakPolarHBondContact O-CB 3.48Å; M233-S236 PolarHBondContact O-N 2.82Å; M233-S236 PolarHBondContact O-OG 2.81Å; M233-R238 PolarHBondContact N-O 2.83Å; M233-M240 HydrophobicContact CG-CB 4.11Å; M233-M240 HydrophobicContact CG-CG 4.46Å; M233-M240 HydrophobicContact SD-CB 4.16Å; M233-M240 HydrophobicContact SD-CG 3.86Å
234	N	60.4	Low	80.6	Confident	100 Å²	100	46.6 Å²	46.6	54%	0.535	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	21.6	90.3	168	-71	-8	0	0	0	116.5	S236	N234-S236 PolarHBondContact O-N 3.26Å; N234-S236 PolarHBondContact O-OG 2.81Å
235	N	56.2	Low	80.5	Confident	178 Å²	178	46.5 Å²	46.5	95%	0.952	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.5	11.4	179.3	-73.4	-1.2	0	0	0	116.2	M233	M233-N235 PolarHBondContact O-N 3.24Å
236	S	58.9	Low	80.3	Confident	44 Å²	44	46.1 Å²	46.1	31%	0.308	26%	0.256	S	S	.	.	S	Bend	trans	-103.4	141.9	179.3	-48.5	0	0	0	0	106.3	T232 M233 N234 R238	T232-S236 WeakPolarHBondContact CB-O 3.34Å; M233-S236 WeakPolarHBondContact O-CA 3.32Å; M233-S236 WeakPolarHBondContact O-CB 3.48Å; M233-S236 PolarHBondContact O-N 2.82Å; M233-S236 PolarHBondContact O-OG 2.81Å; N234-S236 PolarHBondContact O-N 3.26Å; N234-S236 PolarHBondContact O-OG 2.81Å; S236-R238 PolarHBondContact O-N 2.91Å
237	S	62.8	Low	80	Confident	121 Å²	121	43.7 Å²	43.7	85%	0.846	24%	0.236	S	C	*	.	S	Bend	trans	-67.2	8.9	176.7	50.2	0	0	0	0	114
238	R	71.9	Confident	79.4	Confident	57 Å²	57	41.8 Å²	41.8	22%	0.215	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-96.1	135.8	-170.9	-63.7	-177.2	-175.4	146.6	0.3	111.7	T232 M233 S236 S355 Q387	T232-R238 CarbonylContact C-O 3.59Å; T232-R238 VanDerWaalsContact CA-O 3.29Å; T232-R238 WeakPolarHBondContact CA-O 3.43Å; M233-R238 PolarHBondContact N-O 2.83Å; S236-R238 PolarHBondContact O-N 2.91Å; R238-S355 PolarHBondContact NE-OG 2.83Å; R238-S355 VanDerWaalsContact NH1-CB 3.3Å; R238-S355 PolarHBondContact NH1-OG 2.95Å; R238-S355 VanDerWaalsContact NH2-CB 3.35Å; R238-S355 PolarHBondContact NH2-OG 2.91Å; R238-Q387 VanDerWaalsContact NH1-NE2 3.14Å; R238-Q387 VanDerWaalsContact NH2-NE2 3.15Å
239	L	79.3	Confident	78.8	Confident	68 Å²	68	41.8 Å²	41.8	36%	0.356	23%	0.228	S	C	.	.	B	Isolated β-bridge	trans	-74.8	143.4	178.3	-62.5	175.1	0	0	0	112.1	Q230 I265 R346	Q230-L239 WeakPolarHBondContact O-CD2 3.37Å; L239-I265 HydrophobicContact CD1-CD1 4.32Å; L239-R346 PolarHBondContact O-NH1 3.47Å
240	M	84.7	Confident	78.4	Confident	4 Å²	4	43 Å²	43	2%	0.02	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-66.5	130.9	-179.8	-170.4	171.2	65.1	0	0	111.8	P95 V98 L228 K231 M233 I242 R346	P95-M240 HydrophobicContact CG-SD 3.6Å; V98-M240 HydrophobicContact CG2-CE 3.53Å; V98-M240 HydrophobicContact CG2-CG 4.26Å; V98-M240 HydrophobicContact CG2-SD 3.68Å; L228-M240 HydrophobicContact CB-CE 3.36Å; L228-M240 HydrophobicContact CD1-CE 4.14Å; L228-M240 HydrophobicContact CD2-CE 3.56Å; L228-M240 HydrophobicContact CG-CE 3.82Å; L228-M240 VanDerWaalsContact O-CE 3.25Å; L228-M240 WeakPolarHBondContact O-CE 3.43Å; K231-M240 PolarHBondContact O-N 2.82Å; M233-M240 HydrophobicContact CG-CB 4.11Å; M233-M240 HydrophobicContact CG-CG 4.46Å; M233-M240 HydrophobicContact SD-CB 4.16Å; M233-M240 HydrophobicContact SD-CG 3.86Å; M240-I242 HydrophobicContact CE-CD1 4.49Å; M240-R346 PolarHBondContact O-NH2 3.02Å
241	P	86.8	Confident	78.2	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.006	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-77.5	130.7	177.5	27.8	-28.6	0	0	0	111.3	K96 L97 V98 L342 W360	K96-P241 WeakPolarHBondContact O-CD 3.48Å; K96-P241 WeakPolarHBondContact O-CG 3.37Å; L97-P241 HydrophobicContact CD1-CB 4.16Å; L97-P241 HydrophobicContact CD1-CG 4.13Å; V98-P241 PolarHBondContact N-O 2.72Å; P241-L342 HydrophobicContact CB-CD2 3.93Å; P241-W360 HydrophobicContact CB-CZ2 3.81Å; P241-W360 HydrophobicContact CG-CZ2 3.58Å
242	I	89.9	Confident	77.9	Confident	4 Å²	4	49.6 Å²	49.6	2%	0.021	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	136.8	175	-50.4	-166.6	0	0	0	108.2	V98 T100 E225 L228 T229 M240 V267 P268 L342	V98-I242 HydrophobicContact CB-CG1 4.13Å; V98-I242 HydrophobicContact CB-CG2 4.36Å; V98-I242 HydrophobicContact CG1-CG2 4.4Å; V98-I242 WeakPolarHBondContact O-CA 3.34Å; T100-I242 HydrophobicContact CG2-CG2 3.84Å; E225-I242 WeakPolarHBondContact O-CD1 3.47Å; L228-I242 HydrophobicContact CB-CD1 3.42Å; L228-I242 VanDerWaalsContact CB-CD1 3.42Å; T229-I242 HydrophobicContact CG2-CB 4.37Å; T229-I242 HydrophobicContact CG2-CD1 3.54Å; T229-I242 HydrophobicContact CG2-CG1 4.01Å; M240-I242 HydrophobicContact CE-CD1 4.49Å; I242-V267 HydrophobicContact CB-CG1 4.35Å; I242-V267 HydrophobicContact CG2-CG1 4.12Å; I242-P268 WeakPolarHBondContact O-CD 3.14Å; I242-L342 VanDerWaalsContact O-CD2 3.29Å; I242-L342 WeakPolarHBondContact O-CD2 3.08Å
243	V	90.4	Very high	77.9	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	137.5	174.5	63.2	0	0	0	0	109.4	L97 V98 I99 T100 P268 V270 I338 L342	L97-V243 HydrophobicContact CD1-CG1 4.49Å; V98-V243 PolarHBondContact O-N 3.17Å; I99-V243 HydrophobicContact CB-CG1 4.15Å; I99-V243 HydrophobicContact CG1-CG1 3.76Å; I99-V243 HydrophobicContact CG2-CG1 4.16Å; T100-V243 PolarHBondContact N-O 3.23Å; T100-V243 PolarHBondContact OG1-O 2.83Å; V243-P268 HydrophobicContact CG2-CG 4.42Å; V243-V270 HydrophobicContact CG2-CG2 3.68Å; V243-I338 HydrophobicContact CB-CG2 4.45Å; V243-I338 HydrophobicContact CG1-CG2 3.77Å; V243-I338 HydrophobicContact CG2-CG2 4.32Å; V243-L342 HydrophobicContact CB-CD1 4.29Å; V243-L342 HydrophobicContact CB-CD2 3.85Å; V243-L342 HydrophobicContact CB-CG 4.03Å; V243-L342 HydrophobicContact CG1-CD1 4.48Å; V243-L342 HydrophobicContact CG2-CG 4.48Å
244	L	90.5	Very high	78.4	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	125.8	175.2	171.1	56.8	0	0	0	110.9	T100 Y102 A257 C260 V267 P268 V269 V270	T100-L244 WeakPolarHBondContact O-CD1 3.3Å; T100-L244 WeakPolarHBondContact OG1-CA 3.19Å; T100-L244 WeakPolarHBondContact OG1-CD1 3.3Å; Y102-L244 HydrophobicContact CD2-CD1 3.12Å; Y102-L244 HydrophobicContact CD2-CD2 3.82Å; Y102-L244 HydrophobicContact CD2-CG 4.11Å; Y102-L244 HydrophobicContact CE2-CD1 3.7Å; Y102-L244 HydrophobicContact CE2-CD2 4.18Å; Y102-L244 HydrophobicContact CG-CD1 4.04Å; L244-A257 HydrophobicContact CD2-CB 3.8Å; L244-C260 HydrophobicContact CD2-CB 4.19Å; L244-V267 HydrophobicContact CB-CG1 4.24Å; L244-P268 PolarHBondContact N-O 3.2Å; L244-V269 HydrophobicContact CB-CG2 4.26Å; L244-V269 HydrophobicContact CD2-CG1 4.29Å; L244-V269 HydrophobicContact CD2-CG2 4.03Å; L244-V269 HydrophobicContact CG-CG1 4.29Å; L244-V269 HydrophobicContact CG-CG2 4.43Å; L244-V269 CarbonylContact O-C 3.43Å; L244-V269 WeakPolarHBondContact O-CA 3.42Å; L244-V270 PolarHBondContact O-N 3.46Å
245	L	89.5	Confident	79.5	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	118.6	175.6	-168.5	57.2	0	0	0	110	I99 T100 I101 Y102 F118 L247 V270 L334	I99-L245 HydrophobicContact CG2-CB 4.44Å; I99-L245 HydrophobicContact CG2-CD2 4.42Å; T100-L245 PolarHBondContact O-N 2.63Å; I101-L245 WeakPolarHBondContact CA-O 3.3Å; I101-L245 HydrophobicContact CG1-CB 4.31Å; I101-L245 HydrophobicContact CG1-CD2 4.4Å; Y102-L245 PolarHBondContact N-O 2.66Å; F118-L245 HydrophobicContact CD2-CD2 4.33Å; F118-L245 HydrophobicContact CE2-CD1 4.5Å; F118-L245 HydrophobicContact CE2-CD2 3.22Å; F118-L245 HydrophobicContact CE2-CG 3.93Å; F118-L245 HydrophobicContact CZ-CD2 3.58Å; F118-L245 HydrophobicContact CZ-CG 4.48Å; L245-L247 HydrophobicContact CG-CD1 4.46Å; L245-L247 HydrophobicContact CG-CG 4.45Å; L245-V270 HydrophobicContact CD1-CB 3.64Å; L245-V270 HydrophobicContact CD1-CG1 3.59Å; L245-L334 HydrophobicContact CD1-CD1 4.22Å
246	M	87.2	Confident	80.7	Confident	3 Å²	3	40 Å²	40	2%	0.015	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	116.3	-177.7	-164.7	173.3	175.2	0	0	110.2	A253 M254 A257 V270 L271 C272 A278	M246-A253 HydrophobicContact CE-CB 3.91Å; M246-M254 HydrophobicContact CE-CB 4.04Å; M246-A257 HydrophobicContact SD-CB 4.13Å; M246-V270 PolarHBondContact N-O 3.36Å; M246-L271 HydrophobicContact CB-CD2 3.93Å; M246-L271 HydrophobicContact CG-CD2 4.38Å; M246-L271 HydrophobicContact SD-CD2 3.83Å; M246-C272 WeakPolarHBondContact O-CB 3.43Å; M246-C272 PolarHBondContact O-N 3.17Å; M246-A278 HydrophobicContact CE-CB 3.53Å
247	L	83.4	Confident	81.8	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.199	C	C	.	.			trans	-122.7	118	-178.1	-64.9	159.6	0	0	0	109.3	I101 Y102 G103 F108 F118 L143 L245 G249 C272	I101-L247 HydrophobicContact CG2-CD1 3.6Å; Y102-L247 PolarHBondContact O-N 3.38Å; Y102-L247 VanDerWaalsContact O-N 3.14Å; G103-L247 WeakPolarHBondContact CA-O 2.97Å; F108-L247 HydrophobicContact CE2-CB 4.26Å; F108-L247 HydrophobicContact CZ-CB 4.02Å; F108-L247 WeakPolarHBondContact CZ-O 3.08Å; F118-L247 HydrophobicContact CD2-CD1 4.18Å; F118-L247 HydrophobicContact CD2-CD2 3.92Å; F118-L247 HydrophobicContact CE1-CD1 4.06Å; F118-L247 HydrophobicContact CE2-CD1 3.24Å; F118-L247 HydrophobicContact CE2-CD2 3.63Å; F118-L247 HydrophobicContact CE2-CG 3.93Å; F118-L247 HydrophobicContact CZ-CD1 3.2Å; F118-L247 HydrophobicContact CZ-CD2 4.43Å; F118-L247 HydrophobicContact CZ-CG 4.34Å; L143-L247 HydrophobicContact CD1-CB 4.38Å; L143-L247 HydrophobicContact CD1-CD1 4.08Å; L143-L247 HydrophobicContact CD2-CD1 3.4Å; L143-L247 VanDerWaalsContact CD2-CD1 3.4Å; L143-L247 HydrophobicContact CG-CD1 4.41Å; L245-L247 HydrophobicContact CG-CD1 4.46Å; L245-L247 HydrophobicContact CG-CG 4.45Å; L247-G249 PolarHBondContact O-N 2.86Å; L247-C272 HydrophobicContact CD2-CB 3.41Å; L247-C272 VanDerWaalsContact CD2-CB 3.41Å; L247-C272 VanDerWaalsContact CD2-SG 3.54Å; L247-C272 HydrophobicContact CG-CB 4.45Å
248	G	77.7	Confident	82.6	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.164	C	C	.	.	S	Bend	trans	59.3	-105.3	-173.7	0	0	0	0	0	110.3	S275 G276 A278 A279	G248-S275 WeakPolarHBondContact CA-O 3.46Å; G248-S275 PolarHBondContact N-OG 3.48Å; G248-G276 VanDerWaalsContact CA-O 3.28Å; G248-G276 WeakPolarHBondContact CA-O 3.32Å; G248-A278 PolarHBondContact O-N 3.15Å; G248-A279 WeakPolarHBondContact O-CB 3.4Å; G248-A279 PolarHBondContact O-N 2.89Å
249	G	77.5	Confident	83	Confident	1 Å²	1	34.6 Å²	34.6	1%	0.01	17%	0.171	C	C	.	.			trans	88.8	162.9	173.5	0	0	0	0	0	113.9	L247 R277 A278	L247-G249 PolarHBondContact O-N 2.86Å; G249-R277 WeakPolarHBondContact O-CB 3.05Å; G249-A278 PolarHBondContact O-N 3.43Å
250	G	77.5	Confident	83.1	Confident	35 Å²	35	32 Å²	32	36%	0.361	16%	0.159	S	C	.	.			trans	-121.1	-163.4	170.3	0	0	0	0	0	110.8	L252 A253 M254	G250-L252 PolarHBondContact O-N 2.92Å; G250-A253 PolarHBondContact O-N 2.87Å; G250-A253 VanDerWaalsContact O-N 3.13Å; G250-M254 PolarHBondContact O-N 3.46Å; G250-M254 VanDerWaalsContact O-N 3.12Å
251	R	81.2	Confident	82.8	Confident	227 Å²	227	32.4 Å²	32.4	86%	0.857	16%	0.162	S	C	*	.	H	α-helix	trans	-56.2	-37.9	178.8	-62.6	-177.4	-177.8	-167.5	-0.3	113	M254 H255	R251-M254 PolarHBondContact O-N 3.35Å; R251-H255 WeakPolarHBondContact O-CB 3.47Å; R251-H255 PolarHBondContact O-N 2.85Å
252	L	80.1	Confident	82.4	Confident	96 Å²	96	37.9 Å²	37.9	50%	0.503	18%	0.182	S	C	.	.	H	α-helix	trans	-66.5	-40.4	178.6	-65.8	173.4	0	0	0	112.5	I218 G250 H255 S256	I218-L252 HydrophobicContact CD1-CB 4.34Å; I218-L252 HydrophobicContact CD1-CD1 3.93Å; I218-L252 HydrophobicContact CD1-CD2 4.31Å; I218-L252 HydrophobicContact CD1-CG 4.42Å; G250-L252 PolarHBondContact O-N 2.92Å; L252-H255 PolarHBondContact O-N 2.77Å; L252-S256 WeakPolarHBondContact O-CB 3.5Å; L252-S256 PolarHBondContact O-N 3.38Å; L252-S256 PolarHBondContact O-OG 2.85Å
253	A	80.1	Confident	81.9	Confident	5 Å²	5	39.3 Å²	39.3	4%	0.041	20%	0.195	C	C	.	.	H	α-helix	trans	-65.3	-41.8	176.5	0	0	0	0	0	111	M246 G250 A257	M246-A253 HydrophobicContact CE-CB 3.91Å; G250-A253 PolarHBondContact O-N 2.87Å; G250-A253 VanDerWaalsContact O-N 3.13Å; A253-A257 WeakPolarHBondContact O-CB 3.34Å; A253-A257 PolarHBondContact O-N 2.81Å
254	M	80.4	Confident	81.2	Confident	87 Å²	87	45.4 Å²	45.4	43%	0.429	23%	0.234	S	C	.	.	H	α-helix	trans	-63.2	-48.1	175.7	-167.7	-175	93.1	0	0	111.4	M246 G250 R251 S256 A257 T258	M246-M254 HydrophobicContact CE-CB 4.04Å; G250-M254 PolarHBondContact O-N 3.46Å; G250-M254 VanDerWaalsContact O-N 3.12Å; R251-M254 PolarHBondContact O-N 3.35Å; M254-S256 PolarHBondContact O-N 3.45Å; M254-A257 WeakPolarHBondContact O-CB 3.28Å; M254-A257 PolarHBondContact O-N 3.34Å; M254-T258 PolarHBondContact O-N 3.48Å; M254-T258 PolarHBondContact O-OG1 2.93Å
255	H	82.8	Confident	80.6	Confident	85 Å²	85	47.6 Å²	47.6	39%	0.394	25%	0.245	S	C	.	.	H	α-helix	trans	-62.4	-44.2	178.8	-179	44.3	0	0	0	111.7	R222 R251 L252 A257 T258 E259	R222-H255 PolarHBondContact NH2-CD2 3.42Å; R251-H255 WeakPolarHBondContact O-CB 3.47Å; R251-H255 PolarHBondContact O-N 2.85Å; L252-H255 PolarHBondContact O-N 2.77Å; H255-A257 VanDerWaalsContact C-N 3.32Å; H255-A257 PolarHBondContact O-N 2.91Å; H255-T258 PolarHBondContact O-N 3.05Å; H255-E259 IonicContact CE1-OE1 3.81Å; H255-E259 PolarHBondContact CE1-OE1 3.11Å; H255-E259 IonicContact ND1-OE1 3.09Å; H255-E259 VanDerWaalsContact O-CG 3.31Å; H255-E259 WeakPolarHBondContact O-CG 3.24Å; H255-E259 PolarHBondContact O-N 2.88Å
256	S	81.8	Confident	80.1	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.007	26%	0.257	C	S	.	.	H	α-helix	trans	-62.3	-37.4	174.2	-67.1	0	0	0	0	112.7	R222 L252 M254 E259 C260	R222-S256 PolarHBondContact NH2-OG 3.3Å; R222-S256 VanDerWaalsContact NH2-OG 3.09Å; L252-S256 WeakPolarHBondContact O-CB 3.5Å; L252-S256 PolarHBondContact O-N 3.38Å; L252-S256 PolarHBondContact O-OG 2.85Å; M254-S256 PolarHBondContact O-N 3.45Å; S256-E259 PolarHBondContact O-N 3.34Å; S256-C260 WeakPolarHBondContact O-CB 3.08Å; S256-C260 PolarHBondContact O-N 3Å; S256-C260 PolarHBondContact O-SG 3.18Å
257	A	81.5	Confident	79.9	Confident	11 Å²	11	49.9 Å²	49.9	9%	0.091	26%	0.26	C	S	.	.	H	α-helix	trans	-63.5	-43.1	173.9	0	0	0	0	0	112.1	L244 M246 A253 M254 H255 E259 C260 V261 V269	L244-A257 HydrophobicContact CD2-CB 3.8Å; M246-A257 HydrophobicContact SD-CB 4.13Å; A253-A257 WeakPolarHBondContact O-CB 3.34Å; A253-A257 PolarHBondContact O-N 2.81Å; M254-A257 WeakPolarHBondContact O-CB 3.28Å; M254-A257 PolarHBondContact O-N 3.34Å; H255-A257 VanDerWaalsContact C-N 3.32Å; H255-A257 PolarHBondContact O-N 2.91Å; A257-E259 VanDerWaalsContact C-N 3.34Å; A257-E259 PolarHBondContact O-N 3.23Å; A257-C260 PolarHBondContact O-N 3.32Å; A257-V261 WeakPolarHBondContact O-CG2 3.3Å; A257-V261 PolarHBondContact O-N 3.46Å; A257-V261 VanDerWaalsContact O-N 3.15Å; A257-V269 HydrophobicContact CB-CG1 4.41Å
258	T	80.9	Confident	80.1	Confident	20 Å²	20	50 Å²	50	12%	0.123	26%	0.261	C	S	.	.	H	α-helix	trans	-62.5	-40.9	175.4	-49.2	0	0	0	0	111.9	M254 H255 V261 R262 T314	M254-T258 PolarHBondContact O-N 3.48Å; M254-T258 PolarHBondContact O-OG1 2.93Å; H255-T258 PolarHBondContact O-N 3.05Å; T258-V261 PolarHBondContact O-N 2.91Å; T258-R262 VanDerWaalsContact CG2-CZ 3.41Å; T258-R262 WeakPolarHBondContact O-CB 3.45Å; T258-R262 VanDerWaalsContact O-CG 3.31Å; T258-R262 WeakPolarHBondContact O-CG 3.21Å; T258-R262 PolarHBondContact O-N 3.26Å; T258-T314 HydrophobicContact CG2-CG2 4.48Å
259	E	79.9	Confident	80.5	Confident	78 Å²	78	50 Å²	50	36%	0.364	26%	0.261	S	S	.	.	H	α-helix	trans	-66.8	-37.8	176.3	-67.1	-62.4	129.7	0	0	112.4	H255 S256 A257 V261 R262 A263	H255-E259 IonicContact CE1-OE1 3.81Å; H255-E259 PolarHBondContact CE1-OE1 3.11Å; H255-E259 IonicContact ND1-OE1 3.09Å; H255-E259 VanDerWaalsContact O-CG 3.31Å; H255-E259 WeakPolarHBondContact O-CG 3.24Å; H255-E259 PolarHBondContact O-N 2.88Å; S256-E259 PolarHBondContact O-N 3.34Å; A257-E259 VanDerWaalsContact C-N 3.34Å; A257-E259 PolarHBondContact O-N 3.23Å; E259-V261 VanDerWaalsContact C-N 3.31Å; E259-V261 PolarHBondContact O-N 3.32Å; E259-R262 CarbonylContact O-C 3.56Å; E259-R262 PolarHBondContact O-N 2.72Å; E259-A263 PolarHBondContact O-N 3.4Å
260	C	81	Confident	81	Confident	14 Å²	14	50 Å²	50	10%	0.095	26%	0.261	C	S	.	.	H	α-helix	trans	-63.1	-36	176	-77.1	0	0	0	0	112.9	L244 S256 A257 V267	L244-C260 HydrophobicContact CD2-CB 4.19Å; S256-C260 WeakPolarHBondContact O-CB 3.08Å; S256-C260 PolarHBondContact O-N 3Å; S256-C260 PolarHBondContact O-SG 3.18Å; A257-C260 PolarHBondContact O-N 3.32Å; C260-V267 HydrophobicContact CB-CB 4.15Å; C260-V267 PolarHBondContact O-N 2.66Å
261	V	79.1	Confident	81.4	Confident	13 Å²	13	48.5 Å²	48.5	8%	0.079	24%	0.244	C	C	.	.	H	α-helix	trans	-74.3	-35.9	175	171.9	0	0	0	0	111.4	A257 T258 E259 A263 V269 T314 E318	A257-V261 WeakPolarHBondContact O-CG2 3.3Å; A257-V261 PolarHBondContact O-N 3.46Å; A257-V261 VanDerWaalsContact O-N 3.15Å; T258-V261 PolarHBondContact O-N 2.91Å; E259-V261 VanDerWaalsContact C-N 3.31Å; E259-V261 PolarHBondContact O-N 3.32Å; V261-A263 VanDerWaalsContact C-N 3.32Å; V261-A263 PolarHBondContact O-N 2.97Å; V261-V269 HydrophobicContact CG2-CG2 3.58Å; V261-T314 HydrophobicContact CB-CG2 4.12Å; V261-T314 HydrophobicContact CG1-CG2 3.65Å; V261-E318 WeakPolarHBondContact CG1-OE2 3.35Å
262	R	78.8	Confident	81.7	Confident	115 Å²	115	37.7 Å²	37.7	43%	0.434	20%	0.204	S	C	.	.	H	α-helix	trans	-80.2	-8.2	178.3	-71.7	176.4	178.3	160.3	-3.5	114.7	T258 E259	T258-R262 VanDerWaalsContact CG2-CZ 3.41Å; T258-R262 WeakPolarHBondContact O-CB 3.45Å; T258-R262 VanDerWaalsContact O-CG 3.31Å; T258-R262 WeakPolarHBondContact O-CG 3.21Å; T258-R262 PolarHBondContact O-N 3.26Å; E259-R262 CarbonylContact O-C 3.56Å; E259-R262 PolarHBondContact O-N 2.72Å
263	A	78.4	Confident	81.9	Confident	35 Å²	35	35.7 Å²	35.7	29%	0.289	19%	0.191	S	C	.	.	S	Bend	trans	-58.5	152.4	179.3	0	0	0	0	0	110.8	E259 V261 I265	E259-A263 PolarHBondContact O-N 3.4Å; V261-A263 VanDerWaalsContact C-N 3.32Å; V261-A263 PolarHBondContact O-N 2.97Å; A263-I265 CarbonylContact O-C 3.2Å; A263-I265 PolarHBondContact O-N 3.45Å
264	P	76.4	Confident	82	Confident	127 Å²	127	38.4 Å²	38.4	83%	0.825	21%	0.205	S	C	*	.	S	Bend	trans	-57.9	-27.6	-179.5	23.9	-35.3	0	0	0	112.9
265	I	77.6	Confident	82	Confident	46 Å²	46	34.6 Å²	34.6	24%	0.236	19%	0.187	C	C	.	.	S	Bend	trans	-113	105.6	166.3	-57	170.4	0	0	0	105.6	Q230 L239 A263 V267	Q230-I265 HydrophobicContact CG-CD1 4.16Å; L239-I265 HydrophobicContact CD1-CD1 4.32Å; A263-I265 CarbonylContact O-C 3.2Å; A263-I265 PolarHBondContact O-N 3.45Å; I265-V267 PolarHBondContact O-N 3.38Å
266	P	78.1	Confident	81.8	Confident	39 Å²	39	31.6 Å²	31.6	25%	0.253	18%	0.178	S	C	.	.	P	Polyproline II helix	trans	-62.1	136.8	-177.8	19.8	-29.2	0	0	0	111.3	E318	P266-E318 VanDerWaalsContact CB-OE1 3.27Å; P266-E318 WeakPolarHBondContact CB-OE1 3.38Å; P266-E318 WeakPolarHBondContact CB-OE2 3.43Å; P266-E318 WeakPolarHBondContact CG-OE1 3.38Å
267	V	83.6	Confident	81.9	Confident	12 Å²	12	36.8 Å²	36.8	7%	0.073	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-103.9	120.7	175.4	176.6	0	0	0	0	108.8	T229 I242 L244 C260 I265	T229-V267 HydrophobicContact CG2-CG2 3.82Å; I242-V267 HydrophobicContact CB-CG1 4.35Å; I242-V267 HydrophobicContact CG2-CG1 4.12Å; L244-V267 HydrophobicContact CB-CG1 4.24Å; C260-V267 HydrophobicContact CB-CB 4.15Å; C260-V267 PolarHBondContact O-N 2.66Å; I265-V267 PolarHBondContact O-N 3.38Å
268	P	86.8	Confident	81.9	Confident	2 Å²	2	36.6 Å²	36.6	1%	0.013	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-64.1	140.6	-179.1	24.4	-33	0	0	0	111.7	I242 V243 L244 A341 L342	I242-P268 WeakPolarHBondContact O-CD 3.14Å; V243-P268 HydrophobicContact CG2-CG 4.42Å; L244-P268 PolarHBondContact N-O 3.2Å; P268-A341 HydrophobicContact CB-CB 4.19Å; P268-A341 WeakPolarHBondContact CB-O 3.45Å; P268-L342 HydrophobicContact CG-CD2 3.83Å; P268-L342 HydrophobicContact CG-CG 4.38Å
269	V	86.4	Confident	81.9	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.006	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	123.9	-176.5	-174.9	0	0	0	0	110.1	L244 A257 V261 L271 E318 L319 T320	L244-V269 HydrophobicContact CB-CG2 4.26Å; L244-V269 HydrophobicContact CD2-CG1 4.29Å; L244-V269 HydrophobicContact CD2-CG2 4.03Å; L244-V269 HydrophobicContact CG-CG1 4.29Å; L244-V269 HydrophobicContact CG-CG2 4.43Å; L244-V269 CarbonylContact O-C 3.43Å; L244-V269 WeakPolarHBondContact O-CA 3.42Å; A257-V269 HydrophobicContact CB-CG1 4.41Å; V261-V269 HydrophobicContact CG2-CG2 3.58Å; V269-L271 HydrophobicContact CG1-CD2 4.1Å; V269-L271 HydrophobicContact CG1-CG 4.5Å; V269-E318 PolarHBondContact N-O 3.18Å; V269-L319 HydrophobicContact CB-CD2 4.01Å; V269-L319 HydrophobicContact CG1-CD2 4.3Å; V269-T320 PolarHBondContact O-N 3.13Å; V269-T320 PolarHBondContact O-OG1 3.05Å
270	V	88	Confident	82.1	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	111.2	174.1	-175.8	0	0	0	0	108.4	V243 L244 L245 M246 T320 F322 I338 A341	V243-V270 HydrophobicContact CG2-CG2 3.68Å; L244-V270 PolarHBondContact O-N 3.46Å; L245-V270 HydrophobicContact CD1-CB 3.64Å; L245-V270 HydrophobicContact CD1-CG1 3.59Å; M246-V270 PolarHBondContact N-O 3.36Å; V270-T320 WeakPolarHBondContact CA-O 3.17Å; V270-T320 WeakPolarHBondContact CG2-OG1 3.31Å; V270-F322 HydrophobicContact CG1-CB 3.93Å; V270-I338 HydrophobicContact CG2-CG1 4.34Å; V270-A341 HydrophobicContact CG2-CB 3.81Å
271	L	87.3	Confident	82.1	Confident	4 Å²	4	39.7 Å²	39.7	2%	0.021	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	119.5	176.5	-64.9	178.6	0	0	0	110	M246 V269 K273 I286 L319 T320 F322	M246-L271 HydrophobicContact CB-CD2 3.93Å; M246-L271 HydrophobicContact CG-CD2 4.38Å; M246-L271 HydrophobicContact SD-CD2 3.83Å; V269-L271 HydrophobicContact CG1-CD2 4.1Å; V269-L271 HydrophobicContact CG1-CG 4.5Å; L271-K273 PolarHBondContact O-N 3.43Å; L271-I286 HydrophobicContact CD1-CD1 3.38Å; L271-L319 HydrophobicContact CD1-CD2 4Å; L271-L319 HydrophobicContact CG-CD2 4.26Å; L271-T320 PolarHBondContact N-O 2.83Å; L271-F322 PolarHBondContact O-N 3.01Å
272	C	86	Confident	81.9	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.007	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	107.7	178.3	-166.1	0	0	0	0	110.4	M246 L247 S275 F322	M246-C272 WeakPolarHBondContact O-CB 3.43Å; M246-C272 PolarHBondContact O-N 3.17Å; L247-C272 HydrophobicContact CD2-CB 3.41Å; L247-C272 VanDerWaalsContact CD2-CB 3.41Å; L247-C272 VanDerWaalsContact CD2-SG 3.54Å; L247-C272 HydrophobicContact CG-CB 4.45Å; C272-S275 WeakPolarHBondContact O-CB 3.45Å; C272-S275 PolarHBondContact O-N 2.85Å; C272-S275 PolarHBondContact O-OG 3.48Å; C272-F322 HydrophobicContact CB-CD1 4.48Å
273	K	84.1	Confident	81.8	Confident	53 Å²	53	36.3 Å²	36.3	23%	0.23	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	145.1	177.4	-174.3	-174.7	162.8	-164.4	0	110.6	L271 S275 F283 F322 D323	L271-K273 PolarHBondContact O-N 3.43Å; K273-S275 PolarHBondContact O-N 3.02Å; K273-F283 HydrophobicContact CD-CD1 4.33Å; K273-F283 HydrophobicContact CD-CE1 3.81Å; K273-F283 HydrophobicContact CD-CE2 4.09Å; K273-F283 HydrophobicContact CD-CZ 3.68Å; K273-F283 HydrophobicContact CG-CD1 4.09Å; K273-F283 HydrophobicContact CG-CE1 4.05Å; K273-F283 HydrophobicContact CG-CG 4.37Å; K273-F283 HydrophobicContact CG-CZ 4.3Å; K273-F322 WeakPolarHBondContact CB-O 3.39Å; K273-F322 PolarHBondContact N-O 3.16Å; K273-D323 HydrophobicContact CB-CB 4.38Å; K273-D323 HydrophobicContact CD-CB 3.99Å; K273-D323 WeakPolarHBondContact CD-OD2 3.43Å; K273-D323 WeakPolarHBondContact CE-OD2 3.21Å; K273-D323 IonicContact NZ-OD2 2.67Å; K273-D323 PolarHBondContact NZ-OD2 3.21Å
274	N	82.2	Confident	81.7	Confident	63 Å²	63	40.1 Å²	40.1	34%	0.337	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	18.6	-176.3	-43.2	-60.5	0	0	0	113.5	L114 D280 D323 L325	L114-N274 HydrophobicContact CD2-CB 4.48Å; N274-D280 WeakPolarHBondContact CA-OD1 3.31Å; N274-D280 PolarHBondContact N-OD1 2.74Å; N274-D323 PolarHBondContact ND2-OD1 3.4Å; N274-D323 VanDerWaalsContact ND2-OD1 3.09Å; N274-L325 HydrophobicContact CB-CD1 3.95Å; N274-L325 WeakPolarHBondContact ND2-CD1 3.37Å
275	S	80.8	Confident	81.6	Confident	7 Å²	7	36.3 Å²	36.3	5%	0.049	19%	0.185	C	C	.	.	S	Bend	trans	-89	-7.7	172.4	68.8	0	0	0	0	113.1	G248 C272 K273 A279	G248-S275 WeakPolarHBondContact CA-O 3.46Å; G248-S275 PolarHBondContact N-OG 3.48Å; C272-S275 WeakPolarHBondContact O-CB 3.45Å; C272-S275 PolarHBondContact O-N 2.85Å; C272-S275 PolarHBondContact O-OG 3.48Å; K273-S275 PolarHBondContact O-N 3.02Å; S275-A279 VanDerWaalsContact OG-CB 3.23Å; S275-A279 WeakPolarHBondContact OG-CB 3.44Å
276	G	79.1	Confident	81.2	Confident	21 Å²	21	34.9 Å²	34.9	22%	0.216	18%	0.178	C	C	.	.			trans	87.2	174.8	176.6	0	0	0	0	0	115	G248 A278 A279 D280	G248-G276 VanDerWaalsContact CA-O 3.28Å; G248-G276 WeakPolarHBondContact CA-O 3.32Å; G276-A278 PolarHBondContact O-N 2.89Å; G276-A279 PolarHBondContact O-N 3.22Å; G276-D280 WeakPolarHBondContact CA-OD2 3.21Å; G276-D280 PolarHBondContact N-OD2 3.06Å
277	R	83	Confident	80.9	Confident	111 Å²	111	35.1 Å²	35.1	42%	0.419	18%	0.178	S	C	.	.	H	α-helix	trans	53.5	-124.7	168.4	-54.8	178.4	177.6	167.4	2.9	113.9	N106 D107 G249 Q281	N106-R277 PolarHBondContact O-NH1 2.8Å; D107-R277 PolarHBondContact O-NH2 3.27Å; G249-R277 WeakPolarHBondContact O-CB 3.05Å; R277-Q281 WeakPolarHBondContact O-CB 3.35Å; R277-Q281 PolarHBondContact O-N 3.44Å; R277-Q281 VanDerWaalsContact O-N 3.07Å
278	A	82.4	Confident	80.3	Confident	7 Å²	7	41.4 Å²	41.4	6%	0.058	20%	0.201	C	C	.	.	H	α-helix	trans	-68.8	-34.5	-172.2	0	0	0	0	0	112.6	M246 G248 G249 G276 S282	M246-A278 HydrophobicContact CE-CB 3.53Å; G248-A278 PolarHBondContact O-N 3.15Å; G249-A278 PolarHBondContact O-N 3.43Å; G276-A278 PolarHBondContact O-N 2.89Å; A278-S282 WeakPolarHBondContact O-CB 3.27Å; A278-S282 PolarHBondContact O-N 2.62Å; A278-S282 PolarHBondContact O-OG 2.94Å; A278-S282 VanDerWaalsContact O-OG 3.07Å
279	A	81.7	Confident	79.2	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-66.6	-43	178.1	0	0	0	0	0	112.8	G248 S275 G276 S282 F283	G248-A279 WeakPolarHBondContact O-CB 3.4Å; G248-A279 PolarHBondContact O-N 2.89Å; S275-A279 VanDerWaalsContact OG-CB 3.23Å; S275-A279 WeakPolarHBondContact OG-CB 3.44Å; G276-A279 PolarHBondContact O-N 3.22Å; A279-S282 PolarHBondContact O-OG 3.07Å; A279-F283 WeakPolarHBondContact O-CB 3.28Å; A279-F283 PolarHBondContact O-N 3.38Å
280	D	82.8	Confident	78.3	Confident	46 Å²	46	46.9 Å²	46.9	25%	0.246	23%	0.23	C	C	.	.	H	α-helix	trans	-74.2	-34.2	176.6	-74.7	-16	0	0	0	111.9	N274 G276 F283 H284	N274-D280 WeakPolarHBondContact CA-OD1 3.31Å; N274-D280 PolarHBondContact N-OD1 2.74Å; G276-D280 WeakPolarHBondContact CA-OD2 3.21Å; G276-D280 PolarHBondContact N-OD2 3.06Å; D280-F283 PolarHBondContact O-N 2.86Å; D280-H284 WeakPolarHBondContact O-CB 3.22Å; D280-H284 PolarHBondContact O-N 3.04Å
281	Q	81.6	Confident	77.2	Confident	131 Å²	131	51.2 Å²	51.2	61%	0.612	25%	0.253	S	S	*	.	H	α-helix	trans	-64.5	-43.7	174.5	-173.9	176.7	5.4	0	0	111.4	R277 T285	R277-Q281 WeakPolarHBondContact O-CB 3.35Å; R277-Q281 PolarHBondContact O-N 3.44Å; R277-Q281 VanDerWaalsContact O-N 3.07Å; Q281-T285 WeakPolarHBondContact O-CB 3.41Å; Q281-T285 PolarHBondContact O-N 3.02Å; Q281-T285 PolarHBondContact O-OG1 3.24Å
282	S	75.5	Confident	75.9	Confident	16 Å²	16	56.5 Å²	56.5	11%	0.112	28%	0.276	C	S	.	.	H	α-helix	trans	-65.5	-43.7	175.4	60.8	0	0	0	0	111	A278 A279 H284 T285 I286	A278-S282 WeakPolarHBondContact O-CB 3.27Å; A278-S282 PolarHBondContact O-N 2.62Å; A278-S282 PolarHBondContact O-OG 2.94Å; A278-S282 VanDerWaalsContact O-OG 3.07Å; A279-S282 PolarHBondContact O-OG 3.07Å; S282-H284 PolarHBondContact O-N 2.89Å; S282-T285 PolarHBondContact O-N 2.93Å; S282-I286 WeakPolarHBondContact O-CD1 3.28Å; S282-I286 VanDerWaalsContact O-CG1 3.27Å; S282-I286 WeakPolarHBondContact O-CG1 3.3Å; S282-I286 PolarHBondContact O-N 2.77Å
283	F	76.7	Confident	74.5	Confident	41 Å²	41	61.2 Å²	61.2	18%	0.18	30%	0.3	C	S	.	.	H	α-helix	trans	-57	-48.9	174.2	168.8	-101.9	0	0	0	112.8	K273 A279 D280 T285 I286 T287 I321	K273-F283 HydrophobicContact CD-CD1 4.33Å; K273-F283 HydrophobicContact CD-CE1 3.81Å; K273-F283 HydrophobicContact CD-CE2 4.09Å; K273-F283 HydrophobicContact CD-CZ 3.68Å; K273-F283 HydrophobicContact CG-CD1 4.09Å; K273-F283 HydrophobicContact CG-CE1 4.05Å; K273-F283 HydrophobicContact CG-CG 4.37Å; K273-F283 HydrophobicContact CG-CZ 4.3Å; A279-F283 WeakPolarHBondContact O-CB 3.28Å; A279-F283 PolarHBondContact O-N 3.38Å; D280-F283 PolarHBondContact O-N 2.86Å; F283-T285 VanDerWaalsContact C-N 3.28Å; F283-T285 PolarHBondContact O-N 2.89Å; F283-I286 PolarHBondContact O-N 2.87Å; F283-T287 WeakPolarHBondContact CE2-OG1 3.39Å; F283-T287 WeakPolarHBondContact CZ-OG1 3.44Å; F283-T287 WeakPolarHBondContact O-CB 3.26Å; F283-T287 PolarHBondContact O-N 3.28Å; F283-T287 PolarHBondContact O-OG1 3.35Å; F283-I321 HydrophobicContact CD2-CD1 3.85Å; F283-I321 HydrophobicContact CD2-CG1 4.07Å; F283-I321 HydrophobicContact CD2-CG2 3.64Å; F283-I321 HydrophobicContact CE2-CD1 3.93Å; F283-I321 HydrophobicContact CE2-CG1 4.45Å; F283-I321 HydrophobicContact CE2-CG2 3.66Å
284	H	76.6	Confident	73.2	Confident	115 Å²	115	69.4 Å²	69.4	53%	0.532	33%	0.33	S	S	.	.	H	α-helix	trans	-63.8	-38.2	179.7	-169.5	71.2	0	0	0	111.2	D280 S282 R288	D280-H284 WeakPolarHBondContact O-CB 3.22Å; D280-H284 PolarHBondContact O-N 3.04Å; S282-H284 PolarHBondContact O-N 2.89Å; H284-R288 WeakPolarHBondContact O-CB 3.31Å; H284-R288 PolarHBondContact O-N 3.11Å
285	T	72.5	Confident	72.1	Confident	47 Å²	47	73.7 Å²	73.7	29%	0.288	35%	0.348	S	S	.	.	H	α-helix	trans	-65.1	-46.9	176.5	-53.2	0	0	0	0	111.1	Q281 S282 F283 R288 L289 L312	Q281-T285 WeakPolarHBondContact O-CB 3.41Å; Q281-T285 PolarHBondContact O-N 3.02Å; Q281-T285 PolarHBondContact O-OG1 3.24Å; S282-T285 PolarHBondContact O-N 2.93Å; F283-T285 VanDerWaalsContact C-N 3.28Å; F283-T285 PolarHBondContact O-N 2.89Å; T285-R288 WeakPolarHBondContact O-CB 3.31Å; T285-R288 PolarHBondContact O-N 3.15Å; T285-L289 HydrophobicContact CG2-CD1 4.21Å; T285-L289 VanDerWaalsContact O-CG 3.27Å; T285-L289 WeakPolarHBondContact O-CG 3.38Å; T285-L289 PolarHBondContact O-N 2.9Å; T285-L312 HydrophobicContact CG2-CD1 3.67Å
286	I	69.9	Low	70.7	Confident	16 Å²	16	79.2 Å²	79.2	8%	0.082	38%	0.377	C	S	.	.	H	α-helix	trans	-62.7	-45.3	177.8	-68.3	162.1	0	0	0	111.3	L271 S282 F283 R288 L289 N290 L319 I321	L271-I286 HydrophobicContact CD1-CD1 3.38Å; S282-I286 WeakPolarHBondContact O-CD1 3.28Å; S282-I286 VanDerWaalsContact O-CG1 3.27Å; S282-I286 WeakPolarHBondContact O-CG1 3.3Å; S282-I286 PolarHBondContact O-N 2.77Å; F283-I286 PolarHBondContact O-N 2.87Å; I286-R288 VanDerWaalsContact C-N 3.29Å; I286-R288 PolarHBondContact O-N 2.52Å; I286-L289 PolarHBondContact O-N 3.46Å; I286-N290 PolarHBondContact O-N 2.97Å; I286-L319 HydrophobicContact CD1-CD1 4.08Å; I286-L319 HydrophobicContact CD1-CD2 4.31Å; I286-I321 HydrophobicContact CG2-CD1 4.41Å
287	T	71.2	Confident	69.4	Low	43 Å²	43	86.9 Å²	86.9	26%	0.264	41%	0.407	S	S	.	.	H	α-helix	trans	-62.8	-40.6	178.5	-54.7	0	0	0	0	110.9	F283 N290 N291	F283-T287 WeakPolarHBondContact CE2-OG1 3.39Å; F283-T287 WeakPolarHBondContact CZ-OG1 3.44Å; F283-T287 WeakPolarHBondContact O-CB 3.26Å; F283-T287 PolarHBondContact O-N 3.28Å; F283-T287 PolarHBondContact O-OG1 3.35Å; T287-N290 PolarHBondContact O-N 2.8Å; T287-N291 WeakPolarHBondContact O-CB 3.33Å; T287-N291 VanDerWaalsContact O-CG 3.25Å; T287-N291 PolarHBondContact O-N 3.15Å; T287-N291 PolarHBondContact O-ND2 3.43Å
288	R	71.1	Confident	68.1	Low	145 Å²	145	89.3 Å²	89.3	55%	0.547	42%	0.423	S	S	.	.	H	α-helix	trans	-63.4	-48.9	174.5	-166.3	171.3	-176.4	162.5	1.2	110	H284 T285 I286 N290 N291 F292	H284-R288 WeakPolarHBondContact O-CB 3.31Å; H284-R288 PolarHBondContact O-N 3.11Å; T285-R288 WeakPolarHBondContact O-CB 3.31Å; T285-R288 PolarHBondContact O-N 3.15Å; I286-R288 VanDerWaalsContact C-N 3.29Å; I286-R288 PolarHBondContact O-N 2.52Å; R288-N290 PolarHBondContact O-N 2.94Å; R288-N291 PolarHBondContact O-N 3.38Å; R288-F292 HydrophobicContact CB-CD2 4.45Å; R288-F292 HydrophobicContact CG-CD2 3.4Å; R288-F292 VanDerWaalsContact CG-CD2 3.4Å; R288-F292 HydrophobicContact CG-CE2 3.36Å; R288-F292 VanDerWaalsContact O-CB 3.31Å; R288-F292 WeakPolarHBondContact O-CB 3.48Å; R288-F292 WeakPolarHBondContact O-CD2 3.47Å; R288-F292 PolarHBondContact O-N 3.08Å
289	L	65.3	Low	66.6	Low	45 Å²	45	97.3 Å²	97.3	24%	0.236	46%	0.46	C	S	.	.	H	α-helix	trans	-57.3	-46.7	176.9	-69.9	171.9	0	0	0	112.2	T285 I286 N291 F292 L293 I308	T285-L289 HydrophobicContact CG2-CD1 4.21Å; T285-L289 VanDerWaalsContact O-CG 3.27Å; T285-L289 WeakPolarHBondContact O-CG 3.38Å; T285-L289 PolarHBondContact O-N 2.9Å; I286-L289 PolarHBondContact O-N 3.46Å; L289-N291 PolarHBondContact O-N 3.28Å; L289-F292 PolarHBondContact O-N 2.89Å; L289-L293 VanDerWaalsContact O-CB 3.3Å; L289-L293 WeakPolarHBondContact O-CB 3.25Å; L289-L293 WeakPolarHBondContact O-CG 3.33Å; L289-L293 PolarHBondContact O-N 3.21Å; L289-I308 HydrophobicContact CD1-CG2 4.01Å; L289-I308 HydrophobicContact CD2-CD1 3.48Å; L289-I308 VanDerWaalsContact CD2-CD1 3.48Å; L289-I308 HydrophobicContact CD2-CG1 4.32Å; L289-I308 HydrophobicContact CD2-CG2 3.96Å
290	N	65.7	Low	65	Low	73 Å²	73	104.9 Å²	104.9	39%	0.39	49%	0.493	S	S	.	.	H	α-helix	trans	-62.8	-40	178.3	-77.8	-19.6	0	0	0	112.9	I286 T287 R288 R294	I286-N290 PolarHBondContact O-N 2.97Å; T287-N290 PolarHBondContact O-N 2.8Å; R288-N290 PolarHBondContact O-N 2.94Å; N290-R294 PolarHBondContact O-N 3.05Å
291	N	65.3	Low	63.3	Low	90 Å²	90	107.4 Å²	107.4	48%	0.481	50%	0.502	S	S	.	.	H	α-helix	trans	-71	-39.4	176.7	-71.5	-16.5	0	0	0	111.9	T287 R288 L289 R294 Q295	T287-N291 WeakPolarHBondContact O-CB 3.33Å; T287-N291 VanDerWaalsContact O-CG 3.25Å; T287-N291 PolarHBondContact O-N 3.15Å; T287-N291 PolarHBondContact O-ND2 3.43Å; R288-N291 PolarHBondContact O-N 3.38Å; L289-N291 PolarHBondContact O-N 3.28Å; N291-R294 PolarHBondContact O-N 2.95Å; N291-Q295 PolarHBondContact O-N 2.87Å
292	F	60.6	Low	61.8	Low	115 Å²	115	104.7 Å²	104.7	50%	0.504	50%	0.497	S	S	.	.	H	α-helix	trans	-69.4	-37	177.8	-89.5	-93.8	0	0	0	112	R288 L289 R294 Q295	R288-F292 HydrophobicContact CB-CD2 4.45Å; R288-F292 HydrophobicContact CG-CD2 3.4Å; R288-F292 VanDerWaalsContact CG-CD2 3.4Å; R288-F292 HydrophobicContact CG-CE2 3.36Å; R288-F292 VanDerWaalsContact O-CB 3.31Å; R288-F292 WeakPolarHBondContact O-CB 3.48Å; R288-F292 WeakPolarHBondContact O-CD2 3.47Å; R288-F292 PolarHBondContact O-N 3.08Å; L289-F292 PolarHBondContact O-N 2.89Å; F292-R294 PolarHBondContact O-N 2.85Å; F292-Q295 PolarHBondContact O-N 3.44Å
293	L	57.1	Low	60.5	Low	100 Å²	100	111.1 Å²	111.1	52%	0.524	53%	0.525	S	S	.	.	H	α-helix	trans	-65.7	-25.7	174.9	-75.4	169.3	0	0	0	112.8	L289	L289-L293 VanDerWaalsContact O-CB 3.3Å; L289-L293 WeakPolarHBondContact O-CB 3.25Å; L289-L293 WeakPolarHBondContact O-CG 3.33Å; L289-L293 PolarHBondContact O-N 3.21Å
294	R	57.1	Low	59	Low	225 Å²	225	113 Å²	113	85%	0.849	54%	0.537	S	S	*	.	H	α-helix	trans	-83.8	-18	177.3	-83	-175.2	169.2	-173.8	-2.6	114.7	N290 N291 F292	N290-R294 PolarHBondContact O-N 3.05Å; N291-R294 PolarHBondContact O-N 2.95Å; F292-R294 PolarHBondContact O-N 2.85Å
295	Q	58.6	Low	57.6	Low	153 Å²	153	110.7 Å²	110.7	72%	0.715	53%	0.528	S	S	*	.	H	α-helix	trans	-115.3	-19.2	-164.6	-76.4	-172	-19.3	0	0	117.2	N291 F292	N291-Q295 PolarHBondContact O-N 2.87Å; F292-Q295 PolarHBondContact O-N 3.44Å
296	N	51.5	Low	56.5	Low	123 Å²	123	115.3 Å²	115.3	66%	0.658	54%	0.544	S	S	*	.			trans	-140.2	138.2	-169.9	-76.7	-41.7	0	0	0	116.9
297	E	50.9	Low	55.2	Low	182 Å²	182	123.9 Å²	123.9	85%	0.85	58%	0.575	S	S	*	*			trans	-63.4	128.9	-177.4	-74.5	173.3	137.3	0	0	114.8	Q299	E297-Q299 VanDerWaalsContact C-N 3.3Å; E297-Q299 PolarHBondContact O-N 3.3Å
298	E	56.2	Low	54.1	Low	163 Å²	163	123.6 Å²	123.6	76%	0.762	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	23.5	-33.9	153.4	-58	-167.3	154.3	0	0	123.6	K301	E298-K301 WeakPolarHBondContact O-CB 3.3Å
299	Q	51.2	Low	53	Low	175 Å²	175	120.5 Å²	120.5	82%	0.818	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	-30.8	-168.3	-77.8	-174.5	-15.6	0	0	115.1	E297 K301	E297-Q299 VanDerWaalsContact C-N 3.3Å; E297-Q299 PolarHBondContact O-N 3.3Å; Q299-K301 VanDerWaalsContact C-N 3.33Å
300	F	47.8	Very low	52.2	Low	158 Å²	158	125.7 Å²	125.7	69%	0.693	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.9	-16.2	171.5	-130.5	-106.1	0	0	0	111.8	L304	F300-L304 HydrophobicContact CD1-CD1 3.3Å; F300-L304 HydrophobicContact CE1-CD1 3.41Å; F300-L304 VanDerWaalsContact CE1-CD1 3.41Å; F300-L304 WeakPolarHBondContact O-CB 3.16Å; F300-L304 PolarHBondContact O-N 2.9Å
301	K	46.9	Very low	51.2	Low	100 Å²	100	126.3 Å²	126.3	44%	0.435	59%	0.593	S	S	.	*	H	α-helix	trans	-62.6	-42.4	-177.5	-147.8	-179	178.6	178.9	0	111.3	E298 Q299 L305	E298-K301 WeakPolarHBondContact O-CB 3.3Å; Q299-K301 VanDerWaalsContact C-N 3.33Å; K301-L305 HydrophobicContact CB-CD1 4.43Å; K301-L305 HydrophobicContact CD-CD1 4.43Å; K301-L305 HydrophobicContact CG-CD1 3.75Å; K301-L305 HydrophobicContact CG-CG 4.32Å; K301-L305 WeakPolarHBondContact O-CA 3.29Å; K301-L305 WeakPolarHBondContact O-CB 3.5Å; K301-L305 VanDerWaalsContact O-CD1 3.31Å; K301-L305 WeakPolarHBondContact O-CD1 3.38Å; K301-L305 WeakPolarHBondContact O-CG 3.4Å; K301-L305 PolarHBondContact O-N 3.47Å
302	S	50.4	Low	50.6	Low	74 Å²	74	124.6 Å²	124.6	52%	0.517	58%	0.584	S	S	.	*	H	α-helix	trans	-73.2	-33.5	-174.3	58	0	0	0	0	115.3	K306	S302-K306 PolarHBondContact O-N 3.28Å
303	Q	48.9	Very low	50	Low	151 Å²	151	124.9 Å²	124.9	71%	0.706	59%	0.587	S	S	*	*	H	α-helix	trans	-86.1	-31.2	178.9	-76.5	-175.6	-2.1	0	0	113.2
304	L	45.2	Very low	49.8	Very low	81 Å²	81	121.2 Å²	121.2	42%	0.424	57%	0.568	S	S	.	*	H	α-helix	trans	-79.6	-36.2	171.9	-110.3	134.4	0	0	0	111.6	F300 K306 R307 I308	F300-L304 HydrophobicContact CD1-CD1 3.3Å; F300-L304 HydrophobicContact CE1-CD1 3.41Å; F300-L304 VanDerWaalsContact CE1-CD1 3.41Å; F300-L304 WeakPolarHBondContact O-CB 3.16Å; F300-L304 PolarHBondContact O-N 2.9Å; L304-K306 VanDerWaalsContact C-N 3.33Å; L304-K306 PolarHBondContact O-N 3.37Å; L304-R307 PolarHBondContact O-N 3.42Å; L304-I308 HydrophobicContact CB-CD1 4.05Å; L304-I308 HydrophobicContact CD2-CD1 3.22Å; L304-I308 HydrophobicContact CD2-CG1 4.01Å; L304-I308 HydrophobicContact CG-CD1 4.19Å; L304-I308 WeakPolarHBondContact O-CB 3.31Å; L304-I308 WeakPolarHBondContact O-CD1 3.33Å; L304-I308 WeakPolarHBondContact O-CG1 3.31Å; L304-I308 PolarHBondContact O-N 3.01Å
305	L	46.6	Very low	49.7	Very low	66 Å²	66	115.6 Å²	115.6	35%	0.346	56%	0.555	S	S	.	*	H	α-helix	trans	-56	-47.2	170	-82.2	167	0	0	0	109.9	K301 R307 I308 E309	K301-L305 HydrophobicContact CB-CD1 4.43Å; K301-L305 HydrophobicContact CD-CD1 4.43Å; K301-L305 HydrophobicContact CG-CD1 3.75Å; K301-L305 HydrophobicContact CG-CG 4.32Å; K301-L305 WeakPolarHBondContact O-CA 3.29Å; K301-L305 WeakPolarHBondContact O-CB 3.5Å; K301-L305 VanDerWaalsContact O-CD1 3.31Å; K301-L305 WeakPolarHBondContact O-CD1 3.38Å; K301-L305 WeakPolarHBondContact O-CG 3.4Å; K301-L305 PolarHBondContact O-N 3.47Å; L305-R307 PolarHBondContact O-N 2.98Å; L305-I308 CarbonylContact O-C 3.48Å; L305-I308 PolarHBondContact O-N 3.17Å; L305-E309 WeakPolarHBondContact O-CA 3.39Å; L305-E309 WeakPolarHBondContact O-CB 3.26Å; L305-E309 WeakPolarHBondContact O-CG 3.46Å; L305-E309 PolarHBondContact O-N 2.95Å
306	K	48.2	Very low	49.6	Very low	144 Å²	144	112.8 Å²	112.8	63%	0.626	55%	0.549	S	S	*	.	H	α-helix	trans	-57.2	-41.6	176.4	-94	-177.5	172.9	-179.6	0	115.3	S302 L304 E310	S302-K306 PolarHBondContact O-N 3.28Å; L304-K306 VanDerWaalsContact C-N 3.33Å; L304-K306 PolarHBondContact O-N 3.37Å; K306-E310 WeakPolarHBondContact O-CG 3.45Å; K306-E310 PolarHBondContact O-N 3.41Å
307	R	44.2	Very low	50	Low	195 Å²	195	114.3 Å²	114.3	74%	0.736	55%	0.552	S	S	*	*	H	α-helix	trans	-78.8	-29.2	-179.9	-78.8	-175.9	176	161.9	0.9	113.2	L304 L305 T311	L304-R307 PolarHBondContact O-N 3.42Å; L305-R307 PolarHBondContact O-N 2.98Å; R307-T311 PolarHBondContact O-OG1 3.1Å
308	I	47.4	Very low	50.7	Low	38 Å²	38	106.5 Å²	106.5	20%	0.195	52%	0.515	C	S	.	.	H	α-helix	trans	-83.7	-30.7	176.7	-66.4	162.3	0	0	0	110.6	L289 L304 L305 E310 T311 L312	L289-I308 HydrophobicContact CD1-CG2 4.01Å; L289-I308 HydrophobicContact CD2-CD1 3.48Å; L289-I308 VanDerWaalsContact CD2-CD1 3.48Å; L289-I308 HydrophobicContact CD2-CG1 4.32Å; L289-I308 HydrophobicContact CD2-CG2 3.96Å; L304-I308 HydrophobicContact CB-CD1 4.05Å; L304-I308 HydrophobicContact CD2-CD1 3.22Å; L304-I308 HydrophobicContact CD2-CG1 4.01Å; L304-I308 HydrophobicContact CG-CD1 4.19Å; L304-I308 WeakPolarHBondContact O-CB 3.31Å; L304-I308 WeakPolarHBondContact O-CD1 3.33Å; L304-I308 WeakPolarHBondContact O-CG1 3.31Å; L304-I308 PolarHBondContact O-N 3.01Å; L305-I308 CarbonylContact O-C 3.48Å; L305-I308 PolarHBondContact O-N 3.17Å; I308-E310 VanDerWaalsContact C-N 3.34Å; I308-T311 PolarHBondContact O-N 2.93Å; I308-L312 HydrophobicContact CG2-CB 4.17Å; I308-L312 CarbonylContact O-C 3.55Å; I308-L312 WeakPolarHBondContact O-CA 3.12Å; I308-L312 PolarHBondContact O-N 3.44Å
309	E	47.3	Very low	51.5	Low	79 Å²	79	100.3 Å²	100.3	37%	0.369	49%	0.487	S	S	.	.	H	α-helix	trans	-61.7	-45.8	171.4	-83.2	165.5	174.7	0	0	108.9	L305 T311 E313	L305-E309 WeakPolarHBondContact O-CA 3.39Å; L305-E309 WeakPolarHBondContact O-CB 3.26Å; L305-E309 WeakPolarHBondContact O-CG 3.46Å; L305-E309 PolarHBondContact O-N 2.95Å; E309-T311 VanDerWaalsContact C-N 3.27Å; E309-T311 PolarHBondContact O-N 3.29Å; E309-E313 HydrophobicContact CB-CG 3.99Å; E309-E313 WeakPolarHBondContact CB-OE1 3.31Å; E309-E313 HydrophobicContact CG-CG 4.2Å; E309-E313 VanDerWaalsContact O-CB 3.23Å; E309-E313 WeakPolarHBondContact O-CB 3.25Å; E309-E313 WeakPolarHBondContact O-CG 3.44Å; E309-E313 PolarHBondContact O-N 2.89Å
310	E	49.7	Very low	52.7	Low	155 Å²	155	92.6 Å²	92.6	72%	0.724	45%	0.452	S	S	*	.	H	α-helix	trans	-63.5	-25.1	174.2	-75.5	174.5	177.3	0	0	114.4	K306 I308	K306-E310 WeakPolarHBondContact O-CG 3.45Å; K306-E310 PolarHBondContact O-N 3.41Å; I308-E310 VanDerWaalsContact C-N 3.34Å
311	T	44.2	Very low	54.2	Low	85 Å²	85	87.9 Å²	87.9	52%	0.521	43%	0.433	S	S	.	.	H	α-helix	trans	-110.5	-21.7	-174.7	39.2	0	0	0	0	115.9	R307 I308 E309	R307-T311 PolarHBondContact O-OG1 3.1Å; I308-T311 PolarHBondContact O-N 2.93Å; E309-T311 VanDerWaalsContact C-N 3.27Å; E309-T311 PolarHBondContact O-N 3.29Å
312	L	52.4	Low	55.8	Low	55 Å²	55	83.1 Å²	83.1	29%	0.288	41%	0.413	S	S	.	.	H	α-helix	trans	-155.9	32.1	-166.3	-92.6	141.8	0	0	0	112.4	T285 I308 T314	T285-L312 HydrophobicContact CG2-CD1 3.67Å; I308-L312 HydrophobicContact CG2-CB 4.17Å; I308-L312 CarbonylContact O-C 3.55Å; I308-L312 WeakPolarHBondContact O-CA 3.12Å; I308-L312 PolarHBondContact O-N 3.44Å; L312-T314 PolarHBondContact O-N 2.84Å; L312-T314 PolarHBondContact O-OG1 2.64Å
313	E	47.7	Very low	57.1	Low	121 Å²	121	81.1 Å²	81.1	57%	0.565	40%	0.396	S	S	*	.			trans	-58.5	70	160.9	-102.4	171.1	-155.6	0	0	111	E309	E309-E313 HydrophobicContact CB-CG 3.99Å; E309-E313 WeakPolarHBondContact CB-OE1 3.31Å; E309-E313 HydrophobicContact CG-CG 4.2Å; E309-E313 VanDerWaalsContact O-CB 3.23Å; E309-E313 WeakPolarHBondContact O-CB 3.25Å; E309-E313 WeakPolarHBondContact O-CG 3.44Å; E309-E313 PolarHBondContact O-N 2.89Å
314	T	53.1	Low	58	Low	22 Å²	22	74.1 Å²	74.1	14%	0.135	37%	0.365	C	S	.	.			trans	-127.2	121.2	177.1	50.1	0	0	0	0	107.2	T258 V261 L312 T316 L319	T258-T314 HydrophobicContact CG2-CG2 4.48Å; V261-T314 HydrophobicContact CB-CG2 4.12Å; V261-T314 HydrophobicContact CG1-CG2 3.65Å; L312-T314 PolarHBondContact O-N 2.84Å; L312-T314 PolarHBondContact O-OG1 2.64Å; T314-T316 PolarHBondContact O-N 2.84Å; T314-L319 WeakPolarHBondContact OG1-CD1 3.41Å
315	N	55.6	Low	59.1	Low	108 Å²	108	74.8 Å²	74.8	58%	0.578	37%	0.368	S	S	*	.			trans	-45.8	114.4	170.7	-73.4	-25	0	0	0	108.4	E317 E318	N315-E317 PolarHBondContact O-N 3.31Å; N315-E318 HydrophobicContact CB-CG 4.32Å; N315-E318 PolarHBondContact ND2-OE1 3.5Å; N315-E318 PolarHBondContact O-N 2.88Å; N315-E318 VanDerWaalsContact O-N 3.09Å
316	T	56.4	Low	60.2	Low	94 Å²	94	74 Å²	74	58%	0.577	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-61	-18.7	-177.6	45.8	0	0	0	0	112.2	T314 E318	T314-T316 PolarHBondContact O-N 2.84Å; T316-E318 VanDerWaalsContact C-N 3.29Å; T316-E318 PolarHBondContact O-N 3.4Å
317	E	59.9	Low	61.2	Low	154 Å²	154	69.1 Å²	69.1	72%	0.72	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-70.1	-20.3	177.7	-58.3	-171	166.9	0	0	113.7	N315	N315-E317 PolarHBondContact O-N 3.31Å
318	E	66.1	Low	62.2	Low	18 Å²	18	66.9 Å²	66.9	8%	0.084	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-97.3	-4.1	-177	-64.9	173.5	-162.4	0	0	113.5	V261 P266 V269 N315 T316	V261-E318 WeakPolarHBondContact CG1-OE2 3.35Å; P266-E318 VanDerWaalsContact CB-OE1 3.27Å; P266-E318 WeakPolarHBondContact CB-OE1 3.38Å; P266-E318 WeakPolarHBondContact CB-OE2 3.43Å; P266-E318 WeakPolarHBondContact CG-OE1 3.38Å; V269-E318 PolarHBondContact N-O 3.18Å; N315-E318 HydrophobicContact CB-CG 4.32Å; N315-E318 PolarHBondContact ND2-OE1 3.5Å; N315-E318 PolarHBondContact O-N 2.88Å; N315-E318 VanDerWaalsContact O-N 3.09Å; T316-E318 VanDerWaalsContact C-N 3.29Å; T316-E318 PolarHBondContact O-N 3.4Å
319	L	72.4	Confident	63.3	Low	34 Å²	34	69.5 Å²	69.5	18%	0.178	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	113.6	179.6	-77.5	156.8	0	0	0	110	V269 L271 I286 T314	V269-L319 HydrophobicContact CB-CD2 4.01Å; V269-L319 HydrophobicContact CG1-CD2 4.3Å; L271-L319 HydrophobicContact CD1-CD2 4Å; L271-L319 HydrophobicContact CG-CD2 4.26Å; I286-L319 HydrophobicContact CD1-CD1 4.08Å; I286-L319 HydrophobicContact CD1-CD2 4.31Å; T314-L319 WeakPolarHBondContact OG1-CD1 3.41Å
320	T	76.9	Confident	64.2	Low	13 Å²	13	68.8 Å²	68.8	8%	0.08	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	139.6	174.6	55.8	0	0	0	0	110.8	V269 V270 L271 A341	V269-T320 PolarHBondContact O-N 3.13Å; V269-T320 PolarHBondContact O-OG1 3.05Å; V270-T320 WeakPolarHBondContact CA-O 3.17Å; V270-T320 WeakPolarHBondContact CG2-OG1 3.31Å; L271-T320 PolarHBondContact N-O 2.83Å; T320-A341 HydrophobicContact CG2-CB 3.5Å; T320-A341 VanDerWaalsContact CG2-CB 3.5Å; T320-A341 VanDerWaalsContact OG1-CB 3.25Å; T320-A341 WeakPolarHBondContact OG1-CB 3.29Å
321	I	78.1	Confident	64.9	Low	58 Å²	58	66.6 Å²	66.6	30%	0.297	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	127.8	-179.8	-62.6	160.9	0	0	0	108.5	F283 I286	F283-I321 HydrophobicContact CD2-CD1 3.85Å; F283-I321 HydrophobicContact CD2-CG1 4.07Å; F283-I321 HydrophobicContact CD2-CG2 3.64Å; F283-I321 HydrophobicContact CE2-CD1 3.93Å; F283-I321 HydrophobicContact CE2-CG1 4.45Å; F283-I321 HydrophobicContact CE2-CG2 3.66Å; I286-I321 HydrophobicContact CG2-CD1 4.41Å
322	F	80.7	Confident	66.3	Low	0 Å²	0	65.4 Å²	65.4	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	117.8	171.9	173.1	-112.6	0	0	0	109.8	L114 V270 L271 C272 K273 V327 E332 L334 K337	L114-F322 HydrophobicContact CD1-CE1 4.06Å; V270-F322 HydrophobicContact CG1-CB 3.93Å; L271-F322 PolarHBondContact O-N 3.01Å; C272-F322 HydrophobicContact CB-CD1 4.48Å; K273-F322 WeakPolarHBondContact CB-O 3.39Å; K273-F322 PolarHBondContact N-O 3.16Å; F322-V327 HydrophobicContact CE2-CG2 4.36Å; F322-E332 WeakPolarHBondContact CE2-O 3.49Å; F322-L334 HydrophobicContact CB-CD1 4.44Å; F322-L334 HydrophobicContact CD1-CD1 3.72Å; F322-L334 HydrophobicContact CD2-CB 4.26Å; F322-L334 HydrophobicContact CD2-CD1 4.1Å; F322-L334 HydrophobicContact CE1-CB 4.14Å; F322-L334 HydrophobicContact CE1-CD1 3.91Å; F322-L334 HydrophobicContact CE1-CG 4.44Å; F322-L334 HydrophobicContact CE2-CB 3.69Å; F322-L334 HydrophobicContact CE2-CD1 4.28Å; F322-L334 HydrophobicContact CG-CD1 3.81Å; F322-L334 HydrophobicContact CZ-CB 3.62Å; F322-L334 HydrophobicContact CZ-CD1 4.2Å; F322-L334 HydrophobicContact CZ-CG 4.4Å; F322-K337 HydrophobicContact CD2-CB 4.38Å; F322-K337 HydrophobicContact CD2-CG 4.06Å
323	D	78	Confident	67.8	Low	32 Å²	32	65 Å²	65	17%	0.171	35%	0.348	C	S	.	.			trans	-105.6	90.8	171.8	-169.8	-1.1	0	0	0	110	K273 N274 L325 S326	K273-D323 HydrophobicContact CB-CB 4.38Å; K273-D323 HydrophobicContact CD-CB 3.99Å; K273-D323 WeakPolarHBondContact CD-OD2 3.43Å; K273-D323 WeakPolarHBondContact CE-OD2 3.21Å; K273-D323 IonicContact NZ-OD2 2.67Å; K273-D323 PolarHBondContact NZ-OD2 3.21Å; N274-D323 PolarHBondContact ND2-OD1 3.4Å; N274-D323 VanDerWaalsContact ND2-OD1 3.09Å; D323-L325 PolarHBondContact O-N 3.22Å; D323-L325 VanDerWaalsContact O-N 3.16Å; D323-L325 PolarHBondContact OD1-N 2.91Å; D323-S326 WeakPolarHBondContact CB-OG 3.49Å; D323-S326 VanDerWaalsContact CG-OG 3.27Å; D323-S326 PolarHBondContact O-N 2.77Å; D323-S326 PolarHBondContact O-OG 2.88Å; D323-S326 PolarHBondContact OD2-OG 3.22Å
324	G	67.5	Low	69.6	Low	4 Å²	4	59.3 Å²	59.3	4%	0.041	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-3.6	-177.2	0	0	0	0	0	114.9
325	L	69.3	Low	71.2	Confident	95 Å²	95	58.3 Å²	58.3	50%	0.497	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-16.1	175.2	-65.7	-177.3	0	0	0	113.2	A113 L114 N274 D323	A113-L325 HydrophobicContact CB-CD2 4.1Å; L114-L325 HydrophobicContact CB-CD2 4.35Å; N274-L325 HydrophobicContact CB-CD1 3.95Å; N274-L325 WeakPolarHBondContact ND2-CD1 3.37Å; D323-L325 PolarHBondContact O-N 3.22Å; D323-L325 VanDerWaalsContact O-N 3.16Å; D323-L325 PolarHBondContact OD1-N 2.91Å
326	S	69.2	Low	72.7	Confident	51 Å²	51	53.4 Å²	53.4	36%	0.357	29%	0.29	S	S	.	.	S	Bend	trans	-110.9	25.7	-178	72.2	0	0	0	0	112.8	D323 I328	D323-S326 WeakPolarHBondContact CB-OG 3.49Å; D323-S326 VanDerWaalsContact CG-OG 3.27Å; D323-S326 PolarHBondContact O-N 2.77Å; D323-S326 PolarHBondContact O-OG 2.88Å; D323-S326 PolarHBondContact OD2-OG 3.22Å; S326-I328 PolarHBondContact O-N 3.49Å
327	V	68.3	Low	74.1	Confident	41 Å²	41	52 Å²	52	25%	0.248	28%	0.276	C	S	.	.			trans	-72.6	98.7	180	-175.2	0	0	0	0	109.1	F322 E332 Q333	F322-V327 HydrophobicContact CE2-CG2 4.36Å; V327-E332 HydrophobicContact CG1-CB 4.26Å; V327-Q333 HydrophobicContact CG1-CG 3.91Å
328	I	66.3	Low	75.5	Confident	148 Å²	148	44.7 Å²	44.7	76%	0.759	24%	0.242	S	C	*	.			trans	-103.2	-42.9	173.1	-58.5	171.2	0	0	0	108.9	S326 E332	S326-I328 PolarHBondContact O-N 3.49Å; I328-E332 PolarHBondContact N-OE2 3.43Å
329	N	69.6	Low	76.5	Confident	93 Å²	93	44.1 Å²	44.1	50%	0.497	24%	0.239	S	C	.	.	S	Bend	trans	-101.1	155.8	-175.7	-67.3	-21.5	0	0	0	112.1	E331 E332	N329-E331 PolarHBondContact O-N 2.99Å; N329-E332 HydrophobicContact CB-CG 4.38Å; N329-E332 PolarHBondContact N-OE2 3.39Å; N329-E332 VanDerWaalsContact N-OE2 3.14Å; N329-E332 WeakPolarHBondContact O-CB 3.28Å; N329-E332 PolarHBondContact O-N 3.28Å; N329-E332 VanDerWaalsContact O-N 3.08Å
330	A	66.7	Low	77	Confident	63 Å²	63	44.4 Å²	44.4	52%	0.521	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-60.5	-31.4	176.3	0	0	0	0	0	112.8	E332 Q333 C336	A330-E332 PolarHBondContact O-N 3.21Å; A330-Q333 VanDerWaalsContact O-CB 3.28Å; A330-Q333 WeakPolarHBondContact O-CB 3.33Å; A330-Q333 WeakPolarHBondContact O-CG 3.32Å; A330-Q333 PolarHBondContact O-N 3.35Å; A330-C336 PolarHBondContact O-SG 2.97Å
331	E	65.8	Low	77.4	Confident	110 Å²	110	43.8 Å²	43.8	51%	0.514	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-66.5	-21.4	176.7	-65.5	171.7	-157.8	0	0	113.6	N329 Q333 K337	N329-E331 PolarHBondContact O-N 2.99Å; E331-Q333 VanDerWaalsContact C-N 3.31Å; E331-K337 WeakPolarHBondContact O-CE 3.28Å
332	E	72.5	Confident	77.7	Confident	59 Å²	59	41 Å²	41	28%	0.276	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-87.5	-5.3	-179.8	-64.2	176	149.3	0	0	112.5	F322 V327 I328 N329 A330	F322-E332 WeakPolarHBondContact CE2-O 3.49Å; V327-E332 HydrophobicContact CG1-CB 4.26Å; I328-E332 PolarHBondContact N-OE2 3.43Å; N329-E332 HydrophobicContact CB-CG 4.38Å; N329-E332 PolarHBondContact N-OE2 3.39Å; N329-E332 VanDerWaalsContact N-OE2 3.14Å; N329-E332 WeakPolarHBondContact O-CB 3.28Å; N329-E332 PolarHBondContact O-N 3.28Å; N329-E332 VanDerWaalsContact O-N 3.08Å; A330-E332 PolarHBondContact O-N 3.21Å
333	Q	83.8	Confident	77.7	Confident	47 Å²	47	41.9 Å²	41.9	22%	0.22	23%	0.227	C	C	.	.	S	Bend	trans	-66.4	149.2	177.2	-61.6	175.7	-4.3	0	0	111.2	V327 A330 E331 D335 C336 K337	V327-Q333 HydrophobicContact CG1-CG 3.91Å; A330-Q333 VanDerWaalsContact O-CB 3.28Å; A330-Q333 WeakPolarHBondContact O-CB 3.33Å; A330-Q333 WeakPolarHBondContact O-CG 3.32Å; A330-Q333 PolarHBondContact O-N 3.35Å; E331-Q333 VanDerWaalsContact C-N 3.31Å; Q333-D335 VanDerWaalsContact C-N 3.29Å; Q333-D335 WeakPolarHBondContact CB-OD1 3.4Å; Q333-D335 PolarHBondContact O-N 3.39Å; Q333-C336 PolarHBondContact O-N 3.33Å; Q333-K337 WeakPolarHBondContact O-CG 3.24Å; Q333-K337 PolarHBondContact O-N 3.26Å
334	L	86.4	Confident	77.6	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-59.7	-38.4	-174.2	176.1	64.4	0	0	0	112.6	F118 L245 F322 K337 I338	F118-L334 HydrophobicContact CB-CD2 4.35Å; F118-L334 HydrophobicContact CD2-CD2 3.59Å; F118-L334 HydrophobicContact CE2-CD2 4.09Å; F118-L334 HydrophobicContact CG-CD2 4.1Å; L245-L334 HydrophobicContact CD1-CD1 4.22Å; F322-L334 HydrophobicContact CB-CD1 4.44Å; F322-L334 HydrophobicContact CD1-CD1 3.72Å; F322-L334 HydrophobicContact CD2-CB 4.26Å; F322-L334 HydrophobicContact CD2-CD1 4.1Å; F322-L334 HydrophobicContact CE1-CB 4.14Å; F322-L334 HydrophobicContact CE1-CD1 3.91Å; F322-L334 HydrophobicContact CE1-CG 4.44Å; F322-L334 HydrophobicContact CE2-CB 3.69Å; F322-L334 HydrophobicContact CE2-CD1 4.28Å; F322-L334 HydrophobicContact CG-CD1 3.81Å; F322-L334 HydrophobicContact CZ-CB 3.62Å; F322-L334 HydrophobicContact CZ-CD1 4.2Å; F322-L334 HydrophobicContact CZ-CG 4.4Å; L334-K337 PolarHBondContact O-N 3.46Å; L334-I338 HydrophobicContact CD1-CD1 3.93Å; L334-I338 HydrophobicContact CD1-CG1 4.05Å; L334-I338 HydrophobicContact CD2-CD1 4.31Å; L334-I338 HydrophobicContact CG-CD1 3.72Å; L334-I338 HydrophobicContact CG-CG1 4.29Å; L334-I338 WeakPolarHBondContact O-CB 3.48Å; L334-I338 VanDerWaalsContact O-CG1 3.23Å; L334-I338 WeakPolarHBondContact O-CG1 3.37Å; L334-I338 PolarHBondContact O-N 3.18Å
335	D	86.9	Confident	77.5	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-62	-49	177.8	59.3	-34.2	0	0	0	111.5	R124 V125 Q333 K337 I338 L339 R362	R124-D335 HydrophobicContact CB-CB 4.28Å; V125-D335 HydrophobicContact CG2-CB 3.51Å; Q333-D335 VanDerWaalsContact C-N 3.29Å; Q333-D335 WeakPolarHBondContact CB-OD1 3.4Å; Q333-D335 PolarHBondContact O-N 3.39Å; D335-K337 VanDerWaalsContact C-N 3.32Å; D335-K337 PolarHBondContact O-N 3.04Å; D335-I338 PolarHBondContact O-N 3.35Å; D335-L339 WeakPolarHBondContact O-CG 3.45Å; D335-L339 PolarHBondContact O-N 2.97Å; D335-R362 IonicContact OD2-CZ 3.88Å; D335-R362 IonicContact OD2-NH1 3.93Å; D335-R362 PolarHBondContact OD2-NH1 2.92Å; D335-R362 IonicContact OD2-NH2 2.74Å
336	C	86.1	Confident	77.3	Confident	6 Å²	6	43.1 Å²	43.1	4%	0.041	23%	0.228	C	C	.	.	H	α-helix	trans	-59.3	-42.2	175.4	-62.3	0	0	0	0	111.5	A330 Q333 L339 N340 R362 M365	A330-C336 PolarHBondContact O-SG 2.97Å; Q333-C336 PolarHBondContact O-N 3.33Å; C336-L339 PolarHBondContact O-N 3.37Å; C336-N340 WeakPolarHBondContact O-CB 3.33Å; C336-N340 VanDerWaalsContact O-CG 3.25Å; C336-N340 PolarHBondContact O-N 3.15Å; C336-N340 PolarHBondContact O-ND2 3.46Å; C336-R362 PolarHBondContact SG-NH2 3.16Å; C336-M365 HydrophobicContact CB-SD 4.43Å
337	K	86.7	Confident	76.6	Confident	64 Å²	64	47 Å²	47	28%	0.278	26%	0.255	S	S	.	.	H	α-helix	trans	-66.3	-42.1	178.2	-67.8	-70.6	179.4	-179	0	112.7	F322 E331 Q333 L334 D335 N340 A341	F322-K337 HydrophobicContact CD2-CB 4.38Å; F322-K337 HydrophobicContact CD2-CG 4.06Å; E331-K337 WeakPolarHBondContact O-CE 3.28Å; Q333-K337 WeakPolarHBondContact O-CG 3.24Å; Q333-K337 PolarHBondContact O-N 3.26Å; L334-K337 PolarHBondContact O-N 3.46Å; D335-K337 VanDerWaalsContact C-N 3.32Å; D335-K337 PolarHBondContact O-N 3.04Å; K337-N340 PolarHBondContact O-N 3.01Å; K337-A341 WeakPolarHBondContact O-CB 3.26Å; K337-A341 PolarHBondContact O-N 3.37Å
338	I	87.9	Confident	76.4	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-59.5	-48.4	175.1	-74.2	167.3	0	0	0	110.5	I99 L122 V243 V270 L334 D335 A341 L342	I99-I338 HydrophobicContact CD1-CD1 4.45Å; L122-I338 HydrophobicContact CD2-CD1 4.36Å; V243-I338 HydrophobicContact CB-CG2 4.45Å; V243-I338 HydrophobicContact CG1-CG2 3.77Å; V243-I338 HydrophobicContact CG2-CG2 4.32Å; V270-I338 HydrophobicContact CG2-CG1 4.34Å; L334-I338 HydrophobicContact CD1-CD1 3.93Å; L334-I338 HydrophobicContact CD1-CG1 4.05Å; L334-I338 HydrophobicContact CD2-CD1 4.31Å; L334-I338 HydrophobicContact CG-CD1 3.72Å; L334-I338 HydrophobicContact CG-CG1 4.29Å; L334-I338 WeakPolarHBondContact O-CB 3.48Å; L334-I338 VanDerWaalsContact O-CG1 3.23Å; L334-I338 WeakPolarHBondContact O-CG1 3.37Å; L334-I338 PolarHBondContact O-N 3.18Å; D335-I338 PolarHBondContact O-N 3.35Å; I338-A341 WeakPolarHBondContact O-CB 3.47Å; I338-A341 PolarHBondContact O-N 2.89Å; I338-L342 HydrophobicContact CG2-CD1 4.28Å; I338-L342 WeakPolarHBondContact O-CG 3.25Å; I338-L342 PolarHBondContact O-N 3.39Å; I338-L342 VanDerWaalsContact O-N 3.16Å
339	L	87	Confident	76.8	Confident	5 Å²	5	42 Å²	42	3%	0.026	24%	0.235	C	C	.	.	H	α-helix	trans	-69.8	-40	-177.8	-61.3	173.9	0	0	0	111.4	L97 D335 C336 A341 L342 L343 W360 R362 M365	L97-L339 HydrophobicContact CD2-CD2 4.2Å; D335-L339 WeakPolarHBondContact O-CG 3.45Å; D335-L339 PolarHBondContact O-N 2.97Å; C336-L339 PolarHBondContact O-N 3.37Å; L339-A341 VanDerWaalsContact C-N 3.32Å; L339-A341 PolarHBondContact O-N 2.91Å; L339-L342 HydrophobicContact CD2-CD1 4.42Å; L339-L342 WeakPolarHBondContact O-CB 3.46Å; L339-L342 PolarHBondContact O-N 2.92Å; L339-L343 VanDerWaalsContact O-CG 3.31Å; L339-L343 WeakPolarHBondContact O-CG 3.13Å; L339-L343 PolarHBondContact O-N 3.32Å; L339-W360 HydrophobicContact CB-CZ3 4.28Å; L339-W360 HydrophobicContact CD2-CD2 3.87Å; L339-W360 HydrophobicContact CD2-CE3 3.52Å; L339-W360 HydrophobicContact CD2-CH2 4.19Å; L339-W360 HydrophobicContact CD2-CZ2 4.5Å; L339-W360 HydrophobicContact CD2-CZ3 3.69Å; L339-W360 HydrophobicContact CG-CE3 4.46Å; L339-R362 HydrophobicContact CD1-CG 3.72Å; L339-M365 HydrophobicContact CB-CE 3.42Å; L339-M365 VanDerWaalsContact CB-CE 3.42Å; L339-M365 HydrophobicContact CB-SD 4.42Å; L339-M365 HydrophobicContact CD1-CE 4.28Å
340	N	84.5	Confident	77.2	Confident	40 Å²	40	41.4 Å²	41.4	21%	0.214	23%	0.229	C	C	.	.	H	α-helix	trans	-62.9	-38.2	173.7	-78.8	-30.5	0	0	0	112.2	C336 K337 L342 L343 Q344	C336-N340 WeakPolarHBondContact O-CB 3.33Å; C336-N340 VanDerWaalsContact O-CG 3.25Å; C336-N340 PolarHBondContact O-N 3.15Å; C336-N340 PolarHBondContact O-ND2 3.46Å; K337-N340 PolarHBondContact O-N 3.01Å; N340-L342 VanDerWaalsContact C-N 3.28Å; N340-L342 PolarHBondContact O-N 3.3Å; N340-L343 PolarHBondContact O-N 3.19Å; N340-Q344 WeakPolarHBondContact O-CB 3.38Å; N340-Q344 VanDerWaalsContact O-CG 3.28Å; N340-Q344 WeakPolarHBondContact O-CG 3.2Å; N340-Q344 PolarHBondContact O-N 2.79Å
341	A	83.4	Confident	77.7	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-59.8	-40	173.6	0	0	0	0	0	112	P268 V270 T320 K337 I338 L339 G345	P268-A341 HydrophobicContact CB-CB 4.19Å; P268-A341 WeakPolarHBondContact CB-O 3.45Å; V270-A341 HydrophobicContact CG2-CB 3.81Å; T320-A341 HydrophobicContact CG2-CB 3.5Å; T320-A341 VanDerWaalsContact CG2-CB 3.5Å; T320-A341 VanDerWaalsContact OG1-CB 3.25Å; T320-A341 WeakPolarHBondContact OG1-CB 3.29Å; K337-A341 WeakPolarHBondContact O-CB 3.26Å; K337-A341 PolarHBondContact O-N 3.37Å; I338-A341 WeakPolarHBondContact O-CB 3.47Å; I338-A341 PolarHBondContact O-N 2.89Å; L339-A341 VanDerWaalsContact C-N 3.32Å; L339-A341 PolarHBondContact O-N 2.91Å; A341-G345 PolarHBondContact O-N 2.93Å
342	L	85.2	Confident	78.3	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-69.4	-34.8	176.5	-71	161.7	0	0	0	113.4	L97 P241 I242 V243 P268 I338 L339 N340 W360	L97-L342 HydrophobicContact CD1-CD1 3.39Å; L97-L342 HydrophobicContact CD1-CD2 4.45Å; L97-L342 HydrophobicContact CD2-CD1 4.36Å; P241-L342 HydrophobicContact CB-CD2 3.93Å; I242-L342 VanDerWaalsContact O-CD2 3.29Å; I242-L342 WeakPolarHBondContact O-CD2 3.08Å; V243-L342 HydrophobicContact CB-CD1 4.29Å; V243-L342 HydrophobicContact CB-CD2 3.85Å; V243-L342 HydrophobicContact CB-CG 4.03Å; V243-L342 HydrophobicContact CG1-CD1 4.48Å; V243-L342 HydrophobicContact CG2-CG 4.48Å; P268-L342 HydrophobicContact CG-CD2 3.83Å; P268-L342 HydrophobicContact CG-CG 4.38Å; I338-L342 HydrophobicContact CG2-CD1 4.28Å; I338-L342 WeakPolarHBondContact O-CG 3.25Å; I338-L342 PolarHBondContact O-N 3.39Å; I338-L342 VanDerWaalsContact O-N 3.16Å; L339-L342 HydrophobicContact CD2-CD1 4.42Å; L339-L342 WeakPolarHBondContact O-CB 3.46Å; L339-L342 PolarHBondContact O-N 2.92Å; N340-L342 VanDerWaalsContact C-N 3.28Å; N340-L342 PolarHBondContact O-N 3.3Å; L342-W360 HydrophobicContact CB-CH2 3.64Å; L342-W360 HydrophobicContact CB-CZ2 4.48Å; L342-W360 HydrophobicContact CB-CZ3 4.44Å; L342-W360 HydrophobicContact CD1-CH2 3.56Å; L342-W360 HydrophobicContact CD1-CZ2 3.77Å; L342-W360 HydrophobicContact CD1-CZ3 4.45Å; L342-W360 HydrophobicContact CG-CH2 4.22Å
343	L	81	Confident	78.9	Confident	17 Å²	17	38.3 Å²	38.3	9%	0.089	21%	0.205	C	C	.	.	H	α-helix	trans	-76	-31.4	178	-65.6	171.5	0	0	0	112.5	L339 N340 R353 L357 W360 M365	L339-L343 VanDerWaalsContact O-CG 3.31Å; L339-L343 WeakPolarHBondContact O-CG 3.13Å; L339-L343 PolarHBondContact O-N 3.32Å; N340-L343 PolarHBondContact O-N 3.19Å; L343-R353 HydrophobicContact CD2-CB 3.84Å; L343-R353 HydrophobicContact CD2-CG 3.97Å; L343-R353 PolarHBondContact O-NE 3.13Å; L343-R353 PolarHBondContact O-NH2 3.14Å; L343-L357 HydrophobicContact CD1-CD1 4.13Å; L343-L357 HydrophobicContact CD1-CD2 3.87Å; L343-L357 HydrophobicContact CD1-CG 4.1Å; L343-L357 HydrophobicContact CD2-CG 4.28Å; L343-W360 HydrophobicContact CD2-CZ3 4.35Å; L343-W360 HydrophobicContact CG-CZ3 4.46Å; L343-M365 HydrophobicContact CD1-CE 3.63Å
344	Q	76.5	Confident	78.9	Confident	110 Å²	110	36.2 Å²	36.2	51%	0.514	20%	0.195	S	C	.	.	H	α-helix	trans	-80.9	-48.5	177.2	-71.9	175.1	-3.1	0	0	111.8	N340 R346	N340-Q344 WeakPolarHBondContact O-CB 3.38Å; N340-Q344 VanDerWaalsContact O-CG 3.28Å; N340-Q344 WeakPolarHBondContact O-CG 3.2Å; N340-Q344 PolarHBondContact O-N 2.79Å; Q344-R346 PolarHBondContact O-N 3.34Å; Q344-R346 VanDerWaalsContact O-N 3.15Å
345	G	63.6	Low	78.6	Confident	5 Å²	5	36.1 Å²	36.1	5%	0.052	20%	0.195	C	C	.	.	S	Bend	trans	-70.6	-8.5	-174.3	0	0	0	0	0	115	A341	A341-G345 PolarHBondContact O-N 2.93Å
346	R	65	Low	78.5	Confident	42 Å²	42	36.8 Å²	36.8	16%	0.158	20%	0.198	C	C	.	.	S	Bend	trans	-107.1	123.7	166.8	-72.6	-176.1	167.2	170.8	-3.3	108.7	L239 M240 Q344 S348	L239-R346 PolarHBondContact O-NH1 3.47Å; M240-R346 PolarHBondContact O-NH2 3.02Å; Q344-R346 PolarHBondContact O-N 3.34Å; Q344-R346 VanDerWaalsContact O-N 3.15Å; R346-S348 PolarHBondContact O-N 3.26Å
347	S	54.4	Low	78.5	Confident	132 Å²	132	36.6 Å²	36.6	92%	0.923	20%	0.197	S	C	*	.			trans	-68.6	41.6	166.2	53.1	0	0	0	0	111.9
348	S	64.6	Low	78.4	Confident	26 Å²	26	33.7 Å²	33.7	18%	0.182	18%	0.184	C	C	.	.			trans	-76.8	145.2	-178.7	64.7	0	0	0	0	110.2	R346 R353	R346-S348 PolarHBondContact O-N 3.26Å; S348-R353 WeakPolarHBondContact OG-CG 3.41Å
349	S	74.1	Confident	78	Confident	59 Å²	59	34.9 Å²	34.9	41%	0.413	20%	0.195	S	C	.	.			trans	-50.9	153.1	172.5	71.7	0	0	0	0	110.7	V351 D352 R353	S349-V351 PolarHBondContact O-N 3.34Å; S349-V351 VanDerWaalsContact O-N 3.16Å; S349-D352 PolarHBondContact N-OD2 3.19Å; S349-D352 WeakPolarHBondContact O-CB 3.07Å; S349-D352 PolarHBondContact O-N 3.23Å; S349-D352 PolarHBondContact OG-N 3.15Å; S349-D352 VanDerWaalsContact OG-N 3.14Å; S349-D352 PolarHBondContact OG-OD2 3.12Å; S349-R353 PolarHBondContact O-N 3Å; S349-R353 VanDerWaalsContact O-N 3.09Å
350	Q	78.5	Confident	77.8	Confident	81 Å²	81	34.7 Å²	34.7	38%	0.379	19%	0.193	S	C	.	.	H	α-helix	trans	-58.7	-30.7	178	-65.2	179	-3.9	0	0	112	R353 L354 M369 V374 W376	Q350-R353 WeakPolarHBondContact O-CB 3.29Å; Q350-R353 PolarHBondContact O-N 3.36Å; Q350-L354 PolarHBondContact O-N 2.87Å; Q350-M369 HydrophobicContact CB-CE 3.87Å; Q350-M369 HydrophobicContact CG-CE 4.2Å; Q350-V374 VanDerWaalsContact OE1-CG1 3.31Å; Q350-W376 HydrophobicContact CB-CH2 3.86Å; Q350-W376 HydrophobicContact CB-CZ3 3.64Å
351	V	77.7	Confident	77.8	Confident	31 Å²	31	34.8 Å²	34.8	19%	0.188	19%	0.194	C	C	.	.	H	α-helix	trans	-64.8	-43.4	174.4	-177.5	0	0	0	0	111.2	S349 R353 L354 S355 A380 S383 V384	S349-V351 PolarHBondContact O-N 3.34Å; S349-V351 VanDerWaalsContact O-N 3.16Å; V351-R353 VanDerWaalsContact C-N 3.32Å; V351-R353 PolarHBondContact O-N 3.28Å; V351-L354 PolarHBondContact O-N 3.36Å; V351-S355 WeakPolarHBondContact O-CB 3.22Å; V351-S355 PolarHBondContact O-N 2.8Å; V351-A380 HydrophobicContact CG2-CB 3.71Å; V351-S383 WeakPolarHBondContact CG1-OG 3.35Å; V351-V384 HydrophobicContact CG1-CG2 4.01Å
352	D	79.5	Confident	77.9	Confident	61 Å²	61	36 Å²	36	33%	0.326	20%	0.198	S	C	.	.	H	α-helix	trans	-63.1	-40.9	176.6	-70.2	-41.7	0	0	0	111.4	S349 S355 L356	S349-D352 PolarHBondContact N-OD2 3.19Å; S349-D352 WeakPolarHBondContact O-CB 3.07Å; S349-D352 PolarHBondContact O-N 3.23Å; S349-D352 PolarHBondContact OG-N 3.15Å; S349-D352 VanDerWaalsContact OG-N 3.14Å; S349-D352 PolarHBondContact OG-OD2 3.12Å; D352-S355 WeakPolarHBondContact CA-OG 3.39Å; D352-S355 PolarHBondContact O-N 3.38Å; D352-S355 PolarHBondContact O-OG 2.96Å; D352-L356 WeakPolarHBondContact O-CG 3.43Å; D352-L356 PolarHBondContact O-N 3.3Å
353	R	84	Confident	77.9	Confident	75 Å²	75	38.4 Å²	38.4	28%	0.283	21%	0.209	S	C	.	.	H	α-helix	trans	-57	-50.6	174.2	-70.2	-176.7	174.6	159.1	2.7	111.5	L343 S348 S349 Q350 V351 S355 L356 L357 M369	L343-R353 HydrophobicContact CD2-CB 3.84Å; L343-R353 HydrophobicContact CD2-CG 3.97Å; L343-R353 PolarHBondContact O-NE 3.13Å; L343-R353 PolarHBondContact O-NH2 3.14Å; S348-R353 WeakPolarHBondContact OG-CG 3.41Å; S349-R353 PolarHBondContact O-N 3Å; S349-R353 VanDerWaalsContact O-N 3.09Å; Q350-R353 WeakPolarHBondContact O-CB 3.29Å; Q350-R353 PolarHBondContact O-N 3.36Å; V351-R353 VanDerWaalsContact C-N 3.32Å; V351-R353 PolarHBondContact O-N 3.28Å; R353-S355 VanDerWaalsContact C-N 3.28Å; R353-S355 PolarHBondContact O-N 3.31Å; R353-L356 PolarHBondContact O-N 3.11Å; R353-L357 WeakPolarHBondContact O-CG 3.45Å; R353-L357 PolarHBondContact O-N 3.34Å; R353-M369 HydrophobicContact CB-CE 4.05Å; R353-M369 HydrophobicContact CB-SD 4.3Å
354	L	83.8	Confident	78	Confident	2 Å²	2	40.5 Å²	40.5	1%	0.01	22%	0.221	C	C	.	.	H	α-helix	trans	-59.6	-40.5	175.8	-74.7	-179.7	0	0	0	112.1	Q350 V351 L356 L357 L358 V366 M369 W376 L381 V384	Q350-L354 PolarHBondContact O-N 2.87Å; V351-L354 PolarHBondContact O-N 3.36Å; L354-L356 PolarHBondContact O-N 2.93Å; L354-L357 PolarHBondContact O-N 3.05Å; L354-L358 WeakPolarHBondContact O-CB 3.4Å; L354-L358 PolarHBondContact O-N 3.16Å; L354-V366 HydrophobicContact CD2-CG1 4Å; L354-V366 HydrophobicContact CD2-CG2 4.19Å; L354-M369 HydrophobicContact CD2-CG 4.44Å; L354-M369 HydrophobicContact CD2-SD 3.63Å; L354-M369 HydrophobicContact CG-CE 4.48Å; L354-M369 HydrophobicContact CG-SD 3.96Å; L354-W376 HydrophobicContact CD1-CE3 4.26Å; L354-W376 HydrophobicContact CD1-CH2 3.27Å; L354-W376 HydrophobicContact CD1-CZ2 3.9Å; L354-W376 HydrophobicContact CD1-CZ3 3.48Å; L354-W376 VanDerWaalsContact CD1-CZ3 3.48Å; L354-W376 HydrophobicContact CD2-CH2 4.38Å; L354-W376 HydrophobicContact CG-CH2 3.78Å; L354-W376 HydrophobicContact CG-CZ3 4.29Å; L354-L381 HydrophobicContact CD1-CD2 3.52Å; L354-V384 HydrophobicContact CB-CG1 4.23Å; L354-V384 HydrophobicContact CB-CG2 4.02Å
355	S	81.2	Confident	78.3	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-68.5	-34.5	-178.9	86	0	0	0	0	113.2	R238 V351 D352 R353 A359	R238-S355 PolarHBondContact NE-OG 2.83Å; R238-S355 VanDerWaalsContact NH1-CB 3.3Å; R238-S355 PolarHBondContact NH1-OG 2.95Å; R238-S355 VanDerWaalsContact NH2-CB 3.35Å; R238-S355 PolarHBondContact NH2-OG 2.91Å; V351-S355 WeakPolarHBondContact O-CB 3.22Å; V351-S355 PolarHBondContact O-N 2.8Å; D352-S355 WeakPolarHBondContact CA-OG 3.39Å; D352-S355 PolarHBondContact O-N 3.38Å; D352-S355 PolarHBondContact O-OG 2.96Å; R353-S355 VanDerWaalsContact C-N 3.28Å; R353-S355 PolarHBondContact O-N 3.31Å; S355-A359 WeakPolarHBondContact O-CB 3.49Å; S355-A359 PolarHBondContact O-N 3.31Å
356	L	83.3	Confident	79.2	Confident	14 Å²	14	35.7 Å²	35.7	7%	0.073	20%	0.197	C	C	.	.	H	α-helix	trans	-67.7	-44.7	172.9	-73	174.1	0	0	0	110.6	D352 R353 L354 L358 A359 W360	D352-L356 WeakPolarHBondContact O-CG 3.43Å; D352-L356 PolarHBondContact O-N 3.3Å; R353-L356 PolarHBondContact O-N 3.11Å; L354-L356 PolarHBondContact O-N 2.93Å; L356-L358 VanDerWaalsContact C-N 3.28Å; L356-L358 PolarHBondContact O-N 3.49Å; L356-A359 WeakPolarHBondContact O-CB 3.49Å; L356-A359 PolarHBondContact O-N 3.36Å; L356-A359 VanDerWaalsContact O-N 3.16Å; L356-W360 HydrophobicContact CB-CE3 4.38Å; L356-W360 HydrophobicContact CB-CH2 4.24Å; L356-W360 HydrophobicContact CB-CZ2 4.46Å; L356-W360 HydrophobicContact CB-CZ3 4.21Å; L356-W360 WeakPolarHBondContact O-CB 3.3Å; L356-W360 VanDerWaalsContact O-CG 3.25Å; L356-W360 PolarHBondContact O-N 2.91Å
357	L	86.2	Confident	80.2	Confident	2 Å²	2	38.3 Å²	38.3	1%	0.01	21%	0.207	C	C	.	.	H	α-helix	trans	-59.5	-39	175.4	-73	174.3	0	0	0	112.6	L343 R353 L354 W360 N361 R362 M365 V366	L343-L357 HydrophobicContact CD1-CD1 4.13Å; L343-L357 HydrophobicContact CD1-CD2 3.87Å; L343-L357 HydrophobicContact CD1-CG 4.1Å; L343-L357 HydrophobicContact CD2-CG 4.28Å; R353-L357 WeakPolarHBondContact O-CG 3.45Å; R353-L357 PolarHBondContact O-N 3.34Å; L354-L357 PolarHBondContact O-N 3.05Å; L357-W360 HydrophobicContact CD2-CE3 4.31Å; L357-W360 CarbonylContact O-C 3.6Å; L357-W360 PolarHBondContact O-N 3.49Å; L357-N361 PolarHBondContact O-N 3.09Å; L357-R362 HydrophobicContact CD2-CB 4.31Å; L357-R362 PolarHBondContact O-N 3.17Å; L357-R362 VanDerWaalsContact O-N 3.11Å; L357-M365 HydrophobicContact CD1-CB 4.25Å; L357-M365 HydrophobicContact CD2-CB 3.83Å; L357-M365 HydrophobicContact CD2-CE 3.58Å; L357-V366 HydrophobicContact CB-CG2 3.46Å; L357-V366 VanDerWaalsContact CB-CG2 3.46Å; L357-V366 HydrophobicContact CD1-CG2 3.59Å; L357-V366 HydrophobicContact CG-CG2 4.12Å
358	L	84.2	Confident	81.4	Confident	3 Å²	3	34.3 Å²	34.3	2%	0.016	17%	0.174	C	C	.	.	H	α-helix	trans	-66.3	-44.8	173.8	-174.2	155.6	0	0	0	111.9	L354 L356 W360 N361 V384 Q387 A388 F396	L354-L358 WeakPolarHBondContact O-CB 3.4Å; L354-L358 PolarHBondContact O-N 3.16Å; L356-L358 VanDerWaalsContact C-N 3.28Å; L356-L358 PolarHBondContact O-N 3.49Å; L358-W360 PolarHBondContact O-N 3.31Å; L358-N361 PolarHBondContact O-N 3.45Å; L358-N361 VanDerWaalsContact O-N 3.12Å; L358-V384 HydrophobicContact CD1-CG1 3.68Å; L358-V384 WeakPolarHBondContact CD1-O 3.36Å; L358-Q387 HydrophobicContact CD1-CB 4.08Å; L358-Q387 HydrophobicContact CD2-CB 3.91Å; L358-A388 HydrophobicContact CD1-CB 3.73Å; L358-F396 HydrophobicContact CB-CD1 4.37Å; L358-F396 HydrophobicContact CB-CE1 4.18Å; L358-F396 HydrophobicContact CG-CD1 4.44Å
359	A	80.8	Confident	82	Confident	27 Å²	27	34.4 Å²	34.4	22%	0.223	17%	0.172	C	C	.	.	H	α-helix	trans	-59.9	-33.2	175	0	0	0	0	0	111.7	S355 L356	S355-A359 WeakPolarHBondContact O-CB 3.49Å; S355-A359 PolarHBondContact O-N 3.31Å; L356-A359 WeakPolarHBondContact O-CB 3.49Å; L356-A359 PolarHBondContact O-N 3.36Å; L356-A359 VanDerWaalsContact O-N 3.16Å
360	W	83.3	Confident	82.3	Confident	1 Å²	1	32 Å²	32	0%	0.004	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-3.5	178	-60.7	-30.7	0	0	0	115.7	K96 L97 T129 P241 L339 L342 L343 L356 L357 L358 R362	K96-W360 PolarHBondContact O-NE1 3.38Å; L97-W360 HydrophobicContact CD1-CZ2 4.33Å; T129-W360 HydrophobicContact CG2-CB 3.7Å; T129-W360 HydrophobicContact CG2-CG 4.13Å; T129-W360 WeakPolarHBondContact CG2-O 3.36Å; P241-W360 HydrophobicContact CB-CZ2 3.81Å; P241-W360 HydrophobicContact CG-CZ2 3.58Å; L339-W360 HydrophobicContact CB-CZ3 4.28Å; L339-W360 HydrophobicContact CD2-CD2 3.87Å; L339-W360 HydrophobicContact CD2-CE3 3.52Å; L339-W360 HydrophobicContact CD2-CH2 4.19Å; L339-W360 HydrophobicContact CD2-CZ2 4.5Å; L339-W360 HydrophobicContact CD2-CZ3 3.69Å; L339-W360 HydrophobicContact CG-CE3 4.46Å; L342-W360 HydrophobicContact CB-CH2 3.64Å; L342-W360 HydrophobicContact CB-CZ2 4.48Å; L342-W360 HydrophobicContact CB-CZ3 4.44Å; L342-W360 HydrophobicContact CD1-CH2 3.56Å; L342-W360 HydrophobicContact CD1-CZ2 3.77Å; L342-W360 HydrophobicContact CD1-CZ3 4.45Å; L342-W360 HydrophobicContact CG-CH2 4.22Å; L343-W360 HydrophobicContact CD2-CZ3 4.35Å; L343-W360 HydrophobicContact CG-CZ3 4.46Å; L356-W360 HydrophobicContact CB-CE3 4.38Å; L356-W360 HydrophobicContact CB-CH2 4.24Å; L356-W360 HydrophobicContact CB-CZ2 4.46Å; L356-W360 HydrophobicContact CB-CZ3 4.21Å; L356-W360 WeakPolarHBondContact O-CB 3.3Å; L356-W360 VanDerWaalsContact O-CG 3.25Å; L356-W360 PolarHBondContact O-N 2.91Å; L357-W360 HydrophobicContact CD2-CE3 4.31Å; L357-W360 CarbonylContact O-C 3.6Å; L357-W360 PolarHBondContact O-N 3.49Å; L358-W360 PolarHBondContact O-N 3.31Å; W360-R362 VanDerWaalsContact C-N 3.31Å; W360-R362 PolarHBondContact O-N 3.06Å
361	N	83.3	Confident	82.2	Confident	41 Å²	41	34.9 Å²	34.9	22%	0.219	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	42.2	-177.8	-166.8	50.3	0	0	0	113.9	L357 L358 R393	L357-N361 PolarHBondContact O-N 3.09Å; L358-N361 PolarHBondContact O-N 3.45Å; L358-N361 VanDerWaalsContact O-N 3.12Å; N361-R393 VanDerWaalsContact CG-CZ 3.44Å; N361-R393 PolarHBondContact ND2-NH1 3.38Å; N361-R393 VanDerWaalsContact ND2-NH1 3.19Å; N361-R393 WeakPolarHBondContact OD1-CD 3.45Å; N361-R393 PolarHBondContact OD1-NH1 2.76Å
362	R	86.2	Confident	81.9	Confident	26 Å²	26	41.7 Å²	41.7	10%	0.098	19%	0.19	C	C	.	.			trans	-107.7	90.6	174.3	-71.6	-63.6	-61.7	-133	-16.9	111.8	D335 C336 L339 L357 W360 D364	D335-R362 IonicContact OD2-CZ 3.88Å; D335-R362 IonicContact OD2-NH1 3.93Å; D335-R362 PolarHBondContact OD2-NH1 2.92Å; D335-R362 IonicContact OD2-NH2 2.74Å; C336-R362 PolarHBondContact SG-NH2 3.16Å; L339-R362 HydrophobicContact CD1-CG 3.72Å; L357-R362 HydrophobicContact CD2-CB 4.31Å; L357-R362 PolarHBondContact O-N 3.17Å; L357-R362 VanDerWaalsContact O-N 3.11Å; W360-R362 VanDerWaalsContact C-N 3.31Å; W360-R362 PolarHBondContact O-N 3.06Å; R362-D364 IonicContact CZ-OD1 2.67Å; R362-D364 IonicContact CZ-OD2 3.87Å; R362-D364 VanDerWaalsContact CZ-OD2 3.27Å; R362-D364 IonicContact NE-OD1 3.52Å; R362-D364 PolarHBondContact NE-OD1 3.43Å; R362-D364 IonicContact NE-OD2 2.9Å; R362-D364 PolarHBondContact NE-OD2 3.49Å; R362-D364 IonicContact NH2-OD1 3.36Å; R362-D364 IonicContact NH2-OD2 3.92Å; R362-D364 PolarHBondContact NH2-OD2 2.86Å
363	E	83.8	Confident	81.3	Confident	51 Å²	51	41.7 Å²	41.7	24%	0.238	21%	0.205	C	C	.	.	H	α-helix	trans	-69.7	-37.8	-179.4	-171.1	-153.9	164	0	0	112.4	M365 V366 R367 D395 F396 L399	E363-M365 PolarHBondContact O-N 3.25Å; E363-V366 WeakPolarHBondContact O-CB 3.28Å; E363-V366 PolarHBondContact O-N 3.12Å; E363-V366 VanDerWaalsContact O-N 3.13Å; E363-R367 PolarHBondContact O-N 2.89Å; E363-R367 IonicContact OE1-CZ 3.18Å; E363-R367 IonicContact OE1-NH2 2.61Å; E363-R367 PolarHBondContact OE1-NH2 3.19Å; E363-R367 IonicContact OE2-NH2 2.62Å; E363-D395 HydrophobicContact CG-CB 3.9Å; E363-D395 VanDerWaalsContact OE2-CB 3.29Å; E363-D395 WeakPolarHBondContact OE2-CB 3.44Å; E363-F396 HydrophobicContact CB-CE2 4.08Å; E363-F396 HydrophobicContact CB-CZ 4.29Å; E363-L399 HydrophobicContact CG-CD1 3.97Å
364	D	84.2	Confident	80.6	Confident	62 Å²	62	40.6 Å²	40.6	33%	0.332	21%	0.206	S	C	.	.	H	α-helix	trans	-55.6	-47	-178.8	58.9	-34.1	0	0	0	112.7	R362 V366 R367 E368	R362-D364 IonicContact CZ-OD1 2.67Å; R362-D364 IonicContact CZ-OD2 3.87Å; R362-D364 VanDerWaalsContact CZ-OD2 3.27Å; R362-D364 IonicContact NE-OD1 3.52Å; R362-D364 PolarHBondContact NE-OD1 3.43Å; R362-D364 IonicContact NE-OD2 2.9Å; R362-D364 PolarHBondContact NE-OD2 3.49Å; R362-D364 IonicContact NH2-OD1 3.36Å; R362-D364 IonicContact NH2-OD2 3.92Å; R362-D364 PolarHBondContact NH2-OD2 2.86Å; D364-V366 VanDerWaalsContact C-N 3.33Å; D364-V366 PolarHBondContact O-N 3.38Å; D364-R367 WeakPolarHBondContact O-CB 3.45Å; D364-R367 PolarHBondContact O-N 3.06Å; D364-E368 PolarHBondContact O-N 3.4Å
365	M	82.7	Confident	79.8	Confident	10 Å²	10	49.5 Å²	49.5	5%	0.049	25%	0.248	C	C	.	.	H	α-helix	trans	-73.4	-27.5	179.1	-53	-136.6	-48.5	0	0	112.4	C336 L339 L343 L357 E363 M369	C336-M365 HydrophobicContact CB-SD 4.43Å; L339-M365 HydrophobicContact CB-CE 3.42Å; L339-M365 VanDerWaalsContact CB-CE 3.42Å; L339-M365 HydrophobicContact CB-SD 4.42Å; L339-M365 HydrophobicContact CD1-CE 4.28Å; L343-M365 HydrophobicContact CD1-CE 3.63Å; L357-M365 HydrophobicContact CD1-CB 4.25Å; L357-M365 HydrophobicContact CD2-CB 3.83Å; L357-M365 HydrophobicContact CD2-CE 3.58Å; E363-M365 PolarHBondContact O-N 3.25Å; M365-M369 WeakPolarHBondContact O-CB 3.44Å; M365-M369 PolarHBondContact O-N 3.33Å
366	V	83.1	Confident	79.4	Confident	3 Å²	3	51.6 Å²	51.6	2%	0.018	26%	0.256	C	S	.	.	H	α-helix	trans	-69.7	-39.6	172.5	170.6	0	0	0	0	110.9	L354 L357 E363 D364 E368 M369 L370 F396 L399	L354-V366 HydrophobicContact CD2-CG1 4Å; L354-V366 HydrophobicContact CD2-CG2 4.19Å; L357-V366 HydrophobicContact CB-CG2 3.46Å; L357-V366 VanDerWaalsContact CB-CG2 3.46Å; L357-V366 HydrophobicContact CD1-CG2 3.59Å; L357-V366 HydrophobicContact CG-CG2 4.12Å; E363-V366 WeakPolarHBondContact O-CB 3.28Å; E363-V366 PolarHBondContact O-N 3.12Å; E363-V366 VanDerWaalsContact O-N 3.13Å; D364-V366 VanDerWaalsContact C-N 3.33Å; D364-V366 PolarHBondContact O-N 3.38Å; V366-E368 VanDerWaalsContact C-N 3.34Å; V366-E368 PolarHBondContact O-N 2.95Å; V366-M369 PolarHBondContact O-N 3.41Å; V366-L370 HydrophobicContact CG1-CD1 3.59Å; V366-L370 HydrophobicContact CG1-CG 4.48Å; V366-L370 WeakPolarHBondContact O-CB 3.34Å; V366-L370 WeakPolarHBondContact O-CG 3.42Å; V366-L370 PolarHBondContact O-N 3.43Å; V366-F396 HydrophobicContact CB-CE1 4.23Å; V366-F396 HydrophobicContact CG1-CD1 4.41Å; V366-F396 HydrophobicContact CG2-CD1 4.16Å; V366-F396 HydrophobicContact CG2-CE1 3.61Å; V366-L399 HydrophobicContact CG1-CD2 3.87Å
367	R	84.8	Confident	78.7	Confident	97 Å²	97	58.2 Å²	58.2	37%	0.366	29%	0.286	S	S	.	.	H	α-helix	trans	-57.1	-50.3	174.8	-163.7	176.9	-60.9	122.3	-0.8	111	E363 D364 M369 L370 E371 L399	E363-R367 PolarHBondContact O-N 2.89Å; E363-R367 IonicContact OE1-CZ 3.18Å; E363-R367 IonicContact OE1-NH2 2.61Å; E363-R367 PolarHBondContact OE1-NH2 3.19Å; E363-R367 IonicContact OE2-NH2 2.62Å; D364-R367 WeakPolarHBondContact O-CB 3.45Å; D364-R367 PolarHBondContact O-N 3.06Å; R367-M369 VanDerWaalsContact C-N 3.34Å; R367-M369 PolarHBondContact O-N 3.45Å; R367-L370 PolarHBondContact O-N 2.97Å; R367-E371 WeakPolarHBondContact CD-OE1 3.35Å; R367-E371 HydrophobicContact CG-CG 4.35Å; R367-E371 VanDerWaalsContact CG-OE1 3.28Å; R367-E371 WeakPolarHBondContact CG-OE1 3.42Å; R367-E371 WeakPolarHBondContact O-CB 3.46Å; R367-E371 WeakPolarHBondContact O-CG 3.29Å; R367-E371 PolarHBondContact O-N 2.84Å; R367-L399 HydrophobicContact CB-CD1 3.68Å; R367-L399 HydrophobicContact CG-CD1 3.98Å
368	E	79.8	Confident	77.6	Confident	49 Å²	49	67 Å²	67	23%	0.229	33%	0.327	C	S	.	.	H	α-helix	trans	-61.4	-42	178.2	-165.1	-168.5	164.3	0	0	112	D364 V366 L370 R372	D364-E368 PolarHBondContact O-N 3.4Å; V366-E368 VanDerWaalsContact C-N 3.34Å; V366-E368 PolarHBondContact O-N 2.95Å; E368-L370 VanDerWaalsContact C-N 3.29Å; E368-L370 PolarHBondContact O-N 3.35Å; E368-R372 VanDerWaalsContact O-CG 3.24Å; E368-R372 WeakPolarHBondContact O-CG 3.47Å; E368-R372 PolarHBondContact O-N 3.21Å; E368-R372 IonicContact OE1-CZ 3.54Å; E368-R372 IonicContact OE1-NE 3.7Å; E368-R372 IonicContact OE1-NH2 3.42Å; E368-R372 PolarHBondContact OE1-NH2 3.48Å
369	M	78.5	Confident	77	Confident	28 Å²	28	70.4 Å²	70.4	14%	0.138	35%	0.351	C	S	.	.	H	α-helix	trans	-63.2	-36	178.3	-170.8	175.6	-176.1	0	0	112.5	Q350 R353 L354 M365 V366 R367 W376	Q350-M369 HydrophobicContact CB-CE 3.87Å; Q350-M369 HydrophobicContact CG-CE 4.2Å; R353-M369 HydrophobicContact CB-CE 4.05Å; R353-M369 HydrophobicContact CB-SD 4.3Å; L354-M369 HydrophobicContact CD2-CG 4.44Å; L354-M369 HydrophobicContact CD2-SD 3.63Å; L354-M369 HydrophobicContact CG-CE 4.48Å; L354-M369 HydrophobicContact CG-SD 3.96Å; M365-M369 WeakPolarHBondContact O-CB 3.44Å; M365-M369 PolarHBondContact O-N 3.33Å; V366-M369 PolarHBondContact O-N 3.41Å; R367-M369 VanDerWaalsContact C-N 3.34Å; R367-M369 PolarHBondContact O-N 3.45Å; M369-W376 HydrophobicContact CE-CH2 3.77Å; M369-W376 HydrophobicContact CE-CZ2 4.41Å; M369-W376 HydrophobicContact SD-CH2 4.44Å
370	L	78.7	Confident	76.7	Confident	8 Å²	8	70 Å²	70	4%	0.042	35%	0.348	C	S	.	.	H	α-helix	trans	-82.6	-35.6	-179.3	-73.9	163.6	0	0	0	112.7	V366 R367 E368 R372 G373 W376 L399 L400 N403	V366-L370 HydrophobicContact CG1-CD1 3.59Å; V366-L370 HydrophobicContact CG1-CG 4.48Å; V366-L370 WeakPolarHBondContact O-CB 3.34Å; V366-L370 WeakPolarHBondContact O-CG 3.42Å; V366-L370 PolarHBondContact O-N 3.43Å; R367-L370 PolarHBondContact O-N 2.97Å; E368-L370 VanDerWaalsContact C-N 3.29Å; E368-L370 PolarHBondContact O-N 3.35Å; L370-R372 PolarHBondContact O-N 2.98Å; L370-G373 PolarHBondContact O-N 3.09Å; L370-W376 HydrophobicContact CD2-CZ2 3.71Å; L370-L399 HydrophobicContact CB-CD2 4.25Å; L370-L399 HydrophobicContact CD1-CD2 3.06Å; L370-L399 HydrophobicContact CG-CD2 4.2Å; L370-L400 HydrophobicContact CD1-CD2 4.37Å; L370-N403 HydrophobicContact CB-CB 4.49Å; L370-N403 WeakPolarHBondContact CB-ND2 3.29Å; L370-N403 HydrophobicContact CD2-CB 4.13Å
371	E	78.2	Confident	76.7	Confident	142 Å²	142	70.4 Å²	70.4	66%	0.664	35%	0.35	S	S	*	.	H	α-helix	trans	-66.9	-23.6	175.3	-75.4	176.1	-177.4	0	0	113.2	R367 G373	R367-E371 WeakPolarHBondContact CD-OE1 3.35Å; R367-E371 HydrophobicContact CG-CG 4.35Å; R367-E371 VanDerWaalsContact CG-OE1 3.28Å; R367-E371 WeakPolarHBondContact CG-OE1 3.42Å; R367-E371 WeakPolarHBondContact O-CB 3.46Å; R367-E371 WeakPolarHBondContact O-CG 3.29Å; R367-E371 PolarHBondContact O-N 2.84Å; E371-G373 PolarHBondContact O-N 2.9Å
372	R	71.3	Confident	76.8	Confident	173 Å²	173	69.1 Å²	69.1	65%	0.653	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-0.4	174.6	-76.9	171.3	-174.9	-170.2	3.3	114.3	E368 L370	E368-R372 VanDerWaalsContact O-CG 3.24Å; E368-R372 WeakPolarHBondContact O-CG 3.47Å; E368-R372 PolarHBondContact O-N 3.21Å; E368-R372 IonicContact OE1-CZ 3.54Å; E368-R372 IonicContact OE1-NE 3.7Å; E368-R372 IonicContact OE1-NH2 3.42Å; E368-R372 PolarHBondContact OE1-NH2 3.48Å; L370-R372 PolarHBondContact O-N 2.98Å
373	G	65.4	Low	76.6	Confident	61 Å²	61	70.3 Å²	70.3	63%	0.629	36%	0.356	S	S	*	.			trans	74.8	29	166.7	0	0	0	0	0	114.3	L370 E371 E375	L370-G373 PolarHBondContact O-N 3.09Å; E371-G373 PolarHBondContact O-N 2.9Å; G373-E375 PolarHBondContact O-N 3.42Å
374	V	68.9	Low	76.6	Confident	52 Å²	52	68 Å²	68	32%	0.315	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-73.1	124.5	174.3	-174	0	0	0	0	109	Q350 W376	Q350-V374 VanDerWaalsContact OE1-CG1 3.31Å; V374-W376 PolarHBondContact O-N 2.83Å; V374-W376 PolarHBondContact O-NE1 3.3Å; V374-W376 VanDerWaalsContact O-NE1 3.12Å
375	E	68.2	Low	76.9	Confident	190 Å²	190	65.1 Å²	65.1	89%	0.888	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-69.6	120.1	170.6	-68.1	-178	173.6	0	0	109.1	G373	G373-E375 PolarHBondContact O-N 3.42Å
376	W	72.6	Confident	77.2	Confident	44 Å²	44	65.2 Å²	65.2	17%	0.167	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-94.5	138.1	178.9	-60.5	87.1	0	0	0	110	Q350 L354 M369 L370 V374 L381	Q350-W376 HydrophobicContact CB-CH2 3.86Å; Q350-W376 HydrophobicContact CB-CZ3 3.64Å; L354-W376 HydrophobicContact CD1-CE3 4.26Å; L354-W376 HydrophobicContact CD1-CH2 3.27Å; L354-W376 HydrophobicContact CD1-CZ2 3.9Å; L354-W376 HydrophobicContact CD1-CZ3 3.48Å; L354-W376 VanDerWaalsContact CD1-CZ3 3.48Å; L354-W376 HydrophobicContact CD2-CH2 4.38Å; L354-W376 HydrophobicContact CG-CH2 3.78Å; L354-W376 HydrophobicContact CG-CZ3 4.29Å; M369-W376 HydrophobicContact CE-CH2 3.77Å; M369-W376 HydrophobicContact CE-CZ2 4.41Å; M369-W376 HydrophobicContact SD-CH2 4.44Å; L370-W376 HydrophobicContact CD2-CZ2 3.71Å; V374-W376 PolarHBondContact O-N 2.83Å; V374-W376 PolarHBondContact O-NE1 3.3Å; V374-W376 VanDerWaalsContact O-NE1 3.12Å; W376-L381 HydrophobicContact CB-CD1 3.8Å; W376-L381 HydrophobicContact CB-CG 4.03Å; W376-L381 HydrophobicContact CD2-CD1 4.29Å; W376-L381 HydrophobicContact CD2-CD2 3.81Å; W376-L381 HydrophobicContact CD2-CG 4.16Å; W376-L381 HydrophobicContact CE3-CD2 3.74Å; W376-L381 HydrophobicContact CE3-CG 4.23Å; W376-L381 HydrophobicContact CG-CD1 3.78Å; W376-L381 HydrophobicContact CG-CD2 4.19Å; W376-L381 HydrophobicContact CG-CG 4.05Å; W376-L381 HydrophobicContact CZ3-CD2 4.2Å
377	E	68.8	Low	77.4	Confident	152 Å²	152	66.9 Å²	66.9	71%	0.71	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-61.9	136.8	165.2	-64.1	179.7	175.8	0	0	109.6	S379 A380	E377-S379 PolarHBondContact O-N 3.43Å; E377-A380 HydrophobicContact CB-CB 4.14Å; E377-A380 WeakPolarHBondContact O-CB 3.39Å; E377-A380 PolarHBondContact O-N 2.89Å
378	E	63.4	Low	77.6	Confident	186 Å²	186	62.3 Å²	62.3	87%	0.869	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-28	-169.8	-66	-176.4	167.7	0	0	113.9
379	S	70.5	Confident	78.1	Confident	75 Å²	75	60 Å²	60	52%	0.524	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-12.2	-178.6	62.7	0	0	0	0	114.4	E377 L381 D382	E377-S379 PolarHBondContact O-N 3.43Å; S379-L381 PolarHBondContact O-N 2.7Å; S379-D382 WeakPolarHBondContact O-CB 3.42Å; S379-D382 PolarHBondContact O-N 3.14Å
380	A	75.3	Confident	78.6	Confident	20 Å²	20	59.2 Å²	59.2	17%	0.165	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-37.9	-175.2	0	0	0	0	0	111.9	V351 E377 S383	V351-A380 HydrophobicContact CG2-CB 3.71Å; E377-A380 HydrophobicContact CB-CB 4.14Å; E377-A380 WeakPolarHBondContact O-CB 3.39Å; E377-A380 PolarHBondContact O-N 2.89Å; A380-S383 PolarHBondContact O-OG 3.02Å
381	L	83.7	Confident	78.8	Confident	8 Å²	8	62.5 Å²	62.5	4%	0.042	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-18.2	-178.9	-67.2	176.2	0	0	0	113.7	L354 W376 S379 S383 V384 M385 L400 V405	L354-L381 HydrophobicContact CD1-CD2 3.52Å; W376-L381 HydrophobicContact CB-CD1 3.8Å; W376-L381 HydrophobicContact CB-CG 4.03Å; W376-L381 HydrophobicContact CD2-CD1 4.29Å; W376-L381 HydrophobicContact CD2-CD2 3.81Å; W376-L381 HydrophobicContact CD2-CG 4.16Å; W376-L381 HydrophobicContact CE3-CD2 3.74Å; W376-L381 HydrophobicContact CE3-CG 4.23Å; W376-L381 HydrophobicContact CG-CD1 3.78Å; W376-L381 HydrophobicContact CG-CD2 4.19Å; W376-L381 HydrophobicContact CG-CG 4.05Å; W376-L381 HydrophobicContact CZ3-CD2 4.2Å; S379-L381 PolarHBondContact O-N 2.7Å; L381-S383 VanDerWaalsContact C-N 3.3Å; L381-S383 PolarHBondContact O-N 3.49Å; L381-V384 PolarHBondContact O-N 3.22Å; L381-V384 VanDerWaalsContact O-N 3.14Å; L381-M385 PolarHBondContact O-N 3.34Å; L381-L400 HydrophobicContact CD2-CD2 4.14Å; L381-V405 HydrophobicContact CB-CG2 3.76Å; L381-V405 HydrophobicContact CD1-CG2 3.78Å; L381-V405 HydrophobicContact CG-CG2 4.43Å
382	D	84.4	Confident	79.3	Confident	14 Å²	14	57.7 Å²	57.7	8%	0.075	30%	0.3	C	S	.	.	H	α-helix	trans	-58	-42.5	-178.1	-79.4	-3.3	0	0	0	112.5	S379 V384 M385 M386 F410 R415	S379-D382 WeakPolarHBondContact O-CB 3.42Å; S379-D382 PolarHBondContact O-N 3.14Å; D382-V384 VanDerWaalsContact C-N 3.28Å; D382-V384 PolarHBondContact O-N 2.93Å; D382-M385 PolarHBondContact O-N 3.44Å; D382-M386 WeakPolarHBondContact O-CB 3.36Å; D382-M386 PolarHBondContact O-N 3.43Å; D382-F410 HydrophobicContact CB-CD2 3.93Å; D382-F410 HydrophobicContact CB-CE2 4.31Å; D382-F410 WeakPolarHBondContact O-CE2 3.2Å; D382-F410 WeakPolarHBondContact OD1-CD2 3.44Å; D382-R415 VanDerWaalsContact CG-NH1 3.28Å; D382-R415 IonicContact OD1-NH1 2.72Å; D382-R415 IonicContact OD2-CZ 3.5Å; D382-R415 VanDerWaalsContact OD2-CZ 3.31Å; D382-R415 IonicContact OD2-NH1 3.52Å; D382-R415 PolarHBondContact OD2-NH1 2.99Å; D382-R415 IonicContact OD2-NH2 2.66Å; D382-R415 PolarHBondContact OD2-NH2 2.84Å
383	S	82.5	Confident	80.1	Confident	52 Å²	52	52.7 Å²	52.7	36%	0.364	28%	0.281	S	S	.	.	H	α-helix	trans	-62.9	-38.2	-179.8	69.3	0	0	0	0	111.7	V351 A380 L381 Q387	V351-S383 WeakPolarHBondContact CG1-OG 3.35Å; A380-S383 PolarHBondContact O-OG 3.02Å; L381-S383 VanDerWaalsContact C-N 3.3Å; L381-S383 PolarHBondContact O-N 3.49Å; S383-Q387 WeakPolarHBondContact O-CG 3.39Å; S383-Q387 PolarHBondContact O-N 3.39Å; S383-Q387 VanDerWaalsContact O-N 3.16Å
384	V	84.6	Confident	81.3	Confident	3 Å²	3	50.8 Å²	50.8	2%	0.018	26%	0.256	C	S	.	.	H	α-helix	trans	-72.7	-42.7	178.1	-174.9	0	0	0	0	110.1	V351 L354 L358 L381 D382 M386 Q387 A388 L400	V351-V384 HydrophobicContact CG1-CG2 4.01Å; L354-V384 HydrophobicContact CB-CG1 4.23Å; L354-V384 HydrophobicContact CB-CG2 4.02Å; L358-V384 HydrophobicContact CD1-CG1 3.68Å; L358-V384 WeakPolarHBondContact CD1-O 3.36Å; L381-V384 PolarHBondContact O-N 3.22Å; L381-V384 VanDerWaalsContact O-N 3.14Å; D382-V384 VanDerWaalsContact C-N 3.28Å; D382-V384 PolarHBondContact O-N 2.93Å; V384-M386 VanDerWaalsContact C-N 3.34Å; V384-M386 PolarHBondContact O-N 2.95Å; V384-Q387 PolarHBondContact O-N 3.32Å; V384-A388 WeakPolarHBondContact O-CB 3.39Å; V384-A388 PolarHBondContact O-N 3.36Å; V384-L400 HydrophobicContact CG1-CD1 4.17Å
385	M	89.5	Confident	82.3	Confident	0 Å²	0	52 Å²	52	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-58.6	-44.7	174.7	-180	62.6	87.4	0	0	111.5	L381 D382 Q387 A388 L389 V397 L400 L401 V405 F410	L381-M385 PolarHBondContact O-N 3.34Å; D382-M385 PolarHBondContact O-N 3.44Å; M385-Q387 PolarHBondContact O-N 3.47Å; M385-A388 WeakPolarHBondContact O-CB 3.45Å; M385-A388 PolarHBondContact O-N 3.26Å; M385-L389 HydrophobicContact CG-CD1 4.22Å; M385-L389 WeakPolarHBondContact O-CG 3.49Å; M385-L389 PolarHBondContact O-N 3.43Å; M385-L389 HydrophobicContact SD-CD1 4.44Å; M385-L389 HydrophobicContact SD-CG 4.42Å; M385-V397 HydrophobicContact SD-CB 4.47Å; M385-V397 HydrophobicContact SD-CG1 4.11Å; M385-V397 HydrophobicContact SD-CG2 4.19Å; M385-L400 HydrophobicContact CB-CD1 4.28Å; M385-L400 HydrophobicContact CE-CB 3.59Å; M385-L400 HydrophobicContact CE-CD1 4.35Å; M385-L400 HydrophobicContact SD-CB 4.43Å; M385-L400 HydrophobicContact SD-CD1 4.21Å; M385-L401 HydrophobicContact CE-CD2 3.83Å; M385-L401 HydrophobicContact CE-CG 3.8Å; M385-V405 HydrophobicContact CE-CB 3.89Å; M385-V405 HydrophobicContact CE-CG1 3.73Å; M385-V405 HydrophobicContact CE-CG2 4.15Å; M385-V405 HydrophobicContact CG-CG1 4.48Å; M385-F410 HydrophobicContact CB-CD2 4.22Å; M385-F410 HydrophobicContact CB-CE2 3.85Å; M385-F410 HydrophobicContact CB-CZ 4.18Å; M385-F410 HydrophobicContact CG-CD1 4.25Å; M385-F410 HydrophobicContact CG-CD2 4.09Å; M385-F410 HydrophobicContact CG-CE1 3.91Å; M385-F410 HydrophobicContact CG-CE2 3.77Å; M385-F410 HydrophobicContact CG-CG 4.33Å; M385-F410 HydrophobicContact CG-CZ 3.66Å
386	M	89.6	Confident	83.3	Confident	13 Å²	13	43.2 Å²	43.2	6%	0.064	22%	0.22	C	C	.	.	H	α-helix	trans	-61.5	-43.8	176.7	-172.4	58.1	-179.6	0	0	111.6	D382 V384 A388 L389 M390 F410 R415 E418 L419	D382-M386 WeakPolarHBondContact O-CB 3.36Å; D382-M386 PolarHBondContact O-N 3.43Å; V384-M386 VanDerWaalsContact C-N 3.34Å; V384-M386 PolarHBondContact O-N 2.95Å; M386-A388 VanDerWaalsContact C-N 3.34Å; M386-A388 PolarHBondContact O-N 3.21Å; M386-L389 PolarHBondContact O-N 3.39Å; M386-M390 HydrophobicContact CE-CG 4.23Å; M386-M390 HydrophobicContact CE-SD 4.28Å; M386-M390 HydrophobicContact CG-CE 4.09Å; M386-M390 WeakPolarHBondContact O-CB 3.17Å; M386-M390 VanDerWaalsContact O-CG 3.3Å; M386-M390 WeakPolarHBondContact O-CG 3.41Å; M386-M390 PolarHBondContact O-N 3.24Å; M386-F410 HydrophobicContact CB-CE2 4.19Å; M386-F410 HydrophobicContact CB-CZ 4.2Å; M386-F410 HydrophobicContact SD-CZ 4.31Å; M386-R415 HydrophobicContact SD-CB 4.37Å; M386-E418 HydrophobicContact CE-CB 3.69Å; M386-E418 VanDerWaalsContact CE-CD 3.42Å; M386-E418 HydrophobicContact CE-CG 3.57Å; M386-E418 WeakPolarHBondContact CE-OE2 3.41Å; M386-L419 HydrophobicContact CE-CD2 3.74Å; M386-L419 HydrophobicContact CE-CG 3.79Å; M386-L419 HydrophobicContact SD-CD1 4.42Å; M386-L419 HydrophobicContact SD-CD2 3.66Å; M386-L419 HydrophobicContact SD-CG 3.85Å
387	Q	86.3	Confident	84.1	Confident	38 Å²	38	41.1 Å²	41.1	18%	0.178	21%	0.212	C	C	.	.	H	α-helix	trans	-63.4	-38.5	175.1	-71.8	-176.8	-9	0	0	112.4	R238 L358 S383 V384 M385 M390 H391	R238-Q387 VanDerWaalsContact NH1-NE2 3.14Å; R238-Q387 VanDerWaalsContact NH2-NE2 3.15Å; L358-Q387 HydrophobicContact CD1-CB 4.08Å; L358-Q387 HydrophobicContact CD2-CB 3.91Å; S383-Q387 WeakPolarHBondContact O-CG 3.39Å; S383-Q387 PolarHBondContact O-N 3.39Å; S383-Q387 VanDerWaalsContact O-N 3.16Å; V384-Q387 PolarHBondContact O-N 3.32Å; M385-Q387 PolarHBondContact O-N 3.47Å; Q387-M390 HydrophobicContact CB-CE 4.42Å; Q387-M390 HydrophobicContact CG-CE 3.92Å; Q387-M390 PolarHBondContact O-N 3.17Å; Q387-H391 WeakPolarHBondContact O-CB 2.76Å; Q387-H391 PolarHBondContact O-CD2 3.47Å; Q387-H391 VanDerWaalsContact O-CD2 3.24Å; Q387-H391 PolarHBondContact O-N 3.01Å
388	A	89.5	Confident	85.1	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-64.4	-44.2	178.7	0	0	0	0	0	111.3	L358 V384 M385 M386 H391 D392 R393 F396 V397 L400	L358-A388 HydrophobicContact CD1-CB 3.73Å; V384-A388 WeakPolarHBondContact O-CB 3.39Å; V384-A388 PolarHBondContact O-N 3.36Å; M385-A388 WeakPolarHBondContact O-CB 3.45Å; M385-A388 PolarHBondContact O-N 3.26Å; M386-A388 VanDerWaalsContact C-N 3.34Å; M386-A388 PolarHBondContact O-N 3.21Å; A388-H391 PolarHBondContact O-N 3.37Å; A388-D392 PolarHBondContact O-N 2.7Å; A388-R393 PolarHBondContact O-N 2.94Å; A388-F396 HydrophobicContact CB-CB 4.2Å; A388-V397 HydrophobicContact CB-CG2 3.7Å; A388-L400 HydrophobicContact CB-CD1 4.36Å
389	L	90.9	Very high	86.3	Confident	1 Å²	1	29.3 Å²	29.3	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-64.5	-47.7	176.4	-70	170.4	0	0	0	111.6	M385 M386 H391 D392 V397 F410 L419 L521 W524 R530 M533 M537	M385-L389 HydrophobicContact CG-CD1 4.22Å; M385-L389 WeakPolarHBondContact O-CG 3.49Å; M385-L389 PolarHBondContact O-N 3.43Å; M385-L389 HydrophobicContact SD-CD1 4.44Å; M385-L389 HydrophobicContact SD-CG 4.42Å; M386-L389 PolarHBondContact O-N 3.39Å; L389-H391 VanDerWaalsContact C-N 3.33Å; L389-H391 PolarHBondContact O-N 3.49Å; L389-D392 PolarHBondContact O-N 2.91Å; L389-V397 HydrophobicContact CD2-CG1 4.32Å; L389-V397 HydrophobicContact CD2-CG2 3.91Å; L389-V397 HydrophobicContact CG-CG2 4.22Å; L389-F410 HydrophobicContact CD1-CE1 3.64Å; L389-F410 HydrophobicContact CD1-CZ 3.86Å; L389-L419 HydrophobicContact CB-CD1 4.49Å; L389-L419 HydrophobicContact CB-CD2 3.76Å; L389-L419 HydrophobicContact CD1-CD1 4.06Å; L389-L521 HydrophobicContact CD1-CD2 4.3Å; L389-W524 HydrophobicContact CB-CH2 4.16Å; L389-W524 HydrophobicContact CD2-CH2 4.35Å; L389-W524 HydrophobicContact CD2-CZ3 4.02Å; L389-W524 WeakPolarHBondContact O-CH2 3.41Å; L389-R530 PolarHBondContact O-NH1 3.43Å; L389-R530 VanDerWaalsContact O-NH1 3.15Å; L389-M533 HydrophobicContact CD2-CE 4.17Å; L389-M533 HydrophobicContact CD2-SD 4.1Å; L389-M537 HydrophobicContact CD2-CE 3.78Å
390	M	88.3	Confident	87.1	Confident	12 Å²	12	25.9 Å²	25.9	6%	0.059	13%	0.133	C	C	.	.	H	α-helix	trans	-57.6	-43.9	177.1	-73.5	-170.7	-68.9	0	0	112.1	M386 Q387 D392 L419 T422 K424 R530	M386-M390 HydrophobicContact CE-CG 4.23Å; M386-M390 HydrophobicContact CE-SD 4.28Å; M386-M390 HydrophobicContact CG-CE 4.09Å; M386-M390 WeakPolarHBondContact O-CB 3.17Å; M386-M390 VanDerWaalsContact O-CG 3.3Å; M386-M390 WeakPolarHBondContact O-CG 3.41Å; M386-M390 PolarHBondContact O-N 3.24Å; Q387-M390 HydrophobicContact CB-CE 4.42Å; Q387-M390 HydrophobicContact CG-CE 3.92Å; Q387-M390 PolarHBondContact O-N 3.17Å; M390-D392 VanDerWaalsContact C-N 3.34Å; M390-D392 PolarHBondContact O-N 3.4Å; M390-L419 HydrophobicContact CG-CD2 4.01Å; M390-T422 HydrophobicContact CB-CG2 4.15Å; M390-T422 HydrophobicContact CG-CG2 3.93Å; M390-T422 HydrophobicContact SD-CG2 4.1Å; M390-K424 CarbonylContact O-C 3.55Å; M390-K424 HydrophobicContact SD-CD 4.44Å; M390-R530 PolarHBondContact O-NH1 2.97Å
391	H	83.6	Confident	87.7	Confident	77 Å²	77	26.3 Å²	26.3	36%	0.356	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	7.1	-177.3	-70.9	-64	0	0	0	115.3	Q387 A388 L389 R393	Q387-H391 WeakPolarHBondContact O-CB 2.76Å; Q387-H391 PolarHBondContact O-CD2 3.47Å; Q387-H391 VanDerWaalsContact O-CD2 3.24Å; Q387-H391 PolarHBondContact O-N 3.01Å; A388-H391 PolarHBondContact O-N 3.37Å; L389-H391 VanDerWaalsContact C-N 3.33Å; L389-H391 PolarHBondContact O-N 3.49Å; H391-R393 VanDerWaalsContact C-N 3.3Å; H391-R393 HydrophobicContact CB-CG 3.9Å; H391-R393 PolarHBondContact O-N 2.87Å
392	D	88.2	Confident	87.8	Confident	41 Å²	41	29.8 Å²	29.8	22%	0.219	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	36.8	-178.7	-155.6	31.1	0	0	0	113.8	A388 L389 M390 I394	A388-D392 PolarHBondContact O-N 2.7Å; L389-D392 PolarHBondContact O-N 2.91Å; M390-D392 VanDerWaalsContact C-N 3.34Å; M390-D392 PolarHBondContact O-N 3.4Å; D392-I394 PolarHBondContact O-N 2.91Å
393	R	88.4	Confident	87.6	Confident	67 Å²	67	32.2 Å²	32.2	25%	0.253	18%	0.175	S	C	.	.			trans	-93.1	84.8	-178.4	-59.2	-56.7	-169.7	175.4	1.6	110.8	N361 A388 H391 F396 V397	N361-R393 VanDerWaalsContact CG-CZ 3.44Å; N361-R393 PolarHBondContact ND2-NH1 3.38Å; N361-R393 VanDerWaalsContact ND2-NH1 3.19Å; N361-R393 WeakPolarHBondContact OD1-CD 3.45Å; N361-R393 PolarHBondContact OD1-NH1 2.76Å; A388-R393 PolarHBondContact O-N 2.94Å; H391-R393 VanDerWaalsContact C-N 3.3Å; H391-R393 HydrophobicContact CB-CG 3.9Å; H391-R393 PolarHBondContact O-N 2.87Å; R393-F396 HydrophobicContact CB-CB 4.21Å; R393-F396 HydrophobicContact CB-CD2 3.79Å; R393-F396 HydrophobicContact CB-CG 4.28Å; R393-V397 WeakPolarHBondContact O-CG2 3.43Å; R393-V397 PolarHBondContact O-N 3.06Å
394	I	90.5	Very high	87.2	Confident	21 Å²	21	32.8 Å²	32.8	11%	0.108	19%	0.19	C	C	.	.	H	α-helix	trans	-69.7	-39.4	-168.7	-63	143.1	0	0	0	112.8	D392 F396 V397 Q398 N532 M533 C536	D392-I394 PolarHBondContact O-N 2.91Å; I394-F396 VanDerWaalsContact C-N 3.28Å; I394-F396 PolarHBondContact O-N 3.33Å; I394-V397 PolarHBondContact O-N 2.97Å; I394-V397 VanDerWaalsContact O-N 3.09Å; I394-Q398 HydrophobicContact CG2-CG 4.42Å; I394-Q398 PolarHBondContact O-N 2.87Å; I394-N532 HydrophobicContact CD1-CB 3.18Å; I394-N532 HydrophobicContact CG1-CB 4.45Å; I394-M533 HydrophobicContact CB-CE 4.45Å; I394-M533 HydrophobicContact CG1-CB 4.18Å; I394-M533 HydrophobicContact CG1-CE 3.6Å; I394-M533 HydrophobicContact CG1-SD 4.08Å; I394-C536 HydrophobicContact CG2-CB 3.86Å
395	D	88.9	Confident	87.1	Confident	79 Å²	79	33.3 Å²	33.3	42%	0.422	19%	0.193	S	C	.	.	H	α-helix	trans	-65.1	-39.6	-176.8	-46.6	-51.2	0	0	0	110.2	E363 V397 Q398 L399	E363-D395 HydrophobicContact CG-CB 3.9Å; E363-D395 VanDerWaalsContact OE2-CB 3.29Å; E363-D395 WeakPolarHBondContact OE2-CB 3.44Å; D395-V397 PolarHBondContact O-N 3.41Å; D395-Q398 PolarHBondContact O-N 3.48Å; D395-L399 WeakPolarHBondContact O-CB 3.49Å; D395-L399 PolarHBondContact O-N 2.98Å
396	F	89.2	Confident	86.7	Confident	4 Å²	4	35.9 Å²	35.9	2%	0.018	21%	0.214	C	C	.	.	H	α-helix	trans	-60.8	-43.9	170.4	-70.3	-100.2	0	0	0	112.5	L358 E363 V366 A388 R393 I394 L399 L400	L358-F396 HydrophobicContact CB-CD1 4.37Å; L358-F396 HydrophobicContact CB-CE1 4.18Å; L358-F396 HydrophobicContact CG-CD1 4.44Å; E363-F396 HydrophobicContact CB-CE2 4.08Å; E363-F396 HydrophobicContact CB-CZ 4.29Å; V366-F396 HydrophobicContact CB-CE1 4.23Å; V366-F396 HydrophobicContact CG1-CD1 4.41Å; V366-F396 HydrophobicContact CG2-CD1 4.16Å; V366-F396 HydrophobicContact CG2-CE1 3.61Å; A388-F396 HydrophobicContact CB-CB 4.2Å; R393-F396 HydrophobicContact CB-CB 4.21Å; R393-F396 HydrophobicContact CB-CD2 3.79Å; R393-F396 HydrophobicContact CB-CG 4.28Å; I394-F396 VanDerWaalsContact C-N 3.28Å; I394-F396 PolarHBondContact O-N 3.33Å; F396-L399 PolarHBondContact O-N 3.46Å; F396-L400 WeakPolarHBondContact O-CB 3.37Å; F396-L400 WeakPolarHBondContact O-CG 3.2Å; F396-L400 PolarHBondContact O-N 3.2Å
397	V	90.3	Very high	86.6	Confident	1 Å²	1	36 Å²	36	1%	0.006	22%	0.215	C	C	.	.	H	α-helix	trans	-62.7	-43.8	178.2	172.6	0	0	0	0	111.1	M385 A388 L389 R393 I394 D395 L399 L400 L401 M533 M537	M385-V397 HydrophobicContact SD-CB 4.47Å; M385-V397 HydrophobicContact SD-CG1 4.11Å; M385-V397 HydrophobicContact SD-CG2 4.19Å; A388-V397 HydrophobicContact CB-CG2 3.7Å; L389-V397 HydrophobicContact CD2-CG1 4.32Å; L389-V397 HydrophobicContact CD2-CG2 3.91Å; L389-V397 HydrophobicContact CG-CG2 4.22Å; R393-V397 WeakPolarHBondContact O-CG2 3.43Å; R393-V397 PolarHBondContact O-N 3.06Å; I394-V397 PolarHBondContact O-N 2.97Å; I394-V397 VanDerWaalsContact O-N 3.09Å; D395-V397 PolarHBondContact O-N 3.41Å; V397-L399 VanDerWaalsContact C-N 3.29Å; V397-L399 PolarHBondContact O-N 3.34Å; V397-L400 PolarHBondContact O-N 3.45Å; V397-L401 HydrophobicContact CG1-CD1 3.82Å; V397-L401 HydrophobicContact CG1-CG 4.4Å; V397-L401 WeakPolarHBondContact O-CB 3.48Å; V397-L401 WeakPolarHBondContact O-CG 3.41Å; V397-L401 PolarHBondContact O-N 3.22Å; V397-M533 HydrophobicContact CG2-CE 3.97Å; V397-M533 HydrophobicContact CG2-SD 4.5Å; V397-M537 HydrophobicContact CG1-CE 3.73Å
398	Q	90.3	Very high	86.5	Confident	77 Å²	77	38.7 Å²	38.7	36%	0.36	23%	0.227	S	C	.	.	H	α-helix	trans	-61.2	-42.4	176.6	-72.4	179.4	16.9	0	0	111.6	I394 D395 L401 A402 C536	I394-Q398 HydrophobicContact CG2-CG 4.42Å; I394-Q398 PolarHBondContact O-N 2.87Å; D395-Q398 PolarHBondContact O-N 3.48Å; Q398-L401 PolarHBondContact O-N 2.72Å; Q398-A402 WeakPolarHBondContact O-CB 3.46Å; Q398-A402 PolarHBondContact O-N 3.16Å; Q398-C536 WeakPolarHBondContact CG-SG 3.43Å; Q398-C536 PolarHBondContact NE2-SG 3.29Å; Q398-C536 VanDerWaalsContact NE2-SG 3.43Å
399	L	87.4	Confident	86.1	Confident	13 Å²	13	41 Å²	41	7%	0.068	25%	0.246	C	C	.	.	H	α-helix	trans	-70.5	-40.6	-177.9	-162.8	160.9	0	0	0	111.6	E363 V366 R367 L370 D395 F396 V397 A402 N403	E363-L399 HydrophobicContact CG-CD1 3.97Å; V366-L399 HydrophobicContact CG1-CD2 3.87Å; R367-L399 HydrophobicContact CB-CD1 3.68Å; R367-L399 HydrophobicContact CG-CD1 3.98Å; L370-L399 HydrophobicContact CB-CD2 4.25Å; L370-L399 HydrophobicContact CD1-CD2 3.06Å; L370-L399 HydrophobicContact CG-CD2 4.2Å; D395-L399 WeakPolarHBondContact O-CB 3.49Å; D395-L399 PolarHBondContact O-N 2.98Å; F396-L399 PolarHBondContact O-N 3.46Å; V397-L399 VanDerWaalsContact C-N 3.29Å; V397-L399 PolarHBondContact O-N 3.34Å; L399-A402 PolarHBondContact O-N 3.44Å; L399-N403 WeakPolarHBondContact CD2-ND2 3.45Å; L399-N403 PolarHBondContact O-N 3.09Å; L399-N403 VanDerWaalsContact O-N 3.17Å; L399-N403 PolarHBondContact O-ND2 2.89Å
400	L	88.1	Confident	85.9	Confident	2 Å²	2	40.9 Å²	40.9	1%	0.01	25%	0.246	C	C	.	.	H	α-helix	trans	-65.4	-39.6	173.4	-71.5	170.1	0	0	0	111.9	L370 L381 V384 M385 A388 F396 V397 A402 N403 V405	L370-L400 HydrophobicContact CD1-CD2 4.37Å; L381-L400 HydrophobicContact CD2-CD2 4.14Å; V384-L400 HydrophobicContact CG1-CD1 4.17Å; M385-L400 HydrophobicContact CB-CD1 4.28Å; M385-L400 HydrophobicContact CE-CB 3.59Å; M385-L400 HydrophobicContact CE-CD1 4.35Å; M385-L400 HydrophobicContact SD-CB 4.43Å; M385-L400 HydrophobicContact SD-CD1 4.21Å; A388-L400 HydrophobicContact CB-CD1 4.36Å; F396-L400 WeakPolarHBondContact O-CB 3.37Å; F396-L400 WeakPolarHBondContact O-CG 3.2Å; F396-L400 PolarHBondContact O-N 3.2Å; V397-L400 PolarHBondContact O-N 3.45Å; L400-A402 VanDerWaalsContact C-N 3.34Å; L400-N403 PolarHBondContact O-N 3.21Å; L400-V405 HydrophobicContact CB-CG2 4.16Å; L400-V405 WeakPolarHBondContact O-CG2 3.49Å; L400-V405 PolarHBondContact O-N 3.46Å
401	L	87.5	Confident	85.9	Confident	30 Å²	30	40.5 Å²	40.5	16%	0.157	24%	0.244	C	C	.	.	H	α-helix	trans	-67.7	-33.8	175.2	-72.2	171.2	0	0	0	112.5	M385 V397 Q398 N403 I407 F518 Q540	M385-L401 HydrophobicContact CE-CD2 3.83Å; M385-L401 HydrophobicContact CE-CG 3.8Å; V397-L401 HydrophobicContact CG1-CD1 3.82Å; V397-L401 HydrophobicContact CG1-CG 4.4Å; V397-L401 WeakPolarHBondContact O-CB 3.48Å; V397-L401 WeakPolarHBondContact O-CG 3.41Å; V397-L401 PolarHBondContact O-N 3.22Å; Q398-L401 PolarHBondContact O-N 2.72Å; L401-N403 VanDerWaalsContact C-N 3.3Å; L401-I407 HydrophobicContact CD2-CB 4.27Å; L401-I407 HydrophobicContact CD2-CD1 4.25Å; L401-F518 HydrophobicContact CD1-CE1 4.12Å; L401-F518 HydrophobicContact CD2-CE1 4.39Å; L401-F518 HydrophobicContact CD2-CZ 4.38Å; L401-Q540 VanDerWaalsContact CD1-NE2 3.27Å
402	A	85.4	Confident	85.9	Confident	81 Å²	81	38.3 Å²	38.3	67%	0.669	24%	0.236	S	C	*	.	H	α-helix	trans	-68.2	-29.5	175.2	0	0	0	0	0	112.7	Q398 L399 L400	Q398-A402 WeakPolarHBondContact O-CB 3.46Å; Q398-A402 PolarHBondContact O-N 3.16Å; L399-A402 PolarHBondContact O-N 3.44Å; L400-A402 VanDerWaalsContact C-N 3.34Å
403	N	81	Confident	85.7	Confident	64 Å²	64	36.8 Å²	36.8	34%	0.342	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	23.5	-177.4	-68.1	-54	0	0	0	114.1	L370 L399 L400 L401	L370-N403 HydrophobicContact CB-CB 4.49Å; L370-N403 WeakPolarHBondContact CB-ND2 3.29Å; L370-N403 HydrophobicContact CD2-CB 4.13Å; L399-N403 WeakPolarHBondContact CD2-ND2 3.45Å; L399-N403 PolarHBondContact O-N 3.09Å; L399-N403 VanDerWaalsContact O-N 3.17Å; L399-N403 PolarHBondContact O-ND2 2.89Å; L400-N403 PolarHBondContact O-N 3.21Å; L401-N403 VanDerWaalsContact C-N 3.3Å
404	G	74.7	Confident	85.4	Confident	65 Å²	65	38.8 Å²	38.8	67%	0.67	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	98.3	13.1	162.4	0	0	0	0	0	117.2	A406	G404-A406 PolarHBondContact O-N 2.86Å
405	V	81.3	Confident	85.3	Confident	13 Å²	13	40.1 Å²	40.1	8%	0.079	24%	0.244	C	C	.	.			trans	-64.8	108.8	171.7	177.5	0	0	0	0	110	L381 M385 L400 I407 F410	L381-V405 HydrophobicContact CB-CG2 3.76Å; L381-V405 HydrophobicContact CD1-CG2 3.78Å; L381-V405 HydrophobicContact CG-CG2 4.43Å; M385-V405 HydrophobicContact CE-CB 3.89Å; M385-V405 HydrophobicContact CE-CG1 3.73Å; M385-V405 HydrophobicContact CE-CG2 4.15Å; M385-V405 HydrophobicContact CG-CG1 4.48Å; L400-V405 HydrophobicContact CB-CG2 4.16Å; L400-V405 WeakPolarHBondContact O-CG2 3.49Å; L400-V405 PolarHBondContact O-N 3.46Å; V405-I407 PolarHBondContact O-N 3.33Å; V405-F410 HydrophobicContact CG1-CB 4.41Å
406	A	82.1	Confident	85.3	Confident	55 Å²	55	36.4 Å²	36.4	46%	0.455	22%	0.224	S	C	.	.			trans	-69.4	93.3	176.3	0	0	0	0	0	110.2	G404 E408 A409 F410	G404-A406 PolarHBondContact O-N 2.86Å; A406-E408 PolarHBondContact O-N 3.4Å; A406-E408 VanDerWaalsContact O-N 3.09Å; A406-A409 HydrophobicContact CB-CB 4.16Å; A406-A409 WeakPolarHBondContact O-CB 3.21Å; A406-A409 PolarHBondContact O-N 3.45Å; A406-F410 PolarHBondContact O-N 3.39Å
407	I	86.9	Confident	85.2	Confident	14 Å²	14	38 Å²	38	7%	0.072	23%	0.232	C	C	.	.	H	α-helix	trans	-59.1	-27.8	-174.9	-164.2	69	0	0	0	113.3	L401 V405 F410 L411 P517 F518 L521	L401-I407 HydrophobicContact CD2-CB 4.27Å; L401-I407 HydrophobicContact CD2-CD1 4.25Å; V405-I407 PolarHBondContact O-N 3.33Å; I407-F410 HydrophobicContact CD1-CD1 3.63Å; I407-F410 HydrophobicContact CD1-CE1 4.33Å; I407-F410 HydrophobicContact CD1-CG 4.4Å; I407-F410 PolarHBondContact O-N 3.14Å; I407-L411 WeakPolarHBondContact O-CB 3.44Å; I407-L411 PolarHBondContact O-N 3.42Å; I407-P517 HydrophobicContact CB-CG 4.49Å; I407-P517 HydrophobicContact CG1-CB 4.2Å; I407-P517 HydrophobicContact CG1-CG 4.36Å; I407-P517 HydrophobicContact CG2-CB 4.39Å; I407-P517 HydrophobicContact CG2-CG 3.65Å; I407-F518 HydrophobicContact CB-CZ 4.2Å; I407-F518 HydrophobicContact CG1-CE1 4.31Å; I407-F518 HydrophobicContact CG1-CZ 4.45Å; I407-F518 HydrophobicContact CG2-CD2 4.16Å; I407-F518 HydrophobicContact CG2-CE1 4.22Å; I407-F518 HydrophobicContact CG2-CE2 3.52Å; I407-F518 HydrophobicContact CG2-CZ 3.56Å; I407-L521 HydrophobicContact CD1-CD1 3.7Å; I407-L521 HydrophobicContact CG1-CD1 3.89Å
408	E	83.7	Confident	85	Confident	95 Å²	95	42.6 Å²	42.6	44%	0.444	25%	0.253	S	S	.	.	H	α-helix	trans	-66.3	-37.2	176.7	-64.1	178.4	-177.2	0	0	112	A406 Y512 P517	A406-E408 PolarHBondContact O-N 3.4Å; A406-E408 VanDerWaalsContact O-N 3.09Å; E408-Y512 HydrophobicContact CB-CD1 3.8Å; E408-Y512 HydrophobicContact CB-CD2 3.94Å; E408-Y512 HydrophobicContact CB-CE1 4.05Å; E408-Y512 HydrophobicContact CB-CE2 4.17Å; E408-Y512 HydrophobicContact CB-CG 3.74Å; E408-Y512 WeakPolarHBondContact O-CD1 3.37Å; E408-Y512 WeakPolarHBondContact OE2-CD2 3.33Å; E408-Y512 WeakPolarHBondContact OE2-CE2 3.44Å; E408-P517 HydrophobicContact CG-CG 3.83Å
409	A	81.2	Confident	85	Confident	48 Å²	48	39 Å²	39	40%	0.397	24%	0.237	S	C	.	.	H	α-helix	trans	-77.9	-39.5	173.8	0	0	0	0	0	111.5	A406 Y512	A406-A409 HydrophobicContact CB-CB 4.16Å; A406-A409 WeakPolarHBondContact O-CB 3.21Å; A406-A409 PolarHBondContact O-N 3.45Å; A409-Y512 HydrophobicContact CB-CD1 4.49Å; A409-Y512 HydrophobicContact CB-CE1 3.84Å
410	F	86.9	Confident	85	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-64.3	-42.6	-177.5	167.2	-98.2	0	0	0	113	D382 M385 M386 L389 V405 A406 I407 T412 R415	D382-F410 HydrophobicContact CB-CD2 3.93Å; D382-F410 HydrophobicContact CB-CE2 4.31Å; D382-F410 WeakPolarHBondContact O-CE2 3.2Å; D382-F410 WeakPolarHBondContact OD1-CD2 3.44Å; M385-F410 HydrophobicContact CB-CD2 4.22Å; M385-F410 HydrophobicContact CB-CE2 3.85Å; M385-F410 HydrophobicContact CB-CZ 4.18Å; M385-F410 HydrophobicContact CG-CD1 4.25Å; M385-F410 HydrophobicContact CG-CD2 4.09Å; M385-F410 HydrophobicContact CG-CE1 3.91Å; M385-F410 HydrophobicContact CG-CE2 3.77Å; M385-F410 HydrophobicContact CG-CG 4.33Å; M385-F410 HydrophobicContact CG-CZ 3.66Å; M386-F410 HydrophobicContact CB-CE2 4.19Å; M386-F410 HydrophobicContact CB-CZ 4.2Å; M386-F410 HydrophobicContact SD-CZ 4.31Å; L389-F410 HydrophobicContact CD1-CE1 3.64Å; L389-F410 HydrophobicContact CD1-CZ 3.86Å; V405-F410 HydrophobicContact CG1-CB 4.41Å; A406-F410 PolarHBondContact O-N 3.39Å; I407-F410 HydrophobicContact CD1-CD1 3.63Å; I407-F410 HydrophobicContact CD1-CE1 4.33Å; I407-F410 HydrophobicContact CD1-CG 4.4Å; I407-F410 PolarHBondContact O-N 3.14Å; F410-T412 PolarHBondContact O-N 3.32Å; F410-T412 VanDerWaalsContact O-N 3.07Å; F410-R415 VanDerWaalsContact O-CD 3.22Å; F410-R415 WeakPolarHBondContact O-CD 3.26Å; F410-R415 PolarHBondContact O-NH1 2.99Å
411	L	87.4	Confident	84.8	Confident	3 Å²	3	40.9 Å²	40.9	2%	0.016	25%	0.247	C	C	.	.			trans	-81.9	94	-169.7	-167.1	68.9	0	0	0	111.6	I407 L416 F514 P517 D520 L521	I407-L411 WeakPolarHBondContact O-CB 3.44Å; I407-L411 PolarHBondContact O-N 3.42Å; L411-L416 HydrophobicContact CD1-CB 4.21Å; L411-L416 HydrophobicContact CD1-CD1 4.31Å; L411-F514 HydrophobicContact CB-CD2 4.28Å; L411-F514 HydrophobicContact CD2-CD2 3.78Å; L411-F514 HydrophobicContact CD2-CE2 4.12Å; L411-F514 HydrophobicContact CD2-CG 4.19Å; L411-F514 HydrophobicContact CG-CD2 3.82Å; L411-F514 HydrophobicContact CG-CE2 3.89Å; L411-F514 WeakPolarHBondContact O-CD2 3.45Å; L411-F514 WeakPolarHBondContact O-CE2 3.38Å; L411-P517 HydrophobicContact CB-CB 4.05Å; L411-P517 HydrophobicContact CD2-CB 3.52Å; L411-P517 HydrophobicContact CG-CB 4.43Å; L411-D520 HydrophobicContact CD2-CB 4.13Å; L411-L521 HydrophobicContact CD1-CD1 4.42Å; L411-L521 HydrophobicContact CD1-CD2 3.92Å; L411-L521 HydrophobicContact CD1-CG 4.12Å; L411-L521 HydrophobicContact CD2-CD1 4.49Å; L411-L521 HydrophobicContact CD2-CG 4.19Å
412	T	84.5	Confident	84.5	Confident	32 Å²	32	40.1 Å²	40.1	20%	0.196	24%	0.244	C	C	.	.			trans	-93.9	156.4	170.7	65.9	0	0	0	0	111.2	F410 E414 R415 L416	F410-T412 PolarHBondContact O-N 3.32Å; F410-T412 VanDerWaalsContact O-N 3.07Å; T412-E414 PolarHBondContact O-N 3.48Å; T412-R415 PolarHBondContact O-N 3.01Å; T412-R415 WeakPolarHBondContact OG1-CG 3.31Å; T412-R415 PolarHBondContact OG1-N 2.94Å; T412-L416 PolarHBondContact O-N 3.4Å
413	P	84	Confident	83.9	Confident	9 Å²	9	42 Å²	42	6%	0.058	24%	0.242	C	C	.	.	H	α-helix	trans	-58.7	-35	177	21.6	-32.9	0	0	0	112.8	L416 E417 L440 Y468 F513 F514	P413-L416 PolarHBondContact O-N 3.04Å; P413-E417 WeakPolarHBondContact O-CG 3.34Å; P413-E417 PolarHBondContact O-N 3.19Å; P413-L440 HydrophobicContact CB-CD1 3.82Å; P413-Y468 HydrophobicContact CB-CD2 4.19Å; P413-Y468 HydrophobicContact CB-CE2 4.35Å; P413-F513 HydrophobicContact CB-CE1 4.16Å; P413-F513 HydrophobicContact CB-CZ 4.45Å; P413-F513 HydrophobicContact CG-CD1 4.42Å; P413-F513 HydrophobicContact CG-CE1 4.31Å; P413-F513 HydrophobicContact CG-CZ 4.39Å; P413-F514 HydrophobicContact CB-CZ 4.5Å
414	E	82.2	Confident	83.3	Confident	109 Å²	109	43.8 Å²	43.8	51%	0.509	25%	0.247	S	C	.	.	H	α-helix	trans	-66.1	-47.5	177.5	-60.5	-170.8	139.4	0	0	112.4	T412 L416 E417 E418 N475	T412-E414 PolarHBondContact O-N 3.48Å; E414-L416 VanDerWaalsContact C-N 3.28Å; E414-L416 PolarHBondContact O-N 3.25Å; E414-E417 PolarHBondContact O-N 3.08Å; E414-E418 PolarHBondContact O-N 3.25Å; E414-N475 VanDerWaalsContact CD-ND2 3.28Å; E414-N475 PolarHBondContact OE1-ND2 2.96Å
415	R	88.4	Confident	83	Confident	49 Å²	49	42.8 Å²	42.8	19%	0.185	24%	0.237	C	C	.	.	H	α-helix	trans	-61.4	-39.9	177	-74.4	173.9	178.3	174.4	-0.5	110.9	D382 M386 F410 T412 E418 L419	D382-R415 VanDerWaalsContact CG-NH1 3.28Å; D382-R415 IonicContact OD1-NH1 2.72Å; D382-R415 IonicContact OD2-CZ 3.5Å; D382-R415 VanDerWaalsContact OD2-CZ 3.31Å; D382-R415 IonicContact OD2-NH1 3.52Å; D382-R415 PolarHBondContact OD2-NH1 2.99Å; D382-R415 IonicContact OD2-NH2 2.66Å; D382-R415 PolarHBondContact OD2-NH2 2.84Å; M386-R415 HydrophobicContact SD-CB 4.37Å; F410-R415 VanDerWaalsContact O-CD 3.22Å; F410-R415 WeakPolarHBondContact O-CD 3.26Å; F410-R415 PolarHBondContact O-NH1 2.99Å; T412-R415 PolarHBondContact O-N 3.01Å; T412-R415 WeakPolarHBondContact OG1-CG 3.31Å; T412-R415 PolarHBondContact OG1-N 2.94Å; R415-E418 PolarHBondContact O-N 3.34Å; R415-L419 VanDerWaalsContact O-CG 3.31Å; R415-L419 WeakPolarHBondContact O-CG 3.49Å; R415-L419 PolarHBondContact O-N 3.3Å
416	L	89.4	Confident	82.4	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-65.9	-40.8	177.2	-174.5	60.5	0	0	0	111.8	L411 T412 P413 E414 L419 Y420 L440 F514 D520 W524	L411-L416 HydrophobicContact CD1-CB 4.21Å; L411-L416 HydrophobicContact CD1-CD1 4.31Å; T412-L416 PolarHBondContact O-N 3.4Å; P413-L416 PolarHBondContact O-N 3.04Å; E414-L416 VanDerWaalsContact C-N 3.28Å; E414-L416 PolarHBondContact O-N 3.25Å; L416-L419 WeakPolarHBondContact O-CB 3.48Å; L416-L419 PolarHBondContact O-N 3.44Å; L416-Y420 HydrophobicContact CD1-CD2 4.1Å; L416-Y420 HydrophobicContact CD1-CE2 3.7Å; L416-Y420 HydrophobicContact CD2-CE2 4.28Å; L416-Y420 HydrophobicContact CG-CD2 4.01Å; L416-Y420 HydrophobicContact CG-CE2 3.77Å; L416-Y420 WeakPolarHBondContact O-CD2 3.46Å; L416-Y420 PolarHBondContact O-N 3.05Å; L416-L440 HydrophobicContact CD2-CD2 3.63Å; L416-L440 HydrophobicContact CG-CD2 3.89Å; L416-F514 HydrophobicContact CD2-CE1 4Å; L416-F514 HydrophobicContact CD2-CE2 4.36Å; L416-F514 HydrophobicContact CD2-CZ 3.63Å; L416-D520 HydrophobicContact CD2-CB 4.18Å; L416-W524 HydrophobicContact CD1-CB 4.26Å
417	E	86.5	Confident	81.6	Confident	37 Å²	37	44.1 Å²	44.1	17%	0.173	24%	0.241	C	C	.	.	H	α-helix	trans	-64.2	-41.2	173.4	-74.5	-176.5	167.8	0	0	112.2	P413 E414 L419 Y420 N421 L440 Y468	P413-E417 WeakPolarHBondContact O-CG 3.34Å; P413-E417 PolarHBondContact O-N 3.19Å; E414-E417 PolarHBondContact O-N 3.08Å; E417-L419 VanDerWaalsContact C-N 3.31Å; E417-L419 PolarHBondContact O-N 2.96Å; E417-Y420 PolarHBondContact O-N 3.46Å; E417-N421 WeakPolarHBondContact O-CB 3.39Å; E417-N421 PolarHBondContact O-N 2.95Å; E417-N421 PolarHBondContact O-ND2 3.31Å; E417-L440 HydrophobicContact CG-CD1 4.12Å; E417-L440 HydrophobicContact CG-CD2 4.21Å; E417-L440 HydrophobicContact CG-CG 3.64Å; E417-L440 WeakPolarHBondContact OE1-CG 3.37Å; E417-L440 PolarHBondContact OE1-N 2.96Å; E417-Y468 VanDerWaalsContact OE1-CE2 3.24Å; E417-Y468 WeakPolarHBondContact OE1-CE2 3.25Å; E417-Y468 PolarHBondContact OE1-OH 3.38Å; E417-Y468 PolarHBondContact OE2-OH 3.38Å
418	E	87	Confident	80.7	Confident	99 Å²	99	44.3 Å²	44.3	46%	0.463	24%	0.242	S	C	.	.	H	α-helix	trans	-59.1	-43.9	173.3	-173.7	179.5	178.5	0	0	110.7	M386 E414 R415 Y420 N421 T422	M386-E418 HydrophobicContact CE-CB 3.69Å; M386-E418 VanDerWaalsContact CE-CD 3.42Å; M386-E418 HydrophobicContact CE-CG 3.57Å; M386-E418 WeakPolarHBondContact CE-OE2 3.41Å; E414-E418 PolarHBondContact O-N 3.25Å; R415-E418 PolarHBondContact O-N 3.34Å; E418-Y420 PolarHBondContact O-N 3.26Å; E418-N421 CarbonylContact O-C 3.5Å; E418-N421 PolarHBondContact O-N 3.19Å; E418-T422 WeakPolarHBondContact O-CB 3.4Å; E418-T422 PolarHBondContact O-N 3.47Å; E418-T422 PolarHBondContact O-OG1 2.87Å
419	L	89.2	Confident	79.9	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-61.1	-39	176.1	-74.3	178.6	0	0	0	113.1	M386 L389 M390 R415 L416 E417 L521 W524	M386-L419 HydrophobicContact CE-CD2 3.74Å; M386-L419 HydrophobicContact CE-CG 3.79Å; M386-L419 HydrophobicContact SD-CD1 4.42Å; M386-L419 HydrophobicContact SD-CD2 3.66Å; M386-L419 HydrophobicContact SD-CG 3.85Å; L389-L419 HydrophobicContact CB-CD1 4.49Å; L389-L419 HydrophobicContact CB-CD2 3.76Å; L389-L419 HydrophobicContact CD1-CD1 4.06Å; M390-L419 HydrophobicContact CG-CD2 4.01Å; R415-L419 VanDerWaalsContact O-CG 3.31Å; R415-L419 WeakPolarHBondContact O-CG 3.49Å; R415-L419 PolarHBondContact O-N 3.3Å; L416-L419 WeakPolarHBondContact O-CB 3.48Å; L416-L419 PolarHBondContact O-N 3.44Å; E417-L419 VanDerWaalsContact C-N 3.31Å; E417-L419 PolarHBondContact O-N 2.96Å; L419-L521 HydrophobicContact CD1-CD2 3.89Å; L419-W524 VanDerWaalsContact C-NE1 3.25Å; L419-W524 HydrophobicContact CB-CD2 4.44Å; L419-W524 HydrophobicContact CB-CG 4.48Å; L419-W524 HydrophobicContact CB-CZ2 4.3Å; L419-W524 HydrophobicContact CD2-CZ2 4.05Å; L419-W524 PolarHBondContact O-NE1 2.94Å
420	Y	87.4	Confident	79.4	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-70.3	-33.5	176.2	-83.4	-71.6	0	0	0	112.9	L416 E417 E418 L430 Y438 L440 I443 W524 L527	L416-Y420 HydrophobicContact CD1-CD2 4.1Å; L416-Y420 HydrophobicContact CD1-CE2 3.7Å; L416-Y420 HydrophobicContact CD2-CE2 4.28Å; L416-Y420 HydrophobicContact CG-CD2 4.01Å; L416-Y420 HydrophobicContact CG-CE2 3.77Å; L416-Y420 WeakPolarHBondContact O-CD2 3.46Å; L416-Y420 PolarHBondContact O-N 3.05Å; E417-Y420 PolarHBondContact O-N 3.46Å; E418-Y420 PolarHBondContact O-N 3.26Å; Y420-L430 HydrophobicContact CD1-CD1 3.67Å; Y420-L430 HydrophobicContact CE1-CD1 4.24Å; Y420-Y438 WeakPolarHBondContact O-CD2 3.42Å; Y420-L440 HydrophobicContact CD2-CD2 4.34Å; Y420-L440 HydrophobicContact CE2-CD2 4.22Å; Y420-I443 HydrophobicContact CD1-CD1 3.84Å; Y420-I443 HydrophobicContact CD2-CD1 3.43Å; Y420-I443 VanDerWaalsContact CD2-CD1 3.43Å; Y420-I443 HydrophobicContact CE1-CD1 4.17Å; Y420-I443 HydrophobicContact CE1-CG2 4.12Å; Y420-I443 HydrophobicContact CE2-CD1 3.81Å; Y420-I443 HydrophobicContact CE2-CG2 4.48Å; Y420-I443 HydrophobicContact CG-CD1 3.45Å; Y420-I443 VanDerWaalsContact CG-CD1 3.45Å; Y420-W524 AromaticContact CD1-CD1 3.77Å; Y420-W524 HydrophobicContact CE1-CB 4.02Å; Y420-W524 AromaticContact CE1-CD1 3.93Å; Y420-W524 HydrophobicContact CE1-CG 4.39Å; Y420-W524 HydrophobicContact CE2-CB 4.1Å; Y420-W524 AromaticContact CG-CD1 3.92Å; Y420-W524 WeakPolarHBondContact OH-CA 3.41Å; Y420-W524 PolarHBondContact OH-N 3.28Å; Y420-L527 HydrophobicContact CE1-CB 4.33Å; Y420-L527 HydrophobicContact CE1-CD1 3.97Å
421	N	84.2	Confident	78.4	Confident	54 Å²	54	41.4 Å²	41.4	29%	0.289	22%	0.224	S	C	.	.	H	α-helix	trans	-90.9	-5	-177.9	-70.4	-60.7	0	0	0	114	E417 E418 D423 Y438	E417-N421 WeakPolarHBondContact O-CB 3.39Å; E417-N421 PolarHBondContact O-N 2.95Å; E417-N421 PolarHBondContact O-ND2 3.31Å; E418-N421 CarbonylContact O-C 3.5Å; E418-N421 PolarHBondContact O-N 3.19Å; N421-D423 PolarHBondContact O-N 3.2Å; N421-Y438 PolarHBondContact ND2-O 3.46Å; N421-Y438 WeakPolarHBondContact OD1-CD2 3.36Å; N421-Y438 PolarHBondContact OD1-N 3.01Å
422	T	80.4	Confident	77.2	Confident	15 Å²	15	44.7 Å²	44.7	9%	0.092	24%	0.244	C	C	.	.			trans	-77.6	119	-175.3	-70.6	0	0	0	0	112.2	M390 E418 K424 N428	M390-T422 HydrophobicContact CB-CG2 4.15Å; M390-T422 HydrophobicContact CG-CG2 3.93Å; M390-T422 HydrophobicContact SD-CG2 4.1Å; E418-T422 WeakPolarHBondContact O-CB 3.4Å; E418-T422 PolarHBondContact O-N 3.47Å; E418-T422 PolarHBondContact O-OG1 2.87Å; T422-K424 VanDerWaalsContact C-N 3.26Å; T422-K424 HydrophobicContact CG2-CB 3.5Å; T422-K424 VanDerWaalsContact CG2-CB 3.5Å; T422-K424 HydrophobicContact CG2-CD 4.2Å; T422-K424 HydrophobicContact CG2-CG 3.84Å; T422-K424 VanDerWaalsContact CG2-N 3.3Å; T422-K424 PolarHBondContact O-N 2.99Å; T422-N428 PolarHBondContact O-ND2 3.31Å
423	D	73.3	Confident	76.1	Confident	119 Å²	119	45.5 Å²	45.5	64%	0.636	25%	0.246	S	C	*	.			trans	-78.4	-5.4	173.1	-67.7	-33.3	0	0	0	114.2	N421 N431	N421-D423 PolarHBondContact O-N 3.2Å; D423-N431 PolarHBondContact OD1-ND2 3.47Å; D423-N431 VanDerWaalsContact OD1-ND2 3.08Å
424	K	68.9	Low	75.1	Confident	102 Å²	102	47.2 Å²	47.2	44%	0.443	25%	0.254	S	S	.	.	S	Bend	trans	-72.6	129.3	176.6	-55.3	174	-178	171.9	0	109.1	M390 T422 R530	M390-K424 CarbonylContact O-C 3.55Å; M390-K424 HydrophobicContact SD-CD 4.44Å; T422-K424 VanDerWaalsContact C-N 3.26Å; T422-K424 HydrophobicContact CG2-CB 3.5Å; T422-K424 VanDerWaalsContact CG2-CB 3.5Å; T422-K424 HydrophobicContact CG2-CD 4.2Å; T422-K424 HydrophobicContact CG2-CG 3.84Å; T422-K424 VanDerWaalsContact CG2-N 3.3Å; T422-K424 PolarHBondContact O-N 2.99Å; K424-R530 PolarHBondContact O-NH2 3Å
425	G	68.5	Low	74.1	Confident	45 Å²	45	51.2 Å²	51.2	46%	0.464	27%	0.273	S	S	.	.	S	Bend	trans	114.3	-156.7	178.1	0	0	0	0	0	113.7
426	P	68.4	Low	72.8	Confident	36 Å²	36	55.1 Å²	55.1	23%	0.234	30%	0.297	C	S	.	.	S	Bend	trans	-62.9	153.7	175.7	26.5	-32.9	0	0	0	111.2	N428 R530	P426-N428 PolarHBondContact O-N 3.28Å; P426-N428 PolarHBondContact O-OD1 3.13Å; P426-R530 HydrophobicContact CG-CG 3.73Å
427	P	65.8	Low	71.7	Confident	60 Å²	60	61 Å²	61	39%	0.39	33%	0.334	S	S	.	.			trans	-61.7	112.2	-174.6	24.7	-33.9	0	0	0	111	T429 R577	P427-T429 PolarHBondContact O-N 3.49Å; P427-R577 HydrophobicContact CG-CG 4.26Å
428	N	67.1	Low	71.1	Confident	17 Å²	17	60 Å²	60	9%	0.091	33%	0.328	C	S	.	.			trans	-63.6	126.2	179.8	-69.6	-21.2	0	0	0	111	T422 P426 L430	T422-N428 PolarHBondContact O-ND2 3.31Å; P426-N428 PolarHBondContact O-N 3.28Å; P426-N428 PolarHBondContact O-OD1 3.13Å; N428-L430 VanDerWaalsContact C-N 3.31Å
429	T	67.5	Low	70.9	Confident	8 Å²	8	56.7 Å²	56.7	5%	0.049	32%	0.316	C	S	.	.	S	Bend	trans	-79	-15.5	176.5	43.7	0	0	0	0	113.5	P427 N431 T432 L527 N529 F578 F581	P427-T429 PolarHBondContact O-N 3.49Å; T429-N431 PolarHBondContact O-N 2.93Å; T429-T432 WeakPolarHBondContact O-CB 3.19Å; T429-T432 PolarHBondContact O-N 3.15Å; T429-L527 PolarHBondContact OG1-O 3.49Å; T429-L527 VanDerWaalsContact OG1-O 3.09Å; T429-N529 HydrophobicContact CG2-CB 4.17Å; T429-F578 HydrophobicContact CG2-CE1 4Å; T429-F578 HydrophobicContact CG2-CZ 4.44Å; T429-F581 HydrophobicContact CG2-CE2 3.93Å; T429-F581 HydrophobicContact CG2-CZ 3.7Å
430	L	70.5	Confident	70.7	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.005	32%	0.316	C	S	.	.	H	α-helix	trans	-62.6	-39.1	179.1	-76.1	169.7	0	0	0	112.6	Y420 N428 T432 L433 M434 Y438 L446 L527 T528	Y420-L430 HydrophobicContact CD1-CD1 3.67Å; Y420-L430 HydrophobicContact CE1-CD1 4.24Å; N428-L430 VanDerWaalsContact C-N 3.31Å; L430-T432 PolarHBondContact O-N 2.84Å; L430-L433 WeakPolarHBondContact O-CA 3.46Å; L430-L433 PolarHBondContact O-N 3Å; L430-M434 PolarHBondContact O-N 2.78Å; L430-Y438 VanDerWaalsContact C-OH 3.3Å; L430-Y438 HydrophobicContact CB-CE2 4.19Å; L430-Y438 PolarHBondContact O-OH 3.12Å; L430-L446 HydrophobicContact CD2-CD2 3.51Å; L430-L527 HydrophobicContact CD1-CB 4.18Å; L430-L527 HydrophobicContact CD2-CB 4.22Å; L430-L527 HydrophobicContact CG-CB 4.38Å; L430-T528 HydrophobicContact CD1-CG2 3.88Å
431	N	66.2	Low	70.7	Confident	74 Å²	74	58 Å²	58	40%	0.396	33%	0.325	S	S	.	.	H	α-helix	trans	-61.3	-18.7	177.3	-60.1	5.3	0	0	0	112.8	D423 T429 M434 Y438	D423-N431 PolarHBondContact OD1-ND2 3.47Å; D423-N431 VanDerWaalsContact OD1-ND2 3.08Å; T429-N431 PolarHBondContact O-N 2.93Å; N431-M434 CarbonylContact C-O 3.55Å; N431-Y438 WeakPolarHBondContact CA-OH 3.42Å; N431-Y438 PolarHBondContact N-OH 3.19Å; N431-Y438 VanDerWaalsContact N-OH 3.12Å; N431-Y438 PolarHBondContact OD1-OH 3.41Å
432	T	62.6	Low	70.8	Confident	71 Å²	71	59 Å²	59	44%	0.436	33%	0.33	S	S	.	.	H	α-helix	trans	-87.2	-23.6	174	-42.3	0	0	0	0	112.3	T429 L430 I565	T429-T432 WeakPolarHBondContact O-CB 3.19Å; T429-T432 PolarHBondContact O-N 3.15Å; L430-T432 PolarHBondContact O-N 2.84Å; T432-I565 HydrophobicContact CG2-CD1 4.4Å
433	L	61.1	Low	71.2	Confident	49 Å²	49	58.4 Å²	58.4	26%	0.257	33%	0.326	S	S	.	.	H	α-helix	trans	-95	-26.1	-177	-66.1	173	0	0	0	112.9	L430 E561 I565	L430-L433 WeakPolarHBondContact O-CA 3.46Å; L430-L433 PolarHBondContact O-N 3Å; L433-E561 HydrophobicContact CD2-CB 4.5Å; L433-E561 HydrophobicContact CD2-CG 3.67Å; L433-I565 HydrophobicContact CD2-CD1 4.22Å
434	M	63	Low	71.9	Confident	46 Å²	46	52.7 Å²	52.7	23%	0.227	30%	0.296	C	S	.	.			trans	-142.4	138.9	-178.7	-75.1	-177.6	159.1	0	0	109.3	L430 N431 Y438 L446	L430-M434 PolarHBondContact O-N 2.78Å; N431-M434 CarbonylContact C-O 3.55Å; M434-Y438 HydrophobicContact CB-CD1 4.1Å; M434-Y438 HydrophobicContact CB-CE1 3.5Å; M434-Y438 PolarHBondContact O-OH 3.39Å; M434-Y438 HydrophobicContact SD-CD1 4.34Å; M434-L446 HydrophobicContact CE-CB 3.73Å; M434-L446 HydrophobicContact CE-CD1 4.27Å; M434-L446 HydrophobicContact CE-CD2 4.48Å; M434-L446 HydrophobicContact CE-CG 4.37Å; M434-L446 HydrophobicContact SD-CB 4.4Å; M434-L446 HydrophobicContact SD-CD2 4.22Å
435	Q	60.9	Low	72.8	Confident	193 Å²	193	52 Å²	52	90%	0.902	30%	0.297	S	S	*	.			trans	-93.7	-19.4	-170.6	-70.2	178	-11.9	0	0	114.3
436	D	61.8	Low	73.7	Confident	130 Å²	130	50.3 Å²	50.3	70%	0.695	28%	0.277	S	S	*	.	S	Bend	trans	-111.4	170.4	-170.3	-63.4	-32.7	0	0	0	112.5	Y438	D436-Y438 VanDerWaalsContact O-CD1 3.23Å; D436-Y438 WeakPolarHBondContact O-CD1 3.36Å; D436-Y438 WeakPolarHBondContact O-CE1 3.43Å; D436-Y438 PolarHBondContact O-N 3.4Å
437	T	66.1	Low	74.8	Confident	124 Å²	124	48.7 Å²	48.7	76%	0.761	27%	0.266	S	S	*	.	P	Polyproline II helix	trans	-56.8	131.5	172.7	46.9	0	0	0	0	111.4
438	Y	73	Confident	75.9	Confident	16 Å²	16	47.4 Å²	47.4	6%	0.063	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-85.9	122.3	-170.2	-47.4	-55.9	0	0	0	111.7	Y420 N421 L430 N431 M434 D436	Y420-Y438 WeakPolarHBondContact O-CD2 3.42Å; N421-Y438 PolarHBondContact ND2-O 3.46Å; N421-Y438 WeakPolarHBondContact OD1-CD2 3.36Å; N421-Y438 PolarHBondContact OD1-N 3.01Å; L430-Y438 VanDerWaalsContact C-OH 3.3Å; L430-Y438 HydrophobicContact CB-CE2 4.19Å; L430-Y438 PolarHBondContact O-OH 3.12Å; N431-Y438 WeakPolarHBondContact CA-OH 3.42Å; N431-Y438 PolarHBondContact N-OH 3.19Å; N431-Y438 VanDerWaalsContact N-OH 3.12Å; N431-Y438 PolarHBondContact OD1-OH 3.41Å; M434-Y438 HydrophobicContact CB-CD1 4.1Å; M434-Y438 HydrophobicContact CB-CE1 3.5Å; M434-Y438 PolarHBondContact O-OH 3.39Å; M434-Y438 HydrophobicContact SD-CD1 4.34Å; D436-Y438 VanDerWaalsContact O-CD1 3.23Å; D436-Y438 WeakPolarHBondContact O-CD1 3.36Å; D436-Y438 WeakPolarHBondContact O-CE1 3.43Å; D436-Y438 PolarHBondContact O-N 3.4Å
439	S	83.4	Confident	76.9	Confident	30 Å²	30	53.1 Å²	53.1	21%	0.21	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-95.1	150	164.9	81.5	0	0	0	0	111.1	P441 D442 I443	S439-P441 VanDerWaalsContact C-N 3.34Å; S439-P441 WeakPolarHBondContact OG-CD 3.3Å; S439-D442 PolarHBondContact O-N 3.38Å; S439-D442 PolarHBondContact OG-N 2.89Å; S439-D442 PolarHBondContact OG-OD2 3.13Å; S439-I443 WeakPolarHBondContact O-CG1 3.41Å; S439-I443 PolarHBondContact O-N 3.37Å
440	L	85.7	Confident	77.8	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-54.6	-40.7	177.9	-68.5	170	0	0	0	113.9	P413 L416 E417 Y420 D442 I443 G444 Y459 F464 Y468 F514	P413-L440 HydrophobicContact CB-CD1 3.82Å; L416-L440 HydrophobicContact CD2-CD2 3.63Å; L416-L440 HydrophobicContact CG-CD2 3.89Å; E417-L440 HydrophobicContact CG-CD1 4.12Å; E417-L440 HydrophobicContact CG-CD2 4.21Å; E417-L440 HydrophobicContact CG-CG 3.64Å; E417-L440 WeakPolarHBondContact OE1-CG 3.37Å; E417-L440 PolarHBondContact OE1-N 2.96Å; Y420-L440 HydrophobicContact CD2-CD2 4.34Å; Y420-L440 HydrophobicContact CE2-CD2 4.22Å; L440-D442 VanDerWaalsContact C-N 3.32Å; L440-D442 PolarHBondContact O-N 2.9Å; L440-I443 HydrophobicContact CD2-CD1 4.32Å; L440-I443 PolarHBondContact O-N 3.3Å; L440-G444 PolarHBondContact O-N 2.89Å; L440-Y459 WeakPolarHBondContact O-CB 3.49Å; L440-F464 HydrophobicContact CB-CE1 4.37Å; L440-F464 HydrophobicContact CD1-CZ 4.17Å; L440-Y468 HydrophobicContact CB-CE2 4.31Å; L440-Y468 HydrophobicContact CD1-CD2 4.11Å; L440-Y468 HydrophobicContact CD1-CE2 3.88Å; L440-Y468 HydrophobicContact CG-CE2 4.39Å; L440-F514 HydrophobicContact CD1-CZ 4.41Å
441	P	86	Confident	78.7	Confident	28 Å²	28	53.3 Å²	53.3	18%	0.182	28%	0.279	C	S	.	.	H	α-helix	trans	-61.7	-34.9	174.5	-26	36.1	0	0	0	114.5	S439 G444 L445 Y468	S439-P441 VanDerWaalsContact C-N 3.34Å; S439-P441 WeakPolarHBondContact OG-CD 3.3Å; P441-G444 PolarHBondContact O-N 2.96Å; P441-L445 PolarHBondContact O-N 3.26Å; P441-L445 VanDerWaalsContact O-N 3.09Å; P441-Y468 HydrophobicContact CG-CD1 4.23Å; P441-Y468 HydrophobicContact CG-CE1 4.06Å
442	D	86.5	Confident	79.4	Confident	76 Å²	76	50.3 Å²	50.3	41%	0.406	27%	0.267	S	S	.	.	H	α-helix	trans	-72.8	-39.4	178.8	-61.1	-33.8	0	0	0	110.8	S439 L440 G444 L445 L446	S439-D442 PolarHBondContact O-N 3.38Å; S439-D442 PolarHBondContact OG-N 2.89Å; S439-D442 PolarHBondContact OG-OD2 3.13Å; L440-D442 VanDerWaalsContact C-N 3.32Å; L440-D442 PolarHBondContact O-N 2.9Å; D442-G444 VanDerWaalsContact C-N 3.25Å; D442-G444 PolarHBondContact O-N 2.91Å; D442-L445 WeakPolarHBondContact O-CB 3.25Å; D442-L445 PolarHBondContact O-N 3.4Å; D442-L446 PolarHBondContact O-N 2.9Å
443	I	88.1	Confident	79.6	Confident	1 Å²	1	47 Å²	47	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-59.5	-40.1	169.5	-64.3	160.4	0	0	0	110.3	Y420 S439 L440 L445 L446 I447 Y459 L527	Y420-I443 HydrophobicContact CD1-CD1 3.84Å; Y420-I443 HydrophobicContact CD2-CD1 3.43Å; Y420-I443 VanDerWaalsContact CD2-CD1 3.43Å; Y420-I443 HydrophobicContact CE1-CD1 4.17Å; Y420-I443 HydrophobicContact CE1-CG2 4.12Å; Y420-I443 HydrophobicContact CE2-CD1 3.81Å; Y420-I443 HydrophobicContact CE2-CG2 4.48Å; Y420-I443 HydrophobicContact CG-CD1 3.45Å; Y420-I443 VanDerWaalsContact CG-CD1 3.45Å; S439-I443 WeakPolarHBondContact O-CG1 3.41Å; S439-I443 PolarHBondContact O-N 3.37Å; L440-I443 HydrophobicContact CD2-CD1 4.32Å; L440-I443 PolarHBondContact O-N 3.3Å; I443-L445 VanDerWaalsContact C-N 3.3Å; I443-L445 PolarHBondContact O-N 2.97Å; I443-L446 WeakPolarHBondContact O-CB 3.35Å; I443-L446 PolarHBondContact O-N 2.89Å; I443-I447 HydrophobicContact CG2-CD1 4Å; I443-I447 HydrophobicContact CG2-CG1 4.46Å; I443-I447 WeakPolarHBondContact O-CG1 3.29Å; I443-I447 PolarHBondContact O-N 3.5Å; I443-Y459 HydrophobicContact CG2-CD2 4.35Å; I443-Y459 HydrophobicContact CG2-CE2 4.14Å; I443-L527 HydrophobicContact CG2-CD1 4Å
444	G	89.5	Confident	80.1	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-59	-39.1	173.4	0	0	0	0	0	113.4	L440 P441 D442 I447 E448 S457	L440-G444 PolarHBondContact O-N 2.89Å; P441-G444 PolarHBondContact O-N 2.96Å; D442-G444 VanDerWaalsContact C-N 3.25Å; D442-G444 PolarHBondContact O-N 2.91Å; G444-I447 PolarHBondContact O-N 3.19Å; G444-E448 WeakPolarHBondContact O-CG 3.38Å; G444-E448 PolarHBondContact O-N 2.98Å; G444-E448 VanDerWaalsContact O-N 3.09Å; G444-S457 PolarHBondContact O-OG 3.45Å
445	L	87.8	Confident	81	Confident	88 Å²	88	44 Å²	44	46%	0.461	24%	0.236	S	C	.	.	H	α-helix	trans	-67	-40.6	174.9	-175.8	67.5	0	0	0	111.6	P441 D442 I443 E448 K449	P441-L445 PolarHBondContact O-N 3.26Å; P441-L445 VanDerWaalsContact O-N 3.09Å; D442-L445 WeakPolarHBondContact O-CB 3.25Å; D442-L445 PolarHBondContact O-N 3.4Å; I443-L445 VanDerWaalsContact C-N 3.3Å; I443-L445 PolarHBondContact O-N 2.97Å; L445-E448 PolarHBondContact O-N 3.18Å; L445-K449 PolarHBondContact O-N 3.49Å
446	L	87.9	Confident	82.1	Confident	9 Å²	9	40.6 Å²	40.6	5%	0.047	22%	0.215	C	C	.	.	H	α-helix	trans	-60.8	-46.2	174.7	-177.2	62.4	0	0	0	111.5	L430 M434 D442 I443 E448 K449 L450	L430-L446 HydrophobicContact CD2-CD2 3.51Å; M434-L446 HydrophobicContact CE-CB 3.73Å; M434-L446 HydrophobicContact CE-CD1 4.27Å; M434-L446 HydrophobicContact CE-CD2 4.48Å; M434-L446 HydrophobicContact CE-CG 4.37Å; M434-L446 HydrophobicContact SD-CB 4.4Å; M434-L446 HydrophobicContact SD-CD2 4.22Å; D442-L446 PolarHBondContact O-N 2.9Å; I443-L446 WeakPolarHBondContact O-CB 3.35Å; I443-L446 PolarHBondContact O-N 2.89Å; L446-E448 VanDerWaalsContact C-N 3.31Å; L446-E448 PolarHBondContact O-N 3.41Å; L446-K449 WeakPolarHBondContact O-CB 3.43Å; L446-K449 PolarHBondContact O-N 2.8Å; L446-L450 HydrophobicContact CD1-CD1 4.2Å; L446-L450 HydrophobicContact CD1-CG 4.27Å; L446-L450 HydrophobicContact CG-CD1 3.96Å; L446-L450 HydrophobicContact CG-CG 4.41Å; L446-L450 WeakPolarHBondContact O-CG 3.23Å; L446-L450 PolarHBondContact O-N 2.94Å
447	I	90.2	Very high	83.2	Confident	2 Å²	2	34.5 Å²	34.5	1%	0.01	18%	0.182	C	C	.	.	H	α-helix	trans	-60.5	-42.7	177.9	-67.9	167.1	0	0	0	110.6	I443 G444 L450 M451 Y455 Y459 L523 L527	I443-I447 HydrophobicContact CG2-CD1 4Å; I443-I447 HydrophobicContact CG2-CG1 4.46Å; I443-I447 WeakPolarHBondContact O-CG1 3.29Å; I443-I447 PolarHBondContact O-N 3.5Å; G444-I447 PolarHBondContact O-N 3.19Å; I447-L450 PolarHBondContact O-N 3.29Å; I447-M451 HydrophobicContact CG2-CG 4.04Å; I447-M451 VanDerWaalsContact O-CB 3.25Å; I447-M451 WeakPolarHBondContact O-CB 3.11Å; I447-M451 VanDerWaalsContact O-CG 3.27Å; I447-M451 WeakPolarHBondContact O-CG 3.15Å; I447-M451 PolarHBondContact O-N 3.48Å; I447-Y455 HydrophobicContact CG2-CD1 4.34Å; I447-Y455 HydrophobicContact CG2-CE1 3.8Å; I447-Y459 HydrophobicContact CD1-CD2 4.11Å; I447-Y459 HydrophobicContact CD1-CE2 3.8Å; I447-L523 HydrophobicContact CD1-CD1 4.18Å; I447-L523 HydrophobicContact CD1-CD2 4.46Å; I447-L527 HydrophobicContact CD1-CD1 4.24Å; I447-L527 HydrophobicContact CG1-CD1 4.05Å
448	E	89.7	Confident	84.2	Confident	33 Å²	33	30 Å²	30	15%	0.154	16%	0.155	C	C	.	.	H	α-helix	trans	-64.6	-38.9	176.8	-72.5	-179.9	-170.5	0	0	112.6	G444 L445 L446 G452 Y455 R456 S457 R460	G444-E448 WeakPolarHBondContact O-CG 3.38Å; G444-E448 PolarHBondContact O-N 2.98Å; G444-E448 VanDerWaalsContact O-N 3.09Å; L445-E448 PolarHBondContact O-N 3.18Å; L446-E448 VanDerWaalsContact C-N 3.31Å; L446-E448 PolarHBondContact O-N 3.41Å; E448-G452 PolarHBondContact O-N 2.91Å; E448-Y455 HydrophobicContact CG-CD1 4.48Å; E448-Y455 WeakPolarHBondContact CG-O 3.48Å; E448-R456 WeakPolarHBondContact OE1-CA 3.25Å; E448-S457 PolarHBondContact OE1-N 3.22Å; E448-S457 PolarHBondContact OE1-OG 3.4Å; E448-R460 WeakPolarHBondContact OE1-CB 3.5Å; E448-R460 WeakPolarHBondContact OE1-CD 3.45Å; E448-R460 WeakPolarHBondContact OE2-CD 3.45Å; E448-R460 IonicContact OE2-CZ 3.57Å; E448-R460 IonicContact OE2-NE 3.08Å; E448-R460 IonicContact OE2-NH1 3.38Å; E448-R460 PolarHBondContact OE2-NH1 3.35Å
449	K	86.7	Confident	84.8	Confident	137 Å²	137	29.3 Å²	29.3	60%	0.596	15%	0.152	S	C	*	.	H	α-helix	trans	-62.8	-44.4	173.4	-173.6	-172.7	173.1	-160.9	0	111.4	L445 L446 E561	L445-K449 PolarHBondContact O-N 3.49Å; L446-K449 WeakPolarHBondContact O-CB 3.43Å; L446-K449 PolarHBondContact O-N 2.8Å; K449-E561 IonicContact NZ-OE1 2.91Å; K449-E561 PolarHBondContact NZ-OE1 3.37Å
450	L	88.2	Confident	84.8	Confident	11 Å²	11	33.2 Å²	33.2	6%	0.058	16%	0.162	C	C	.	.	H	α-helix	trans	-74.3	-35.1	-177.8	-69.3	174.2	0	0	0	113.4	L446 I447 L527 K553 L554 S557 M558	L446-L450 HydrophobicContact CD1-CD1 4.2Å; L446-L450 HydrophobicContact CD1-CG 4.27Å; L446-L450 HydrophobicContact CG-CD1 3.96Å; L446-L450 HydrophobicContact CG-CG 4.41Å; L446-L450 WeakPolarHBondContact O-CG 3.23Å; L446-L450 PolarHBondContact O-N 2.94Å; I447-L450 PolarHBondContact O-N 3.29Å; L450-L527 HydrophobicContact CD1-CD2 3.9Å; L450-K553 WeakPolarHBondContact O-CE 3.31Å; L450-L554 HydrophobicContact CB-CD2 3.83Å; L450-L554 HydrophobicContact CD1-CD2 4.29Å; L450-S557 VanDerWaalsContact O-CB 3.3Å; L450-S557 WeakPolarHBondContact O-CB 3.42Å; L450-S557 PolarHBondContact O-OG 3.49Å; L450-M558 HydrophobicContact CD1-CG 4.19Å; L450-M558 HydrophobicContact CD2-CG 4.47Å
451	M	88.2	Confident	84.7	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-78.3	-35.2	179.5	-73.6	-67.5	-74.3	0	0	112.6	I447 Y455 V550 K553 L554 L626	I447-M451 HydrophobicContact CG2-CG 4.04Å; I447-M451 VanDerWaalsContact O-CB 3.25Å; I447-M451 WeakPolarHBondContact O-CB 3.11Å; I447-M451 VanDerWaalsContact O-CG 3.27Å; I447-M451 WeakPolarHBondContact O-CG 3.15Å; I447-M451 PolarHBondContact O-N 3.48Å; M451-Y455 HydrophobicContact CB-CD1 3.76Å; M451-Y455 HydrophobicContact CB-CG 3.8Å; M451-Y455 HydrophobicContact CE-CD2 3.94Å; M451-Y455 HydrophobicContact CE-CE2 4.03Å; M451-Y455 HydrophobicContact CE-CG 4.26Å; M451-Y455 HydrophobicContact CG-CD1 3.87Å; M451-Y455 HydrophobicContact CG-CE1 4.16Å; M451-Y455 HydrophobicContact CG-CG 4.17Å; M451-V550 HydrophobicContact CE-CB 4.35Å; M451-V550 HydrophobicContact CE-CG1 3.96Å; M451-V550 HydrophobicContact CE-CG2 3.95Å; M451-V550 HydrophobicContact SD-CG1 3.9Å; M451-K553 HydrophobicContact CE-CG 4.31Å; M451-K553 WeakPolarHBondContact O-CE 3.46Å; M451-K553 HydrophobicContact SD-CB 4.03Å; M451-K553 HydrophobicContact SD-CG 3.55Å; M451-K553 VanDerWaalsContact SD-CG 3.55Å; M451-L554 HydrophobicContact CG-CD2 3.95Å; M451-L554 HydrophobicContact SD-CD2 3.92Å; M451-L554 HydrophobicContact SD-CG 3.98Å; M451-L626 HydrophobicContact CE-CD2 4.25Å
452	G	81	Confident	84.5	Confident	12 Å²	12	43.7 Å²	43.7	12%	0.124	20%	0.198	C	C	.	.			trans	60	-164.2	-177.5	0	0	0	0	0	113.1	E448 G454 Y455	E448-G452 PolarHBondContact O-N 2.91Å; G452-G454 VanDerWaalsContact C-N 3.26Å; G452-G454 PolarHBondContact O-N 3.06Å; G452-Y455 VanDerWaalsContact O-CB 3.3Å; G452-Y455 WeakPolarHBondContact O-CB 3.25Å; G452-Y455 PolarHBondContact O-N 3.11Å; G452-Y455 VanDerWaalsContact O-N 3.12Å
453	G	67.4	Low	84.2	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	21.6	168.9	0	0	0	0	0	117.1	Y455 F1081 N1084	G453-Y455 PolarHBondContact O-N 3.31Å; G453-F1081 WeakPolarHBondContact O-CA 3.49Å; G453-F1081 WeakPolarHBondContact O-CD2 3.33Å; G453-N1084 VanDerWaalsContact CA-C 3.49Å; G453-N1084 PolarHBondContact N-O 3.36Å; G453-N1084 VanDerWaalsContact N-O 3.1Å
454	G	70.4	Confident	83.9	Confident	23 Å²	23	48.3 Å²	48.3	24%	0.237	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.9	22.8	-179.9	0	0	0	0	0	112.5	G452 N1084	G452-G454 VanDerWaalsContact C-N 3.26Å; G452-G454 PolarHBondContact O-N 3.06Å; G454-N1084 WeakPolarHBondContact CA-ND2 3.25Å; G454-N1084 PolarHBondContact N-ND2 3.4Å; G454-N1084 VanDerWaalsContact N-ND2 3.14Å
455	Y	81.8	Confident	83.6	Confident	11 Å²	11	54.9 Å²	54.9	4%	0.043	24%	0.242	C	C	.	.			trans	-60.7	136.9	165.1	-175.7	-96.9	0	0	0	109.4	I447 E448 M451 G452 G453 W618	I447-Y455 HydrophobicContact CG2-CD1 4.34Å; I447-Y455 HydrophobicContact CG2-CE1 3.8Å; E448-Y455 HydrophobicContact CG-CD1 4.48Å; E448-Y455 WeakPolarHBondContact CG-O 3.48Å; M451-Y455 HydrophobicContact CB-CD1 3.76Å; M451-Y455 HydrophobicContact CB-CG 3.8Å; M451-Y455 HydrophobicContact CE-CD2 3.94Å; M451-Y455 HydrophobicContact CE-CE2 4.03Å; M451-Y455 HydrophobicContact CE-CG 4.26Å; M451-Y455 HydrophobicContact CG-CD1 3.87Å; M451-Y455 HydrophobicContact CG-CE1 4.16Å; M451-Y455 HydrophobicContact CG-CG 4.17Å; G452-Y455 VanDerWaalsContact O-CB 3.3Å; G452-Y455 WeakPolarHBondContact O-CB 3.25Å; G452-Y455 PolarHBondContact O-N 3.11Å; G452-Y455 VanDerWaalsContact O-N 3.12Å; G453-Y455 PolarHBondContact O-N 3.31Å; Y455-W618 VanDerWaalsContact CE2-C 3.48Å; Y455-W618 HydrophobicContact CE2-CB 4.35Å; Y455-W618 WeakPolarHBondContact CE2-O 3.41Å
456	R	84.4	Confident	83.2	Confident	121 Å²	121	53.7 Å²	53.7	46%	0.457	24%	0.24	S	C	.	.			trans	-119	118.1	174.6	-171.9	177.1	-179.1	-179.1	0.7	108.8	E448 R460 G619	E448-R456 WeakPolarHBondContact OE1-CA 3.25Å; R456-R460 PolarHBondContact NH2-O 2.76Å; R456-R460 VanDerWaalsContact NH2-O 3.08Å; R456-G619 VanDerWaalsContact O-CA 3.26Å; R456-G619 WeakPolarHBondContact O-CA 3.37Å
457	S	85.7	Confident	82.8	Confident	1 Å²	1	57.8 Å²	57.8	1%	0.007	26%	0.255	C	S	.	.			trans	-63.7	152.8	177.7	62.7	0	0	0	0	111.2	G444 E448 Y459 R460	G444-S457 PolarHBondContact O-OG 3.45Å; E448-S457 PolarHBondContact OE1-N 3.22Å; E448-S457 PolarHBondContact OE1-OG 3.4Å; S457-Y459 VanDerWaalsContact C-N 3.31Å; S457-R460 PolarHBondContact O-N 3.48Å; S457-R460 WeakPolarHBondContact OG-CB 3.48Å; S457-R460 WeakPolarHBondContact OG-CG 3.44Å; S457-R460 PolarHBondContact OG-N 2.68Å
458	T	85.7	Confident	82.3	Confident	30 Å²	30	58.9 Å²	58.9	18%	0.184	26%	0.259	C	S	.	.	S	Bend	trans	-59.8	-43.9	170.6	45.7	0	0	0	0	110.5	R460 R461 F464 N617	T458-R460 VanDerWaalsContact C-N 3.25Å; T458-R460 PolarHBondContact O-N 2.8Å; T458-R461 WeakPolarHBondContact O-CB 3.44Å; T458-R461 WeakPolarHBondContact O-CG 3.25Å; T458-R461 PolarHBondContact O-N 2.91Å; T458-F464 WeakPolarHBondContact O-CB 2.95Å; T458-N617 WeakPolarHBondContact CG2-O 3.5Å
459	Y	85.6	Confident	81.8	Confident	1 Å²	1	62.6 Å²	62.6	0%	0.004	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-25.8	-178.1	-50.6	-37.8	0	0	0	114.4	L440 I443 I447 S457 F464 F514 D520	L440-Y459 WeakPolarHBondContact O-CB 3.49Å; I443-Y459 HydrophobicContact CG2-CD2 4.35Å; I443-Y459 HydrophobicContact CG2-CE2 4.14Å; I447-Y459 HydrophobicContact CD1-CD2 4.11Å; I447-Y459 HydrophobicContact CD1-CE2 3.8Å; S457-Y459 VanDerWaalsContact C-N 3.31Å; Y459-F464 AromaticContact CD1-CE1 3.93Å; Y459-F464 HydrophobicContact CD1-CE1 3.93Å; Y459-F464 HydrophobicContact CD1-CE2 4.04Å; Y459-F464 AromaticContact CD1-CZ 3.64Å; Y459-F464 HydrophobicContact CD1-CZ 3.64Å; Y459-F464 HydrophobicContact CE1-CZ 4.29Å; Y459-F464 HydrophobicContact CG-CE1 4.47Å; Y459-F464 WeakPolarHBondContact O-CD1 3.44Å; Y459-F514 HydrophobicContact CE1-CE1 4.31Å; Y459-D520 WeakPolarHBondContact CE1-OD1 3.18Å; Y459-D520 PolarHBondContact OH-OD1 3.07Å
460	R	83.8	Confident	81.1	Confident	113 Å²	113	61.2 Å²	61.2	43%	0.426	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	7.5	176.5	-66.2	-167.5	70.7	-158.9	9.5	114.6	E448 R456 S457 T458	E448-R460 WeakPolarHBondContact OE1-CB 3.5Å; E448-R460 WeakPolarHBondContact OE1-CD 3.45Å; E448-R460 WeakPolarHBondContact OE2-CD 3.45Å; E448-R460 IonicContact OE2-CZ 3.57Å; E448-R460 IonicContact OE2-NE 3.08Å; E448-R460 IonicContact OE2-NH1 3.38Å; E448-R460 PolarHBondContact OE2-NH1 3.35Å; R456-R460 PolarHBondContact NH2-O 2.76Å; R456-R460 VanDerWaalsContact NH2-O 3.08Å; S457-R460 PolarHBondContact O-N 3.48Å; S457-R460 WeakPolarHBondContact OG-CB 3.48Å; S457-R460 WeakPolarHBondContact OG-CG 3.44Å; S457-R460 PolarHBondContact OG-N 2.68Å; T458-R460 VanDerWaalsContact C-N 3.25Å; T458-R460 PolarHBondContact O-N 2.8Å
461	R	83.5	Confident	80.2	Confident	49 Å²	49	61.5 Å²	61.5	19%	0.185	27%	0.273	C	S	.	.	S	Bend	trans	-69	147.1	171.4	-67.8	-175.7	-177.8	178.8	2.4	110.3	T458 E463 F464 R465 K616	T458-R461 WeakPolarHBondContact O-CB 3.44Å; T458-R461 WeakPolarHBondContact O-CG 3.25Å; T458-R461 PolarHBondContact O-N 2.91Å; R461-E463 VanDerWaalsContact C-N 3.28Å; R461-E463 PolarHBondContact O-N 3.43Å; R461-F464 HydrophobicContact CB-CB 4.36Å; R461-F464 PolarHBondContact O-N 2.96Å; R461-R465 WeakPolarHBondContact O-CB 3.35Å; R461-R465 PolarHBondContact O-N 2.99Å; R461-K616 VanDerWaalsContact CZ-O 3.25Å; R461-K616 PolarHBondContact NH1-O 2.91Å; R461-K616 PolarHBondContact NH2-O 2.96Å
462	R	82.2	Confident	79.3	Confident	199 Å²	199	65 Å²	65	75%	0.751	29%	0.292	S	S	*	.	H	α-helix	trans	-62.6	-39.7	179.6	-73.6	-175.5	176.7	179.5	-1.6	111.1	S466	R462-S466 WeakPolarHBondContact O-CB 3.41Å; R462-S466 PolarHBondContact O-N 3.45Å
463	E	79.5	Confident	78.6	Confident	148 Å²	148	71.9 Å²	71.9	69%	0.692	32%	0.318	S	S	*	.	H	α-helix	trans	-59.2	-54.2	177.1	-68.7	158.6	-168.8	0	0	111.1	R461 R465 S466 R467	R461-E463 VanDerWaalsContact C-N 3.28Å; R461-E463 PolarHBondContact O-N 3.43Å; E463-R465 PolarHBondContact O-N 3.09Å; E463-S466 PolarHBondContact O-N 2.98Å; E463-R467 PolarHBondContact O-N 3.19Å; E463-R467 VanDerWaalsContact O-N 3.12Å
464	F	83.5	Confident	78.2	Confident	25 Å²	25	73.3 Å²	73.3	11%	0.11	33%	0.327	C	S	.	.	H	α-helix	trans	-58.6	-49.6	177.1	-174.4	-88.1	0	0	0	112.3	L440 T458 Y459 R461 S466 R467 Y468 F513 F514	L440-F464 HydrophobicContact CB-CE1 4.37Å; L440-F464 HydrophobicContact CD1-CZ 4.17Å; T458-F464 WeakPolarHBondContact O-CB 2.95Å; Y459-F464 AromaticContact CD1-CE1 3.93Å; Y459-F464 HydrophobicContact CD1-CE1 3.93Å; Y459-F464 HydrophobicContact CD1-CE2 4.04Å; Y459-F464 AromaticContact CD1-CZ 3.64Å; Y459-F464 HydrophobicContact CD1-CZ 3.64Å; Y459-F464 HydrophobicContact CE1-CZ 4.29Å; Y459-F464 HydrophobicContact CG-CE1 4.47Å; Y459-F464 WeakPolarHBondContact O-CD1 3.44Å; R461-F464 HydrophobicContact CB-CB 4.36Å; R461-F464 PolarHBondContact O-N 2.96Å; F464-S466 PolarHBondContact O-N 3.45Å; F464-R467 PolarHBondContact O-N 2.97Å; F464-R467 VanDerWaalsContact O-N 3.17Å; F464-Y468 WeakPolarHBondContact O-CB 3.38Å; F464-Y468 PolarHBondContact O-N 2.98Å; F464-F513 HydrophobicContact CD2-CE1 4.09Å; F464-F513 HydrophobicContact CD2-CZ 4.38Å; F464-F513 HydrophobicContact CE2-CD1 4.21Å; F464-F513 AromaticContact CE2-CE1 3.31Å; F464-F513 HydrophobicContact CE2-CE1 3.31Å; F464-F513 AromaticContact CE2-CZ 3.92Å; F464-F513 HydrophobicContact CE2-CZ 3.92Å; F464-F513 AromaticContact CZ-CE1 3.59Å; F464-F513 HydrophobicContact CZ-CE1 3.59Å; F464-F513 HydrophobicContact CZ-CZ 4.06Å; F464-F514 HydrophobicContact CE2-CD1 4.19Å; F464-F514 AromaticContact CE2-CE1 3.72Å; F464-F514 HydrophobicContact CE2-CE1 3.72Å; F464-F514 HydrophobicContact CZ-CE1 4.02Å
465	R	82.8	Confident	77.6	Confident	139 Å²	139	73.6 Å²	73.6	53%	0.525	32%	0.323	S	S	.	.	H	α-helix	trans	-61.3	-33.3	-179.6	-169.1	178.6	-174.9	-168.9	1.6	112.6	R461 E463 K469	R461-R465 WeakPolarHBondContact O-CB 3.35Å; R461-R465 PolarHBondContact O-N 2.99Å; E463-R465 PolarHBondContact O-N 3.09Å; R465-K469 WeakPolarHBondContact O-CB 3.49Å; R465-K469 VanDerWaalsContact O-CG 3.3Å; R465-K469 WeakPolarHBondContact O-CG 3.34Å; R465-K469 PolarHBondContact O-N 3.2Å; R465-K469 VanDerWaalsContact O-N 3.12Å
466	S	79	Confident	76.5	Confident	62 Å²	62	77.6 Å²	77.6	43%	0.434	34%	0.344	S	S	.	.	H	α-helix	trans	-67.8	-48.1	175.7	-167.5	0	0	0	0	111.2	R462 E463 F464 K469 Q470	R462-S466 WeakPolarHBondContact O-CB 3.41Å; R462-S466 PolarHBondContact O-N 3.45Å; E463-S466 PolarHBondContact O-N 2.98Å; F464-S466 PolarHBondContact O-N 3.45Å; S466-K469 PolarHBondContact O-N 3.02Å; S466-Q470 WeakPolarHBondContact O-CG 3.4Å; S466-Q470 PolarHBondContact O-N 3.05Å; S466-Q470 VanDerWaalsContact O-N 3.12Å
467	R	78.5	Confident	75.1	Confident	96 Å²	96	74.3 Å²	74.3	36%	0.362	34%	0.343	S	S	.	.	H	α-helix	trans	-62.6	-45.1	177.4	-68.3	-176.4	177.1	-176.4	-1.6	111.8	E463 F464 K469 Q470 C471 F513	E463-R467 PolarHBondContact O-N 3.19Å; E463-R467 VanDerWaalsContact O-N 3.12Å; F464-R467 PolarHBondContact O-N 2.97Å; F464-R467 VanDerWaalsContact O-N 3.17Å; R467-K469 PolarHBondContact O-N 2.89Å; R467-Q470 WeakPolarHBondContact O-CB 3.39Å; R467-Q470 PolarHBondContact O-N 3.25Å; R467-Q470 VanDerWaalsContact O-N 3.14Å; R467-C471 PolarHBondContact O-N 2.92Å; R467-F513 HydrophobicContact CB-CD2 4.45Å; R467-F513 HydrophobicContact CB-CE2 3.69Å; R467-F513 HydrophobicContact CB-CZ 4.31Å
468	Y	80.6	Confident	73.5	Confident	24 Å²	24	74.9 Å²	74.9	9%	0.094	35%	0.347	C	S	.	.	H	α-helix	trans	-59.4	-45.9	177.5	177.4	-99.5	0	0	0	112.3	P413 E417 L440 P441 F464 Q470 C471 L472	P413-Y468 HydrophobicContact CB-CD2 4.19Å; P413-Y468 HydrophobicContact CB-CE2 4.35Å; E417-Y468 VanDerWaalsContact OE1-CE2 3.24Å; E417-Y468 WeakPolarHBondContact OE1-CE2 3.25Å; E417-Y468 PolarHBondContact OE1-OH 3.38Å; E417-Y468 PolarHBondContact OE2-OH 3.38Å; L440-Y468 HydrophobicContact CB-CE2 4.31Å; L440-Y468 HydrophobicContact CD1-CD2 4.11Å; L440-Y468 HydrophobicContact CD1-CE2 3.88Å; L440-Y468 HydrophobicContact CG-CE2 4.39Å; P441-Y468 HydrophobicContact CG-CD1 4.23Å; P441-Y468 HydrophobicContact CG-CE1 4.06Å; F464-Y468 WeakPolarHBondContact O-CB 3.38Å; F464-Y468 PolarHBondContact O-N 2.98Å; Y468-Q470 VanDerWaalsContact C-N 3.29Å; Y468-Q470 PolarHBondContact O-N 3.18Å; Y468-C471 PolarHBondContact O-N 2.73Å; Y468-L472 HydrophobicContact CD1-CD1 4.18Å; Y468-L472 HydrophobicContact CE1-CD1 3.46Å; Y468-L472 VanDerWaalsContact CE1-CD1 3.46Å; Y468-L472 HydrophobicContact CE2-CD1 3.93Å; Y468-L472 PolarHBondContact O-N 3.28Å; Y468-L472 WeakPolarHBondContact OH-CD1 3.2Å
469	K	79.7	Confident	71.9	Confident	111 Å²	111	79.8 Å²	79.8	48%	0.483	37%	0.366	S	S	.	.	H	α-helix	trans	-64.2	-31.7	175.4	-77.2	-177.5	175.9	-166.3	0	113.5	R465 S466 R467 K473	R465-K469 WeakPolarHBondContact O-CB 3.49Å; R465-K469 VanDerWaalsContact O-CG 3.3Å; R465-K469 WeakPolarHBondContact O-CG 3.34Å; R465-K469 PolarHBondContact O-N 3.2Å; R465-K469 VanDerWaalsContact O-N 3.12Å; S466-K469 PolarHBondContact O-N 3.02Å; R467-K469 PolarHBondContact O-N 2.89Å; K469-K473 WeakPolarHBondContact O-CG 3.31Å; K469-K473 PolarHBondContact O-N 3.09Å
470	Q	72	Confident	70.4	Confident	108 Å²	108	86 Å²	86	51%	0.505	40%	0.395	S	S	.	.	H	α-helix	trans	-68.7	-45.2	175.2	-73.6	167.3	-9.1	0	0	110.6	S466 R467 Y468 L472 K473 V474	S466-Q470 WeakPolarHBondContact O-CG 3.4Å; S466-Q470 PolarHBondContact O-N 3.05Å; S466-Q470 VanDerWaalsContact O-N 3.12Å; R467-Q470 WeakPolarHBondContact O-CB 3.39Å; R467-Q470 PolarHBondContact O-N 3.25Å; R467-Q470 VanDerWaalsContact O-N 3.14Å; Y468-Q470 VanDerWaalsContact C-N 3.29Å; Y468-Q470 PolarHBondContact O-N 3.18Å; Q470-L472 PolarHBondContact O-N 2.93Å; Q470-K473 PolarHBondContact O-N 3.4Å; Q470-V474 WeakPolarHBondContact O-CG2 3.4Å; Q470-V474 PolarHBondContact O-N 3.08Å
471	C	68.8	Low	68.8	Low	17 Å²	17	88.8 Å²	88.8	12%	0.115	41%	0.407	C	S	.	.	H	α-helix	trans	-58.7	-46.8	176.1	-173.4	0	0	0	0	111.8	R467 Y468 K473 V474 N475	R467-C471 PolarHBondContact O-N 2.92Å; Y468-C471 PolarHBondContact O-N 2.73Å; C471-K473 VanDerWaalsContact C-N 3.33Å; C471-K473 PolarHBondContact O-N 3.12Å; C471-V474 PolarHBondContact O-N 2.98Å; C471-V474 VanDerWaalsContact O-N 3.13Å; C471-N475 PolarHBondContact O-N 3.08Å
472	L	69.9	Low	67.2	Low	75 Å²	75	88.4 Å²	88.4	39%	0.393	41%	0.408	S	S	.	.	H	α-helix	trans	-60	-39.4	176.9	-121.1	119.9	0	0	0	113.3	Y468 Q470 N475 I476	Y468-L472 HydrophobicContact CD1-CD1 4.18Å; Y468-L472 HydrophobicContact CE1-CD1 3.46Å; Y468-L472 VanDerWaalsContact CE1-CD1 3.46Å; Y468-L472 HydrophobicContact CE2-CD1 3.93Å; Y468-L472 PolarHBondContact O-N 3.28Å; Y468-L472 WeakPolarHBondContact OH-CD1 3.2Å; Q470-L472 PolarHBondContact O-N 2.93Å; L472-N475 PolarHBondContact O-N 2.69Å; L472-I476 WeakPolarHBondContact O-CD1 3.46Å; L472-I476 VanDerWaalsContact O-CG1 3.31Å; L472-I476 WeakPolarHBondContact O-CG1 3.36Å; L472-I476 PolarHBondContact O-N 3.35Å; L472-I476 VanDerWaalsContact O-N 3.14Å
473	K	66.4	Low	65.7	Low	156 Å²	156	83.1 Å²	83.1	68%	0.678	39%	0.394	S	S	*	.	H	α-helix	trans	-67.1	-37.3	176.8	-77.8	-178.5	176.9	-166.9	0	112.5	K469 Q470 C471 N475 I476 A477	K469-K473 WeakPolarHBondContact O-CG 3.31Å; K469-K473 PolarHBondContact O-N 3.09Å; Q470-K473 PolarHBondContact O-N 3.4Å; C471-K473 VanDerWaalsContact C-N 3.33Å; C471-K473 PolarHBondContact O-N 3.12Å; K473-N475 VanDerWaalsContact C-N 3.35Å; K473-I476 PolarHBondContact O-N 3.43Å; K473-A477 WeakPolarHBondContact O-CB 3.47Å; K473-A477 PolarHBondContact O-N 2.97Å
474	V	59.5	Low	64.3	Low	30 Å²	30	82.4 Å²	82.4	18%	0.182	39%	0.389	C	S	.	.	H	α-helix	trans	-65.3	-41.8	176.9	171.2	0	0	0	0	110	Q470 C471 I476 A477 C478 I504	Q470-V474 WeakPolarHBondContact O-CG2 3.4Å; Q470-V474 PolarHBondContact O-N 3.08Å; C471-V474 PolarHBondContact O-N 2.98Å; C471-V474 VanDerWaalsContact O-N 3.13Å; V474-I476 PolarHBondContact O-N 2.74Å; V474-A477 PolarHBondContact O-N 3.18Å; V474-C478 WeakPolarHBondContact O-CB 3.47Å; V474-C478 PolarHBondContact O-N 3.4Å; V474-I504 HydrophobicContact CG1-CG2 3.63Å
475	N	56.9	Low	62.8	Low	29 Å²	29	84.5 Å²	84.5	16%	0.155	40%	0.401	C	S	.	.	H	α-helix	trans	-66.7	-37.5	178.8	-65.2	-17.7	0	0	0	112.4	E414 C471 L472 K473 C478 F479 C505	E414-N475 VanDerWaalsContact CD-ND2 3.28Å; E414-N475 PolarHBondContact OE1-ND2 2.96Å; C471-N475 PolarHBondContact O-N 3.08Å; L472-N475 PolarHBondContact O-N 2.69Å; K473-N475 VanDerWaalsContact C-N 3.35Å; N475-C478 PolarHBondContact O-N 3.17Å; N475-F479 WeakPolarHBondContact O-CB 3.13Å; N475-F479 PolarHBondContact O-N 2.91Å; N475-C505 PolarHBondContact OD1-SG 3.3Å
476	I	59	Low	61.1	Low	96 Å²	96	85 Å²	85	49%	0.492	41%	0.409	S	S	.	.	H	α-helix	trans	-65.4	-46	173.4	-64.6	163.5	0	0	0	111.1	L472 K473 V474 C478 F479 E480	L472-I476 WeakPolarHBondContact O-CD1 3.46Å; L472-I476 VanDerWaalsContact O-CG1 3.31Å; L472-I476 WeakPolarHBondContact O-CG1 3.36Å; L472-I476 PolarHBondContact O-N 3.35Å; L472-I476 VanDerWaalsContact O-N 3.14Å; K473-I476 PolarHBondContact O-N 3.43Å; V474-I476 PolarHBondContact O-N 2.74Å; I476-C478 VanDerWaalsContact C-N 3.32Å; I476-C478 PolarHBondContact O-N 3Å; I476-F479 PolarHBondContact O-N 2.62Å; I476-E480 PolarHBondContact O-N 2.92Å
477	A	54.3	Low	59.7	Low	51 Å²	51	89 Å²	89	42%	0.421	42%	0.423	S	S	.	.	H	α-helix	trans	-66.1	-35.6	178.2	0	0	0	0	0	112.3	K473 V474 E480 Y481	K473-A477 WeakPolarHBondContact O-CB 3.47Å; K473-A477 PolarHBondContact O-N 2.97Å; V474-A477 PolarHBondContact O-N 3.18Å; A477-E480 PolarHBondContact O-N 3.09Å; A477-Y481 WeakPolarHBondContact O-CB 3.41Å; A477-Y481 PolarHBondContact O-N 3.31Å
478	C	51.5	Low	58.3	Low	13 Å²	13	89 Å²	89	9%	0.088	43%	0.429	C	S	.	.	H	α-helix	trans	-65.7	-40.8	174.2	-173.1	0	0	0	0	110.8	V474 N475 I476 Y481 L482 C501	V474-C478 WeakPolarHBondContact O-CB 3.47Å; V474-C478 PolarHBondContact O-N 3.4Å; N475-C478 PolarHBondContact O-N 3.17Å; I476-C478 VanDerWaalsContact C-N 3.32Å; I476-C478 PolarHBondContact O-N 3Å; C478-Y481 PolarHBondContact O-N 2.7Å; C478-L482 VanDerWaalsContact O-CB 3.32Å; C478-L482 WeakPolarHBondContact O-CB 3.4Å; C478-L482 WeakPolarHBondContact O-CD1 3.14Å; C478-L482 WeakPolarHBondContact O-CG 3.35Å; C478-L482 PolarHBondContact O-N 3.42Å; C478-C501 HydrophobicContact CB-CB 4.47Å; C478-C501 WeakPolarHBondContact CB-SG 3.08Å; C478-C501 VanDerWaalsContact SG-CA 3.57Å; C478-C501 WeakPolarHBondContact SG-CB 3.22Å; C478-C501 CovalentContact SG-SG 2.05Å; C478-C501 PolarHBondContact SG-SG 3.3Å
479	F	52.2	Low	56.3	Low	134 Å²	134	94 Å²	94	59%	0.588	47%	0.465	S	S	*	.	H	α-helix	trans	-65.3	-41.1	174.4	-168.9	-100	0	0	0	112.6	N475 I476 L482 L483	N475-F479 WeakPolarHBondContact O-CB 3.13Å; N475-F479 PolarHBondContact O-N 2.91Å; I476-F479 PolarHBondContact O-N 2.62Å; F479-L482 PolarHBondContact O-N 3.38Å; F479-L483 HydrophobicContact CD1-CD1 3.75Å; F479-L483 HydrophobicContact CE1-CD1 3.45Å; F479-L483 VanDerWaalsContact CE1-CD1 3.45Å; F479-L483 HydrophobicContact CE1-CG 4.35Å; F479-L483 HydrophobicContact CZ-CD1 4.21Å; F479-L483 PolarHBondContact O-N 3.23Å
480	E	55	Low	54.5	Low	132 Å²	132	94.7 Å²	94.7	62%	0.617	47%	0.473	S	S	*	.	H	α-helix	trans	-63.6	-39.8	172.5	-77.3	-178.3	162.5	0	0	112.2	I476 A477 L482 F484	I476-E480 PolarHBondContact O-N 2.92Å; A477-E480 PolarHBondContact O-N 3.09Å; E480-L482 VanDerWaalsContact C-N 3.35Å; E480-F484 PolarHBondContact O-N 3.42Å
481	Y	50.5	Low	53.1	Low	171 Å²	171	93.9 Å²	93.9	67%	0.671	49%	0.494	S	S	*	.	H	α-helix	trans	-67.3	-35.3	174.5	-126.6	-93.8	0	0	0	112.1	A477 C478 F484 I485	A477-Y481 WeakPolarHBondContact O-CB 3.41Å; A477-Y481 PolarHBondContact O-N 3.31Å; C478-Y481 PolarHBondContact O-N 2.7Å; Y481-F484 WeakPolarHBondContact O-CB 3.36Å; Y481-F484 PolarHBondContact O-N 3.4Å; Y481-I485 HydrophobicContact CD1-CD1 4.18Å; Y481-I485 WeakPolarHBondContact O-CG1 3.37Å; Y481-I485 PolarHBondContact O-N 3.34Å
482	L	48.6	Very low	51.7	Low	41 Å²	41	98 Å²	98	22%	0.215	51%	0.514	C	S	.	.	H	α-helix	trans	-69.6	-41.8	177.5	-80.1	164	0	0	0	112.4	C478 F479 E480 F484 I485 E486 S497	C478-L482 VanDerWaalsContact O-CB 3.32Å; C478-L482 WeakPolarHBondContact O-CB 3.4Å; C478-L482 WeakPolarHBondContact O-CD1 3.14Å; C478-L482 WeakPolarHBondContact O-CG 3.35Å; C478-L482 PolarHBondContact O-N 3.42Å; F479-L482 PolarHBondContact O-N 3.38Å; E480-L482 VanDerWaalsContact C-N 3.35Å; L482-F484 PolarHBondContact O-N 3.26Å; L482-I485 PolarHBondContact O-N 3.49Å; L482-I485 VanDerWaalsContact O-N 3.13Å; L482-E486 PolarHBondContact O-N 3.23Å; L482-S497 WeakPolarHBondContact CD2-OG 3.4Å
483	L	50.8	Low	50.6	Low	87 Å²	87	97.1 Å²	97.1	46%	0.455	51%	0.514	S	S	.	.	H	α-helix	trans	-59.1	-33.3	169.9	-92.3	158.1	0	0	0	112.1	F479	F479-L483 HydrophobicContact CD1-CD1 3.75Å; F479-L483 HydrophobicContact CE1-CD1 3.45Å; F479-L483 VanDerWaalsContact CE1-CD1 3.45Å; F479-L483 HydrophobicContact CE1-CG 4.35Å; F479-L483 HydrophobicContact CZ-CD1 4.21Å; F479-L483 PolarHBondContact O-N 3.23Å
484	F	50.6	Low	49.7	Very low	133 Å²	133	96.6 Å²	96.6	58%	0.583	51%	0.514	S	S	*	.	H	α-helix	trans	-74.5	-32.8	175.9	-160.2	-96.5	0	0	0	112.6	E480 Y481 L482 M487	E480-F484 PolarHBondContact O-N 3.42Å; Y481-F484 WeakPolarHBondContact O-CB 3.36Å; Y481-F484 PolarHBondContact O-N 3.4Å; L482-F484 PolarHBondContact O-N 3.26Å; F484-M487 HydrophobicContact CD2-CE 4.35Å
485	I	52.5	Low	48.9	Very low	70 Å²	70	102.3 Å²	102.3	36%	0.359	54%	0.539	S	S	.	.	H	α-helix	trans	-78.6	-33.8	177.7	-69	172.9	0	0	0	112	Y481 L482 M487 L488	Y481-I485 HydrophobicContact CD1-CD1 4.18Å; Y481-I485 WeakPolarHBondContact O-CG1 3.37Å; Y481-I485 PolarHBondContact O-N 3.34Å; L482-I485 PolarHBondContact O-N 3.49Å; L482-I485 VanDerWaalsContact O-N 3.13Å; I485-M487 PolarHBondContact O-N 3.37Å; I485-M487 VanDerWaalsContact O-N 3.13Å; I485-L488 PolarHBondContact O-N 2.74Å
486	E	47.7	Very low	48.2	Very low	148 Å²	148	104.8 Å²	104.8	69%	0.692	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.4	-15.6	173.7	-84.1	-175.5	161.2	0	0	113.5	L482	L482-E486 PolarHBondContact O-N 3.23Å
487	M	48.3	Very low	47.5	Very low	148 Å²	148	101.7 Å²	101.7	73%	0.729	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-5.4	172.6	-71	-158.9	-67.8	0	0	114.5	F484 I485	F484-M487 HydrophobicContact CD2-CE 4.35Å; I485-M487 PolarHBondContact O-N 3.37Å; I485-M487 VanDerWaalsContact O-N 3.13Å
488	L	50.4	Low	47.2	Very low	95 Å²	95	108.4 Å²	108.4	50%	0.497	55%	0.553	S	S	.	*	S	Bend	trans	-97.1	137.5	177	-82.1	141.9	0	0	0	110.9	I485 L490	I485-L488 PolarHBondContact O-N 2.74Å; L488-L490 PolarHBondContact O-N 2.95Å
489	P	38.5	Very low	47	Very low	129 Å²	129	110.5 Å²	110.5	84%	0.838	57%	0.568	S	S	*	*	S	Bend	trans	-78.7	33.7	-172.3	34	-36.4	0	0	0	113.9
490	L	41.5	Very low	46.7	Very low	125 Å²	125	107.7 Å²	107.7	65%	0.654	56%	0.561	S	S	*	*			trans	-107.2	108	174.7	-81.4	127.2	0	0	0	108.2	L488 L492	L488-L490 PolarHBondContact O-N 2.95Å; L490-L492 HydrophobicContact CB-CD1 4.38Å; L490-L492 PolarHBondContact O-N 3.41Å
491	G	41.8	Very low	46.3	Very low	92 Å²	92	102.5 Å²	102.5	95%	0.948	54%	0.539	S	S	*	.			trans	-65.7	64.4	-178.7	0	0	0	0	0	114.3
492	L	40.7	Very low	46.1	Very low	103 Å²	103	98 Å²	98	54%	0.539	53%	0.526	S	S	.	.			trans	-76	121.7	171.2	-85	140.2	0	0	0	109.3	L490 I496	L490-L492 HydrophobicContact CB-CD1 4.38Å; L490-L492 PolarHBondContact O-N 3.41Å; L492-I496 HydrophobicContact CD2-CD1 3.84Å; L492-I496 HydrophobicContact CD2-CG2 4.2Å
493	S	45.8	Very low	46.1	Very low	56 Å²	56	99.5 Å²	99.5	39%	0.392	54%	0.537	S	S	.	.			trans	-55.6	140.2	180	176.4	0	0	0	0	112.1	E495 I496	S493-E495 PolarHBondContact O-N 2.98Å; S493-E495 PolarHBondContact OG-N 3.4Å; S493-I496 PolarHBondContact O-N 3.44Å
494	Q	46.6	Very low	45.9	Very low	145 Å²	145	98 Å²	98	68%	0.678	53%	0.529	S	S	*	.	H	α-helix	trans	-49.8	-23	173.7	-112.6	174.4	2.1	0	0	114
495	E	42.6	Very low	45.6	Very low	151 Å²	151	92.9 Å²	92.9	71%	0.706	51%	0.509	S	S	*	.	H	α-helix	trans	-73.7	-35.6	178.6	-69	172.6	160.7	0	0	112.9	S493 S497 R498 S499	S493-E495 PolarHBondContact O-N 2.98Å; S493-E495 PolarHBondContact OG-N 3.4Å; E495-S497 VanDerWaalsContact C-N 3.34Å; E495-R498 PolarHBondContact O-N 3.33Å; E495-S499 PolarHBondContact O-N 3.38Å; E495-S499 PolarHBondContact O-OG 3.23Å
496	I	42.9	Very low	45.5	Very low	80 Å²	80	93.5 Å²	93.5	41%	0.41	52%	0.516	S	S	.	.	H	α-helix	trans	-70	-35.8	178.2	-61.6	170.1	0	0	0	110.1	L492 S493 R498 S499 V500	L492-I496 HydrophobicContact CD2-CD1 3.84Å; L492-I496 HydrophobicContact CD2-CG2 4.2Å; S493-I496 PolarHBondContact O-N 3.44Å; I496-R498 VanDerWaalsContact C-N 3.33Å; I496-R498 PolarHBondContact O-N 3.47Å; I496-S499 WeakPolarHBondContact CA-OG 3.34Å; I496-S499 PolarHBondContact O-N 2.94Å; I496-S499 PolarHBondContact O-OG 3.41Å; I496-V500 HydrophobicContact CG2-CG2 4.26Å; I496-V500 WeakPolarHBondContact O-CB 3.45Å; I496-V500 WeakPolarHBondContact O-CG2 3.45Å; I496-V500 PolarHBondContact O-N 2.92Å
497	S	45.3	Very low	45.4	Very low	32 Å²	32	92.5 Å²	92.5	22%	0.224	52%	0.516	C	S	.	.	H	α-helix	trans	-61.8	-37.5	176.1	-73.3	0	0	0	0	113.5	L482 E495 C501	L482-S497 WeakPolarHBondContact CD2-OG 3.4Å; E495-S497 VanDerWaalsContact C-N 3.34Å; S497-C501 PolarHBondContact O-N 3.23Å
498	R	47.6	Very low	45.2	Very low	191 Å²	191	95 Å²	95	72%	0.721	52%	0.517	S	S	*	.	H	α-helix	trans	-76.2	-39.8	177.9	-76	179.8	172	159.4	-0.8	112.3	E495 I496 C501 L502	E495-R498 PolarHBondContact O-N 3.33Å; I496-R498 VanDerWaalsContact C-N 3.33Å; I496-R498 PolarHBondContact O-N 3.47Å; R498-C501 PolarHBondContact O-N 3.05Å; R498-L502 WeakPolarHBondContact O-CB 3.29Å; R498-L502 PolarHBondContact O-N 2.91Å
499	S	47.5	Very low	45.2	Very low	58 Å²	58	92.7 Å²	92.7	41%	0.406	51%	0.507	S	S	.	.	H	α-helix	trans	-65.2	-40.4	176.2	62.6	0	0	0	0	111.4	E495 I496 C501 L502 V503	E495-S499 PolarHBondContact O-N 3.38Å; E495-S499 PolarHBondContact O-OG 3.23Å; I496-S499 WeakPolarHBondContact CA-OG 3.34Å; I496-S499 PolarHBondContact O-N 2.94Å; I496-S499 PolarHBondContact O-OG 3.41Å; S499-C501 PolarHBondContact O-N 3.41Å; S499-L502 PolarHBondContact O-N 2.87Å; S499-V503 WeakPolarHBondContact O-CB 3.03Å; S499-V503 WeakPolarHBondContact O-CG2 2.69Å; S499-V503 PolarHBondContact O-N 3.21Å
500	V	46.2	Very low	45.5	Very low	75 Å²	75	90 Å²	90	46%	0.455	50%	0.502	S	S	.	.	H	α-helix	trans	-60.8	-42.9	173.8	171.3	0	0	0	0	111.3	I496 V503 I504	I496-V500 HydrophobicContact CG2-CG2 4.26Å; I496-V500 WeakPolarHBondContact O-CB 3.45Å; I496-V500 WeakPolarHBondContact O-CG2 3.45Å; I496-V500 PolarHBondContact O-N 2.92Å; V500-V503 PolarHBondContact O-N 3.17Å; V500-I504 HydrophobicContact CG1-CD1 3.77Å; V500-I504 HydrophobicContact CG1-CG1 4.49Å; V500-I504 WeakPolarHBondContact O-CD1 3.42Å; V500-I504 WeakPolarHBondContact O-CG1 3.22Å; V500-I504 PolarHBondContact O-N 2.87Å
501	C	45.3	Very low	46.2	Very low	22 Å²	22	87.1 Å²	87.1	15%	0.149	49%	0.493	C	S	.	.	H	α-helix	trans	-66.3	-39.5	178.3	-141.6	0	0	0	0	113	C478 S497 R498 S499 I504 C505	C478-C501 HydrophobicContact CB-CB 4.47Å; C478-C501 WeakPolarHBondContact CB-SG 3.08Å; C478-C501 VanDerWaalsContact SG-CA 3.57Å; C478-C501 WeakPolarHBondContact SG-CB 3.22Å; C478-C501 CovalentContact SG-SG 2.05Å; C478-C501 PolarHBondContact SG-SG 3.3Å; S497-C501 PolarHBondContact O-N 3.23Å; R498-C501 PolarHBondContact O-N 3.05Å; S499-C501 PolarHBondContact O-N 3.41Å; C501-I504 PolarHBondContact O-N 3.44Å; C501-C505 PolarHBondContact O-N 3.49Å; C501-C505 VanDerWaalsContact O-N 3.14Å; C501-C505 PolarHBondContact O-SG 3.3Å
502	L	46.4	Very low	47.3	Very low	76 Å²	76	88.7 Å²	88.7	40%	0.398	47%	0.471	S	S	.	.	H	α-helix	trans	-64.8	-44.6	175.9	-160.5	88	0	0	0	111.2	R498 S499 I504 C505 T506	R498-L502 WeakPolarHBondContact O-CB 3.29Å; R498-L502 PolarHBondContact O-N 2.91Å; S499-L502 PolarHBondContact O-N 2.87Å; L502-I504 PolarHBondContact O-N 3.36Å; L502-C505 WeakPolarHBondContact O-CB 3.28Å; L502-C505 PolarHBondContact O-N 3.4Å; L502-C505 VanDerWaalsContact O-N 3.12Å; L502-T506 PolarHBondContact O-N 3.27Å; L502-T506 PolarHBondContact O-OG1 3.19Å
503	V	48.7	Very low	48.9	Very low	73 Å²	73	85 Å²	85	44%	0.442	45%	0.451	S	S	.	.	H	α-helix	trans	-62.6	-40.7	176.9	171.3	0	0	0	0	111.1	S499 V500 C505 T506 D507	S499-V503 WeakPolarHBondContact O-CB 3.03Å; S499-V503 WeakPolarHBondContact O-CG2 2.69Å; S499-V503 PolarHBondContact O-N 3.21Å; V500-V503 PolarHBondContact O-N 3.17Å; V503-C505 VanDerWaalsContact C-N 3.26Å; V503-C505 PolarHBondContact O-N 3.43Å; V503-T506 WeakPolarHBondContact CA-OG1 3.41Å; V503-T506 PolarHBondContact O-N 3.03Å; V503-T506 PolarHBondContact O-OG1 3.27Å; V503-T506 VanDerWaalsContact O-OG1 3.07Å; V503-D507 WeakPolarHBondContact O-CB 3.37Å; V503-D507 PolarHBondContact O-N 3.46Å
504	I	46.2	Very low	50.6	Low	56 Å²	56	82.8 Å²	82.8	29%	0.287	43%	0.434	S	S	.	.	H	α-helix	trans	-63.8	-33.8	175.7	-64.8	161	0	0	0	111.3	V474 V500 C501 L502 R508	V474-I504 HydrophobicContact CG1-CG2 3.63Å; V500-I504 HydrophobicContact CG1-CD1 3.77Å; V500-I504 HydrophobicContact CG1-CG1 4.49Å; V500-I504 WeakPolarHBondContact O-CD1 3.42Å; V500-I504 WeakPolarHBondContact O-CG1 3.22Å; V500-I504 PolarHBondContact O-N 2.87Å; C501-I504 PolarHBondContact O-N 3.44Å; L502-I504 PolarHBondContact O-N 3.36Å; I504-R508 WeakPolarHBondContact O-CB 3.45Å; I504-R508 PolarHBondContact O-N 2.92Å
505	C	45.5	Very low	52.1	Low	26 Å²	26	82.3 Å²	82.3	18%	0.176	43%	0.431	C	S	.	.	H	α-helix	trans	-72.7	-39.1	175.9	-69	0	0	0	0	112.6	N475 C501 L502 V503 V509	N475-C505 PolarHBondContact OD1-SG 3.3Å; C501-C505 PolarHBondContact O-N 3.49Å; C501-C505 VanDerWaalsContact O-N 3.14Å; C501-C505 PolarHBondContact O-SG 3.3Å; L502-C505 WeakPolarHBondContact O-CB 3.28Å; L502-C505 PolarHBondContact O-N 3.4Å; L502-C505 VanDerWaalsContact O-N 3.12Å; V503-C505 VanDerWaalsContact C-N 3.26Å; V503-C505 PolarHBondContact O-N 3.43Å; C505-V509 VanDerWaalsContact O-CB 3.28Å; C505-V509 WeakPolarHBondContact O-CB 3.21Å; C505-V509 WeakPolarHBondContact O-CG2 3.45Å; C505-V509 PolarHBondContact O-N 2.95Å
506	T	49.9	Very low	54.1	Low	82 Å²	82	76.8 Å²	76.8	50%	0.503	41%	0.407	S	S	.	.	H	α-helix	trans	-75.2	-44.2	179.1	54.1	0	0	0	0	112.2	L502 V503 R508 V509 G510	L502-T506 PolarHBondContact O-N 3.27Å; L502-T506 PolarHBondContact O-OG1 3.19Å; V503-T506 WeakPolarHBondContact CA-OG1 3.41Å; V503-T506 PolarHBondContact O-N 3.03Å; V503-T506 PolarHBondContact O-OG1 3.27Å; V503-T506 VanDerWaalsContact O-OG1 3.07Å; T506-R508 PolarHBondContact O-N 2.99Å; T506-V509 PolarHBondContact O-N 2.99Å; T506-G510 PolarHBondContact O-N 3.21Å
507	D	45.2	Very low	56.3	Low	128 Å²	128	73.1 Å²	73.1	68%	0.684	39%	0.388	S	S	*	.	H	α-helix	trans	-69.6	-34.5	-176.7	-88.9	-8.1	0	0	0	113.2	V503	V503-D507 WeakPolarHBondContact O-CB 3.37Å; V503-D507 PolarHBondContact O-N 3.46Å
508	R	45.1	Very low	58.5	Low	201 Å²	201	73.4 Å²	73.4	76%	0.758	39%	0.386	S	S	*	.	H	α-helix	trans	-83.8	-19.8	178.8	-70.2	-169	175.5	-179.6	2.4	114	I504 T506	I504-R508 WeakPolarHBondContact O-CB 3.45Å; I504-R508 PolarHBondContact O-N 2.92Å; T506-R508 PolarHBondContact O-N 2.99Å
509	V	50.5	Low	60.7	Low	46 Å²	46	64.7 Å²	64.7	28%	0.279	35%	0.353	S	S	.	.	H	α-helix	trans	-99.7	-15.4	-178.4	-176.7	0	0	0	0	112	C505 T506 S511	C505-V509 VanDerWaalsContact O-CB 3.28Å; C505-V509 WeakPolarHBondContact O-CB 3.21Å; C505-V509 WeakPolarHBondContact O-CG2 3.45Å; C505-V509 PolarHBondContact O-N 2.95Å; T506-V509 PolarHBondContact O-N 2.99Å; V509-S511 PolarHBondContact O-N 3.39Å; V509-S511 PolarHBondContact O-OG 3.46Å; V509-S511 VanDerWaalsContact O-OG 3.06Å
510	G	43.8	Very low	62.8	Low	71 Å²	71	62.5 Å²	62.5	73%	0.732	34%	0.337	S	S	*	.			trans	58.9	11.9	164.5	0	0	0	0	0	116	T506	T506-G510 PolarHBondContact O-N 3.21Å
511	S	57.5	Low	65	Low	66 Å²	66	59 Å²	59	46%	0.462	32%	0.315	S	S	.	.	S	Bend	trans	-169.9	150.8	-176.9	49.5	0	0	0	0	110.2	V509 F513	V509-S511 PolarHBondContact O-N 3.39Å; V509-S511 PolarHBondContact O-OG 3.46Å; V509-S511 VanDerWaalsContact O-OG 3.06Å; S511-F513 PolarHBondContact O-N 3.05Å
512	Y	64.9	Low	67.3	Low	124 Å²	124	57.9 Å²	57.9	49%	0.486	31%	0.308	S	S	.	.			trans	-51.6	132	169.7	-59	-64.9	0	0	0	110.4	E408 A409 F514	E408-Y512 HydrophobicContact CB-CD1 3.8Å; E408-Y512 HydrophobicContact CB-CD2 3.94Å; E408-Y512 HydrophobicContact CB-CE1 4.05Å; E408-Y512 HydrophobicContact CB-CE2 4.17Å; E408-Y512 HydrophobicContact CB-CG 3.74Å; E408-Y512 WeakPolarHBondContact O-CD1 3.37Å; E408-Y512 WeakPolarHBondContact OE2-CD2 3.33Å; E408-Y512 WeakPolarHBondContact OE2-CE2 3.44Å; A409-Y512 HydrophobicContact CB-CD1 4.49Å; A409-Y512 HydrophobicContact CB-CE1 3.84Å; Y512-F514 PolarHBondContact O-N 3.33Å
513	F	73.3	Confident	69.5	Low	27 Å²	27	54.5 Å²	54.5	12%	0.118	29%	0.29	C	S	.	.	S	Bend	trans	-66.8	-40	-170.6	-176.3	-91.5	0	0	0	112.4	P413 F464 R467 S511	P413-F513 HydrophobicContact CB-CE1 4.16Å; P413-F513 HydrophobicContact CB-CZ 4.45Å; P413-F513 HydrophobicContact CG-CD1 4.42Å; P413-F513 HydrophobicContact CG-CE1 4.31Å; P413-F513 HydrophobicContact CG-CZ 4.39Å; F464-F513 HydrophobicContact CD2-CE1 4.09Å; F464-F513 HydrophobicContact CD2-CZ 4.38Å; F464-F513 HydrophobicContact CE2-CD1 4.21Å; F464-F513 AromaticContact CE2-CE1 3.31Å; F464-F513 HydrophobicContact CE2-CE1 3.31Å; F464-F513 AromaticContact CE2-CZ 3.92Å; F464-F513 HydrophobicContact CE2-CZ 3.92Å; F464-F513 AromaticContact CZ-CE1 3.59Å; F464-F513 HydrophobicContact CZ-CE1 3.59Å; F464-F513 HydrophobicContact CZ-CZ 4.06Å; R467-F513 HydrophobicContact CB-CD2 4.45Å; R467-F513 HydrophobicContact CB-CE2 3.69Å; R467-F513 HydrophobicContact CB-CZ 4.31Å; S511-F513 PolarHBondContact O-N 3.05Å
514	F	80.8	Confident	71.6	Confident	8 Å²	8	51 Å²	51	4%	0.035	27%	0.269	C	S	.	.			trans	-99.3	124.3	176.4	-61.1	-79.7	0	0	0	110.1	L411 P413 L416 L440 Y459 F464 Y512 N516 D520	L411-F514 HydrophobicContact CB-CD2 4.28Å; L411-F514 HydrophobicContact CD2-CD2 3.78Å; L411-F514 HydrophobicContact CD2-CE2 4.12Å; L411-F514 HydrophobicContact CD2-CG 4.19Å; L411-F514 HydrophobicContact CG-CD2 3.82Å; L411-F514 HydrophobicContact CG-CE2 3.89Å; L411-F514 WeakPolarHBondContact O-CD2 3.45Å; L411-F514 WeakPolarHBondContact O-CE2 3.38Å; P413-F514 HydrophobicContact CB-CZ 4.5Å; L416-F514 HydrophobicContact CD2-CE1 4Å; L416-F514 HydrophobicContact CD2-CE2 4.36Å; L416-F514 HydrophobicContact CD2-CZ 3.63Å; L440-F514 HydrophobicContact CD1-CZ 4.41Å; Y459-F514 HydrophobicContact CE1-CE1 4.31Å; F464-F514 HydrophobicContact CE2-CD1 4.19Å; F464-F514 AromaticContact CE2-CE1 3.72Å; F464-F514 HydrophobicContact CE2-CE1 3.72Å; F464-F514 HydrophobicContact CZ-CE1 4.02Å; Y512-F514 PolarHBondContact O-N 3.33Å; F514-N516 PolarHBondContact O-N 3.35Å; F514-D520 HydrophobicContact CD1-CB 4.5Å; F514-D520 VanDerWaalsContact CD1-OD2 3.25Å; F514-D520 WeakPolarHBondContact CD1-OD2 3.38Å
515	E	78.3	Confident	73.8	Confident	135 Å²	135	48.4 Å²	48.4	63%	0.631	26%	0.256	S	S	*	.	S	Bend	trans	-66.5	-26.3	176	-65.6	176.7	-178.6	0	0	112.5
516	N	84.7	Confident	75.9	Confident	35 Å²	35	47.1 Å²	47.1	19%	0.187	25%	0.248	C	C	.	.			trans	-145.3	76.1	-175.9	-80.6	-69	0	0	0	111	F514 F518 N519 N617	F514-N516 PolarHBondContact O-N 3.35Å; N516-F518 VanDerWaalsContact C-N 3.28Å; N516-F518 PolarHBondContact O-N 3.07Å; N516-N519 HydrophobicContact CB-CB 4.25Å; N516-N519 VanDerWaalsContact CB-ND2 3.35Å; N516-N519 WeakPolarHBondContact CB-ND2 3.42Å; N516-N519 WeakPolarHBondContact O-CB 3.17Å; N516-N519 PolarHBondContact O-N 2.82Å; N516-N617 PolarHBondContact ND2-ND2 3.46Å; N516-N617 PolarHBondContact ND2-OD1 3.42Å
517	P	89.8	Confident	77.7	Confident	3 Å²	3	43.2 Å²	43.2	2%	0.019	22%	0.224	C	C	.	.	H	α-helix	trans	-60.1	-32.9	-171.4	24.2	-36.1	0	0	0	114	I407 E408 L411 N519 D520 L521	I407-P517 HydrophobicContact CB-CG 4.49Å; I407-P517 HydrophobicContact CG1-CB 4.2Å; I407-P517 HydrophobicContact CG1-CG 4.36Å; I407-P517 HydrophobicContact CG2-CB 4.39Å; I407-P517 HydrophobicContact CG2-CG 3.65Å; E408-P517 HydrophobicContact CG-CG 3.83Å; L411-P517 HydrophobicContact CB-CB 4.05Å; L411-P517 HydrophobicContact CD2-CB 3.52Å; L411-P517 HydrophobicContact CG-CB 4.43Å; P517-N519 VanDerWaalsContact C-N 3.27Å; P517-N519 PolarHBondContact O-N 3.33Å; P517-D520 PolarHBondContact O-N 3.04Å; P517-L521 PolarHBondContact O-N 3.41Å
518	F	92.3	Very high	79.6	Confident	39 Å²	39	37.1 Å²	37.1	17%	0.171	19%	0.191	C	C	.	.	H	α-helix	trans	-63.8	-29.1	175.6	-68.9	-68.1	0	0	0	113.3	L401 I407 N516 F522 M537 Q540	L401-F518 HydrophobicContact CD1-CE1 4.12Å; L401-F518 HydrophobicContact CD2-CE1 4.39Å; L401-F518 HydrophobicContact CD2-CZ 4.38Å; I407-F518 HydrophobicContact CB-CZ 4.2Å; I407-F518 HydrophobicContact CG1-CE1 4.31Å; I407-F518 HydrophobicContact CG1-CZ 4.45Å; I407-F518 HydrophobicContact CG2-CD2 4.16Å; I407-F518 HydrophobicContact CG2-CE1 4.22Å; I407-F518 HydrophobicContact CG2-CE2 3.52Å; I407-F518 HydrophobicContact CG2-CZ 3.56Å; N516-F518 VanDerWaalsContact C-N 3.28Å; N516-F518 PolarHBondContact O-N 3.07Å; F518-F522 WeakPolarHBondContact O-CB 3.44Å; F518-F522 PolarHBondContact O-N 3.18Å; F518-M537 HydrophobicContact CD1-SD 4.15Å; F518-Q540 HydrophobicContact CD1-CB 3.74Å; F518-Q540 HydrophobicContact CE1-CB 3.69Å; F518-Q540 HydrophobicContact CE1-CG 4.4Å; F518-Q540 HydrophobicContact CG-CB 4.23Å; F518-Q540 HydrophobicContact CZ-CB 4.11Å
519	N	92.2	Very high	81.3	Confident	8 Å²	8	28 Å²	28	4%	0.043	16%	0.157	C	C	.	.	H	α-helix	trans	-67.1	-42	175.3	-70.8	-16.6	0	0	0	110.9	N516 P517 F522 L523 K547 N617 W618	N516-N519 HydrophobicContact CB-CB 4.25Å; N516-N519 VanDerWaalsContact CB-ND2 3.35Å; N516-N519 WeakPolarHBondContact CB-ND2 3.42Å; N516-N519 WeakPolarHBondContact O-CB 3.17Å; N516-N519 PolarHBondContact O-N 2.82Å; P517-N519 VanDerWaalsContact C-N 3.27Å; P517-N519 PolarHBondContact O-N 3.33Å; N519-F522 PolarHBondContact O-N 2.97Å; N519-L523 WeakPolarHBondContact O-CG 3.41Å; N519-L523 PolarHBondContact O-N 2.85Å; N519-K547 WeakPolarHBondContact OD1-CE 3.46Å; N519-N617 PolarHBondContact ND2-ND2 3.19Å; N519-W618 HydrophobicContact CB-CZ2 4.19Å
520	D	91.7	Very high	83	Confident	12 Å²	12	25.9 Å²	25.9	6%	0.064	14%	0.144	C	C	.	.	H	α-helix	trans	-70.7	-42	-179.6	-64.5	-63.8	0	0	0	111.6	L411 L416 Y459 F514 P517 F522 L523 W524	L411-D520 HydrophobicContact CD2-CB 4.13Å; L416-D520 HydrophobicContact CD2-CB 4.18Å; Y459-D520 WeakPolarHBondContact CE1-OD1 3.18Å; Y459-D520 PolarHBondContact OH-OD1 3.07Å; F514-D520 HydrophobicContact CD1-CB 4.5Å; F514-D520 VanDerWaalsContact CD1-OD2 3.25Å; F514-D520 WeakPolarHBondContact CD1-OD2 3.38Å; P517-D520 PolarHBondContact O-N 3.04Å; D520-F522 VanDerWaalsContact C-N 3.35Å; D520-L523 PolarHBondContact O-N 2.61Å; D520-W524 PolarHBondContact O-N 3.39Å
521	L	93.2	Very high	85	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-66.5	-35.5	173	-72.6	167.1	0	0	0	112.6	L389 I407 L411 L419 P517 W524 A525 M537	L389-L521 HydrophobicContact CD1-CD2 4.3Å; I407-L521 HydrophobicContact CD1-CD1 3.7Å; I407-L521 HydrophobicContact CG1-CD1 3.89Å; L411-L521 HydrophobicContact CD1-CD1 4.42Å; L411-L521 HydrophobicContact CD1-CD2 3.92Å; L411-L521 HydrophobicContact CD1-CG 4.12Å; L411-L521 HydrophobicContact CD2-CD1 4.49Å; L411-L521 HydrophobicContact CD2-CG 4.19Å; L419-L521 HydrophobicContact CD1-CD2 3.89Å; P517-L521 PolarHBondContact O-N 3.41Å; L521-W524 HydrophobicContact CD2-CE3 4.32Å; L521-W524 PolarHBondContact O-N 3.16Å; L521-A525 WeakPolarHBondContact O-CB 3.15Å; L521-A525 PolarHBondContact O-N 3.13Å; L521-M537 HydrophobicContact CB-CG 4.2Å; L521-M537 HydrophobicContact CB-SD 3.94Å; L521-M537 HydrophobicContact CD1-SD 4.31Å
522	F	94.4	Very high	86.5	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-61.6	-46.5	171.3	171.4	-102.7	0	0	0	111.4	F518 N519 D520 W524 A525 V526 A534 M537 W538 K547 F588 W618	F518-F522 WeakPolarHBondContact O-CB 3.44Å; F518-F522 PolarHBondContact O-N 3.18Å; N519-F522 PolarHBondContact O-N 2.97Å; D520-F522 VanDerWaalsContact C-N 3.35Å; F522-W524 VanDerWaalsContact C-N 3.34Å; F522-W524 PolarHBondContact O-N 3.4Å; F522-A525 PolarHBondContact O-N 2.86Å; F522-V526 HydrophobicContact CD1-CG2 4.36Å; F522-V526 HydrophobicContact CD2-CG2 4.21Å; F522-V526 HydrophobicContact CE1-CG2 3.98Å; F522-V526 HydrophobicContact CE2-CG2 3.79Å; F522-V526 HydrophobicContact CG-CG2 4.48Å; F522-V526 HydrophobicContact CZ-CG2 3.67Å; F522-V526 WeakPolarHBondContact O-CB 3.49Å; F522-V526 WeakPolarHBondContact O-CG2 3.46Å; F522-V526 PolarHBondContact O-N 3.37Å; F522-A534 WeakPolarHBondContact CD2-O 3.48Å; F522-M537 HydrophobicContact CB-CB 4.03Å; F522-W538 HydrophobicContact CD2-CB 4.06Å; F522-W538 HydrophobicContact CE2-CB 3.94Å; F522-K547 HydrophobicContact CD1-CB 4.26Å; F522-K547 HydrophobicContact CD1-CG 4.32Å; F522-K547 HydrophobicContact CE1-CB 4.02Å; F522-K547 WeakPolarHBondContact CE1-O 3.48Å; F522-K547 HydrophobicContact CZ-CB 4.24Å; F522-K547 VanDerWaalsContact CZ-O 3.25Å; F522-K547 WeakPolarHBondContact CZ-O 3.38Å; F522-F588 AromaticContact CE2-CE1 3.73Å; F522-F588 HydrophobicContact CE2-CE1 3.73Å; F522-F588 AromaticContact CE2-CZ 3.72Å; F522-F588 HydrophobicContact CE2-CZ 3.72Å; F522-F588 AromaticContact CZ-CE1 3.98Å; F522-F588 HydrophobicContact CZ-CE1 3.98Å; F522-F588 HydrophobicContact CZ-CZ 4.24Å; F522-W618 HydrophobicContact CD1-CH2 4.31Å
523	L	92.4	Very high	87.7	Confident	4 Å²	4	20.5 Å²	20.5	2%	0.021	10%	0.102	C	C	.	.	H	α-helix	trans	-60.9	-42.4	176	-74.5	170.9	0	0	0	111.8	I447 N519 D520 V526 L527 V550 L554 W618	I447-L523 HydrophobicContact CD1-CD1 4.18Å; I447-L523 HydrophobicContact CD1-CD2 4.46Å; N519-L523 WeakPolarHBondContact O-CG 3.41Å; N519-L523 PolarHBondContact O-N 2.85Å; D520-L523 PolarHBondContact O-N 2.61Å; L523-V526 PolarHBondContact O-N 3.12Å; L523-L527 WeakPolarHBondContact O-CB 3.44Å; L523-L527 VanDerWaalsContact O-CG 3.31Å; L523-L527 WeakPolarHBondContact O-CG 3.31Å; L523-L527 PolarHBondContact O-N 3.32Å; L523-V550 HydrophobicContact CD2-CG1 4.42Å; L523-L554 HydrophobicContact CD2-CD1 3.64Å; L523-W618 HydrophobicContact CD1-CH2 4.48Å; L523-W618 HydrophobicContact CD1-CZ3 4.31Å; L523-W618 HydrophobicContact CD2-CH2 4.38Å; L523-W618 HydrophobicContact CD2-CZ3 4.1Å; L523-W618 HydrophobicContact CG-CH2 4.32Å; L523-W618 HydrophobicContact CG-CZ3 4.37Å
524	W	91.9	Very high	88.6	Confident	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-58.6	-49.9	174.7	163.7	77.7	0	0	0	112.1	L389 L416 L419 Y420 D520 L521 F522 V526 L527 T528 M533	L389-W524 HydrophobicContact CB-CH2 4.16Å; L389-W524 HydrophobicContact CD2-CH2 4.35Å; L389-W524 HydrophobicContact CD2-CZ3 4.02Å; L389-W524 WeakPolarHBondContact O-CH2 3.41Å; L416-W524 HydrophobicContact CD1-CB 4.26Å; L419-W524 VanDerWaalsContact C-NE1 3.25Å; L419-W524 HydrophobicContact CB-CD2 4.44Å; L419-W524 HydrophobicContact CB-CG 4.48Å; L419-W524 HydrophobicContact CB-CZ2 4.3Å; L419-W524 HydrophobicContact CD2-CZ2 4.05Å; L419-W524 PolarHBondContact O-NE1 2.94Å; Y420-W524 AromaticContact CD1-CD1 3.77Å; Y420-W524 HydrophobicContact CE1-CB 4.02Å; Y420-W524 AromaticContact CE1-CD1 3.93Å; Y420-W524 HydrophobicContact CE1-CG 4.39Å; Y420-W524 HydrophobicContact CE2-CB 4.1Å; Y420-W524 AromaticContact CG-CD1 3.92Å; Y420-W524 WeakPolarHBondContact OH-CA 3.41Å; Y420-W524 PolarHBondContact OH-N 3.28Å; D520-W524 PolarHBondContact O-N 3.39Å; L521-W524 HydrophobicContact CD2-CE3 4.32Å; L521-W524 PolarHBondContact O-N 3.16Å; F522-W524 VanDerWaalsContact C-N 3.34Å; F522-W524 PolarHBondContact O-N 3.4Å; W524-V526 VanDerWaalsContact C-N 3.32Å; W524-V526 PolarHBondContact O-N 2.96Å; W524-L527 PolarHBondContact O-N 3.48Å; W524-T528 WeakPolarHBondContact O-CB 3.28Å; W524-T528 WeakPolarHBondContact O-CG2 3.5Å; W524-T528 PolarHBondContact O-N 2.89Å; W524-T528 PolarHBondContact O-OG1 3.43Å; W524-M533 HydrophobicContact CH2-CG 4.46Å; W524-M533 HydrophobicContact CZ3-CG 3.81Å
525	A	91.4	Very high	89.1	Confident	1 Å²	1	19.9 Å²	19.9	1%	0.008	10%	0.101	C	C	.	.	H	α-helix	trans	-64.3	-36.7	-179.5	0	0	0	0	0	112.4	L521 F522 N529 R530 M533 A534	L521-A525 WeakPolarHBondContact O-CB 3.15Å; L521-A525 PolarHBondContact O-N 3.13Å; F522-A525 PolarHBondContact O-N 2.86Å; A525-N529 PolarHBondContact O-N 3.32Å; A525-R530 HydrophobicContact CB-CB 4.4Å; A525-R530 PolarHBondContact O-N 3.44Å; A525-M533 HydrophobicContact CB-CB 4.19Å; A525-M533 HydrophobicContact CB-CG 4.04Å; A525-A534 HydrophobicContact CB-CB 3.81Å
526	V	89.7	Confident	89.7	Confident	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-64.2	-48	175.5	169	0	0	0	0	110.9	F522 L523 W524 A534 L554 F555 M558	F522-V526 HydrophobicContact CD1-CG2 4.36Å; F522-V526 HydrophobicContact CD2-CG2 4.21Å; F522-V526 HydrophobicContact CE1-CG2 3.98Å; F522-V526 HydrophobicContact CE2-CG2 3.79Å; F522-V526 HydrophobicContact CG-CG2 4.48Å; F522-V526 HydrophobicContact CZ-CG2 3.67Å; F522-V526 WeakPolarHBondContact O-CB 3.49Å; F522-V526 WeakPolarHBondContact O-CG2 3.46Å; F522-V526 PolarHBondContact O-N 3.37Å; L523-V526 PolarHBondContact O-N 3.12Å; W524-V526 VanDerWaalsContact C-N 3.32Å; W524-V526 PolarHBondContact O-N 2.96Å; V526-A534 HydrophobicContact CG2-CB 4.17Å; V526-L554 HydrophobicContact CG1-CB 3.79Å; V526-L554 HydrophobicContact CG1-CD1 3.87Å; V526-F555 HydrophobicContact CB-CE1 4.37Å; V526-F555 HydrophobicContact CB-CZ 3.97Å; V526-F555 HydrophobicContact CG1-CD1 4.32Å; V526-F555 HydrophobicContact CG1-CE1 3.8Å; V526-F555 HydrophobicContact CG1-CE2 4.15Å; V526-F555 HydrophobicContact CG1-CZ 3.69Å; V526-F555 HydrophobicContact CG2-CE2 4Å; V526-F555 HydrophobicContact CG2-CZ 3.68Å; V526-M558 HydrophobicContact CG1-CE 3.81Å; V526-M558 WeakPolarHBondContact O-CE 3.2Å
527	L	88.1	Confident	90.1	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-73.6	-30.7	-175.6	-69.6	173.2	0	0	0	113.6	Y420 T429 L430 I443 I447 L450 L523 W524 N529 M558	Y420-L527 HydrophobicContact CE1-CB 4.33Å; Y420-L527 HydrophobicContact CE1-CD1 3.97Å; T429-L527 PolarHBondContact OG1-O 3.49Å; T429-L527 VanDerWaalsContact OG1-O 3.09Å; L430-L527 HydrophobicContact CD1-CB 4.18Å; L430-L527 HydrophobicContact CD2-CB 4.22Å; L430-L527 HydrophobicContact CG-CB 4.38Å; I443-L527 HydrophobicContact CG2-CD1 4Å; I447-L527 HydrophobicContact CD1-CD1 4.24Å; I447-L527 HydrophobicContact CG1-CD1 4.05Å; L450-L527 HydrophobicContact CD1-CD2 3.9Å; L523-L527 WeakPolarHBondContact O-CB 3.44Å; L523-L527 VanDerWaalsContact O-CG 3.31Å; L523-L527 WeakPolarHBondContact O-CG 3.31Å; L523-L527 PolarHBondContact O-N 3.32Å; W524-L527 PolarHBondContact O-N 3.48Å; L527-N529 VanDerWaalsContact C-N 3.34Å; L527-M558 HydrophobicContact CD2-SD 4.15Å
528	T	84.6	Confident	90.3	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	4.7	178.5	56.6	0	0	0	0	114.2	L430 W524 R530	L430-T528 HydrophobicContact CD1-CG2 3.88Å; W524-T528 WeakPolarHBondContact O-CB 3.28Å; W524-T528 WeakPolarHBondContact O-CG2 3.5Å; W524-T528 PolarHBondContact O-N 2.89Å; W524-T528 PolarHBondContact O-OG1 3.43Å; T528-R530 PolarHBondContact O-N 3.32Å
529	N	81.7	Confident	90.2	Very high	9 Å²	9	19.7 Å²	19.7	5%	0.048	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.4	32	179.7	-161.9	28.3	0	0	0	114.5	T429 A525 L527 L531 R577 F581	T429-N529 HydrophobicContact CG2-CB 4.17Å; A525-N529 PolarHBondContact O-N 3.32Å; L527-N529 VanDerWaalsContact C-N 3.34Å; N529-L531 PolarHBondContact O-N 2.98Å; N529-L531 WeakPolarHBondContact OD1-CD2 3.14Å; N529-R577 PolarHBondContact ND2-O 3.12Å; N529-F581 HydrophobicContact CB-CE1 3.98Å; N529-F581 HydrophobicContact CB-CZ 4.04Å; N529-F581 VanDerWaalsContact OD1-CE1 3.26Å; N529-F581 WeakPolarHBondContact OD1-CE1 3.46Å
530	R	87	Confident	90.1	Very high	1 Å²	1	21.3 Å²	21.3	0%	0.004	10%	0.098	C	C	.	.			trans	-94.7	90.7	177.4	-65.1	178.6	-170.1	-111.1	-4.6	110.8	L389 M390 K424 P426 A525 T528 M533 A534	L389-R530 PolarHBondContact O-NH1 3.43Å; L389-R530 VanDerWaalsContact O-NH1 3.15Å; M390-R530 PolarHBondContact O-NH1 2.97Å; K424-R530 PolarHBondContact O-NH2 3Å; P426-R530 HydrophobicContact CG-CG 3.73Å; A525-R530 HydrophobicContact CB-CB 4.4Å; A525-R530 PolarHBondContact O-N 3.44Å; T528-R530 PolarHBondContact O-N 3.32Å; R530-M533 HydrophobicContact CB-CB 3.85Å; R530-A534 WeakPolarHBondContact O-CB 3.28Å; R530-A534 PolarHBondContact O-N 3.24Å
531	L	84.4	Confident	89.7	Confident	36 Å²	36	22.4 Å²	22.4	19%	0.188	11%	0.113	C	C	.	.	H	α-helix	trans	-66.9	-54.6	-162.8	-46.7	-176.1	0	0	0	113.5	N529 M533 A534 V535 N580 L584	N529-L531 PolarHBondContact O-N 2.98Å; N529-L531 WeakPolarHBondContact OD1-CD2 3.14Å; L531-M533 VanDerWaalsContact C-N 3.29Å; L531-M533 PolarHBondContact O-N 3.07Å; L531-A534 PolarHBondContact O-N 2.87Å; L531-V535 WeakPolarHBondContact O-CG2 3.38Å; L531-V535 PolarHBondContact O-N 3.16Å; L531-V535 VanDerWaalsContact O-N 3.13Å; L531-N580 HydrophobicContact CD1-CB 3.77Å; L531-N580 HydrophobicContact CD2-CB 3.94Å; L531-N580 HydrophobicContact CG-CB 4.44Å; L531-L584 HydrophobicContact CB-CD1 3.89Å; L531-L584 HydrophobicContact CB-CD2 3.89Å; L531-L584 HydrophobicContact CB-CG 4.4Å; L531-L584 HydrophobicContact CD1-CD1 3.58Å; L531-L584 HydrophobicContact CD2-CD1 3.54Å; L531-L584 HydrophobicContact CD2-CD2 3.35Å; L531-L584 HydrophobicContact CD2-CG 4.02Å; L531-L584 HydrophobicContact CG-CD1 3.8Å; L531-L584 HydrophobicContact CG-CD2 4.11Å
532	N	88.9	Confident	89.5	Confident	112 Å²	112	27.4 Å²	27.4	60%	0.599	14%	0.139	S	C	*	.	H	α-helix	trans	-72.5	-30.1	-175.4	-65.4	-27.3	0	0	0	110.3	I394 V535 C536	I394-N532 HydrophobicContact CD1-CB 3.18Å; I394-N532 HydrophobicContact CG1-CB 4.45Å; N532-V535 WeakPolarHBondContact O-CB 3.15Å; N532-V535 PolarHBondContact O-N 3.42Å; N532-C536 PolarHBondContact O-N 3.4Å
533	M	91.5	Very high	89.3	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-64.3	-45.2	170.6	-168.6	62.2	75.4	0	0	112	L389 I394 V397 W524 A525 R530 L531 V535 C536 M537	L389-M533 HydrophobicContact CD2-CE 4.17Å; L389-M533 HydrophobicContact CD2-SD 4.1Å; I394-M533 HydrophobicContact CB-CE 4.45Å; I394-M533 HydrophobicContact CG1-CB 4.18Å; I394-M533 HydrophobicContact CG1-CE 3.6Å; I394-M533 HydrophobicContact CG1-SD 4.08Å; V397-M533 HydrophobicContact CG2-CE 3.97Å; V397-M533 HydrophobicContact CG2-SD 4.5Å; W524-M533 HydrophobicContact CH2-CG 4.46Å; W524-M533 HydrophobicContact CZ3-CG 3.81Å; A525-M533 HydrophobicContact CB-CB 4.19Å; A525-M533 HydrophobicContact CB-CG 4.04Å; R530-M533 HydrophobicContact CB-CB 3.85Å; L531-M533 VanDerWaalsContact C-N 3.29Å; L531-M533 PolarHBondContact O-N 3.07Å; M533-V535 PolarHBondContact O-N 3.49Å; M533-C536 WeakPolarHBondContact O-CB 3.13Å; M533-C536 PolarHBondContact O-N 3.36Å; M533-M537 HydrophobicContact CG-CE 4.37Å; M533-M537 HydrophobicContact CG-CG 4.45Å; M533-M537 WeakPolarHBondContact O-CG 3.36Å; M533-M537 PolarHBondContact O-N 3.32Å; M533-M537 HydrophobicContact SD-CE 3.54Å; M533-M537 VanDerWaalsContact SD-CE 3.54Å
534	A	91	Very high	89.3	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-61	-35.7	175.8	0	0	0	0	0	111.8	F522 A525 V526 R530 L531 W538	F522-A534 WeakPolarHBondContact CD2-O 3.48Å; A525-A534 HydrophobicContact CB-CB 3.81Å; V526-A534 HydrophobicContact CG2-CB 4.17Å; R530-A534 WeakPolarHBondContact O-CB 3.28Å; R530-A534 PolarHBondContact O-N 3.24Å; L531-A534 PolarHBondContact O-N 2.87Å; A534-W538 WeakPolarHBondContact O-CB 3.23Å; A534-W538 PolarHBondContact O-N 3.49Å
535	V	91.6	Very high	89.4	Confident	23 Å²	23	32.2 Å²	32.2	14%	0.139	17%	0.167	C	C	.	.	H	α-helix	trans	-65.9	-41.8	172.9	163.9	0	0	0	0	111.9	L531 N532 M533 W538 R539 R591	L531-V535 WeakPolarHBondContact O-CG2 3.38Å; L531-V535 PolarHBondContact O-N 3.16Å; L531-V535 VanDerWaalsContact O-N 3.13Å; N532-V535 WeakPolarHBondContact O-CB 3.15Å; N532-V535 PolarHBondContact O-N 3.42Å; M533-V535 PolarHBondContact O-N 3.49Å; V535-W538 PolarHBondContact O-N 3.03Å; V535-R539 WeakPolarHBondContact O-CG 3.43Å; V535-R539 PolarHBondContact O-N 3.27Å; V535-R591 VanDerWaalsContact CG1-NH1 3.27Å; V535-R591 VanDerWaalsContact CG1-NH2 3.33Å
536	C	91.5	Very high	89.4	Confident	2 Å²	2	32.2 Å²	32.2	1%	0.014	17%	0.167	C	C	.	.	H	α-helix	trans	-61.9	-52.4	176.7	-172.9	0	0	0	0	111.2	I394 Q398 N532 M533 W538 R539 Q540	I394-C536 HydrophobicContact CG2-CB 3.86Å; Q398-C536 WeakPolarHBondContact CG-SG 3.43Å; Q398-C536 PolarHBondContact NE2-SG 3.29Å; Q398-C536 VanDerWaalsContact NE2-SG 3.43Å; N532-C536 PolarHBondContact O-N 3.4Å; M533-C536 WeakPolarHBondContact O-CB 3.13Å; M533-C536 PolarHBondContact O-N 3.36Å; C536-W538 PolarHBondContact O-N 3.21Å; C536-R539 WeakPolarHBondContact O-CB 3.26Å; C536-R539 PolarHBondContact O-N 3.21Å; C536-R539 VanDerWaalsContact O-N 3.09Å; C536-Q540 PolarHBondContact O-N 3.18Å
537	M	93.1	Very high	89.6	Confident	2 Å²	2	32.2 Å²	32.2	1%	0.01	17%	0.167	C	C	.	.	H	α-helix	trans	-65.6	-27.2	179.2	-61	-60	163.5	0	0	112.7	L389 V397 F518 L521 F522 M533	L389-M537 HydrophobicContact CD2-CE 3.78Å; V397-M537 HydrophobicContact CG1-CE 3.73Å; F518-M537 HydrophobicContact CD1-SD 4.15Å; L521-M537 HydrophobicContact CB-CG 4.2Å; L521-M537 HydrophobicContact CB-SD 3.94Å; L521-M537 HydrophobicContact CD1-SD 4.31Å; F522-M537 HydrophobicContact CB-CB 4.03Å; M533-M537 HydrophobicContact CG-CE 4.37Å; M533-M537 HydrophobicContact CG-CG 4.45Å; M533-M537 WeakPolarHBondContact O-CG 3.36Å; M533-M537 PolarHBondContact O-N 3.32Å; M533-M537 HydrophobicContact SD-CE 3.54Å; M533-M537 VanDerWaalsContact SD-CE 3.54Å
538	W	93.5	Very high	89.9	Confident	31 Å²	31	32.2 Å²	32.2	12%	0.117	17%	0.167	C	C	.	.	H	α-helix	trans	-68.9	-36.5	173	175.9	75.3	0	0	0	113	F522 A534 V535 C536 Q540 P544 A548 F588 R591 L595	F522-W538 HydrophobicContact CD2-CB 4.06Å; F522-W538 HydrophobicContact CE2-CB 3.94Å; A534-W538 WeakPolarHBondContact O-CB 3.23Å; A534-W538 PolarHBondContact O-N 3.49Å; V535-W538 PolarHBondContact O-N 3.03Å; C536-W538 PolarHBondContact O-N 3.21Å; W538-Q540 VanDerWaalsContact C-N 3.26Å; W538-Q540 PolarHBondContact O-N 2.86Å; W538-P544 HydrophobicContact CZ2-CB 4.39Å; W538-P544 PolarHBondContact NE1-O 3.31Å; W538-A548 HydrophobicContact CZ2-CB 4.29Å; W538-F588 HydrophobicContact CB-CE1 4.04Å; W538-F588 HydrophobicContact CB-CZ 4.39Å; W538-F588 AromaticContact CD1-CE1 3.81Å; W538-F588 HydrophobicContact CD2-CE1 4.37Å; W538-F588 AromaticContact CG-CE1 3.78Å; W538-F588 HydrophobicContact CG-CE1 3.78Å; W538-R591 HydrophobicContact CH2-CB 4.02Å; W538-R591 HydrophobicContact CH2-CG 4.34Å; W538-R591 HydrophobicContact CZ2-CB 4.14Å; W538-L595 HydrophobicContact CZ2-CD2 4.38Å
539	R	91.4	Very high	90.4	Very high	172 Å²	172	32.3 Å²	32.3	65%	0.649	17%	0.167	S	C	*	.	H	α-helix	trans	-70.9	-25	178.3	-72.4	176.8	177.1	177.6	-0.9	112.3	V535 C536	V535-R539 WeakPolarHBondContact O-CG 3.43Å; V535-R539 PolarHBondContact O-N 3.27Å; C536-R539 WeakPolarHBondContact O-CB 3.26Å; C536-R539 PolarHBondContact O-N 3.21Å; C536-R539 VanDerWaalsContact O-N 3.09Å
540	Q	88.7	Confident	91	Very high	42 Å²	42	31.9 Å²	31.9	20%	0.196	17%	0.165	C	C	.	.	S	Bend	trans	-99	150.6	-177.6	-66.9	171.3	-15.3	0	0	111.5	L401 F518 C536 W538 K547	L401-Q540 VanDerWaalsContact CD1-NE2 3.27Å; F518-Q540 HydrophobicContact CD1-CB 3.74Å; F518-Q540 HydrophobicContact CE1-CB 3.69Å; F518-Q540 HydrophobicContact CE1-CG 4.4Å; F518-Q540 HydrophobicContact CG-CB 4.23Å; F518-Q540 HydrophobicContact CZ-CB 4.11Å; C536-Q540 PolarHBondContact O-N 3.18Å; W538-Q540 VanDerWaalsContact C-N 3.26Å; W538-Q540 PolarHBondContact O-N 2.86Å; Q540-K547 PolarHBondContact O-NZ 3.3Å
541	G	84.2	Confident	91.3	Very high	36 Å²	36	31.9 Å²	31.9	37%	0.371	17%	0.165	S	C	.	.	S	Bend	trans	72.7	-175.6	177.8	0	0	0	0	0	115.4	K547	G541-K547 VanDerWaalsContact C-NZ 3.31Å; G541-K547 PolarHBondContact O-NZ 3.36Å
542	D	87.9	Confident	91.7	Very high	105 Å²	105	30.9 Å²	30.9	56%	0.561	16%	0.159	S	C	*	.	S	Bend	trans	-79.9	168.6	-169.5	-64.8	-25	0	0	0	114.4	K547	D542-K547 WeakPolarHBondContact O-CE 3.37Å; D542-K547 PolarHBondContact O-NZ 3.24Å
543	E	89.8	Confident	91.9	Very high	41 Å²	41	26.3 Å²	26.3	19%	0.192	13%	0.133	C	C	.	.			trans	54.7	48.6	173.2	-52.4	177.6	139.5	0	0	115.5	L545 A546 K547 L615 N617 W618	E543-L545 PolarHBondContact O-N 3.24Å; E543-A546 HydrophobicContact CB-CB 4.05Å; E543-A546 PolarHBondContact O-N 3.05Å; E543-K547 PolarHBondContact O-N 3.35Å; E543-L615 HydrophobicContact CG-CD2 4.19Å; E543-L615 WeakPolarHBondContact OE1-CD2 3.48Å; E543-N617 PolarHBondContact OE2-ND2 2.9Å; E543-W618 PolarHBondContact OE2-NE1 3.47Å
544	P	93.4	Very high	91.9	Very high	52 Å²	52	26.3 Å²	26.3	34%	0.338	13%	0.133	S	C	.	.	H	α-helix	trans	-60.2	-32.7	-177.6	24.5	-34.6	0	0	0	113.1	W538 A548 L595	W538-P544 HydrophobicContact CZ2-CB 4.39Å; W538-P544 PolarHBondContact NE1-O 3.31Å; P544-A548 WeakPolarHBondContact O-CB 3.49Å; P544-A548 PolarHBondContact O-N 3.17Å; P544-L595 HydrophobicContact CB-CD2 4.05Å; P544-L595 HydrophobicContact CG-CD2 4.08Å
545	L	93.1	Very high	91.9	Very high	12 Å²	12	26.3 Å²	26.3	6%	0.063	13%	0.133	C	C	.	.	H	α-helix	trans	-63.6	-43.7	176.3	-170.2	66.2	0	0	0	111.8	E543 A548 L549 L595 L596 V610 L611 C623 F635	E543-L545 PolarHBondContact O-N 3.24Å; L545-A548 PolarHBondContact O-N 2.78Å; L545-L549 WeakPolarHBondContact O-CG 3.08Å; L545-L549 PolarHBondContact O-N 3.17Å; L545-L595 HydrophobicContact CB-CD2 3.92Å; L545-L595 HydrophobicContact CD1-CB 4.41Å; L545-L595 HydrophobicContact CD1-CD2 4Å; L545-L595 HydrophobicContact CD1-CG 4.34Å; L545-L596 HydrophobicContact CD1-CB 4.46Å; L545-V610 HydrophobicContact CD2-CG1 4.12Å; L545-L611 HydrophobicContact CD2-CD2 4.31Å; L545-C623 HydrophobicContact CD2-CB 4.32Å; L545-F635 HydrophobicContact CD1-CE2 3.81Å; L545-F635 HydrophobicContact CD1-CZ 4.07Å; L545-F635 HydrophobicContact CD2-CZ 4.38Å; L545-F635 HydrophobicContact CG-CZ 4.38Å
546	A	92.8	Very high	91.9	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.008	13%	0.134	C	C	.	.	H	α-helix	trans	-68.5	-45.9	178.2	0	0	0	0	0	111.2	E543 A548 L549 V550 L615 W618 L626	E543-A546 HydrophobicContact CB-CB 4.05Å; E543-A546 PolarHBondContact O-N 3.05Å; A546-A548 VanDerWaalsContact C-N 3.25Å; A546-A548 PolarHBondContact O-N 3.43Å; A546-L549 PolarHBondContact O-N 2.7Å; A546-L549 VanDerWaalsContact O-N 3.17Å; A546-V550 WeakPolarHBondContact O-CG2 3.26Å; A546-V550 PolarHBondContact O-N 3.23Å; A546-L615 HydrophobicContact CB-CD1 3.57Å; A546-L615 HydrophobicContact CB-CD2 4.14Å; A546-W618 HydrophobicContact CB-CG 4.2Å; A546-L626 HydrophobicContact CB-CD1 4.2Å
547	K	94.2	Very high	91.7	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-54.4	-42.7	173.9	-68.3	172.4	177.5	159.4	0	111.5	N519 F522 Q540 G541 D542 E543 L549 V550 G551 W618	N519-K547 WeakPolarHBondContact OD1-CE 3.46Å; F522-K547 HydrophobicContact CD1-CB 4.26Å; F522-K547 HydrophobicContact CD1-CG 4.32Å; F522-K547 HydrophobicContact CE1-CB 4.02Å; F522-K547 WeakPolarHBondContact CE1-O 3.48Å; F522-K547 HydrophobicContact CZ-CB 4.24Å; F522-K547 VanDerWaalsContact CZ-O 3.25Å; F522-K547 WeakPolarHBondContact CZ-O 3.38Å; Q540-K547 PolarHBondContact O-NZ 3.3Å; G541-K547 VanDerWaalsContact C-NZ 3.31Å; G541-K547 PolarHBondContact O-NZ 3.36Å; D542-K547 WeakPolarHBondContact O-CE 3.37Å; D542-K547 PolarHBondContact O-NZ 3.24Å; E543-K547 PolarHBondContact O-N 3.35Å; K547-L549 PolarHBondContact O-N 3.06Å; K547-V550 PolarHBondContact O-N 3.21Å; K547-G551 PolarHBondContact O-N 3.23Å; K547-W618 HydrophobicContact CG-CZ2 3.77Å
548	A	94.6	Very high	91.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-64	-42.8	179.8	0	0	0	0	0	112.6	W538 P544 L545 A546 Y552 F588	W538-A548 HydrophobicContact CZ2-CB 4.29Å; P544-A548 WeakPolarHBondContact O-CB 3.49Å; P544-A548 PolarHBondContact O-N 3.17Å; L545-A548 PolarHBondContact O-N 2.78Å; A546-A548 VanDerWaalsContact C-N 3.25Å; A546-A548 PolarHBondContact O-N 3.43Å; A548-Y552 WeakPolarHBondContact O-CB 3.43Å; A548-Y552 PolarHBondContact O-N 3.47Å; A548-F588 HydrophobicContact CB-CD1 4.36Å
549	L	93.9	Very high	90.9	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-69.1	-41.4	178.8	-68.8	173.7	0	0	0	112.1	L545 A546 K547 Y552 K553 C623 L626 A627 F635	L545-L549 WeakPolarHBondContact O-CG 3.08Å; L545-L549 PolarHBondContact O-N 3.17Å; A546-L549 PolarHBondContact O-N 2.7Å; A546-L549 VanDerWaalsContact O-N 3.17Å; K547-L549 PolarHBondContact O-N 3.06Å; L549-Y552 PolarHBondContact O-N 3.49Å; L549-K553 PolarHBondContact O-N 2.84Å; L549-C623 HydrophobicContact CD1-CB 4.19Å; L549-C623 VanDerWaalsContact CD1-O 3.25Å; L549-C623 WeakPolarHBondContact CD1-O 3.06Å; L549-L626 HydrophobicContact CB-CB 4.13Å; L549-L626 HydrophobicContact CD1-CB 4.19Å; L549-A627 HydrophobicContact CD1-CB 4.18Å; L549-A627 HydrophobicContact CD2-CB 3.92Å; L549-F635 HydrophobicContact CD1-CE1 4.19Å; L549-F635 HydrophobicContact CD1-CE2 4.35Å; L549-F635 HydrophobicContact CD1-CZ 3.93Å; L549-F635 HydrophobicContact CD2-CD1 4.42Å; L549-F635 HydrophobicContact CD2-CD2 3.96Å; L549-F635 HydrophobicContact CD2-CE2 4.04Å; L549-F635 HydrophobicContact CD2-CG 4.14Å; L549-F635 HydrophobicContact CD2-CZ 4.31Å; L549-F635 HydrophobicContact CG-CE2 4.49Å
550	V	93.5	Very high	90.5	Very high	1 Å²	1	22 Å²	22	1%	0.006	12%	0.12	C	C	.	.	H	α-helix	trans	-66.6	-46	176.3	174.5	0	0	0	0	110.6	M451 L523 A546 K547 Y552 K553 L554 W618 L626	M451-V550 HydrophobicContact CE-CB 4.35Å; M451-V550 HydrophobicContact CE-CG1 3.96Å; M451-V550 HydrophobicContact CE-CG2 3.95Å; M451-V550 HydrophobicContact SD-CG1 3.9Å; L523-V550 HydrophobicContact CD2-CG1 4.42Å; A546-V550 WeakPolarHBondContact O-CG2 3.26Å; A546-V550 PolarHBondContact O-N 3.23Å; K547-V550 PolarHBondContact O-N 3.21Å; V550-Y552 VanDerWaalsContact C-N 3.34Å; V550-Y552 PolarHBondContact O-N 3.05Å; V550-K553 PolarHBondContact O-N 2.99Å; V550-K553 VanDerWaalsContact O-N 3.15Å; V550-L554 HydrophobicContact CG1-CD1 3.79Å; V550-L554 HydrophobicContact CG1-CG 4.14Å; V550-L554 WeakPolarHBondContact O-CG 3.2Å; V550-L554 PolarHBondContact O-N 3.15Å; V550-W618 HydrophobicContact CB-CE3 4Å; V550-W618 HydrophobicContact CB-CH2 4.36Å; V550-W618 HydrophobicContact CB-CZ3 3.84Å; V550-W618 HydrophobicContact CG1-CE3 3.94Å; V550-W618 HydrophobicContact CG1-CH2 4.27Å; V550-W618 HydrophobicContact CG1-CZ3 3.51Å; V550-W618 HydrophobicContact CG2-CD2 3.82Å; V550-W618 HydrophobicContact CG2-CE3 3.35Å; V550-W618 HydrophobicContact CG2-CG 4.44Å; V550-W618 HydrophobicContact CG2-CH2 4.48Å; V550-W618 HydrophobicContact CG2-CZ3 3.75Å; V550-L626 HydrophobicContact CG2-CD1 4.03Å; V550-L626 HydrophobicContact CG2-CD2 4.26Å
551	G	93.5	Very high	90	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-54.7	-49.1	173	0	0	0	0	0	111.7	K547 K553 L554 F555	K547-G551 PolarHBondContact O-N 3.23Å; G551-K553 VanDerWaalsContact C-N 3.34Å; G551-K553 PolarHBondContact O-N 3.48Å; G551-L554 PolarHBondContact O-N 3.49Å; G551-F555 WeakPolarHBondContact O-CB 3.46Å; G551-F555 WeakPolarHBondContact O-CD2 3.44Å; G551-F555 WeakPolarHBondContact O-CG 3Å; G551-F555 PolarHBondContact O-N 2.9Å
552	Y	94.1	Very high	89.6	Confident	16 Å²	16	21.4 Å²	21.4	6%	0.063	11%	0.108	C	C	.	.	H	α-helix	trans	-55.6	-45.1	175.7	166.3	-106.9	0	0	0	113	A548 L549 V550 K556 R585 R589 G630 N631 N632	A548-Y552 WeakPolarHBondContact O-CB 3.43Å; A548-Y552 PolarHBondContact O-N 3.47Å; L549-Y552 PolarHBondContact O-N 3.49Å; V550-Y552 VanDerWaalsContact C-N 3.34Å; V550-Y552 PolarHBondContact O-N 3.05Å; Y552-K556 VanDerWaalsContact O-CB 3.26Å; Y552-K556 WeakPolarHBondContact O-CB 3.15Å; Y552-K556 PolarHBondContact O-N 3.17Å; Y552-K556 VanDerWaalsContact O-N 3.09Å; Y552-R585 HydrophobicContact CD2-CG 3.64Å; Y552-R585 WeakPolarHBondContact CD2-O 3.14Å; Y552-R585 HydrophobicContact CE2-CG 3.58Å; Y552-R589 HydrophobicContact CD2-CB 3.75Å; Y552-R589 HydrophobicContact CD2-CG 4.42Å; Y552-R589 HydrophobicContact CE2-CB 3.96Å; Y552-R589 HydrophobicContact CE2-CG 4.24Å; Y552-G630 WeakPolarHBondContact CE1-O 3.3Å; Y552-G630 PolarHBondContact OH-O 2.89Å; Y552-N631 PolarHBondContact OH-O 3.31Å; Y552-N632 HydrophobicContact CD1-CB 4.1Å; Y552-N632 HydrophobicContact CE1-CB 3.58Å
553	K	92.8	Very high	89	Confident	15 Å²	15	20.1 Å²	20.1	7%	0.065	10%	0.101	C	C	.	.	H	α-helix	trans	-66.3	-47.5	178	172.2	56.3	174.6	-178	0	111.6	L450 M451 L549 V550 G551 K556 S557 L629 D1088	L450-K553 WeakPolarHBondContact O-CE 3.31Å; M451-K553 HydrophobicContact CE-CG 4.31Å; M451-K553 WeakPolarHBondContact O-CE 3.46Å; M451-K553 HydrophobicContact SD-CB 4.03Å; M451-K553 HydrophobicContact SD-CG 3.55Å; M451-K553 VanDerWaalsContact SD-CG 3.55Å; L549-K553 PolarHBondContact O-N 2.84Å; V550-K553 PolarHBondContact O-N 2.99Å; V550-K553 VanDerWaalsContact O-N 3.15Å; G551-K553 VanDerWaalsContact C-N 3.34Å; G551-K553 PolarHBondContact O-N 3.48Å; K553-K556 WeakPolarHBondContact O-CB 3.43Å; K553-K556 PolarHBondContact O-N 2.93Å; K553-S557 PolarHBondContact O-N 2.6Å; K553-S557 PolarHBondContact O-OG 3.48Å; K553-L629 PolarHBondContact NZ-O 3.26Å; K553-D1088 IonicContact NZ-OD2 3.27Å; K553-D1088 PolarHBondContact NZ-OD2 2.85Å
554	L	92.3	Very high	88.2	Confident	0 Å²	0	22 Å²	22	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-60.5	-49.1	179.2	-71.9	175.1	0	0	0	111.6	L450 M451 L523 V526 V550 G551 K556 S557 M558	L450-L554 HydrophobicContact CB-CD2 3.83Å; L450-L554 HydrophobicContact CD1-CD2 4.29Å; M451-L554 HydrophobicContact CG-CD2 3.95Å; M451-L554 HydrophobicContact SD-CD2 3.92Å; M451-L554 HydrophobicContact SD-CG 3.98Å; L523-L554 HydrophobicContact CD2-CD1 3.64Å; V526-L554 HydrophobicContact CG1-CB 3.79Å; V526-L554 HydrophobicContact CG1-CD1 3.87Å; V550-L554 HydrophobicContact CG1-CD1 3.79Å; V550-L554 HydrophobicContact CG1-CG 4.14Å; V550-L554 WeakPolarHBondContact O-CG 3.2Å; V550-L554 PolarHBondContact O-N 3.15Å; G551-L554 PolarHBondContact O-N 3.49Å; L554-K556 VanDerWaalsContact C-N 3.26Å; L554-K556 PolarHBondContact O-N 3.48Å; L554-S557 PolarHBondContact O-N 3.12Å; L554-S557 VanDerWaalsContact O-N 3.15Å; L554-M558 HydrophobicContact CB-CE 4.49Å; L554-M558 WeakPolarHBondContact O-CG 3.37Å; L554-M558 PolarHBondContact O-N 3.4Å
555	F	91.1	Very high	87.1	Confident	1 Å²	1	23.3 Å²	23.3	0%	0.004	12%	0.122	C	C	.	.	H	α-helix	trans	-60.8	-35.8	176.5	-70	-54.2	0	0	0	112.6	V526 G551 M558 A559 F581 L584 R585 F588	V526-F555 HydrophobicContact CB-CE1 4.37Å; V526-F555 HydrophobicContact CB-CZ 3.97Å; V526-F555 HydrophobicContact CG1-CD1 4.32Å; V526-F555 HydrophobicContact CG1-CE1 3.8Å; V526-F555 HydrophobicContact CG1-CE2 4.15Å; V526-F555 HydrophobicContact CG1-CZ 3.69Å; V526-F555 HydrophobicContact CG2-CE2 4Å; V526-F555 HydrophobicContact CG2-CZ 3.68Å; G551-F555 WeakPolarHBondContact O-CB 3.46Å; G551-F555 WeakPolarHBondContact O-CD2 3.44Å; G551-F555 WeakPolarHBondContact O-CG 3Å; G551-F555 PolarHBondContact O-N 2.9Å; F555-M558 HydrophobicContact CD1-CE 3.43Å; F555-M558 VanDerWaalsContact CD1-CE 3.43Å; F555-M558 HydrophobicContact CE1-CE 3.81Å; F555-M558 HydrophobicContact CG-CE 4.29Å; F555-A559 VanDerWaalsContact O-CB 3.26Å; F555-A559 WeakPolarHBondContact O-CB 3.25Å; F555-A559 PolarHBondContact O-N 2.92Å; F555-F581 AromaticContact CD1-CD1 3.74Å; F555-F581 HydrophobicContact CD1-CD1 3.74Å; F555-F581 HydrophobicContact CD1-CE1 4.35Å; F555-F581 HydrophobicContact CE1-CD1 4.16Å; F555-F581 HydrophobicContact CE1-CE1 4.45Å; F555-L584 HydrophobicContact CD1-CB 4.07Å; F555-L584 HydrophobicContact CD1-CD2 4.34Å; F555-L584 HydrophobicContact CD2-CB 3.87Å; F555-L584 HydrophobicContact CE1-CB 4.13Å; F555-L584 HydrophobicContact CE1-CD2 3.58Å; F555-L584 HydrophobicContact CE2-CB 3.97Å; F555-L584 HydrophobicContact CE2-CD2 3.84Å; F555-L584 HydrophobicContact CE2-CG 4.45Å; F555-L584 HydrophobicContact CG-CB 3.97Å; F555-L584 HydrophobicContact CZ-CB 4.09Å; F555-L584 HydrophobicContact CZ-CD2 3.29Å; F555-L584 HydrophobicContact CZ-CG 4.3Å; F555-R585 HydrophobicContact CB-CB 4.04Å; F555-F588 AromaticContact CD2-CD2 3.77Å; F555-F588 HydrophobicContact CD2-CD2 3.77Å; F555-F588 HydrophobicContact CD2-CE2 4.26Å; F555-F588 HydrophobicContact CD2-CG 4.48Å; F555-F588 AromaticContact CE2-CD2 3.39Å; F555-F588 HydrophobicContact CE2-CD2 3.39Å; F555-F588 AromaticContact CE2-CE2 3.41Å; F555-F588 HydrophobicContact CE2-CE2 3.41Å; F555-F588 VanDerWaalsContact CE2-CE2 3.41Å; F555-F588 HydrophobicContact CE2-CG 4.31Å; F555-F588 HydrophobicContact CE2-CZ 4.32Å; F555-F588 HydrophobicContact CZ-CD2 4.47Å; F555-F588 HydrophobicContact CZ-CE2 4.16Å
556	K	90.3	Very high	85.8	Confident	34 Å²	34	27.2 Å²	27.2	15%	0.148	14%	0.137	C	C	.	.	H	α-helix	trans	-66.6	-42	175.2	-178.9	176.4	176.7	173.8	0	112.4	Y552 K553 L554 K560 R585 G630	Y552-K556 VanDerWaalsContact O-CB 3.26Å; Y552-K556 WeakPolarHBondContact O-CB 3.15Å; Y552-K556 PolarHBondContact O-N 3.17Å; Y552-K556 VanDerWaalsContact O-N 3.09Å; K553-K556 WeakPolarHBondContact O-CB 3.43Å; K553-K556 PolarHBondContact O-N 2.93Å; L554-K556 VanDerWaalsContact C-N 3.26Å; L554-K556 PolarHBondContact O-N 3.48Å; K556-K560 WeakPolarHBondContact O-CG 3.18Å; K556-K560 PolarHBondContact O-N 3.11Å; K556-R585 HydrophobicContact CB-CG 4.19Å; K556-G630 PolarHBondContact NZ-O 3.26Å
557	S	88.1	Confident	84	Confident	14 Å²	14	29.6 Å²	29.6	10%	0.098	16%	0.162	C	C	.	.	H	α-helix	trans	-70.7	-41.8	178.1	-62.7	0	0	0	0	111.6	L450 K553 L554 A559 K560 E561	L450-S557 VanDerWaalsContact O-CB 3.3Å; L450-S557 WeakPolarHBondContact O-CB 3.42Å; L450-S557 PolarHBondContact O-OG 3.49Å; K553-S557 PolarHBondContact O-N 2.6Å; K553-S557 PolarHBondContact O-OG 3.48Å; L554-S557 PolarHBondContact O-N 3.12Å; L554-S557 VanDerWaalsContact O-N 3.15Å; S557-A559 PolarHBondContact O-N 2.84Å; S557-K560 WeakPolarHBondContact O-CB 3.35Å; S557-K560 PolarHBondContact O-N 3.38Å; S557-E561 PolarHBondContact O-N 3.49Å
558	M	85.8	Confident	82	Confident	7 Å²	7	36.2 Å²	36.2	3%	0.034	20%	0.196	C	C	.	.	H	α-helix	trans	-64.5	-38.3	175.8	-69.1	-174.2	-61.3	0	0	112.5	L450 V526 L527 L554 F555 K560 E561 A562 F581	L450-M558 HydrophobicContact CD1-CG 4.19Å; L450-M558 HydrophobicContact CD2-CG 4.47Å; V526-M558 HydrophobicContact CG1-CE 3.81Å; V526-M558 WeakPolarHBondContact O-CE 3.2Å; L527-M558 HydrophobicContact CD2-SD 4.15Å; L554-M558 HydrophobicContact CB-CE 4.49Å; L554-M558 WeakPolarHBondContact O-CG 3.37Å; L554-M558 PolarHBondContact O-N 3.4Å; F555-M558 HydrophobicContact CD1-CE 3.43Å; F555-M558 VanDerWaalsContact CD1-CE 3.43Å; F555-M558 HydrophobicContact CE1-CE 3.81Å; F555-M558 HydrophobicContact CG-CE 4.29Å; M558-K560 VanDerWaalsContact C-N 3.33Å; M558-K560 PolarHBondContact O-N 3Å; M558-E561 PolarHBondContact O-N 3.4Å; M558-A562 WeakPolarHBondContact O-CB 3.39Å; M558-A562 PolarHBondContact O-N 3.48Å; M558-F581 HydrophobicContact CB-CD2 4.37Å; M558-F581 HydrophobicContact CB-CE2 4.34Å; M558-F581 HydrophobicContact CB-CZ 4.44Å; M558-F581 HydrophobicContact CE-CD1 4.06Å; M558-F581 HydrophobicContact CE-CE1 3.79Å; M558-F581 HydrophobicContact CE-CZ 4.43Å; M558-F581 HydrophobicContact SD-CE1 4.21Å; M558-F581 HydrophobicContact SD-CZ 4.28Å
559	A	83.8	Confident	80.2	Confident	1 Å²	1	41.7 Å²	41.7	1%	0.008	23%	0.232	C	C	.	.	H	α-helix	trans	-63	-39.2	173.9	0	0	0	0	0	112.1	F555 S557 A562 D563 F581 Y582	F555-A559 VanDerWaalsContact O-CB 3.26Å; F555-A559 WeakPolarHBondContact O-CB 3.25Å; F555-A559 PolarHBondContact O-N 2.92Å; S557-A559 PolarHBondContact O-N 2.84Å; A559-A562 PolarHBondContact O-N 3.29Å; A559-D563 VanDerWaalsContact O-CG 3.31Å; A559-D563 PolarHBondContact O-N 3.49Å; A559-F581 HydrophobicContact CB-CB 4.12Å; A559-Y582 HydrophobicContact CB-CD2 4.46Å; A559-Y582 HydrophobicContact CB-CE1 4.25Å; A559-Y582 HydrophobicContact CB-CE2 4.14Å
560	K	83.7	Confident	78	Confident	83 Å²	83	44.2 Å²	44.2	36%	0.361	25%	0.253	S	S	.	.	H	α-helix	trans	-66	-43.7	174.9	-75.7	179.7	166.8	-157.2	0	112.3	K556 S557 M558 A562 D563 S564 D1088 N1089	K556-K560 WeakPolarHBondContact O-CG 3.18Å; K556-K560 PolarHBondContact O-N 3.11Å; S557-K560 WeakPolarHBondContact O-CB 3.35Å; S557-K560 PolarHBondContact O-N 3.38Å; M558-K560 VanDerWaalsContact C-N 3.33Å; M558-K560 PolarHBondContact O-N 3Å; K560-A562 VanDerWaalsContact C-N 3.3Å; K560-A562 PolarHBondContact O-N 2.98Å; K560-D563 PolarHBondContact O-N 3.09Å; K560-S564 PolarHBondContact O-N 2.86Å; K560-D1088 PolarHBondContact NZ-O 3.03Å; K560-N1089 PolarHBondContact NZ-OD1 3.24Å
561	E	78.2	Confident	76.2	Confident	62 Å²	62	51 Å²	51	29%	0.29	29%	0.288	S	S	.	.	H	α-helix	trans	-66.4	-35.1	178	-161.7	76.8	161.9	0	0	111.1	L433 K449 S557 M558 S564 I565	L433-E561 HydrophobicContact CD2-CB 4.5Å; L433-E561 HydrophobicContact CD2-CG 3.67Å; K449-E561 IonicContact NZ-OE1 2.91Å; K449-E561 PolarHBondContact NZ-OE1 3.37Å; S557-E561 PolarHBondContact O-N 3.49Å; M558-E561 PolarHBondContact O-N 3.4Å; E561-S564 PolarHBondContact O-N 3.28Å; E561-S564 PolarHBondContact O-OG 2.85Å; E561-I565 HydrophobicContact CG-CD1 4.28Å; E561-I565 WeakPolarHBondContact O-CD1 3.11Å; E561-I565 VanDerWaalsContact O-CG1 3.22Å; E561-I565 WeakPolarHBondContact O-CG1 3.34Å; E561-I565 PolarHBondContact O-N 3Å
562	A	74.4	Confident	74.3	Confident	4 Å²	4	54.4 Å²	54.4	3%	0.033	31%	0.308	C	S	.	.	H	α-helix	trans	-63.8	-42.5	171.9	0	0	0	0	0	112.2	M558 A559 K560 S564 I565 Y566 F578	M558-A562 WeakPolarHBondContact O-CB 3.39Å; M558-A562 PolarHBondContact O-N 3.48Å; A559-A562 PolarHBondContact O-N 3.29Å; K560-A562 VanDerWaalsContact C-N 3.3Å; K560-A562 PolarHBondContact O-N 2.98Å; A562-S564 VanDerWaalsContact C-N 3.29Å; A562-S564 PolarHBondContact O-N 3.31Å; A562-I565 PolarHBondContact O-N 2.81Å; A562-Y566 VanDerWaalsContact O-CD2 3.28Å; A562-Y566 WeakPolarHBondContact O-CD2 3.41Å; A562-Y566 PolarHBondContact O-N 3.21Å; A562-F578 HydrophobicContact CB-CB 4.01Å; A562-F578 HydrophobicContact CB-CD1 3.19Å; A562-F578 HydrophobicContact CB-CE1 3.78Å; A562-F578 HydrophobicContact CB-CG 3.65Å
563	D	75	Confident	72.5	Confident	77 Å²	77	59.5 Å²	59.5	41%	0.412	34%	0.342	S	S	.	.	H	α-helix	trans	-62.8	-36.9	176.4	-69.3	-18	0	0	0	112	A559 K560 G567 Y582	A559-D563 VanDerWaalsContact O-CG 3.31Å; A559-D563 PolarHBondContact O-N 3.49Å; K560-D563 PolarHBondContact O-N 3.09Å; D563-G567 WeakPolarHBondContact O-CA 3.17Å; D563-G567 PolarHBondContact O-N 3.3Å; D563-G567 VanDerWaalsContact O-N 3.11Å; D563-Y582 PolarHBondContact OD1-OH 3.21Å; D563-Y582 PolarHBondContact OD2-OH 2.99Å
564	S	73.8	Confident	70.7	Confident	80 Å²	80	59.7 Å²	59.7	56%	0.559	35%	0.348	S	S	*	.	H	α-helix	trans	-69.3	-37.3	178.2	71.7	0	0	0	0	112.1	K560 E561 A562	K560-S564 PolarHBondContact O-N 2.86Å; E561-S564 PolarHBondContact O-N 3.28Å; E561-S564 PolarHBondContact O-OG 2.85Å; A562-S564 VanDerWaalsContact C-N 3.29Å; A562-S564 PolarHBondContact O-N 3.31Å
565	I	69.9	Low	69	Low	80 Å²	80	62.8 Å²	62.8	41%	0.41	36%	0.361	S	S	.	.	H	α-helix	trans	-69.6	-46	178	-67	164.3	0	0	0	111.9	T432 L433 E561 A562	T432-I565 HydrophobicContact CG2-CD1 4.4Å; L433-I565 HydrophobicContact CD2-CD1 4.22Å; E561-I565 HydrophobicContact CG-CD1 4.28Å; E561-I565 WeakPolarHBondContact O-CD1 3.11Å; E561-I565 VanDerWaalsContact O-CG1 3.22Å; E561-I565 WeakPolarHBondContact O-CG1 3.34Å; E561-I565 PolarHBondContact O-N 3Å; A562-I565 PolarHBondContact O-N 2.81Å
566	Y	65.7	Low	67.6	Low	94 Å²	94	71.2 Å²	71.2	37%	0.369	39%	0.393	S	S	.	.	H	α-helix	trans	-96	6	-173	-66.4	-75.5	0	0	0	114.7	A562 L568 F578	A562-Y566 VanDerWaalsContact O-CD2 3.28Å; A562-Y566 WeakPolarHBondContact O-CD2 3.41Å; A562-Y566 PolarHBondContact O-N 3.21Å; Y566-L568 PolarHBondContact O-N 3.45Å; Y566-F578 HydrophobicContact CD2-CD2 4.01Å; Y566-F578 AromaticContact CD2-CE2 3.84Å; Y566-F578 HydrophobicContact CD2-CE2 3.84Å; Y566-F578 HydrophobicContact CD2-CZ 4.33Å; Y566-F578 AromaticContact CE2-CD2 3.63Å; Y566-F578 HydrophobicContact CE2-CD2 3.63Å; Y566-F578 HydrophobicContact CE2-CE1 4.17Å; Y566-F578 AromaticContact CE2-CE2 2.99Å; Y566-F578 HydrophobicContact CE2-CE2 2.99Å; Y566-F578 HydrophobicContact CE2-CG 4.47Å; Y566-F578 AromaticContact CE2-CZ 3.31Å; Y566-F578 HydrophobicContact CE2-CZ 3.31Å; Y566-F578 AromaticContact CZ-CE2 3.42Å; Y566-F578 VanDerWaalsContact CZ-CE2 3.42Å; Y566-F578 AromaticContact CZ-CZ 3.87Å; Y566-F578 WeakPolarHBondContact OH-CE2 3.33Å
567	G	56.1	Low	66.2	Low	52 Å²	52	76 Å²	76	54%	0.536	41%	0.41	S	S	.	.			trans	-25.9	93.2	-169.3	0	0	0	0	0	115.1	D563	D563-G567 WeakPolarHBondContact O-CA 3.17Å; D563-G567 PolarHBondContact O-N 3.3Å; D563-G567 VanDerWaalsContact O-N 3.11Å
568	L	52.4	Low	65.2	Low	138 Å²	138	76.3 Å²	76.3	72%	0.723	41%	0.41	S	S	*	.	S	Bend	trans	168.2	152.3	166	-90.8	151.3	0	0	0	109.3	Y566 A570 K575	Y566-L568 PolarHBondContact O-N 3.45Å; L568-A570 PolarHBondContact O-N 3.03Å; L568-K575 PolarHBondContact O-NZ 2.85Å
569	P	56.4	Low	64.4	Low	116 Å²	116	80 Å²	80	75%	0.753	43%	0.429	S	S	*	.			trans	-79.2	31.2	-177.9	32.3	-32.5	0	0	0	114.5
570	A	47.3	Very low	64.1	Low	53 Å²	53	82.8 Å²	82.8	44%	0.438	44%	0.443	S	S	.	.			trans	-87.5	127.2	-179.1	0	0	0	0	0	112.4	L568 T572 K575	L568-A570 PolarHBondContact O-N 3.03Å; A570-T572 HydrophobicContact CB-CG2 4.25Å; A570-T572 PolarHBondContact O-N 3.27Å; A570-K575 WeakPolarHBondContact O-CD 3.38Å
571	I	55.2	Low	64	Low	144 Å²	144	78.9 Å²	78.9	74%	0.738	43%	0.427	S	S	*	.			trans	-75.6	69.8	173.4	-52.3	168.6	0	0	0	108.3
572	T	54.3	Low	64.2	Low	71 Å²	71	79.8 Å²	79.8	44%	0.436	43%	0.428	S	S	.	.			trans	-81.1	155.5	169.8	51.4	0	0	0	0	109.5	A570 G574 K575 R576	A570-T572 HydrophobicContact CB-CG2 4.25Å; A570-T572 PolarHBondContact O-N 3.27Å; T572-G574 PolarHBondContact O-N 3.04Å; T572-K575 WeakPolarHBondContact O-CB 3.3Å; T572-K575 PolarHBondContact O-N 3.15Å; T572-R576 PolarHBondContact O-N 2.83Å
573	T	55.5	Low	64.7	Low	124 Å²	124	83.2 Å²	83.2	76%	0.761	45%	0.448	S	S	*	.	H	α-helix	trans	-49.9	-29.6	174.6	16.8	0	0	0	0	112.6
574	G	56.3	Low	65.2	Low	19 Å²	19	80 Å²	80	20%	0.196	43%	0.431	C	S	.	.	H	α-helix	trans	-63.5	-47.7	170.5	0	0	0	0	0	113.2	T572 R576 R577 F578	T572-G574 PolarHBondContact O-N 3.04Å; G574-R576 VanDerWaalsContact C-N 3.27Å; G574-R576 PolarHBondContact O-N 3.11Å; G574-R577 WeakPolarHBondContact O-CB 3.35Å; G574-R577 PolarHBondContact O-N 2.91Å; G574-F578 WeakPolarHBondContact O-CD2 3.25Å; G574-F578 WeakPolarHBondContact O-CE2 2.96Å
575	K	56.3	Low	66	Low	65 Å²	65	80.2 Å²	80.2	28%	0.283	42%	0.42	S	S	.	.	H	α-helix	trans	-60.9	-33.6	-178.9	-161.9	166.7	-172	166.8	0	112.9	L568 A570 T572 R577 F578 I579	L568-K575 PolarHBondContact O-NZ 2.85Å; A570-K575 WeakPolarHBondContact O-CD 3.38Å; T572-K575 WeakPolarHBondContact O-CB 3.3Å; T572-K575 PolarHBondContact O-N 3.15Å; K575-R577 PolarHBondContact O-N 3.47Å; K575-F578 PolarHBondContact O-N 2.84Å; K575-I579 WeakPolarHBondContact O-CG1 3.19Å; K575-I579 PolarHBondContact O-N 3.17Å; K575-I579 VanDerWaalsContact O-N 3.12Å
576	R	61.1	Low	67	Low	177 Å²	177	84.7 Å²	84.7	67%	0.668	43%	0.431	S	S	*	.	H	α-helix	trans	-56.7	-34	173.4	-82	-173.1	-179.4	-176.9	0.7	112.7	T572 G574 F578 I579	T572-R576 PolarHBondContact O-N 2.83Å; G574-R576 VanDerWaalsContact C-N 3.27Å; G574-R576 PolarHBondContact O-N 3.11Å; R576-F578 VanDerWaalsContact C-N 3.3Å; R576-F578 PolarHBondContact O-N 3.31Å; R576-I579 HydrophobicContact CG-CD1 4.38Å
577	R	62	Low	68.2	Low	136 Å²	136	83.9 Å²	83.9	51%	0.513	43%	0.431	S	S	.	.	H	α-helix	trans	-66.4	-31.7	177.3	-61.7	-178.4	178.4	175.4	-1.9	112.5	P427 N529 G574 K575	P427-R577 HydrophobicContact CG-CG 4.26Å; N529-R577 PolarHBondContact ND2-O 3.12Å; G574-R577 WeakPolarHBondContact O-CB 3.35Å; G574-R577 PolarHBondContact O-N 2.91Å; K575-R577 PolarHBondContact O-N 3.47Å
578	F	66.6	Low	69.9	Low	19 Å²	19	81.4 Å²	81.4	8%	0.083	41%	0.405	C	S	.	.	H	α-helix	trans	-90.5	-17.8	-177.7	-60.8	-80	0	0	0	114.1	T429 A562 Y566 G574 K575 R576 N580 F581	T429-F578 HydrophobicContact CG2-CE1 4Å; T429-F578 HydrophobicContact CG2-CZ 4.44Å; A562-F578 HydrophobicContact CB-CB 4.01Å; A562-F578 HydrophobicContact CB-CD1 3.19Å; A562-F578 HydrophobicContact CB-CE1 3.78Å; A562-F578 HydrophobicContact CB-CG 3.65Å; Y566-F578 HydrophobicContact CD2-CD2 4.01Å; Y566-F578 AromaticContact CD2-CE2 3.84Å; Y566-F578 HydrophobicContact CD2-CE2 3.84Å; Y566-F578 HydrophobicContact CD2-CZ 4.33Å; Y566-F578 AromaticContact CE2-CD2 3.63Å; Y566-F578 HydrophobicContact CE2-CD2 3.63Å; Y566-F578 HydrophobicContact CE2-CE1 4.17Å; Y566-F578 AromaticContact CE2-CE2 2.99Å; Y566-F578 HydrophobicContact CE2-CE2 2.99Å; Y566-F578 HydrophobicContact CE2-CG 4.47Å; Y566-F578 AromaticContact CE2-CZ 3.31Å; Y566-F578 HydrophobicContact CE2-CZ 3.31Å; Y566-F578 AromaticContact CZ-CE2 3.42Å; Y566-F578 VanDerWaalsContact CZ-CE2 3.42Å; Y566-F578 AromaticContact CZ-CZ 3.87Å; Y566-F578 WeakPolarHBondContact OH-CE2 3.33Å; G574-F578 WeakPolarHBondContact O-CD2 3.25Å; G574-F578 WeakPolarHBondContact O-CE2 2.96Å; K575-F578 PolarHBondContact O-N 2.84Å; R576-F578 VanDerWaalsContact C-N 3.3Å; R576-F578 PolarHBondContact O-N 3.31Å; F578-N580 PolarHBondContact O-N 3.44Å; F578-F581 HydrophobicContact CB-CD2 4.35Å; F578-F581 AromaticContact CD1-CD2 3.8Å; F578-F581 HydrophobicContact CD1-CD2 3.8Å; F578-F581 AromaticContact CD1-CE2 3.55Å; F578-F581 HydrophobicContact CD1-CE2 3.55Å; F578-F581 HydrophobicContact CE1-CE2 4.03Å; F578-F581 PolarHBondContact O-N 3.23Å; F578-F581 VanDerWaalsContact O-N 3.08Å
579	I	69.2	Low	71.9	Confident	85 Å²	85	78.3 Å²	78.3	44%	0.436	38%	0.384	S	S	.	.	H	α-helix	trans	-55	-35.7	173.3	-69.8	172.6	0	0	0	110.7	K575 R576 F581 Y582 V583	K575-I579 WeakPolarHBondContact O-CG1 3.19Å; K575-I579 PolarHBondContact O-N 3.17Å; K575-I579 VanDerWaalsContact O-N 3.12Å; R576-I579 HydrophobicContact CG-CD1 4.38Å; I579-F581 VanDerWaalsContact C-N 3.26Å; I579-F581 PolarHBondContact O-N 3.24Å; I579-Y582 WeakPolarHBondContact O-CB 3.43Å; I579-Y582 PolarHBondContact O-N 3.29Å; I579-Y582 VanDerWaalsContact O-N 3.08Å; I579-V583 PolarHBondContact O-N 2.93Å
580	N	76.9	Confident	73.7	Confident	59 Å²	59	78 Å²	78	32%	0.316	37%	0.371	S	S	.	.	H	α-helix	trans	-54.8	-39.5	177.9	-72.1	-7.2	0	0	0	112.5	L531 F578 Y582 V583 L584	L531-N580 HydrophobicContact CD1-CB 3.77Å; L531-N580 HydrophobicContact CD2-CB 3.94Å; L531-N580 HydrophobicContact CG-CB 4.44Å; F578-N580 PolarHBondContact O-N 3.44Å; N580-Y582 VanDerWaalsContact C-N 3.3Å; N580-Y582 PolarHBondContact O-N 3.23Å; N580-V583 PolarHBondContact O-N 3.3Å; N580-L584 VanDerWaalsContact O-CD1 3.31Å; N580-L584 WeakPolarHBondContact O-CD1 3.32Å; N580-L584 PolarHBondContact O-N 3.29Å
581	F	81.3	Confident	75.9	Confident	2 Å²	2	77.4 Å²	77.4	1%	0.009	36%	0.357	C	S	.	.	H	α-helix	trans	-63.1	-34.8	179.1	-63.6	-44.4	0	0	0	113.3	T429 N529 F555 M558 A559 F578 I579 R585	T429-F581 HydrophobicContact CG2-CE2 3.93Å; T429-F581 HydrophobicContact CG2-CZ 3.7Å; N529-F581 HydrophobicContact CB-CE1 3.98Å; N529-F581 HydrophobicContact CB-CZ 4.04Å; N529-F581 VanDerWaalsContact OD1-CE1 3.26Å; N529-F581 WeakPolarHBondContact OD1-CE1 3.46Å; F555-F581 AromaticContact CD1-CD1 3.74Å; F555-F581 HydrophobicContact CD1-CD1 3.74Å; F555-F581 HydrophobicContact CD1-CE1 4.35Å; F555-F581 HydrophobicContact CE1-CD1 4.16Å; F555-F581 HydrophobicContact CE1-CE1 4.45Å; M558-F581 HydrophobicContact CB-CD2 4.37Å; M558-F581 HydrophobicContact CB-CE2 4.34Å; M558-F581 HydrophobicContact CB-CZ 4.44Å; M558-F581 HydrophobicContact CE-CD1 4.06Å; M558-F581 HydrophobicContact CE-CE1 3.79Å; M558-F581 HydrophobicContact CE-CZ 4.43Å; M558-F581 HydrophobicContact SD-CE1 4.21Å; M558-F581 HydrophobicContact SD-CZ 4.28Å; A559-F581 HydrophobicContact CB-CB 4.12Å; F578-F581 HydrophobicContact CB-CD2 4.35Å; F578-F581 AromaticContact CD1-CD2 3.8Å; F578-F581 HydrophobicContact CD1-CD2 3.8Å; F578-F581 AromaticContact CD1-CE2 3.55Å; F578-F581 HydrophobicContact CD1-CE2 3.55Å; F578-F581 HydrophobicContact CE1-CE2 4.03Å; F578-F581 PolarHBondContact O-N 3.23Å; F578-F581 VanDerWaalsContact O-N 3.08Å; I579-F581 VanDerWaalsContact C-N 3.26Å; I579-F581 PolarHBondContact O-N 3.24Å; F581-R585 VanDerWaalsContact O-CB 3.25Å; F581-R585 WeakPolarHBondContact O-CB 3.02Å; F581-R585 PolarHBondContact O-N 2.6Å
582	Y	82.7	Confident	77.8	Confident	81 Å²	81	70.5 Å²	70.5	32%	0.318	32%	0.322	S	S	.	.	H	α-helix	trans	-67.7	-40.5	176.2	-73.7	-83.4	0	0	0	112.4	A559 D563 I579 N580 R586	A559-Y582 HydrophobicContact CB-CD2 4.46Å; A559-Y582 HydrophobicContact CB-CE1 4.25Å; A559-Y582 HydrophobicContact CB-CE2 4.14Å; D563-Y582 PolarHBondContact OD1-OH 3.21Å; D563-Y582 PolarHBondContact OD2-OH 2.99Å; I579-Y582 WeakPolarHBondContact O-CB 3.43Å; I579-Y582 PolarHBondContact O-N 3.29Å; I579-Y582 VanDerWaalsContact O-N 3.08Å; N580-Y582 VanDerWaalsContact C-N 3.3Å; N580-Y582 PolarHBondContact O-N 3.23Å; Y582-R586 PolarHBondContact O-N 3.22Å
583	V	84.7	Confident	79.6	Confident	75 Å²	75	68.5 Å²	68.5	46%	0.455	31%	0.308	S	S	.	.	H	α-helix	trans	-64.4	-47.8	176.5	-178.3	0	0	0	0	109.4	I579 N580 R585 R586 E587	I579-V583 PolarHBondContact O-N 2.93Å; N580-V583 PolarHBondContact O-N 3.3Å; V583-R585 PolarHBondContact O-N 2.61Å; V583-R586 WeakPolarHBondContact O-CB 3.33Å; V583-R586 PolarHBondContact O-N 2.98Å; V583-E587 HydrophobicContact CG1-CG 4.48Å; V583-E587 PolarHBondContact O-N 2.98Å
584	L	84.6	Confident	81.5	Confident	11 Å²	11	66.8 Å²	66.8	6%	0.058	29%	0.292	C	S	.	.	H	α-helix	trans	-67.9	-38.2	-178.1	-92.7	68.1	0	0	0	113.3	L531 F555 N580 R586 E587 F588	L531-L584 HydrophobicContact CB-CD1 3.89Å; L531-L584 HydrophobicContact CB-CD2 3.89Å; L531-L584 HydrophobicContact CB-CG 4.4Å; L531-L584 HydrophobicContact CD1-CD1 3.58Å; L531-L584 HydrophobicContact CD2-CD1 3.54Å; L531-L584 HydrophobicContact CD2-CD2 3.35Å; L531-L584 HydrophobicContact CD2-CG 4.02Å; L531-L584 HydrophobicContact CG-CD1 3.8Å; L531-L584 HydrophobicContact CG-CD2 4.11Å; F555-L584 HydrophobicContact CD1-CB 4.07Å; F555-L584 HydrophobicContact CD1-CD2 4.34Å; F555-L584 HydrophobicContact CD2-CB 3.87Å; F555-L584 HydrophobicContact CE1-CB 4.13Å; F555-L584 HydrophobicContact CE1-CD2 3.58Å; F555-L584 HydrophobicContact CE2-CB 3.97Å; F555-L584 HydrophobicContact CE2-CD2 3.84Å; F555-L584 HydrophobicContact CE2-CG 4.45Å; F555-L584 HydrophobicContact CG-CB 3.97Å; F555-L584 HydrophobicContact CZ-CB 4.09Å; F555-L584 HydrophobicContact CZ-CD2 3.29Å; F555-L584 HydrophobicContact CZ-CG 4.3Å; N580-L584 VanDerWaalsContact O-CD1 3.31Å; N580-L584 WeakPolarHBondContact O-CD1 3.32Å; N580-L584 PolarHBondContact O-N 3.29Å; L584-R586 PolarHBondContact O-N 2.89Å; L584-E587 PolarHBondContact O-N 3Å; L584-F588 HydrophobicContact CB-CD2 4.44Å; L584-F588 HydrophobicContact CD2-CE2 4.35Å; L584-F588 WeakPolarHBondContact O-CD2 3.48Å; L584-F588 PolarHBondContact O-N 2.05Å
585	R	90.5	Very high	83.3	Confident	84 Å²	84	67.5 Å²	67.5	32%	0.317	29%	0.291	S	S	.	.	H	α-helix	trans	-54.2	-42.1	171	-175.7	-172.5	74	178.4	2.5	110.9	Y552 F555 K556 F581 V583 R589	Y552-R585 HydrophobicContact CD2-CG 3.64Å; Y552-R585 WeakPolarHBondContact CD2-O 3.14Å; Y552-R585 HydrophobicContact CE2-CG 3.58Å; F555-R585 HydrophobicContact CB-CB 4.04Å; K556-R585 HydrophobicContact CB-CG 4.19Å; F581-R585 VanDerWaalsContact O-CB 3.25Å; F581-R585 WeakPolarHBondContact O-CB 3.02Å; F581-R585 PolarHBondContact O-N 2.6Å; V583-R585 PolarHBondContact O-N 2.61Å; R585-R589 VanDerWaalsContact O-CB 3.25Å; R585-R589 WeakPolarHBondContact O-CB 3.35Å; R585-R589 PolarHBondContact O-N 2.85Å; R585-R589 VanDerWaalsContact O-N 3.17Å
586	R	91.2	Very high	85.1	Confident	174 Å²	174	64.4 Å²	64.4	66%	0.657	28%	0.278	S	S	*	.	H	α-helix	trans	-69.6	-43.4	178.6	-173.4	179.8	178.8	173.5	-0.6	111.7	Y582 V583 L584 R589 K590	Y582-R586 PolarHBondContact O-N 3.22Å; V583-R586 WeakPolarHBondContact O-CB 3.33Å; V583-R586 PolarHBondContact O-N 2.98Å; L584-R586 PolarHBondContact O-N 2.89Å; R586-R589 PolarHBondContact O-N 3.48Å; R586-K590 WeakPolarHBondContact O-CB 3.28Å; R586-K590 PolarHBondContact O-N 2.99Å
587	E	91.1	Very high	86.7	Confident	76 Å²	76	60.1 Å²	60.1	36%	0.355	27%	0.265	S	S	.	.	H	α-helix	trans	-61	-52.8	178.2	-74.5	-61.7	135.6	0	0	112.2	V583 L584 R589 K590 R591	V583-E587 HydrophobicContact CG1-CG 4.48Å; V583-E587 PolarHBondContact O-N 2.98Å; L584-E587 PolarHBondContact O-N 3Å; E587-R589 VanDerWaalsContact C-N 3.31Å; E587-R589 PolarHBondContact O-N 3.44Å; E587-K590 WeakPolarHBondContact O-CB 3.42Å; E587-K590 PolarHBondContact O-N 3.46Å; E587-K590 VanDerWaalsContact O-N 3.13Å; E587-R591 WeakPolarHBondContact O-CG 3.34Å; E587-R591 PolarHBondContact O-N 2.83Å
588	F	93.2	Very high	88.2	Confident	1 Å²	1	59.5 Å²	59.5	0%	0.004	27%	0.268	C	S	.	.	H	α-helix	trans	-66	-32.9	179.4	-83.3	-78.8	0	0	0	112.8	F522 W538 A548 F555 L584 S592	F522-F588 AromaticContact CE2-CE1 3.73Å; F522-F588 HydrophobicContact CE2-CE1 3.73Å; F522-F588 AromaticContact CE2-CZ 3.72Å; F522-F588 HydrophobicContact CE2-CZ 3.72Å; F522-F588 AromaticContact CZ-CE1 3.98Å; F522-F588 HydrophobicContact CZ-CE1 3.98Å; F522-F588 HydrophobicContact CZ-CZ 4.24Å; W538-F588 HydrophobicContact CB-CE1 4.04Å; W538-F588 HydrophobicContact CB-CZ 4.39Å; W538-F588 AromaticContact CD1-CE1 3.81Å; W538-F588 HydrophobicContact CD2-CE1 4.37Å; W538-F588 AromaticContact CG-CE1 3.78Å; W538-F588 HydrophobicContact CG-CE1 3.78Å; A548-F588 HydrophobicContact CB-CD1 4.36Å; F555-F588 AromaticContact CD2-CD2 3.77Å; F555-F588 HydrophobicContact CD2-CD2 3.77Å; F555-F588 HydrophobicContact CD2-CE2 4.26Å; F555-F588 HydrophobicContact CD2-CG 4.48Å; F555-F588 AromaticContact CE2-CD2 3.39Å; F555-F588 HydrophobicContact CE2-CD2 3.39Å; F555-F588 AromaticContact CE2-CE2 3.41Å; F555-F588 HydrophobicContact CE2-CE2 3.41Å; F555-F588 VanDerWaalsContact CE2-CE2 3.41Å; F555-F588 HydrophobicContact CE2-CG 4.31Å; F555-F588 HydrophobicContact CE2-CZ 4.32Å; F555-F588 HydrophobicContact CZ-CD2 4.47Å; F555-F588 HydrophobicContact CZ-CE2 4.16Å; L584-F588 HydrophobicContact CB-CD2 4.44Å; L584-F588 HydrophobicContact CD2-CE2 4.35Å; L584-F588 WeakPolarHBondContact O-CD2 3.48Å; L584-F588 PolarHBondContact O-N 2.05Å; F588-S592 WeakPolarHBondContact O-CB 3.31Å; F588-S592 PolarHBondContact O-N 2.93Å; F588-S592 PolarHBondContact O-OG 3.13Å
589	R	94	Very high	89.4	Confident	73 Å²	73	60.7 Å²	60.7	28%	0.275	28%	0.278	S	S	.	.	H	α-helix	trans	-60.7	-49.8	170.1	-176.4	-179.8	65.5	142.4	14	111.1	Y552 R585 R586 E587 S592 N593 E634	Y552-R589 HydrophobicContact CD2-CB 3.75Å; Y552-R589 HydrophobicContact CD2-CG 4.42Å; Y552-R589 HydrophobicContact CE2-CB 3.96Å; Y552-R589 HydrophobicContact CE2-CG 4.24Å; R585-R589 VanDerWaalsContact O-CB 3.25Å; R585-R589 WeakPolarHBondContact O-CB 3.35Å; R585-R589 PolarHBondContact O-N 2.85Å; R585-R589 VanDerWaalsContact O-N 3.17Å; R586-R589 PolarHBondContact O-N 3.48Å; E587-R589 VanDerWaalsContact C-N 3.31Å; E587-R589 PolarHBondContact O-N 3.44Å; R589-S592 PolarHBondContact O-N 3.33Å; R589-S592 PolarHBondContact O-OG 3.28Å; R589-N593 PolarHBondContact O-N 3.13Å; R589-N593 PolarHBondContact O-ND2 3.23Å; R589-E634 IonicContact CZ-OE1 2.89Å; R589-E634 VanDerWaalsContact CZ-OE1 3.28Å; R589-E634 IonicContact CZ-OE2 3.31Å; R589-E634 IonicContact NE-OE2 3.23Å; R589-E634 VanDerWaalsContact NH1-CD 3.27Å; R589-E634 IonicContact NH1-OE1 3.82Å; R589-E634 PolarHBondContact NH1-OE1 3.44Å; R589-E634 IonicContact NH1-OE2 2.7Å; R589-E634 PolarHBondContact NH1-OE2 2.91Å; R589-E634 IonicContact NH2-OE1 2.77Å; R589-E634 IonicContact NH2-OE2 2.98Å
590	K	94.5	Very high	90.5	Very high	109 Å²	109	60.1 Å²	60.1	47%	0.474	27%	0.271	S	S	.	.	H	α-helix	trans	-59.3	-49.9	179	-178.7	179.3	168.2	-174.2	0	111	R586 E587 S592 N593 E594	R586-K590 WeakPolarHBondContact O-CB 3.28Å; R586-K590 PolarHBondContact O-N 2.99Å; E587-K590 WeakPolarHBondContact O-CB 3.42Å; E587-K590 PolarHBondContact O-N 3.46Å; E587-K590 VanDerWaalsContact O-N 3.13Å; K590-S592 PolarHBondContact O-N 2.88Å; K590-N593 PolarHBondContact O-N 3Å; K590-N593 VanDerWaalsContact O-N 3.12Å; K590-E594 WeakPolarHBondContact CE-OE1 3.19Å; K590-E594 HydrophobicContact CG-CG 4.32Å; K590-E594 IonicContact NZ-OE1 3.2Å; K590-E594 WeakPolarHBondContact O-CG 3.31Å; K590-E594 PolarHBondContact O-N 3.33Å
591	R	93.9	Very high	91.3	Very high	40 Å²	40	64.4 Å²	64.4	15%	0.151	29%	0.287	C	S	.	.	H	α-helix	trans	-60.2	-40.9	178.3	-68.8	178.5	-174.5	-167.9	4.5	113.4	V535 W538 E587 N593 E594 L595	V535-R591 VanDerWaalsContact CG1-NH1 3.27Å; V535-R591 VanDerWaalsContact CG1-NH2 3.33Å; W538-R591 HydrophobicContact CH2-CB 4.02Å; W538-R591 HydrophobicContact CH2-CG 4.34Å; W538-R591 HydrophobicContact CZ2-CB 4.14Å; E587-R591 WeakPolarHBondContact O-CG 3.34Å; E587-R591 PolarHBondContact O-N 2.83Å; R591-N593 VanDerWaalsContact C-N 3.29Å; R591-N593 PolarHBondContact O-N 3.01Å; R591-E594 PolarHBondContact O-N 3.09Å; R591-L595 VanDerWaalsContact O-CB 3.25Å; R591-L595 WeakPolarHBondContact O-CB 3.39Å; R591-L595 PolarHBondContact O-N 3.35Å
592	S	94	Very high	91.8	Very high	0 Å²	0	70.3 Å²	70.3	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-61.2	-38.9	175.9	71.1	0	0	0	0	112.2	F588 R589 K590 L596 N632 F635	F588-S592 WeakPolarHBondContact O-CB 3.31Å; F588-S592 PolarHBondContact O-N 2.93Å; F588-S592 PolarHBondContact O-OG 3.13Å; R589-S592 PolarHBondContact O-N 3.33Å; R589-S592 PolarHBondContact O-OG 3.28Å; K590-S592 PolarHBondContact O-N 2.88Å; S592-L596 WeakPolarHBondContact O-CB 3.21Å; S592-L596 PolarHBondContact O-N 3.18Å; S592-N632 PolarHBondContact OG-ND2 2.67Å; S592-F635 WeakPolarHBondContact O-CE2 3.46Å
593	N	93	Very high	92	Very high	28 Å²	28	69.1 Å²	69.1	15%	0.15	32%	0.323	C	S	.	.	H	α-helix	trans	-73.9	-42.5	178.5	-67.2	-24.9	0	0	0	111.6	R589 K590 R591 L596 E597 E634 F635	R589-N593 PolarHBondContact O-N 3.13Å; R589-N593 PolarHBondContact O-ND2 3.23Å; K590-N593 PolarHBondContact O-N 3Å; K590-N593 VanDerWaalsContact O-N 3.12Å; R591-N593 VanDerWaalsContact C-N 3.29Å; R591-N593 PolarHBondContact O-N 3.01Å; N593-L596 PolarHBondContact O-N 3.49Å; N593-E597 WeakPolarHBondContact O-CB 3.47Å; N593-E597 PolarHBondContact O-N 3.05Å; N593-E634 WeakPolarHBondContact ND2-CB 3.07Å; N593-E634 PolarHBondContact ND2-OE2 3.18Å; N593-F635 VanDerWaalsContact OD1-CA 3.25Å; N593-F635 WeakPolarHBondContact OD1-CA 3.23Å; N593-F635 WeakPolarHBondContact OD1-CB 3.41Å; N593-F635 PolarHBondContact OD1-N 3.05Å
594	E	94.9	Very high	92	Very high	89 Å²	89	69.8 Å²	69.8	42%	0.416	32%	0.323	S	S	.	.	H	α-helix	trans	-64.5	-43.6	178.3	-73.5	175.3	163.5	0	0	112	K590 R591 E597 Q598	K590-E594 WeakPolarHBondContact CE-OE1 3.19Å; K590-E594 HydrophobicContact CG-CG 4.32Å; K590-E594 IonicContact NZ-OE1 3.2Å; K590-E594 WeakPolarHBondContact O-CG 3.31Å; K590-E594 PolarHBondContact O-N 3.33Å; R591-E594 PolarHBondContact O-N 3.09Å; E594-E597 PolarHBondContact O-N 3.4Å; E594-Q598 WeakPolarHBondContact O-CG 3.13Å; E594-Q598 PolarHBondContact O-N 3.23Å
595	L	94	Very high	91.8	Very high	34 Å²	34	73.1 Å²	73.1	18%	0.178	34%	0.338	C	S	.	.	H	α-helix	trans	-63.4	-43.2	176.4	-174.2	66.1	0	0	0	111	W538 P544 L545 R591 E597 Q598 C599	W538-L595 HydrophobicContact CZ2-CD2 4.38Å; P544-L595 HydrophobicContact CB-CD2 4.05Å; P544-L595 HydrophobicContact CG-CD2 4.08Å; L545-L595 HydrophobicContact CB-CD2 3.92Å; L545-L595 HydrophobicContact CD1-CB 4.41Å; L545-L595 HydrophobicContact CD1-CD2 4Å; L545-L595 HydrophobicContact CD1-CG 4.34Å; R591-L595 VanDerWaalsContact O-CB 3.25Å; R591-L595 WeakPolarHBondContact O-CB 3.39Å; R591-L595 PolarHBondContact O-N 3.35Å; L595-E597 VanDerWaalsContact C-N 3.32Å; L595-E597 PolarHBondContact O-N 3.42Å; L595-Q598 PolarHBondContact O-N 3.04Å; L595-C599 PolarHBondContact O-N 2.86Å; L595-C599 PolarHBondContact O-SG 2.91Å
596	L	94.6	Very high	91.6	Very high	0 Å²	0	75 Å²	75	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-62.5	-40	175.4	179.6	61.5	0	0	0	112	L545 S592 N593 C599 Y600 T607 L611 F635 H638	L545-L596 HydrophobicContact CD1-CB 4.46Å; S592-L596 WeakPolarHBondContact O-CB 3.21Å; S592-L596 PolarHBondContact O-N 3.18Å; N593-L596 PolarHBondContact O-N 3.49Å; L596-C599 PolarHBondContact O-N 2.99Å; L596-Y600 VanDerWaalsContact O-CB 3.29Å; L596-Y600 WeakPolarHBondContact O-CB 3.34Å; L596-Y600 PolarHBondContact O-N 3.37Å; L596-T607 HydrophobicContact CD1-CG2 3.66Å; L596-L611 HydrophobicContact CD1-CD1 4.12Å; L596-L611 HydrophobicContact CD1-CD2 3.97Å; L596-L611 HydrophobicContact CD1-CG 4.24Å; L596-F635 HydrophobicContact CB-CE2 3.92Å; L596-F635 HydrophobicContact CB-CZ 4.46Å; L596-F635 HydrophobicContact CD2-CD1 4.33Å; L596-F635 HydrophobicContact CD2-CD2 3.94Å; L596-F635 HydrophobicContact CD2-CE1 4.09Å; L596-F635 HydrophobicContact CD2-CE2 3.68Å; L596-F635 HydrophobicContact CD2-CG 4.26Å; L596-F635 HydrophobicContact CD2-CZ 3.76Å; L596-F635 HydrophobicContact CG-CE2 4.31Å; L596-F635 HydrophobicContact CG-CZ 4.47Å; L596-H638 HydrophobicContact CD2-CB 3.67Å; L596-H638 VanDerWaalsContact CD2-CG 3.49Å; L596-H638 WeakPolarHBondContact CD2-ND1 3.48Å
597	E	94.1	Very high	91.4	Very high	87 Å²	87	67 Å²	67	41%	0.407	32%	0.319	S	S	.	.	H	α-helix	trans	-67.7	-37.7	177.8	-175.3	165.4	161	0	0	111.8	N593 E594 L595 Y600 K601	N593-E597 WeakPolarHBondContact O-CB 3.47Å; N593-E597 PolarHBondContact O-N 3.05Å; E594-E597 PolarHBondContact O-N 3.4Å; L595-E597 VanDerWaalsContact C-N 3.32Å; L595-E597 PolarHBondContact O-N 3.42Å; E597-Y600 PolarHBondContact O-N 3.47Å; E597-K601 HydrophobicContact CG-CD 4.28Å; E597-K601 WeakPolarHBondContact O-CB 3.33Å; E597-K601 VanDerWaalsContact O-CG 3.29Å; E597-K601 WeakPolarHBondContact O-CG 3.42Å; E597-K601 PolarHBondContact O-N 3.35Å; E597-K601 WeakPolarHBondContact OE1-CE 3.24Å; E597-K601 IonicContact OE1-NZ 2.69Å; E597-K601 PolarHBondContact OE1-NZ 2.99Å
598	Q	93.4	Very high	90.9	Very high	122 Å²	122	65 Å²	65	57%	0.57	31%	0.31	S	S	*	.	H	α-helix	trans	-64.3	-49	172.8	-74.2	176.4	-6.3	0	0	111.5	E594 L595 Y600 K601 T602	E594-Q598 WeakPolarHBondContact O-CG 3.13Å; E594-Q598 PolarHBondContact O-N 3.23Å; L595-Q598 PolarHBondContact O-N 3.04Å; Q598-Y600 VanDerWaalsContact C-N 3.29Å; Q598-Y600 PolarHBondContact O-N 3.38Å; Q598-K601 PolarHBondContact O-N 3.14Å; Q598-T602 PolarHBondContact O-N 3.3Å; Q598-T602 PolarHBondContact O-OG1 3.5Å; Q598-T602 VanDerWaalsContact O-OG1 3.11Å
599	C	91.8	Very high	90.4	Very high	45 Å²	45	67.9 Å²	67.9	30%	0.304	32%	0.324	S	S	.	.	H	α-helix	trans	-55.3	-47	175.4	-66.3	0	0	0	0	111.1	L595 L596 K601 T602 D603 T607	L595-C599 PolarHBondContact O-N 2.86Å; L595-C599 PolarHBondContact O-SG 2.91Å; L596-C599 PolarHBondContact O-N 2.99Å; C599-K601 VanDerWaalsContact C-N 3.33Å; C599-K601 PolarHBondContact O-N 3.44Å; C599-T602 PolarHBondContact O-N 3.06Å; C599-D603 PolarHBondContact O-N 2.9Å; C599-T607 HydrophobicContact CB-CG2 4.03Å; C599-T607 WeakPolarHBondContact CB-OG1 3.48Å; C599-T607 PolarHBondContact O-OG1 3.3Å
600	Y	92.5	Very high	90	Very high	73 Å²	73	67.8 Å²	67.8	29%	0.286	33%	0.331	S	S	.	.	H	α-helix	trans	-66	-32.4	-179	-177	-110.4	0	0	0	113.6	L596 E597 Q598 D604 T607 H638 P639	L596-Y600 VanDerWaalsContact O-CB 3.29Å; L596-Y600 WeakPolarHBondContact O-CB 3.34Å; L596-Y600 PolarHBondContact O-N 3.37Å; E597-Y600 PolarHBondContact O-N 3.47Å; Q598-Y600 VanDerWaalsContact C-N 3.29Å; Q598-Y600 PolarHBondContact O-N 3.38Å; Y600-D604 HydrophobicContact CD2-CB 3.79Å; Y600-D604 HydrophobicContact CE2-CB 3.52Å; Y600-T607 PolarHBondContact N-OG1 3.28Å; Y600-H638 AromaticContact CD1-CE1 3.95Å; Y600-H638 AromaticContact CG-CE1 3.8Å; Y600-P639 HydrophobicContact CE1-CB 4.13Å
601	K	92.8	Very high	89.6	Confident	149 Å²	149	62.7 Å²	62.7	65%	0.648	31%	0.309	S	S	*	.	H	α-helix	trans	-71.3	-34	174.4	-77.9	172.9	-176	166.3	0	112.3	E597 Q598 C599	E597-K601 HydrophobicContact CG-CD 4.28Å; E597-K601 WeakPolarHBondContact O-CB 3.33Å; E597-K601 VanDerWaalsContact O-CG 3.29Å; E597-K601 WeakPolarHBondContact O-CG 3.42Å; E597-K601 PolarHBondContact O-N 3.35Å; E597-K601 WeakPolarHBondContact OE1-CE 3.24Å; E597-K601 IonicContact OE1-NZ 2.69Å; E597-K601 PolarHBondContact OE1-NZ 2.99Å; Q598-K601 PolarHBondContact O-N 3.14Å; C599-K601 VanDerWaalsContact C-N 3.33Å; C599-K601 PolarHBondContact O-N 3.44Å
602	T	91.6	Very high	89	Confident	125 Å²	125	62 Å²	62	77%	0.767	31%	0.309	S	S	*	.	H	α-helix	trans	-73.3	-54.8	178.3	-56	0	0	0	0	111.2	Q598 C599	Q598-T602 PolarHBondContact O-N 3.3Å; Q598-T602 PolarHBondContact O-OG1 3.5Å; Q598-T602 VanDerWaalsContact O-OG1 3.11Å; C599-T602 PolarHBondContact O-N 3.06Å
603	D	88.8	Confident	88.4	Confident	57 Å²	57	67.8 Å²	67.8	31%	0.305	33%	0.332	S	S	.	.			trans	-154.2	118.2	179.1	-167.5	-51.4	0	0	0	110.4	C599 F605 F606 T607	C599-D603 PolarHBondContact O-N 2.9Å; D603-F605 WeakPolarHBondContact OD1-CA 3.33Å; D603-F605 WeakPolarHBondContact OD1-CB 3.28Å; D603-F605 PolarHBondContact OD1-N 3.49Å; D603-F606 HydrophobicContact CB-CB 4.34Å; D603-F606 HydrophobicContact CB-CD2 4.16Å; D603-F606 VanDerWaalsContact CG-CD2 3.49Å; D603-F606 PolarHBondContact OD1-N 3.38Å; D603-F606 VanDerWaalsContact OD2-CD2 3.23Å; D603-F606 WeakPolarHBondContact OD2-CD2 3.42Å; D603-T607 VanDerWaalsContact O-CB 3.29Å; D603-T607 WeakPolarHBondContact O-CB 3.37Å; D603-T607 PolarHBondContact O-N 3.46Å; D603-T607 PolarHBondContact O-OG1 3.16Å
604	D	84.6	Confident	87.9	Confident	88 Å²	88	70.7 Å²	70.7	47%	0.471	35%	0.345	S	S	.	.	H	α-helix	trans	-72.5	-34.7	-178.9	61.1	-19.8	0	0	0	112.7	Y600 M608	Y600-D604 HydrophobicContact CD2-CB 3.79Å; Y600-D604 HydrophobicContact CE2-CB 3.52Å; D604-M608 VanDerWaalsContact O-CG 3.28Å; D604-M608 WeakPolarHBondContact O-CG 3.17Å; D604-M608 PolarHBondContact O-N 3.02Å; D604-M608 VanDerWaalsContact O-N 3.16Å
605	F	79.9	Confident	87.4	Confident	82 Å²	82	66.8 Å²	66.8	36%	0.36	33%	0.326	S	S	.	.	H	α-helix	trans	-71.8	-50.1	-177.4	177.4	-98.7	0	0	0	112.2	D603 T607 M608 Q609 L686	D603-F605 WeakPolarHBondContact OD1-CA 3.33Å; D603-F605 WeakPolarHBondContact OD1-CB 3.28Å; D603-F605 PolarHBondContact OD1-N 3.49Å; F605-T607 VanDerWaalsContact C-N 3.27Å; F605-T607 PolarHBondContact O-N 2.79Å; F605-M608 WeakPolarHBondContact O-CB 3.22Å; F605-M608 PolarHBondContact O-N 3.43Å; F605-Q609 PolarHBondContact O-N 3.01Å; F605-L686 HydrophobicContact CE1-CD2 4.26Å; F605-L686 HydrophobicContact CE2-CD1 3.8Å; F605-L686 HydrophobicContact CE2-CD2 4.42Å; F605-L686 HydrophobicContact CE2-CG 4.46Å; F605-L686 HydrophobicContact CZ-CB 4.4Å; F605-L686 HydrophobicContact CZ-CD1 3.43Å; F605-L686 VanDerWaalsContact CZ-CD1 3.43Å; F605-L686 HydrophobicContact CZ-CD2 3.53Å; F605-L686 HydrophobicContact CZ-CG 3.95Å
606	F	85.4	Confident	86.8	Confident	122 Å²	122	71.7 Å²	71.7	54%	0.535	35%	0.346	S	S	.	.	H	α-helix	trans	-64.6	-34.1	175.3	-76.2	-63.6	0	0	0	111.7	D603 M608 Q609 V610	D603-F606 HydrophobicContact CB-CB 4.34Å; D603-F606 HydrophobicContact CB-CD2 4.16Å; D603-F606 VanDerWaalsContact CG-CD2 3.49Å; D603-F606 PolarHBondContact OD1-N 3.38Å; D603-F606 VanDerWaalsContact OD2-CD2 3.23Å; D603-F606 WeakPolarHBondContact OD2-CD2 3.42Å; F606-M608 VanDerWaalsContact C-N 3.28Å; F606-M608 PolarHBondContact O-N 2.87Å; F606-Q609 WeakPolarHBondContact O-CB 3.22Å; F606-Q609 PolarHBondContact O-N 3.44Å; F606-Q609 VanDerWaalsContact O-N 3.13Å; F606-V610 WeakPolarHBondContact O-CG2 3.35Å; F606-V610 PolarHBondContact O-N 3.28Å
607	T	87.3	Confident	86.3	Confident	8 Å²	8	72.6 Å²	72.6	5%	0.049	35%	0.351	C	S	.	.	H	α-helix	trans	-59.5	-41	174.6	-62.2	0	0	0	0	111.7	L596 C599 Y600 D603 F605 Q609 V610 L611 S640	L596-T607 HydrophobicContact CD1-CG2 3.66Å; C599-T607 HydrophobicContact CB-CG2 4.03Å; C599-T607 WeakPolarHBondContact CB-OG1 3.48Å; C599-T607 PolarHBondContact O-OG1 3.3Å; Y600-T607 PolarHBondContact N-OG1 3.28Å; D603-T607 VanDerWaalsContact O-CB 3.29Å; D603-T607 WeakPolarHBondContact O-CB 3.37Å; D603-T607 PolarHBondContact O-N 3.46Å; D603-T607 PolarHBondContact O-OG1 3.16Å; F605-T607 VanDerWaalsContact C-N 3.27Å; F605-T607 PolarHBondContact O-N 2.79Å; T607-Q609 VanDerWaalsContact C-N 3.33Å; T607-Q609 PolarHBondContact O-N 3.39Å; T607-V610 PolarHBondContact O-N 3.37Å; T607-L611 HydrophobicContact CG2-CD1 4.45Å; T607-L611 WeakPolarHBondContact O-CG 3.33Å; T607-L611 PolarHBondContact O-N 2.98Å; T607-S640 WeakPolarHBondContact CG2-OG 3.25Å
608	M	81.4	Confident	86	Confident	32 Å²	32	68.6 Å²	68.6	16%	0.158	33%	0.332	C	S	.	.	H	α-helix	trans	-62.9	-41	176.1	-69.1	172.5	87	0	0	111.4	D604 F605 F606 L611 T612 V643 L644 D647	D604-M608 VanDerWaalsContact O-CG 3.28Å; D604-M608 WeakPolarHBondContact O-CG 3.17Å; D604-M608 PolarHBondContact O-N 3.02Å; D604-M608 VanDerWaalsContact O-N 3.16Å; F605-M608 WeakPolarHBondContact O-CB 3.22Å; F605-M608 PolarHBondContact O-N 3.43Å; F606-M608 VanDerWaalsContact C-N 3.28Å; F606-M608 PolarHBondContact O-N 2.87Å; M608-L611 PolarHBondContact O-N 2.94Å; M608-T612 PolarHBondContact O-N 3.05Å; M608-T612 PolarHBondContact O-OG1 3.39Å; M608-T612 VanDerWaalsContact O-OG1 3.09Å; M608-V643 HydrophobicContact CE-CB 4.4Å; M608-V643 HydrophobicContact CE-CG1 3.79Å; M608-V643 HydrophobicContact SD-CG1 4.21Å; M608-L644 HydrophobicContact CB-CD1 4.36Å; M608-L644 VanDerWaalsContact CE-CA 3.42Å; M608-L644 HydrophobicContact CE-CB 3.74Å; M608-L644 HydrophobicContact CE-CD1 3.79Å; M608-L644 HydrophobicContact CE-CG 4.38Å; M608-D647 HydrophobicContact CE-CB 4.49Å
609	Q	81.3	Confident	85.3	Confident	63 Å²	63	63.2 Å²	63.2	29%	0.294	31%	0.31	S	S	.	.	H	α-helix	trans	-62.1	-47.6	175.4	-65.7	-176	-0.3	0	0	112.2	F605 F606 T607 L611 T612 Y613 L686	F605-Q609 PolarHBondContact O-N 3.01Å; F606-Q609 WeakPolarHBondContact O-CB 3.22Å; F606-Q609 PolarHBondContact O-N 3.44Å; F606-Q609 VanDerWaalsContact O-N 3.13Å; T607-Q609 VanDerWaalsContact C-N 3.33Å; T607-Q609 PolarHBondContact O-N 3.39Å; Q609-L611 VanDerWaalsContact C-N 3.25Å; Q609-L611 PolarHBondContact O-N 3.43Å; Q609-T612 CarbonylContact O-C 3.59Å; Q609-T612 PolarHBondContact O-N 2.95Å; Q609-T612 PolarHBondContact O-OG1 3.17Å; Q609-Y613 PolarHBondContact O-N 2.67Å; Q609-L686 VanDerWaalsContact NE2-CD2 3.3Å
610	V	86.6	Confident	84.9	Confident	71 Å²	71	65.8 Å²	65.8	43%	0.43	32%	0.316	S	S	.	.	H	α-helix	trans	-58.3	-38.7	177.9	171.3	0	0	0	0	111.5	L545 F606 T607 T612 Y613	L545-V610 HydrophobicContact CD2-CG1 4.12Å; F606-V610 WeakPolarHBondContact O-CG2 3.35Å; F606-V610 PolarHBondContact O-N 3.28Å; T607-V610 PolarHBondContact O-N 3.37Å; V610-T612 VanDerWaalsContact C-N 3.28Å; V610-T612 PolarHBondContact O-N 3.49Å; V610-Y613 PolarHBondContact O-N 2.96Å
611	L	86.4	Confident	84.3	Confident	1 Å²	1	62.7 Å²	62.7	1%	0.005	30%	0.304	C	S	.	.	H	α-helix	trans	-66.3	-31.3	177.8	-77.2	177.5	0	0	0	113.3	L545 L596 T607 M608 Q609 C623 I624 F635 S640	L545-L611 HydrophobicContact CD2-CD2 4.31Å; L596-L611 HydrophobicContact CD1-CD1 4.12Å; L596-L611 HydrophobicContact CD1-CD2 3.97Å; L596-L611 HydrophobicContact CD1-CG 4.24Å; T607-L611 HydrophobicContact CG2-CD1 4.45Å; T607-L611 WeakPolarHBondContact O-CG 3.33Å; T607-L611 PolarHBondContact O-N 2.98Å; M608-L611 PolarHBondContact O-N 2.94Å; Q609-L611 VanDerWaalsContact C-N 3.25Å; Q609-L611 PolarHBondContact O-N 3.43Å; L611-C623 HydrophobicContact CD2-CB 4.09Å; L611-C623 PolarHBondContact O-N 3.47Å; L611-I624 HydrophobicContact CB-CD1 3.8Å; L611-I624 HydrophobicContact CB-CG1 3.94Å; L611-I624 HydrophobicContact CD1-CD1 4.34Å; L611-I624 HydrophobicContact CD2-CG1 4.04Å; L611-I624 HydrophobicContact CG-CG1 4.4Å; L611-F635 HydrophobicContact CD2-CE1 3.87Å; L611-F635 HydrophobicContact CD2-CZ 3.84Å; L611-S640 WeakPolarHBondContact CD1-OG 3.35Å
612	T	79.8	Confident	84	Confident	25 Å²	25	58 Å²	58	15%	0.153	29%	0.285	C	S	.	.	H	α-helix	trans	-98.5	-4.2	-178.9	57.2	0	0	0	0	114.6	M608 Q609 V610 N622 L644 A688	M608-T612 PolarHBondContact O-N 3.05Å; M608-T612 PolarHBondContact O-OG1 3.39Å; M608-T612 VanDerWaalsContact O-OG1 3.09Å; Q609-T612 CarbonylContact O-C 3.59Å; Q609-T612 PolarHBondContact O-N 2.95Å; Q609-T612 PolarHBondContact O-OG1 3.17Å; V610-T612 VanDerWaalsContact C-N 3.28Å; V610-T612 PolarHBondContact O-N 3.49Å; T612-N622 PolarHBondContact O-ND2 3.11Å; T612-L644 HydrophobicContact CG2-CD1 3.87Å; T612-L644 HydrophobicContact CG2-CD2 3.52Å; T612-L644 HydrophobicContact CG2-CG 4.3Å; T612-A688 VanDerWaalsContact CB-CB 3.48Å; T612-A688 HydrophobicContact CG2-CB 4.35Å
613	Y	82.1	Confident	83.9	Confident	122 Å²	122	52.2 Å²	52.2	48%	0.478	25%	0.25	S	C	.	.			trans	-64.3	135.3	177.9	179.7	-101	0	0	0	111.2	Q609 V610 L615 N622	Q609-Y613 PolarHBondContact O-N 2.67Å; V610-Y613 PolarHBondContact O-N 2.96Å; Y613-L615 HydrophobicContact CD1-CD2 3.94Å; Y613-L615 HydrophobicContact CD1-CG 4.45Å; Y613-L615 HydrophobicContact CE1-CD2 4.32Å; Y613-L615 PolarHBondContact O-N 2.97Å; Y613-N622 WeakPolarHBondContact O-CA 3.46Å; Y613-N622 PolarHBondContact O-OD1 3.07Å
614	E	83.2	Confident	83.8	Confident	90 Å²	90	50.3 Å²	50.3	42%	0.421	24%	0.24	S	C	.	.			trans	-80	108.8	175.7	-172.9	-174.7	152.6	0	0	110.1	K616 K620 N622	E614-K616 PolarHBondContact O-N 3.4Å; E614-K620 HydrophobicContact CG-CB 4.17Å; E614-K620 WeakPolarHBondContact OE1-CB 3.22Å; E614-K620 WeakPolarHBondContact OE1-CD 3.23Å; E614-K620 VanDerWaalsContact OE1-CG 3.28Å; E614-K620 WeakPolarHBondContact OE1-CG 3.42Å; E614-N622 WeakPolarHBondContact CA-OD1 3.22Å
615	L	84	Confident	83.8	Confident	6 Å²	6	46.9 Å²	46.9	3%	0.031	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-74.9	111.6	-178.4	-58.5	160.5	0	0	0	110	E543 A546 Y613 N617 W618 K620 K621 L626	E543-L615 HydrophobicContact CG-CD2 4.19Å; E543-L615 WeakPolarHBondContact OE1-CD2 3.48Å; A546-L615 HydrophobicContact CB-CD1 3.57Å; A546-L615 HydrophobicContact CB-CD2 4.14Å; Y613-L615 HydrophobicContact CD1-CD2 3.94Å; Y613-L615 HydrophobicContact CD1-CG 4.45Å; Y613-L615 HydrophobicContact CE1-CD2 4.32Å; Y613-L615 PolarHBondContact O-N 2.97Å; L615-N617 VanDerWaalsContact C-N 3.28Å; L615-N617 PolarHBondContact O-N 2.97Å; L615-W618 HydrophobicContact CB-CB 4.03Å; L615-W618 HydrophobicContact CB-CG 4.46Å; L615-W618 HydrophobicContact CD1-CB 4.18Å; L615-W618 HydrophobicContact CD1-CG 4.4Å; L615-K620 VanDerWaalsContact O-CA 3.24Å; L615-K620 WeakPolarHBondContact O-CA 3.31Å; L615-K620 PolarHBondContact O-N 3.43Å; L615-K620 VanDerWaalsContact O-N 3.1Å; L615-K621 WeakPolarHBondContact CB-O 3.04Å; L615-K621 WeakPolarHBondContact CD1-O 3.29Å; L615-K621 VanDerWaalsContact CG-O 3.3Å; L615-K621 WeakPolarHBondContact CG-O 3.45Å; L615-K621 PolarHBondContact N-O 3.05Å; L615-L626 HydrophobicContact CD1-CD1 3.51Å
616	K	81.9	Confident	84.2	Confident	138 Å²	138	43 Å²	43	60%	0.6	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-34.6	178.5	-69.4	179.6	-179.5	175.1	0	112.2	R461 E614	R461-K616 VanDerWaalsContact CZ-O 3.25Å; R461-K616 PolarHBondContact NH1-O 2.91Å; R461-K616 PolarHBondContact NH2-O 2.96Å; E614-K616 PolarHBondContact O-N 3.4Å
617	N	83.9	Confident	84.4	Confident	18 Å²	18	37.2 Å²	37.2	10%	0.096	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-41.9	-178	-62	-36	0	0	0	112.4	T458 N516 N519 E543 L615 G619	T458-N617 WeakPolarHBondContact CG2-O 3.5Å; N516-N617 PolarHBondContact ND2-ND2 3.46Å; N516-N617 PolarHBondContact ND2-OD1 3.42Å; N519-N617 PolarHBondContact ND2-ND2 3.19Å; E543-N617 PolarHBondContact OE2-ND2 2.9Å; L615-N617 VanDerWaalsContact C-N 3.28Å; L615-N617 PolarHBondContact O-N 2.97Å; N617-G619 VanDerWaalsContact C-N 3.3Å; N617-G619 PolarHBondContact O-N 2.88Å
618	W	86.9	Confident	84.4	Confident	4 Å²	4	37.2 Å²	37.2	2%	0.015	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	51.4	-171.4	-58.2	98.5	0	0	0	113.1	Y455 N519 F522 L523 E543 A546 K547 V550 L615 K620 K621 L626	Y455-W618 VanDerWaalsContact CE2-C 3.48Å; Y455-W618 HydrophobicContact CE2-CB 4.35Å; Y455-W618 WeakPolarHBondContact CE2-O 3.41Å; N519-W618 HydrophobicContact CB-CZ2 4.19Å; F522-W618 HydrophobicContact CD1-CH2 4.31Å; L523-W618 HydrophobicContact CD1-CH2 4.48Å; L523-W618 HydrophobicContact CD1-CZ3 4.31Å; L523-W618 HydrophobicContact CD2-CH2 4.38Å; L523-W618 HydrophobicContact CD2-CZ3 4.1Å; L523-W618 HydrophobicContact CG-CH2 4.32Å; L523-W618 HydrophobicContact CG-CZ3 4.37Å; E543-W618 PolarHBondContact OE2-NE1 3.47Å; A546-W618 HydrophobicContact CB-CG 4.2Å; K547-W618 HydrophobicContact CG-CZ2 3.77Å; V550-W618 HydrophobicContact CB-CE3 4Å; V550-W618 HydrophobicContact CB-CH2 4.36Å; V550-W618 HydrophobicContact CB-CZ3 3.84Å; V550-W618 HydrophobicContact CG1-CE3 3.94Å; V550-W618 HydrophobicContact CG1-CH2 4.27Å; V550-W618 HydrophobicContact CG1-CZ3 3.51Å; V550-W618 HydrophobicContact CG2-CD2 3.82Å; V550-W618 HydrophobicContact CG2-CE3 3.35Å; V550-W618 HydrophobicContact CG2-CG 4.44Å; V550-W618 HydrophobicContact CG2-CH2 4.48Å; V550-W618 HydrophobicContact CG2-CZ3 3.75Å; L615-W618 HydrophobicContact CB-CB 4.03Å; L615-W618 HydrophobicContact CB-CG 4.46Å; L615-W618 HydrophobicContact CD1-CB 4.18Å; L615-W618 HydrophobicContact CD1-CG 4.4Å; W618-K620 VanDerWaalsContact C-N 3.32Å; W618-K620 PolarHBondContact O-N 2.96Å; W618-K621 WeakPolarHBondContact O-CB 3.38Å; W618-K621 PolarHBondContact O-N 3.32Å; W618-L626 HydrophobicContact CB-CD1 4.09Å; W618-L626 HydrophobicContact CG-CD1 4.46Å
619	G	78.5	Confident	84.6	Confident	9 Å²	9	36.2 Å²	36.2	9%	0.093	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.5	26.1	173.6	0	0	0	0	0	115.2	R456 N617 K621	R456-G619 VanDerWaalsContact O-CA 3.26Å; R456-G619 WeakPolarHBondContact O-CA 3.37Å; N617-G619 VanDerWaalsContact C-N 3.3Å; N617-G619 PolarHBondContact O-N 2.88Å; G619-K621 VanDerWaalsContact C-N 3.31Å; G619-K621 PolarHBondContact O-N 3.05Å
620	K	83.2	Confident	84.7	Confident	99 Å²	99	33.3 Å²	33.3	43%	0.43	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	41.6	-178.7	-65.5	-173.1	173.9	-158.4	0	112.5	E614 L615 W618	E614-K620 HydrophobicContact CG-CB 4.17Å; E614-K620 WeakPolarHBondContact OE1-CB 3.22Å; E614-K620 WeakPolarHBondContact OE1-CD 3.23Å; E614-K620 VanDerWaalsContact OE1-CG 3.28Å; E614-K620 WeakPolarHBondContact OE1-CG 3.42Å; L615-K620 VanDerWaalsContact O-CA 3.24Å; L615-K620 WeakPolarHBondContact O-CA 3.31Å; L615-K620 PolarHBondContact O-N 3.43Å; L615-K620 VanDerWaalsContact O-N 3.1Å; W618-K620 VanDerWaalsContact C-N 3.32Å; W618-K620 PolarHBondContact O-N 2.96Å
621	K	81.7	Confident	84.6	Confident	8 Å²	8	32.4 Å²	32.4	4%	0.035	16%	0.156	C	C	.	.	B	Isolated β-bridge	trans	-110.6	154.2	179.7	-65.9	-58.9	-176	-175.1	0	109.4	L615 W618 G619 S625 L626 C1077 F1081	L615-K621 WeakPolarHBondContact CB-O 3.04Å; L615-K621 WeakPolarHBondContact CD1-O 3.29Å; L615-K621 VanDerWaalsContact CG-O 3.3Å; L615-K621 WeakPolarHBondContact CG-O 3.45Å; L615-K621 PolarHBondContact N-O 3.05Å; W618-K621 WeakPolarHBondContact O-CB 3.38Å; W618-K621 PolarHBondContact O-N 3.32Å; G619-K621 VanDerWaalsContact C-N 3.31Å; G619-K621 PolarHBondContact O-N 3.05Å; K621-S625 WeakPolarHBondContact CB-OG 3.48Å; K621-L626 HydrophobicContact CB-CD2 3.87Å; K621-L626 HydrophobicContact CB-CG 4.1Å; K621-L626 HydrophobicContact CG-CD2 4.34Å; K621-C1077 PolarHBondContact NZ-O 3.35Å; K621-F1081 HydrophobicContact CD-CD2 4.21Å; K621-F1081 HydrophobicContact CD-CE2 4.21Å; K621-F1081 VanDerWaalsContact NZ-CD2 3.28Å
622	N	86.2	Confident	84.8	Confident	50 Å²	50	32.4 Å²	32.4	27%	0.267	16%	0.156	S	C	.	.			trans	-95.3	157.6	174.9	-55.2	7.8	0	0	0	109	T612 Y613 E614 I624 S625 L626	T612-N622 PolarHBondContact O-ND2 3.11Å; Y613-N622 WeakPolarHBondContact O-CA 3.46Å; Y613-N622 PolarHBondContact O-OD1 3.07Å; E614-N622 WeakPolarHBondContact CA-OD1 3.22Å; N622-I624 PolarHBondContact O-N 2.95Å; N622-S625 PolarHBondContact N-OG 2.83Å; N622-S625 WeakPolarHBondContact O-CA 3.36Å; N622-S625 PolarHBondContact O-N 3.38Å; N622-S625 PolarHBondContact O-OG 3.18Å; N622-L626 PolarHBondContact O-N 2.92Å
623	C	88.7	Confident	85.2	Confident	3 Å²	3	34.9 Å²	34.9	2%	0.02	16%	0.164	C	C	.	.	H	α-helix	trans	-54.7	-40.5	-179.1	-66.1	0	0	0	0	112.6	L545 L549 L611 S625 L626 A627	L545-C623 HydrophobicContact CD2-CB 4.32Å; L549-C623 HydrophobicContact CD1-CB 4.19Å; L549-C623 VanDerWaalsContact CD1-O 3.25Å; L549-C623 WeakPolarHBondContact CD1-O 3.06Å; L611-C623 HydrophobicContact CD2-CB 4.09Å; L611-C623 PolarHBondContact O-N 3.47Å; C623-S625 VanDerWaalsContact C-N 3.33Å; C623-S625 PolarHBondContact O-N 3.33Å; C623-L626 PolarHBondContact O-N 2.85Å; C623-A627 PolarHBondContact O-N 3.06Å
624	I	86.8	Confident	85.5	Confident	18 Å²	18	32.4 Å²	32.4	9%	0.092	16%	0.157	C	C	.	.	H	α-helix	trans	-64.7	-39.4	178.1	-65.6	171	0	0	0	111.7	L611 N622 A627 A628 L644 F1019	L611-I624 HydrophobicContact CB-CD1 3.8Å; L611-I624 HydrophobicContact CB-CG1 3.94Å; L611-I624 HydrophobicContact CD1-CD1 4.34Å; L611-I624 HydrophobicContact CD2-CG1 4.04Å; L611-I624 HydrophobicContact CG-CG1 4.4Å; N622-I624 PolarHBondContact O-N 2.95Å; I624-A627 PolarHBondContact O-N 2.92Å; I624-A628 PolarHBondContact O-N 2.87Å; I624-L644 HydrophobicContact CD1-CD2 3.1Å; I624-F1019 HydrophobicContact CG2-CD2 3.76Å; I624-F1019 HydrophobicContact CG2-CE2 3.19Å; I624-F1019 HydrophobicContact CG2-CZ 3.88Å
625	S	85.3	Confident	86	Confident	15 Å²	15	28.1 Å²	28.1	11%	0.105	14%	0.137	C	C	.	.	H	α-helix	trans	-65.7	-41.5	175.3	73.6	0	0	0	0	110.9	K621 N622 C623 A627 A628 L629 F1081	K621-S625 WeakPolarHBondContact CB-OG 3.48Å; N622-S625 PolarHBondContact N-OG 2.83Å; N622-S625 WeakPolarHBondContact O-CA 3.36Å; N622-S625 PolarHBondContact O-N 3.38Å; N622-S625 PolarHBondContact O-OG 3.18Å; C623-S625 VanDerWaalsContact C-N 3.33Å; C623-S625 PolarHBondContact O-N 3.33Å; S625-A627 VanDerWaalsContact C-N 3.31Å; S625-A627 PolarHBondContact O-N 3.37Å; S625-A628 WeakPolarHBondContact O-CB 3.27Å; S625-A628 PolarHBondContact O-N 3.47Å; S625-A628 VanDerWaalsContact O-N 3.1Å; S625-L629 WeakPolarHBondContact O-CG 3.38Å; S625-L629 PolarHBondContact O-N 3.49Å; S625-F1081 VanDerWaalsContact O-CZ 3.24Å; S625-F1081 WeakPolarHBondContact O-CZ 3.38Å
626	L	87.7	Confident	86.2	Confident	2 Å²	2	27.9 Å²	27.9	1%	0.01	14%	0.136	C	C	.	.	H	α-helix	trans	-60.5	-40.2	173.8	-65.8	177.1	0	0	0	112.1	M451 A546 L549 V550 L615 W618 K621 N622 C623 A628 L629 G630	M451-L626 HydrophobicContact CE-CD2 4.25Å; A546-L626 HydrophobicContact CB-CD1 4.2Å; L549-L626 HydrophobicContact CB-CB 4.13Å; L549-L626 HydrophobicContact CD1-CB 4.19Å; V550-L626 HydrophobicContact CG2-CD1 4.03Å; V550-L626 HydrophobicContact CG2-CD2 4.26Å; L615-L626 HydrophobicContact CD1-CD1 3.51Å; W618-L626 HydrophobicContact CB-CD1 4.09Å; W618-L626 HydrophobicContact CG-CD1 4.46Å; K621-L626 HydrophobicContact CB-CD2 3.87Å; K621-L626 HydrophobicContact CB-CG 4.1Å; K621-L626 HydrophobicContact CG-CD2 4.34Å; N622-L626 PolarHBondContact O-N 2.92Å; C623-L626 PolarHBondContact O-N 2.85Å; L626-A628 VanDerWaalsContact C-N 3.33Å; L626-A628 PolarHBondContact O-N 3.31Å; L626-L629 HydrophobicContact CD2-CD1 4.22Å; L626-L629 WeakPolarHBondContact O-CB 2.92Å; L626-L629 PolarHBondContact O-N 2.76Å; L626-G630 PolarHBondContact O-N 3.46Å
627	A	90.1	Very high	86.5	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-64.1	-37.1	174.8	0	0	0	0	0	112.6	L549 C623 I624 S625 G630 N631 N632 F635 I636	L549-A627 HydrophobicContact CD1-CB 4.18Å; L549-A627 HydrophobicContact CD2-CB 3.92Å; C623-A627 PolarHBondContact O-N 3.06Å; I624-A627 PolarHBondContact O-N 2.92Å; S625-A627 VanDerWaalsContact C-N 3.31Å; S625-A627 PolarHBondContact O-N 3.37Å; A627-G630 PolarHBondContact O-N 3.34Å; A627-N631 PolarHBondContact O-N 3.49Å; A627-N631 VanDerWaalsContact O-N 3.12Å; A627-N632 PolarHBondContact O-N 3.48Å; A627-F635 HydrophobicContact CB-CB 4.43Å; A627-F635 HydrophobicContact CB-CD1 3.37Å; A627-F635 HydrophobicContact CB-CE1 3.83Å; A627-F635 HydrophobicContact CB-CG 4.08Å; A627-I636 HydrophobicContact CB-CD1 4.43Å; A627-I636 HydrophobicContact CB-CG1 4.23Å
628	A	85.8	Confident	86.9	Confident	8 Å²	8	21.8 Å²	21.8	7%	0.066	11%	0.11	C	C	.	.	H	α-helix	trans	-67.2	-41.6	174.5	0	0	0	0	0	112	I624 S625 L626 G630 N631 I636 F1019 F1081	I624-A628 PolarHBondContact O-N 2.87Å; S625-A628 WeakPolarHBondContact O-CB 3.27Å; S625-A628 PolarHBondContact O-N 3.47Å; S625-A628 VanDerWaalsContact O-N 3.1Å; L626-A628 VanDerWaalsContact C-N 3.33Å; L626-A628 PolarHBondContact O-N 3.31Å; A628-G630 VanDerWaalsContact C-N 3.31Å; A628-G630 PolarHBondContact O-N 3.16Å; A628-N631 PolarHBondContact O-N 2.96Å; A628-I636 HydrophobicContact CB-CD1 4.22Å; A628-F1019 HydrophobicContact CB-CD1 4.27Å; A628-F1019 HydrophobicContact CB-CE1 3.53Å; A628-F1019 HydrophobicContact CB-CZ 4.02Å; A628-F1081 HydrophobicContact CB-CE1 4.37Å; A628-F1081 HydrophobicContact CB-CZ 4.34Å
629	L	85.5	Confident	87.1	Confident	11 Å²	11	24.6 Å²	24.6	6%	0.058	13%	0.129	C	C	.	.	H	α-helix	trans	-58.3	-42.5	171.8	-69.8	-178.4	0	0	0	112.3	K553 S625 L626 N631 F1081 I1085	K553-L629 PolarHBondContact NZ-O 3.26Å; S625-L629 WeakPolarHBondContact O-CG 3.38Å; S625-L629 PolarHBondContact O-N 3.49Å; L626-L629 HydrophobicContact CD2-CD1 4.22Å; L626-L629 WeakPolarHBondContact O-CB 2.92Å; L626-L629 PolarHBondContact O-N 2.76Å; L629-N631 PolarHBondContact O-N 3.12Å; L629-F1081 HydrophobicContact CD1-CD2 4.44Å; L629-F1081 HydrophobicContact CD1-CE2 3.63Å; L629-F1081 HydrophobicContact CD1-CZ 4.31Å; L629-F1081 HydrophobicContact CD2-CD2 3.73Å; L629-F1081 HydrophobicContact CD2-CE1 4.22Å; L629-F1081 HydrophobicContact CD2-CE2 3.16Å; L629-F1081 HydrophobicContact CD2-CG 4.49Å; L629-F1081 HydrophobicContact CD2-CZ 3.41Å; L629-F1081 VanDerWaalsContact CD2-CZ 3.41Å; L629-F1081 HydrophobicContact CG-CD2 4.21Å; L629-F1081 HydrophobicContact CG-CE2 3.22Å; L629-F1081 HydrophobicContact CG-CZ 3.44Å; L629-F1081 VanDerWaalsContact CG-CZ 3.44Å; L629-I1085 HydrophobicContact CD2-CD1 4.16Å; L629-I1085 HydrophobicContact CD2-CG1 3.86Å
630	G	83.8	Confident	87.5	Confident	1 Å²	1	24.2 Å²	24.2	1%	0.01	13%	0.125	C	C	.	.	H	α-helix	trans	-63.7	-21.3	173.4	0	0	0	0	0	113.8	Y552 K556 L626 A627 A628 N632	Y552-G630 WeakPolarHBondContact CE1-O 3.3Å; Y552-G630 PolarHBondContact OH-O 2.89Å; K556-G630 PolarHBondContact NZ-O 3.26Å; L626-G630 PolarHBondContact O-N 3.46Å; A627-G630 PolarHBondContact O-N 3.34Å; A628-G630 VanDerWaalsContact C-N 3.31Å; A628-G630 PolarHBondContact O-N 3.16Å; G630-N632 PolarHBondContact O-N 2.69Å
631	N	85.8	Confident	87.8	Confident	52 Å²	52	19.6 Å²	19.6	28%	0.278	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	52.2	-162.4	-174.7	-5.4	0	0	0	109.5	Y552 A627 A628 L629 K633	Y552-N631 PolarHBondContact OH-O 3.31Å; A627-N631 PolarHBondContact O-N 3.49Å; A627-N631 VanDerWaalsContact O-N 3.12Å; A628-N631 PolarHBondContact O-N 2.96Å; L629-N631 PolarHBondContact O-N 3.12Å; N631-K633 PolarHBondContact O-N 2.85Å; N631-K633 VanDerWaalsContact OD1-CE 3.27Å; N631-K633 WeakPolarHBondContact OD1-CE 3.41Å; N631-K633 WeakPolarHBondContact OD1-CG 3.48Å
632	N	89.3	Confident	88.1	Confident	1 Å²	1	20.3 Å²	20.3	1%	0.005	11%	0.108	C	C	.	.			trans	-87	87.2	174.3	-167.9	-8.8	0	0	0	109.6	Y552 S592 A627 G630 E634 F635 I636	Y552-N632 HydrophobicContact CD1-CB 4.1Å; Y552-N632 HydrophobicContact CE1-CB 3.58Å; S592-N632 PolarHBondContact OG-ND2 2.67Å; A627-N632 PolarHBondContact O-N 3.48Å; G630-N632 PolarHBondContact O-N 2.69Å; N632-E634 VanDerWaalsContact C-N 3.31Å; N632-E634 PolarHBondContact O-N 2.88Å; N632-F635 HydrophobicContact CB-CB 4Å; N632-F635 VanDerWaalsContact CG-CB 3.46Å; N632-F635 WeakPolarHBondContact ND2-CB 3.36Å; N632-F635 PolarHBondContact O-N 3.03Å; N632-F635 PolarHBondContact OD1-N 3.34Å; N632-I636 PolarHBondContact O-N 3.32Å
633	K	87.9	Confident	87.9	Confident	77 Å²	77	20.9 Å²	20.9	34%	0.335	11%	0.114	S	C	.	.	H	α-helix	trans	-64.1	-35	-175.8	-60	176.5	-176.2	172	0	112.9	N631 A637 L1012 Y1016	N631-K633 PolarHBondContact O-N 2.85Å; N631-K633 VanDerWaalsContact OD1-CE 3.27Å; N631-K633 WeakPolarHBondContact OD1-CE 3.41Å; N631-K633 WeakPolarHBondContact OD1-CG 3.48Å; K633-A637 WeakPolarHBondContact O-CB 3.46Å; K633-A637 PolarHBondContact O-N 2.84Å; K633-L1012 HydrophobicContact CB-CD2 4.06Å; K633-L1012 HydrophobicContact CB-CG 4.22Å; K633-Y1016 HydrophobicContact CG-CD2 4.12Å; K633-Y1016 HydrophobicContact CG-CG 4.14Å
634	E	89.7	Confident	87.6	Confident	70 Å²	70	21.4 Å²	21.4	33%	0.327	12%	0.116	S	C	.	.	H	α-helix	trans	-66.8	-45.2	-180	-70.2	170.5	-169	0	0	111	R589 N593 N632 I636 A637 H638 L1012	R589-E634 IonicContact CZ-OE1 2.89Å; R589-E634 VanDerWaalsContact CZ-OE1 3.28Å; R589-E634 IonicContact CZ-OE2 3.31Å; R589-E634 IonicContact NE-OE2 3.23Å; R589-E634 VanDerWaalsContact NH1-CD 3.27Å; R589-E634 IonicContact NH1-OE1 3.82Å; R589-E634 PolarHBondContact NH1-OE1 3.44Å; R589-E634 IonicContact NH1-OE2 2.7Å; R589-E634 PolarHBondContact NH1-OE2 2.91Å; R589-E634 IonicContact NH2-OE1 2.77Å; R589-E634 IonicContact NH2-OE2 2.98Å; N593-E634 WeakPolarHBondContact ND2-CB 3.07Å; N593-E634 PolarHBondContact ND2-OE2 3.18Å; N632-E634 VanDerWaalsContact C-N 3.31Å; N632-E634 PolarHBondContact O-N 2.88Å; E634-I636 PolarHBondContact O-N 3.33Å; E634-A637 PolarHBondContact O-N 3.19Å; E634-H638 PolarHBondContact O-N 3.41Å; E634-L1012 HydrophobicContact CG-CD2 4.48Å
635	F	92.5	Very high	87.2	Confident	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-62.2	-44.8	178.4	-169.6	-86.6	0	0	0	112.6	L545 L549 S592 N593 L596 L611 A627 N632 A637 H638 C641	L545-F635 HydrophobicContact CD1-CE2 3.81Å; L545-F635 HydrophobicContact CD1-CZ 4.07Å; L545-F635 HydrophobicContact CD2-CZ 4.38Å; L545-F635 HydrophobicContact CG-CZ 4.38Å; L549-F635 HydrophobicContact CD1-CE1 4.19Å; L549-F635 HydrophobicContact CD1-CE2 4.35Å; L549-F635 HydrophobicContact CD1-CZ 3.93Å; L549-F635 HydrophobicContact CD2-CD1 4.42Å; L549-F635 HydrophobicContact CD2-CD2 3.96Å; L549-F635 HydrophobicContact CD2-CE2 4.04Å; L549-F635 HydrophobicContact CD2-CG 4.14Å; L549-F635 HydrophobicContact CD2-CZ 4.31Å; L549-F635 HydrophobicContact CG-CE2 4.49Å; S592-F635 WeakPolarHBondContact O-CE2 3.46Å; N593-F635 VanDerWaalsContact OD1-CA 3.25Å; N593-F635 WeakPolarHBondContact OD1-CA 3.23Å; N593-F635 WeakPolarHBondContact OD1-CB 3.41Å; N593-F635 PolarHBondContact OD1-N 3.05Å; L596-F635 HydrophobicContact CB-CE2 3.92Å; L596-F635 HydrophobicContact CB-CZ 4.46Å; L596-F635 HydrophobicContact CD2-CD1 4.33Å; L596-F635 HydrophobicContact CD2-CD2 3.94Å; L596-F635 HydrophobicContact CD2-CE1 4.09Å; L596-F635 HydrophobicContact CD2-CE2 3.68Å; L596-F635 HydrophobicContact CD2-CG 4.26Å; L596-F635 HydrophobicContact CD2-CZ 3.76Å; L596-F635 HydrophobicContact CG-CE2 4.31Å; L596-F635 HydrophobicContact CG-CZ 4.47Å; L611-F635 HydrophobicContact CD2-CE1 3.87Å; L611-F635 HydrophobicContact CD2-CZ 3.84Å; A627-F635 HydrophobicContact CB-CB 4.43Å; A627-F635 HydrophobicContact CB-CD1 3.37Å; A627-F635 HydrophobicContact CB-CE1 3.83Å; A627-F635 HydrophobicContact CB-CG 4.08Å; N632-F635 HydrophobicContact CB-CB 4Å; N632-F635 VanDerWaalsContact CG-CB 3.46Å; N632-F635 WeakPolarHBondContact ND2-CB 3.36Å; N632-F635 PolarHBondContact O-N 3.03Å; N632-F635 PolarHBondContact OD1-N 3.34Å; F635-A637 VanDerWaalsContact C-N 3.3Å; F635-A637 PolarHBondContact O-N 3.15Å; F635-H638 WeakPolarHBondContact O-CB 3.5Å; F635-H638 PolarHBondContact O-N 3.26Å; F635-C641 PolarHBondContact O-SG 3.46Å
636	I	89.4	Confident	87	Confident	1 Å²	1	21.6 Å²	21.6	1%	0.005	12%	0.121	C	C	.	.	H	α-helix	trans	-70.7	-29	178.6	-69.2	164.7	0	0	0	111.5	A627 A628 N632 E634 H638 C641 Q642 Y1016 F1019	A627-I636 HydrophobicContact CB-CD1 4.43Å; A627-I636 HydrophobicContact CB-CG1 4.23Å; A628-I636 HydrophobicContact CB-CD1 4.22Å; N632-I636 PolarHBondContact O-N 3.32Å; E634-I636 PolarHBondContact O-N 3.33Å; I636-H638 PolarHBondContact O-N 3.11Å; I636-C641 WeakPolarHBondContact O-CB 3.27Å; I636-Q642 PolarHBondContact O-NE2 3.38Å; I636-Y1016 HydrophobicContact CB-CD2 4.24Å; I636-Y1016 HydrophobicContact CD1-CD2 3.55Å; I636-Y1016 HydrophobicContact CD1-CE2 3.48Å; I636-Y1016 VanDerWaalsContact CD1-CE2 3.48Å; I636-Y1016 HydrophobicContact CG1-CD2 4.49Å; I636-Y1016 HydrophobicContact CG2-CD2 4.29Å; I636-F1019 HydrophobicContact CG2-CB 3.77Å; I636-F1019 HydrophobicContact CG2-CG 4.28Å
637	A	88.9	Confident	86.3	Confident	8 Å²	8	22.9 Å²	22.9	7%	0.066	13%	0.128	C	C	.	.	H	α-helix	trans	-76.3	-9	176.6	0	0	0	0	0	114.3	K633 E634 F635 L1012 K1015	K633-A637 WeakPolarHBondContact O-CB 3.46Å; K633-A637 PolarHBondContact O-N 2.84Å; E634-A637 PolarHBondContact O-N 3.19Å; F635-A637 VanDerWaalsContact C-N 3.3Å; F635-A637 PolarHBondContact O-N 3.15Å; A637-L1012 HydrophobicContact CB-CD1 3.36Å; A637-L1012 HydrophobicContact CB-CG 4.44Å; A637-K1015 HydrophobicContact CB-CB 3.98Å; A637-K1015 HydrophobicContact CB-CD 3.67Å; A637-K1015 PolarHBondContact O-NZ 3.35Å; A637-K1015 VanDerWaalsContact O-NZ 3.09Å
638	H	91.6	Very high	85.5	Confident	20 Å²	20	24.7 Å²	24.7	9%	0.093	14%	0.137	C	C	.	.	S	Bend	trans	-58.4	142.8	177.4	-173.4	-95.1	0	0	0	111.4	L596 Y600 E634 F635 I636 S640 C641 Q642	L596-H638 HydrophobicContact CD2-CB 3.67Å; L596-H638 VanDerWaalsContact CD2-CG 3.49Å; L596-H638 WeakPolarHBondContact CD2-ND1 3.48Å; Y600-H638 AromaticContact CD1-CE1 3.95Å; Y600-H638 AromaticContact CG-CE1 3.8Å; E634-H638 PolarHBondContact O-N 3.41Å; F635-H638 WeakPolarHBondContact O-CB 3.5Å; F635-H638 PolarHBondContact O-N 3.26Å; I636-H638 PolarHBondContact O-N 3.11Å; H638-S640 VanDerWaalsContact C-N 3.3Å; H638-S640 WeakPolarHBondContact ND1-CB 3.27Å; H638-S640 PolarHBondContact ND1-N 3.43Å; H638-S640 VanDerWaalsContact ND1-N 3.19Å; H638-S640 PolarHBondContact O-N 2.89Å; H638-C641 PolarHBondContact O-N 3.32Å; H638-Q642 WeakPolarHBondContact O-CG 3.44Å; H638-Q642 PolarHBondContact O-N 3.41Å; H638-Q642 VanDerWaalsContact O-N 3.11Å
639	P	90	Very high	85	Confident	64 Å²	64	28.4 Å²	28.4	42%	0.416	15%	0.149	S	C	.	.	H	α-helix	trans	-51.9	-42.6	-178.8	-29.7	36.8	0	0	0	114.4	Y600 C641 Q642 V643	Y600-P639 HydrophobicContact CE1-CB 4.13Å; P639-C641 PolarHBondContact O-N 3.1Å; P639-Q642 PolarHBondContact O-N 2.99Å; P639-Q642 VanDerWaalsContact O-N 3.12Å; P639-V643 WeakPolarHBondContact O-CG2 3.36Å; P639-V643 PolarHBondContact O-N 3.31Å
640	S	88.1	Confident	84.2	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-56.1	-52	178.3	-177.1	0	0	0	0	112.5	T607 L611 H638 Q642 V643 L644	T607-S640 WeakPolarHBondContact CG2-OG 3.25Å; L611-S640 WeakPolarHBondContact CD1-OG 3.35Å; H638-S640 VanDerWaalsContact C-N 3.3Å; H638-S640 WeakPolarHBondContact ND1-CB 3.27Å; H638-S640 PolarHBondContact ND1-N 3.43Å; H638-S640 VanDerWaalsContact ND1-N 3.19Å; H638-S640 PolarHBondContact O-N 2.89Å; S640-Q642 VanDerWaalsContact C-N 3.27Å; S640-Q642 PolarHBondContact O-N 2.91Å; S640-V643 PolarHBondContact O-N 2.94Å; S640-L644 PolarHBondContact O-N 3.38Å
641	C	88.4	Confident	83.5	Confident	2 Å²	2	31 Å²	31	1%	0.014	17%	0.169	C	C	.	.	H	α-helix	trans	-60.2	-37.3	176.2	-61.6	0	0	0	0	112	F635 I636 H638 P639 L645	F635-C641 PolarHBondContact O-SG 3.46Å; I636-C641 WeakPolarHBondContact O-CB 3.27Å; H638-C641 PolarHBondContact O-N 3.32Å; P639-C641 PolarHBondContact O-N 3.1Å; C641-L645 WeakPolarHBondContact O-CB 3.45Å; C641-L645 VanDerWaalsContact O-CG 3.26Å; C641-L645 WeakPolarHBondContact O-CG 3.24Å; C641-L645 PolarHBondContact O-N 2.93Å
642	Q	87.8	Confident	82.5	Confident	23 Å²	23	29 Å²	29	11%	0.107	16%	0.161	C	C	.	.	H	α-helix	trans	-74.4	-33.7	-179.2	-67.2	-63.6	-49.6	0	0	113.4	I636 H638 P639 S640 A646 K1015	I636-Q642 PolarHBondContact O-NE2 3.38Å; H638-Q642 WeakPolarHBondContact O-CG 3.44Å; H638-Q642 PolarHBondContact O-N 3.41Å; H638-Q642 VanDerWaalsContact O-N 3.11Å; P639-Q642 PolarHBondContact O-N 2.99Å; P639-Q642 VanDerWaalsContact O-N 3.12Å; S640-Q642 VanDerWaalsContact C-N 3.27Å; S640-Q642 PolarHBondContact O-N 2.91Å; Q642-A646 WeakPolarHBondContact O-CB 3.49Å; Q642-A646 PolarHBondContact O-N 3.49Å; Q642-K1015 HydrophobicContact CG-CD 4.31Å; Q642-K1015 PolarHBondContact NE2-O 3.08Å; Q642-K1015 VanDerWaalsContact NE2-O 3.11Å
643	V	83.7	Confident	81.6	Confident	63 Å²	63	30 Å²	30	38%	0.382	17%	0.166	S	C	.	.	H	α-helix	trans	-67.5	-44.4	171.7	174.2	0	0	0	0	109.4	M608 P639 S640 L645 A646 D647	M608-V643 HydrophobicContact CE-CB 4.4Å; M608-V643 HydrophobicContact CE-CG1 3.79Å; M608-V643 HydrophobicContact SD-CG1 4.21Å; P639-V643 WeakPolarHBondContact O-CG2 3.36Å; P639-V643 PolarHBondContact O-N 3.31Å; S640-V643 PolarHBondContact O-N 2.94Å; V643-L645 PolarHBondContact O-N 3.04Å; V643-A646 WeakPolarHBondContact O-CB 3.26Å; V643-A646 PolarHBondContact O-N 3.03Å; V643-A646 VanDerWaalsContact O-N 3.15Å; V643-D647 WeakPolarHBondContact O-CB 3.26Å; V643-D647 PolarHBondContact O-N 3.3Å
644	L	81.8	Confident	80.6	Confident	14 Å²	14	26.9 Å²	26.9	7%	0.073	16%	0.156	C	C	.	.	H	α-helix	trans	-61.4	-44.8	175.7	-177.3	76.4	0	0	0	111.6	M608 T612 I624 S640 A646 D647 L648	M608-L644 HydrophobicContact CB-CD1 4.36Å; M608-L644 VanDerWaalsContact CE-CA 3.42Å; M608-L644 HydrophobicContact CE-CB 3.74Å; M608-L644 HydrophobicContact CE-CD1 3.79Å; M608-L644 HydrophobicContact CE-CG 4.38Å; T612-L644 HydrophobicContact CG2-CD1 3.87Å; T612-L644 HydrophobicContact CG2-CD2 3.52Å; T612-L644 HydrophobicContact CG2-CG 4.3Å; I624-L644 HydrophobicContact CD1-CD2 3.1Å; S640-L644 PolarHBondContact O-N 3.38Å; L644-A646 VanDerWaalsContact C-N 3.28Å; L644-A646 PolarHBondContact O-N 3.04Å; L644-D647 CarbonylContact O-C 3.56Å; L644-D647 WeakPolarHBondContact O-CA 3.24Å; L644-D647 WeakPolarHBondContact O-CB 3.49Å; L644-D647 PolarHBondContact O-N 2.97Å; L644-L648 HydrophobicContact CD2-CD1 4.48Å; L644-L648 HydrophobicContact CG-CD1 4.15Å; L644-L648 HydrophobicContact CG-CG 4.47Å; L644-L648 WeakPolarHBondContact O-CB 3.4Å; L644-L648 WeakPolarHBondContact O-CG 3.33Å; L644-L648 PolarHBondContact O-N 3.4Å
645	L	79.2	Confident	79.5	Confident	4 Å²	4	28.4 Å²	28.4	2%	0.021	17%	0.165	C	C	.	.	H	α-helix	trans	-63	-33.9	175.1	-78.7	171.7	0	0	0	113.1	C641 V643 D647 L648 W649 F1019 V1022	C641-L645 WeakPolarHBondContact O-CB 3.45Å; C641-L645 VanDerWaalsContact O-CG 3.26Å; C641-L645 WeakPolarHBondContact O-CG 3.24Å; C641-L645 PolarHBondContact O-N 2.93Å; V643-L645 PolarHBondContact O-N 3.04Å; L645-D647 VanDerWaalsContact C-N 3.33Å; L645-L648 HydrophobicContact CD2-CD1 4.38Å; L645-W649 VanDerWaalsContact O-CB 3.27Å; L645-W649 WeakPolarHBondContact O-CB 3.34Å; L645-W649 PolarHBondContact O-N 3.42Å; L645-F1019 HydrophobicContact CD1-CB 3.82Å; L645-F1019 HydrophobicContact CD1-CD2 4.2Å; L645-F1019 HydrophobicContact CD2-CB 4.41Å; L645-F1019 HydrophobicContact CD2-CD2 3.83Å; L645-F1019 HydrophobicContact CG-CD2 4.43Å; L645-V1022 HydrophobicContact CD2-CB 4Å; L645-V1022 HydrophobicContact CD2-CG1 3.96Å; L645-V1022 HydrophobicContact CD2-CG2 4.41Å
646	A	79.2	Confident	78.3	Confident	32 Å²	32	37.4 Å²	37.4	26%	0.264	20%	0.199	S	C	.	.	H	α-helix	trans	-68.9	-36.6	172.2	0	0	0	0	0	111.1	Q642 V643 L644 W649 M650	Q642-A646 WeakPolarHBondContact O-CB 3.49Å; Q642-A646 PolarHBondContact O-N 3.49Å; V643-A646 WeakPolarHBondContact O-CB 3.26Å; V643-A646 PolarHBondContact O-N 3.03Å; V643-A646 VanDerWaalsContact O-N 3.15Å; L644-A646 VanDerWaalsContact C-N 3.28Å; L644-A646 PolarHBondContact O-N 3.04Å; A646-W649 PolarHBondContact O-N 3.33Å; A646-M650 VanDerWaalsContact O-CG 3.26Å; A646-M650 WeakPolarHBondContact O-CG 3.44Å; A646-M650 PolarHBondContact O-N 3.35Å; A646-M650 VanDerWaalsContact O-N 3.07Å
647	D	74.5	Confident	77.2	Confident	30 Å²	30	45.6 Å²	45.6	16%	0.16	24%	0.235	C	C	.	.	H	α-helix	trans	-69.4	-42.3	178.5	-162	56.5	0	0	0	112.7	M608 V643 L644 L645 M650 G651 I655 K679 Q687	M608-D647 HydrophobicContact CE-CB 4.49Å; V643-D647 WeakPolarHBondContact O-CB 3.26Å; V643-D647 PolarHBondContact O-N 3.3Å; L644-D647 CarbonylContact O-C 3.56Å; L644-D647 WeakPolarHBondContact O-CA 3.24Å; L644-D647 WeakPolarHBondContact O-CB 3.49Å; L644-D647 PolarHBondContact O-N 2.97Å; L645-D647 VanDerWaalsContact C-N 3.33Å; D647-M650 PolarHBondContact O-N 2.67Å; D647-G651 PolarHBondContact O-N 3.06Å; D647-I655 HydrophobicContact CB-CD1 4.26Å; D647-K679 PolarHBondContact O-NZ 2.96Å; D647-K679 VanDerWaalsContact OD1-CE 3.24Å; D647-K679 WeakPolarHBondContact OD1-CE 3.27Å; D647-K679 IonicContact OD1-NZ 3.38Å; D647-K679 PolarHBondContact OD1-NZ 3.25Å; D647-K679 IonicContact OD2-NZ 3.67Å; D647-K679 PolarHBondContact OD2-NZ 3.46Å; D647-Q687 PolarHBondContact OD2-NE2 3.18Å
648	L	72.7	Confident	76.3	Confident	37 Å²	37	51 Å²	51	19%	0.194	26%	0.263	C	S	.	.	H	α-helix	trans	-60.3	-44.6	170.9	-72.5	168.5	0	0	0	111.2	L644 L645 M650 G651 V1022	L644-L648 HydrophobicContact CD2-CD1 4.48Å; L644-L648 HydrophobicContact CG-CD1 4.15Å; L644-L648 HydrophobicContact CG-CG 4.47Å; L644-L648 WeakPolarHBondContact O-CB 3.4Å; L644-L648 WeakPolarHBondContact O-CG 3.33Å; L644-L648 PolarHBondContact O-N 3.4Å; L645-L648 HydrophobicContact CD2-CD1 4.38Å; L648-M650 VanDerWaalsContact C-N 3.33Å; L648-M650 PolarHBondContact O-N 2.98Å; L648-G651 PolarHBondContact O-N 2.96Å; L648-G651 VanDerWaalsContact O-N 3.13Å; L648-V1022 HydrophobicContact CB-CG1 4.14Å
649	W	74.6	Confident	75.3	Confident	86 Å²	86	50.4 Å²	50.4	33%	0.326	26%	0.26	S	S	.	.	H	α-helix	trans	-62.4	-36.6	177.8	178.7	-98.4	0	0	0	113.6	L645 A646 G651 I789 V895 V1022 Y1025	L645-W649 VanDerWaalsContact O-CB 3.27Å; L645-W649 WeakPolarHBondContact O-CB 3.34Å; L645-W649 PolarHBondContact O-N 3.42Å; A646-W649 PolarHBondContact O-N 3.33Å; W649-G651 VanDerWaalsContact C-N 3.28Å; W649-I789 HydrophobicContact CZ2-CD1 4.29Å; W649-V895 HydrophobicContact CD2-CG1 3.51Å; W649-V895 VanDerWaalsContact CE2-CG1 3.45Å; W649-V895 HydrophobicContact CE3-CG1 3.6Å; W649-V895 HydrophobicContact CG-CG1 4.27Å; W649-V895 HydrophobicContact CH2-CB 3.8Å; W649-V895 HydrophobicContact CH2-CG1 3.55Å; W649-V895 HydrophobicContact CH2-CG2 3.58Å; W649-V895 HydrophobicContact CZ2-CB 3.89Å; W649-V895 HydrophobicContact CZ2-CG1 3.47Å; W649-V895 VanDerWaalsContact CZ2-CG1 3.47Å; W649-V895 HydrophobicContact CZ2-CG2 4.19Å; W649-V895 HydrophobicContact CZ3-CB 4.2Å; W649-V895 HydrophobicContact CZ3-CG1 3.62Å; W649-V895 HydrophobicContact CZ3-CG2 3.79Å; W649-V1022 HydrophobicContact CB-CG2 4.47Å; W649-V1022 HydrophobicContact CE3-CG2 4.05Å; W649-Y1025 HydrophobicContact CH2-CD2 4.21Å; W649-Y1025 HydrophobicContact CH2-CE2 4.43Å; W649-Y1025 AromaticContact CZ3-CD2 3.71Å; W649-Y1025 HydrophobicContact CZ3-CD2 3.71Å; W649-Y1025 HydrophobicContact CZ3-CE2 4.34Å; W649-Y1025 HydrophobicContact CZ3-CG 4.03Å
650	M	70.2	Confident	74.4	Confident	39 Å²	39	53.8 Å²	53.8	19%	0.192	28%	0.275	C	S	.	.	H	α-helix	trans	-77.3	-15.1	177.9	-66.1	-59.4	-60.4	0	0	112.8	A646 D647 L648 G652 L653 I655 V659	A646-M650 VanDerWaalsContact O-CG 3.26Å; A646-M650 WeakPolarHBondContact O-CG 3.44Å; A646-M650 PolarHBondContact O-N 3.35Å; A646-M650 VanDerWaalsContact O-N 3.07Å; D647-M650 PolarHBondContact O-N 2.67Å; L648-M650 VanDerWaalsContact C-N 3.33Å; L648-M650 PolarHBondContact O-N 2.98Å; M650-G652 PolarHBondContact O-N 3.49Å; M650-L653 HydrophobicContact CE-CB 4.04Å; M650-L653 WeakPolarHBondContact O-CB 3.5Å; M650-L653 PolarHBondContact O-N 2.53Å; M650-L653 VanDerWaalsContact O-N 3.12Å; M650-I655 HydrophobicContact CG-CG1 4.06Å; M650-V659 HydrophobicContact CE-CB 4.45Å; M650-V659 HydrophobicContact CE-CG1 3.54Å
651	G	68.7	Low	73.8	Confident	29 Å²	29	58.9 Å²	58.9	30%	0.299	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.1	-128.8	-176.7	0	0	0	0	0	111.6	D647 L648 W649 L653 K679	D647-G651 PolarHBondContact O-N 3.06Å; L648-G651 PolarHBondContact O-N 2.96Å; L648-G651 VanDerWaalsContact O-N 3.13Å; W649-G651 VanDerWaalsContact C-N 3.28Å; G651-L653 PolarHBondContact O-N 2.85Å; G651-K679 WeakPolarHBondContact O-CE 3.37Å; G651-K679 PolarHBondContact O-NZ 2.96Å
652	G	64.6	Low	73.2	Confident	10 Å²	10	62.7 Å²	62.7	10%	0.103	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-1.5	178.9	0	0	0	0	0	116	M650 K679	M650-G652 PolarHBondContact O-N 3.49Å; G652-K679 PolarHBondContact O-N 3.07Å
653	L	69.8	Low	72.5	Confident	21 Å²	21	63.4 Å²	63.4	11%	0.11	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-84.5	137.1	177.7	-67.7	154	0	0	0	111.3	M650 G651 V663 L676 F678 K679	M650-L653 HydrophobicContact CE-CB 4.04Å; M650-L653 WeakPolarHBondContact O-CB 3.5Å; M650-L653 PolarHBondContact O-N 2.53Å; M650-L653 VanDerWaalsContact O-N 3.12Å; G651-L653 PolarHBondContact O-N 2.85Å; L653-V663 HydrophobicContact CD1-CG2 4.41Å; L653-L676 HydrophobicContact CD2-CB 4.28Å; L653-L676 HydrophobicContact CD2-CD1 4.19Å; L653-F678 HydrophobicContact CD2-CE1 4.25Å; L653-K679 WeakPolarHBondContact O-CE 3.45Å
654	G	68.2	Low	72	Confident	12 Å²	12	66.1 Å²	66.1	12%	0.124	34%	0.336	C	S	.	.			trans	-75	135.2	177	0	0	0	0	0	113.2	R656 V659 P677	G654-R656 PolarHBondContact O-N 3.44Å; G654-R656 VanDerWaalsContact O-N 3.16Å; G654-V659 WeakPolarHBondContact O-CG2 3.45Å; G654-P677 PolarHBondContact N-O 3.47Å
655	I	66.4	Low	71.7	Confident	102 Å²	102	68.7 Å²	68.7	52%	0.523	35%	0.349	S	S	.	.			trans	-73.2	103.9	177.2	-56.9	164.4	0	0	0	109.8	D647 M650	D647-I655 HydrophobicContact CB-CD1 4.26Å; M650-I655 HydrophobicContact CG-CG1 4.06Å
656	R	66.7	Low	71.4	Confident	189 Å²	189	68.5 Å²	68.5	71%	0.713	35%	0.348	S	S	*	.			trans	-136	168.5	172.9	-75.8	-167.7	179.5	-172.6	2.7	112.1	G654 V659	G654-R656 PolarHBondContact O-N 3.44Å; G654-R656 VanDerWaalsContact O-N 3.16Å; R656-V659 HydrophobicContact CB-CG2 3.93Å; R656-V659 WeakPolarHBondContact O-CG2 3.39Å
657	K	66.2	Low	70.9	Confident	172 Å²	172	69.4 Å²	69.4	75%	0.748	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	139.2	171	-65.7	-174	178.5	-174.5	0	109.4	V659	K657-V659 VanDerWaalsContact C-N 3.3Å; K657-V659 PolarHBondContact O-N 3.15Å
658	N	69.8	Low	70.8	Confident	122 Å²	122	74.6 Å²	74.6	65%	0.652	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.2	17.9	176.7	-50.8	-16.7	0	0	0	116.1	N660 L661 K662	N658-N660 VanDerWaalsContact C-N 3.29Å; N658-N660 PolarHBondContact O-N 3.38Å; N658-L661 PolarHBondContact O-N 2.82Å; N658-K662 PolarHBondContact O-N 2.95Å; N658-K662 VanDerWaalsContact O-N 3.1Å
659	V	71.4	Confident	71.1	Confident	8 Å²	8	76.4 Å²	76.4	5%	0.048	39%	0.386	C	S	.	.	H	α-helix	trans	-58.5	-41.4	176.3	173.5	0	0	0	0	111.4	M650 G654 R656 K657 L661 K662 V663	M650-V659 HydrophobicContact CE-CB 4.45Å; M650-V659 HydrophobicContact CE-CG1 3.54Å; G654-V659 WeakPolarHBondContact O-CG2 3.45Å; R656-V659 HydrophobicContact CB-CG2 3.93Å; R656-V659 WeakPolarHBondContact O-CG2 3.39Å; K657-V659 VanDerWaalsContact C-N 3.3Å; K657-V659 PolarHBondContact O-N 3.15Å; V659-L661 VanDerWaalsContact C-N 3.26Å; V659-L661 PolarHBondContact O-N 2.89Å; V659-K662 CarbonylContact O-C 3.54Å; V659-K662 PolarHBondContact O-N 3.48Å; V659-K662 VanDerWaalsContact O-N 3.09Å; V659-V663 HydrophobicContact CG1-CG2 3.76Å; V659-V663 WeakPolarHBondContact O-CB 3.41Å; V659-V663 VanDerWaalsContact O-CG2 3.28Å; V659-V663 WeakPolarHBondContact O-CG2 3.48Å; V659-V663 PolarHBondContact O-N 3.05Å
660	N	71	Confident	70.9	Confident	134 Å²	134	75.3 Å²	75.3	72%	0.717	39%	0.39	S	S	*	.	H	α-helix	trans	-57.1	-39.3	178.4	-62.6	-6.3	0	0	0	112.9	N658 L664	N658-N660 VanDerWaalsContact C-N 3.29Å; N658-N660 PolarHBondContact O-N 3.38Å; N660-L664 WeakPolarHBondContact O-CB 3.36Å; N660-L664 PolarHBondContact O-N 3.47Å
661	L	76	Confident	71.3	Confident	108 Å²	108	77.5 Å²	77.5	57%	0.565	41%	0.407	S	S	*	.	H	α-helix	trans	-71.8	-40.7	178	-171.4	123.3	0	0	0	111	N658 V659 L664 L665	N658-L661 PolarHBondContact O-N 2.82Å; V659-L661 VanDerWaalsContact C-N 3.26Å; V659-L661 PolarHBondContact O-N 2.89Å; L661-L664 PolarHBondContact O-N 3.39Å; L661-L665 HydrophobicContact CD2-CD1 3.59Å; L661-L665 HydrophobicContact CG-CD1 4.19Å; L661-L665 WeakPolarHBondContact O-CB 3.18Å; L661-L665 WeakPolarHBondContact O-CD1 3.41Å; L661-L665 PolarHBondContact O-N 3.43Å
662	K	75.7	Confident	71.7	Confident	82 Å²	82	77.7 Å²	77.7	36%	0.357	40%	0.403	S	S	.	.	H	α-helix	trans	-66.3	-36.2	174	-67.1	-169.3	169.4	-161	0	112.8	N658 V659 L665 G666 L676	N658-K662 PolarHBondContact O-N 2.95Å; N658-K662 VanDerWaalsContact O-N 3.1Å; V659-K662 CarbonylContact O-C 3.54Å; V659-K662 PolarHBondContact O-N 3.48Å; V659-K662 VanDerWaalsContact O-N 3.09Å; K662-L665 PolarHBondContact O-N 3.37Å; K662-G666 PolarHBondContact O-N 3.37Å; K662-L676 HydrophobicContact CB-CD2 3.39Å; K662-L676 HydrophobicContact CD-CD2 4.27Å
663	V	73.2	Confident	72.1	Confident	38 Å²	38	77.4 Å²	77.4	23%	0.23	40%	0.399	C	S	.	.	H	α-helix	trans	-65.8	-47.1	174.5	170.5	0	0	0	0	108.8	L653 V659 L665 G666 V667 L676 F784	L653-V663 HydrophobicContact CD1-CG2 4.41Å; V659-V663 HydrophobicContact CG1-CG2 3.76Å; V659-V663 WeakPolarHBondContact O-CB 3.41Å; V659-V663 VanDerWaalsContact O-CG2 3.28Å; V659-V663 WeakPolarHBondContact O-CG2 3.48Å; V659-V663 PolarHBondContact O-N 3.05Å; V663-L665 VanDerWaalsContact C-N 3.31Å; V663-L665 PolarHBondContact O-N 3.1Å; V663-G666 CarbonylContact O-C 3.49Å; V663-G666 WeakPolarHBondContact O-CA 3.24Å; V663-G666 PolarHBondContact O-N 3.28Å; V663-G666 VanDerWaalsContact O-N 3.1Å; V663-V667 WeakPolarHBondContact O-CG2 3.18Å; V663-V667 PolarHBondContact O-N 3.45Å; V663-L676 HydrophobicContact CG2-CD2 4.27Å; V663-F784 HydrophobicContact CG1-CE2 4.08Å; V663-F784 HydrophobicContact CG1-CZ 4.27Å; V663-F784 HydrophobicContact CG2-CE2 4.42Å
664	L	72.6	Confident	72.3	Confident	120 Å²	120	81.7 Å²	81.7	63%	0.628	42%	0.417	S	S	*	.	H	α-helix	trans	-58.3	-41.6	174.3	-173.8	69.9	0	0	0	112.4	N660 L661 V667 L668	N660-L664 WeakPolarHBondContact O-CB 3.36Å; N660-L664 PolarHBondContact O-N 3.47Å; L661-L664 PolarHBondContact O-N 3.39Å; L664-V667 WeakPolarHBondContact O-CB 3.34Å; L664-V667 PolarHBondContact O-N 3.07Å; L664-L668 PolarHBondContact O-N 3.33Å
665	L	75.9	Confident	72.5	Confident	68 Å²	68	85.1 Å²	85.1	36%	0.356	44%	0.435	S	S	.	.	H	α-helix	trans	-66.6	-39.4	173.5	-84	153	0	0	0	112.4	L661 K662 V663 V667 L668 I669 V672	L661-L665 HydrophobicContact CD2-CD1 3.59Å; L661-L665 HydrophobicContact CG-CD1 4.19Å; L661-L665 WeakPolarHBondContact O-CB 3.18Å; L661-L665 WeakPolarHBondContact O-CD1 3.41Å; L661-L665 PolarHBondContact O-N 3.43Å; K662-L665 PolarHBondContact O-N 3.37Å; V663-L665 VanDerWaalsContact C-N 3.31Å; V663-L665 PolarHBondContact O-N 3.1Å; L665-V667 PolarHBondContact O-N 3.03Å; L665-L668 PolarHBondContact O-N 3.48Å; L665-I669 WeakPolarHBondContact O-CA 3.35Å; L665-I669 WeakPolarHBondContact O-CB 3.14Å; L665-I669 PolarHBondContact O-N 3.32Å; L665-V672 HydrophobicContact CB-CG1 4.05Å
666	G	73.1	Confident	72.7	Confident	0 Å²	0	80.6 Å²	80.6	0%	0	41%	0.412	C	S	.	.	H	α-helix	trans	-65.7	-26	174.3	0	0	0	0	0	113.4	K662 V663 I669 P670	K662-G666 PolarHBondContact O-N 3.37Å; V663-G666 CarbonylContact O-C 3.49Å; V663-G666 WeakPolarHBondContact O-CA 3.24Å; V663-G666 PolarHBondContact O-N 3.28Å; V663-G666 VanDerWaalsContact O-N 3.1Å; G666-I669 CarbonylContact O-C 3.6Å; G666-P670 WeakPolarHBondContact O-CA 3.46Å
667	V	68.3	Low	72.9	Confident	50 Å²	50	73.2 Å²	73.2	30%	0.303	39%	0.389	S	S	.	.	H	α-helix	trans	-75	-49.2	172.3	171.3	0	0	0	0	111	V663 L664 L665 I669 F784 L790	V663-V667 WeakPolarHBondContact O-CG2 3.18Å; V663-V667 PolarHBondContact O-N 3.45Å; L664-V667 WeakPolarHBondContact O-CB 3.34Å; L664-V667 PolarHBondContact O-N 3.07Å; L665-V667 PolarHBondContact O-N 3.03Å; V667-I669 VanDerWaalsContact C-N 3.33Å; V667-F784 HydrophobicContact CG2-CE1 4.2Å; V667-F784 HydrophobicContact CG2-CZ 3.95Å; V667-L790 HydrophobicContact CB-CD2 4.15Å; V667-L790 HydrophobicContact CG1-CD1 4.42Å; V667-L790 HydrophobicContact CG1-CD2 3.62Å; V667-L790 HydrophobicContact CG2-CD1 3.67Å; V667-L790 HydrophobicContact CG2-CD2 3.36Å; V667-L790 HydrophobicContact CG2-CG 4.12Å
668	L	71.5	Confident	73.1	Confident	140 Å²	140	66.4 Å²	66.4	73%	0.733	36%	0.359	S	S	*	.	H	α-helix	trans	-69	-36.1	-178.8	-170.7	71.6	0	0	0	111.4	L664 L665	L664-L668 PolarHBondContact O-N 3.33Å; L665-L668 PolarHBondContact O-N 3.48Å
669	I	78.5	Confident	73.1	Confident	75 Å²	75	61.2 Å²	61.2	39%	0.385	33%	0.331	S	S	.	.	S	Bend	trans	-130.6	91.5	-175.1	-54.2	173.7	0	0	0	107.8	L665 G666 V667 P671 V672	L665-I669 WeakPolarHBondContact O-CA 3.35Å; L665-I669 WeakPolarHBondContact O-CB 3.14Å; L665-I669 PolarHBondContact O-N 3.32Å; G666-I669 CarbonylContact O-C 3.6Å; V667-I669 VanDerWaalsContact C-N 3.33Å; I669-P671 VanDerWaalsContact C-N 3.3Å; I669-P671 HydrophobicContact CG2-CG 3.71Å; I669-P671 VanDerWaalsContact O-N 3.12Å; I669-V672 HydrophobicContact CB-CG2 3.81Å; I669-V672 HydrophobicContact CG2-CG2 3.73Å; I669-V672 WeakPolarHBondContact O-CB 3.21Å; I669-V672 PolarHBondContact O-N 3.05Å
670	P	71.3	Confident	72.7	Confident	63 Å²	63	63.5 Å²	63.5	41%	0.409	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-48.2	-35.9	-179.6	-29.3	35.5	0	0	0	116.3	G666 V672 I673	G666-P670 WeakPolarHBondContact O-CA 3.46Å; P670-V672 PolarHBondContact O-N 3.13Å; P670-I673 HydrophobicContact CB-CD1 4.48Å; P670-I673 VanDerWaalsContact O-CB 3.25Å; P670-I673 WeakPolarHBondContact O-CB 3.17Å; P670-I673 VanDerWaalsContact O-CD1 3.24Å; P670-I673 WeakPolarHBondContact O-CD1 3.47Å; P670-I673 WeakPolarHBondContact O-CG1 3.38Å; P670-I673 PolarHBondContact O-N 3.47Å
671	P	79.3	Confident	72.1	Confident	85 Å²	85	60 Å²	60	55%	0.552	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-67.4	-17.7	176.8	19.6	-28.3	0	0	0	114.4	I669 I673 F674	I669-P671 VanDerWaalsContact C-N 3.3Å; I669-P671 HydrophobicContact CG2-CG 3.71Å; I669-P671 VanDerWaalsContact O-N 3.12Å; P671-I673 PolarHBondContact O-N 3.44Å; P671-F674 WeakPolarHBondContact O-CD2 3.42Å; P671-F674 PolarHBondContact O-N 3.47Å
672	V	76.6	Confident	71	Confident	33 Å²	33	58.8 Å²	58.8	20%	0.2	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-67.7	-16.4	175.2	178.4	0	0	0	0	111.7	L665 I669 P670 F674 T675	L665-V672 HydrophobicContact CB-CG1 4.05Å; I669-V672 HydrophobicContact CB-CG2 3.81Å; I669-V672 HydrophobicContact CG2-CG2 3.73Å; I669-V672 WeakPolarHBondContact O-CB 3.21Å; I669-V672 PolarHBondContact O-N 3.05Å; P670-V672 PolarHBondContact O-N 3.13Å; V672-F674 PolarHBondContact O-N 3.14Å; V672-F674 VanDerWaalsContact O-N 3.17Å; V672-T675 WeakPolarHBondContact CG1-OG1 3.24Å; V672-T675 WeakPolarHBondContact O-CB 3.44Å; V672-T675 PolarHBondContact O-N 3.5Å; V672-T675 PolarHBondContact O-OG1 2.91Å
673	I	73.4	Confident	70.3	Confident	4 Å²	4	59.6 Å²	59.6	2%	0.021	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-54.1	-36.7	175.5	-64.3	169.4	0	0	0	111.1	P670 P671 T675 L676 F678 F784 Y785	P670-I673 HydrophobicContact CB-CD1 4.48Å; P670-I673 VanDerWaalsContact O-CB 3.25Å; P670-I673 WeakPolarHBondContact O-CB 3.17Å; P670-I673 VanDerWaalsContact O-CD1 3.24Å; P670-I673 WeakPolarHBondContact O-CD1 3.47Å; P670-I673 WeakPolarHBondContact O-CG1 3.38Å; P670-I673 PolarHBondContact O-N 3.47Å; P671-I673 PolarHBondContact O-N 3.44Å; I673-T675 PolarHBondContact O-N 2.79Å; I673-L676 HydrophobicContact CG2-CD1 4.47Å; I673-L676 VanDerWaalsContact O-CB 3.29Å; I673-L676 WeakPolarHBondContact O-CB 3.42Å; I673-L676 PolarHBondContact O-N 3.3Å; I673-F678 HydrophobicContact CG2-CE2 4.16Å; I673-F678 HydrophobicContact CG2-CZ 3.84Å; I673-F678 WeakPolarHBondContact O-CE2 3.44Å; I673-F784 HydrophobicContact CD1-CD1 3.6Å; I673-F784 HydrophobicContact CD1-CE1 3.79Å; I673-F784 HydrophobicContact CD1-CG 4.17Å; I673-F784 HydrophobicContact CG1-CD1 3.98Å; I673-F784 HydrophobicContact CG1-CD2 4.46Å; I673-F784 HydrophobicContact CG1-CE1 3.92Å; I673-F784 HydrophobicContact CG1-CE2 4.42Å; I673-F784 HydrophobicContact CG1-CG 4.24Å; I673-F784 HydrophobicContact CG1-CZ 4.14Å; I673-F784 HydrophobicContact CG2-CB 4.38Å; I673-F784 HydrophobicContact CG2-CG 4.31Å; I673-Y785 HydrophobicContact CD1-CE2 4.3Å
674	F	72.3	Confident	69.6	Low	110 Å²	110	58.2 Å²	58.2	48%	0.482	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-67.7	-17.1	-179.7	-62	-65.4	0	0	0	114.2	P671 V672 V777	P671-F674 WeakPolarHBondContact O-CD2 3.42Å; P671-F674 PolarHBondContact O-N 3.47Å; V672-F674 PolarHBondContact O-N 3.14Å; V672-F674 VanDerWaalsContact O-N 3.17Å; F674-V777 HydrophobicContact CE1-CB 4.34Å; F674-V777 HydrophobicContact CE1-CG1 3.65Å; F674-V777 HydrophobicContact CE1-CG2 4.06Å; F674-V777 HydrophobicContact CZ-CG1 3.83Å
675	T	73.5	Confident	68.6	Low	84 Å²	84	55.1 Å²	55.1	52%	0.515	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-90.5	-4.5	176.2	75	0	0	0	0	113.2	V672 I673	V672-T675 WeakPolarHBondContact CG1-OG1 3.24Å; V672-T675 WeakPolarHBondContact O-CB 3.44Å; V672-T675 PolarHBondContact O-N 3.5Å; V672-T675 PolarHBondContact O-OG1 2.91Å; I673-T675 PolarHBondContact O-N 2.79Å
676	L	70.8	Confident	67.5	Low	8 Å²	8	55.4 Å²	55.4	4%	0.042	30%	0.296	C	S	.	.	S	Bend	trans	-75.6	135.7	176.5	-70.7	167.9	0	0	0	110	L653 K662 V663 I673 F678 F784	L653-L676 HydrophobicContact CD2-CB 4.28Å; L653-L676 HydrophobicContact CD2-CD1 4.19Å; K662-L676 HydrophobicContact CB-CD2 3.39Å; K662-L676 HydrophobicContact CD-CD2 4.27Å; V663-L676 HydrophobicContact CG2-CD2 4.27Å; I673-L676 HydrophobicContact CG2-CD1 4.47Å; I673-L676 VanDerWaalsContact O-CB 3.29Å; I673-L676 WeakPolarHBondContact O-CB 3.42Å; I673-L676 PolarHBondContact O-N 3.3Å; L676-F678 HydrophobicContact CB-CD2 4.49Å; L676-F678 HydrophobicContact CB-CE2 4.03Å; L676-F678 VanDerWaalsContact O-CD2 3.29Å; L676-F678 WeakPolarHBondContact O-CD2 3.18Å; L676-F678 PolarHBondContact O-N 3.06Å; L676-F784 HydrophobicContact CD1-CD2 3.66Å; L676-F784 HydrophobicContact CD1-CE2 3.35Å; L676-F784 HydrophobicContact CD1-CZ 4.3Å
677	P	70.1	Confident	66.7	Low	34 Å²	34	56.5 Å²	56.5	22%	0.221	30%	0.301	C	S	.	.			trans	-72.2	104.3	173.4	30.2	-31.5	0	0	0	108.6	G654	G654-P677 PolarHBondContact N-O 3.47Å
678	F	70.7	Confident	65.9	Low	29 Å²	29	56 Å²	56	13%	0.127	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-81	150.3	166.2	-70	-87.7	0	0	0	109.6	L653 I673 L676 L775 K780	L653-F678 HydrophobicContact CD2-CE1 4.25Å; I673-F678 HydrophobicContact CG2-CE2 4.16Å; I673-F678 HydrophobicContact CG2-CZ 3.84Å; I673-F678 WeakPolarHBondContact O-CE2 3.44Å; L676-F678 HydrophobicContact CB-CD2 4.49Å; L676-F678 HydrophobicContact CB-CE2 4.03Å; L676-F678 VanDerWaalsContact O-CD2 3.29Å; L676-F678 WeakPolarHBondContact O-CD2 3.18Å; L676-F678 PolarHBondContact O-N 3.06Å; F678-L775 HydrophobicContact CB-CD1 4.06Å; F678-K780 HydrophobicContact CD1-CB 4.37Å; F678-K780 HydrophobicContact CD1-CG 4.09Å; F678-K780 HydrophobicContact CD2-CB 4.34Å; F678-K780 HydrophobicContact CD2-CD 3.71Å; F678-K780 HydrophobicContact CD2-CG 3.85Å; F678-K780 HydrophobicContact CE1-CB 3.96Å; F678-K780 HydrophobicContact CE1-CG 4.19Å; F678-K780 HydrophobicContact CE2-CB 3.91Å; F678-K780 HydrophobicContact CE2-CD 3.9Å; F678-K780 HydrophobicContact CE2-CG 3.95Å; F678-K780 HydrophobicContact CG-CD 4.2Å; F678-K780 HydrophobicContact CG-CG 3.92Å; F678-K780 HydrophobicContact CZ-CB 3.71Å; F678-K780 HydrophobicContact CZ-CG 4.12Å
679	K	69	Low	64.7	Low	12 Å²	12	52.8 Å²	52.8	5%	0.052	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-64.4	145.7	170.7	-75.2	177	179.3	165.3	0	109.9	D647 G651 G652 L653 Q683 L684 L775	D647-K679 PolarHBondContact O-NZ 2.96Å; D647-K679 VanDerWaalsContact OD1-CE 3.24Å; D647-K679 WeakPolarHBondContact OD1-CE 3.27Å; D647-K679 IonicContact OD1-NZ 3.38Å; D647-K679 PolarHBondContact OD1-NZ 3.25Å; D647-K679 IonicContact OD2-NZ 3.67Å; D647-K679 PolarHBondContact OD2-NZ 3.46Å; G651-K679 WeakPolarHBondContact O-CE 3.37Å; G651-K679 PolarHBondContact O-NZ 2.96Å; G652-K679 PolarHBondContact O-N 3.07Å; L653-K679 WeakPolarHBondContact O-CE 3.45Å; K679-Q683 HydrophobicContact CB-CB 3.89Å; K679-Q683 HydrophobicContact CD-CB 4.49Å; K679-Q683 HydrophobicContact CG-CB 4.26Å; K679-L684 HydrophobicContact CB-CD2 4.12Å; K679-L684 HydrophobicContact CB-CG 4Å; K679-L684 HydrophobicContact CD-CD2 4.28Å; K679-L775 WeakPolarHBondContact O-CD1 3.47Å
680	T	63.4	Low	62.9	Low	56 Å²	56	50.3 Å²	50.3	34%	0.344	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-69.1	162	173.3	57.8	0	0	0	0	110.3	E682 Q683 L684	T680-E682 PolarHBondContact O-N 3.27Å; T680-Q683 PolarHBondContact O-N 2.65Å; T680-Q683 WeakPolarHBondContact OG1-CG 3.42Å; T680-Q683 PolarHBondContact OG1-N 3Å; T680-L684 PolarHBondContact O-N 2.83Å
681	K	58.3	Low	61.3	Low	61 Å²	61	49.1 Å²	49.1	27%	0.265	27%	0.268	S	S	.	.	H	α-helix	trans	-53.9	-38.8	175.5	-166.4	179.1	178.6	-175.1	0	111.5	L684 L685 F694	K681-L684 PolarHBondContact O-N 3.49Å; K681-L685 HydrophobicContact CG-CD1 4.28Å; K681-L685 WeakPolarHBondContact O-CB 3.48Å; K681-L685 WeakPolarHBondContact O-CG 3.14Å; K681-L685 PolarHBondContact O-N 3.18Å; K681-F694 VanDerWaalsContact CE-CZ 3.4Å
682	E	53.2	Low	59.5	Low	82 Å²	82	46.6 Å²	46.6	38%	0.383	25%	0.254	S	S	.	.	H	α-helix	trans	-59.7	-49.5	173.4	-64.9	171.8	-176.1	0	0	112.5	T680 L684 L685 L686	T680-E682 PolarHBondContact O-N 3.27Å; E682-L684 VanDerWaalsContact C-N 3.26Å; E682-L684 PolarHBondContact O-N 3.05Å; E682-L685 PolarHBondContact O-N 3.35Å; E682-L685 VanDerWaalsContact O-N 3.15Å; E682-L686 VanDerWaalsContact O-CD1 3.31Å; E682-L686 WeakPolarHBondContact O-CD1 3.42Å; E682-L686 WeakPolarHBondContact O-CG 3.46Å; E682-L686 PolarHBondContact O-N 3.16Å
683	Q	62.1	Low	57.7	Low	100 Å²	100	50.6 Å²	50.6	47%	0.467	27%	0.271	S	S	.	.	H	α-helix	trans	-64.5	-31.1	179.8	-74.1	175.7	-13.5	0	0	112.9	K679 T680	K679-Q683 HydrophobicContact CB-CB 3.89Å; K679-Q683 HydrophobicContact CD-CB 4.49Å; K679-Q683 HydrophobicContact CG-CB 4.26Å; T680-Q683 PolarHBondContact O-N 2.65Å; T680-Q683 WeakPolarHBondContact OG1-CG 3.42Å; T680-Q683 PolarHBondContact OG1-N 3Å
684	L	57.2	Low	55.8	Low	9 Å²	9	53.3 Å²	53.3	5%	0.047	28%	0.283	C	S	.	.	H	α-helix	trans	-73.6	-41.2	172.1	-71	174.5	0	0	0	111.8	K679 T680 K681 E682 L686 Q687 T690 L775	K679-L684 HydrophobicContact CB-CD2 4.12Å; K679-L684 HydrophobicContact CB-CG 4Å; K679-L684 HydrophobicContact CD-CD2 4.28Å; T680-L684 PolarHBondContact O-N 2.83Å; K681-L684 PolarHBondContact O-N 3.49Å; E682-L684 VanDerWaalsContact C-N 3.26Å; E682-L684 PolarHBondContact O-N 3.05Å; L684-L686 PolarHBondContact O-N 2.8Å; L684-Q687 WeakPolarHBondContact O-CB 3.25Å; L684-Q687 PolarHBondContact O-N 3.37Å; L684-T690 VanDerWaalsContact O-CB 3.26Å; L684-T690 WeakPolarHBondContact O-CB 3.36Å; L684-T690 PolarHBondContact O-OG1 3.33Å; L684-T690 VanDerWaalsContact O-OG1 3.08Å; L684-L775 HydrophobicContact CD1-CD1 3.69Å; L684-L775 HydrophobicContact CD1-CD2 3.71Å; L684-L775 HydrophobicContact CD1-CG 4.15Å
685	L	52.5	Low	54.3	Low	54 Å²	54	55.7 Å²	55.7	28%	0.283	30%	0.295	S	S	.	.	H	α-helix	trans	-62.4	-27.7	176.2	-74.1	168.2	0	0	0	112.5	K681 E682 Q687 F694 F771	K681-L685 HydrophobicContact CG-CD1 4.28Å; K681-L685 WeakPolarHBondContact O-CB 3.48Å; K681-L685 WeakPolarHBondContact O-CG 3.14Å; K681-L685 PolarHBondContact O-N 3.18Å; E682-L685 PolarHBondContact O-N 3.35Å; E682-L685 VanDerWaalsContact O-N 3.15Å; L685-Q687 VanDerWaalsContact C-N 3.29Å; L685-F694 HydrophobicContact CD2-CB 4.03Å; L685-F694 HydrophobicContact CD2-CD1 4.2Å; L685-F694 HydrophobicContact CD2-CD2 3.94Å; L685-F694 HydrophobicContact CD2-CG 3.78Å; L685-F771 HydrophobicContact CD1-CD1 4.44Å; L685-F771 HydrophobicContact CD1-CE1 4.29Å
686	L	52.5	Low	52.5	Low	74 Å²	74	57.7 Å²	57.7	39%	0.387	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-13.3	175.2	-69.5	162.1	0	0	0	113.5	F605 Q609 E682 L684 A688	F605-L686 HydrophobicContact CE1-CD2 4.26Å; F605-L686 HydrophobicContact CE2-CD1 3.8Å; F605-L686 HydrophobicContact CE2-CD2 4.42Å; F605-L686 HydrophobicContact CE2-CG 4.46Å; F605-L686 HydrophobicContact CZ-CB 4.4Å; F605-L686 HydrophobicContact CZ-CD1 3.43Å; F605-L686 VanDerWaalsContact CZ-CD1 3.43Å; F605-L686 HydrophobicContact CZ-CD2 3.53Å; F605-L686 HydrophobicContact CZ-CG 3.95Å; Q609-L686 VanDerWaalsContact NE2-CD2 3.3Å; E682-L686 VanDerWaalsContact O-CD1 3.31Å; E682-L686 WeakPolarHBondContact O-CD1 3.42Å; E682-L686 WeakPolarHBondContact O-CG 3.46Å; E682-L686 PolarHBondContact O-N 3.16Å; L684-L686 PolarHBondContact O-N 2.8Å; L686-A688 PolarHBondContact O-N 3.22Å
687	Q	57	Low	50.8	Low	23 Å²	23	64.6 Å²	64.6	11%	0.107	33%	0.33	C	S	.	.	S	Bend	trans	-80.9	114.9	168.1	-62.8	-174	-49.6	0	0	108	D647 L684 L685 Q689 T690 A691	D647-Q687 PolarHBondContact OD2-NE2 3.18Å; L684-Q687 WeakPolarHBondContact O-CB 3.25Å; L684-Q687 PolarHBondContact O-N 3.37Å; L685-Q687 VanDerWaalsContact C-N 3.29Å; Q687-Q689 PolarHBondContact O-N 2.9Å; Q687-T690 PolarHBondContact O-N 3.46Å; Q687-A691 PolarHBondContact O-N 3.38Å
688	A	49.9	Very low	49	Very low	41 Å²	41	67 Å²	67	34%	0.339	35%	0.347	S	S	.	.	H	α-helix	trans	-54.9	-19.4	-173	0	0	0	0	0	115.1	T612 L686	T612-A688 VanDerWaalsContact CB-CB 3.48Å; T612-A688 HydrophobicContact CG2-CB 4.35Å; L686-A688 PolarHBondContact O-N 3.22Å
689	Q	47.7	Very low	47	Very low	71 Å²	71	71.1 Å²	71.1	33%	0.332	37%	0.37	S	S	.	.	H	α-helix	trans	-79.2	-34.8	177.3	-71.7	161.8	-8.6	0	0	112.7	Q687 E1026	Q687-Q689 PolarHBondContact O-N 2.9Å; Q689-E1026 VanDerWaalsContact CD-CD 3.41Å; Q689-E1026 PolarHBondContact NE2-OE1 3.01Å; Q689-E1026 PolarHBondContact NE2-OE2 2.85Å; Q689-E1026 PolarHBondContact OE1-OE1 3.5Å; Q689-E1026 PolarHBondContact OE1-OE2 3.49Å
690	T	40.2	Very low	45.5	Very low	23 Å²	23	75.9 Å²	75.9	14%	0.141	40%	0.403	C	S	.	.	H	α-helix	trans	-80.3	-26.2	-179	-25	0	0	0	0	111.9	L684 Q687 A692 E693 F694	L684-T690 VanDerWaalsContact O-CB 3.26Å; L684-T690 WeakPolarHBondContact O-CB 3.36Å; L684-T690 PolarHBondContact O-OG1 3.33Å; L684-T690 VanDerWaalsContact O-OG1 3.08Å; Q687-T690 PolarHBondContact O-N 3.46Å; T690-A692 VanDerWaalsContact C-N 3.31Å; T690-A692 PolarHBondContact O-N 3.15Å; T690-E693 PolarHBondContact O-N 3Å; T690-F694 WeakPolarHBondContact O-CB 3.21Å; T690-F694 PolarHBondContact O-N 3.39Å
691	A	37.8	Very low	44.1	Very low	38 Å²	38	79.5 Å²	79.5	31%	0.314	42%	0.42	S	S	.	.	H	α-helix	trans	-60.1	-40.5	173.2	0	0	0	0	0	112	Q687 F694 Q695	Q687-A691 PolarHBondContact O-N 3.38Å; A691-F694 PolarHBondContact O-N 3.02Å; A691-Q695 WeakPolarHBondContact O-CB 3.28Å; A691-Q695 PolarHBondContact O-N 3.04Å
692	A	40.8	Very low	42.9	Very low	32 Å²	32	84.5 Å²	84.5	26%	0.264	44%	0.444	S	S	.	.	H	α-helix	trans	-67.2	-39.8	176.3	0	0	0	0	0	112.5	T690 Q695 E696 P1074	T690-A692 VanDerWaalsContact C-N 3.31Å; T690-A692 PolarHBondContact O-N 3.15Å; A692-Q695 PolarHBondContact O-N 3.02Å; A692-E696 PolarHBondContact O-N 3.22Å; A692-P1074 HydrophobicContact CB-CG 3.99Å
693	E	39	Very low	41.8	Very low	118 Å²	118	92.5 Å²	92.5	55%	0.551	47%	0.471	S	S	*	.	H	α-helix	trans	-68.9	-32.5	174.8	-67.6	-173.8	161.8	0	0	112.6	T690 E696	T690-E693 PolarHBondContact O-N 3Å; E693-E696 PolarHBondContact O-N 3.48Å
694	F	34.8	Very low	40.3	Very low	61 Å²	61	92.2 Å²	92.2	27%	0.268	48%	0.48	S	S	.	.	H	α-helix	trans	-73	-34.3	177.2	-142.4	-88.3	0	0	0	111.6	K681 L685 T690 A691 E696 H697 C698	K681-F694 VanDerWaalsContact CE-CZ 3.4Å; L685-F694 HydrophobicContact CD2-CB 4.03Å; L685-F694 HydrophobicContact CD2-CD1 4.2Å; L685-F694 HydrophobicContact CD2-CD2 3.94Å; L685-F694 HydrophobicContact CD2-CG 3.78Å; T690-F694 WeakPolarHBondContact O-CB 3.21Å; T690-F694 PolarHBondContact O-N 3.39Å; A691-F694 PolarHBondContact O-N 3.02Å; F694-E696 PolarHBondContact O-N 3.33Å; F694-H697 PolarHBondContact O-N 3.13Å; F694-H697 VanDerWaalsContact O-N 3.09Å; F694-C698 PolarHBondContact O-N 3.35Å
695	Q	39.9	Very low	39	Very low	160 Å²	160	101.4 Å²	101.4	75%	0.748	52%	0.52	S	S	*	.	H	α-helix	trans	-70.8	-18.5	175.2	-144.9	155.7	13.3	0	0	112.7	A691 A692	A691-Q695 WeakPolarHBondContact O-CB 3.28Å; A691-Q695 PolarHBondContact O-N 3.04Å; A692-Q695 PolarHBondContact O-N 3.02Å
696	E	35.7	Very low	38	Very low	125 Å²	125	103.8 Å²	103.8	58%	0.584	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-16.3	169	-74.7	-175.8	167.4	0	0	113.6	A692 E693 F694	A692-E696 PolarHBondContact O-N 3.22Å; E693-E696 PolarHBondContact O-N 3.48Å; F694-E696 PolarHBondContact O-N 3.33Å
697	H	35.2	Very low	36.9	Very low	154 Å²	154	104.9 Å²	104.9	71%	0.713	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.8	-6.2	-179	-82.6	-49.1	0	0	0	114.6	F694 D699	F694-H697 PolarHBondContact O-N 3.13Å; F694-H697 VanDerWaalsContact O-N 3.09Å; H697-D699 PolarHBondContact O-N 3.07Å
698	C	31.3	Very low	35.5	Very low	83 Å²	83	112.7 Å²	112.7	56%	0.561	60%	0.597	S	S	*	*			trans	-88.8	80.9	170.6	-68.2	0	0	0	0	109.7	F694	F694-C698 PolarHBondContact O-N 3.35Å
699	D	30.7	Very low	34.6	Very low	116 Å²	116	116.4 Å²	116.4	62%	0.62	62%	0.621	S	S	*	*			trans	-67.8	134	160.8	-79.7	-41.5	0	0	0	108.7	H697 D701	H697-D699 PolarHBondContact O-N 3.07Å; D699-D701 PolarHBondContact O-N 3.48Å
700	P	37.1	Very low	33.8	Very low	113 Å²	113	118.1 Å²	118.1	73%	0.734	64%	0.641	S	S	*	*	G	3₁₀ helix	trans	-63.4	-7.8	-177.5	-19.9	31.2	0	0	0	115.1
701	D	34.2	Very low	33.2	Very low	131 Å²	131	122.4 Å²	122.4	70%	0.701	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-96.6	-5.3	-165.7	-60.4	-28.9	0	0	0	113.7	D699 S704	D699-D701 PolarHBondContact O-N 3.48Å; D701-S704 PolarHBondContact O-OG 3.48Å
702	E	31.5	Very low	33	Very low	167 Å²	167	127.4 Å²	127.4	78%	0.78	70%	0.699	S	S	*	*	G	3₁₀ helix	trans	-87	1.5	-179.8	-102.3	-174.7	169.1	0	0	114.8
703	W	31.3	Very low	32.5	Very low	249 Å²	249	134.5 Å²	134.5	94%	0.943	73%	0.726	S	S	*	*	G	3₁₀ helix	trans	-98.2	6.1	-179.6	-81.3	48.7	0	0	0	114.4
704	S	29.7	Very low	32.2	Very low	95 Å²	95	134.7 Å²	134.7	66%	0.664	74%	0.741	S	S	*	*	S	Bend	trans	-104.9	2.9	-173	59.8	0	0	0	0	115.5	D701	D701-S704 PolarHBondContact O-OG 3.48Å
705	F	29.9	Very low	31.9	Very low	202 Å²	202	139.3 Å²	139.3	89%	0.886	77%	0.768	S	S	*	*	S	Bend	trans	-108.5	1.8	-172.4	-165	-103.2	0	0	0	115.7
706	A	31.8	Very low	31.7	Very low	103 Å²	103	137.4 Å²	137.4	85%	0.851	77%	0.773	S	S	*	*	S	Bend	trans	-109.3	6.7	-170.9	0	0	0	0	0	115.7
707	S	29.7	Very low	31.4	Very low	97 Å²	97	140.4 Å²	140.4	68%	0.678	79%	0.787	S	S	*	*			trans	-108.3	79.1	179.1	57.7	0	0	0	0	110.7
708	E	28.4	Very low	31.1	Very low	187 Å²	187	139.7 Å²	139.7	87%	0.874	79%	0.787	S	S	*	*			trans	170.6	95.9	156.6	-99.2	162.1	-159.9	0	0	109.3
709	S	30.6	Very low	31	Very low	120 Å²	120	144.4 Å²	144.4	84%	0.839	80%	0.798	S	S	*	*			trans	166.8	134.2	133.9	45.5	0	0	0	0	114.3
710	S	30	Very low	30.8	Very low	107 Å²	107	146.7 Å²	146.7	75%	0.748	81%	0.809	S	S	*	*			trans	66.6	87.9	158.8	73.1	0	0	0	0	119.4
711	S	28	Very low	30.5	Very low	112 Å²	112	145.9 Å²	145.9	78%	0.783	81%	0.812	S	S	*	*			trans	-38.5	132.4	132.2	50.3	0	0	0	0	114.3
712	T	33.6	Very low	30.6	Very low	144 Å²	144	144.9 Å²	144.9	88%	0.883	81%	0.812	S	S	*	*			trans	-163.2	137.3	130.4	28.8	0	0	0	0	109.9
713	E	29.8	Very low	30.6	Very low	181 Å²	181	143.4 Å²	143.4	85%	0.846	82%	0.815	S	S	*	*			trans	-70.2	155.4	-167.9	-62.9	154.5	156	0	0	114.2
714	S	32.9	Very low	30.6	Very low	121 Å²	121	135.4 Å²	135.4	85%	0.846	80%	0.801	S	S	*	*				-172.8	123.5	122.7	33.3	0	0	0	0	111.4
715	D	28.5	Very low	30.7	Very low	159 Å²	159	137.6 Å²	137.6	85%	0.85	81%	0.806	S	S	*	*			trans	-65.3	143	178.6	-63.2	-51.2	0	0	0	113.4
716	S	36.9	Very low	31	Very low	120 Å²	120	135.4 Å²	135.4	84%	0.839	80%	0.803	S	S	*	*			trans	-158.7	102.5	141.8	43	0	0	0	0	110.5
717	E	28.7	Very low	31	Very low	188 Å²	188	137.9 Å²	137.9	88%	0.879	80%	0.802	S	S	*	*			trans	-56.9	141.7	160.8	-63.5	177.4	126	0	0	110.5
718	L	29.6	Very low	31.2	Very low	138 Å²	138	143 Å²	143	72%	0.723	82%	0.816	S	S	*	*				-171.9	123.4	125.9	-137.4	58.1	0	0	0	115.7
719	K	28.9	Very low	31.2	Very low	182 Å²	182	145.5 Å²	145.5	79%	0.791	82%	0.817	S	S	*	*			trans	77.9	100.2	142.4	-81.6	165.1	-162.8	178.6	0	121.3
720	I	26.5	Very low	31	Very low	165 Å²	165	143.9 Å²	143.9	85%	0.846	81%	0.811	S	S	*	*			trans	-81.2	144	145.8	-63.2	164.8	0	0	0	108.8
721	A	30.7	Very low	30.9	Very low	96 Å²	96	145 Å²	145	79%	0.793	81%	0.814	S	S	*	*			trans	-129.5	132	162.4	0	0	0	0	0	109.8
722	P	35.6	Very low	30.8	Very low	110 Å²	110	144 Å²	144	71%	0.714	81%	0.812	S	S	*	*			trans	-106.3	166.8	179.6	39.1	-31.1	0	0	0	113
723	T	32.4	Very low	30.7	Very low	136 Å²	136	143.7 Å²	143.7	83%	0.834	81%	0.81	S	S	*	*			trans	161.8	118.6	146.6	37.3	0	0	0	0	108.9
724	A	31.5	Very low	30.6	Very low	80 Å²	80	142 Å²	142	66%	0.661	81%	0.806	S	S	*	*				66.2	132.4	76.4	0	0	0	0	0	111.9
725	N	31.1	Very low	30.5	Very low	141 Å²	141	145 Å²	145	75%	0.754	80%	0.804	S	S	*	*			cis	-159	167.4	1.9	-85.2	-23.8	0	0	0	106.5
726	D	36.9	Very low	30.5	Very low	156 Å²	156	145.7 Å²	145.7	83%	0.834	80%	0.8	S	S	*	*				156.6	121.4	126.1	-73.7	-16.6	0	0	0	112.3
727	D	31.3	Very low	30.1	Very low	155 Å²	155	147 Å²	147	83%	0.829	80%	0.797	S	S	*	*			trans	-66.9	153.2	177.2	-61.5	-64.5	0	0	0	112.7
728	E	34.5	Very low	29.9	Very low	205 Å²	205	142 Å²	142	96%	0.958	80%	0.797	S	S	*	*				-177.7	157.9	122.5	-102.2	-179	168.5	0	0	114.2
729	R	26.7	Very low	29.8	Very low	240 Å²	240	140.2 Å²	140.2	91%	0.906	80%	0.802	S	S	*	*			trans	-102.3	169.7	-153.8	-135.3	172	177.1	169.2	-2.7	111.7
730	A	27.9	Very low	29.6	Very low	86 Å²	86	140.3 Å²	140.3	71%	0.711	81%	0.805	S	S	*	*			trans	73.8	153.1	152.2	0	0	0	0	0	116.3
731	T	26.3	Very low	29.7	Very low	131 Å²	131	138.5 Å²	138.5	80%	0.804	80%	0.804	S	S	*	*			cis	-173.8	152.1	-7.8	21.3	0	0	0	0	105.7
732	A	27	Very low	29.5	Very low	91 Å²	91	143.3 Å²	143.3	75%	0.752	81%	0.807	S	S	*	*			trans	12.2	140.4	151.8	0	0	0	0	0	121.3
733	V	32.2	Very low	29.1	Very low	137 Å²	137	150.2 Å²	150.2	83%	0.83	82%	0.819	S	S	*	*				168.3	139.7	117	164.8	0	0	0	0	111.1
734	D	26.5	Very low	28.9	Very low	145 Å²	145	150.4 Å²	150.4	78%	0.775	81%	0.813	S	S	*	*			trans	-25.2	145.7	166.8	-72.2	-50.8	0	0	0	118.4
735	F	31.3	Very low	28.7	Very low	184 Å²	184	156.7 Å²	156.7	81%	0.807	82%	0.82	S	S	*	*				-170.2	141.6	109.7	-140.8	-112.2	0	0	0	114.3
736	K	27.5	Very low	28.5	Very low	173 Å²	173	159.6 Å²	159.6	75%	0.752	82%	0.82	S	S	*	*			trans	-53.9	142	168	-66.4	160.7	170.6	168.1	0	112.4
737	N	28.3	Very low	28	Very low	147 Å²	147	161.4 Å²	161.4	79%	0.786	82%	0.823	S	S	*	*				157.1	138.1	123	-79	-25.6	0	0	0	111.7	A739	N737-A739 PolarHBondContact O-N 2.95Å
738	G	25	Very low	27.9	Very low	85 Å²	85	164.3 Å²	164.3	88%	0.876	82%	0.823	S	S	*	*			trans	-60.3	131.3	-175.2	0	0	0	0	0	114
739	A	27.3	Very low	27.4	Very low	99 Å²	99	164.3 Å²	164.3	82%	0.818	82%	0.82	S	S	*	*			trans	-160.2	137.4	149.9	0	0	0	0	0	107.8	N737	N737-A739 PolarHBondContact O-N 2.95Å
740	Q	25.6	Very low	27.4	Very low	184 Å²	184	161 Å²	161	86%	0.86	82%	0.818	S	S	*	*			trans	-51.6	141.4	-173	-56.2	-162.9	-13.1	0	0	113.8	K742	Q740-K742 PolarHBondContact O-N 3.11Å
741	P	28.5	Very low	27.3	Very low	128 Å²	128	161.5 Å²	161.5	83%	0.831	82%	0.817	S	S	*	*			trans	-83.9	107.8	175.3	31.8	-27.7	0	0	0	110	R743	P741-R743 PolarHBondContact O-N 3.47Å
742	K	26.7	Very low	27.4	Very low	197 Å²	197	164.3 Å²	164.3	86%	0.857	82%	0.821	S	S	*	*			trans	-55.4	129.5	160.6	-79.3	174	175	172.9	0	109.1	Q740 I744	Q740-K742 PolarHBondContact O-N 3.11Å; K742-I744 PolarHBondContact O-N 2.96Å
743	R	26.2	Very low	27.3	Very low	255 Å²	255	171.2 Å²	171.2	96%	0.962	83%	0.829	S	S	*	*			trans	-58.1	97.9	175	-80.1	177.1	164.3	173.5	-5.5	111.2	P741	P741-R743 PolarHBondContact O-N 3.47Å
744	I	28.8	Very low	27.2	Very low	139 Å²	139	169.3 Å²	169.3	71%	0.713	82%	0.817	S	S	*	*			trans	-91	113.8	166.3	-64.8	174.6	0	0	0	108	K742 R746	K742-I744 PolarHBondContact O-N 2.96Å; I744-R746 HydrophobicContact CG2-CG 4.43Å; I744-R746 PolarHBondContact O-N 3.36Å
745	R	27.1	Very low	27.4	Very low	212 Å²	212	167.5 Å²	167.5	80%	0.8	81%	0.814	S	S	*	*			trans	-60.7	115.9	170.3	-77.9	172.9	163.5	174.4	-9.3	109.1
746	R	28	Very low	27.3	Very low	202 Å²	202	164.1 Å²	164.1	76%	0.762	81%	0.813	S	S	*	*			trans	-115.9	103.3	164.4	-74.7	-175.6	174.8	170.5	-1.8	108.9	I744 R748	I744-R746 HydrophobicContact CG2-CG 4.43Å; I744-R746 PolarHBondContact O-N 3.36Å; R746-R748 PolarHBondContact O-N 3.37Å
747	H	25.7	Very low	27.6	Very low	195 Å²	195	160.8 Å²	160.8	90%	0.903	80%	0.803	S	S	*	*			trans	-68	111.8	153.6	-90.9	-90.6	0	0	0	106.2
748	R	27.9	Very low	27.8	Very low	215 Å²	215	162.8 Å²	162.8	81%	0.811	81%	0.808	S	S	*	*			trans	-121.1	130	171.1	-130.5	179	-175.2	177.5	-0.9	109.4	R746	R746-R748 PolarHBondContact O-N 3.37Å
749	K	25.8	Very low	28.3	Very low	206 Å²	206	163.7 Å²	163.7	90%	0.896	80%	0.8	S	S	*	*			trans	-57.5	126.9	-179.6	-71.3	170.3	172.5	177.8	0	110	S751	K749-S751 PolarHBondContact O-N 3.09Å
750	I	26.6	Very low	28.6	Very low	169 Å²	169	164.9 Å²	164.9	87%	0.867	79%	0.789	S	S	*	*			trans	-81.1	100.1	166.8	-65.1	167.2	0	0	0	106.4
751	S	25.6	Very low	28.8	Very low	98 Å²	98	157.5 Å²	157.5	69%	0.685	76%	0.76	S	S	*	*			trans	-167.3	101.5	165	176.6	0	0	0	0	106.8	K749	K749-S751 PolarHBondContact O-N 3.09Å
752	Q	27.2	Very low	28.9	Very low	190 Å²	190	154.1 Å²	154.1	89%	0.888	74%	0.743	S	S	*	*			trans	162.4	86	153.9	-93.4	167.4	-14.7	0	0	109.4
753	Y	26	Very low	29.3	Very low	235 Å²	235	148.4 Å²	148.4	92%	0.922	73%	0.728	S	S	*	*			trans	-165.3	106.5	140.2	-133.7	-97.8	0	0	0	107.8
754	V	29.8	Very low	29.8	Very low	98 Å²	98	140.2 Å²	140.2	59%	0.594	71%	0.705	S	S	*	*			trans	-114.4	130.8	175.2	176.6	0	0	0	0	106.3	A761	V754-A761 HydrophobicContact CG1-CB 4Å
755	P	29.6	Very low	29.9	Very low	107 Å²	107	139.5 Å²	139.5	70%	0.695	70%	0.701	S	S	*	*			trans	-68.5	147.1	175.1	20.2	-16.5	0	0	0	110.4	N757	P755-N757 PolarHBondContact O-N 3.34Å
756	S	31.1	Very low	30.3	Very low	113 Å²	113	135.3 Å²	135.3	79%	0.79	69%	0.693	S	S	*	*	S	Bend	trans	-64.6	10.9	-165.1	47.7	0	0	0	0	117.7
757	N	31.8	Very low	30.7	Very low	102 Å²	102	127 Å²	127	55%	0.545	67%	0.67	S	S	.	*			trans	-99	104.4	-179.5	-73.8	-4.1	0	0	0	110.9	P755 S759 E760	P755-N757 PolarHBondContact O-N 3.34Å; N757-S759 PolarHBondContact O-N 2.91Å; N757-S759 VanDerWaalsContact O-N 3.16Å; N757-E760 PolarHBondContact O-N 3.35Å
758	Q	33.2	Very low	31.1	Very low	189 Å²	189	122.1 Å²	122.1	88%	0.883	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	-12	-169.3	-70.3	178.8	-9	0	0	115.2
759	S	36.2	Very low	31.3	Very low	104 Å²	104	115.6 Å²	115.6	73%	0.727	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.9	-25.6	179.1	61.6	0	0	0	0	114.5	N757	N757-S759 PolarHBondContact O-N 2.91Å; N757-S759 VanDerWaalsContact O-N 3.16Å
760	E	33	Very low	31.8	Very low	124 Å²	124	112.6 Å²	112.6	58%	0.579	63%	0.631	S	S	*	*	H	α-helix	trans	-87.6	-17.5	175.6	-69.2	-177.5	156.4	0	0	112.3	N757 A762 S763 V764	N757-E760 PolarHBondContact O-N 3.35Å; E760-A762 VanDerWaalsContact C-N 3.31Å; E760-A762 PolarHBondContact O-N 2.83Å; E760-S763 PolarHBondContact O-OG 3.42Å; E760-V764 WeakPolarHBondContact O-CB 3.42Å; E760-V764 WeakPolarHBondContact O-CG2 3.3Å; E760-V764 PolarHBondContact O-N 3.15Å
761	A	30.3	Very low	32.3	Very low	29 Å²	29	108.7 Å²	108.7	24%	0.24	61%	0.608	C	S	.	*	H	α-helix	trans	-66.4	-30.4	179.4	0	0	0	0	0	113.2	V754 M765	V754-A761 HydrophobicContact CG1-CB 4Å; A761-M765 WeakPolarHBondContact O-CB 3.39Å; A761-M765 WeakPolarHBondContact O-CG 3.49Å; A761-M765 PolarHBondContact O-N 2.73Å
762	A	31.4	Very low	32.8	Very low	58 Å²	58	114.3 Å²	114.3	48%	0.479	61%	0.614	S	S	.	*	H	α-helix	trans	-76.3	-39.6	179.4	0	0	0	0	0	112.5	E760 M765 I766	E760-A762 VanDerWaalsContact C-N 3.31Å; E760-A762 PolarHBondContact O-N 2.83Å; A762-M765 PolarHBondContact O-N 2.9Å; A762-I766 WeakPolarHBondContact O-CB 3.48Å; A762-I766 WeakPolarHBondContact O-CD1 3.34Å; A762-I766 VanDerWaalsContact O-CG1 3.24Å; A762-I766 WeakPolarHBondContact O-CG1 3.49Å; A762-I766 PolarHBondContact O-N 3.1Å
763	S	35	Very low	33.4	Very low	77 Å²	77	111 Å²	111	54%	0.538	60%	0.599	S	S	.	*	H	α-helix	trans	-71.1	-34.2	175.1	52.7	0	0	0	0	111.9	E760 G767	E760-S763 PolarHBondContact O-OG 3.42Å; S763-G767 PolarHBondContact O-N 3.5Å
764	V	35.6	Very low	34.7	Very low	82 Å²	82	106 Å²	106	50%	0.497	59%	0.588	S	S	.	*	H	α-helix	trans	-71.4	-37.5	172.6	175	0	0	0	0	111.6	E760 G767 L768	E760-V764 WeakPolarHBondContact O-CB 3.42Å; E760-V764 WeakPolarHBondContact O-CG2 3.3Å; E760-V764 PolarHBondContact O-N 3.15Å; V764-G767 PolarHBondContact O-N 2.99Å; V764-L768 HydrophobicContact CG1-CD1 3.78Å; V764-L768 HydrophobicContact CG1-CG 4.25Å; V764-L768 VanDerWaalsContact O-CB 3.31Å; V764-L768 WeakPolarHBondContact O-CB 3.34Å; V764-L768 WeakPolarHBondContact O-CD1 3.45Å; V764-L768 WeakPolarHBondContact O-CG 3.47Å; V764-L768 PolarHBondContact O-N 3.41Å
765	M	31.9	Very low	36.1	Very low	124 Å²	124	102.3 Å²	102.3	61%	0.611	56%	0.564	S	S	*	*	H	α-helix	trans	-71.1	-35.5	176.5	-80.1	-77.3	-75.8	0	0	113.5	A761 A762 L768 A769	A761-M765 WeakPolarHBondContact O-CB 3.39Å; A761-M765 WeakPolarHBondContact O-CG 3.49Å; A761-M765 PolarHBondContact O-N 2.73Å; A762-M765 PolarHBondContact O-N 2.9Å; M765-L768 PolarHBondContact O-N 3.01Å; M765-L768 HydrophobicContact SD-CD1 4.35Å; M765-A769 PolarHBondContact O-N 3.28Å; M765-A769 VanDerWaalsContact O-N 3.16Å
766	I	35.2	Very low	37.8	Very low	125 Å²	125	100.8 Å²	100.8	64%	0.641	56%	0.556	S	S	*	*	H	α-helix	trans	-70.7	-36.7	171.6	-65.3	165.8	0	0	0	110.2	A762 A769 H770	A762-I766 WeakPolarHBondContact O-CB 3.48Å; A762-I766 WeakPolarHBondContact O-CD1 3.34Å; A762-I766 VanDerWaalsContact O-CG1 3.24Å; A762-I766 WeakPolarHBondContact O-CG1 3.49Å; A762-I766 PolarHBondContact O-N 3.1Å; I766-A769 PolarHBondContact O-N 3.27Å; I766-H770 PolarHBondContact O-N 3.19Å
767	G	35.9	Very low	39.5	Very low	26 Å²	26	99.1 Å²	99.1	27%	0.268	54%	0.541	S	S	.	.	H	α-helix	trans	-60.6	-47.6	169.8	0	0	0	0	0	112.6	S763 V764 A769 H770 F771	S763-G767 PolarHBondContact O-N 3.5Å; V764-G767 PolarHBondContact O-N 2.99Å; G767-A769 VanDerWaalsContact C-N 3.29Å; G767-A769 PolarHBondContact O-N 2.84Å; G767-H770 PolarHBondContact O-N 3.46Å; G767-H770 VanDerWaalsContact O-N 3.07Å; G767-F771 WeakPolarHBondContact O-CD2 3.28Å; G767-F771 PolarHBondContact O-N 3.41Å
768	L	33.8	Very low	41.2	Very low	93 Å²	93	102 Å²	102	49%	0.487	55%	0.551	S	S	.	*	H	α-helix	trans	-63.6	-29.4	-179.7	-76.7	164.3	0	0	0	113.3	V764 M765	V764-L768 HydrophobicContact CG1-CD1 3.78Å; V764-L768 HydrophobicContact CG1-CG 4.25Å; V764-L768 VanDerWaalsContact O-CB 3.31Å; V764-L768 WeakPolarHBondContact O-CB 3.34Å; V764-L768 WeakPolarHBondContact O-CD1 3.45Å; V764-L768 WeakPolarHBondContact O-CG 3.47Å; V764-L768 PolarHBondContact O-N 3.41Å; M765-L768 PolarHBondContact O-N 3.01Å; M765-L768 HydrophobicContact SD-CD1 4.35Å
769	A	33.1	Very low	42.9	Very low	79 Å²	79	95.7 Å²	95.7	65%	0.653	52%	0.521	S	S	*	.	H	α-helix	trans	-71.1	-30.3	173.8	0	0	0	0	0	112.8	M765 I766 G767	M765-A769 PolarHBondContact O-N 3.28Å; M765-A769 VanDerWaalsContact O-N 3.16Å; I766-A769 PolarHBondContact O-N 3.27Å; G767-A769 VanDerWaalsContact C-N 3.29Å; G767-A769 PolarHBondContact O-N 2.84Å
770	H	35.7	Very low	44.4	Very low	142 Å²	142	92.4 Å²	92.4	66%	0.657	49%	0.494	S	S	*	.	H	α-helix	trans	-82.4	-13	179	-122.9	-84.6	0	0	0	113.9	I766 G767	I766-H770 PolarHBondContact O-N 3.19Å; G767-H770 PolarHBondContact O-N 3.46Å; G767-H770 VanDerWaalsContact O-N 3.07Å
771	F	37.5	Very low	46.2	Very low	87 Å²	87	89.6 Å²	89.6	38%	0.382	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-5.6	-176.1	-92.5	-74.2	0	0	0	115.7	L685 G767 Q773	L685-F771 HydrophobicContact CD1-CD1 4.44Å; L685-F771 HydrophobicContact CD1-CE1 4.29Å; G767-F771 WeakPolarHBondContact O-CD2 3.28Å; G767-F771 PolarHBondContact O-N 3.41Å; F771-Q773 PolarHBondContact O-N 2.81Å; F771-Q773 VanDerWaalsContact O-N 3.13Å
772	R	35.3	Very low	47.9	Very low	217 Å²	217	95.7 Å²	95.7	82%	0.819	50%	0.499	S	S	*	.			trans	-77.6	15.7	-177.5	-105.8	-171.8	-176.3	-175.5	4.5	116.1
773	Q	40.4	Very low	49.5	Very low	121 Å²	121	95.1 Å²	95.1	57%	0.565	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-77.1	128.6	-176.2	-74.9	178.8	-16.1	0	0	112.7	F771	F771-Q773 PolarHBondContact O-N 2.81Å; F771-Q773 VanDerWaalsContact O-N 3.13Å
774	D	52.5	Low	51	Low	130 Å²	130	91.6 Å²	91.6	70%	0.695	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-57.6	147.5	166.4	-77.3	-38.5	0	0	0	111.4	S776	D774-S776 PolarHBondContact O-N 3.32Å
775	L	58.8	Low	52.5	Low	19 Å²	19	93 Å²	93	10%	0.099	46%	0.458	C	S	.	.	P	Polyproline II helix	trans	-58.2	137.7	176	-73.6	141.3	0	0	0	111.6	F678 K679 L684 K779 K780	F678-L775 HydrophobicContact CB-CD1 4.06Å; K679-L775 WeakPolarHBondContact O-CD1 3.47Å; L684-L775 HydrophobicContact CD1-CD1 3.69Å; L684-L775 HydrophobicContact CD1-CD2 3.71Å; L684-L775 HydrophobicContact CD1-CG 4.15Å; L775-K779 HydrophobicContact CD2-CB 4.41Å; L775-K779 HydrophobicContact CD2-CD 3.67Å; L775-K779 HydrophobicContact CD2-CG 3.94Å; L775-K780 HydrophobicContact CB-CD 4.49Å; L775-K780 HydrophobicContact CB-CG 3.86Å; L775-K780 WeakPolarHBondContact O-CE 3.27Å
776	S	65.8	Low	53.9	Low	75 Å²	75	89.4 Å²	89.4	52%	0.524	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-57.6	147	172.7	70.3	0	0	0	0	111.3	D774 Q778 K779 K780	D774-S776 PolarHBondContact O-N 3.32Å; S776-Q778 VanDerWaalsContact C-N 3.27Å; S776-Q778 PolarHBondContact O-N 3.35Å; S776-K779 PolarHBondContact O-N 3.29Å; S776-K780 PolarHBondContact O-N 3.49Å; S776-K780 VanDerWaalsContact O-N 3.11Å
777	V	67.1	Low	55.1	Low	78 Å²	78	85.6 Å²	85.6	47%	0.473	44%	0.436	S	S	.	.	H	α-helix	trans	-53.5	-42.6	-176	165.8	0	0	0	0	112.4	F674 K779 K780 I781	F674-V777 HydrophobicContact CE1-CB 4.34Å; F674-V777 HydrophobicContact CE1-CG1 3.65Å; F674-V777 HydrophobicContact CE1-CG2 4.06Å; F674-V777 HydrophobicContact CZ-CG1 3.83Å; V777-K779 VanDerWaalsContact C-N 3.33Å; V777-K779 PolarHBondContact O-N 2.96Å; V777-K780 PolarHBondContact O-N 3.41Å; V777-I781 HydrophobicContact CG1-CD1 3.97Å; V777-I781 WeakPolarHBondContact O-CG1 3.4Å; V777-I781 PolarHBondContact O-N 3.43Å; V777-I781 VanDerWaalsContact O-N 3.11Å
778	Q	68.6	Low	56.3	Low	162 Å²	162	86.8 Å²	86.8	76%	0.757	44%	0.439	S	S	*	.	H	α-helix	trans	-63.1	-38.4	179.1	-69.2	179.6	-12.6	0	0	112.6	S776 I781 R782	S776-Q778 VanDerWaalsContact C-N 3.27Å; S776-Q778 PolarHBondContact O-N 3.35Å; Q778-I781 PolarHBondContact O-N 3.11Å; Q778-R782 WeakPolarHBondContact O-CB 3.37Å; Q778-R782 PolarHBondContact O-N 3.25Å
779	K	67.2	Low	57.9	Low	57 Å²	57	85.6 Å²	85.6	25%	0.248	43%	0.432	C	S	.	.	H	α-helix	trans	-71.5	-37.7	179.9	-165.7	164.9	174	-179.9	0	111.3	L775 S776 V777 I781 R782 E783	L775-K779 HydrophobicContact CD2-CB 4.41Å; L775-K779 HydrophobicContact CD2-CD 3.67Å; L775-K779 HydrophobicContact CD2-CG 3.94Å; S776-K779 PolarHBondContact O-N 3.29Å; V777-K779 VanDerWaalsContact C-N 3.33Å; V777-K779 PolarHBondContact O-N 2.96Å; K779-I781 PolarHBondContact O-N 3.1Å; K779-R782 PolarHBondContact O-N 2.85Å; K779-E783 WeakPolarHBondContact CE-OE1 3.42Å; K779-E783 WeakPolarHBondContact O-CB 3.2Å; K779-E783 WeakPolarHBondContact O-CG 3.3Å; K779-E783 PolarHBondContact O-N 3.17Å
780	K	68.8	Low	59.5	Low	36 Å²	36	84 Å²	84	16%	0.157	41%	0.412	C	S	.	.	H	α-helix	trans	-58.9	-44.1	171.7	-71	179.8	175.7	171.5	0	112.4	F678 L775 S776 V777 F784	F678-K780 HydrophobicContact CD1-CB 4.37Å; F678-K780 HydrophobicContact CD1-CG 4.09Å; F678-K780 HydrophobicContact CD2-CB 4.34Å; F678-K780 HydrophobicContact CD2-CD 3.71Å; F678-K780 HydrophobicContact CD2-CG 3.85Å; F678-K780 HydrophobicContact CE1-CB 3.96Å; F678-K780 HydrophobicContact CE1-CG 4.19Å; F678-K780 HydrophobicContact CE2-CB 3.91Å; F678-K780 HydrophobicContact CE2-CD 3.9Å; F678-K780 HydrophobicContact CE2-CG 3.95Å; F678-K780 HydrophobicContact CG-CD 4.2Å; F678-K780 HydrophobicContact CG-CG 3.92Å; F678-K780 HydrophobicContact CZ-CB 3.71Å; F678-K780 HydrophobicContact CZ-CG 4.12Å; L775-K780 HydrophobicContact CB-CD 4.49Å; L775-K780 HydrophobicContact CB-CG 3.86Å; L775-K780 WeakPolarHBondContact O-CE 3.27Å; S776-K780 PolarHBondContact O-N 3.49Å; S776-K780 VanDerWaalsContact O-N 3.11Å; V777-K780 PolarHBondContact O-N 3.41Å; K780-F784 WeakPolarHBondContact O-CB 3.48Å; K780-F784 PolarHBondContact O-N 3.45Å
781	I	69.7	Low	61.2	Low	65 Å²	65	78 Å²	78	33%	0.333	39%	0.386	S	S	.	.	H	α-helix	trans	-65.3	-45.5	177.3	-67.1	168.4	0	0	0	110.6	V777 Q778 K779 E783 F784 Y785	V777-I781 HydrophobicContact CG1-CD1 3.97Å; V777-I781 WeakPolarHBondContact O-CG1 3.4Å; V777-I781 PolarHBondContact O-N 3.43Å; V777-I781 VanDerWaalsContact O-N 3.11Å; Q778-I781 PolarHBondContact O-N 3.11Å; K779-I781 PolarHBondContact O-N 3.1Å; I781-E783 PolarHBondContact O-N 2.8Å; I781-F784 PolarHBondContact O-N 2.9Å; I781-Y785 HydrophobicContact CG2-CD2 3.78Å; I781-Y785 HydrophobicContact CG2-CE2 3.96Å; I781-Y785 WeakPolarHBondContact O-CD2 3.46Å; I781-Y785 PolarHBondContact O-N 3.31Å; I781-Y785 VanDerWaalsContact O-N 3.09Å
782	R	66.6	Low	63.2	Low	156 Å²	156	74.9 Å²	74.9	59%	0.589	37%	0.372	S	S	*	.	H	α-helix	trans	-60.5	-44.2	178.4	-174	177.3	68	-167.8	8.4	112.3	Q778 K779 A786	Q778-R782 WeakPolarHBondContact O-CB 3.37Å; Q778-R782 PolarHBondContact O-N 3.25Å; K779-R782 PolarHBondContact O-N 2.85Å; R782-A786 WeakPolarHBondContact O-CB 3.39Å; R782-A786 PolarHBondContact O-N 3.14Å
783	E	65.1	Low	65.3	Low	46 Å²	46	68.6 Å²	68.6	22%	0.215	35%	0.354	C	S	.	.	H	α-helix	trans	-68.5	-32.7	178.4	-74.1	178.2	-163.9	0	0	112.6	K779 I781	K779-E783 WeakPolarHBondContact CE-OE1 3.42Å; K779-E783 WeakPolarHBondContact O-CB 3.2Å; K779-E783 WeakPolarHBondContact O-CG 3.3Å; K779-E783 PolarHBondContact O-N 3.17Å; I781-E783 PolarHBondContact O-N 2.8Å
784	F	66.9	Low	67.3	Low	4 Å²	4	67.5 Å²	67.5	2%	0.018	35%	0.348	C	S	.	.	H	α-helix	trans	-70.5	-46.8	177.4	-174.5	-98.6	0	0	0	112.8	V663 V667 I673 L676 K780 I781 A786 A787	V663-F784 HydrophobicContact CG1-CE2 4.08Å; V663-F784 HydrophobicContact CG1-CZ 4.27Å; V663-F784 HydrophobicContact CG2-CE2 4.42Å; V667-F784 HydrophobicContact CG2-CE1 4.2Å; V667-F784 HydrophobicContact CG2-CZ 3.95Å; I673-F784 HydrophobicContact CD1-CD1 3.6Å; I673-F784 HydrophobicContact CD1-CE1 3.79Å; I673-F784 HydrophobicContact CD1-CG 4.17Å; I673-F784 HydrophobicContact CG1-CD1 3.98Å; I673-F784 HydrophobicContact CG1-CD2 4.46Å; I673-F784 HydrophobicContact CG1-CE1 3.92Å; I673-F784 HydrophobicContact CG1-CE2 4.42Å; I673-F784 HydrophobicContact CG1-CG 4.24Å; I673-F784 HydrophobicContact CG1-CZ 4.14Å; I673-F784 HydrophobicContact CG2-CB 4.38Å; I673-F784 HydrophobicContact CG2-CG 4.31Å; L676-F784 HydrophobicContact CD1-CD2 3.66Å; L676-F784 HydrophobicContact CD1-CE2 3.35Å; L676-F784 HydrophobicContact CD1-CZ 4.3Å; K780-F784 WeakPolarHBondContact O-CB 3.48Å; K780-F784 PolarHBondContact O-N 3.45Å; I781-F784 PolarHBondContact O-N 2.9Å; F784-A786 VanDerWaalsContact C-N 3.25Å; F784-A786 PolarHBondContact O-N 3.1Å; F784-A787 PolarHBondContact O-N 3.17Å
785	Y	65.8	Low	68.9	Low	111 Å²	111	61.3 Å²	61.3	44%	0.435	32%	0.315	S	S	.	.	H	α-helix	trans	-77.3	-8.5	179.9	-76.5	-72.5	0	0	0	114.1	I673 I781 A787 L790	I673-Y785 HydrophobicContact CD1-CE2 4.3Å; I781-Y785 HydrophobicContact CG2-CD2 3.78Å; I781-Y785 HydrophobicContact CG2-CE2 3.96Å; I781-Y785 WeakPolarHBondContact O-CD2 3.46Å; I781-Y785 PolarHBondContact O-N 3.31Å; I781-Y785 VanDerWaalsContact O-N 3.09Å; Y785-A787 PolarHBondContact O-N 2.9Å; Y785-L790 HydrophobicContact CD1-CD1 4.5Å
786	A	61.7	Low	70.3	Confident	49 Å²	49	60.9 Å²	60.9	41%	0.405	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-14	170.6	0	0	0	0	0	113	R782 F784 P788	R782-A786 WeakPolarHBondContact O-CB 3.39Å; R782-A786 PolarHBondContact O-N 3.14Å; F784-A786 VanDerWaalsContact C-N 3.25Å; F784-A786 PolarHBondContact O-N 3.1Å; A786-P788 WeakPolarHBondContact O-CD 3.49Å
787	A	59.9	Low	71.3	Confident	45 Å²	45	61.3 Å²	61.3	37%	0.372	31%	0.312	S	S	.	.			trans	-75.4	114	177.6	0	0	0	0	0	112.2	F784 Y785 I789	F784-A787 PolarHBondContact O-N 3.17Å; Y785-A787 PolarHBondContact O-N 2.9Å; A787-I789 VanDerWaalsContact C-N 3.27Å; A787-I789 PolarHBondContact O-N 3.05Å; A787-I789 VanDerWaalsContact O-N 3.15Å
788	P	61.1	Low	72.3	Confident	51 Å²	51	58.1 Å²	58.1	33%	0.331	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-17.6	-168.5	25.7	-34.7	0	0	0	114.9	A786 L790 S791 Y792 Y1025	A786-P788 WeakPolarHBondContact O-CD 3.49Å; P788-L790 PolarHBondContact O-N 2.97Å; P788-S791 PolarHBondContact O-N 3.4Å; P788-S791 PolarHBondContact O-OG 3.27Å; P788-Y792 PolarHBondContact O-N 3.17Å; P788-Y1025 HydrophobicContact CG-CD1 3.94Å; P788-Y1025 HydrophobicContact CG-CE1 4.21Å
789	I	68.2	Low	73.3	Confident	68 Å²	68	50.5 Å²	50.5	35%	0.349	26%	0.258	S	S	.	.	H	α-helix	trans	-58.2	-36.3	-172.6	-58.1	170.2	0	0	0	111.6	W649 A787 Y792 L793 V892	W649-I789 HydrophobicContact CZ2-CD1 4.29Å; A787-I789 VanDerWaalsContact C-N 3.27Å; A787-I789 PolarHBondContact O-N 3.05Å; A787-I789 VanDerWaalsContact O-N 3.15Å; I789-Y792 PolarHBondContact O-N 3.02Å; I789-L793 HydrophobicContact CG2-CD1 4.07Å; I789-L793 HydrophobicContact CG2-CG 4.36Å; I789-L793 WeakPolarHBondContact O-CG 3.21Å; I789-L793 PolarHBondContact O-N 3.07Å; I789-V892 HydrophobicContact CG1-CG1 4.34Å
790	L	66.5	Low	74.4	Confident	44 Å²	44	49.3 Å²	49.3	23%	0.23	26%	0.255	C	S	.	.	H	α-helix	trans	-68	-45	-176	-56.8	178.9	0	0	0	112.4	V667 Y785 P788 Y792 L793 F794	V667-L790 HydrophobicContact CB-CD2 4.15Å; V667-L790 HydrophobicContact CG1-CD1 4.42Å; V667-L790 HydrophobicContact CG1-CD2 3.62Å; V667-L790 HydrophobicContact CG2-CD1 3.67Å; V667-L790 HydrophobicContact CG2-CD2 3.36Å; V667-L790 HydrophobicContact CG2-CG 4.12Å; Y785-L790 HydrophobicContact CD1-CD1 4.5Å; P788-L790 PolarHBondContact O-N 2.97Å; L790-Y792 PolarHBondContact O-N 3.33Å; L790-L793 PolarHBondContact O-N 3.45Å; L790-F794 PolarHBondContact O-N 3.19Å
791	S	70.9	Confident	75.4	Confident	17 Å²	17	53.3 Å²	53.3	12%	0.119	27%	0.27	C	S	.	.	H	α-helix	trans	-60.2	-36.2	177.3	70.8	0	0	0	0	111.7	P788 F795	P788-S791 PolarHBondContact O-N 3.4Å; P788-S791 PolarHBondContact O-OG 3.27Å; S791-F795 WeakPolarHBondContact O-CB 3.35Å; S791-F795 PolarHBondContact O-N 2.98Å
792	Y	79.4	Confident	76.2	Confident	22 Å²	22	51.2 Å²	51.2	9%	0.086	26%	0.259	C	S	.	.	H	α-helix	trans	-74.6	-40	-179	-169.9	-106.9	0	0	0	112.8	P788 I789 L790 F795 L796 F821 W885 R888 L889 V892	P788-Y792 PolarHBondContact O-N 3.17Å; I789-Y792 PolarHBondContact O-N 3.02Å; L790-Y792 PolarHBondContact O-N 3.33Å; Y792-F795 HydrophobicContact CD2-CD1 4.15Å; Y792-F795 HydrophobicContact CE2-CD1 4.03Å; Y792-F795 HydrophobicContact CE2-CE1 4.21Å; Y792-F795 WeakPolarHBondContact O-CB 3.48Å; Y792-F795 PolarHBondContact O-N 3.07Å; Y792-L796 HydrophobicContact CD1-CD1 3.99Å; Y792-L796 HydrophobicContact CD1-CG 4.49Å; Y792-L796 HydrophobicContact CE1-CD1 3.6Å; Y792-L796 HydrophobicContact CE1-CG 4.14Å; Y792-L796 WeakPolarHBondContact O-CG 3.22Å; Y792-L796 PolarHBondContact O-N 3.43Å; Y792-F821 HydrophobicContact CD2-CE1 4.27Å; Y792-F821 AromaticContact CD2-CZ 3.91Å; Y792-F821 HydrophobicContact CD2-CZ 3.91Å; Y792-W885 PolarHBondContact OH-O 3.09Å; Y792-R888 WeakPolarHBondContact OH-CB 3.39Å; Y792-L889 HydrophobicContact CD1-CD1 4.08Å; Y792-L889 HydrophobicContact CE1-CB 4.16Å; Y792-L889 HydrophobicContact CE1-CD1 3.82Å; Y792-V892 HydrophobicContact CD1-CG2 4.35Å; Y792-V892 HydrophobicContact CE1-CG2 4.35Å
793	L	80.1	Confident	77.2	Confident	84 Å²	84	45.1 Å²	45.1	44%	0.44	24%	0.239	S	C	.	.	H	α-helix	trans	-64.7	-42.8	174.4	-72.2	175.2	0	0	0	111.6	I789 L790 F795 L796 T797	I789-L793 HydrophobicContact CG2-CD1 4.07Å; I789-L793 HydrophobicContact CG2-CG 4.36Å; I789-L793 WeakPolarHBondContact O-CG 3.21Å; I789-L793 PolarHBondContact O-N 3.07Å; L790-L793 PolarHBondContact O-N 3.45Å; L793-F795 PolarHBondContact O-N 3.28Å; L793-L796 PolarHBondContact O-N 3.3Å; L793-T797 WeakPolarHBondContact O-CG2 3.26Å; L793-T797 PolarHBondContact O-N 3.33Å; L793-T797 PolarHBondContact O-OG1 3.37Å
794	F	82.3	Confident	78.3	Confident	99 Å²	99	49.5 Å²	49.5	43%	0.434	26%	0.264	S	S	.	.	H	α-helix	trans	-61.3	-44.8	175.3	-176.1	-100.2	0	0	0	111.5	L790 L796 T797 C798 Y817	L790-F794 PolarHBondContact O-N 3.19Å; F794-L796 PolarHBondContact O-N 3.25Å; F794-T797 WeakPolarHBondContact CA-OG1 3.43Å; F794-T797 PolarHBondContact O-N 3.06Å; F794-T797 PolarHBondContact O-OG1 3.03Å; F794-C798 VanDerWaalsContact CE1-SG 3.56Å; F794-C798 PolarHBondContact O-N 2.66Å; F794-C798 PolarHBondContact O-SG 3.09Å; F794-Y817 AromaticContact CD1-CE1 3.67Å; F794-Y817 HydrophobicContact CD1-CE1 3.67Å; F794-Y817 HydrophobicContact CD1-CE2 4.38Å; F794-Y817 AromaticContact CD1-CZ 3.56Å; F794-Y817 WeakPolarHBondContact CD1-OH 3.34Å; F794-Y817 HydrophobicContact CE1-CD1 4.25Å; F794-Y817 AromaticContact CE1-CE1 3.75Å; F794-Y817 HydrophobicContact CE1-CE1 3.75Å; F794-Y817 HydrophobicContact CE1-CE2 4.13Å; F794-Y817 AromaticContact CE1-CZ 3.7Å
795	F	86.6	Confident	79.1	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-54	-48	171.8	161.7	-98.9	0	0	0	113	S791 Y792 L793 T797 C798 F799 Y817 V818 F821 V822 W885	S791-F795 WeakPolarHBondContact O-CB 3.35Å; S791-F795 PolarHBondContact O-N 2.98Å; Y792-F795 HydrophobicContact CD2-CD1 4.15Å; Y792-F795 HydrophobicContact CE2-CD1 4.03Å; Y792-F795 HydrophobicContact CE2-CE1 4.21Å; Y792-F795 WeakPolarHBondContact O-CB 3.48Å; Y792-F795 PolarHBondContact O-N 3.07Å; L793-F795 PolarHBondContact O-N 3.28Å; F795-T797 VanDerWaalsContact C-N 3.33Å; F795-T797 PolarHBondContact O-N 2.63Å; F795-C798 PolarHBondContact O-N 3Å; F795-F799 WeakPolarHBondContact O-CB 3.37Å; F795-F799 PolarHBondContact O-N 3.07Å; F795-Y817 HydrophobicContact CB-CE1 4.43Å; F795-V818 HydrophobicContact CD2-CG1 4.39Å; F795-V818 HydrophobicContact CD2-CG2 4.36Å; F795-V818 HydrophobicContact CE2-CB 4.42Å; F795-V818 HydrophobicContact CE2-CG1 3.73Å; F795-V818 HydrophobicContact CE2-CG2 4.46Å; F795-F821 HydrophobicContact CB-CD1 4.33Å; F795-F821 HydrophobicContact CB-CD2 3.77Å; F795-F821 HydrophobicContact CB-CE1 4.25Å; F795-F821 HydrophobicContact CB-CE2 3.7Å; F795-F821 HydrophobicContact CB-CG 4.13Å; F795-F821 HydrophobicContact CB-CZ 3.96Å; F795-F821 HydrophobicContact CD1-CD1 4.12Å; F795-F821 AromaticContact CD1-CE1 3.85Å; F795-F821 HydrophobicContact CD1-CE1 3.85Å; F795-F821 HydrophobicContact CD1-CZ 4.21Å; F795-F821 HydrophobicContact CD2-CB 3.7Å; F795-F821 AromaticContact CD2-CD1 3.3Å; F795-F821 HydrophobicContact CD2-CD1 3.3Å; F795-F821 AromaticContact CD2-CD2 3.9Å; F795-F821 HydrophobicContact CD2-CD2 3.9Å; F795-F821 AromaticContact CD2-CE1 3.88Å; F795-F821 HydrophobicContact CD2-CE1 3.88Å; F795-F821 HydrophobicContact CD2-CE2 4.41Å; F795-F821 AromaticContact CD2-CG 3.34Å; F795-F821 HydrophobicContact CD2-CG 3.34Å; F795-F821 HydrophobicContact CD2-CZ 4.41Å; F795-F821 HydrophobicContact CE1-CD1 4.27Å; F795-F821 HydrophobicContact CE1-CE1 4.14Å; F795-F821 HydrophobicContact CE2-CB 4.05Å; F795-F821 AromaticContact CE2-CD1 3.45Å; F795-F821 HydrophobicContact CE2-CD1 3.45Å; F795-F821 VanDerWaalsContact CE2-CD1 3.45Å; F795-F821 HydrophobicContact CE2-CE1 4.13Å; F795-F821 AromaticContact CE2-CG 3.86Å; F795-F821 HydrophobicContact CE2-CG 3.86Å; F795-F821 AromaticContact CG-CD1 3.65Å; F795-F821 HydrophobicContact CG-CD1 3.65Å; F795-F821 AromaticContact CG-CD2 3.99Å; F795-F821 HydrophobicContact CG-CD2 3.99Å; F795-F821 AromaticContact CG-CE1 3.71Å; F795-F821 HydrophobicContact CG-CE1 3.71Å; F795-F821 HydrophobicContact CG-CE2 4.06Å; F795-F821 AromaticContact CG-CG 3.82Å; F795-F821 HydrophobicContact CG-CG 3.82Å; F795-F821 AromaticContact CG-CZ 3.94Å; F795-F821 HydrophobicContact CG-CZ 3.94Å; F795-F821 AromaticContact CZ-CD1 3.96Å; F795-F821 HydrophobicContact CZ-CD1 3.96Å; F795-F821 HydrophobicContact CZ-CE1 4.28Å; F795-V822 HydrophobicContact CE2-CG2 4.02Å; F795-V822 HydrophobicContact CZ-CG2 4.23Å; F795-W885 HydrophobicContact CE1-CB 4.1Å; F795-W885 AromaticContact CE1-CD2 3.73Å; F795-W885 HydrophobicContact CE1-CD2 3.73Å; F795-W885 AromaticContact CE1-CE3 3.63Å; F795-W885 HydrophobicContact CE1-CE3 3.63Å; F795-W885 AromaticContact CE1-CG 3.94Å; F795-W885 HydrophobicContact CE1-CG 3.94Å; F795-W885 HydrophobicContact CE1-CZ3 4.36Å; F795-W885 AromaticContact CZ-CD2 3.59Å; F795-W885 HydrophobicContact CZ-CD2 3.59Å; F795-W885 AromaticContact CZ-CE2 3.96Å; F795-W885 AromaticContact CZ-CE3 3.72Å; F795-W885 HydrophobicContact CZ-CE3 3.72Å; F795-W885 AromaticContact CZ-CG 3.98Å; F795-W885 HydrophobicContact CZ-CG 3.98Å; F795-W885 HydrophobicContact CZ-CZ2 4.43Å; F795-W885 HydrophobicContact CZ-CZ3 4.2Å
796	L	87.7	Confident	79.6	Confident	9 Å²	9	56.5 Å²	56.5	5%	0.047	30%	0.302	C	S	.	.	H	α-helix	trans	-62.5	-39.7	178	-75.2	174.1	0	0	0	112	Y792 L793 F794 F799 T800 W885 L889	Y792-L796 HydrophobicContact CD1-CD1 3.99Å; Y792-L796 HydrophobicContact CD1-CG 4.49Å; Y792-L796 HydrophobicContact CE1-CD1 3.6Å; Y792-L796 HydrophobicContact CE1-CG 4.14Å; Y792-L796 WeakPolarHBondContact O-CG 3.22Å; Y792-L796 PolarHBondContact O-N 3.43Å; L793-L796 PolarHBondContact O-N 3.3Å; F794-L796 PolarHBondContact O-N 3.25Å; L796-F799 PolarHBondContact O-N 3.09Å; L796-T800 VanDerWaalsContact O-CB 3.31Å; L796-T800 WeakPolarHBondContact O-CB 3.39Å; L796-T800 PolarHBondContact O-N 3.5Å; L796-T800 PolarHBondContact O-OG1 3.08Å; L796-W885 HydrophobicContact CD2-CB 3.92Å; L796-L889 HydrophobicContact CD1-CD1 4.13Å; L796-L889 HydrophobicContact CD1-CD2 4.36Å
797	T	87.1	Confident	80	Confident	85 Å²	85	55.1 Å²	55.1	52%	0.521	29%	0.291	S	S	.	.	H	α-helix	trans	-66	-44.8	177	54.5	0	0	0	0	112.4	L793 F794 F795 F799 T800 Y801	L793-T797 WeakPolarHBondContact O-CG2 3.26Å; L793-T797 PolarHBondContact O-N 3.33Å; L793-T797 PolarHBondContact O-OG1 3.37Å; F794-T797 WeakPolarHBondContact CA-OG1 3.43Å; F794-T797 PolarHBondContact O-N 3.06Å; F794-T797 PolarHBondContact O-OG1 3.03Å; F795-T797 VanDerWaalsContact C-N 3.33Å; F795-T797 PolarHBondContact O-N 2.63Å; T797-F799 VanDerWaalsContact C-N 3.33Å; T797-F799 PolarHBondContact O-N 3.12Å; T797-T800 PolarHBondContact O-N 2.58Å; T797-Y801 WeakPolarHBondContact O-CB 3.33Å; T797-Y801 PolarHBondContact O-N 2.91Å
798	C	87.6	Confident	80.6	Confident	11 Å²	11	56.7 Å²	56.7	7%	0.074	30%	0.295	C	S	.	.	H	α-helix	trans	-62	-42.3	175.3	-69.5	0	0	0	0	111.4	F794 F795 Y801 I802 Y817 V818	F794-C798 VanDerWaalsContact CE1-SG 3.56Å; F794-C798 PolarHBondContact O-N 2.66Å; F794-C798 PolarHBondContact O-SG 3.09Å; F795-C798 PolarHBondContact O-N 3Å; C798-Y801 WeakPolarHBondContact O-CB 3.33Å; C798-Y801 PolarHBondContact O-N 3.35Å; C798-I802 WeakPolarHBondContact O-CD1 3.49Å; C798-I802 VanDerWaalsContact O-CG1 3.28Å; C798-I802 WeakPolarHBondContact O-CG1 3.44Å; C798-I802 PolarHBondContact O-N 3.47Å; C798-I802 VanDerWaalsContact O-N 3.09Å; C798-Y817 HydrophobicContact CB-CD1 4.33Å; C798-V818 HydrophobicContact CB-CG2 4.08Å
799	F	89.9	Confident	81.2	Confident	2 Å²	2	59.9 Å²	59.9	1%	0.009	32%	0.316	C	S	.	.	H	α-helix	trans	-69.5	-38.5	-179.6	-167.1	-147.5	0	0	0	112.3	F795 L796 T797 Y801 I802 V803 V818 Y858 N881 I882 W885	F795-F799 WeakPolarHBondContact O-CB 3.37Å; F795-F799 PolarHBondContact O-N 3.07Å; L796-F799 PolarHBondContact O-N 3.09Å; T797-F799 VanDerWaalsContact C-N 3.33Å; T797-F799 PolarHBondContact O-N 3.12Å; F799-Y801 VanDerWaalsContact C-N 3.33Å; F799-Y801 PolarHBondContact O-N 3.03Å; F799-I802 PolarHBondContact O-N 3.26Å; F799-V803 HydrophobicContact CD2-CG2 4.23Å; F799-V803 HydrophobicContact CE2-CG2 4Å; F799-V803 HydrophobicContact CZ-CG2 4.36Å; F799-V803 WeakPolarHBondContact O-CG2 3.49Å; F799-V803 PolarHBondContact O-N 2.84Å; F799-V803 VanDerWaalsContact O-N 3.08Å; F799-V818 HydrophobicContact CB-CG1 4.35Å; F799-V818 HydrophobicContact CB-CG2 4.15Å; F799-V818 HydrophobicContact CD2-CG1 3.81Å; F799-V818 HydrophobicContact CE2-CG1 4.35Å; F799-V818 HydrophobicContact CG-CG1 4.12Å; F799-Y858 HydrophobicContact CE2-CD2 4.34Å; F799-Y858 AromaticContact CE2-CE2 3.93Å; F799-Y858 HydrophobicContact CE2-CE2 3.93Å; F799-Y858 HydrophobicContact CZ-CD2 4.08Å; F799-Y858 HydrophobicContact CZ-CE2 4.12Å; F799-N881 HydrophobicContact CZ-CB 4.45Å; F799-I882 HydrophobicContact CD1-CB 4.24Å; F799-I882 HydrophobicContact CD1-CD1 4.33Å; F799-I882 HydrophobicContact CD1-CG1 3.73Å; F799-I882 HydrophobicContact CE1-CB 3.85Å; F799-I882 HydrophobicContact CE1-CG1 3.88Å; F799-I882 HydrophobicContact CZ-CB 4.48Å; F799-W885 AromaticContact CD1-CD1 3.94Å; F799-W885 HydrophobicContact CD1-CG 4.45Å; F799-W885 AromaticContact CE1-CD1 3.48Å; F799-W885 VanDerWaalsContact CE1-CD1 3.48Å; F799-W885 HydrophobicContact CE1-CG 4.38Å; F799-W885 AromaticContact CE1-NE1 3.88Å
800	T	91.2	Very high	81.7	Confident	32 Å²	32	63.9 Å²	63.9	20%	0.196	33%	0.333	C	S	.	.	H	α-helix	trans	-61.9	-41.7	173.3	-55.8	0	0	0	0	111.5	L796 T797 I802 V803 L804 Y886	L796-T800 VanDerWaalsContact O-CB 3.31Å; L796-T800 WeakPolarHBondContact O-CB 3.39Å; L796-T800 PolarHBondContact O-N 3.5Å; L796-T800 PolarHBondContact O-OG1 3.08Å; T797-T800 PolarHBondContact O-N 2.58Å; T800-I802 PolarHBondContact O-N 3.46Å; T800-V803 PolarHBondContact O-N 2.93Å; T800-L804 HydrophobicContact CG2-CD1 3.7Å; T800-L804 HydrophobicContact CG2-CG 4.31Å; T800-L804 WeakPolarHBondContact O-CB 3.31Å; T800-L804 WeakPolarHBondContact O-CG 3.36Å; T800-L804 PolarHBondContact O-N 3.18Å; T800-Y886 PolarHBondContact OG1-OH 3.14Å
801	Y	89.8	Confident	82.3	Confident	120 Å²	120	63.7 Å²	63.7	47%	0.471	34%	0.335	S	S	.	.	H	α-helix	trans	-58.7	-46.6	175.2	176.3	-96.5	0	0	0	111.8	T797 C798 F799 V803 L804 V805	T797-Y801 WeakPolarHBondContact O-CB 3.33Å; T797-Y801 PolarHBondContact O-N 2.91Å; C798-Y801 WeakPolarHBondContact O-CB 3.33Å; C798-Y801 PolarHBondContact O-N 3.35Å; F799-Y801 VanDerWaalsContact C-N 3.33Å; F799-Y801 PolarHBondContact O-N 3.03Å; Y801-V803 VanDerWaalsContact C-N 3.28Å; Y801-V803 PolarHBondContact O-N 3.29Å; Y801-L804 PolarHBondContact O-N 2.93Å; Y801-V805 HydrophobicContact CD2-CG2 3.72Å; Y801-V805 HydrophobicContact CE2-CB 4.33Å; Y801-V805 HydrophobicContact CE2-CG2 3.58Å; Y801-V805 HydrophobicContact CG-CG2 4.35Å; Y801-V805 WeakPolarHBondContact O-CB 3.21Å; Y801-V805 WeakPolarHBondContact O-CG2 3.5Å; Y801-V805 PolarHBondContact O-N 3.36Å
802	I	86.4	Confident	82.9	Confident	20 Å²	20	68.4 Å²	68.4	10%	0.103	35%	0.351	C	S	.	.	H	α-helix	trans	-62.7	-35.2	178.7	-65.7	159.7	0	0	0	112	C798 F799 T800 A814 E815 V818	C798-I802 WeakPolarHBondContact O-CD1 3.49Å; C798-I802 VanDerWaalsContact O-CG1 3.28Å; C798-I802 WeakPolarHBondContact O-CG1 3.44Å; C798-I802 PolarHBondContact O-N 3.47Å; C798-I802 VanDerWaalsContact O-N 3.09Å; F799-I802 PolarHBondContact O-N 3.26Å; T800-I802 PolarHBondContact O-N 3.46Å; I802-A814 HydrophobicContact CD1-CB 4.11Å; I802-A814 HydrophobicContact CG1-CB 4.23Å; I802-E815 HydrophobicContact CD1-CB 4.41Å; I802-E815 HydrophobicContact CD1-CG 3.76Å; I802-E815 HydrophobicContact CG1-CG 3.97Å; I802-E815 HydrophobicContact CG2-CG 3.9Å; I802-V818 HydrophobicContact CD1-CB 4.23Å; I802-V818 HydrophobicContact CD1-CG2 3.67Å
803	V	87.5	Confident	83.1	Confident	28 Å²	28	74.4 Å²	74.4	17%	0.17	37%	0.373	C	S	.	.	H	α-helix	trans	-78.4	-34.7	-177.4	171.2	0	0	0	0	112.5	F799 T800 Y801 K879 I882	F799-V803 HydrophobicContact CD2-CG2 4.23Å; F799-V803 HydrophobicContact CE2-CG2 4Å; F799-V803 HydrophobicContact CZ-CG2 4.36Å; F799-V803 WeakPolarHBondContact O-CG2 3.49Å; F799-V803 PolarHBondContact O-N 2.84Å; F799-V803 VanDerWaalsContact O-N 3.08Å; T800-V803 PolarHBondContact O-N 2.93Å; Y801-V803 VanDerWaalsContact C-N 3.28Å; Y801-V803 PolarHBondContact O-N 3.29Å; V803-K879 HydrophobicContact CG1-CB 4.34Å; V803-K879 HydrophobicContact CG1-CG 3.75Å; V803-I882 HydrophobicContact CB-CD1 4.3Å; V803-I882 HydrophobicContact CG2-CD1 4.15Å
804	L	88.7	Confident	83.5	Confident	139 Å²	139	70.6 Å²	70.6	73%	0.728	35%	0.354	S	S	*	.	H	α-helix	trans	-87.9	-37.3	-177.2	-71.2	175.4	0	0	0	113.9	T800 Y801	T800-L804 HydrophobicContact CG2-CD1 3.7Å; T800-L804 HydrophobicContact CG2-CG 4.31Å; T800-L804 WeakPolarHBondContact O-CB 3.31Å; T800-L804 WeakPolarHBondContact O-CG 3.36Å; T800-L804 PolarHBondContact O-N 3.18Å; Y801-L804 PolarHBondContact O-N 2.93Å
805	V	83.7	Confident	83.7	Confident	69 Å²	69	66.3 Å²	66.3	42%	0.418	34%	0.335	S	S	.	.	S	Bend	trans	-84.6	144.6	-174.2	179.6	0	0	0	0	110.8	Y801 A807	Y801-V805 HydrophobicContact CD2-CG2 3.72Å; Y801-V805 HydrophobicContact CE2-CB 4.33Å; Y801-V805 HydrophobicContact CE2-CG2 3.58Å; Y801-V805 HydrophobicContact CG-CG2 4.35Å; Y801-V805 WeakPolarHBondContact O-CB 3.21Å; Y801-V805 WeakPolarHBondContact O-CG2 3.5Å; Y801-V805 PolarHBondContact O-N 3.36Å; V805-A807 PolarHBondContact O-N 3.39Å
806	K	75.8	Confident	83.7	Confident	193 Å²	193	72.7 Å²	72.7	84%	0.839	36%	0.36	S	S	*	.			trans	-55	112.2	179.1	-174.8	179	-179.6	-179.8	0	110
807	A	69.4	Low	83.7	Confident	20 Å²	20	74.5 Å²	74.5	17%	0.165	37%	0.367	C	S	.	.			trans	-71.1	134.3	179.2	0	0	0	0	0	111.3	V805 R875	V805-A807 PolarHBondContact O-N 3.39Å; A807-R875 PolarHBondContact O-NH2 3.13Å
808	T	73.4	Confident	83.8	Confident	77 Å²	77	70.4 Å²	70.4	47%	0.472	34%	0.342	S	S	.	.			trans	-75.7	157.3	166.7	43.4	0	0	0	0	110.4	E810	T808-E810 PolarHBondContact O-N 2.83Å; T808-E810 PolarHBondContact OG1-O 3.47Å
809	P	72.8	Confident	83.9	Confident	118 Å²	118	72.9 Å²	72.9	77%	0.766	35%	0.351	S	S	*	.	S	Bend	trans	-62.8	-27.6	174	24.7	-32.8	0	0	0	112
810	E	78.1	Confident	83.7	Confident	152 Å²	152	74 Å²	74	71%	0.71	36%	0.361	S	S	*	.	S	Bend	trans	-92.2	138.7	174.2	-63.5	-178.4	179.9	0	0	111.5	T808	T808-E810 PolarHBondContact O-N 2.83Å; T808-E810 PolarHBondContact OG1-O 3.47Å
811	P	79.1	Confident	83.4	Confident	40 Å²	40	72.7 Å²	72.7	26%	0.26	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-69.5	129.6	178.6	28.7	-35.5	0	0	0	111.5	E815 Y816	P811-E815 WeakPolarHBondContact CA-OE2 3.42Å; P811-E815 HydrophobicContact CB-CB 4.42Å; P811-E815 WeakPolarHBondContact CB-OE2 3.36Å; P811-Y816 HydrophobicContact CB-CE2 3.95Å; P811-Y816 HydrophobicContact CG-CE1 4.5Å; P811-Y816 HydrophobicContact CG-CE2 3.8Å; P811-Y816 WeakPolarHBondContact CG-OH 3.45Å
812	Y	83.4	Confident	83.3	Confident	116 Å²	116	67 Å²	67	46%	0.455	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-78.8	162.1	177.2	-162.2	-119.4	0	0	0	111.6	A814 E815 Y816	Y812-A814 HydrophobicContact CD1-CB 3.96Å; Y812-A814 PolarHBondContact O-N 3.44Å; Y812-A814 VanDerWaalsContact O-N 3.09Å; Y812-E815 WeakPolarHBondContact O-CB 3.3Å; Y812-E815 PolarHBondContact O-N 3.04Å; Y812-Y816 WeakPolarHBondContact O-CD2 3.37Å; Y812-Y816 PolarHBondContact O-N 2.73Å
813	W	85.1	Confident	83.3	Confident	149 Å²	149	68.6 Å²	68.6	56%	0.564	34%	0.339	S	S	*	.	H	α-helix	trans	-55.2	-32.8	178.5	67.5	-100.1	0	0	0	112.9	E815 Y816 Y817	W813-E815 VanDerWaalsContact C-N 3.27Å; W813-E815 PolarHBondContact O-N 3.25Å; W813-Y816 PolarHBondContact O-N 2.72Å; W813-Y817 PolarHBondContact O-N 3.48Å
814	A	87.3	Confident	82.9	Confident	3 Å²	3	67.2 Å²	67.2	3%	0.025	33%	0.331	C	S	.	.	H	α-helix	trans	-63.1	-33.1	177.6	0	0	0	0	0	112.4	I802 Y812 Y817 V818	I802-A814 HydrophobicContact CD1-CB 4.11Å; I802-A814 HydrophobicContact CG1-CB 4.23Å; Y812-A814 HydrophobicContact CD1-CB 3.96Å; Y812-A814 PolarHBondContact O-N 3.44Å; Y812-A814 VanDerWaalsContact O-N 3.09Å; A814-Y817 WeakPolarHBondContact O-CB 3.47Å; A814-Y817 PolarHBondContact O-N 3.01Å; A814-V818 WeakPolarHBondContact O-CG2 3.42Å; A814-V818 PolarHBondContact O-N 3.46Å
815	E	87.6	Confident	82.5	Confident	9 Å²	9	62 Å²	62	4%	0.042	30%	0.302	C	S	.	.	H	α-helix	trans	-71.2	-39.9	177.8	-71.7	168.5	-143.6	0	0	111.9	I802 P811 Y812 W813 Y817 V818 F819 F862 R865	I802-E815 HydrophobicContact CD1-CB 4.41Å; I802-E815 HydrophobicContact CD1-CG 3.76Å; I802-E815 HydrophobicContact CG1-CG 3.97Å; I802-E815 HydrophobicContact CG2-CG 3.9Å; P811-E815 WeakPolarHBondContact CA-OE2 3.42Å; P811-E815 HydrophobicContact CB-CB 4.42Å; P811-E815 WeakPolarHBondContact CB-OE2 3.36Å; Y812-E815 WeakPolarHBondContact O-CB 3.3Å; Y812-E815 PolarHBondContact O-N 3.04Å; W813-E815 VanDerWaalsContact C-N 3.27Å; W813-E815 PolarHBondContact O-N 3.25Å; E815-Y817 VanDerWaalsContact C-N 3.28Å; E815-Y817 PolarHBondContact O-N 3.01Å; E815-V818 PolarHBondContact O-N 3.26Å; E815-F819 VanDerWaalsContact O-CB 3.27Å; E815-F819 WeakPolarHBondContact O-CB 3.47Å; E815-F819 PolarHBondContact O-N 3.46Å; E815-F862 HydrophobicContact CB-CE2 4.37Å; E815-R865 IonicContact OE1-CZ 3.92Å; E815-R865 IonicContact OE1-NH1 3.31Å; E815-R865 PolarHBondContact OE1-NH1 3.39Å; E815-R865 IonicContact OE1-NH2 3.81Å; E815-R865 PolarHBondContact OE1-NH2 3.49Å; E815-R865 IonicContact OE2-CZ 3.56Å; E815-R865 IonicContact OE2-NE 2.91Å; E815-R865 PolarHBondContact OE2-NE 3.37Å; E815-R865 VanDerWaalsContact OE2-NE 3.14Å; E815-R865 IonicContact OE2-NH1 2.76Å; E815-R865 PolarHBondContact OE2-NH1 3.46Å; E815-R865 VanDerWaalsContact OE2-NH1 3.17Å; E815-R865 IonicContact OE2-NH2 2.72Å; E815-R865 PolarHBondContact OE2-NH2 3.14Å; E815-R865 VanDerWaalsContact OE2-NH2 3.1Å
816	Y	86.9	Confident	82.4	Confident	134 Å²	134	61.5 Å²	61.5	53%	0.525	29%	0.294	S	S	.	.	H	α-helix	trans	-62.9	-38.3	172.6	-68.2	-69.3	0	0	0	111.6	P811 Y812 W813 F819 A820	P811-Y816 HydrophobicContact CB-CE2 3.95Å; P811-Y816 HydrophobicContact CG-CE1 4.5Å; P811-Y816 HydrophobicContact CG-CE2 3.8Å; P811-Y816 WeakPolarHBondContact CG-OH 3.45Å; Y812-Y816 WeakPolarHBondContact O-CD2 3.37Å; Y812-Y816 PolarHBondContact O-N 2.73Å; W813-Y816 PolarHBondContact O-N 2.72Å; Y816-F819 PolarHBondContact O-N 3.24Å; Y816-A820 WeakPolarHBondContact O-CB 3.28Å; Y816-A820 PolarHBondContact O-N 3.14Å
817	Y	87.5	Confident	82.4	Confident	47 Å²	47	54.1 Å²	54.1	18%	0.184	27%	0.266	C	S	.	.	H	α-helix	trans	-61.3	-49.9	173.6	175.8	-94.6	0	0	0	112.1	F794 F795 C798 W813 A814 E815 F819 A820 F821 P1034	F794-Y817 AromaticContact CD1-CE1 3.67Å; F794-Y817 HydrophobicContact CD1-CE1 3.67Å; F794-Y817 HydrophobicContact CD1-CE2 4.38Å; F794-Y817 AromaticContact CD1-CZ 3.56Å; F794-Y817 WeakPolarHBondContact CD1-OH 3.34Å; F794-Y817 HydrophobicContact CE1-CD1 4.25Å; F794-Y817 AromaticContact CE1-CE1 3.75Å; F794-Y817 HydrophobicContact CE1-CE1 3.75Å; F794-Y817 HydrophobicContact CE1-CE2 4.13Å; F794-Y817 AromaticContact CE1-CZ 3.7Å; F795-Y817 HydrophobicContact CB-CE1 4.43Å; C798-Y817 HydrophobicContact CB-CD1 4.33Å; W813-Y817 PolarHBondContact O-N 3.48Å; A814-Y817 WeakPolarHBondContact O-CB 3.47Å; A814-Y817 PolarHBondContact O-N 3.01Å; E815-Y817 VanDerWaalsContact C-N 3.28Å; E815-Y817 PolarHBondContact O-N 3.01Å; Y817-F819 VanDerWaalsContact C-N 3.34Å; Y817-F819 PolarHBondContact O-N 3.25Å; Y817-A820 PolarHBondContact O-N 3.17Å; Y817-F821 WeakPolarHBondContact O-CB 3.45Å; Y817-F821 PolarHBondContact O-N 2.84Å; Y817-P1034 HydrophobicContact CE2-CB 4.26Å; Y817-P1034 HydrophobicContact CE2-CG 3.85Å
818	V	88.5	Confident	82.4	Confident	0 Å²	0	56 Å²	56	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-63.1	-41.4	177.7	173.7	0	0	0	0	110.5	F795 C798 F799 I802 A814 E815 A820 F821 V822 Y858	F795-V818 HydrophobicContact CD2-CG1 4.39Å; F795-V818 HydrophobicContact CD2-CG2 4.36Å; F795-V818 HydrophobicContact CE2-CB 4.42Å; F795-V818 HydrophobicContact CE2-CG1 3.73Å; F795-V818 HydrophobicContact CE2-CG2 4.46Å; C798-V818 HydrophobicContact CB-CG2 4.08Å; F799-V818 HydrophobicContact CB-CG1 4.35Å; F799-V818 HydrophobicContact CB-CG2 4.15Å; F799-V818 HydrophobicContact CD2-CG1 3.81Å; F799-V818 HydrophobicContact CE2-CG1 4.35Å; F799-V818 HydrophobicContact CG-CG1 4.12Å; I802-V818 HydrophobicContact CD1-CB 4.23Å; I802-V818 HydrophobicContact CD1-CG2 3.67Å; A814-V818 WeakPolarHBondContact O-CG2 3.42Å; A814-V818 PolarHBondContact O-N 3.46Å; E815-V818 PolarHBondContact O-N 3.26Å; V818-A820 PolarHBondContact O-N 3.12Å; V818-F821 WeakPolarHBondContact O-CB 3.42Å; V818-F821 PolarHBondContact O-N 3.45Å; V818-V822 HydrophobicContact CG1-CG2 4.38Å; V818-V822 WeakPolarHBondContact O-CG2 3.49Å; V818-V822 PolarHBondContact O-N 2.87Å; V818-Y858 HydrophobicContact CG1-CE2 3.7Å; V818-Y858 WeakPolarHBondContact CG1-OH 3.38Å
819	F	88.9	Confident	82.3	Confident	63 Å²	63	53.8 Å²	53.8	28%	0.276	26%	0.258	S	S	.	.	H	α-helix	trans	-59.3	-48.2	175	-179.6	-90.8	0	0	0	111.9	E815 Y816 Y817 F821 V822 L823 Y858 F859 F862	E815-F819 VanDerWaalsContact O-CB 3.27Å; E815-F819 WeakPolarHBondContact O-CB 3.47Å; E815-F819 PolarHBondContact O-N 3.46Å; Y816-F819 PolarHBondContact O-N 3.24Å; Y817-F819 VanDerWaalsContact C-N 3.34Å; Y817-F819 PolarHBondContact O-N 3.25Å; F819-F821 VanDerWaalsContact C-N 3.29Å; F819-F821 PolarHBondContact O-N 3.12Å; F819-V822 PolarHBondContact O-N 3.38Å; F819-L823 HydrophobicContact CE1-CD2 4.1Å; F819-L823 VanDerWaalsContact O-CB 3.23Å; F819-L823 WeakPolarHBondContact O-CB 3.34Å; F819-L823 PolarHBondContact O-N 3.36Å; F819-Y858 HydrophobicContact CB-CE1 4.48Å; F819-Y858 HydrophobicContact CD2-CE1 4.11Å; F819-Y858 PolarHBondContact N-OH 2.98Å; F819-F859 HydrophobicContact CE2-CD1 4.16Å; F819-F859 HydrophobicContact CE2-CE1 4.12Å; F819-F862 AromaticContact CD2-CD1 3.7Å; F819-F862 HydrophobicContact CD2-CD1 3.7Å; F819-F862 AromaticContact CD2-CE1 3.74Å; F819-F862 HydrophobicContact CD2-CE1 3.74Å; F819-F862 HydrophobicContact CD2-CG 4.18Å; F819-F862 HydrophobicContact CD2-CZ 4.26Å; F819-F862 AromaticContact CE2-CD1 3.9Å; F819-F862 HydrophobicContact CE2-CD1 3.9Å; F819-F862 HydrophobicContact CE2-CE1 4.06Å; F819-F862 HydrophobicContact CG-CE1 4.43Å
820	A	86.1	Confident	82	Confident	26 Å²	26	52.7 Å²	52.7	22%	0.215	24%	0.244	C	C	.	.	H	α-helix	trans	-62	-37.7	176.7	0	0	0	0	0	112	Y816 Y817 V818 G824 P1034 L1037	Y816-A820 WeakPolarHBondContact O-CB 3.28Å; Y816-A820 PolarHBondContact O-N 3.14Å; Y817-A820 PolarHBondContact O-N 3.17Å; V818-A820 PolarHBondContact O-N 3.12Å; A820-G824 PolarHBondContact O-N 3.1Å; A820-P1034 HydrophobicContact CB-CB 4.49Å; A820-L1037 HydrophobicContact CB-CD1 4.41Å
821	F	85.7	Confident	81.3	Confident	3 Å²	3	50.1 Å²	50.1	1%	0.013	24%	0.235	C	C	.	.	H	α-helix	trans	-63.7	-50.2	175.4	-169.6	-76.8	0	0	0	111.8	Y792 F795 Y817 V818 F819 L823 G824 F825 P1033 P1034	Y792-F821 HydrophobicContact CD2-CE1 4.27Å; Y792-F821 AromaticContact CD2-CZ 3.91Å; Y792-F821 HydrophobicContact CD2-CZ 3.91Å; F795-F821 HydrophobicContact CB-CD1 4.33Å; F795-F821 HydrophobicContact CB-CD2 3.77Å; F795-F821 HydrophobicContact CB-CE1 4.25Å; F795-F821 HydrophobicContact CB-CE2 3.7Å; F795-F821 HydrophobicContact CB-CG 4.13Å; F795-F821 HydrophobicContact CB-CZ 3.96Å; F795-F821 HydrophobicContact CD1-CD1 4.12Å; F795-F821 AromaticContact CD1-CE1 3.85Å; F795-F821 HydrophobicContact CD1-CE1 3.85Å; F795-F821 HydrophobicContact CD1-CZ 4.21Å; F795-F821 HydrophobicContact CD2-CB 3.7Å; F795-F821 AromaticContact CD2-CD1 3.3Å; F795-F821 HydrophobicContact CD2-CD1 3.3Å; F795-F821 AromaticContact CD2-CD2 3.9Å; F795-F821 HydrophobicContact CD2-CD2 3.9Å; F795-F821 AromaticContact CD2-CE1 3.88Å; F795-F821 HydrophobicContact CD2-CE1 3.88Å; F795-F821 HydrophobicContact CD2-CE2 4.41Å; F795-F821 AromaticContact CD2-CG 3.34Å; F795-F821 HydrophobicContact CD2-CG 3.34Å; F795-F821 HydrophobicContact CD2-CZ 4.41Å; F795-F821 HydrophobicContact CE1-CD1 4.27Å; F795-F821 HydrophobicContact CE1-CE1 4.14Å; F795-F821 HydrophobicContact CE2-CB 4.05Å; F795-F821 AromaticContact CE2-CD1 3.45Å; F795-F821 HydrophobicContact CE2-CD1 3.45Å; F795-F821 VanDerWaalsContact CE2-CD1 3.45Å; F795-F821 HydrophobicContact CE2-CE1 4.13Å; F795-F821 AromaticContact CE2-CG 3.86Å; F795-F821 HydrophobicContact CE2-CG 3.86Å; F795-F821 AromaticContact CG-CD1 3.65Å; F795-F821 HydrophobicContact CG-CD1 3.65Å; F795-F821 AromaticContact CG-CD2 3.99Å; F795-F821 HydrophobicContact CG-CD2 3.99Å; F795-F821 AromaticContact CG-CE1 3.71Å; F795-F821 HydrophobicContact CG-CE1 3.71Å; F795-F821 HydrophobicContact CG-CE2 4.06Å; F795-F821 AromaticContact CG-CG 3.82Å; F795-F821 HydrophobicContact CG-CG 3.82Å; F795-F821 AromaticContact CG-CZ 3.94Å; F795-F821 HydrophobicContact CG-CZ 3.94Å; F795-F821 AromaticContact CZ-CD1 3.96Å; F795-F821 HydrophobicContact CZ-CD1 3.96Å; F795-F821 HydrophobicContact CZ-CE1 4.28Å; Y817-F821 WeakPolarHBondContact O-CB 3.45Å; Y817-F821 PolarHBondContact O-N 2.84Å; V818-F821 WeakPolarHBondContact O-CB 3.42Å; V818-F821 PolarHBondContact O-N 3.45Å; F819-F821 VanDerWaalsContact C-N 3.29Å; F819-F821 PolarHBondContact O-N 3.12Å; F821-L823 VanDerWaalsContact C-N 3.33Å; F821-L823 PolarHBondContact O-N 2.74Å; F821-G824 PolarHBondContact O-N 3.09Å; F821-F825 WeakPolarHBondContact O-CB 3.28Å; F821-F825 PolarHBondContact O-N 3.23Å; F821-P1033 HydrophobicContact CD1-CB 4.43Å; F821-P1033 HydrophobicContact CD2-CB 3.9Å; F821-P1033 HydrophobicContact CD2-CG 4.27Å; F821-P1033 HydrophobicContact CE1-CB 4.31Å; F821-P1033 HydrophobicContact CE1-CG 4.29Å; F821-P1033 HydrophobicContact CE2-CB 3.75Å; F821-P1033 HydrophobicContact CE2-CG 3.6Å; F821-P1033 HydrophobicContact CG-CB 4.21Å; F821-P1033 HydrophobicContact CZ-CB 3.95Å; F821-P1033 HydrophobicContact CZ-CG 3.59Å; F821-P1034 HydrophobicContact CD2-CG 4.49Å
822	V	87.3	Confident	80.2	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-64.9	-39.4	179.4	177.5	0	0	0	0	110.9	F795 V818 F819 F825 F826 Y858 F859 W885	F795-V822 HydrophobicContact CE2-CG2 4.02Å; F795-V822 HydrophobicContact CZ-CG2 4.23Å; V818-V822 HydrophobicContact CG1-CG2 4.38Å; V818-V822 WeakPolarHBondContact O-CG2 3.49Å; V818-V822 PolarHBondContact O-N 2.87Å; F819-V822 PolarHBondContact O-N 3.38Å; V822-F825 PolarHBondContact O-N 3.19Å; V822-F826 WeakPolarHBondContact O-CB 3.38Å; V822-F826 PolarHBondContact O-N 3.23Å; V822-Y858 HydrophobicContact CB-CD1 3.88Å; V822-Y858 HydrophobicContact CB-CE1 3.99Å; V822-Y858 HydrophobicContact CB-CG 4.45Å; V822-Y858 HydrophobicContact CG1-CD1 3.62Å; V822-Y858 HydrophobicContact CG1-CE1 4.25Å; V822-Y858 HydrophobicContact CG1-CG 4.05Å; V822-Y858 HydrophobicContact CG2-CD1 3.95Å; V822-Y858 HydrophobicContact CG2-CD2 4.29Å; V822-Y858 HydrophobicContact CG2-CE1 3.99Å; V822-Y858 HydrophobicContact CG2-CE2 4.32Å; V822-Y858 HydrophobicContact CG2-CG 4.11Å; V822-F859 HydrophobicContact CG1-CE1 4.43Å; V822-F859 HydrophobicContact CG1-CZ 4.13Å; V822-W885 HydrophobicContact CB-CH2 4.34Å; V822-W885 HydrophobicContact CB-CZ2 4.22Å; V822-W885 HydrophobicContact CG1-CH2 4.04Å; V822-W885 HydrophobicContact CG1-CZ2 3.81Å; V822-W885 HydrophobicContact CG2-CH2 3.83Å; V822-W885 HydrophobicContact CG2-CZ2 3.46Å; V822-W885 VanDerWaalsContact CG2-CZ2 3.46Å
823	L	86.5	Confident	78.8	Confident	54 Å²	54	54.3 Å²	54.3	28%	0.283	26%	0.262	S	S	.	.	H	α-helix	trans	-64.4	-48	175.3	-175.9	67.1	0	0	0	111.6	F819 F821 F825 F826 C827 F859 L1037	F819-L823 HydrophobicContact CE1-CD2 4.1Å; F819-L823 VanDerWaalsContact O-CB 3.23Å; F819-L823 WeakPolarHBondContact O-CB 3.34Å; F819-L823 PolarHBondContact O-N 3.36Å; F821-L823 VanDerWaalsContact C-N 3.33Å; F821-L823 PolarHBondContact O-N 2.74Å; L823-F825 VanDerWaalsContact C-N 3.28Å; L823-F825 PolarHBondContact O-N 3.12Å; L823-F826 PolarHBondContact O-N 2.87Å; L823-F826 VanDerWaalsContact O-N 3.14Å; L823-C827 PolarHBondContact O-N 3.12Å; L823-C827 PolarHBondContact O-SG 3.31Å; L823-F859 HydrophobicContact CD1-CE1 4.41Å; L823-F859 HydrophobicContact CD1-CZ 4.21Å; L823-L1037 HydrophobicContact CD2-CD1 4.09Å; L823-L1037 HydrophobicContact CD2-CD2 4.29Å; L823-L1037 HydrophobicContact CG-CD1 4.48Å; L823-L1037 HydrophobicContact CG-CD2 4.22Å
824	G	79.7	Confident	77.7	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-58.4	-41.9	176.1	0	0	0	0	0	112	A820 F821 C827 L828	A820-G824 PolarHBondContact O-N 3.1Å; F821-G824 PolarHBondContact O-N 3.09Å; G824-C827 PolarHBondContact O-N 2.83Å; G824-L828 WeakPolarHBondContact O-CG 3.33Å; G824-L828 PolarHBondContact O-N 2.88Å
825	F	79.3	Confident	76.6	Confident	29 Å²	29	57.7 Å²	57.7	13%	0.127	29%	0.29	C	S	.	.	H	α-helix	trans	-65.8	-39.6	175	-170.7	-95.2	0	0	0	112.8	F821 V822 L823 L828 M829 W885	F821-F825 WeakPolarHBondContact O-CB 3.28Å; F821-F825 PolarHBondContact O-N 3.23Å; V822-F825 PolarHBondContact O-N 3.19Å; L823-F825 VanDerWaalsContact C-N 3.28Å; L823-F825 PolarHBondContact O-N 3.12Å; F825-L828 PolarHBondContact O-N 3.41Å; F825-M829 HydrophobicContact CD1-CE 4.42Å; F825-M829 HydrophobicContact CD1-CG 4.29Å; F825-M829 HydrophobicContact CE1-CE 3.37Å; F825-M829 HydrophobicContact CE1-CG 4.07Å; F825-M829 HydrophobicContact CZ-CE 3.5Å; F825-M829 VanDerWaalsContact O-CG 3.29Å; F825-M829 WeakPolarHBondContact O-CG 3.26Å; F825-M829 PolarHBondContact O-N 3.37Å; F825-W885 HydrophobicContact CD1-CH2 4.27Å; F825-W885 HydrophobicContact CD1-CZ3 4.28Å
826	F	81.7	Confident	75.6	Confident	58 Å²	58	68 Å²	68	25%	0.254	33%	0.328	S	S	.	.	H	α-helix	trans	-66.6	-37.7	174.5	-174.8	-100.4	0	0	0	112.4	V822 L823 M829 M830 F852 F859	V822-F826 WeakPolarHBondContact O-CB 3.38Å; V822-F826 PolarHBondContact O-N 3.23Å; L823-F826 PolarHBondContact O-N 2.87Å; L823-F826 VanDerWaalsContact O-N 3.14Å; F826-M829 CarbonylContact O-C 3.56Å; F826-M829 WeakPolarHBondContact O-CB 3.29Å; F826-M829 PolarHBondContact O-N 2.92Å; F826-M830 HydrophobicContact CD1-CG 4.26Å; F826-M830 HydrophobicContact CE1-CG 3.91Å; F826-M830 HydrophobicContact CZ-CG 4.12Å; F826-M830 HydrophobicContact CZ-SD 4.29Å; F826-M830 WeakPolarHBondContact O-CG 3.29Å; F826-M830 PolarHBondContact O-N 3.45Å; F826-F852 HydrophobicContact CE2-CD2 4.42Å; F826-F852 HydrophobicContact CE2-CE2 4.36Å; F826-F859 HydrophobicContact CB-CE2 4.14Å; F826-F859 HydrophobicContact CB-CZ 4.15Å; F826-F859 HydrophobicContact CD1-CE2 4.26Å; F826-F859 HydrophobicContact CD2-CE2 4.07Å; F826-F859 AromaticContact CG-CE2 3.89Å; F826-F859 HydrophobicContact CG-CE2 3.89Å; F826-F859 HydrophobicContact CG-CZ 4.3Å
827	C	75.4	Confident	74.5	Confident	38 Å²	38	63.5 Å²	63.5	26%	0.257	32%	0.315	S	S	.	.	H	α-helix	trans	-64.8	-44.2	173.8	-70.6	0	0	0	0	111.8	L823 G824 M829 M830 D831	L823-C827 PolarHBondContact O-N 3.12Å; L823-C827 PolarHBondContact O-SG 3.31Å; G824-C827 PolarHBondContact O-N 2.83Å; C827-M829 PolarHBondContact O-N 3.25Å; C827-M830 WeakPolarHBondContact O-CA 3.38Å; C827-M830 PolarHBondContact O-N 3.06Å; C827-D831 PolarHBondContact O-N 3.06Å
828	L	70.4	Confident	73.4	Confident	59 Å²	59	63.3 Å²	63.3	31%	0.309	32%	0.315	S	S	.	.	H	α-helix	trans	-57.9	-40.1	172.4	-75.8	171.4	0	0	0	111.5	G824 F825 M830 V1036	G824-L828 WeakPolarHBondContact O-CG 3.33Å; G824-L828 PolarHBondContact O-N 2.88Å; F825-L828 PolarHBondContact O-N 3.41Å; L828-M830 PolarHBondContact O-N 3.08Å; L828-V1036 HydrophobicContact CD1-CG1 4.24Å; L828-V1036 HydrophobicContact CD1-CG2 4.45Å; L828-V1036 HydrophobicContact CD2-CG1 3.77Å; L828-V1036 HydrophobicContact CG-CG1 3.89Å
829	M	70.3	Confident	72.5	Confident	31 Å²	31	68.2 Å²	68.2	15%	0.153	34%	0.34	C	S	.	.	H	α-helix	trans	-64.8	-23.6	172.7	-74.8	-88	-172.8	0	0	112.8	F825 F826 C827 K838 F842 D848	F825-M829 HydrophobicContact CD1-CE 4.42Å; F825-M829 HydrophobicContact CD1-CG 4.29Å; F825-M829 HydrophobicContact CE1-CE 3.37Å; F825-M829 HydrophobicContact CE1-CG 4.07Å; F825-M829 HydrophobicContact CZ-CE 3.5Å; F825-M829 VanDerWaalsContact O-CG 3.29Å; F825-M829 WeakPolarHBondContact O-CG 3.26Å; F825-M829 PolarHBondContact O-N 3.37Å; F826-M829 CarbonylContact O-C 3.56Å; F826-M829 WeakPolarHBondContact O-CB 3.29Å; F826-M829 PolarHBondContact O-N 2.92Å; C827-M829 PolarHBondContact O-N 3.25Å; M829-K838 WeakPolarHBondContact O-CE 3.21Å; M829-K838 PolarHBondContact O-NZ 3.41Å; M829-F842 HydrophobicContact SD-CE2 3.74Å; M829-D848 HydrophobicContact CE-CB 4.34Å
830	M	67.8	Low	71.5	Confident	95 Å²	95	70 Å²	70	47%	0.468	35%	0.348	S	S	.	.	H	α-helix	trans	-95.6	-19.6	-176.4	-72.2	-83.3	65.5	0	0	115.3	F826 C827 L828 A832 K838	F826-M830 HydrophobicContact CD1-CG 4.26Å; F826-M830 HydrophobicContact CE1-CG 3.91Å; F826-M830 HydrophobicContact CZ-CG 4.12Å; F826-M830 HydrophobicContact CZ-SD 4.29Å; F826-M830 WeakPolarHBondContact O-CG 3.29Å; F826-M830 PolarHBondContact O-N 3.45Å; C827-M830 WeakPolarHBondContact O-CA 3.38Å; C827-M830 PolarHBondContact O-N 3.06Å; L828-M830 PolarHBondContact O-N 3.08Å; M830-A832 PolarHBondContact O-N 2.89Å; M830-K838 PolarHBondContact O-NZ 3.09Å; M830-K838 VanDerWaalsContact O-NZ 3.1Å
831	D	62.8	Low	70.3	Confident	99 Å²	99	70.2 Å²	70.2	53%	0.529	35%	0.346	S	S	.	.			trans	-58.7	95.5	178.4	-100.5	-0.7	0	0	0	113.8	C827 K838 H1040	C827-D831 PolarHBondContact O-N 3.06Å; D831-K838 PolarHBondContact O-NZ 2.98Å; D831-H1040 IonicContact OD2-CE1 3.77Å; D831-H1040 PolarHBondContact OD2-CE1 3.45Å; D831-H1040 IonicContact OD2-ND1 3.21Å; D831-H1040 IonicContact OD2-NE2 3.55Å
832	A	56.8	Low	69.4	Low	54 Å²	54	71.5 Å²	71.5	45%	0.446	35%	0.352	S	S	.	.			trans	-167.8	152.5	158.9	0	0	0	0	0	110.8	M830 K838	M830-A832 PolarHBondContact O-N 2.89Å; A832-K838 HydrophobicContact CB-CB 4.5Å; A832-K838 HydrophobicContact CB-CD 3.74Å
833	K	53.6	Low	68.2	Low	189 Å²	189	74.5 Å²	74.5	82%	0.822	37%	0.373	S	S	*	.	S	Bend	trans	-76.1	-23.3	-177.6	-60.4	-178.1	178.4	178.7	0	114.9
834	D	61	Low	67	Low	95 Å²	95	77.3 Å²	77.3	51%	0.508	38%	0.38	S	S	.	.			trans	-127.1	122.8	-176.7	-63.9	-37.8	0	0	0	110.8	T837	D834-T837 WeakPolarHBondContact CB-OG1 3.09Å; D834-T837 PolarHBondContact O-OG1 3.33Å
835	L	64.8	Low	66.5	Low	129 Å²	129	80.1 Å²	80.1	68%	0.675	39%	0.393	S	S	*	.	H	α-helix	trans	-72.7	-41.2	-175.8	-97.2	138.9	0	0	0	113.6	K838 I839	L835-K838 PolarHBondContact O-N 3.03Å; L835-I839 VanDerWaalsContact O-CG1 3.31Å; L835-I839 WeakPolarHBondContact O-CG1 3.43Å; L835-I839 PolarHBondContact O-N 3.47Å
836	R	67.6	Low	66.1	Low	226 Å²	226	86.5 Å²	86.5	85%	0.853	42%	0.416	S	S	*	.	H	α-helix	trans	-66.3	-46.7	-173.9	-74.8	-173.2	179.2	-148.3	0.6	113.1	K838 I839 K840	R836-K838 VanDerWaalsContact C-N 3.29Å; R836-K838 PolarHBondContact O-N 3.38Å; R836-I839 PolarHBondContact O-N 3.15Å; R836-K840 PolarHBondContact O-N 3.37Å; R836-K840 VanDerWaalsContact O-N 3.17Å
837	T	62.1	Low	65.9	Low	39 Å²	39	87.4 Å²	87.4	24%	0.239	42%	0.418	C	S	.	.	H	α-helix	trans	-63.6	-40.9	177.9	47.3	0	0	0	0	110	D834 K840 V841 Y1087	D834-T837 WeakPolarHBondContact CB-OG1 3.09Å; D834-T837 PolarHBondContact O-OG1 3.33Å; T837-K840 WeakPolarHBondContact O-CB 3.37Å; T837-K840 PolarHBondContact O-N 2.84Å; T837-V841 WeakPolarHBondContact O-CG2 3.44Å; T837-V841 PolarHBondContact O-N 2.84Å; T837-Y1087 HydrophobicContact CG2-CE2 4.48Å
838	K	65.9	Low	66.1	Low	43 Å²	43	87.1 Å²	87.1	19%	0.187	41%	0.413	C	S	.	.	H	α-helix	trans	-63.3	-44.3	175.7	-166.3	175.2	-165.7	160.3	0	113.1	M829 M830 D831 A832 L835 R836 K840 V841 F842	M829-K838 WeakPolarHBondContact O-CE 3.21Å; M829-K838 PolarHBondContact O-NZ 3.41Å; M830-K838 PolarHBondContact O-NZ 3.09Å; M830-K838 VanDerWaalsContact O-NZ 3.1Å; D831-K838 PolarHBondContact O-NZ 2.98Å; A832-K838 HydrophobicContact CB-CB 4.5Å; A832-K838 HydrophobicContact CB-CD 3.74Å; L835-K838 PolarHBondContact O-N 3.03Å; R836-K838 VanDerWaalsContact C-N 3.29Å; R836-K838 PolarHBondContact O-N 3.38Å; K838-K840 PolarHBondContact O-N 3.26Å; K838-V841 PolarHBondContact O-N 3.32Å; K838-V841 VanDerWaalsContact O-N 3.12Å; K838-F842 WeakPolarHBondContact O-CB 3.19Å; K838-F842 PolarHBondContact O-N 3.44Å
839	I	69	Low	66.7	Low	103 Å²	103	89.2 Å²	89.2	53%	0.528	42%	0.417	S	S	.	.	H	α-helix	trans	-58.8	-37.6	176.3	-69.7	165.3	0	0	0	110.7	L835 R836 S843	L835-I839 VanDerWaalsContact O-CG1 3.31Å; L835-I839 WeakPolarHBondContact O-CG1 3.43Å; L835-I839 PolarHBondContact O-N 3.47Å; R836-I839 PolarHBondContact O-N 3.15Å; I839-S843 VanDerWaalsContact O-CB 3.31Å; I839-S843 WeakPolarHBondContact O-CB 3.4Å; I839-S843 PolarHBondContact O-N 3.03Å; I839-S843 PolarHBondContact O-OG 3.42Å
840	K	67	Low	67.4	Low	101 Å²	101	89.2 Å²	89.2	44%	0.439	42%	0.423	S	S	.	.	H	α-helix	trans	-68.2	-38.7	175.7	-166	-177.1	-179	-170.4	0	112.9	R836 T837 K838 S843	R836-K840 PolarHBondContact O-N 3.37Å; R836-K840 VanDerWaalsContact O-N 3.17Å; T837-K840 WeakPolarHBondContact O-CB 3.37Å; T837-K840 PolarHBondContact O-N 2.84Å; K838-K840 PolarHBondContact O-N 3.26Å; K840-S843 PolarHBondContact O-OG 3.02Å
841	V	61.5	Low	68.1	Low	29 Å²	29	85.1 Å²	85.1	18%	0.176	40%	0.403	C	S	.	.	H	α-helix	trans	-68.9	-46.4	174.5	179.9	0	0	0	0	110.6	T837 K838 S843 R844 D1086	T837-V841 WeakPolarHBondContact O-CG2 3.44Å; T837-V841 PolarHBondContact O-N 2.84Å; K838-V841 PolarHBondContact O-N 3.32Å; K838-V841 VanDerWaalsContact O-N 3.12Å; V841-S843 VanDerWaalsContact C-N 3.3Å; V841-S843 PolarHBondContact O-N 3.24Å; V841-R844 VanDerWaalsContact O-CB 3.25Å; V841-R844 WeakPolarHBondContact O-CB 3.3Å; V841-R844 PolarHBondContact O-N 3.43Å; V841-R844 VanDerWaalsContact O-N 3.08Å; V841-D1086 VanDerWaalsContact CG1-OD2 3.31Å; V841-D1086 WeakPolarHBondContact CG1-OD2 3.37Å; V841-D1086 HydrophobicContact CG2-CB 4.03Å; V841-D1086 WeakPolarHBondContact CG2-OD2 3.18Å
842	F	67.8	Low	69.3	Low	31 Å²	31	83.5 Å²	83.5	14%	0.136	39%	0.391	C	S	.	.	H	α-helix	trans	-61.2	-39.4	-179.1	-172.2	-87.1	0	0	0	111.5	M829 K838 R844 H845 D848 W849 F852	M829-F842 HydrophobicContact SD-CE2 3.74Å; K838-F842 WeakPolarHBondContact O-CB 3.19Å; K838-F842 PolarHBondContact O-N 3.44Å; F842-R844 PolarHBondContact O-N 3.28Å; F842-H845 PolarHBondContact O-N 2.86Å; F842-D848 HydrophobicContact CD2-CB 3.82Å; F842-D848 HydrophobicContact CE1-CB 4.32Å; F842-D848 HydrophobicContact CE2-CB 3.43Å; F842-D848 VanDerWaalsContact CE2-CB 3.43Å; F842-D848 HydrophobicContact CG-CB 4.43Å; F842-D848 HydrophobicContact CZ-CB 3.67Å; F842-D848 WeakPolarHBondContact CZ-O 3.47Å; F842-W849 HydrophobicContact CD1-CD2 4.31Å; F842-W849 HydrophobicContact CD1-CZ2 4.39Å; F842-W849 AromaticContact CE1-CD2 3.78Å; F842-W849 HydrophobicContact CE1-CD2 3.78Å; F842-W849 AromaticContact CE1-CE3 3.96Å; F842-W849 HydrophobicContact CE1-CE3 3.96Å; F842-W849 HydrophobicContact CE1-CG 4.08Å; F842-W849 HydrophobicContact CE1-CZ3 4.4Å; F842-F852 HydrophobicContact CE1-CB 4.24Å; F842-F852 HydrophobicContact CZ-CB 3.57Å; F842-F852 HydrophobicContact CZ-CG 4.21Å
843	S	61.7	Low	70.8	Confident	62 Å²	62	87.3 Å²	87.3	43%	0.434	39%	0.394	S	S	.	.	H	α-helix	trans	-64.4	-21.7	177.7	71.5	0	0	0	0	113.5	I839 K840 V841	I839-S843 VanDerWaalsContact O-CB 3.31Å; I839-S843 WeakPolarHBondContact O-CB 3.4Å; I839-S843 PolarHBondContact O-N 3.03Å; I839-S843 PolarHBondContact O-OG 3.42Å; K840-S843 PolarHBondContact O-OG 3.02Å; V841-S843 VanDerWaalsContact C-N 3.3Å; V841-S843 PolarHBondContact O-N 3.24Å
844	R	61	Low	72.6	Confident	114 Å²	114	78.4 Å²	78.4	43%	0.43	36%	0.356	S	S	.	.	H	α-helix	trans	-80.6	-32.7	-179	-160.9	175.3	176.9	171.9	-2	112.6	V841 F842 R846 I1085 D1086 N1089	V841-R844 VanDerWaalsContact O-CB 3.25Å; V841-R844 WeakPolarHBondContact O-CB 3.3Å; V841-R844 PolarHBondContact O-N 3.43Å; V841-R844 VanDerWaalsContact O-N 3.08Å; F842-R844 PolarHBondContact O-N 3.28Å; R844-R846 PolarHBondContact O-N 3.02Å; R844-I1085 PolarHBondContact NH1-O 2.95Å; R844-D1086 WeakPolarHBondContact CD-OD1 3.33Å; R844-D1086 IonicContact CZ-OD1 3.45Å; R844-D1086 IonicContact NE-OD1 3.57Å; R844-D1086 IonicContact NH1-OD1 2.62Å; R844-D1086 PolarHBondContact NH1-OD1 3.4Å; R844-N1089 PolarHBondContact NH2-ND2 3.38Å
845	H	69.1	Low	73.9	Confident	59 Å²	59	73.9 Å²	73.9	27%	0.273	33%	0.332	S	S	.	.			trans	-89.8	95.5	177.3	-74.4	-82	0	0	0	110.7	F842 W847 D848	F842-H845 PolarHBondContact O-N 2.86Å; H845-W847 PolarHBondContact O-N 3.49Å; H845-D848 HydrophobicContact CB-CB 4.32Å; H845-D848 WeakPolarHBondContact CB-OD2 3.36Å; H845-D848 IonicContact CG-OD2 3.57Å; H845-D848 PolarHBondContact O-N 3.31Å
846	R	71.7	Confident	75.1	Confident	163 Å²	163	71.2 Å²	71.2	62%	0.615	32%	0.318	S	S	*	.	H	α-helix	trans	-52.8	-29.2	-178.5	-70.1	-163	-113.6	145.9	-7.3	114.6	R844 D848 G907	R844-R846 PolarHBondContact O-N 3.02Å; R846-D848 VanDerWaalsContact C-N 3.35Å; R846-G907 PolarHBondContact NH1-O 3.31Å; R846-G907 VanDerWaalsContact NH1-O 3.14Å
847	W	77.7	Confident	76.3	Confident	77 Å²	77	61.9 Å²	61.9	29%	0.292	29%	0.287	S	S	.	.	H	α-helix	trans	-72.5	-26.9	179.2	-67.7	106.6	0	0	0	113.8	H845 A850 S851 M887 L890 H891 I903	H845-W847 PolarHBondContact O-N 3.49Å; W847-A850 PolarHBondContact O-N 3.24Å; W847-S851 PolarHBondContact O-N 3.04Å; W847-S851 PolarHBondContact O-OG 2.7Å; W847-M887 WeakPolarHBondContact CZ3-O 3.34Å; W847-L890 HydrophobicContact CH2-CB 3.95Å; W847-L890 HydrophobicContact CH2-CD1 4.41Å; W847-L890 HydrophobicContact CZ3-CB 4.34Å; W847-H891 AromaticContact CD1-CD2 3.49Å; W847-H891 VanDerWaalsContact CD1-CD2 3.49Å; W847-H891 HydrophobicContact CD2-CB 4.13Å; W847-H891 HydrophobicContact CE3-CB 4.18Å; W847-H891 HydrophobicContact CG-CB 4.44Å; W847-H891 AromaticContact CG-CD2 3.6Å; W847-H891 AromaticContact NE1-CD2 3.86Å; W847-I903 HydrophobicContact CZ2-CG2 4.46Å
848	D	79	Confident	77.8	Confident	32 Å²	32	60.3 Å²	60.3	17%	0.171	28%	0.277	C	S	.	.	H	α-helix	trans	-74.1	-34.6	-177	-65.4	-22.1	0	0	0	110.5	M829 F842 H845 R846 A850 S851 F852 R888	M829-D848 HydrophobicContact CE-CB 4.34Å; F842-D848 HydrophobicContact CD2-CB 3.82Å; F842-D848 HydrophobicContact CE1-CB 4.32Å; F842-D848 HydrophobicContact CE2-CB 3.43Å; F842-D848 VanDerWaalsContact CE2-CB 3.43Å; F842-D848 HydrophobicContact CG-CB 4.43Å; F842-D848 HydrophobicContact CZ-CB 3.67Å; F842-D848 WeakPolarHBondContact CZ-O 3.47Å; H845-D848 HydrophobicContact CB-CB 4.32Å; H845-D848 WeakPolarHBondContact CB-OD2 3.36Å; H845-D848 IonicContact CG-OD2 3.57Å; H845-D848 PolarHBondContact O-N 3.31Å; R846-D848 VanDerWaalsContact C-N 3.35Å; D848-A850 PolarHBondContact O-N 3.38Å; D848-S851 CarbonylContact O-C 3.59Å; D848-S851 WeakPolarHBondContact O-CB 3.29Å; D848-S851 PolarHBondContact O-N 3Å; D848-S851 VanDerWaalsContact O-N 3.12Å; D848-F852 WeakPolarHBondContact O-CB 3.48Å; D848-F852 PolarHBondContact O-N 3.41Å; D848-R888 IonicContact OD1-NH1 2.84Å; D848-R888 PolarHBondContact OD1-NH1 3.46Å
849	W	82.8	Confident	79	Confident	102 Å²	102	60.7 Å²	60.7	39%	0.386	28%	0.279	S	S	.	.	H	α-helix	trans	-55.4	-49.3	169.5	-84	114.5	0	0	0	113.3	F842 S851 F852 W853	F842-W849 HydrophobicContact CD1-CD2 4.31Å; F842-W849 HydrophobicContact CD1-CZ2 4.39Å; F842-W849 AromaticContact CE1-CD2 3.78Å; F842-W849 HydrophobicContact CE1-CD2 3.78Å; F842-W849 AromaticContact CE1-CE3 3.96Å; F842-W849 HydrophobicContact CE1-CE3 3.96Å; F842-W849 HydrophobicContact CE1-CG 4.08Å; F842-W849 HydrophobicContact CE1-CZ3 4.4Å; W849-S851 PolarHBondContact O-N 2.84Å; W849-F852 HydrophobicContact CE3-CD1 4.32Å; W849-F852 HydrophobicContact CZ3-CD1 4.26Å; W849-F852 HydrophobicContact CZ3-CE1 4.47Å; W849-F852 PolarHBondContact O-N 2.93Å; W849-W853 AromaticContact CE3-NE1 3.52Å; W849-W853 AromaticContact CZ3-NE1 3.97Å; W849-W853 PolarHBondContact O-N 3.22Å
850	A	84.5	Confident	80.1	Confident	32 Å²	32	59.4 Å²	59.4	26%	0.264	28%	0.276	S	S	.	.	H	α-helix	trans	-61.3	-35.6	178.1	0	0	0	0	0	111.6	W847 D848 G854 F884	W847-A850 PolarHBondContact O-N 3.24Å; D848-A850 PolarHBondContact O-N 3.38Å; A850-G854 PolarHBondContact O-N 3.27Å; A850-F884 WeakPolarHBondContact O-CD1 3.16Å
851	S	83.7	Confident	81.3	Confident	8 Å²	8	54.6 Å²	54.6	6%	0.056	26%	0.255	C	S	.	.	H	α-helix	trans	-73.5	-38	179.7	-47.9	0	0	0	0	111.8	W847 D848 W849 G854 S855 R888	W847-S851 PolarHBondContact O-N 3.04Å; W847-S851 PolarHBondContact O-OG 2.7Å; D848-S851 CarbonylContact O-C 3.59Å; D848-S851 WeakPolarHBondContact O-CB 3.29Å; D848-S851 PolarHBondContact O-N 3Å; D848-S851 VanDerWaalsContact O-N 3.12Å; W849-S851 PolarHBondContact O-N 2.84Å; S851-G854 PolarHBondContact O-N 3.33Å; S851-S855 PolarHBondContact O-N 3.39Å; S851-S855 PolarHBondContact O-OG 2.74Å; S851-R888 PolarHBondContact OG-NH1 3.3Å
852	F	86.9	Confident	82.6	Confident	66 Å²	66	54.2 Å²	54.2	29%	0.289	25%	0.251	S	S	.	.	H	α-helix	trans	-65.9	-46.4	174.9	171.1	-93	0	0	0	112.4	F826 F842 D848 W849 G854 S855 L856	F826-F852 HydrophobicContact CE2-CD2 4.42Å; F826-F852 HydrophobicContact CE2-CE2 4.36Å; F842-F852 HydrophobicContact CE1-CB 4.24Å; F842-F852 HydrophobicContact CZ-CB 3.57Å; F842-F852 HydrophobicContact CZ-CG 4.21Å; D848-F852 WeakPolarHBondContact O-CB 3.48Å; D848-F852 PolarHBondContact O-N 3.41Å; W849-F852 HydrophobicContact CE3-CD1 4.32Å; W849-F852 HydrophobicContact CZ3-CD1 4.26Å; W849-F852 HydrophobicContact CZ3-CE1 4.47Å; W849-F852 PolarHBondContact O-N 2.93Å; F852-G854 VanDerWaalsContact C-N 3.27Å; F852-G854 PolarHBondContact O-N 3Å; F852-S855 PolarHBondContact O-N 3.31Å; F852-L856 WeakPolarHBondContact O-CB 3.43Å; F852-L856 PolarHBondContact O-N 2.87Å
853	W	88.7	Confident	83.7	Confident	134 Å²	134	54.8 Å²	54.8	51%	0.508	27%	0.265	S	S	.	.	H	α-helix	trans	-64.4	-34.5	173.8	-71	117.4	0	0	0	111.9	W849 L856 S857	W849-W853 AromaticContact CE3-NE1 3.52Å; W849-W853 AromaticContact CZ3-NE1 3.97Å; W849-W853 PolarHBondContact O-N 3.22Å; W853-L856 HydrophobicContact CE3-CD2 3.86Å; W853-L856 HydrophobicContact CZ3-CD2 3.66Å; W853-S857 WeakPolarHBondContact O-CB 3.47Å; W853-S857 PolarHBondContact O-N 3.18Å; W853-S857 PolarHBondContact O-OG 3.21Å
854	G	90.4	Very high	85	Confident	1 Å²	1	54 Å²	54	1%	0.01	26%	0.256	C	S	.	.	H	α-helix	trans	-61.6	-47	170.8	0	0	0	0	0	113	A850 S851 F852 S857 Y858 N881	A850-G854 PolarHBondContact O-N 3.27Å; S851-G854 PolarHBondContact O-N 3.33Å; F852-G854 VanDerWaalsContact C-N 3.27Å; F852-G854 PolarHBondContact O-N 3Å; G854-S857 PolarHBondContact O-OG 3.2Å; G854-Y858 WeakPolarHBondContact O-CB 3.34Å; G854-Y858 PolarHBondContact O-N 3.48Å; G854-Y858 VanDerWaalsContact O-N 3.07Å; G854-N881 PolarHBondContact O-ND2 3.21Å
855	S	89.3	Confident	86.2	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-65.4	-43.8	175.9	-63.8	0	0	0	0	112.3	S851 F852 Y858 F859	S851-S855 PolarHBondContact O-N 3.39Å; S851-S855 PolarHBondContact O-OG 2.74Å; F852-S855 PolarHBondContact O-N 3.31Å; S855-Y858 WeakPolarHBondContact O-CB 3.27Å; S855-Y858 PolarHBondContact O-N 3.38Å; S855-F859 WeakPolarHBondContact O-CD2 3.5Å; S855-F859 PolarHBondContact O-N 3.47Å
856	L	90.7	Very high	86.9	Confident	73 Å²	73	52.6 Å²	52.6	38%	0.382	26%	0.256	S	S	.	.	H	α-helix	trans	-63.6	-48.1	-179.5	-176.3	64.5	0	0	0	111.9	F852 W853 Y858 F859 V860	F852-L856 WeakPolarHBondContact O-CB 3.43Å; F852-L856 PolarHBondContact O-N 2.87Å; W853-L856 HydrophobicContact CE3-CD2 3.86Å; W853-L856 HydrophobicContact CZ3-CD2 3.66Å; L856-Y858 VanDerWaalsContact C-N 3.25Å; L856-Y858 PolarHBondContact O-N 3.11Å; L856-F859 PolarHBondContact O-N 3.49Å; L856-V860 WeakPolarHBondContact O-CG2 3.21Å; L856-V860 PolarHBondContact O-N 3.09Å
857	S	91.8	Very high	87.5	Confident	31 Å²	31	45.8 Å²	45.8	22%	0.217	24%	0.237	C	C	.	.	H	α-helix	trans	-65.8	-29.1	177.3	56.2	0	0	0	0	112.6	W853 G854 G861 I877 N881	W853-S857 WeakPolarHBondContact O-CB 3.47Å; W853-S857 PolarHBondContact O-N 3.18Å; W853-S857 PolarHBondContact O-OG 3.21Å; G854-S857 PolarHBondContact O-OG 3.2Å; S857-G861 PolarHBondContact O-N 3.34Å; S857-I877 WeakPolarHBondContact O-CG2 3.48Å; S857-N881 PolarHBondContact OG-ND2 2.96Å
858	Y	93	Very high	87.6	Confident	5 Å²	5	48 Å²	48	2%	0.02	26%	0.261	C	S	.	.	H	α-helix	trans	-65.5	-47.5	172.2	-179.9	-92.1	0	0	0	111.4	F799 V818 F819 V822 G854 S855 L856 V860 G861 F862 L878 N881	F799-Y858 HydrophobicContact CE2-CD2 4.34Å; F799-Y858 AromaticContact CE2-CE2 3.93Å; F799-Y858 HydrophobicContact CE2-CE2 3.93Å; F799-Y858 HydrophobicContact CZ-CD2 4.08Å; F799-Y858 HydrophobicContact CZ-CE2 4.12Å; V818-Y858 HydrophobicContact CG1-CE2 3.7Å; V818-Y858 WeakPolarHBondContact CG1-OH 3.38Å; F819-Y858 HydrophobicContact CB-CE1 4.48Å; F819-Y858 HydrophobicContact CD2-CE1 4.11Å; F819-Y858 PolarHBondContact N-OH 2.98Å; V822-Y858 HydrophobicContact CB-CD1 3.88Å; V822-Y858 HydrophobicContact CB-CE1 3.99Å; V822-Y858 HydrophobicContact CB-CG 4.45Å; V822-Y858 HydrophobicContact CG1-CD1 3.62Å; V822-Y858 HydrophobicContact CG1-CE1 4.25Å; V822-Y858 HydrophobicContact CG1-CG 4.05Å; V822-Y858 HydrophobicContact CG2-CD1 3.95Å; V822-Y858 HydrophobicContact CG2-CD2 4.29Å; V822-Y858 HydrophobicContact CG2-CE1 3.99Å; V822-Y858 HydrophobicContact CG2-CE2 4.32Å; V822-Y858 HydrophobicContact CG2-CG 4.11Å; G854-Y858 WeakPolarHBondContact O-CB 3.34Å; G854-Y858 PolarHBondContact O-N 3.48Å; G854-Y858 VanDerWaalsContact O-N 3.07Å; S855-Y858 WeakPolarHBondContact O-CB 3.27Å; S855-Y858 PolarHBondContact O-N 3.38Å; L856-Y858 VanDerWaalsContact C-N 3.25Å; L856-Y858 PolarHBondContact O-N 3.11Å; Y858-V860 VanDerWaalsContact C-N 3.33Å; Y858-V860 PolarHBondContact O-N 3.08Å; Y858-G861 PolarHBondContact O-N 2.74Å; Y858-F862 HydrophobicContact CE1-CB 4.34Å; Y858-F862 VanDerWaalsContact O-CB 3.29Å; Y858-F862 WeakPolarHBondContact O-CB 3.09Å; Y858-F862 PolarHBondContact O-N 3.1Å; Y858-L878 HydrophobicContact CD2-CD2 3.78Å; Y858-L878 HydrophobicContact CE2-CD2 3.93Å; Y858-N881 PolarHBondContact N-ND2 3.17Å; Y858-N881 VanDerWaalsContact N-ND2 3.2Å
859	F	92.5	Very high	87.8	Confident	52 Å²	52	55.8 Å²	55.8	23%	0.228	30%	0.297	C	S	.	.	H	α-helix	trans	-62.7	-39.9	178.2	-67.4	-54.4	0	0	0	112.3	F819 V822 L823 F826 S855 L856 G863	F819-F859 HydrophobicContact CE2-CD1 4.16Å; F819-F859 HydrophobicContact CE2-CE1 4.12Å; V822-F859 HydrophobicContact CG1-CE1 4.43Å; V822-F859 HydrophobicContact CG1-CZ 4.13Å; L823-F859 HydrophobicContact CD1-CE1 4.41Å; L823-F859 HydrophobicContact CD1-CZ 4.21Å; F826-F859 HydrophobicContact CB-CE2 4.14Å; F826-F859 HydrophobicContact CB-CZ 4.15Å; F826-F859 HydrophobicContact CD1-CE2 4.26Å; F826-F859 HydrophobicContact CD2-CE2 4.07Å; F826-F859 AromaticContact CG-CE2 3.89Å; F826-F859 HydrophobicContact CG-CE2 3.89Å; F826-F859 HydrophobicContact CG-CZ 4.3Å; S855-F859 WeakPolarHBondContact O-CD2 3.5Å; S855-F859 PolarHBondContact O-N 3.47Å; L856-F859 PolarHBondContact O-N 3.49Å; F859-G863 PolarHBondContact O-N 2.67Å
860	V	92.4	Very high	88.1	Confident	76 Å²	76	53.3 Å²	53.3	46%	0.461	29%	0.293	S	S	.	.	H	α-helix	trans	-64.3	-47.6	174.6	173.7	0	0	0	0	110.8	L856 Y858 F862 G863 L864	L856-V860 WeakPolarHBondContact O-CG2 3.21Å; L856-V860 PolarHBondContact O-N 3.09Å; Y858-V860 VanDerWaalsContact C-N 3.33Å; Y858-V860 PolarHBondContact O-N 3.08Å; V860-F862 PolarHBondContact O-N 3.28Å; V860-G863 PolarHBondContact O-N 2.86Å; V860-L864 HydrophobicContact CG1-CD1 3.76Å; V860-L864 WeakPolarHBondContact O-CB 3.25Å; V860-L864 WeakPolarHBondContact O-CD1 3.33Å; V860-L864 VanDerWaalsContact O-CG 3.3Å; V860-L864 WeakPolarHBondContact O-CG 3.35Å; V860-L864 PolarHBondContact O-N 2.73Å
861	G	90.6	Very high	88.1	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-62.7	-42	178.4	0	0	0	0	0	113.1	S857 Y858 R865	S857-G861 PolarHBondContact O-N 3.34Å; Y858-G861 PolarHBondContact O-N 2.74Å; G861-R865 WeakPolarHBondContact O-CB 3.3Å; G861-R865 PolarHBondContact O-N 2.9Å
862	F	90	Very high	88.2	Confident	21 Å²	21	58.4 Å²	58.4	9%	0.092	31%	0.311	C	S	.	.	H	α-helix	trans	-69	-38.5	176.3	-169.4	-97.4	0	0	0	112	E815 F819 Y858 V860 R865 L866	E815-F862 HydrophobicContact CB-CE2 4.37Å; F819-F862 AromaticContact CD2-CD1 3.7Å; F819-F862 HydrophobicContact CD2-CD1 3.7Å; F819-F862 AromaticContact CD2-CE1 3.74Å; F819-F862 HydrophobicContact CD2-CE1 3.74Å; F819-F862 HydrophobicContact CD2-CG 4.18Å; F819-F862 HydrophobicContact CD2-CZ 4.26Å; F819-F862 AromaticContact CE2-CD1 3.9Å; F819-F862 HydrophobicContact CE2-CD1 3.9Å; F819-F862 HydrophobicContact CE2-CE1 4.06Å; F819-F862 HydrophobicContact CG-CE1 4.43Å; Y858-F862 HydrophobicContact CE1-CB 4.34Å; Y858-F862 VanDerWaalsContact O-CB 3.29Å; Y858-F862 WeakPolarHBondContact O-CB 3.09Å; Y858-F862 PolarHBondContact O-N 3.1Å; V860-F862 PolarHBondContact O-N 3.28Å; F862-R865 WeakPolarHBondContact O-CB 2.97Å; F862-R865 PolarHBondContact O-N 3.22Å; F862-L866 HydrophobicContact CE1-CD1 4.36Å; F862-L866 PolarHBondContact O-N 3.3Å
863	G	89.6	Confident	88.3	Confident	42 Å²	42	60.1 Å²	60.1	43%	0.433	32%	0.322	S	S	.	.	H	α-helix	trans	-62.8	-44.7	174.5	0	0	0	0	0	112.6	F859 V860 R865 L866	F859-G863 PolarHBondContact O-N 2.67Å; V860-G863 PolarHBondContact O-N 2.86Å; G863-R865 VanDerWaalsContact C-N 3.28Å; G863-R865 PolarHBondContact O-N 3.43Å; G863-L866 PolarHBondContact O-N 3.02Å
864	L	89.6	Confident	88.2	Confident	46 Å²	46	53.7 Å²	53.7	24%	0.241	30%	0.298	C	S	.	.	H	α-helix	trans	-67.8	-28.7	176.7	-69.7	163.7	0	0	0	112.7	V860 L866 G867 T870 L873 I877	V860-L864 HydrophobicContact CG1-CD1 3.76Å; V860-L864 WeakPolarHBondContact O-CB 3.25Å; V860-L864 WeakPolarHBondContact O-CD1 3.33Å; V860-L864 VanDerWaalsContact O-CG 3.3Å; V860-L864 WeakPolarHBondContact O-CG 3.35Å; V860-L864 PolarHBondContact O-N 2.73Å; L864-L866 VanDerWaalsContact C-N 3.29Å; L864-L866 PolarHBondContact O-N 3.38Å; L864-G867 PolarHBondContact O-N 2.86Å; L864-T870 HydrophobicContact CD2-CG2 4.13Å; L864-T870 CarbonylContact O-C 3.45Å; L864-T870 WeakPolarHBondContact O-CB 3.31Å; L864-T870 PolarHBondContact O-OG1 3.45Å; L864-L873 HydrophobicContact CD1-CD2 3.82Å; L864-L873 HydrophobicContact CD2-CD2 4.32Å; L864-I877 HydrophobicContact CD1-CD1 3.44Å; L864-I877 VanDerWaalsContact CD1-CD1 3.44Å
865	R	86.2	Confident	88.1	Confident	25 Å²	25	56 Å²	56	9%	0.094	31%	0.307	C	S	.	.	H	α-helix	trans	-65	-31.2	175.6	179.3	-175.2	178.2	144.7	10.7	112.9	E815 G861 F862 G863 G867	E815-R865 IonicContact OE1-CZ 3.92Å; E815-R865 IonicContact OE1-NH1 3.31Å; E815-R865 PolarHBondContact OE1-NH1 3.39Å; E815-R865 IonicContact OE1-NH2 3.81Å; E815-R865 PolarHBondContact OE1-NH2 3.49Å; E815-R865 IonicContact OE2-CZ 3.56Å; E815-R865 IonicContact OE2-NE 2.91Å; E815-R865 PolarHBondContact OE2-NE 3.37Å; E815-R865 VanDerWaalsContact OE2-NE 3.14Å; E815-R865 IonicContact OE2-NH1 2.76Å; E815-R865 PolarHBondContact OE2-NH1 3.46Å; E815-R865 VanDerWaalsContact OE2-NH1 3.17Å; E815-R865 IonicContact OE2-NH2 2.72Å; E815-R865 PolarHBondContact OE2-NH2 3.14Å; E815-R865 VanDerWaalsContact OE2-NH2 3.1Å; G861-R865 WeakPolarHBondContact O-CB 3.3Å; G861-R865 PolarHBondContact O-N 2.9Å; F862-R865 WeakPolarHBondContact O-CB 2.97Å; F862-R865 PolarHBondContact O-N 3.22Å; G863-R865 VanDerWaalsContact C-N 3.28Å; G863-R865 PolarHBondContact O-N 3.43Å; R865-G867 PolarHBondContact O-N 3.06Å
866	L	84.4	Confident	88.2	Confident	118 Å²	118	60.1 Å²	60.1	62%	0.618	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-19.8	179.3	-65.3	169.7	0	0	0	112.7	F862 G863 L864	F862-L866 HydrophobicContact CE1-CD1 4.36Å; F862-L866 PolarHBondContact O-N 3.3Å; G863-L866 PolarHBondContact O-N 3.02Å; L864-L866 VanDerWaalsContact C-N 3.29Å; L864-L866 PolarHBondContact O-N 3.38Å
867	G	84	Confident	88.2	Confident	20 Å²	20	58.9 Å²	58.9	21%	0.206	33%	0.325	C	S	.	.	S	Bend	trans	-86.8	127.9	177.6	0	0	0	0	0	112	L864 R865 Q869 T870 L871	L864-G867 PolarHBondContact O-N 2.86Å; R865-G867 PolarHBondContact O-N 3.06Å; G867-Q869 VanDerWaalsContact C-N 3.28Å; G867-Q869 PolarHBondContact O-N 3.47Å; G867-T870 PolarHBondContact O-N 3.01Å; G867-T870 PolarHBondContact O-OG1 3.23Å; G867-L871 PolarHBondContact O-N 3.18Å; G867-L871 VanDerWaalsContact O-N 3.16Å
868	P	79.4	Confident	88.2	Confident	124 Å²	124	57.9 Å²	57.9	81%	0.805	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-31.7	-179.3	24.5	-33.4	0	0	0	112.9
869	Q	83.6	Confident	88.1	Confident	196 Å²	196	63.3 Å²	63.3	92%	0.916	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-26.6	178.2	-66	-178	-6.5	0	0	113.2	G867	G867-Q869 VanDerWaalsContact C-N 3.28Å; G867-Q869 PolarHBondContact O-N 3.47Å
870	T	89	Confident	88	Confident	50 Å²	50	64.7 Å²	64.7	31%	0.307	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	6.3	-173	48.5	0	0	0	0	113.5	L864 G867 E872 L873 G874	L864-T870 HydrophobicContact CD2-CG2 4.13Å; L864-T870 CarbonylContact O-C 3.45Å; L864-T870 WeakPolarHBondContact O-CB 3.31Å; L864-T870 PolarHBondContact O-OG1 3.45Å; G867-T870 PolarHBondContact O-N 3.01Å; G867-T870 PolarHBondContact O-OG1 3.23Å; T870-E872 PolarHBondContact O-N 3.38Å; T870-L873 PolarHBondContact O-N 3.4Å; T870-G874 PolarHBondContact O-N 3.08Å
871	L	83.6	Confident	88	Confident	29 Å²	29	61.1 Å²	61.1	15%	0.152	33%	0.331	C	S	.	.	H	α-helix	trans	-60.4	-42.8	-172	174.1	155.5	0	0	0	112.9	G867 G874 R875	G867-L871 PolarHBondContact O-N 3.18Å; G867-L871 VanDerWaalsContact O-N 3.16Å; L871-G874 PolarHBondContact O-N 3.36Å; L871-R875 VanDerWaalsContact CD2-NE 3.31Å; L871-R875 VanDerWaalsContact O-CG 3.3Å; L871-R875 WeakPolarHBondContact O-CG 3.45Å; L871-R875 PolarHBondContact O-N 3.21Å
872	E	85.7	Confident	88.1	Confident	117 Å²	117	62.1 Å²	62.1	55%	0.547	34%	0.336	S	S	.	.	H	α-helix	trans	-68.4	-38.6	179	-68.1	-55.6	141.6	0	0	112.1	T870 R875 V876	T870-E872 PolarHBondContact O-N 3.38Å; E872-R875 PolarHBondContact O-N 2.91Å; E872-R875 IonicContact OE1-CZ 3.8Å; E872-R875 IonicContact OE1-NH1 3.34Å; E872-R875 PolarHBondContact OE1-NH1 2.88Å; E872-V876 WeakPolarHBondContact O-CG2 3.07Å; E872-V876 PolarHBondContact O-N 3.4Å; E872-V876 VanDerWaalsContact O-N 3.07Å
873	L	89.5	Confident	88.1	Confident	102 Å²	102	67.3 Å²	67.3	53%	0.534	36%	0.363	S	S	.	.	H	α-helix	trans	-63.8	-46	174.1	-171.6	99.5	0	0	0	111	L864 T870 R875 V876 I877	L864-L873 HydrophobicContact CD1-CD2 3.82Å; L864-L873 HydrophobicContact CD2-CD2 4.32Å; T870-L873 PolarHBondContact O-N 3.4Å; L873-R875 VanDerWaalsContact C-N 3.29Å; L873-R875 PolarHBondContact O-N 3.01Å; L873-V876 PolarHBondContact O-N 3.16Å; L873-I877 HydrophobicContact CD2-CD1 4.31Å; L873-I877 HydrophobicContact CG-CD1 4.35Å; L873-I877 WeakPolarHBondContact O-CG1 3.21Å; L873-I877 PolarHBondContact O-N 3.4Å; L873-I877 VanDerWaalsContact O-N 3.08Å
874	G	87.7	Confident	88.2	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-58.9	-38.9	175.8	0	0	0	0	0	112.6	T870 L871 I877 L878	T870-G874 PolarHBondContact O-N 3.08Å; L871-G874 PolarHBondContact O-N 3.36Å; G874-I877 PolarHBondContact O-N 3.47Å; G874-L878 WeakPolarHBondContact O-CG 3.42Å; G874-L878 PolarHBondContact O-N 3.1Å
875	R	87.2	Confident	88.2	Confident	50 Å²	50	66.8 Å²	66.8	19%	0.189	35%	0.346	C	S	.	.	H	α-helix	trans	-64.9	-42.7	175.3	-76.1	175.4	178.8	-179.3	-3.3	113	A807 L871 E872 L873 I877 L878 K879	A807-R875 PolarHBondContact O-NH2 3.13Å; L871-R875 VanDerWaalsContact CD2-NE 3.31Å; L871-R875 VanDerWaalsContact O-CG 3.3Å; L871-R875 WeakPolarHBondContact O-CG 3.45Å; L871-R875 PolarHBondContact O-N 3.21Å; E872-R875 PolarHBondContact O-N 2.91Å; E872-R875 IonicContact OE1-CZ 3.8Å; E872-R875 IonicContact OE1-NH1 3.34Å; E872-R875 PolarHBondContact OE1-NH1 2.88Å; L873-R875 VanDerWaalsContact C-N 3.29Å; L873-R875 PolarHBondContact O-N 3.01Å; R875-I877 VanDerWaalsContact C-N 3.29Å; R875-I877 PolarHBondContact O-N 2.77Å; R875-L878 PolarHBondContact O-N 3.43Å; R875-K879 WeakPolarHBondContact O-CB 3.33Å; R875-K879 VanDerWaalsContact O-CG 3.3Å; R875-K879 WeakPolarHBondContact O-CG 3.19Å; R875-K879 PolarHBondContact O-N 3.37Å
876	V	90.7	Very high	88.3	Confident	86 Å²	86	70.8 Å²	70.8	52%	0.521	36%	0.362	S	S	.	.	H	α-helix	trans	-60.7	-43.7	175.9	173.7	0	0	0	0	110	E872 L873 L878 K879 V880	E872-V876 WeakPolarHBondContact O-CG2 3.07Å; E872-V876 PolarHBondContact O-N 3.4Å; E872-V876 VanDerWaalsContact O-N 3.07Å; L873-V876 PolarHBondContact O-N 3.16Å; V876-L878 PolarHBondContact O-N 3.29Å; V876-K879 WeakPolarHBondContact O-CB 3.46Å; V876-K879 PolarHBondContact O-N 3.46Å; V876-V880 WeakPolarHBondContact O-CG2 3.4Å; V876-V880 PolarHBondContact O-N 3.43Å
877	I	92.4	Very high	88.4	Confident	47 Å²	47	69.7 Å²	69.7	24%	0.241	36%	0.355	C	S	.	.	H	α-helix	trans	-62.6	-44.5	177.6	-64.7	165.8	0	0	0	111.1	S857 L864 L873 G874 R875 K879 V880 N881	S857-I877 WeakPolarHBondContact O-CG2 3.48Å; L864-I877 HydrophobicContact CD1-CD1 3.44Å; L864-I877 VanDerWaalsContact CD1-CD1 3.44Å; L873-I877 HydrophobicContact CD2-CD1 4.31Å; L873-I877 HydrophobicContact CG-CD1 4.35Å; L873-I877 WeakPolarHBondContact O-CG1 3.21Å; L873-I877 PolarHBondContact O-N 3.4Å; L873-I877 VanDerWaalsContact O-N 3.08Å; G874-I877 PolarHBondContact O-N 3.47Å; R875-I877 VanDerWaalsContact C-N 3.29Å; R875-I877 PolarHBondContact O-N 2.77Å; I877-K879 PolarHBondContact O-N 3.02Å; I877-V880 PolarHBondContact O-N 3.33Å; I877-N881 VanDerWaalsContact O-CB 3.27Å; I877-N881 WeakPolarHBondContact O-CB 3.32Å; I877-N881 PolarHBondContact O-N 2.87Å
878	L	90.3	Very high	88.5	Confident	10 Å²	10	70.1 Å²	70.1	5%	0.052	35%	0.351	C	S	.	.	H	α-helix	trans	-65.4	-36.7	177.5	-70.6	173.6	0	0	0	112.8	Y858 G874 R875 V876 V880 N881 I882	Y858-L878 HydrophobicContact CD2-CD2 3.78Å; Y858-L878 HydrophobicContact CE2-CD2 3.93Å; G874-L878 WeakPolarHBondContact O-CG 3.42Å; G874-L878 PolarHBondContact O-N 3.1Å; R875-L878 PolarHBondContact O-N 3.43Å; V876-L878 PolarHBondContact O-N 3.29Å; L878-V880 VanDerWaalsContact C-N 3.34Å; L878-N881 WeakPolarHBondContact O-CB 3.43Å; L878-N881 PolarHBondContact O-N 3.17Å; L878-I882 PolarHBondContact O-N 2.71Å
879	K	90.9	Very high	88.7	Confident	118 Å²	118	66.1 Å²	66.1	51%	0.513	32%	0.322	S	S	.	.	H	α-helix	trans	-61.5	-40.8	173	-77.6	168.7	179.4	-174.9	0	112	V803 R875 V876 I877 I882	V803-K879 HydrophobicContact CG1-CB 4.34Å; V803-K879 HydrophobicContact CG1-CG 3.75Å; R875-K879 WeakPolarHBondContact O-CB 3.33Å; R875-K879 VanDerWaalsContact O-CG 3.3Å; R875-K879 WeakPolarHBondContact O-CG 3.19Å; R875-K879 PolarHBondContact O-N 3.37Å; V876-K879 WeakPolarHBondContact O-CB 3.46Å; V876-K879 PolarHBondContact O-N 3.46Å; I877-K879 PolarHBondContact O-N 3.02Å; K879-I882 WeakPolarHBondContact O-CG2 3.44Å
880	V	91.7	Very high	88.7	Confident	81 Å²	81	59.5 Å²	59.5	49%	0.491	29%	0.293	S	S	.	.	H	α-helix	trans	-72.5	-36.8	174.6	176	0	0	0	0	110.7	V876 I877 L878 I882 M883	V876-V880 WeakPolarHBondContact O-CG2 3.4Å; V876-V880 PolarHBondContact O-N 3.43Å; I877-V880 PolarHBondContact O-N 3.33Å; L878-V880 VanDerWaalsContact C-N 3.34Å; V880-I882 VanDerWaalsContact C-N 3.26Å; V880-I882 PolarHBondContact O-N 2.89Å; V880-M883 WeakPolarHBondContact O-CB 3.41Å; V880-M883 PolarHBondContact O-N 3.31Å; V880-M883 VanDerWaalsContact O-N 3.12Å
881	N	92.9	Very high	88.3	Confident	1 Å²	1	58.7 Å²	58.7	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-59.4	-34.1	-177	-176.1	-98.8	0	0	0	113.3	F799 G854 S857 Y858 I877 L878 M883 F884 W885	F799-N881 HydrophobicContact CZ-CB 4.45Å; G854-N881 PolarHBondContact O-ND2 3.21Å; S857-N881 PolarHBondContact OG-ND2 2.96Å; Y858-N881 PolarHBondContact N-ND2 3.17Å; Y858-N881 VanDerWaalsContact N-ND2 3.2Å; I877-N881 VanDerWaalsContact O-CB 3.27Å; I877-N881 WeakPolarHBondContact O-CB 3.32Å; I877-N881 PolarHBondContact O-N 2.87Å; L878-N881 WeakPolarHBondContact O-CB 3.43Å; L878-N881 PolarHBondContact O-N 3.17Å; N881-M883 PolarHBondContact O-N 3.47Å; N881-M883 VanDerWaalsContact O-N 3.07Å; N881-F884 PolarHBondContact O-N 3.38Å; N881-W885 PolarHBondContact OD1-NE1 3.3Å
882	I	91.2	Very high	88.1	Confident	21 Å²	21	58.4 Å²	58.4	11%	0.108	29%	0.285	C	S	.	.	H	α-helix	trans	-55.3	-28.9	178.4	-156.1	173.3	0	0	0	113	F799 V803 L878 K879 V880 F884 W885 Y886	F799-I882 HydrophobicContact CD1-CB 4.24Å; F799-I882 HydrophobicContact CD1-CD1 4.33Å; F799-I882 HydrophobicContact CD1-CG1 3.73Å; F799-I882 HydrophobicContact CE1-CB 3.85Å; F799-I882 HydrophobicContact CE1-CG1 3.88Å; F799-I882 HydrophobicContact CZ-CB 4.48Å; V803-I882 HydrophobicContact CB-CD1 4.3Å; V803-I882 HydrophobicContact CG2-CD1 4.15Å; L878-I882 PolarHBondContact O-N 2.71Å; K879-I882 WeakPolarHBondContact O-CG2 3.44Å; V880-I882 VanDerWaalsContact C-N 3.26Å; V880-I882 PolarHBondContact O-N 2.89Å; I882-F884 VanDerWaalsContact C-N 3.32Å; I882-F884 PolarHBondContact O-N 3.4Å; I882-W885 PolarHBondContact O-N 3.31Å; I882-Y886 HydrophobicContact CD1-CD2 4.47Å; I882-Y886 HydrophobicContact CD1-CE2 3.82Å; I882-Y886 HydrophobicContact CG1-CD2 3.92Å; I882-Y886 HydrophobicContact CG1-CE2 3.76Å; I882-Y886 WeakPolarHBondContact O-CD2 3.46Å; I882-Y886 PolarHBondContact O-N 3.49Å
883	M	91.3	Very high	87.8	Confident	131 Å²	131	55.8 Å²	55.8	65%	0.645	27%	0.273	S	S	*	.	H	α-helix	trans	-60.2	-39	176.9	-67.1	-173.8	147.5	0	0	112.3	V880 N881 W885 Y886 M887	V880-M883 WeakPolarHBondContact O-CB 3.41Å; V880-M883 PolarHBondContact O-N 3.31Å; V880-M883 VanDerWaalsContact O-N 3.12Å; N881-M883 PolarHBondContact O-N 3.47Å; N881-M883 VanDerWaalsContact O-N 3.07Å; M883-W885 VanDerWaalsContact C-N 3.31Å; M883-W885 PolarHBondContact O-N 3.02Å; M883-Y886 PolarHBondContact O-N 3.36Å; M883-M887 WeakPolarHBondContact O-CB 3.34Å; M883-M887 VanDerWaalsContact O-CG 3.3Å; M883-M887 WeakPolarHBondContact O-CG 3.49Å; M883-M887 PolarHBondContact O-N 3.17Å
884	F	90.8	Very high	87.3	Confident	71 Å²	71	51.5 Å²	51.5	31%	0.311	25%	0.251	S	S	.	.	H	α-helix	trans	-64.8	-36.4	179	-71.3	-72.5	0	0	0	112.1	A850 N881 I882 M887 R888	A850-F884 WeakPolarHBondContact O-CD1 3.16Å; N881-F884 PolarHBondContact O-N 3.38Å; I882-F884 VanDerWaalsContact C-N 3.32Å; I882-F884 PolarHBondContact O-N 3.4Å; F884-M887 PolarHBondContact O-N 2.81Å; F884-R888 PolarHBondContact O-N 2.95Å
885	W	88.8	Confident	86.6	Confident	5 Å²	5	51.9 Å²	51.9	2%	0.019	25%	0.254	C	S	.	.	H	α-helix	trans	-73.4	-40.6	177.6	-58.6	98.2	0	0	0	111.3	Y792 F795 L796 F799 V822 F825 N881 I882 M883 M887 R888 L889	Y792-W885 PolarHBondContact OH-O 3.09Å; F795-W885 HydrophobicContact CE1-CB 4.1Å; F795-W885 AromaticContact CE1-CD2 3.73Å; F795-W885 HydrophobicContact CE1-CD2 3.73Å; F795-W885 AromaticContact CE1-CE3 3.63Å; F795-W885 HydrophobicContact CE1-CE3 3.63Å; F795-W885 AromaticContact CE1-CG 3.94Å; F795-W885 HydrophobicContact CE1-CG 3.94Å; F795-W885 HydrophobicContact CE1-CZ3 4.36Å; F795-W885 AromaticContact CZ-CD2 3.59Å; F795-W885 HydrophobicContact CZ-CD2 3.59Å; F795-W885 AromaticContact CZ-CE2 3.96Å; F795-W885 AromaticContact CZ-CE3 3.72Å; F795-W885 HydrophobicContact CZ-CE3 3.72Å; F795-W885 AromaticContact CZ-CG 3.98Å; F795-W885 HydrophobicContact CZ-CG 3.98Å; F795-W885 HydrophobicContact CZ-CZ2 4.43Å; F795-W885 HydrophobicContact CZ-CZ3 4.2Å; L796-W885 HydrophobicContact CD2-CB 3.92Å; F799-W885 AromaticContact CD1-CD1 3.94Å; F799-W885 HydrophobicContact CD1-CG 4.45Å; F799-W885 AromaticContact CE1-CD1 3.48Å; F799-W885 VanDerWaalsContact CE1-CD1 3.48Å; F799-W885 HydrophobicContact CE1-CG 4.38Å; F799-W885 AromaticContact CE1-NE1 3.88Å; V822-W885 HydrophobicContact CB-CH2 4.34Å; V822-W885 HydrophobicContact CB-CZ2 4.22Å; V822-W885 HydrophobicContact CG1-CH2 4.04Å; V822-W885 HydrophobicContact CG1-CZ2 3.81Å; V822-W885 HydrophobicContact CG2-CH2 3.83Å; V822-W885 HydrophobicContact CG2-CZ2 3.46Å; V822-W885 VanDerWaalsContact CG2-CZ2 3.46Å; F825-W885 HydrophobicContact CD1-CH2 4.27Å; F825-W885 HydrophobicContact CD1-CZ3 4.28Å; N881-W885 PolarHBondContact OD1-NE1 3.3Å; I882-W885 PolarHBondContact O-N 3.31Å; M883-W885 VanDerWaalsContact C-N 3.31Å; M883-W885 PolarHBondContact O-N 3.02Å; W885-M887 VanDerWaalsContact C-N 3.29Å; W885-M887 PolarHBondContact O-N 3.25Å; W885-R888 WeakPolarHBondContact O-CB 3.46Å; W885-R888 PolarHBondContact O-N 3.21Å; W885-R888 VanDerWaalsContact O-N 3.09Å; W885-L889 PolarHBondContact O-N 3.44Å; W885-L889 VanDerWaalsContact O-N 3.14Å
886	Y	89.2	Confident	86	Confident	109 Å²	109	51.9 Å²	51.9	43%	0.427	26%	0.261	S	S	.	.	H	α-helix	trans	-62.1	-35.9	170	-82.7	-72.2	0	0	0	112.9	T800 I882 M883 R888 L889	T800-Y886 PolarHBondContact OG1-OH 3.14Å; I882-Y886 HydrophobicContact CD1-CD2 4.47Å; I882-Y886 HydrophobicContact CD1-CE2 3.82Å; I882-Y886 HydrophobicContact CG1-CD2 3.92Å; I882-Y886 HydrophobicContact CG1-CE2 3.76Å; I882-Y886 WeakPolarHBondContact O-CD2 3.46Å; I882-Y886 PolarHBondContact O-N 3.49Å; M883-Y886 PolarHBondContact O-N 3.36Å; Y886-R888 VanDerWaalsContact C-N 3.31Å; Y886-R888 PolarHBondContact O-N 3.21Å; Y886-L889 HydrophobicContact CD1-CD2 4.5Å; Y886-L889 WeakPolarHBondContact O-CB 3.5Å; Y886-L889 PolarHBondContact O-N 2Å; Y886-L889 VanDerWaalsContact O-N 3.15Å
887	M	86.6	Confident	85.1	Confident	96 Å²	96	51.8 Å²	51.8	47%	0.473	27%	0.265	S	S	.	.	H	α-helix	trans	-63.4	-36.6	172.5	-74.4	-65.3	-70.8	0	0	112.1	W847 M883 F884 W885 L889 L890	W847-M887 WeakPolarHBondContact CZ3-O 3.34Å; M883-M887 WeakPolarHBondContact O-CB 3.34Å; M883-M887 VanDerWaalsContact O-CG 3.3Å; M883-M887 WeakPolarHBondContact O-CG 3.49Å; M883-M887 PolarHBondContact O-N 3.17Å; F884-M887 PolarHBondContact O-N 2.81Å; W885-M887 VanDerWaalsContact C-N 3.29Å; W885-M887 PolarHBondContact O-N 3.25Å; M887-L889 VanDerWaalsContact C-N 3.27Å; M887-L889 PolarHBondContact O-N 3.4Å; M887-L890 HydrophobicContact CE-CD1 4.16Å; M887-L890 VanDerWaalsContact O-CB 3.3Å; M887-L890 WeakPolarHBondContact O-CB 3.43Å; M887-L890 PolarHBondContact O-N 2.97Å; M887-L890 VanDerWaalsContact O-N 3.14Å; M887-L890 HydrophobicContact SD-CD1 3.87Å
888	R	85.4	Confident	84.4	Confident	28 Å²	28	59.3 Å²	59.3	11%	0.106	29%	0.29	C	S	.	.	H	α-helix	trans	-67.1	-25.9	174.8	-176.9	68.3	174.9	-166.6	7.3	112.4	Y792 D848 S851 F884 W885 Y886 L890 H891 V892	Y792-R888 WeakPolarHBondContact OH-CB 3.39Å; D848-R888 IonicContact OD1-NH1 2.84Å; D848-R888 PolarHBondContact OD1-NH1 3.46Å; S851-R888 PolarHBondContact OG-NH1 3.3Å; F884-R888 PolarHBondContact O-N 2.95Å; W885-R888 WeakPolarHBondContact O-CB 3.46Å; W885-R888 PolarHBondContact O-N 3.21Å; W885-R888 VanDerWaalsContact O-N 3.09Å; Y886-R888 VanDerWaalsContact C-N 3.31Å; Y886-R888 PolarHBondContact O-N 3.21Å; R888-L890 VanDerWaalsContact C-N 3.26Å; R888-L890 PolarHBondContact O-N 3.49Å; R888-H891 WeakPolarHBondContact O-CB 3.42Å; R888-H891 PolarHBondContact O-N 3Å; R888-H891 VanDerWaalsContact O-N 3.09Å; R888-V892 PolarHBondContact O-N 2.91Å
889	L	84.1	Confident	83.8	Confident	41 Å²	41	63 Å²	63	22%	0.215	31%	0.309	C	S	.	.	H	α-helix	trans	-59.6	-36.1	170.5	-173	67.6	0	0	0	112	Y792 L796 W885 Y886 M887 H891 V892 M893	Y792-L889 HydrophobicContact CD1-CD1 4.08Å; Y792-L889 HydrophobicContact CE1-CB 4.16Å; Y792-L889 HydrophobicContact CE1-CD1 3.82Å; L796-L889 HydrophobicContact CD1-CD1 4.13Å; L796-L889 HydrophobicContact CD1-CD2 4.36Å; W885-L889 PolarHBondContact O-N 3.44Å; W885-L889 VanDerWaalsContact O-N 3.14Å; Y886-L889 HydrophobicContact CD1-CD2 4.5Å; Y886-L889 WeakPolarHBondContact O-CB 3.5Å; Y886-L889 PolarHBondContact O-N 2Å; Y886-L889 VanDerWaalsContact O-N 3.15Å; M887-L889 VanDerWaalsContact C-N 3.27Å; M887-L889 PolarHBondContact O-N 3.4Å; L889-H891 VanDerWaalsContact C-N 3.25Å; L889-H891 PolarHBondContact O-N 2.92Å; L889-V892 PolarHBondContact O-N 3.16Å; L889-V892 VanDerWaalsContact O-N 3.08Å; L889-M893 HydrophobicContact CG-CE 4.34Å; L889-M893 WeakPolarHBondContact O-CG 3.36Å; L889-M893 PolarHBondContact O-N 2.62Å
890	L	84.2	Confident	83.3	Confident	57 Å²	57	57.3 Å²	57.3	30%	0.298	29%	0.285	S	S	.	.	H	α-helix	trans	-58.6	-39.5	174.6	-64.8	174.9	0	0	0	111.5	W847 M887 R888 V892 M893 T894	W847-L890 HydrophobicContact CH2-CB 3.95Å; W847-L890 HydrophobicContact CH2-CD1 4.41Å; W847-L890 HydrophobicContact CZ3-CB 4.34Å; M887-L890 HydrophobicContact CE-CD1 4.16Å; M887-L890 VanDerWaalsContact O-CB 3.3Å; M887-L890 WeakPolarHBondContact O-CB 3.43Å; M887-L890 PolarHBondContact O-N 2.97Å; M887-L890 VanDerWaalsContact O-N 3.14Å; M887-L890 HydrophobicContact SD-CD1 3.87Å; R888-L890 VanDerWaalsContact C-N 3.26Å; R888-L890 PolarHBondContact O-N 3.49Å; L890-V892 VanDerWaalsContact C-N 3.35Å; L890-M893 HydrophobicContact CD2-CE 3.46Å; L890-M893 VanDerWaalsContact CD2-CE 3.46Å; L890-M893 HydrophobicContact CG-CE 4.37Å; L890-M893 PolarHBondContact O-N 3.45Å; L890-T894 WeakPolarHBondContact O-CG2 3.41Å; L890-T894 PolarHBondContact O-N 3Å
891	H	81.3	Confident	82.6	Confident	33 Å²	33	54.1 Å²	54.1	15%	0.153	27%	0.265	C	S	.	.	H	α-helix	trans	-64.1	-38.5	175.4	-176.4	-101.1	0	0	0	111.7	W847 R888 L889 M893 T894 Q1021	W847-H891 AromaticContact CD1-CD2 3.49Å; W847-H891 VanDerWaalsContact CD1-CD2 3.49Å; W847-H891 HydrophobicContact CD2-CB 4.13Å; W847-H891 HydrophobicContact CE3-CB 4.18Å; W847-H891 HydrophobicContact CG-CB 4.44Å; W847-H891 AromaticContact CG-CD2 3.6Å; W847-H891 AromaticContact NE1-CD2 3.86Å; R888-H891 WeakPolarHBondContact O-CB 3.42Å; R888-H891 PolarHBondContact O-N 3Å; R888-H891 VanDerWaalsContact O-N 3.09Å; L889-H891 VanDerWaalsContact C-N 3.25Å; L889-H891 PolarHBondContact O-N 2.92Å; H891-M893 VanDerWaalsContact C-N 3.31Å; H891-M893 PolarHBondContact O-N 3.17Å; H891-T894 PolarHBondContact O-N 3.23Å; H891-T894 PolarHBondContact O-OG1 3.09Å; H891-Q1021 PolarHBondContact O-NE2 3.06Å
892	V	78.2	Confident	82.1	Confident	22 Å²	22	60.6 Å²	60.6	13%	0.133	29%	0.291	C	S	.	.	H	α-helix	trans	-65.3	-38.7	174.5	-177	0	0	0	0	110.8	I789 Y792 R888 L889 L890 T894	I789-V892 HydrophobicContact CG1-CG1 4.34Å; Y792-V892 HydrophobicContact CD1-CG2 4.35Å; Y792-V892 HydrophobicContact CE1-CG2 4.35Å; R888-V892 PolarHBondContact O-N 2.91Å; L889-V892 PolarHBondContact O-N 3.16Å; L889-V892 VanDerWaalsContact O-N 3.08Å; L890-V892 VanDerWaalsContact C-N 3.35Å; V892-T894 PolarHBondContact O-N 3.35Å
893	M	80.1	Confident	81.7	Confident	62 Å²	62	60.9 Å²	60.9	31%	0.305	29%	0.292	S	S	.	.	H	α-helix	trans	-69.6	-15.5	-179.8	-69	-168.1	-67.4	0	0	114.2	L889 L890 H891 V895 S896 L899 I903	L889-M893 HydrophobicContact CG-CE 4.34Å; L889-M893 WeakPolarHBondContact O-CG 3.36Å; L889-M893 PolarHBondContact O-N 2.62Å; L890-M893 HydrophobicContact CD2-CE 3.46Å; L890-M893 VanDerWaalsContact CD2-CE 3.46Å; L890-M893 HydrophobicContact CG-CE 4.37Å; L890-M893 PolarHBondContact O-N 3.45Å; H891-M893 VanDerWaalsContact C-N 3.31Å; H891-M893 PolarHBondContact O-N 3.17Å; M893-V895 PolarHBondContact O-N 3.23Å; M893-S896 VanDerWaalsContact O-CB 3.27Å; M893-S896 WeakPolarHBondContact O-CB 3.2Å; M893-S896 PolarHBondContact O-N 2.95Å; M893-S896 VanDerWaalsContact O-N 3.07Å; M893-L899 HydrophobicContact SD-CD1 4.18Å; M893-I903 HydrophobicContact CB-CD1 3.85Å
894	T	79.3	Confident	81	Confident	12 Å²	12	55.4 Å²	55.4	7%	0.074	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-20	178.9	55.2	0	0	0	0	113.7	L890 H891 V892 S896 G900 I903 W1014 Q1021	L890-T894 WeakPolarHBondContact O-CG2 3.41Å; L890-T894 PolarHBondContact O-N 3Å; H891-T894 PolarHBondContact O-N 3.23Å; H891-T894 PolarHBondContact O-OG1 3.09Å; V892-T894 PolarHBondContact O-N 3.35Å; T894-S896 VanDerWaalsContact C-N 3.26Å; T894-S896 PolarHBondContact O-N 3.01Å; T894-G900 VanDerWaalsContact O-CA 3.28Å; T894-G900 WeakPolarHBondContact O-CA 3Å; T894-I903 HydrophobicContact CG2-CB 3.93Å; T894-I903 HydrophobicContact CG2-CD1 4.04Å; T894-I903 HydrophobicContact CG2-CG2 3.53Å; T894-W1014 PolarHBondContact O-NE1 3.08Å; T894-Q1021 PolarHBondContact OG1-NE2 3.24Å; T894-Q1021 PolarHBondContact OG1-OE1 3Å
895	V	71.9	Confident	80.2	Confident	9 Å²	9	53.3 Å²	53.3	6%	0.055	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-26.2	175.7	-172.4	0	0	0	0	112.1	W649 M893 S897 Q1021 Y1025	W649-V895 HydrophobicContact CD2-CG1 3.51Å; W649-V895 VanDerWaalsContact CE2-CG1 3.45Å; W649-V895 HydrophobicContact CE3-CG1 3.6Å; W649-V895 HydrophobicContact CG-CG1 4.27Å; W649-V895 HydrophobicContact CH2-CB 3.8Å; W649-V895 HydrophobicContact CH2-CG1 3.55Å; W649-V895 HydrophobicContact CH2-CG2 3.58Å; W649-V895 HydrophobicContact CZ2-CB 3.89Å; W649-V895 HydrophobicContact CZ2-CG1 3.47Å; W649-V895 VanDerWaalsContact CZ2-CG1 3.47Å; W649-V895 HydrophobicContact CZ2-CG2 4.19Å; W649-V895 HydrophobicContact CZ3-CB 4.2Å; W649-V895 HydrophobicContact CZ3-CG1 3.62Å; W649-V895 HydrophobicContact CZ3-CG2 3.79Å; M893-V895 PolarHBondContact O-N 3.23Å; V895-S897 PolarHBondContact O-N 2.96Å; V895-Q1021 HydrophobicContact CG2-CG 3.69Å; V895-Y1025 HydrophobicContact CG2-CD2 4.36Å; V895-Y1025 HydrophobicContact CG2-CE2 3.97Å
896	S	74.6	Confident	79.8	Confident	49 Å²	49	59.4 Å²	59.4	34%	0.343	28%	0.282	S	S	.	.	S	Bend	trans	-59.6	131.1	179.9	177.2	0	0	0	0	110.8	M893 T894 R898 G900	M893-S896 VanDerWaalsContact O-CB 3.27Å; M893-S896 WeakPolarHBondContact O-CB 3.2Å; M893-S896 PolarHBondContact O-N 2.95Å; M893-S896 VanDerWaalsContact O-N 3.07Å; T894-S896 VanDerWaalsContact C-N 3.26Å; T894-S896 PolarHBondContact O-N 3.01Å; S896-R898 PolarHBondContact O-N 3.32Å; S896-G900 WeakPolarHBondContact O-CA 2.98Å; S896-G900 PolarHBondContact O-N 3.18Å
897	S	72.2	Confident	79.2	Confident	84 Å²	84	55.6 Å²	55.6	59%	0.587	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-23.1	179.6	57.7	0	0	0	0	114	V895	V895-S897 PolarHBondContact O-N 2.96Å
898	R	76.7	Confident	78.5	Confident	206 Å²	206	54.7 Å²	54.7	78%	0.777	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-47.5	179.1	-65.3	-175.1	-178.7	177.3	-0.6	112.4	S896 Y902	S896-R898 PolarHBondContact O-N 3.32Å; R898-Y902 WeakPolarHBondContact O-CD2 3.45Å; R898-Y902 WeakPolarHBondContact O-CE2 3.37Å
899	L	79.8	Confident	78	Confident	86 Å²	86	54.3 Å²	54.3	45%	0.45	27%	0.268	S	S	.	.	H	α-helix	trans	-84.2	-29.4	-173.7	-68.4	171.3	0	0	0	113	M893 Y902 I903	M893-L899 HydrophobicContact SD-CD1 4.18Å; L899-Y902 PolarHBondContact O-N 3.38Å; L899-Y902 VanDerWaalsContact O-N 3.16Å; L899-I903 HydrophobicContact CB-CD1 4.4Å; L899-I903 WeakPolarHBondContact O-CG1 3.3Å; L899-I903 PolarHBondContact O-N 3.17Å; L899-I903 VanDerWaalsContact O-N 3.07Å
900	G	78.6	Confident	77.6	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-57.2	-48.4	-174.9	0	0	0	0	0	114.8	T894 S896 Y902 I903 T904 W1014	T894-G900 VanDerWaalsContact O-CA 3.28Å; T894-G900 WeakPolarHBondContact O-CA 3Å; S896-G900 WeakPolarHBondContact O-CA 2.98Å; S896-G900 PolarHBondContact O-N 3.18Å; G900-Y902 VanDerWaalsContact C-N 3.29Å; G900-Y902 PolarHBondContact O-N 3.12Å; G900-I903 PolarHBondContact O-N 3.08Å; G900-T904 WeakPolarHBondContact O-CG2 3.37Å; G900-T904 PolarHBondContact O-N 3.22Å; G900-T904 PolarHBondContact O-OG1 3.39Å; G900-W1014 VanDerWaalsContact CA-NE1 3.28Å
901	P	77.8	Confident	77.1	Confident	13 Å²	13	57.3 Å²	57.3	8%	0.084	29%	0.294	C	S	.	.	H	α-helix	trans	-54.6	-45.1	175.4	-25	33.3	0	0	0	112.3	I903 T904 I905 W1014	P901-I903 PolarHBondContact O-N 2.91Å; P901-T904 PolarHBondContact O-N 3.15Å; P901-T904 PolarHBondContact O-OG1 2.93Å; P901-I905 VanDerWaalsContact O-CG1 3.23Å; P901-I905 WeakPolarHBondContact O-CG1 3.5Å; P901-I905 PolarHBondContact O-N 3.44Å; P901-W1014 HydrophobicContact CB-CB 4.41Å; P901-W1014 HydrophobicContact CB-CD2 4.47Å; P901-W1014 HydrophobicContact CB-CG 4.27Å; P901-W1014 HydrophobicContact CG-CB 4.39Å; P901-W1014 HydrophobicContact CG-CD2 3.56Å; P901-W1014 HydrophobicContact CG-CE3 3.7Å; P901-W1014 HydrophobicContact CG-CG 3.83Å; P901-W1014 HydrophobicContact CG-CZ3 4.26Å
902	Y	81.5	Confident	76.5	Confident	137 Å²	137	63.1 Å²	63.1	54%	0.537	32%	0.319	S	S	.	.	H	α-helix	trans	-62.8	-45	179.8	-62.6	-71.7	0	0	0	112.8	R898 L899 G900 T904 I905 Y906	R898-Y902 WeakPolarHBondContact O-CD2 3.45Å; R898-Y902 WeakPolarHBondContact O-CE2 3.37Å; L899-Y902 PolarHBondContact O-N 3.38Å; L899-Y902 VanDerWaalsContact O-N 3.16Å; G900-Y902 VanDerWaalsContact C-N 3.29Å; G900-Y902 PolarHBondContact O-N 3.12Å; Y902-T904 VanDerWaalsContact C-N 3.29Å; Y902-T904 PolarHBondContact O-N 2.98Å; Y902-I905 HydrophobicContact CD1-CD1 4.42Å; Y902-I905 WeakPolarHBondContact O-CB 3.31Å; Y902-I905 PolarHBondContact O-N 3.14Å; Y902-Y906 WeakPolarHBondContact O-CD2 3.25Å; Y902-Y906 PolarHBondContact O-N 3.29Å
903	I	82.9	Confident	76.4	Confident	28 Å²	28	65 Å²	65	14%	0.144	33%	0.327	C	S	.	.	H	α-helix	trans	-62.8	-39.6	178.4	-61.3	167.8	0	0	0	110.6	W847 M893 T894 L899 G900 P901 Y906 G907	W847-I903 HydrophobicContact CZ2-CG2 4.46Å; M893-I903 HydrophobicContact CB-CD1 3.85Å; T894-I903 HydrophobicContact CG2-CB 3.93Å; T894-I903 HydrophobicContact CG2-CD1 4.04Å; T894-I903 HydrophobicContact CG2-CG2 3.53Å; L899-I903 HydrophobicContact CB-CD1 4.4Å; L899-I903 WeakPolarHBondContact O-CG1 3.3Å; L899-I903 PolarHBondContact O-N 3.17Å; L899-I903 VanDerWaalsContact O-N 3.07Å; G900-I903 PolarHBondContact O-N 3.08Å; P901-I903 PolarHBondContact O-N 2.91Å; I903-Y906 PolarHBondContact O-N 3.09Å; I903-G907 PolarHBondContact O-N 3.01Å
904	T	76.4	Confident	76.3	Confident	15 Å²	15	66 Å²	66	9%	0.092	34%	0.337	C	S	.	.	H	α-helix	trans	-69.7	-32.2	176.9	66.3	0	0	0	0	113.2	G900 P901 Y902 K908 W1014	G900-T904 WeakPolarHBondContact O-CG2 3.37Å; G900-T904 PolarHBondContact O-N 3.22Å; G900-T904 PolarHBondContact O-OG1 3.39Å; P901-T904 PolarHBondContact O-N 3.15Å; P901-T904 PolarHBondContact O-OG1 2.93Å; Y902-T904 VanDerWaalsContact C-N 3.29Å; Y902-T904 PolarHBondContact O-N 2.98Å; T904-K908 WeakPolarHBondContact O-CG 3.41Å; T904-K908 PolarHBondContact O-N 2.79Å; T904-W1014 HydrophobicContact CG2-CB 4.28Å
905	I	74.9	Confident	76.3	Confident	28 Å²	28	71.2 Å²	71.2	14%	0.144	36%	0.363	C	S	.	.	H	α-helix	trans	-61.1	-57.4	170.3	-69.9	164.9	0	0	0	108.6	P901 Y902 G907 K908 M909 S1010	P901-I905 VanDerWaalsContact O-CG1 3.23Å; P901-I905 WeakPolarHBondContact O-CG1 3.5Å; P901-I905 PolarHBondContact O-N 3.44Å; Y902-I905 HydrophobicContact CD1-CD1 4.42Å; Y902-I905 WeakPolarHBondContact O-CB 3.31Å; Y902-I905 PolarHBondContact O-N 3.14Å; I905-G907 VanDerWaalsContact C-N 3.35Å; I905-G907 PolarHBondContact O-N 3.36Å; I905-K908 PolarHBondContact O-N 3.4Å; I905-M909 HydrophobicContact CG2-CE 3.13Å; I905-M909 HydrophobicContact CG2-CG 4.01Å; I905-M909 HydrophobicContact CG2-SD 3.64Å; I905-M909 VanDerWaalsContact O-CG 3.29Å; I905-M909 WeakPolarHBondContact O-CG 3.3Å; I905-M909 PolarHBondContact O-N 3.14Å; I905-S1010 VanDerWaalsContact CD1-OG 3.23Å; I905-S1010 WeakPolarHBondContact CD1-OG 3.36Å; I905-S1010 WeakPolarHBondContact CG1-OG 3.15Å
906	Y	79.5	Confident	76.5	Confident	133 Å²	133	71.8 Å²	71.8	52%	0.522	37%	0.366	S	S	.	.	H	α-helix	trans	-56.4	-45.5	-179.3	-69	-55	0	0	0	112.2	Y902 I903 K908 M909 V910	Y902-Y906 WeakPolarHBondContact O-CD2 3.25Å; Y902-Y906 PolarHBondContact O-N 3.29Å; I903-Y906 PolarHBondContact O-N 3.09Å; Y906-K908 PolarHBondContact O-N 3.01Å; Y906-M909 HydrophobicContact CD1-SD 4.03Å; Y906-M909 HydrophobicContact CE1-SD 4.45Å; Y906-M909 WeakPolarHBondContact O-CB 3.29Å; Y906-M909 PolarHBondContact O-N 3.37Å; Y906-M909 VanDerWaalsContact O-N 3.1Å; Y906-V910 WeakPolarHBondContact O-CG2 3.49Å; Y906-V910 PolarHBondContact O-N 3.39Å
907	G	77.8	Confident	76.8	Confident	28 Å²	28	73 Å²	73	29%	0.289	37%	0.374	S	S	.	.	H	α-helix	trans	-63	-23.8	179.1	0	0	0	0	0	115	R846 I903 I905	R846-G907 PolarHBondContact NH1-O 3.31Å; R846-G907 VanDerWaalsContact NH1-O 3.14Å; I903-G907 PolarHBondContact O-N 3.01Å; I905-G907 VanDerWaalsContact C-N 3.35Å; I905-G907 PolarHBondContact O-N 3.36Å
908	K	72.6	Confident	77.4	Confident	78 Å²	78	73.7 Å²	73.7	34%	0.339	37%	0.369	S	S	.	.	H	α-helix	trans	-89.1	-34.1	171.5	-73.7	-178.3	-178.6	173.3	0	112.9	T904 I905 Y906 V910 S911	T904-K908 WeakPolarHBondContact O-CG 3.41Å; T904-K908 PolarHBondContact O-N 2.79Å; I905-K908 PolarHBondContact O-N 3.4Å; Y906-K908 PolarHBondContact O-N 3.01Å; K908-V910 VanDerWaalsContact C-N 3.33Å; K908-S911 PolarHBondContact O-N 2.74Å
909	M	73.8	Confident	77.9	Confident	19 Å²	19	67.8 Å²	67.8	9%	0.094	35%	0.353	C	S	.	.	H	α-helix	trans	-59.6	-46	172.7	-69.4	178.7	168.8	0	0	110	I905 Y906 S911 K912 M913 A1005 F1006	I905-M909 HydrophobicContact CG2-CE 3.13Å; I905-M909 HydrophobicContact CG2-CG 4.01Å; I905-M909 HydrophobicContact CG2-SD 3.64Å; I905-M909 VanDerWaalsContact O-CG 3.29Å; I905-M909 WeakPolarHBondContact O-CG 3.3Å; I905-M909 PolarHBondContact O-N 3.14Å; Y906-M909 HydrophobicContact CD1-SD 4.03Å; Y906-M909 HydrophobicContact CE1-SD 4.45Å; Y906-M909 WeakPolarHBondContact O-CB 3.29Å; Y906-M909 PolarHBondContact O-N 3.37Å; Y906-M909 VanDerWaalsContact O-N 3.1Å; M909-S911 VanDerWaalsContact C-N 3.28Å; M909-S911 PolarHBondContact O-N 3.33Å; M909-S911 VanDerWaalsContact O-N 3.17Å; M909-K912 CarbonylContact O-C 3.55Å; M909-K912 WeakPolarHBondContact O-CA 3.19Å; M909-K912 WeakPolarHBondContact O-CB 3.3Å; M909-K912 PolarHBondContact O-N 3.02Å; M909-M913 HydrophobicContact CB-SD 4.4Å; M909-M913 VanDerWaalsContact O-CG 3.3Å; M909-M913 WeakPolarHBondContact O-CG 3.49Å; M909-M913 PolarHBondContact O-N 3.18Å; M909-A1005 HydrophobicContact CE-CB 3.48Å; M909-A1005 VanDerWaalsContact CE-CB 3.48Å; M909-A1005 WeakPolarHBondContact CE-O 3.41Å; M909-A1005 HydrophobicContact CG-CB 3.83Å; M909-A1005 HydrophobicContact SD-CB 3.78Å; M909-F1006 HydrophobicContact CE-CD1 3.66Å; M909-F1006 HydrophobicContact CE-CE1 3.93Å; M909-F1006 HydrophobicContact CE-CG 4.11Å
910	V	76.1	Confident	78.1	Confident	82 Å²	82	65 Å²	65	50%	0.497	34%	0.338	S	S	.	.	H	α-helix	trans	-52.5	-43.2	-179.8	171.5	0	0	0	0	112.4	Y906 K908 K912 M913 V914	Y906-V910 WeakPolarHBondContact O-CG2 3.49Å; Y906-V910 PolarHBondContact O-N 3.39Å; K908-V910 VanDerWaalsContact C-N 3.33Å; V910-K912 PolarHBondContact O-N 2.97Å; V910-M913 PolarHBondContact O-N 3.15Å; V910-M913 VanDerWaalsContact O-N 3.1Å; V910-V914 WeakPolarHBondContact O-CG2 3.44Å; V910-V914 PolarHBondContact O-N 3.39Å; V910-V914 VanDerWaalsContact O-N 3.11Å
911	S	72.8	Confident	78.5	Confident	80 Å²	80	70.3 Å²	70.3	56%	0.559	36%	0.361	S	S	*	.	H	α-helix	trans	-63.8	-27.8	178.3	-172.7	0	0	0	0	113.3	K908 M909	K908-S911 PolarHBondContact O-N 2.74Å; M909-S911 VanDerWaalsContact C-N 3.28Å; M909-S911 PolarHBondContact O-N 3.33Å; M909-S911 VanDerWaalsContact O-N 3.17Å
912	K	70.1	Confident	79.1	Confident	154 Å²	154	74 Å²	74	67%	0.67	38%	0.384	S	S	*	.	H	α-helix	trans	-86.1	-31.2	173.4	-64.1	-172.8	175.1	-171.9	0	111.8	M909 V910 V914 L915	M909-K912 CarbonylContact O-C 3.55Å; M909-K912 WeakPolarHBondContact O-CA 3.19Å; M909-K912 WeakPolarHBondContact O-CB 3.3Å; M909-K912 PolarHBondContact O-N 3.02Å; V910-K912 PolarHBondContact O-N 2.97Å; K912-V914 VanDerWaalsContact C-N 3.3Å; K912-V914 PolarHBondContact O-N 3.13Å; K912-L915 PolarHBondContact O-N 3.43Å
913	M	75.7	Confident	79.5	Confident	61 Å²	61	69.9 Å²	69.9	30%	0.3	37%	0.37	S	S	.	.	H	α-helix	trans	-67.8	-25.6	178	-67.1	-179.8	84.5	0	0	112.7	M909 V910 L915 L916 C917 M1001	M909-M913 HydrophobicContact CB-SD 4.4Å; M909-M913 VanDerWaalsContact O-CG 3.3Å; M909-M913 WeakPolarHBondContact O-CG 3.49Å; M909-M913 PolarHBondContact O-N 3.18Å; V910-M913 PolarHBondContact O-N 3.15Å; V910-M913 VanDerWaalsContact O-N 3.1Å; M913-L915 VanDerWaalsContact C-N 3.26Å; M913-L915 PolarHBondContact O-N 2.79Å; M913-L916 CarbonylContact O-C 3.57Å; M913-L916 WeakPolarHBondContact O-CA 3.31Å; M913-L916 WeakPolarHBondContact O-CB 3.45Å; M913-L916 PolarHBondContact O-N 3.36Å; M913-C917 PolarHBondContact O-N 3.46Å; M913-C917 PolarHBondContact O-SG 3.29Å; M913-C917 VanDerWaalsContact O-SG 3.35Å; M913-M1001 HydrophobicContact CB-CE 4.41Å; M913-M1001 HydrophobicContact CB-SD 4.48Å; M913-M1001 HydrophobicContact CE-CE 3.57Å; M913-M1001 HydrophobicContact CG-CE 3.58Å; M913-M1001 HydrophobicContact CG-SD 3.98Å; M913-M1001 HydrophobicContact SD-CE 4.25Å
914	V	78.1	Confident	79.9	Confident	85 Å²	85	68.9 Å²	68.9	52%	0.515	37%	0.365	S	S	.	.	H	α-helix	trans	-55	-43.4	176.7	173.2	0	0	0	0	111.6	V910 K912 L916 C917 I918	V910-V914 WeakPolarHBondContact O-CG2 3.44Å; V910-V914 PolarHBondContact O-N 3.39Å; V910-V914 VanDerWaalsContact O-N 3.11Å; K912-V914 VanDerWaalsContact C-N 3.3Å; K912-V914 PolarHBondContact O-N 3.13Å; V914-L916 VanDerWaalsContact C-N 3.29Å; V914-L916 PolarHBondContact O-N 3.4Å; V914-C917 PolarHBondContact O-N 3.39Å; V914-I918 HydrophobicContact CG1-CD1 4.45Å; V914-I918 WeakPolarHBondContact O-CG1 3.2Å; V914-I918 PolarHBondContact O-N 3.19Å
915	L	78.1	Confident	80.7	Confident	120 Å²	120	71.1 Å²	71.1	63%	0.628	38%	0.376	S	S	*	.	H	α-helix	trans	-63.2	-37.4	176.2	-175.7	68.2	0	0	0	111.6	K912 M913 I918 I919	K912-L915 PolarHBondContact O-N 3.43Å; M913-L915 VanDerWaalsContact C-N 3.26Å; M913-L915 PolarHBondContact O-N 2.79Å; L915-I918 WeakPolarHBondContact O-CB 3.46Å; L915-I918 PolarHBondContact O-N 2.77Å; L915-I919 PolarHBondContact O-N 3.18Å
916	L	76.7	Confident	81.5	Confident	22 Å²	22	73.7 Å²	73.7	12%	0.115	40%	0.397	C	S	.	.	H	α-helix	trans	-68.1	-44.4	176.3	-168.7	87.1	0	0	0	111.9	M913 V914 I918 I919 L920 V997 M1001	M913-L916 CarbonylContact O-C 3.57Å; M913-L916 WeakPolarHBondContact O-CA 3.31Å; M913-L916 WeakPolarHBondContact O-CB 3.45Å; M913-L916 PolarHBondContact O-N 3.36Å; V914-L916 VanDerWaalsContact C-N 3.29Å; V914-L916 PolarHBondContact O-N 3.4Å; L916-I918 PolarHBondContact O-N 3.09Å; L916-I919 PolarHBondContact O-N 3.29Å; L916-L920 WeakPolarHBondContact O-CB 3.47Å; L916-L920 PolarHBondContact O-N 3.49Å; L916-V997 HydrophobicContact CD1-CG1 3.49Å; L916-V997 VanDerWaalsContact CD1-CG1 3.49Å; L916-V997 HydrophobicContact CG-CG1 4.27Å; L916-M1001 HydrophobicContact CB-CE 4.35Å; L916-M1001 HydrophobicContact CB-SD 3.35Å; L916-M1001 WeakPolarHBondContact CB-SD 3.39Å; L916-M1001 HydrophobicContact CD1-CB 4.03Å; L916-M1001 HydrophobicContact CD1-CG 4.19Å; L916-M1001 HydrophobicContact CD1-SD 3.76Å; L916-M1001 HydrophobicContact CD2-CB 4.13Å; L916-M1001 HydrophobicContact CD2-CE 3.22Å; L916-M1001 HydrophobicContact CD2-CG 4.25Å; L916-M1001 HydrophobicContact CD2-SD 3.22Å; L916-M1001 WeakPolarHBondContact CD2-SD 3.36Å; L916-M1001 HydrophobicContact CG-CE 4.23Å; L916-M1001 HydrophobicContact CG-SD 3.56Å; L916-M1001 VanDerWaalsContact CG-SD 3.56Å
917	C	80.2	Confident	82.1	Confident	74 Å²	74	68 Å²	68	50%	0.5	38%	0.375	S	S	.	.	H	α-helix	trans	-57.5	-33.4	177.8	-66.8	0	0	0	0	110.9	M913 V914 F921	M913-C917 PolarHBondContact O-N 3.46Å; M913-C917 PolarHBondContact O-SG 3.29Å; M913-C917 VanDerWaalsContact O-SG 3.35Å; V914-C917 PolarHBondContact O-N 3.39Å; C917-F921 WeakPolarHBondContact O-CB 3.35Å; C917-F921 PolarHBondContact O-N 2.79Å
918	I	86.3	Confident	82.7	Confident	98 Å²	98	66.7 Å²	66.7	50%	0.503	36%	0.361	S	S	.	.	H	α-helix	trans	-65.1	-48.5	173.2	-64.7	165.6	0	0	0	111	V914 L915 L916 L920 F921 V922	V914-I918 HydrophobicContact CG1-CD1 4.45Å; V914-I918 WeakPolarHBondContact O-CG1 3.2Å; V914-I918 PolarHBondContact O-N 3.19Å; L915-I918 WeakPolarHBondContact O-CB 3.46Å; L915-I918 PolarHBondContact O-N 2.77Å; L916-I918 PolarHBondContact O-N 3.09Å; I918-L920 VanDerWaalsContact C-N 3.35Å; I918-L920 PolarHBondContact O-N 2.91Å; I918-F921 PolarHBondContact O-N 3.24Å; I918-V922 WeakPolarHBondContact O-CG2 3.18Å; I918-V922 PolarHBondContact O-N 3.27Å
919	I	86.1	Confident	83.7	Confident	83 Å²	83	66.4 Å²	66.4	43%	0.426	37%	0.366	S	S	.	.	H	α-helix	trans	-61.3	-44.9	178.3	-63.6	168.3	0	0	0	110.8	L915 L916 F921 V922 L923	L915-I919 PolarHBondContact O-N 3.18Å; L916-I919 PolarHBondContact O-N 3.29Å; I919-F921 VanDerWaalsContact C-N 3.34Å; I919-F921 PolarHBondContact O-N 2.91Å; I919-V922 PolarHBondContact O-N 3.43Å; I919-L923 PolarHBondContact O-N 3.19Å; I919-L923 VanDerWaalsContact O-N 3.1Å
920	L	84.5	Confident	84.5	Confident	27 Å²	27	68.3 Å²	68.3	14%	0.141	37%	0.373	C	S	.	.	H	α-helix	trans	-65.6	-38.7	179.1	-171.9	64.8	0	0	0	111.9	L916 I918 V922 L923 L924 L957	L916-L920 WeakPolarHBondContact O-CB 3.47Å; L916-L920 PolarHBondContact O-N 3.49Å; I918-L920 VanDerWaalsContact C-N 3.35Å; I918-L920 PolarHBondContact O-N 2.91Å; L920-V922 VanDerWaalsContact C-N 3.33Å; L920-V922 PolarHBondContact O-N 3.07Å; L920-L923 PolarHBondContact O-N 3.47Å; L920-L924 VanDerWaalsContact O-CB 3.27Å; L920-L924 WeakPolarHBondContact O-CB 3.45Å; L920-L924 PolarHBondContact O-N 2.91Å; L920-L957 HydrophobicContact CD1-CD1 3.76Å; L920-L957 HydrophobicContact CD2-CD1 4.18Å; L920-L957 HydrophobicContact CD2-CD2 3.65Å; L920-L957 HydrophobicContact CG-CD1 4.43Å
921	F	87.6	Confident	85.1	Confident	112 Å²	112	64.8 Å²	64.8	49%	0.491	35%	0.351	S	S	.	.	H	α-helix	trans	-63.7	-38.1	175.5	-175.9	-106.9	0	0	0	112.1	C917 I918 I919 L924 I925	C917-F921 WeakPolarHBondContact O-CB 3.35Å; C917-F921 PolarHBondContact O-N 2.79Å; I918-F921 PolarHBondContact O-N 3.24Å; I919-F921 VanDerWaalsContact C-N 3.34Å; I919-F921 PolarHBondContact O-N 2.91Å; F921-L924 PolarHBondContact O-N 3.31Å; F921-I925 HydrophobicContact CD1-CD1 3.85Å; F921-I925 HydrophobicContact CD2-CD1 4.49Å; F921-I925 HydrophobicContact CE1-CD1 3.26Å; F921-I925 HydrophobicContact CE1-CG1 4.32Å; F921-I925 HydrophobicContact CE2-CD1 3.98Å; F921-I925 HydrophobicContact CE2-CG1 4.38Å; F921-I925 HydrophobicContact CG-CD1 4.44Å; F921-I925 HydrophobicContact CZ-CD1 3.36Å; F921-I925 HydrophobicContact CZ-CG1 4.23Å; F921-I925 WeakPolarHBondContact O-CG1 3.22Å; F921-I925 PolarHBondContact O-N 2.99Å
922	V	90.4	Very high	85.8	Confident	91 Å²	91	61.3 Å²	61.3	55%	0.552	33%	0.326	S	S	*	.	H	α-helix	trans	-63.8	-44.8	173.9	171.7	0	0	0	0	111.3	I918 I919 L920 S926	I918-V922 WeakPolarHBondContact O-CG2 3.18Å; I918-V922 PolarHBondContact O-N 3.27Å; I919-V922 PolarHBondContact O-N 3.43Å; L920-V922 VanDerWaalsContact C-N 3.33Å; L920-V922 PolarHBondContact O-N 3.07Å; V922-S926 WeakPolarHBondContact O-CB 3.47Å; V922-S926 PolarHBondContact O-N 3.42Å
923	L	89.6	Confident	86.7	Confident	49 Å²	49	56.9 Å²	56.9	26%	0.257	32%	0.318	S	S	.	.	H	α-helix	trans	-62.4	-43	175.5	-69.6	173.2	0	0	0	111.8	I919 L920 S926 F927 Y990	I919-L923 PolarHBondContact O-N 3.19Å; I919-L923 VanDerWaalsContact O-N 3.1Å; L920-L923 PolarHBondContact O-N 3.47Å; L923-S926 PolarHBondContact O-N 3.38Å; L923-F927 PolarHBondContact O-N 3.11Å; L923-Y990 HydrophobicContact CB-CE2 4.48Å
924	L	91.1	Very high	87.2	Confident	8 Å²	8	55.3 Å²	55.3	4%	0.042	31%	0.311	C	S	.	.	H	α-helix	trans	-61.5	-49.9	179.3	-174.3	161.5	0	0	0	111.5	L920 F921 G928 V950 P953 Y954	L920-L924 VanDerWaalsContact O-CB 3.27Å; L920-L924 WeakPolarHBondContact O-CB 3.45Å; L920-L924 PolarHBondContact O-N 2.91Å; F921-L924 PolarHBondContact O-N 3.31Å; L924-G928 PolarHBondContact O-N 3.42Å; L924-V950 HydrophobicContact CD2-CB 4.32Å; L924-V950 HydrophobicContact CD2-CG1 3.92Å; L924-P953 HydrophobicContact CD2-CB 4.21Å; L924-P953 HydrophobicContact CG-CB 4Å; L924-Y954 HydrophobicContact CD1-CD2 3.98Å; L924-Y954 HydrophobicContact CD1-CG 4.48Å
925	I	92.2	Very high	87.3	Confident	61 Å²	61	52.2 Å²	52.2	31%	0.313	29%	0.292	S	S	.	.	H	α-helix	trans	-64	-43.8	178.3	-71.6	179.8	0	0	0	110.8	F921 F927 G928 V929	F921-I925 HydrophobicContact CD1-CD1 3.85Å; F921-I925 HydrophobicContact CD2-CD1 4.49Å; F921-I925 HydrophobicContact CE1-CD1 3.26Å; F921-I925 HydrophobicContact CE1-CG1 4.32Å; F921-I925 HydrophobicContact CE2-CD1 3.98Å; F921-I925 HydrophobicContact CE2-CG1 4.38Å; F921-I925 HydrophobicContact CG-CD1 4.44Å; F921-I925 HydrophobicContact CZ-CD1 3.36Å; F921-I925 HydrophobicContact CZ-CG1 4.23Å; F921-I925 WeakPolarHBondContact O-CG1 3.22Å; F921-I925 PolarHBondContact O-N 2.99Å; I925-F927 PolarHBondContact O-N 3.47Å; I925-G928 PolarHBondContact O-N 3.11Å; I925-V929 HydrophobicContact CG2-CG2 4.1Å; I925-V929 WeakPolarHBondContact O-CB 3.45Å; I925-V929 VanDerWaalsContact O-CG2 3.31Å; I925-V929 WeakPolarHBondContact O-CG2 3.49Å; I925-V929 PolarHBondContact O-N 3.02Å
926	S	92.3	Very high	87.7	Confident	83 Å²	83	51.5 Å²	51.5	58%	0.58	28%	0.282	S	S	*	.	H	α-helix	trans	-59.3	-47	-179.1	178.8	0	0	0	0	111.8	V922 L923 F930	V922-S926 WeakPolarHBondContact O-CB 3.47Å; V922-S926 PolarHBondContact O-N 3.42Å; L923-S926 PolarHBondContact O-N 3.38Å; S926-F930 WeakPolarHBondContact O-CB 3.48Å; S926-F930 PolarHBondContact O-N 3.29Å
927	F	92.1	Very high	87.8	Confident	13 Å²	13	54 Å²	54	6%	0.057	30%	0.3	C	S	.	.	H	α-helix	trans	-70.2	-39.1	176.4	174.3	-110.6	0	0	0	112.3	L923 I925 F930 R931 P953 M956 F986 M987 Y990	L923-F927 PolarHBondContact O-N 3.11Å; I925-F927 PolarHBondContact O-N 3.47Å; F927-F930 PolarHBondContact O-N 3.43Å; F927-R931 HydrophobicContact CZ-CB 4.38Å; F927-R931 HydrophobicContact CZ-CG 4.44Å; F927-R931 WeakPolarHBondContact O-CB 3.2Å; F927-R931 PolarHBondContact O-N 3.35Å; F927-P953 HydrophobicContact CD1-CB 4Å; F927-P953 HydrophobicContact CD1-CG 4.09Å; F927-P953 HydrophobicContact CE1-CB 4.43Å; F927-P953 HydrophobicContact CE1-CG 4.34Å; F927-M956 HydrophobicContact CE1-SD 3.78Å; F927-M956 HydrophobicContact CZ-SD 4.35Å; F927-F986 HydrophobicContact CD2-CB 4.33Å; F927-F986 HydrophobicContact CE2-CB 4.21Å; F927-M987 HydrophobicContact CE2-CB 4.15Å; F927-M987 HydrophobicContact CZ-CB 3.84Å; F927-M987 HydrophobicContact CZ-CG 4.16Å; F927-Y990 HydrophobicContact CB-CD2 3.8Å; F927-Y990 HydrophobicContact CB-CE2 4.35Å; F927-Y990 HydrophobicContact CB-CG 4.01Å; F927-Y990 AromaticContact CD1-CD1 3.61Å; F927-Y990 HydrophobicContact CD1-CD1 3.61Å; F927-Y990 HydrophobicContact CD1-CD2 4.13Å; F927-Y990 AromaticContact CD1-CE1 3.96Å; F927-Y990 HydrophobicContact CD1-CE1 3.96Å; F927-Y990 HydrophobicContact CD1-CE2 4.45Å; F927-Y990 AromaticContact CD1-CG 3.7Å; F927-Y990 HydrophobicContact CD1-CG 3.7Å; F927-Y990 HydrophobicContact CD2-CG 4.32Å; F927-Y990 AromaticContact CE1-CD1 3.84Å; F927-Y990 HydrophobicContact CE1-CD1 3.84Å; F927-Y990 HydrophobicContact CE1-CE1 4.28Å; F927-Y990 HydrophobicContact CE1-CG 4.28Å; F927-Y990 HydrophobicContact CG-CD1 4.13Å; F927-Y990 HydrophobicContact CG-CD2 4.05Å; F927-Y990 AromaticContact CG-CG 3.73Å; F927-Y990 HydrophobicContact CG-CG 3.73Å
928	G	91.1	Very high	88	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-62.8	-43.4	179.8	0	0	0	0	0	113.9	L924 I925 Q932 I949	L924-G928 PolarHBondContact O-N 3.42Å; I925-G928 PolarHBondContact O-N 3.11Å; G928-Q932 WeakPolarHBondContact O-CB 3.33Å; G928-Q932 PolarHBondContact O-N 3Å; G928-I949 VanDerWaalsContact CA-O 3.3Å; G928-I949 WeakPolarHBondContact CA-O 3.41Å
929	V	92.3	Very high	87.9	Confident	72 Å²	72	57.3 Å²	57.3	44%	0.436	31%	0.311	S	S	.	.	H	α-helix	trans	-64.9	-45.6	174.8	173.7	0	0	0	0	110.2	I925 R931 Q932 A933 I949	I925-V929 HydrophobicContact CG2-CG2 4.1Å; I925-V929 WeakPolarHBondContact O-CB 3.45Å; I925-V929 VanDerWaalsContact O-CG2 3.31Å; I925-V929 WeakPolarHBondContact O-CG2 3.49Å; I925-V929 PolarHBondContact O-N 3.02Å; V929-R931 PolarHBondContact O-N 3.22Å; V929-Q932 PolarHBondContact O-N 3.28Å; V929-A933 VanDerWaalsContact O-CB 3.25Å; V929-A933 WeakPolarHBondContact O-CB 3.48Å; V929-A933 PolarHBondContact O-N 3.06Å; V929-I949 HydrophobicContact CG2-CD1 4.41Å; V929-I949 HydrophobicContact CG2-CG2 3.8Å
930	F	91.1	Very high	87.9	Confident	59 Å²	59	57.3 Å²	57.3	26%	0.259	32%	0.318	S	S	.	.	H	α-helix	trans	-58.3	-48.9	177.3	173.7	-96.1	0	0	0	112.3	S926 F927 A933 I934 L982 F986	S926-F930 WeakPolarHBondContact O-CB 3.48Å; S926-F930 PolarHBondContact O-N 3.29Å; F927-F930 PolarHBondContact O-N 3.43Å; F930-A933 PolarHBondContact O-N 2.7Å; F930-I934 HydrophobicContact CD1-CD1 4.37Å; F930-I934 HydrophobicContact CD2-CD1 4.17Å; F930-I934 HydrophobicContact CE1-CD1 3.68Å; F930-I934 HydrophobicContact CE2-CD1 3.47Å; F930-I934 VanDerWaalsContact CE2-CD1 3.47Å; F930-I934 HydrophobicContact CE2-CG1 4.49Å; F930-I934 HydrophobicContact CZ-CD1 3.19Å; F930-I934 HydrophobicContact CZ-CG1 4.47Å; F930-I934 PolarHBondContact O-N 3.45Å; F930-L982 HydrophobicContact CZ-CB 4.15Å; F930-L982 HydrophobicContact CZ-CD2 4.47Å; F930-F986 HydrophobicContact CD1-CB 4.03Å; F930-F986 HydrophobicContact CD1-CD2 4.35Å; F930-F986 HydrophobicContact CD1-CG 4.27Å; F930-F986 HydrophobicContact CE1-CB 3.56Å; F930-F986 AromaticContact CE1-CD2 3.39Å; F930-F986 HydrophobicContact CE1-CD2 3.39Å; F930-F986 HydrophobicContact CE1-CE2 4.24Å; F930-F986 AromaticContact CE1-CG 3.66Å; F930-F986 HydrophobicContact CE1-CG 3.66Å; F930-F986 HydrophobicContact CE2-CD2 4.02Å; F930-F986 HydrophobicContact CE2-CE2 4.05Å; F930-F986 HydrophobicContact CZ-CB 4.28Å; F930-F986 AromaticContact CZ-CD2 3.17Å; F930-F986 HydrophobicContact CZ-CD2 3.17Å; F930-F986 AromaticContact CZ-CE2 3.59Å; F930-F986 HydrophobicContact CZ-CE2 3.59Å; F930-F986 AromaticContact CZ-CG 3.89Å; F930-F986 HydrophobicContact CZ-CG 3.89Å
931	R	88.3	Confident	88.1	Confident	9 Å²	9	64.5 Å²	64.5	3%	0.034	34%	0.343	C	S	.	.	H	α-helix	trans	-61	-50.4	179.1	-167.8	-164	87.2	106.9	12.8	111.1	F927 V929 A933 I934 T935 E965	F927-R931 HydrophobicContact CZ-CB 4.38Å; F927-R931 HydrophobicContact CZ-CG 4.44Å; F927-R931 WeakPolarHBondContact O-CB 3.2Å; F927-R931 PolarHBondContact O-N 3.35Å; V929-R931 PolarHBondContact O-N 3.22Å; R931-A933 VanDerWaalsContact C-N 3.31Å; R931-A933 PolarHBondContact O-N 2.7Å; R931-I934 PolarHBondContact O-N 3.25Å; R931-T935 WeakPolarHBondContact O-CB 3.45Å; R931-T935 PolarHBondContact O-N 3.46Å; R931-T935 PolarHBondContact O-OG1 2.99Å; R931-E965 IonicContact NH1-OE2 2.85Å
932	Q	89	Confident	88.1	Confident	6 Å²	6	64.3 Å²	64.3	3%	0.028	34%	0.344	C	S	.	.	H	α-helix	trans	-63.2	-38.9	-177.9	-164.2	66.7	13.9	0	0	111.6	G928 V929 I934 Y936 E939 L945 I949	G928-Q932 WeakPolarHBondContact O-CB 3.33Å; G928-Q932 PolarHBondContact O-N 3Å; V929-Q932 PolarHBondContact O-N 3.28Å; Q932-I934 PolarHBondContact O-N 3.42Å; Q932-Y936 PolarHBondContact O-N 3.19Å; Q932-E939 PolarHBondContact NE2-OE2 3.22Å; Q932-L945 HydrophobicContact CG-CD1 3.69Å; Q932-I949 HydrophobicContact CB-CG1 4.01Å; Q932-I949 HydrophobicContact CG-CG1 4.18Å
933	A	88.1	Confident	88.1	Confident	61 Å²	61	69.7 Å²	69.7	50%	0.504	35%	0.354	S	S	.	.	H	α-helix	trans	-64.9	-34.6	178.6	0	0	0	0	0	113.6	V929 F930 R931	V929-A933 VanDerWaalsContact O-CB 3.25Å; V929-A933 WeakPolarHBondContact O-CB 3.48Å; V929-A933 PolarHBondContact O-N 3.06Å; F930-A933 PolarHBondContact O-N 2.7Å; R931-A933 VanDerWaalsContact C-N 3.31Å; R931-A933 PolarHBondContact O-N 2.7Å
934	I	86.2	Confident	88	Confident	29 Å²	29	71.5 Å²	71.5	15%	0.149	36%	0.362	C	S	.	.	H	α-helix	trans	-83.6	-42.8	178	-66	179.7	0	0	0	111.5	F930 R931 Q932 V977 L982	F930-I934 HydrophobicContact CD1-CD1 4.37Å; F930-I934 HydrophobicContact CD2-CD1 4.17Å; F930-I934 HydrophobicContact CE1-CD1 3.68Å; F930-I934 HydrophobicContact CE2-CD1 3.47Å; F930-I934 VanDerWaalsContact CE2-CD1 3.47Å; F930-I934 HydrophobicContact CE2-CG1 4.49Å; F930-I934 HydrophobicContact CZ-CD1 3.19Å; F930-I934 HydrophobicContact CZ-CG1 4.47Å; F930-I934 PolarHBondContact O-N 3.45Å; R931-I934 PolarHBondContact O-N 3.25Å; Q932-I934 PolarHBondContact O-N 3.42Å; I934-V977 WeakPolarHBondContact O-CG1 3.42Å; I934-L982 HydrophobicContact CD1-CB 4.26Å
935	T	81	Confident	87.9	Confident	19 Å²	19	73 Å²	73	12%	0.117	37%	0.369	C	S	.	.	H	α-helix	trans	-70.7	-36.7	-175.6	-53.1	0	0	0	0	112.3	R931 T968	R931-T935 WeakPolarHBondContact O-CB 3.45Å; R931-T935 PolarHBondContact O-N 3.46Å; R931-T935 PolarHBondContact O-OG1 2.99Å; T935-T968 HydrophobicContact CG2-CG2 3.84Å
936	Y	84.7	Confident	87.7	Confident	106 Å²	106	72.9 Å²	72.9	42%	0.416	37%	0.371	S	S	.	.			trans	-130.5	77.9	-176.4	-57.5	-78.2	0	0	0	110.9	Q932 N938	Q932-Y936 PolarHBondContact O-N 3.19Å; Y936-N938 PolarHBondContact O-N 2.81Å; Y936-N938 VanDerWaalsContact O-N 3.1Å
937	P	80.7	Confident	87.7	Confident	75 Å²	75	74.8 Å²	74.8	49%	0.487	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-14.3	-169.8	23.6	-33.7	0	0	0	115.6	V977	P937-V977 HydrophobicContact CG-CG1 4.07Å; P937-V977 HydrophobicContact CG-CG2 4.28Å
938	N	82.7	Confident	87.5	Confident	163 Å²	163	75.5 Å²	75.5	87%	0.872	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.1	36.3	-172.5	-66.4	-38	0	0	0	113.7	Y936	Y936-N938 PolarHBondContact O-N 2.81Å; Y936-N938 VanDerWaalsContact O-N 3.1Å
939	E	84.1	Confident	87.5	Confident	78 Å²	78	76.9 Å²	76.9	36%	0.364	38%	0.377	S	S	.	.			trans	-79.6	138.6	179.4	-159.9	172.7	-167.4	0	0	112.1	Q932 L945	Q932-E939 PolarHBondContact NE2-OE2 3.22Å; E939-L945 VanDerWaalsContact OE2-CD1 3.31Å; E939-L945 WeakPolarHBondContact OE2-CD1 3.43Å
940	S	87.8	Confident	87.5	Confident	82 Å²	82	76 Å²	76	57%	0.573	37%	0.372	S	S	*	.			trans	-76.7	158.1	177.4	48.5	0	0	0	0	112.7	E942	S940-E942 PolarHBondContact O-N 2.8Å; S940-E942 VanDerWaalsContact O-N 3.08Å
941	W	88.3	Confident	87.4	Confident	179 Å²	179	78.8 Å²	78.8	68%	0.678	38%	0.381	S	S	*	.			trans	-65.7	107.8	175.6	165.7	-104.8	0	0	0	111.6	L945 V946	W941-L945 HydrophobicContact CE3-CD2 4.5Å; W941-V946 HydrophobicContact CH2-CG2 3.99Å; W941-V946 HydrophobicContact CZ3-CG2 3.78Å
942	E	88.1	Confident	87.4	Confident	108 Å²	108	79.7 Å²	79.7	51%	0.505	39%	0.386	S	S	.	.			trans	-139.5	157.4	167.9	-65.1	-169.5	176	0	0	110.1	S940 E944 L945	S940-E942 PolarHBondContact O-N 2.8Å; S940-E942 VanDerWaalsContact O-N 3.08Å; E942-E944 HydrophobicContact CB-CB 4.48Å; E942-E944 PolarHBondContact O-N 3.46Å; E942-L945 VanDerWaalsContact O-CB 3.25Å; E942-L945 WeakPolarHBondContact O-CB 3.08Å; E942-L945 PolarHBondContact O-N 3.12Å
943	W	89	Confident	87.5	Confident	203 Å²	203	79.4 Å²	79.4	77%	0.769	38%	0.384	S	S	*	.	H	α-helix	trans	-58.3	-21.9	175.2	-76.5	108.4	0	0	0	113.1	L945 V946 R947	W943-L945 VanDerWaalsContact C-N 3.28Å; W943-L945 PolarHBondContact O-N 3.01Å; W943-V946 PolarHBondContact O-N 3.41Å; W943-R947 PolarHBondContact O-N 2.88Å; W943-R947 VanDerWaalsContact O-N 3.07Å
944	E	87	Confident	87.6	Confident	88 Å²	88	81.2 Å²	81.2	41%	0.411	38%	0.379	S	S	.	.	H	α-helix	trans	-62.6	-34.1	173.5	-55.8	-141.3	130.2	0	0	112.5	E942 R947 N948	E942-E944 HydrophobicContact CB-CB 4.48Å; E942-E944 PolarHBondContact O-N 3.46Å; E944-R947 WeakPolarHBondContact O-CB 3.24Å; E944-R947 PolarHBondContact O-N 3.37Å; E944-R947 IonicContact OE1-CZ 3.14Å; E944-R947 IonicContact OE1-NH1 2.95Å; E944-R947 PolarHBondContact OE1-NH1 3.07Å; E944-R947 VanDerWaalsContact OE1-NH1 3.08Å; E944-R947 IonicContact OE1-NH2 2.64Å; E944-R947 PolarHBondContact OE1-NH2 3.31Å; E944-R947 IonicContact OE2-NH2 3.69Å; E944-R947 PolarHBondContact OE2-NH2 3.12Å; E944-N948 VanDerWaalsContact O-CB 3.32Å; E944-N948 WeakPolarHBondContact O-CB 3.44Å; E944-N948 PolarHBondContact O-N 2.95Å; E944-N948 PolarHBondContact O-ND2 3.28Å; E944-N948 PolarHBondContact O-OD1 2.99Å
945	L	89.2	Confident	87.7	Confident	39 Å²	39	83 Å²	83	20%	0.204	39%	0.386	C	S	.	.	H	α-helix	trans	-60.6	-48.9	175.8	-179.3	69	0	0	0	110.9	Q932 E939 W941 E942 W943 R947 N948 I949	Q932-L945 HydrophobicContact CG-CD1 3.69Å; E939-L945 VanDerWaalsContact OE2-CD1 3.31Å; E939-L945 WeakPolarHBondContact OE2-CD1 3.43Å; W941-L945 HydrophobicContact CE3-CD2 4.5Å; E942-L945 VanDerWaalsContact O-CB 3.25Å; E942-L945 WeakPolarHBondContact O-CB 3.08Å; E942-L945 PolarHBondContact O-N 3.12Å; W943-L945 VanDerWaalsContact C-N 3.28Å; W943-L945 PolarHBondContact O-N 3.01Å; L945-R947 VanDerWaalsContact C-N 3.33Å; L945-R947 PolarHBondContact O-N 3.37Å; L945-N948 PolarHBondContact O-N 3.44Å; L945-I949 HydrophobicContact CG-CD1 4.21Å; L945-I949 VanDerWaalsContact O-CG1 3.3Å; L945-I949 WeakPolarHBondContact O-CG1 3.39Å; L945-I949 PolarHBondContact O-N 2.82Å
946	V	89.3	Confident	88.1	Confident	58 Å²	58	82.4 Å²	82.4	35%	0.352	38%	0.381	S	S	.	.	H	α-helix	trans	-64	-40.9	178.3	-178.9	0	0	0	0	110.8	W941 W943 V950	W941-V946 HydrophobicContact CH2-CG2 3.99Å; W941-V946 HydrophobicContact CZ3-CG2 3.78Å; W943-V946 PolarHBondContact O-N 3.41Å; V946-V950 PolarHBondContact O-N 2.92Å
947	R	91.4	Very high	88.2	Confident	124 Å²	124	79.4 Å²	79.4	47%	0.468	37%	0.373	S	S	.	.	H	α-helix	trans	-58.1	-48.2	172.8	-179.1	-172.7	69	-160.7	-4.1	110.5	W943 E944 L945 I949 V950 Y951	W943-R947 PolarHBondContact O-N 2.88Å; W943-R947 VanDerWaalsContact O-N 3.07Å; E944-R947 WeakPolarHBondContact O-CB 3.24Å; E944-R947 PolarHBondContact O-N 3.37Å; E944-R947 IonicContact OE1-CZ 3.14Å; E944-R947 IonicContact OE1-NH1 2.95Å; E944-R947 PolarHBondContact OE1-NH1 3.07Å; E944-R947 VanDerWaalsContact OE1-NH1 3.08Å; E944-R947 IonicContact OE1-NH2 2.64Å; E944-R947 PolarHBondContact OE1-NH2 3.31Å; E944-R947 IonicContact OE2-NH2 3.69Å; E944-R947 PolarHBondContact OE2-NH2 3.12Å; L945-R947 VanDerWaalsContact C-N 3.33Å; L945-R947 PolarHBondContact O-N 3.37Å; R947-I949 PolarHBondContact O-N 3.38Å; R947-V950 PolarHBondContact O-N 3.48Å; R947-Y951 WeakPolarHBondContact O-CB 3.25Å; R947-Y951 PolarHBondContact O-N 3.19Å
948	N	87.4	Confident	88.4	Confident	27 Å²	27	83 Å²	83	14%	0.144	38%	0.377	C	S	.	.	H	α-helix	trans	-67.3	-34.2	-175.4	-69.2	-15.5	0	0	0	112.9	E944 L945 V950	E944-N948 VanDerWaalsContact O-CB 3.32Å; E944-N948 WeakPolarHBondContact O-CB 3.44Å; E944-N948 PolarHBondContact O-N 2.95Å; E944-N948 PolarHBondContact O-ND2 3.28Å; E944-N948 PolarHBondContact O-OD1 2.99Å; L945-N948 PolarHBondContact O-N 3.44Å; N948-V950 VanDerWaalsContact C-N 3.32Å; N948-V950 PolarHBondContact O-N 3.45Å
949	I	91.4	Very high	88.5	Confident	30 Å²	30	77.8 Å²	77.8	15%	0.154	36%	0.362	C	S	.	.	H	α-helix	trans	-60.3	-40.7	173.9	-72	164.2	0	0	0	111.4	G928 V929 Q932 L945 R947 P953	G928-I949 VanDerWaalsContact CA-O 3.3Å; G928-I949 WeakPolarHBondContact CA-O 3.41Å; V929-I949 HydrophobicContact CG2-CD1 4.41Å; V929-I949 HydrophobicContact CG2-CG2 3.8Å; Q932-I949 HydrophobicContact CB-CG1 4.01Å; Q932-I949 HydrophobicContact CG-CG1 4.18Å; L945-I949 HydrophobicContact CG-CD1 4.21Å; L945-I949 VanDerWaalsContact O-CG1 3.3Å; L945-I949 WeakPolarHBondContact O-CG1 3.39Å; L945-I949 PolarHBondContact O-N 2.82Å; R947-I949 PolarHBondContact O-N 3.38Å; I949-P953 WeakPolarHBondContact O-CD 3.4Å; I949-P953 VanDerWaalsContact O-CG 3.29Å; I949-P953 WeakPolarHBondContact O-CG 3.32Å
950	V	91.8	Very high	88.6	Confident	53 Å²	53	79.9 Å²	79.9	32%	0.321	37%	0.372	S	S	.	.	H	α-helix	trans	-94.7	-40.6	-173.7	179.7	0	0	0	0	112.1	L924 V946 R947 N948 Y954	L924-V950 HydrophobicContact CD2-CB 4.32Å; L924-V950 HydrophobicContact CD2-CG1 3.92Å; V946-V950 PolarHBondContact O-N 2.92Å; R947-V950 PolarHBondContact O-N 3.48Å; N948-V950 VanDerWaalsContact C-N 3.32Å; N948-V950 PolarHBondContact O-N 3.45Å; V950-Y954 WeakPolarHBondContact O-CB 3.3Å; V950-Y954 PolarHBondContact O-N 3.05Å; V950-Y954 VanDerWaalsContact O-N 3.09Å
951	Y	90.8	Very high	88.4	Confident	117 Å²	117	79 Å²	79	46%	0.459	36%	0.363	S	S	.	.	H	α-helix	trans	-64.7	-54.8	-166.7	-176.5	-91.8	0	0	0	112.8	R947 Y954 F955	R947-Y951 WeakPolarHBondContact O-CB 3.25Å; R947-Y951 PolarHBondContact O-N 3.19Å; Y951-Y954 WeakPolarHBondContact O-CB 3.44Å; Y951-Y954 PolarHBondContact O-N 3.37Å; Y951-F955 HydrophobicContact CD1-CD2 4.17Å; Y951-F955 HydrophobicContact CD1-CE2 4.4Å; Y951-F955 HydrophobicContact CD2-CD2 4.31Å; Y951-F955 AromaticContact CD2-CE2 3.84Å; Y951-F955 HydrophobicContact CD2-CE2 3.84Å; Y951-F955 AromaticContact CE1-CD2 3.93Å; Y951-F955 HydrophobicContact CE1-CD2 3.93Å; Y951-F955 AromaticContact CE1-CE2 3.99Å; Y951-F955 HydrophobicContact CE1-CE2 3.99Å; Y951-F955 HydrophobicContact CE2-CD2 4.11Å; Y951-F955 AromaticContact CE2-CE2 3.39Å; Y951-F955 HydrophobicContact CE2-CE2 3.39Å; Y951-F955 HydrophobicContact CE2-CZ 4.29Å; Y951-F955 HydrophobicContact CG-CD2 4.34Å; Y951-F955 HydrophobicContact CG-CE2 4.32Å; Y951-F955 AromaticContact CZ-CD2 3.88Å; Y951-F955 AromaticContact CZ-CE2 3.45Å; Y951-F955 VanDerWaalsContact CZ-CE2 3.45Å; Y951-F955 VanDerWaalsContact O-CD2 3.3Å; Y951-F955 WeakPolarHBondContact O-CD2 3.44Å; Y951-F955 PolarHBondContact O-N 2.69Å
952	K	88.3	Confident	88.2	Confident	29 Å²	29	73.5 Å²	73.5	13%	0.126	34%	0.342	C	S	.	.	H	α-helix	trans	-67.2	-47.7	-176.4	-55.3	-157.9	-156.9	-177.3	0	112.2	Y954 F955 M956 Y962 E965	K952-Y954 PolarHBondContact O-N 3.2Å; K952-F955 PolarHBondContact O-N 3.39Å; K952-F955 VanDerWaalsContact O-N 3.17Å; K952-M956 WeakPolarHBondContact O-CG 3.32Å; K952-M956 PolarHBondContact O-N 3.4Å; K952-Y962 HydrophobicContact CB-CD2 4.19Å; K952-Y962 HydrophobicContact CB-CE2 3.68Å; K952-Y962 HydrophobicContact CD-CD2 4.37Å; K952-Y962 HydrophobicContact CD-CE2 4.27Å; K952-Y962 HydrophobicContact CG-CE2 4.07Å; K952-E965 WeakPolarHBondContact CD-OE2 3.48Å; K952-E965 IonicContact NZ-OE1 3.17Å; K952-E965 PolarHBondContact NZ-OE1 3.39Å; K952-E965 IonicContact NZ-OE2 3.07Å; K952-E965 PolarHBondContact NZ-OE2 3.29Å
953	P	89.6	Confident	87.5	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-58.1	-32	174.9	-30.8	40.6	0	0	0	114.7	L924 F927 I949 L957 Y990	L924-P953 HydrophobicContact CD2-CB 4.21Å; L924-P953 HydrophobicContact CG-CB 4Å; F927-P953 HydrophobicContact CD1-CB 4Å; F927-P953 HydrophobicContact CD1-CG 4.09Å; F927-P953 HydrophobicContact CE1-CB 4.43Å; F927-P953 HydrophobicContact CE1-CG 4.34Å; I949-P953 WeakPolarHBondContact O-CD 3.4Å; I949-P953 VanDerWaalsContact O-CG 3.29Å; I949-P953 WeakPolarHBondContact O-CG 3.32Å; P953-L957 PolarHBondContact O-N 3.34Å; P953-Y990 PolarHBondContact O-OH 3.47Å
954	Y	90.6	Very high	86.9	Confident	98 Å²	98	66 Å²	66	38%	0.384	35%	0.351	S	S	.	.	H	α-helix	trans	-64.6	-48.1	174.9	179.2	-102.3	0	0	0	112.1	L924 V950 Y951 K952 M956 L957 Y958	L924-Y954 HydrophobicContact CD1-CD2 3.98Å; L924-Y954 HydrophobicContact CD1-CG 4.48Å; V950-Y954 WeakPolarHBondContact O-CB 3.3Å; V950-Y954 PolarHBondContact O-N 3.05Å; V950-Y954 VanDerWaalsContact O-N 3.09Å; Y951-Y954 WeakPolarHBondContact O-CB 3.44Å; Y951-Y954 PolarHBondContact O-N 3.37Å; K952-Y954 PolarHBondContact O-N 3.2Å; Y954-M956 VanDerWaalsContact C-N 3.33Å; Y954-L957 WeakPolarHBondContact O-CB 3.01Å; Y954-L957 PolarHBondContact O-N 2.86Å; Y954-Y958 HydrophobicContact CD1-CE2 4.25Å; Y954-Y958 HydrophobicContact CE1-CD2 4.45Å; Y954-Y958 AromaticContact CE1-CE2 3.64Å; Y954-Y958 HydrophobicContact CE1-CE2 3.64Å; Y954-Y958 HydrophobicContact CE2-CE2 4.1Å; Y954-Y958 AromaticContact CZ-CE2 3.55Å; Y954-Y958 WeakPolarHBondContact O-CD2 3.34Å; Y954-Y958 PolarHBondContact OH-OH 3.21Å
955	F	89.6	Confident	86.3	Confident	68 Å²	68	65.1 Å²	65.1	30%	0.298	35%	0.346	S	S	.	.	H	α-helix	trans	-69.4	-31.8	178.1	-79.2	-75.1	0	0	0	112.7	Y951 K952 L957 Y958 E960 Y962	Y951-F955 HydrophobicContact CD1-CD2 4.17Å; Y951-F955 HydrophobicContact CD1-CE2 4.4Å; Y951-F955 HydrophobicContact CD2-CD2 4.31Å; Y951-F955 AromaticContact CD2-CE2 3.84Å; Y951-F955 HydrophobicContact CD2-CE2 3.84Å; Y951-F955 AromaticContact CE1-CD2 3.93Å; Y951-F955 HydrophobicContact CE1-CD2 3.93Å; Y951-F955 AromaticContact CE1-CE2 3.99Å; Y951-F955 HydrophobicContact CE1-CE2 3.99Å; Y951-F955 HydrophobicContact CE2-CD2 4.11Å; Y951-F955 AromaticContact CE2-CE2 3.39Å; Y951-F955 HydrophobicContact CE2-CE2 3.39Å; Y951-F955 HydrophobicContact CE2-CZ 4.29Å; Y951-F955 HydrophobicContact CG-CD2 4.34Å; Y951-F955 HydrophobicContact CG-CE2 4.32Å; Y951-F955 AromaticContact CZ-CD2 3.88Å; Y951-F955 AromaticContact CZ-CE2 3.45Å; Y951-F955 VanDerWaalsContact CZ-CE2 3.45Å; Y951-F955 VanDerWaalsContact O-CD2 3.3Å; Y951-F955 WeakPolarHBondContact O-CD2 3.44Å; Y951-F955 PolarHBondContact O-N 2.69Å; K952-F955 PolarHBondContact O-N 3.39Å; K952-F955 VanDerWaalsContact O-N 3.17Å; F955-L957 PolarHBondContact O-N 3.1Å; F955-Y958 PolarHBondContact O-N 2.67Å; F955-E960 HydrophobicContact CB-CB 4.13Å; F955-E960 PolarHBondContact O-N 2.98Å; F955-Y962 HydrophobicContact CB-CE2 4.33Å
956	M	88.3	Confident	85.6	Confident	5 Å²	5	65.4 Å²	65.4	3%	0.025	35%	0.348	C	S	.	.	H	α-helix	trans	-57.4	-32.4	172.2	-72.3	175.8	174	0	0	112.7	F927 K952 Y954 Y958 G959 E960 Y962 M987 Y990 L991	F927-M956 HydrophobicContact CE1-SD 3.78Å; F927-M956 HydrophobicContact CZ-SD 4.35Å; K952-M956 WeakPolarHBondContact O-CG 3.32Å; K952-M956 PolarHBondContact O-N 3.4Å; Y954-M956 VanDerWaalsContact C-N 3.33Å; M956-Y958 PolarHBondContact O-N 3.23Å; M956-G959 PolarHBondContact O-N 2.98Å; M956-E960 WeakPolarHBondContact CA-O 3.49Å; M956-E960 WeakPolarHBondContact CG-O 3.48Å; M956-Y962 HydrophobicContact CE-CD2 3.79Å; M956-Y962 HydrophobicContact CG-CD2 4.17Å; M956-Y962 HydrophobicContact CG-CE2 4.34Å; M956-M987 HydrophobicContact CE-CE 3.63Å; M956-M987 HydrophobicContact CE-SD 4.13Å; M956-M987 HydrophobicContact CG-CE 4.06Å; M956-M987 HydrophobicContact SD-CE 3.73Å; M956-M987 HydrophobicContact SD-SD 4.45Å; M956-Y990 HydrophobicContact CB-CE1 4.32Å; M956-L991 HydrophobicContact CB-CD2 4.41Å; M956-L991 VanDerWaalsContact O-CD2 3.28Å; M956-L991 WeakPolarHBondContact O-CD2 3.31Å
957	L	86.2	Confident	84.8	Confident	44 Å²	44	67.8 Å²	67.8	23%	0.23	36%	0.358	C	S	.	.	H	α-helix	trans	-58.7	-33.8	175.3	-172.7	78.9	0	0	0	112.7	L920 P953 Y954 F955 G959	L920-L957 HydrophobicContact CD1-CD1 3.76Å; L920-L957 HydrophobicContact CD2-CD1 4.18Å; L920-L957 HydrophobicContact CD2-CD2 3.65Å; L920-L957 HydrophobicContact CG-CD1 4.43Å; P953-L957 PolarHBondContact O-N 3.34Å; Y954-L957 WeakPolarHBondContact O-CB 3.01Å; Y954-L957 PolarHBondContact O-N 2.86Å; F955-L957 PolarHBondContact O-N 3.1Å; L957-G959 VanDerWaalsContact C-N 3.29Å
958	Y	85.6	Confident	83.6	Confident	150 Å²	150	63.6 Å²	63.6	59%	0.588	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-1.5	179.2	-65.7	-79.3	0	0	0	113.3	Y954 F955 M956	Y954-Y958 HydrophobicContact CD1-CE2 4.25Å; Y954-Y958 HydrophobicContact CE1-CD2 4.45Å; Y954-Y958 AromaticContact CE1-CE2 3.64Å; Y954-Y958 HydrophobicContact CE1-CE2 3.64Å; Y954-Y958 HydrophobicContact CE2-CE2 4.1Å; Y954-Y958 AromaticContact CZ-CE2 3.55Å; Y954-Y958 WeakPolarHBondContact O-CD2 3.34Å; Y954-Y958 PolarHBondContact OH-OH 3.21Å; F955-Y958 PolarHBondContact O-N 2.67Å; M956-Y958 PolarHBondContact O-N 3.23Å
959	G	84.1	Confident	82.7	Confident	53 Å²	53	63.5 Å²	63.5	55%	0.546	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	99.5	3	-179.6	0	0	0	0	0	115	M956 L957 V961	M956-G959 PolarHBondContact O-N 2.98Å; L957-G959 VanDerWaalsContact C-N 3.29Å; G959-V961 VanDerWaalsContact C-N 3.3Å; G959-V961 PolarHBondContact O-N 3.18Å
960	E	87.9	Confident	81.5	Confident	122 Å²	122	63.6 Å²	63.6	57%	0.57	36%	0.356	S	S	*	.			trans	-75.3	84.8	172.8	-68.5	-67.9	168.1	0	0	109.9	F955 M956 Y962	F955-E960 HydrophobicContact CB-CB 4.13Å; F955-E960 PolarHBondContact O-N 2.98Å; M956-E960 WeakPolarHBondContact CA-O 3.49Å; M956-E960 WeakPolarHBondContact CG-O 3.48Å; E960-Y962 PolarHBondContact O-N 3.02Å
961	V	82.9	Confident	80	Confident	65 Å²	65	69.5 Å²	69.5	39%	0.394	39%	0.386	S	S	.	.			trans	-84.7	104	175.9	171.4	0	0	0	0	107.1	G959 A963 I966 M987 L991	G959-V961 VanDerWaalsContact C-N 3.3Å; G959-V961 PolarHBondContact O-N 3.18Å; V961-A963 PolarHBondContact O-N 3.49Å; V961-I966 HydrophobicContact CG1-CD1 3.51Å; V961-M987 HydrophobicContact CB-CE 4.02Å; V961-M987 HydrophobicContact CG1-CE 3.58Å; V961-M987 HydrophobicContact CG2-CE 3.88Å; V961-L991 HydrophobicContact CG2-CD1 4.28Å
962	Y	82.9	Confident	78.8	Confident	62 Å²	62	71.4 Å²	71.4	24%	0.243	40%	0.404	C	S	.	.			trans	-64.2	71.2	179.4	-64.2	-86.3	0	0	0	111.7	K952 F955 M956 E960 G964 E965 I966	K952-Y962 HydrophobicContact CB-CD2 4.19Å; K952-Y962 HydrophobicContact CB-CE2 3.68Å; K952-Y962 HydrophobicContact CD-CD2 4.37Å; K952-Y962 HydrophobicContact CD-CE2 4.27Å; K952-Y962 HydrophobicContact CG-CE2 4.07Å; F955-Y962 HydrophobicContact CB-CE2 4.33Å; M956-Y962 HydrophobicContact CE-CD2 3.79Å; M956-Y962 HydrophobicContact CG-CD2 4.17Å; M956-Y962 HydrophobicContact CG-CE2 4.34Å; E960-Y962 PolarHBondContact O-N 3.02Å; Y962-G964 VanDerWaalsContact C-N 3.26Å; Y962-G964 PolarHBondContact O-N 3.34Å; Y962-G964 VanDerWaalsContact O-N 3.16Å; Y962-E965 PolarHBondContact O-N 3.41Å; Y962-I966 WeakPolarHBondContact O-CG1 3.21Å
963	A	75.3	Confident	77.5	Confident	74 Å²	74	75 Å²	75	61%	0.612	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-56.4	-36.9	-167	0	0	0	0	0	113.6	V961 E965 I966	V961-A963 PolarHBondContact O-N 3.49Å; A963-E965 PolarHBondContact O-N 3.38Å; A963-I966 PolarHBondContact O-N 3.03Å
964	G	74.6	Confident	76.1	Confident	81 Å²	81	81.5 Å²	81.5	84%	0.835	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	-69.4	-12.8	177.5	0	0	0	0	0	115	Y962	Y962-G964 VanDerWaalsContact C-N 3.26Å; Y962-G964 PolarHBondContact O-N 3.34Å; Y962-G964 VanDerWaalsContact O-N 3.16Å
965	E	75.2	Confident	74.9	Confident	69 Å²	69	83.7 Å²	83.7	32%	0.322	48%	0.483	S	S	.	.	G	3₁₀ helix	trans	-109.3	0.2	179.9	-58.7	-177.3	-176.5	0	0	113.3	R931 K952 Y962 A963	R931-E965 IonicContact NH1-OE2 2.85Å; K952-E965 WeakPolarHBondContact CD-OE2 3.48Å; K952-E965 IonicContact NZ-OE1 3.17Å; K952-E965 PolarHBondContact NZ-OE1 3.39Å; K952-E965 IonicContact NZ-OE2 3.07Å; K952-E965 PolarHBondContact NZ-OE2 3.29Å; Y962-E965 PolarHBondContact O-N 3.41Å; A963-E965 PolarHBondContact O-N 3.38Å
966	I	74.6	Confident	74	Confident	45 Å²	45	82.7 Å²	82.7	23%	0.231	48%	0.484	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-45.9	-176.5	-61.3	177.3	0	0	0	110.3	V961 Y962 A963 T968 P984 M987	V961-I966 HydrophobicContact CG1-CD1 3.51Å; Y962-I966 WeakPolarHBondContact O-CG1 3.21Å; A963-I966 PolarHBondContact O-N 3.03Å; I966-T968 PolarHBondContact O-N 2.94Å; I966-P984 HydrophobicContact CG2-CB 3.94Å; I966-P984 HydrophobicContact CG2-CG 3.7Å; I966-M987 HydrophobicContact CD1-SD 4.27Å; I966-M987 HydrophobicContact CG1-SD 4.28Å
967	D	71.4	Confident	73.3	Confident	107 Å²	107	84.2 Å²	84.2	57%	0.572	49%	0.494	S	S	*	.			trans	-89.5	92.6	174.4	-113.2	-22	0	0	0	109	C969	D967-C969 PolarHBondContact O-N 3.38Å
968	T	66.9	Low	72.8	Confident	36 Å²	36	92 Å²	92	22%	0.221	52%	0.521	C	S	.	.	S	Bend	trans	-73.7	-2	176	57.5	0	0	0	0	112.8	T935 I966 Y980	T935-T968 HydrophobicContact CG2-CG2 3.84Å; I966-T968 PolarHBondContact O-N 2.94Å; T968-Y980 WeakPolarHBondContact OG1-CB 3.49Å
969	C	69.3	Low	72.6	Confident	25 Å²	25	91.1 Å²	91.1	17%	0.169	52%	0.521	C	S	.	.	S	Bend	trans	-139.8	81.5	179.9	-178.6	0	0	0	0	108.2	D967 C976 Y980	D967-C969 PolarHBondContact O-N 3.38Å; C969-C976 HydrophobicContact CB-CB 3.61Å; C969-C976 WeakPolarHBondContact CB-SG 3.31Å; C969-C976 WeakPolarHBondContact SG-CB 3.1Å; C969-C976 CovalentContact SG-SG 2Å; C969-C976 PolarHBondContact SG-SG 3.05Å; C969-Y980 HydrophobicContact CB-CD1 4.25Å; C969-Y980 HydrophobicContact CB-CD2 4.03Å; C969-Y980 HydrophobicContact CB-CE1 4.35Å; C969-Y980 HydrophobicContact CB-CE2 4.13Å; C969-Y980 HydrophobicContact CB-CG 4.1Å
970	G	64.7	Low	72.3	Confident	32 Å²	32	92.8 Å²	92.8	33%	0.33	51%	0.511	S	S	.	.			trans	-73.6	168	170.2	0	0	0	0	0	111.3	N972 D973	G970-N972 PolarHBondContact O-N 3.1Å; G970-D973 PolarHBondContact O-N 2.94Å; G970-D973 VanDerWaalsContact O-N 3.14Å
971	D	62.1	Low	72.1	Confident	178 Å²	178	93.5 Å²	93.5	95%	0.952	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-13.1	-178.2	-68.9	-28.1	0	0	0	115.1
972	N	63.8	Low	72.3	Confident	157 Å²	157	92.2 Å²	92.2	84%	0.84	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.7	-3.6	-174.3	-65.3	-31.2	0	0	0	115.2	G970	G970-N972 PolarHBondContact O-N 3.1Å
973	D	61.9	Low	72.3	Confident	105 Å²	105	89.7 Å²	89.7	56%	0.561	49%	0.491	S	S	*	.			trans	-98.3	123.9	-173.6	-78.5	-34.2	0	0	0	112.9	G970 N975 C976	G970-D973 PolarHBondContact O-N 2.94Å; G970-D973 VanDerWaalsContact O-N 3.14Å; D973-N975 VanDerWaalsContact C-N 3.33Å; D973-C976 PolarHBondContact O-SG 3.39Å
974	T	59.4	Low	72.8	Confident	136 Å²	136	87.8 Å²	87.8	83%	0.834	47%	0.472	S	S	*	.	S	Bend	trans	-80.8	-11.2	178.4	55.4	0	0	0	0	113.7
975	N	65.5	Low	73.5	Confident	143 Å²	143	87.5 Å²	87.5	77%	0.765	45%	0.451	S	S	*	.			trans	-109.9	52.6	-172.3	-70	-8.7	0	0	0	112	D973	D973-N975 VanDerWaalsContact C-N 3.33Å
976	C	71.2	Confident	74.2	Confident	48 Å²	48	88.1 Å²	88.1	32%	0.324	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-76	130.8	178.5	-59.5	0	0	0	0	111.6	C969 D973	C969-C976 HydrophobicContact CB-CB 3.61Å; C969-C976 WeakPolarHBondContact CB-SG 3.31Å; C969-C976 WeakPolarHBondContact SG-CB 3.1Å; C969-C976 CovalentContact SG-SG 2Å; C969-C976 PolarHBondContact SG-SG 3.05Å; D973-C976 PolarHBondContact O-SG 3.39Å
977	V	74.4	Confident	74.9	Confident	37 Å²	37	86.6 Å²	86.6	22%	0.224	45%	0.445	C	S	.	.	P	Polyproline II helix	trans	-74.2	140.9	174.6	-169.4	0	0	0	0	109.6	I934 P937 F979 Y980	I934-V977 WeakPolarHBondContact O-CG1 3.42Å; P937-V977 HydrophobicContact CG-CG1 4.07Å; P937-V977 HydrophobicContact CG-CG2 4.28Å; V977-F979 PolarHBondContact O-N 3.29Å; V977-Y980 PolarHBondContact O-N 3.3Å
978	Y	75.6	Confident	75.7	Confident	207 Å²	207	85.9 Å²	85.9	81%	0.812	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	140.8	171.1	-68.5	-80.4	0	0	0	110.3	Y980	Y978-Y980 VanDerWaalsContact C-N 3.29Å; Y978-Y980 PolarHBondContact O-N 3.07Å
979	F	80.5	Confident	76.8	Confident	132 Å²	132	86.9 Å²	86.9	58%	0.579	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.3	24.2	176	-66.7	-70.4	0	0	0	115.7	V977 W981 L982	V977-F979 PolarHBondContact O-N 3.29Å; F979-W981 HydrophobicContact CD1-CZ2 4.35Å; F979-W981 AromaticContact CD1-NE1 3.84Å; F979-W981 PolarHBondContact O-N 3.23Å; F979-W981 VanDerWaalsContact O-N 3.09Å; F979-L982 HydrophobicContact CB-CD1 3.5Å; F979-L982 HydrophobicContact CD1-CD1 3.51Å; F979-L982 HydrophobicContact CG-CD1 3.82Å; F979-L982 WeakPolarHBondContact O-CB 3.44Å; F979-L982 PolarHBondContact O-N 2.89Å
980	Y	78	Confident	77.9	Confident	87 Å²	87	86.2 Å²	86.2	34%	0.341	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-35.6	180	71.2	-86.5	0	0	0	114.5	T968 C969 V977 Y978 L982 S983 P984	T968-Y980 WeakPolarHBondContact OG1-CB 3.49Å; C969-Y980 HydrophobicContact CB-CD1 4.25Å; C969-Y980 HydrophobicContact CB-CD2 4.03Å; C969-Y980 HydrophobicContact CB-CE1 4.35Å; C969-Y980 HydrophobicContact CB-CE2 4.13Å; C969-Y980 HydrophobicContact CB-CG 4.1Å; V977-Y980 PolarHBondContact O-N 3.3Å; Y978-Y980 VanDerWaalsContact C-N 3.29Å; Y978-Y980 PolarHBondContact O-N 3.07Å; Y980-L982 PolarHBondContact O-N 3.45Å; Y980-L982 VanDerWaalsContact O-N 3.11Å; Y980-S983 PolarHBondContact O-N 3.23Å; Y980-S983 VanDerWaalsContact O-N 3.15Å; Y980-P984 WeakPolarHBondContact O-CD 3.29Å
981	W	83.6	Confident	79.1	Confident	138 Å²	138	86.4 Å²	86.4	52%	0.523	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-18.9	177.8	66.7	-92	0	0	0	114.7	F979 P984 L985	F979-W981 HydrophobicContact CD1-CZ2 4.35Å; F979-W981 AromaticContact CD1-NE1 3.84Å; F979-W981 PolarHBondContact O-N 3.23Å; F979-W981 VanDerWaalsContact O-N 3.09Å; W981-P984 WeakPolarHBondContact O-CD 2.92Å; W981-L985 HydrophobicContact CE3-CD1 4.31Å; W981-L985 HydrophobicContact CZ3-CD1 3.79Å; W981-L985 PolarHBondContact O-N 3.38Å
982	L	87.9	Confident	80.4	Confident	37 Å²	37	83.1 Å²	83.1	19%	0.194	42%	0.42	C	S	.	.	H	α-helix	trans	-71.7	-29.8	176.8	-87.6	128.6	0	0	0	113	F930 I934 F979 Y980 L985 F986	F930-L982 HydrophobicContact CZ-CB 4.15Å; F930-L982 HydrophobicContact CZ-CD2 4.47Å; I934-L982 HydrophobicContact CD1-CB 4.26Å; F979-L982 HydrophobicContact CB-CD1 3.5Å; F979-L982 HydrophobicContact CD1-CD1 3.51Å; F979-L982 HydrophobicContact CG-CD1 3.82Å; F979-L982 WeakPolarHBondContact O-CB 3.44Å; F979-L982 PolarHBondContact O-N 2.89Å; Y980-L982 PolarHBondContact O-N 3.45Å; Y980-L982 VanDerWaalsContact O-N 3.11Å; L982-L985 PolarHBondContact O-N 3.22Å; L982-F986 HydrophobicContact CD2-CD2 3.97Å; L982-F986 HydrophobicContact CD2-CE2 3.51Å; L982-F986 WeakPolarHBondContact O-CD2 3.38Å; L982-F986 PolarHBondContact O-N 3.28Å
983	S	82.9	Confident	81.7	Confident	9 Å²	9	79.5 Å²	79.5	6%	0.063	40%	0.4	C	S	.	.	H	α-helix	trans	-63.3	-51.8	179.3	173.2	0	0	0	0	111.7	Y980 L985 F986 M987	Y980-S983 PolarHBondContact O-N 3.23Å; Y980-S983 VanDerWaalsContact O-N 3.15Å; S983-L985 VanDerWaalsContact C-N 3.33Å; S983-L985 PolarHBondContact O-N 2.8Å; S983-F986 PolarHBondContact O-N 2.77Å; S983-M987 VanDerWaalsContact O-CB 3.3Å; S983-M987 WeakPolarHBondContact O-CB 3.48Å; S983-M987 PolarHBondContact O-N 2.75Å
984	P	85.5	Confident	82.8	Confident	35 Å²	35	74.6 Å²	74.6	23%	0.227	37%	0.374	C	S	.	.	H	α-helix	trans	-57.8	-40.3	172.4	-23.5	31.4	0	0	0	113.6	I966 Y980 W981 M987 T988	I966-P984 HydrophobicContact CG2-CB 3.94Å; I966-P984 HydrophobicContact CG2-CG 3.7Å; Y980-P984 WeakPolarHBondContact O-CD 3.29Å; W981-P984 WeakPolarHBondContact O-CD 2.92Å; P984-M987 WeakPolarHBondContact O-CB 3.4Å; P984-M987 PolarHBondContact O-N 2.81Å; P984-T988 WeakPolarHBondContact O-CG2 3.45Å; P984-T988 PolarHBondContact O-N 3.27Å; P984-T988 VanDerWaalsContact O-N 3.09Å
985	L	88.3	Confident	84.1	Confident	74 Å²	74	72.9 Å²	72.9	39%	0.387	36%	0.359	S	S	.	.	H	α-helix	trans	-60.7	-54.5	178.7	-175.9	156.8	0	0	0	111.1	W981 L982 S983 M987 T988 V989	W981-L985 HydrophobicContact CE3-CD1 4.31Å; W981-L985 HydrophobicContact CZ3-CD1 3.79Å; W981-L985 PolarHBondContact O-N 3.38Å; L982-L985 PolarHBondContact O-N 3.22Å; S983-L985 VanDerWaalsContact C-N 3.33Å; S983-L985 PolarHBondContact O-N 2.8Å; L985-M987 VanDerWaalsContact C-N 3.25Å; L985-M987 PolarHBondContact O-N 3.36Å; L985-T988 PolarHBondContact O-N 3.2Å; L985-T988 VanDerWaalsContact O-N 3.15Å; L985-T988 PolarHBondContact O-OG1 2.89Å; L985-V989 HydrophobicContact CD2-CG2 4.2Å; L985-V989 PolarHBondContact O-N 3.25Å; L985-V989 VanDerWaalsContact O-N 3.17Å
986	F	90.2	Very high	85.2	Confident	83 Å²	83	69.8 Å²	69.8	36%	0.364	34%	0.341	S	S	.	.	H	α-helix	trans	-68.9	-25.6	-179.9	-83.6	-77	0	0	0	112.8	F927 F930 L982 S983 V989 Y990	F927-F986 HydrophobicContact CD2-CB 4.33Å; F927-F986 HydrophobicContact CE2-CB 4.21Å; F930-F986 HydrophobicContact CD1-CB 4.03Å; F930-F986 HydrophobicContact CD1-CD2 4.35Å; F930-F986 HydrophobicContact CD1-CG 4.27Å; F930-F986 HydrophobicContact CE1-CB 3.56Å; F930-F986 AromaticContact CE1-CD2 3.39Å; F930-F986 HydrophobicContact CE1-CD2 3.39Å; F930-F986 HydrophobicContact CE1-CE2 4.24Å; F930-F986 AromaticContact CE1-CG 3.66Å; F930-F986 HydrophobicContact CE1-CG 3.66Å; F930-F986 HydrophobicContact CE2-CD2 4.02Å; F930-F986 HydrophobicContact CE2-CE2 4.05Å; F930-F986 HydrophobicContact CZ-CB 4.28Å; F930-F986 AromaticContact CZ-CD2 3.17Å; F930-F986 HydrophobicContact CZ-CD2 3.17Å; F930-F986 AromaticContact CZ-CE2 3.59Å; F930-F986 HydrophobicContact CZ-CE2 3.59Å; F930-F986 AromaticContact CZ-CG 3.89Å; F930-F986 HydrophobicContact CZ-CG 3.89Å; L982-F986 HydrophobicContact CD2-CD2 3.97Å; L982-F986 HydrophobicContact CD2-CE2 3.51Å; L982-F986 WeakPolarHBondContact O-CD2 3.38Å; L982-F986 PolarHBondContact O-N 3.28Å; S983-F986 PolarHBondContact O-N 2.77Å; F986-V989 PolarHBondContact O-N 2.87Å; F986-Y990 VanDerWaalsContact O-CB 3.25Å; F986-Y990 WeakPolarHBondContact O-CB 3.38Å; F986-Y990 PolarHBondContact O-N 3.24Å
987	M	89.2	Confident	85.8	Confident	13 Å²	13	69.3 Å²	69.3	6%	0.064	34%	0.337	C	S	.	.	H	α-helix	trans	-60.4	-45.8	169.9	-176.6	177.1	-175.5	0	0	111.2	F927 M956 V961 I966 S983 P984 L985 Y990 L991	F927-M987 HydrophobicContact CE2-CB 4.15Å; F927-M987 HydrophobicContact CZ-CB 3.84Å; F927-M987 HydrophobicContact CZ-CG 4.16Å; M956-M987 HydrophobicContact CE-CE 3.63Å; M956-M987 HydrophobicContact CE-SD 4.13Å; M956-M987 HydrophobicContact CG-CE 4.06Å; M956-M987 HydrophobicContact SD-CE 3.73Å; M956-M987 HydrophobicContact SD-SD 4.45Å; V961-M987 HydrophobicContact CB-CE 4.02Å; V961-M987 HydrophobicContact CG1-CE 3.58Å; V961-M987 HydrophobicContact CG2-CE 3.88Å; I966-M987 HydrophobicContact CD1-SD 4.27Å; I966-M987 HydrophobicContact CG1-SD 4.28Å; S983-M987 VanDerWaalsContact O-CB 3.3Å; S983-M987 WeakPolarHBondContact O-CB 3.48Å; S983-M987 PolarHBondContact O-N 2.75Å; P984-M987 WeakPolarHBondContact O-CB 3.4Å; P984-M987 PolarHBondContact O-N 2.81Å; L985-M987 VanDerWaalsContact C-N 3.25Å; L985-M987 PolarHBondContact O-N 3.36Å; M987-Y990 PolarHBondContact O-N 3.43Å; M987-L991 HydrophobicContact CE-CD1 4.24Å; M987-L991 HydrophobicContact CG-CD1 4.2Å; M987-L991 WeakPolarHBondContact O-CG 3.33Å; M987-L991 PolarHBondContact O-N 2.95Å
988	T	88.2	Confident	86	Confident	91 Å²	91	72 Å²	72	56%	0.558	35%	0.346	S	S	*	.	H	α-helix	trans	-64.2	-41.1	176.6	64.6	0	0	0	0	112.3	P984 L985 L991 L992	P984-T988 WeakPolarHBondContact O-CG2 3.45Å; P984-T988 PolarHBondContact O-N 3.27Å; P984-T988 VanDerWaalsContact O-N 3.09Å; L985-T988 PolarHBondContact O-N 3.2Å; L985-T988 VanDerWaalsContact O-N 3.15Å; L985-T988 PolarHBondContact O-OG1 2.89Å; T988-L991 PolarHBondContact O-N 2.96Å; T988-L992 WeakPolarHBondContact O-CB 3.25Å; T988-L992 PolarHBondContact O-N 3.35Å
989	V	91.5	Very high	86.3	Confident	58 Å²	58	66.6 Å²	66.6	35%	0.352	33%	0.33	S	S	.	.	H	α-helix	trans	-64	-44.7	176.9	175.5	0	0	0	0	111.1	L985 F986 L992 L993	L985-V989 HydrophobicContact CD2-CG2 4.2Å; L985-V989 PolarHBondContact O-N 3.25Å; L985-V989 VanDerWaalsContact O-N 3.17Å; F986-V989 PolarHBondContact O-N 2.87Å; V989-L992 PolarHBondContact O-N 2.68Å; V989-L993 HydrophobicContact CG1-CD1 3.85Å; V989-L993 HydrophobicContact CG1-CG 4.39Å; V989-L993 WeakPolarHBondContact O-CB 3.43Å; V989-L993 WeakPolarHBondContact O-CG 3.43Å; V989-L993 PolarHBondContact O-N 3.48Å
990	Y	91.4	Very high	86.1	Confident	11 Å²	11	65 Å²	65	4%	0.043	33%	0.328	C	S	.	.	H	α-helix	trans	-60.3	-48.1	177	165.4	-107.8	0	0	0	111.8	L923 F927 P953 M956 F986 M987 L993 S994	L923-Y990 HydrophobicContact CB-CE2 4.48Å; F927-Y990 HydrophobicContact CB-CD2 3.8Å; F927-Y990 HydrophobicContact CB-CE2 4.35Å; F927-Y990 HydrophobicContact CB-CG 4.01Å; F927-Y990 AromaticContact CD1-CD1 3.61Å; F927-Y990 HydrophobicContact CD1-CD1 3.61Å; F927-Y990 HydrophobicContact CD1-CD2 4.13Å; F927-Y990 AromaticContact CD1-CE1 3.96Å; F927-Y990 HydrophobicContact CD1-CE1 3.96Å; F927-Y990 HydrophobicContact CD1-CE2 4.45Å; F927-Y990 AromaticContact CD1-CG 3.7Å; F927-Y990 HydrophobicContact CD1-CG 3.7Å; F927-Y990 HydrophobicContact CD2-CG 4.32Å; F927-Y990 AromaticContact CE1-CD1 3.84Å; F927-Y990 HydrophobicContact CE1-CD1 3.84Å; F927-Y990 HydrophobicContact CE1-CE1 4.28Å; F927-Y990 HydrophobicContact CE1-CG 4.28Å; F927-Y990 HydrophobicContact CG-CD1 4.13Å; F927-Y990 HydrophobicContact CG-CD2 4.05Å; F927-Y990 AromaticContact CG-CG 3.73Å; F927-Y990 HydrophobicContact CG-CG 3.73Å; P953-Y990 PolarHBondContact O-OH 3.47Å; M956-Y990 HydrophobicContact CB-CE1 4.32Å; F986-Y990 VanDerWaalsContact O-CB 3.25Å; F986-Y990 WeakPolarHBondContact O-CB 3.38Å; F986-Y990 PolarHBondContact O-N 3.24Å; M987-Y990 PolarHBondContact O-N 3.43Å; Y990-L993 PolarHBondContact O-N 3.4Å; Y990-S994 VanDerWaalsContact CE2-OG 3.29Å; Y990-S994 WeakPolarHBondContact CE2-OG 3.36Å; Y990-S994 WeakPolarHBondContact O-CB 3.45Å; Y990-S994 PolarHBondContact O-N 3.18Å; Y990-S994 PolarHBondContact O-OG 2.87Å
991	L	89.8	Confident	85.7	Confident	35 Å²	35	62.4 Å²	62.4	18%	0.183	32%	0.319	C	S	.	.	H	α-helix	trans	-63.7	-44	178.8	-71.7	172.2	0	0	0	111.4	M956 V961 M987 T988 S994 I995	M956-L991 HydrophobicContact CB-CD2 4.41Å; M956-L991 VanDerWaalsContact O-CD2 3.28Å; M956-L991 WeakPolarHBondContact O-CD2 3.31Å; V961-L991 HydrophobicContact CG2-CD1 4.28Å; M987-L991 HydrophobicContact CE-CD1 4.24Å; M987-L991 HydrophobicContact CG-CD1 4.2Å; M987-L991 WeakPolarHBondContact O-CG 3.33Å; M987-L991 PolarHBondContact O-N 2.95Å; T988-L991 PolarHBondContact O-N 2.96Å; L991-S994 PolarHBondContact O-N 3.28Å; L991-I995 WeakPolarHBondContact O-CB 3.37Å; L991-I995 WeakPolarHBondContact O-CD1 3.48Å; L991-I995 WeakPolarHBondContact O-CG1 3.43Å; L991-I995 PolarHBondContact O-N 2.89Å
992	L	90.4	Very high	85.3	Confident	110 Å²	110	59.7 Å²	59.7	58%	0.576	31%	0.313	S	S	*	.	H	α-helix	trans	-59.4	-51.9	177.1	-178.2	69.8	0	0	0	111.5	T988 V989 S994 I995 I996	T988-L992 WeakPolarHBondContact O-CB 3.25Å; T988-L992 PolarHBondContact O-N 3.35Å; V989-L992 PolarHBondContact O-N 2.68Å; L992-S994 PolarHBondContact O-N 3.46Å; L992-I995 PolarHBondContact O-N 3.43Å; L992-I996 HydrophobicContact CD1-CD1 3.95Å; L992-I996 HydrophobicContact CD1-CG1 4.47Å; L992-I996 HydrophobicContact CG-CD1 3.8Å; L992-I996 WeakPolarHBondContact O-CB 3.49Å; L992-I996 WeakPolarHBondContact O-CD1 3.31Å; L992-I996 WeakPolarHBondContact O-CG1 3.33Å; L992-I996 PolarHBondContact O-N 3.44Å
993	L	89.5	Confident	84.6	Confident	81 Å²	81	62.4 Å²	62.4	42%	0.424	33%	0.327	S	S	.	.	H	α-helix	trans	-61.5	-44.4	179.6	-73.2	173.6	0	0	0	111.5	V989 Y990 I996 V997	V989-L993 HydrophobicContact CG1-CD1 3.85Å; V989-L993 HydrophobicContact CG1-CG 4.39Å; V989-L993 WeakPolarHBondContact O-CB 3.43Å; V989-L993 WeakPolarHBondContact O-CG 3.43Å; V989-L993 PolarHBondContact O-N 3.48Å; Y990-L993 PolarHBondContact O-N 3.4Å; L993-I996 PolarHBondContact O-N 3.33Å; L993-V997 WeakPolarHBondContact O-CB 3.43Å; L993-V997 VanDerWaalsContact O-CG2 3.22Å; L993-V997 WeakPolarHBondContact O-CG2 3.15Å; L993-V997 PolarHBondContact O-N 2.9Å
994	S	86.1	Confident	83.9	Confident	2 Å²	2	65.1 Å²	65.1	1%	0.014	35%	0.35	C	S	.	.	H	α-helix	trans	-65.3	-41.3	-178.8	-58.6	0	0	0	0	112	Y990 L991 L992 F998	Y990-S994 VanDerWaalsContact CE2-OG 3.29Å; Y990-S994 WeakPolarHBondContact CE2-OG 3.36Å; Y990-S994 WeakPolarHBondContact O-CB 3.45Å; Y990-S994 PolarHBondContact O-N 3.18Å; Y990-S994 PolarHBondContact O-OG 2.87Å; L991-S994 PolarHBondContact O-N 3.28Å; L992-S994 PolarHBondContact O-N 3.46Å; S994-F998 VanDerWaalsContact O-CB 3.28Å; S994-F998 WeakPolarHBondContact O-CB 3.27Å; S994-F998 PolarHBondContact O-N 3.44Å
995	I	87.2	Confident	82.9	Confident	100 Å²	100	64.4 Å²	64.4	51%	0.513	35%	0.347	S	S	.	.	H	α-helix	trans	-66.3	-44.8	176.3	-69.4	166.2	0	0	0	110.9	L991 L992 V997 F998 L999	L991-I995 WeakPolarHBondContact O-CB 3.37Å; L991-I995 WeakPolarHBondContact O-CD1 3.48Å; L991-I995 WeakPolarHBondContact O-CG1 3.43Å; L991-I995 PolarHBondContact O-N 2.89Å; L992-I995 PolarHBondContact O-N 3.43Å; I995-V997 PolarHBondContact O-N 2.82Å; I995-F998 PolarHBondContact O-N 3.37Å; I995-L999 VanDerWaalsContact O-CB 3.28Å; I995-L999 WeakPolarHBondContact O-CB 3.44Å; I995-L999 PolarHBondContact O-N 2.87Å
996	I	87.2	Confident	81.8	Confident	77 Å²	77	66.3 Å²	66.3	40%	0.395	35%	0.352	S	S	.	.	H	α-helix	trans	-59.9	-47.7	178	-70.5	167.9	0	0	0	110.5	L992 L993 F998 L999 N1000	L992-I996 HydrophobicContact CD1-CD1 3.95Å; L992-I996 HydrophobicContact CD1-CG1 4.47Å; L992-I996 HydrophobicContact CG-CD1 3.8Å; L992-I996 WeakPolarHBondContact O-CB 3.49Å; L992-I996 WeakPolarHBondContact O-CD1 3.31Å; L992-I996 WeakPolarHBondContact O-CG1 3.33Å; L992-I996 PolarHBondContact O-N 3.44Å; L993-I996 PolarHBondContact O-N 3.33Å; I996-F998 PolarHBondContact O-N 2.89Å; I996-L999 PolarHBondContact O-N 3.44Å; I996-N1000 WeakPolarHBondContact CG2-ND2 3.34Å; I996-N1000 VanDerWaalsContact O-CB 3.31Å; I996-N1000 WeakPolarHBondContact O-CB 3.37Å; I996-N1000 VanDerWaalsContact O-CG 3.27Å; I996-N1000 PolarHBondContact O-N 2.98Å; I996-N1000 PolarHBondContact O-ND2 2.94Å
997	V	83.6	Confident	80.5	Confident	39 Å²	39	68.7 Å²	68.7	24%	0.236	37%	0.369	C	S	.	.	H	α-helix	trans	-62.1	-43.4	179.3	168.7	0	0	0	0	110.9	L916 L993 I995 M1001	L916-V997 HydrophobicContact CD1-CG1 3.49Å; L916-V997 VanDerWaalsContact CD1-CG1 3.49Å; L916-V997 HydrophobicContact CG-CG1 4.27Å; L993-V997 WeakPolarHBondContact O-CB 3.43Å; L993-V997 VanDerWaalsContact O-CG2 3.22Å; L993-V997 WeakPolarHBondContact O-CG2 3.15Å; L993-V997 PolarHBondContact O-N 2.9Å; I995-V997 PolarHBondContact O-N 2.82Å; V997-M1001 PolarHBondContact O-N 3.06Å
998	F	79.6	Confident	79	Confident	94 Å²	94	70.6 Å²	70.6	41%	0.412	39%	0.386	S	S	.	.	H	α-helix	trans	-66	-46.6	178.8	-173	-99.2	0	0	0	112.7	S994 I995 I996 M1001 M1002	S994-F998 VanDerWaalsContact O-CB 3.28Å; S994-F998 WeakPolarHBondContact O-CB 3.27Å; S994-F998 PolarHBondContact O-N 3.44Å; I995-F998 PolarHBondContact O-N 3.37Å; I996-F998 PolarHBondContact O-N 2.89Å; F998-M1001 PolarHBondContact O-N 2.87Å; F998-M1002 HydrophobicContact CD1-SD 4.5Å; F998-M1002 HydrophobicContact CE1-CG 4.23Å; F998-M1002 HydrophobicContact CE1-SD 3.71Å; F998-M1002 HydrophobicContact CZ-CG 4.46Å; F998-M1002 HydrophobicContact CZ-SD 4.1Å; F998-M1002 PolarHBondContact O-N 3.38Å
999	L	80.7	Confident	77.7	Confident	92 Å²	92	75 Å²	75	48%	0.482	40%	0.4	S	S	.	.	H	α-helix	trans	-68.9	-45.3	-176	-166.6	149.6	0	0	0	112	I995 I996 M1001 M1002 I1003	I995-L999 VanDerWaalsContact O-CB 3.28Å; I995-L999 WeakPolarHBondContact O-CB 3.44Å; I995-L999 PolarHBondContact O-N 2.87Å; I996-L999 PolarHBondContact O-N 3.44Å; L999-M1001 PolarHBondContact O-N 3.02Å; L999-M1002 PolarHBondContact O-N 3.14Å; L999-I1003 HydrophobicContact CD2-CD1 3.6Å; L999-I1003 HydrophobicContact CD2-CG1 4.4Å; L999-I1003 WeakPolarHBondContact O-CG1 3.4Å; L999-I1003 PolarHBondContact O-N 2.99Å
1000	N	77.6	Confident	76.4	Confident	99 Å²	99	73 Å²	73	53%	0.529	39%	0.389	S	S	.	.	H	α-helix	trans	-59.6	-36.1	177.5	-74.6	-20.4	0	0	0	111.8	I996 A1004	I996-N1000 WeakPolarHBondContact CG2-ND2 3.34Å; I996-N1000 VanDerWaalsContact O-CB 3.31Å; I996-N1000 WeakPolarHBondContact O-CB 3.37Å; I996-N1000 VanDerWaalsContact O-CG 3.27Å; I996-N1000 PolarHBondContact O-N 2.98Å; I996-N1000 PolarHBondContact O-ND2 2.94Å; N1000-A1004 PolarHBondContact O-N 3.37Å
1001	M	70.1	Confident	75.7	Confident	32 Å²	32	77.3 Å²	77.3	16%	0.158	41%	0.413	C	S	.	.	H	α-helix	trans	-73.9	-40.6	177.4	-167.4	-159.1	60.2	0	0	112.5	M913 L916 V997 F998 L999 I1003 A1004 A1005	M913-M1001 HydrophobicContact CB-CE 4.41Å; M913-M1001 HydrophobicContact CB-SD 4.48Å; M913-M1001 HydrophobicContact CE-CE 3.57Å; M913-M1001 HydrophobicContact CG-CE 3.58Å; M913-M1001 HydrophobicContact CG-SD 3.98Å; M913-M1001 HydrophobicContact SD-CE 4.25Å; L916-M1001 HydrophobicContact CB-CE 4.35Å; L916-M1001 HydrophobicContact CB-SD 3.35Å; L916-M1001 WeakPolarHBondContact CB-SD 3.39Å; L916-M1001 HydrophobicContact CD1-CB 4.03Å; L916-M1001 HydrophobicContact CD1-CG 4.19Å; L916-M1001 HydrophobicContact CD1-SD 3.76Å; L916-M1001 HydrophobicContact CD2-CB 4.13Å; L916-M1001 HydrophobicContact CD2-CE 3.22Å; L916-M1001 HydrophobicContact CD2-CG 4.25Å; L916-M1001 HydrophobicContact CD2-SD 3.22Å; L916-M1001 WeakPolarHBondContact CD2-SD 3.36Å; L916-M1001 HydrophobicContact CG-CE 4.23Å; L916-M1001 HydrophobicContact CG-SD 3.56Å; L916-M1001 VanDerWaalsContact CG-SD 3.56Å; V997-M1001 PolarHBondContact O-N 3.06Å; F998-M1001 PolarHBondContact O-N 2.87Å; L999-M1001 PolarHBondContact O-N 3.02Å; M1001-I1003 PolarHBondContact O-N 2.84Å; M1001-A1004 PolarHBondContact O-N 2.71Å; M1001-A1004 VanDerWaalsContact O-N 3.17Å; M1001-A1005 VanDerWaalsContact O-CB 3.31Å; M1001-A1005 WeakPolarHBondContact O-CB 3.46Å; M1001-A1005 PolarHBondContact O-N 3.46Å
1002	M	73.8	Confident	75.1	Confident	82 Å²	82	79 Å²	79	40%	0.404	42%	0.422	S	S	.	.	H	α-helix	trans	-56.7	-40.8	176	-89.5	-160.3	66.1	0	0	111.7	F998 L999 A1005 F1006	F998-M1002 HydrophobicContact CD1-SD 4.5Å; F998-M1002 HydrophobicContact CE1-CG 4.23Å; F998-M1002 HydrophobicContact CE1-SD 3.71Å; F998-M1002 HydrophobicContact CZ-CG 4.46Å; F998-M1002 HydrophobicContact CZ-SD 4.1Å; F998-M1002 PolarHBondContact O-N 3.38Å; L999-M1002 PolarHBondContact O-N 3.14Å; M1002-A1005 WeakPolarHBondContact O-CB 3.33Å; M1002-A1005 PolarHBondContact O-N 3.35Å; M1002-F1006 HydrophobicContact CE-CE2 3.58Å; M1002-F1006 HydrophobicContact CE-CZ 4.07Å; M1002-F1006 WeakPolarHBondContact O-CD2 3.44Å; M1002-F1006 PolarHBondContact O-N 3.26Å
1003	I	74	Confident	74.4	Confident	94 Å²	94	75.6 Å²	75.6	48%	0.482	40%	0.404	S	S	.	.	H	α-helix	trans	-63.9	-48.8	176	-63.5	171.1	0	0	0	110.9	L999 M1001 A1005 F1006	L999-I1003 HydrophobicContact CD2-CD1 3.6Å; L999-I1003 HydrophobicContact CD2-CG1 4.4Å; L999-I1003 WeakPolarHBondContact O-CG1 3.4Å; L999-I1003 PolarHBondContact O-N 2.99Å; M1001-I1003 PolarHBondContact O-N 2.84Å; I1003-A1005 PolarHBondContact O-N 3.33Å; I1003-F1006 PolarHBondContact O-N 2.94Å
1004	A	68.5	Low	74.1	Confident	66 Å²	66	72.7 Å²	72.7	55%	0.545	39%	0.387	S	S	.	.	H	α-helix	trans	-60.3	-32.7	178.9	0	0	0	0	0	112.6	N1000 M1001	N1000-A1004 PolarHBondContact O-N 3.37Å; M1001-A1004 PolarHBondContact O-N 2.71Å; M1001-A1004 VanDerWaalsContact O-N 3.17Å
1005	A	63.2	Low	73.9	Confident	19 Å²	19	75.9 Å²	75.9	16%	0.157	40%	0.401	C	S	.	.	H	α-helix	trans	-67.9	-39.5	179.9	0	0	0	0	0	112.2	M909 M1001 M1002 I1003 N1007	M909-A1005 HydrophobicContact CE-CB 3.48Å; M909-A1005 VanDerWaalsContact CE-CB 3.48Å; M909-A1005 WeakPolarHBondContact CE-O 3.41Å; M909-A1005 HydrophobicContact CG-CB 3.83Å; M909-A1005 HydrophobicContact SD-CB 3.78Å; M1001-A1005 VanDerWaalsContact O-CB 3.31Å; M1001-A1005 WeakPolarHBondContact O-CB 3.46Å; M1001-A1005 PolarHBondContact O-N 3.46Å; M1002-A1005 WeakPolarHBondContact O-CB 3.33Å; M1002-A1005 PolarHBondContact O-N 3.35Å; I1003-A1005 PolarHBondContact O-N 3.33Å; A1005-N1007 PolarHBondContact O-N 3.38Å
1006	F	65.4	Low	73.7	Confident	114 Å²	114	72.2 Å²	72.2	50%	0.5	38%	0.381	S	S	.	.	H	α-helix	trans	-73.5	-21.8	-178.3	-76	-60.1	0	0	0	114.4	M909 M1002 I1003 A1008	M909-F1006 HydrophobicContact CE-CD1 3.66Å; M909-F1006 HydrophobicContact CE-CE1 3.93Å; M909-F1006 HydrophobicContact CE-CG 4.11Å; M1002-F1006 HydrophobicContact CE-CE2 3.58Å; M1002-F1006 HydrophobicContact CE-CZ 4.07Å; M1002-F1006 WeakPolarHBondContact O-CD2 3.44Å; M1002-F1006 PolarHBondContact O-N 3.26Å; I1003-F1006 PolarHBondContact O-N 2.94Å; F1006-A1008 PolarHBondContact O-N 3.31Å
1007	N	62.8	Low	73.3	Confident	133 Å²	133	72 Å²	72	71%	0.711	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	4.5	-178.1	-76.9	-17.5	0	0	0	115.1	A1005	A1005-N1007 PolarHBondContact O-N 3.38Å
1008	A	57.6	Low	73.3	Confident	53 Å²	53	71.1 Å²	71.1	44%	0.438	37%	0.371	S	S	.	.	S	Bend	trans	-90	121.9	-177.3	0	0	0	0	0	113.5	F1006 S1010	F1006-A1008 PolarHBondContact O-N 3.31Å; A1008-S1010 PolarHBondContact O-N 2.91Å
1009	H	60.7	Low	73.4	Confident	183 Å²	183	67 Å²	67	85%	0.847	35%	0.353	S	S	*	.			trans	-56.3	89.3	177.4	-66.6	-48.8	0	0	0	114.4
1010	S	65.9	Low	73.2	Confident	16 Å²	16	65.9 Å²	65.9	11%	0.112	35%	0.345	C	S	.	.			trans	-94.7	-30.9	-173.3	56.3	0	0	0	0	114.9	I905 A1008 L1012 I1013 W1014	I905-S1010 VanDerWaalsContact CD1-OG 3.23Å; I905-S1010 WeakPolarHBondContact CD1-OG 3.36Å; I905-S1010 WeakPolarHBondContact CG1-OG 3.15Å; A1008-S1010 PolarHBondContact O-N 2.91Å; S1010-L1012 PolarHBondContact O-N 3.13Å; S1010-I1013 PolarHBondContact O-N 3.17Å; S1010-W1014 PolarHBondContact O-N 2.86Å
1011	N	75.4	Confident	73.1	Confident	103 Å²	103	62 Å²	62	55%	0.551	32%	0.323	S	S	*	.	H	α-helix	trans	-58.6	-41.8	-170.9	-72.9	-25.6	0	0	0	113.9	I1013 K1015	N1011-I1013 VanDerWaalsContact C-N 3.26Å; N1011-I1013 PolarHBondContact O-N 3.37Å; N1011-K1015 WeakPolarHBondContact O-CG 3.4Å; N1011-K1015 PolarHBondContact O-N 3.34Å; N1011-K1015 VanDerWaalsContact O-N 3.11Å
1012	L	77.3	Confident	73.3	Confident	70 Å²	70	60.6 Å²	60.6	37%	0.366	32%	0.317	S	S	.	.	H	α-helix	trans	-62.2	-38.2	178.3	-173	76.1	0	0	0	111.4	K633 E634 A637 S1010 K1015 Y1016	K633-L1012 HydrophobicContact CB-CD2 4.06Å; K633-L1012 HydrophobicContact CB-CG 4.22Å; E634-L1012 HydrophobicContact CG-CD2 4.48Å; A637-L1012 HydrophobicContact CB-CD1 3.36Å; A637-L1012 HydrophobicContact CB-CG 4.44Å; S1010-L1012 PolarHBondContact O-N 3.13Å; L1012-K1015 PolarHBondContact O-N 2.95Å; L1012-Y1016 PolarHBondContact O-N 3.03Å
1013	I	77	Confident	73.3	Confident	39 Å²	39	57.6 Å²	57.6	20%	0.2	30%	0.302	C	S	.	.	H	α-helix	trans	-78.6	-37.9	-173.8	-58.4	165.7	0	0	0	109.9	S1010 N1011 K1015 Y1016 Q1017	S1010-I1013 PolarHBondContact O-N 3.17Å; N1011-I1013 VanDerWaalsContact C-N 3.26Å; N1011-I1013 PolarHBondContact O-N 3.37Å; I1013-K1015 VanDerWaalsContact C-N 3.34Å; I1013-K1015 PolarHBondContact O-N 3.29Å; I1013-Y1016 PolarHBondContact O-N 3.43Å; I1013-Q1017 HydrophobicContact CG2-CG 4.35Å; I1013-Q1017 WeakPolarHBondContact O-CG 3.39Å; I1013-Q1017 PolarHBondContact O-N 3.08Å
1014	W	81.6	Confident	73.1	Confident	20 Å²	20	55.2 Å²	55.2	8%	0.076	29%	0.29	C	S	.	.	H	α-helix	trans	-58.1	-46.6	170.4	170.4	70.9	0	0	0	111.8	T894 G900 P901 T904 S1010 Y1016 Q1017 K1018	T894-W1014 PolarHBondContact O-NE1 3.08Å; G900-W1014 VanDerWaalsContact CA-NE1 3.28Å; P901-W1014 HydrophobicContact CB-CB 4.41Å; P901-W1014 HydrophobicContact CB-CD2 4.47Å; P901-W1014 HydrophobicContact CB-CG 4.27Å; P901-W1014 HydrophobicContact CG-CB 4.39Å; P901-W1014 HydrophobicContact CG-CD2 3.56Å; P901-W1014 HydrophobicContact CG-CE3 3.7Å; P901-W1014 HydrophobicContact CG-CG 3.83Å; P901-W1014 HydrophobicContact CG-CZ3 4.26Å; T904-W1014 HydrophobicContact CG2-CB 4.28Å; S1010-W1014 PolarHBondContact O-N 2.86Å; W1014-Y1016 PolarHBondContact O-N 3.47Å; W1014-Q1017 PolarHBondContact O-N 3.3Å; W1014-Q1017 VanDerWaalsContact O-N 3.15Å; W1014-K1018 HydrophobicContact CH2-CD 4.2Å; W1014-K1018 HydrophobicContact CZ2-CD 4.07Å; W1014-K1018 WeakPolarHBondContact O-CB 3.48Å; W1014-K1018 PolarHBondContact O-N 3.03Å
1015	K	81.9	Confident	73.1	Confident	69 Å²	69	53.8 Å²	53.8	30%	0.3	27%	0.271	S	S	.	.	H	α-helix	trans	-57.8	-36.8	177.8	-77.6	-177.8	173.1	-171.5	0	113.2	A637 Q642 N1011 L1012 I1013	A637-K1015 HydrophobicContact CB-CB 3.98Å; A637-K1015 HydrophobicContact CB-CD 3.67Å; A637-K1015 PolarHBondContact O-NZ 3.35Å; A637-K1015 VanDerWaalsContact O-NZ 3.09Å; Q642-K1015 HydrophobicContact CG-CD 4.31Å; Q642-K1015 PolarHBondContact NE2-O 3.08Å; Q642-K1015 VanDerWaalsContact NE2-O 3.11Å; N1011-K1015 WeakPolarHBondContact O-CG 3.4Å; N1011-K1015 PolarHBondContact O-N 3.34Å; N1011-K1015 VanDerWaalsContact O-N 3.11Å; L1012-K1015 PolarHBondContact O-N 2.95Å; I1013-K1015 VanDerWaalsContact C-N 3.34Å; I1013-K1015 PolarHBondContact O-N 3.29Å
1016	Y	82.9	Confident	73.2	Confident	23 Å²	23	56 Å²	56	9%	0.09	28%	0.278	C	S	.	.	H	α-helix	trans	-72.2	-45.5	174.3	177.7	-95.1	0	0	0	112.1	K633 I636 L1012 I1013 W1014 K1018 F1019 E1020	K633-Y1016 HydrophobicContact CG-CD2 4.12Å; K633-Y1016 HydrophobicContact CG-CG 4.14Å; I636-Y1016 HydrophobicContact CB-CD2 4.24Å; I636-Y1016 HydrophobicContact CD1-CD2 3.55Å; I636-Y1016 HydrophobicContact CD1-CE2 3.48Å; I636-Y1016 VanDerWaalsContact CD1-CE2 3.48Å; I636-Y1016 HydrophobicContact CG1-CD2 4.49Å; I636-Y1016 HydrophobicContact CG2-CD2 4.29Å; L1012-Y1016 PolarHBondContact O-N 3.03Å; I1013-Y1016 PolarHBondContact O-N 3.43Å; W1014-Y1016 PolarHBondContact O-N 3.47Å; Y1016-K1018 PolarHBondContact O-N 3.49Å; Y1016-F1019 VanDerWaalsContact O-CB 3.27Å; Y1016-F1019 WeakPolarHBondContact O-CB 3.4Å; Y1016-F1019 PolarHBondContact O-N 2.9Å; Y1016-E1020 HydrophobicContact CE1-CG 4.45Å; Y1016-E1020 WeakPolarHBondContact CE1-OE1 3.39Å
1017	Q	80.4	Confident	72.9	Confident	72 Å²	72	53 Å²	53	34%	0.336	27%	0.266	S	S	.	.	H	α-helix	trans	-63.3	-32.2	178	-73.6	179.4	-44.4	0	0	112.4	I1013 W1014 F1019 E1020 Q1021	I1013-Q1017 HydrophobicContact CG2-CG 4.35Å; I1013-Q1017 WeakPolarHBondContact O-CG 3.39Å; I1013-Q1017 PolarHBondContact O-N 3.08Å; W1014-Q1017 PolarHBondContact O-N 3.3Å; W1014-Q1017 VanDerWaalsContact O-N 3.15Å; Q1017-F1019 PolarHBondContact O-N 3.32Å; Q1017-E1020 PolarHBondContact O-N 3.48Å; Q1017-Q1021 WeakPolarHBondContact O-CB 3.3Å; Q1017-Q1021 PolarHBondContact O-N 2.9Å
1018	K	82.3	Confident	73	Confident	20 Å²	20	51 Å²	51	9%	0.087	25%	0.252	C	S	.	.	H	α-helix	trans	-56.8	-38.9	172.1	-172	-170.6	175.9	-163.2	0	111.6	W1014 Y1016 Q1021 V1022	W1014-K1018 HydrophobicContact CH2-CD 4.2Å; W1014-K1018 HydrophobicContact CZ2-CD 4.07Å; W1014-K1018 WeakPolarHBondContact O-CB 3.48Å; W1014-K1018 PolarHBondContact O-N 3.03Å; Y1016-K1018 PolarHBondContact O-N 3.49Å; K1018-Q1021 PolarHBondContact O-N 3.37Å; K1018-V1022 HydrophobicContact CG-CG2 4.17Å; K1018-V1022 WeakPolarHBondContact O-CB 3.45Å; K1018-V1022 WeakPolarHBondContact O-CG2 3.42Å; K1018-V1022 PolarHBondContact O-N 3.44Å
1019	F	81.7	Confident	73	Confident	9 Å²	9	50.8 Å²	50.8	4%	0.039	25%	0.247	C	C	.	.	H	α-helix	trans	-60	-52.9	175.8	169.8	-93	0	0	0	111.1	I624 A628 I636 L645 Y1016 Q1017 Q1021 V1022 M1023 Y1078	I624-F1019 HydrophobicContact CG2-CD2 3.76Å; I624-F1019 HydrophobicContact CG2-CE2 3.19Å; I624-F1019 HydrophobicContact CG2-CZ 3.88Å; A628-F1019 HydrophobicContact CB-CD1 4.27Å; A628-F1019 HydrophobicContact CB-CE1 3.53Å; A628-F1019 HydrophobicContact CB-CZ 4.02Å; I636-F1019 HydrophobicContact CG2-CB 3.77Å; I636-F1019 HydrophobicContact CG2-CG 4.28Å; L645-F1019 HydrophobicContact CD1-CB 3.82Å; L645-F1019 HydrophobicContact CD1-CD2 4.2Å; L645-F1019 HydrophobicContact CD2-CB 4.41Å; L645-F1019 HydrophobicContact CD2-CD2 3.83Å; L645-F1019 HydrophobicContact CG-CD2 4.43Å; Y1016-F1019 VanDerWaalsContact O-CB 3.27Å; Y1016-F1019 WeakPolarHBondContact O-CB 3.4Å; Y1016-F1019 PolarHBondContact O-N 2.9Å; Q1017-F1019 PolarHBondContact O-N 3.32Å; F1019-Q1021 VanDerWaalsContact C-N 3.25Å; F1019-Q1021 PolarHBondContact O-N 3.28Å; F1019-V1022 PolarHBondContact O-N 3.01Å; F1019-M1023 HydrophobicContact CD2-CG 4.31Å; F1019-M1023 HydrophobicContact CE1-CG 4.15Å; F1019-M1023 HydrophobicContact CE2-CG 3.76Å; F1019-M1023 HydrophobicContact CE2-SD 4.15Å; F1019-M1023 HydrophobicContact CZ-CG 3.7Å; F1019-M1023 HydrophobicContact CZ-SD 4.39Å; F1019-M1023 WeakPolarHBondContact O-CG 3.34Å; F1019-M1023 PolarHBondContact O-N 3.08Å; F1019-M1023 VanDerWaalsContact O-N 3.08Å; F1019-Y1078 HydrophobicContact CZ-CE2 4.44Å
1020	E	76.2	Confident	72.8	Confident	68 Å²	68	48.8 Å²	48.8	32%	0.318	24%	0.237	S	C	.	.	H	α-helix	trans	-57.4	-42.4	179.6	-65.7	179.9	154.8	0	0	111.2	Y1016 Q1017 D1024	Y1016-E1020 HydrophobicContact CE1-CG 4.45Å; Y1016-E1020 WeakPolarHBondContact CE1-OE1 3.39Å; Q1017-E1020 PolarHBondContact O-N 3.48Å; E1020-D1024 WeakPolarHBondContact O-CB 3.4Å; E1020-D1024 PolarHBondContact O-N 2.95Å
1021	Q	75.8	Confident	72.5	Confident	16 Å²	16	50.2 Å²	50.2	8%	0.075	24%	0.243	C	C	.	.	H	α-helix	trans	-69.5	-44.8	-178.8	-172.5	169.5	24.9	0	0	113.4	H891 T894 V895 Q1017 K1018 F1019 M1023 D1024 Y1025	H891-Q1021 PolarHBondContact O-NE2 3.06Å; T894-Q1021 PolarHBondContact OG1-NE2 3.24Å; T894-Q1021 PolarHBondContact OG1-OE1 3Å; V895-Q1021 HydrophobicContact CG2-CG 3.69Å; Q1017-Q1021 WeakPolarHBondContact O-CB 3.3Å; Q1017-Q1021 PolarHBondContact O-N 2.9Å; K1018-Q1021 PolarHBondContact O-N 3.37Å; F1019-Q1021 VanDerWaalsContact C-N 3.25Å; F1019-Q1021 PolarHBondContact O-N 3.28Å; Q1021-M1023 VanDerWaalsContact C-N 3.3Å; Q1021-M1023 PolarHBondContact O-N 2.8Å; Q1021-D1024 PolarHBondContact O-N 3.07Å; Q1021-Y1025 HydrophobicContact CG-CD2 3.8Å; Q1021-Y1025 HydrophobicContact CG-CE2 3.61Å; Q1021-Y1025 WeakPolarHBondContact O-CD2 3.29Å; Q1021-Y1025 PolarHBondContact O-N 3.44Å
1022	V	74.6	Confident	71.7	Confident	3 Å²	3	47.2 Å²	47.2	2%	0.018	23%	0.229	C	C	.	.	H	α-helix	trans	-60.5	-44.4	178.1	169.5	0	0	0	0	109.9	L645 L648 W649 K1018 F1019 D1024 Y1025 E1026	L645-V1022 HydrophobicContact CD2-CB 4Å; L645-V1022 HydrophobicContact CD2-CG1 3.96Å; L645-V1022 HydrophobicContact CD2-CG2 4.41Å; L648-V1022 HydrophobicContact CB-CG1 4.14Å; W649-V1022 HydrophobicContact CB-CG2 4.47Å; W649-V1022 HydrophobicContact CE3-CG2 4.05Å; K1018-V1022 HydrophobicContact CG-CG2 4.17Å; K1018-V1022 WeakPolarHBondContact O-CB 3.45Å; K1018-V1022 WeakPolarHBondContact O-CG2 3.42Å; K1018-V1022 PolarHBondContact O-N 3.44Å; F1019-V1022 PolarHBondContact O-N 3.01Å; V1022-D1024 VanDerWaalsContact C-N 3.34Å; V1022-D1024 PolarHBondContact O-N 3.36Å; V1022-Y1025 PolarHBondContact O-N 3.48Å; V1022-E1026 WeakPolarHBondContact O-CB 3.48Å; V1022-E1026 PolarHBondContact O-N 3.26Å
1023	M	73.8	Confident	71	Confident	19 Å²	19	44.8 Å²	44.8	9%	0.094	22%	0.218	C	C	.	.	H	α-helix	trans	-63.2	-39.5	176.9	-67.2	-56.2	-40.8	0	0	112.3	F1019 Q1021 Y1025 E1026 Q1027 Y1078	F1019-M1023 HydrophobicContact CD2-CG 4.31Å; F1019-M1023 HydrophobicContact CE1-CG 4.15Å; F1019-M1023 HydrophobicContact CE2-CG 3.76Å; F1019-M1023 HydrophobicContact CE2-SD 4.15Å; F1019-M1023 HydrophobicContact CZ-CG 3.7Å; F1019-M1023 HydrophobicContact CZ-SD 4.39Å; F1019-M1023 WeakPolarHBondContact O-CG 3.34Å; F1019-M1023 PolarHBondContact O-N 3.08Å; F1019-M1023 VanDerWaalsContact O-N 3.08Å; Q1021-M1023 VanDerWaalsContact C-N 3.3Å; Q1021-M1023 PolarHBondContact O-N 2.8Å; M1023-Y1025 VanDerWaalsContact C-N 3.34Å; M1023-Y1025 PolarHBondContact O-N 3.23Å; M1023-E1026 PolarHBondContact O-N 3.05Å; M1023-Q1027 WeakPolarHBondContact O-CG 3.44Å; M1023-Q1027 PolarHBondContact O-N 3.09Å; M1023-Y1078 HydrophobicContact CB-CE1 3.95Å; M1023-Y1078 HydrophobicContact CB-CE2 4.46Å; M1023-Y1078 VanDerWaalsContact CB-OH 3.22Å; M1023-Y1078 WeakPolarHBondContact CB-OH 3.41Å; M1023-Y1078 HydrophobicContact CE-CD2 4.14Å; M1023-Y1078 HydrophobicContact CE-CE1 4.39Å; M1023-Y1078 HydrophobicContact CE-CE2 3.95Å; M1023-Y1078 HydrophobicContact CE-CG 4.47Å; M1023-Y1078 HydrophobicContact CG-CE2 4.21Å; M1023-Y1078 WeakPolarHBondContact CG-OH 3.27Å
1024	D	69.8	Low	70.4	Confident	44 Å²	44	43.8 Å²	43.8	24%	0.235	21%	0.214	C	C	.	.	H	α-helix	trans	-64.7	-36.3	177.5	-83.5	1.7	0	0	0	113.1	E1020 Q1021 V1022 K1082	E1020-D1024 WeakPolarHBondContact O-CB 3.4Å; E1020-D1024 PolarHBondContact O-N 2.95Å; Q1021-D1024 PolarHBondContact O-N 3.07Å; V1022-D1024 VanDerWaalsContact C-N 3.34Å; V1022-D1024 PolarHBondContact O-N 3.36Å; D1024-K1082 IonicContact OD1-NZ 2.59Å; D1024-K1082 PolarHBondContact OD1-NZ 3.27Å; D1024-K1082 IonicContact OD2-NZ 3.1Å; D1024-K1082 PolarHBondContact OD2-NZ 2.81Å
1025	Y	69.2	Low	69.7	Low	36 Å²	36	48.2 Å²	48.2	14%	0.141	23%	0.234	C	C	.	.	H	α-helix	trans	-73	-37.6	175.5	-83.3	-69.3	0	0	0	112.7	W649 P788 V895 Q1021 V1022 M1023 Q1027 Q1028	W649-Y1025 HydrophobicContact CH2-CD2 4.21Å; W649-Y1025 HydrophobicContact CH2-CE2 4.43Å; W649-Y1025 AromaticContact CZ3-CD2 3.71Å; W649-Y1025 HydrophobicContact CZ3-CD2 3.71Å; W649-Y1025 HydrophobicContact CZ3-CE2 4.34Å; W649-Y1025 HydrophobicContact CZ3-CG 4.03Å; P788-Y1025 HydrophobicContact CG-CD1 3.94Å; P788-Y1025 HydrophobicContact CG-CE1 4.21Å; V895-Y1025 HydrophobicContact CG2-CD2 4.36Å; V895-Y1025 HydrophobicContact CG2-CE2 3.97Å; Q1021-Y1025 HydrophobicContact CG-CD2 3.8Å; Q1021-Y1025 HydrophobicContact CG-CE2 3.61Å; Q1021-Y1025 WeakPolarHBondContact O-CD2 3.29Å; Q1021-Y1025 PolarHBondContact O-N 3.44Å; V1022-Y1025 PolarHBondContact O-N 3.48Å; M1023-Y1025 VanDerWaalsContact C-N 3.34Å; M1023-Y1025 PolarHBondContact O-N 3.23Å; Y1025-Q1027 PolarHBondContact O-N 3.4Å; Y1025-Q1028 WeakPolarHBondContact O-CB 3.05Å; Y1025-Q1028 PolarHBondContact O-N 3.32Å; Y1025-Q1028 VanDerWaalsContact O-N 3.13Å
1026	E	64.4	Low	69	Low	65 Å²	65	45 Å²	45	30%	0.304	22%	0.22	S	C	.	.	H	α-helix	trans	-62.6	-33.4	177.3	-162.4	-158.5	120.8	0	0	111.8	Q689 V1022 M1023 Q1028	Q689-E1026 VanDerWaalsContact CD-CD 3.41Å; Q689-E1026 PolarHBondContact NE2-OE1 3.01Å; Q689-E1026 PolarHBondContact NE2-OE2 2.85Å; Q689-E1026 PolarHBondContact OE1-OE1 3.5Å; Q689-E1026 PolarHBondContact OE1-OE2 3.49Å; V1022-E1026 WeakPolarHBondContact O-CB 3.48Å; V1022-E1026 PolarHBondContact O-N 3.26Å; M1023-E1026 PolarHBondContact O-N 3.05Å; E1026-Q1028 VanDerWaalsContact C-N 3.28Å; E1026-Q1028 PolarHBondContact O-N 2.99Å
1027	Q	60.7	Low	68.3	Low	52 Å²	52	45.8 Å²	45.8	24%	0.243	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-10.5	176.8	-68.6	-164	-38.7	0	0	114.6	M1023 Y1025 L1075	M1023-Q1027 WeakPolarHBondContact O-CG 3.44Å; M1023-Q1027 PolarHBondContact O-N 3.09Å; Y1025-Q1027 PolarHBondContact O-N 3.4Å; Q1027-L1075 HydrophobicContact CG-CD2 4.41Å
1028	Q	63.4	Low	68.1	Low	90 Å²	90	46.9 Å²	46.9	42%	0.421	24%	0.236	S	C	.	.	S	Bend	trans	-72.6	142.9	-179.8	-74.9	176.2	1.6	0	0	110.9	Y1025 E1026 F1030	Y1025-Q1028 WeakPolarHBondContact O-CB 3.05Å; Y1025-Q1028 PolarHBondContact O-N 3.32Å; Y1025-Q1028 VanDerWaalsContact O-N 3.13Å; E1026-Q1028 VanDerWaalsContact C-N 3.28Å; E1026-Q1028 PolarHBondContact O-N 2.99Å; Q1028-F1030 PolarHBondContact O-N 3.37Å
1029	S	59	Low	67.5	Low	49 Å²	49	47.2 Å²	47.2	34%	0.343	24%	0.24	S	C	.	.			trans	-52.1	135.4	173.4	-55.7	0	0	0	0	110.3	L1031	S1029-L1031 PolarHBondContact O-N 2.91Å
1030	F	56.4	Low	66.9	Low	141 Å²	141	48.5 Å²	48.5	62%	0.618	25%	0.246	S	C	*	.	S	Bend	trans	-56.2	-16	178.8	73	-83.4	0	0	0	114.7	Q1028	Q1028-F1030 PolarHBondContact O-N 3.37Å
1031	L	59	Low	66.8	Low	46 Å²	46	51 Å²	51	24%	0.241	26%	0.261	C	S	.	.	S	Bend	trans	-90	138.1	-176.6	-80.4	158.4	0	0	0	111.3	S1029 F1035 V1036 V1039	S1029-L1031 PolarHBondContact O-N 2.91Å; L1031-F1035 HydrophobicContact CB-CB 4.02Å; L1031-F1035 HydrophobicContact CD1-CB 4.47Å; L1031-F1035 HydrophobicContact CD2-CB 3.78Å; L1031-F1035 HydrophobicContact CD2-CG 4.34Å; L1031-F1035 HydrophobicContact CG-CB 4.27Å; L1031-V1036 HydrophobicContact CB-CG2 4.32Å; L1031-V1036 WeakPolarHBondContact O-CG2 3.45Å; L1031-V1039 HydrophobicContact CD1-CG2 3.18Å
1032	P	59.2	Low	66.9	Low	41 Å²	41	56.8 Å²	56.8	27%	0.266	29%	0.286	S	S	.	.			trans	-49.6	144.5	167.7	-23.7	29.8	0	0	0	111	P1034 F1035 V1036	P1032-P1034 VanDerWaalsContact C-N 3.29Å; P1032-P1034 HydrophobicContact CB-CG 4.19Å; P1032-P1034 WeakPolarHBondContact O-CD 3.46Å; P1032-F1035 HydrophobicContact CB-CD2 3.91Å; P1032-F1035 HydrophobicContact CB-CE2 4.4Å; P1032-F1035 HydrophobicContact CG-CD2 3.85Å; P1032-F1035 HydrophobicContact CG-CE2 4.2Å; P1032-F1035 PolarHBondContact O-N 2.88Å; P1032-V1036 PolarHBondContact O-N 3.31Å
1033	P	62.8	Low	66.8	Low	19 Å²	19	61.9 Å²	61.9	12%	0.123	31%	0.31	C	S	.	.	H	α-helix	trans	-43	-38.8	-178.8	-31.9	37.8	0	0	0	117.1	F821 F1035 V1036	F821-P1033 HydrophobicContact CD1-CB 4.43Å; F821-P1033 HydrophobicContact CD2-CB 3.9Å; F821-P1033 HydrophobicContact CD2-CG 4.27Å; F821-P1033 HydrophobicContact CE1-CB 4.31Å; F821-P1033 HydrophobicContact CE1-CG 4.29Å; F821-P1033 HydrophobicContact CE2-CB 3.75Å; F821-P1033 HydrophobicContact CE2-CG 3.6Å; F821-P1033 HydrophobicContact CG-CB 4.21Å; F821-P1033 HydrophobicContact CZ-CB 3.95Å; F821-P1033 HydrophobicContact CZ-CG 3.59Å; P1033-F1035 VanDerWaalsContact C-N 3.29Å; P1033-F1035 PolarHBondContact O-N 3.03Å; P1033-V1036 WeakPolarHBondContact O-CB 3.36Å; P1033-V1036 PolarHBondContact O-N 2.84Å
1034	P	62.9	Low	66.8	Low	18 Å²	18	66 Å²	66	12%	0.117	33%	0.332	C	S	.	.	H	α-helix	trans	-64.2	-30.2	177.5	22.4	-34.4	0	0	0	113.8	Y817 A820 F821 P1032	Y817-P1034 HydrophobicContact CE2-CB 4.26Å; Y817-P1034 HydrophobicContact CE2-CG 3.85Å; A820-P1034 HydrophobicContact CB-CB 4.49Å; F821-P1034 HydrophobicContact CD2-CG 4.49Å; P1032-P1034 VanDerWaalsContact C-N 3.29Å; P1032-P1034 HydrophobicContact CB-CG 4.19Å; P1032-P1034 WeakPolarHBondContact O-CD 3.46Å
1035	F	67.4	Low	67.1	Low	113 Å²	113	65.4 Å²	65.4	50%	0.496	34%	0.336	S	S	.	.	H	α-helix	trans	-89.9	-11.9	-179.8	-58.6	-70	0	0	0	113.3	L1031 P1032 P1033 L1037 V1038 V1039	L1031-F1035 HydrophobicContact CB-CB 4.02Å; L1031-F1035 HydrophobicContact CD1-CB 4.47Å; L1031-F1035 HydrophobicContact CD2-CB 3.78Å; L1031-F1035 HydrophobicContact CD2-CG 4.34Å; L1031-F1035 HydrophobicContact CG-CB 4.27Å; P1032-F1035 HydrophobicContact CB-CD2 3.91Å; P1032-F1035 HydrophobicContact CB-CE2 4.4Å; P1032-F1035 HydrophobicContact CG-CD2 3.85Å; P1032-F1035 HydrophobicContact CG-CE2 4.2Å; P1032-F1035 PolarHBondContact O-N 2.88Å; P1033-F1035 VanDerWaalsContact C-N 3.29Å; P1033-F1035 PolarHBondContact O-N 3.03Å; F1035-L1037 PolarHBondContact O-N 3.01Å; F1035-V1038 WeakPolarHBondContact O-CB 3.41Å; F1035-V1038 PolarHBondContact O-N 3.06Å; F1035-V1039 PolarHBondContact O-N 3.48Å
1036	V	68	Low	67.5	Low	2 Å²	2	70 Å²	70	1%	0.012	35%	0.353	C	S	.	.	H	α-helix	trans	-60.6	-31.6	174.9	171.9	0	0	0	0	111.1	L828 L1031 P1032 P1033 V1038 V1039 H1040	L828-V1036 HydrophobicContact CD1-CG1 4.24Å; L828-V1036 HydrophobicContact CD1-CG2 4.45Å; L828-V1036 HydrophobicContact CD2-CG1 3.77Å; L828-V1036 HydrophobicContact CG-CG1 3.89Å; L1031-V1036 HydrophobicContact CB-CG2 4.32Å; L1031-V1036 WeakPolarHBondContact O-CG2 3.45Å; P1032-V1036 PolarHBondContact O-N 3.31Å; P1033-V1036 WeakPolarHBondContact O-CB 3.36Å; P1033-V1036 PolarHBondContact O-N 2.84Å; V1036-V1038 VanDerWaalsContact C-N 3.28Å; V1036-V1038 PolarHBondContact O-N 2.91Å; V1036-V1039 PolarHBondContact O-N 3.38Å; V1036-V1039 VanDerWaalsContact O-N 3.13Å; V1036-H1040 WeakPolarHBondContact CG1-CD2 3.23Å; V1036-H1040 WeakPolarHBondContact CG1-NE2 3.46Å; V1036-H1040 PolarHBondContact O-CD2 2.79Å; V1036-H1040 PolarHBondContact O-N 3.48Å
1037	L	68.3	Low	67.8	Low	38 Å²	38	72.6 Å²	72.6	20%	0.199	36%	0.361	C	S	.	.	H	α-helix	trans	-57.1	-40.4	172.7	-66.2	173.3	0	0	0	112.2	A820 L823 F1035 V1039 H1040 L1041	A820-L1037 HydrophobicContact CB-CD1 4.41Å; L823-L1037 HydrophobicContact CD2-CD1 4.09Å; L823-L1037 HydrophobicContact CD2-CD2 4.29Å; L823-L1037 HydrophobicContact CG-CD1 4.48Å; L823-L1037 HydrophobicContact CG-CD2 4.22Å; F1035-L1037 PolarHBondContact O-N 3.01Å; L1037-V1039 VanDerWaalsContact C-N 3.34Å; L1037-V1039 PolarHBondContact O-N 3.46Å; L1037-H1040 PolarHBondContact O-N 3.39Å; L1037-L1041 WeakPolarHBondContact O-CB 3.28Å; L1037-L1041 VanDerWaalsContact O-CG 3.24Å; L1037-L1041 WeakPolarHBondContact O-CG 3.39Å; L1037-L1041 PolarHBondContact O-N 2.79Å
1038	V	74.9	Confident	68.5	Low	95 Å²	95	72.8 Å²	72.8	58%	0.576	37%	0.367	S	S	*	.	H	α-helix	trans	-65.9	-38.9	178.1	-177.4	0	0	0	0	110.8	F1035 V1036 L1041 F1042	F1035-V1038 WeakPolarHBondContact O-CB 3.41Å; F1035-V1038 PolarHBondContact O-N 3.06Å; V1036-V1038 VanDerWaalsContact C-N 3.28Å; V1036-V1038 PolarHBondContact O-N 2.91Å; V1038-L1041 PolarHBondContact O-N 2.82Å; V1038-F1042 VanDerWaalsContact O-CB 3.31Å; V1038-F1042 WeakPolarHBondContact O-CB 3.35Å; V1038-F1042 PolarHBondContact O-N 3.28Å
1039	V	70.1	Confident	69	Low	28 Å²	28	72.1 Å²	72.1	17%	0.17	37%	0.371	C	S	.	.	H	α-helix	trans	-66.2	-45.6	176.2	177.7	0	0	0	0	111.3	L1031 F1035 V1036 L1037 L1041 F1042 Q1043	L1031-V1039 HydrophobicContact CD1-CG2 3.18Å; F1035-V1039 PolarHBondContact O-N 3.48Å; V1036-V1039 PolarHBondContact O-N 3.38Å; V1036-V1039 VanDerWaalsContact O-N 3.13Å; L1037-V1039 VanDerWaalsContact C-N 3.34Å; L1037-V1039 PolarHBondContact O-N 3.46Å; V1039-L1041 VanDerWaalsContact C-N 3.32Å; V1039-L1041 PolarHBondContact O-N 2.82Å; V1039-F1042 PolarHBondContact O-N 3.22Å; V1039-Q1043 HydrophobicContact CG1-CG 4.17Å; V1039-Q1043 WeakPolarHBondContact O-CB 3.24Å; V1039-Q1043 VanDerWaalsContact O-CG 3.3Å; V1039-Q1043 WeakPolarHBondContact O-CG 3.33Å; V1039-Q1043 PolarHBondContact O-N 2.78Å
1040	H	68.3	Low	69.5	Low	36 Å²	36	76.4 Å²	76.4	17%	0.167	38%	0.38	C	S	.	.	H	α-helix	trans	-63.8	-40.2	177.6	-70.8	-57.4	0	0	0	111.5	D831 V1036 L1037 Q1043 L1044	D831-H1040 IonicContact OD2-CE1 3.77Å; D831-H1040 PolarHBondContact OD2-CE1 3.45Å; D831-H1040 IonicContact OD2-ND1 3.21Å; D831-H1040 IonicContact OD2-NE2 3.55Å; V1036-H1040 WeakPolarHBondContact CG1-CD2 3.23Å; V1036-H1040 WeakPolarHBondContact CG1-NE2 3.46Å; V1036-H1040 PolarHBondContact O-CD2 2.79Å; V1036-H1040 PolarHBondContact O-N 3.48Å; L1037-H1040 PolarHBondContact O-N 3.39Å; H1040-Q1043 PolarHBondContact O-N 3.48Å; H1040-L1044 WeakPolarHBondContact O-CB 3.45Å; H1040-L1044 PolarHBondContact O-N 2.85Å
1041	L	75.4	Confident	69.8	Low	119 Å²	119	77.4 Å²	77.4	62%	0.623	38%	0.38	S	S	*	.	H	α-helix	trans	-63.1	-40.9	173.4	-71.8	171.7	0	0	0	111.8	L1037 V1038 V1039 L1044 G1045	L1037-L1041 WeakPolarHBondContact O-CB 3.28Å; L1037-L1041 VanDerWaalsContact O-CG 3.24Å; L1037-L1041 WeakPolarHBondContact O-CG 3.39Å; L1037-L1041 PolarHBondContact O-N 2.79Å; V1038-L1041 PolarHBondContact O-N 2.82Å; V1039-L1041 VanDerWaalsContact C-N 3.32Å; V1039-L1041 PolarHBondContact O-N 2.82Å; L1041-L1044 PolarHBondContact O-N 2.92Å; L1041-G1045 PolarHBondContact O-N 3.4Å
1042	F	77.7	Confident	69.8	Low	138 Å²	138	81.8 Å²	81.8	61%	0.605	40%	0.403	S	S	*	.	H	α-helix	trans	-66.3	-42.8	175.4	179.3	-101	0	0	0	112.4	V1038 V1039 G1045 R1046	V1038-F1042 VanDerWaalsContact O-CB 3.31Å; V1038-F1042 WeakPolarHBondContact O-CB 3.35Å; V1038-F1042 PolarHBondContact O-N 3.28Å; V1039-F1042 PolarHBondContact O-N 3.22Å; F1042-G1045 PolarHBondContact O-N 2.83Å; F1042-R1046 WeakPolarHBondContact O-CB 3.3Å; F1042-R1046 PolarHBondContact O-N 2.98Å
1043	Q	71.5	Confident	69.7	Low	110 Å²	110	84.3 Å²	84.3	51%	0.514	42%	0.42	S	S	.	.	H	α-helix	trans	-66.6	-39.8	176.2	-73.1	-179.6	3.6	0	0	111.6	V1039 H1040 R1046 Y1047	V1039-Q1043 HydrophobicContact CG1-CG 4.17Å; V1039-Q1043 WeakPolarHBondContact O-CB 3.24Å; V1039-Q1043 VanDerWaalsContact O-CG 3.3Å; V1039-Q1043 WeakPolarHBondContact O-CG 3.33Å; V1039-Q1043 PolarHBondContact O-N 2.78Å; H1040-Q1043 PolarHBondContact O-N 3.48Å; Q1043-R1046 PolarHBondContact O-N 3.41Å; Q1043-Y1047 VanDerWaalsContact O-CB 3.25Å; Q1043-Y1047 WeakPolarHBondContact O-CB 3.25Å; Q1043-Y1047 PolarHBondContact O-N 3.33Å
1044	L	74	Confident	69	Low	107 Å²	107	92.5 Å²	92.5	56%	0.56	45%	0.449	S	S	*	.	H	α-helix	trans	-65.7	-43.2	174	-170.2	115	0	0	0	110.7	H1040 L1041 Y1047 C1048	H1040-L1044 WeakPolarHBondContact O-CB 3.45Å; H1040-L1044 PolarHBondContact O-N 2.85Å; L1041-L1044 PolarHBondContact O-N 2.92Å; L1044-Y1047 WeakPolarHBondContact O-CB 3.31Å; L1044-Y1047 PolarHBondContact O-N 3.2Å; L1044-C1048 WeakPolarHBondContact O-CB 3.4Å; L1044-C1048 PolarHBondContact O-N 3.07Å; L1044-C1048 PolarHBondContact O-SG 3.33Å; L1044-C1048 VanDerWaalsContact O-SG 3.32Å
1045	G	76.6	Confident	68.1	Low	30 Å²	30	96.9 Å²	96.9	31%	0.309	48%	0.479	S	S	.	.	H	α-helix	trans	-58.9	-49.5	172.6	0	0	0	0	0	111.7	L1041 F1042 Y1047 C1048 C1049	L1041-G1045 PolarHBondContact O-N 3.4Å; F1042-G1045 PolarHBondContact O-N 2.83Å; G1045-Y1047 VanDerWaalsContact C-N 3.28Å; G1045-Y1047 PolarHBondContact O-N 3.03Å; G1045-C1048 PolarHBondContact O-N 3.23Å; G1045-C1049 WeakPolarHBondContact O-CB 3.14Å; G1045-C1049 PolarHBondContact O-N 3.37Å; G1045-C1049 PolarHBondContact O-SG 3.23Å
1046	R	77.5	Confident	66.7	Low	133 Å²	133	99 Å²	99	50%	0.502	50%	0.495	S	S	.	.	H	α-helix	trans	-61.7	-35.3	175.2	-169.8	179.4	173.2	111.8	-7.1	111.9	F1042 Q1043 R1050	F1042-R1046 WeakPolarHBondContact O-CB 3.3Å; F1042-R1046 PolarHBondContact O-N 2.98Å; Q1043-R1046 PolarHBondContact O-N 3.41Å; R1046-R1050 VanDerWaalsContact O-CB 3.22Å; R1046-R1050 WeakPolarHBondContact O-CB 3.43Å; R1046-R1050 WeakPolarHBondContact O-CG 3.46Å; R1046-R1050 PolarHBondContact O-N 2.9Å
1047	Y	71.3	Confident	65.1	Low	120 Å²	120	108 Å²	108	47%	0.471	53%	0.534	S	S	.	.	H	α-helix	trans	-68.8	-46.1	175.4	-179.9	-99.8	0	0	0	112	Q1043 L1044 G1045 R1050 R1051	Q1043-Y1047 VanDerWaalsContact O-CB 3.25Å; Q1043-Y1047 WeakPolarHBondContact O-CB 3.25Å; Q1043-Y1047 PolarHBondContact O-N 3.33Å; L1044-Y1047 WeakPolarHBondContact O-CB 3.31Å; L1044-Y1047 PolarHBondContact O-N 3.2Å; G1045-Y1047 VanDerWaalsContact C-N 3.28Å; G1045-Y1047 PolarHBondContact O-N 3.03Å; Y1047-R1050 PolarHBondContact O-N 3.28Å; Y1047-R1051 HydrophobicContact CE1-CG 4.29Å; Y1047-R1051 PolarHBondContact O-N 2.97Å; Y1047-R1051 PolarHBondContact OH-NE 3.33Å; Y1047-R1051 PolarHBondContact OH-NH2 3.14Å
1048	C	75.2	Confident	63.4	Low	55 Å²	55	112 Å²	112	37%	0.372	56%	0.56	S	S	.	*	H	α-helix	trans	-62.7	-47.4	175.3	-72	0	0	0	0	111	L1044 G1045 R1050 R1051 L1052	L1044-C1048 WeakPolarHBondContact O-CB 3.4Å; L1044-C1048 PolarHBondContact O-N 3.07Å; L1044-C1048 PolarHBondContact O-SG 3.33Å; L1044-C1048 VanDerWaalsContact O-SG 3.32Å; G1045-C1048 PolarHBondContact O-N 3.23Å; C1048-R1050 VanDerWaalsContact C-N 3.33Å; C1048-R1050 PolarHBondContact O-N 3.1Å; C1048-R1051 PolarHBondContact O-N 3.49Å; C1048-R1051 VanDerWaalsContact O-N 3.16Å; C1048-L1052 WeakPolarHBondContact O-CB 3.34Å; C1048-L1052 WeakPolarHBondContact O-CD1 3.22Å; C1048-L1052 VanDerWaalsContact O-CG 3.3Å; C1048-L1052 WeakPolarHBondContact O-CG 3.17Å; C1048-L1052 PolarHBondContact O-N 3.44Å
1049	C	73.7	Confident	61.3	Low	76 Å²	76	116.7 Å²	116.7	51%	0.514	57%	0.572	S	S	.	*	H	α-helix	trans	-59.1	-42.1	173.3	-66.8	0	0	0	0	111.6	G1045 R1051 L1052 C1053	G1045-C1049 WeakPolarHBondContact O-CB 3.14Å; G1045-C1049 PolarHBondContact O-N 3.37Å; G1045-C1049 PolarHBondContact O-SG 3.23Å; C1049-R1051 PolarHBondContact O-N 3.17Å; C1049-L1052 PolarHBondContact O-N 2.87Å; C1049-C1053 VanDerWaalsContact O-CB 3.25Å; C1049-C1053 WeakPolarHBondContact O-CB 3.23Å; C1049-C1053 PolarHBondContact O-N 3.34Å; C1049-C1053 PolarHBondContact O-SG 3.01Å
1050	R	68.9	Low	59.3	Low	139 Å²	139	126.7 Å²	126.7	53%	0.525	61%	0.607	S	S	.	*	H	α-helix	trans	-67.4	-33.3	175.7	-79.5	173.8	171.6	-170.7	-7.9	113.3	R1046 Y1047 C1048 R1054	R1046-R1050 VanDerWaalsContact O-CB 3.22Å; R1046-R1050 WeakPolarHBondContact O-CB 3.43Å; R1046-R1050 WeakPolarHBondContact O-CG 3.46Å; R1046-R1050 PolarHBondContact O-N 2.9Å; Y1047-R1050 PolarHBondContact O-N 3.28Å; C1048-R1050 VanDerWaalsContact C-N 3.33Å; C1048-R1050 PolarHBondContact O-N 3.1Å; R1050-R1054 WeakPolarHBondContact O-CB 3.2Å; R1050-R1054 VanDerWaalsContact O-CG 3.23Å; R1050-R1054 WeakPolarHBondContact O-CG 3.42Å; R1050-R1054 PolarHBondContact O-N 2.59Å
1051	R	61.9	Low	57.4	Low	162 Å²	162	129.2 Å²	129.2	61%	0.611	63%	0.625	S	S	*	*	H	α-helix	trans	-72.3	-43.5	174.3	-96.5	-170.4	167.4	174.9	-1.9	111.5	Y1047 C1048 C1049 R1054	Y1047-R1051 HydrophobicContact CE1-CG 4.29Å; Y1047-R1051 PolarHBondContact O-N 2.97Å; Y1047-R1051 PolarHBondContact OH-NE 3.33Å; Y1047-R1051 PolarHBondContact OH-NH2 3.14Å; C1048-R1051 PolarHBondContact O-N 3.49Å; C1048-R1051 VanDerWaalsContact O-N 3.16Å; C1049-R1051 PolarHBondContact O-N 3.17Å; R1051-R1054 PolarHBondContact O-N 3.21Å
1052	L	60.6	Low	55.2	Low	138 Å²	138	131.1 Å²	131.1	72%	0.723	64%	0.636	S	S	*	*	H	α-helix	trans	-66.9	-40.4	178.1	-72.2	161.1	0	0	0	111.7	C1048 C1049 R1054	C1048-L1052 WeakPolarHBondContact O-CB 3.34Å; C1048-L1052 WeakPolarHBondContact O-CD1 3.22Å; C1048-L1052 VanDerWaalsContact O-CG 3.3Å; C1048-L1052 WeakPolarHBondContact O-CG 3.17Å; C1048-L1052 PolarHBondContact O-N 3.44Å; C1049-L1052 PolarHBondContact O-N 2.87Å; L1052-R1054 VanDerWaalsContact C-N 3.34Å; L1052-R1054 PolarHBondContact O-N 3.47Å
1053	C	56	Low	53	Low	95 Å²	95	132 Å²	132	64%	0.642	65%	0.646	S	S	*	*	H	α-helix	trans	-76.9	-14.7	175.7	-64.7	0	0	0	0	114.1	C1049	C1049-C1053 VanDerWaalsContact O-CB 3.25Å; C1049-C1053 WeakPolarHBondContact O-CB 3.23Å; C1049-C1053 PolarHBondContact O-N 3.34Å; C1049-C1053 PolarHBondContact O-SG 3.01Å
1054	R	49.4	Very low	51	Low	191 Å²	191	129.5 Å²	129.5	72%	0.721	64%	0.641	S	S	*	*	G	3₁₀ helix	trans	-81.5	-8.9	-179.8	-95.3	-179.5	178.6	-176.8	-1.1	114.7	R1050 R1051 L1052 N1056	R1050-R1054 WeakPolarHBondContact O-CB 3.2Å; R1050-R1054 VanDerWaalsContact O-CG 3.23Å; R1050-R1054 WeakPolarHBondContact O-CG 3.42Å; R1050-R1054 PolarHBondContact O-N 2.59Å; R1051-R1054 PolarHBondContact O-N 3.21Å; L1052-R1054 VanDerWaalsContact C-N 3.34Å; L1052-R1054 PolarHBondContact O-N 3.47Å; R1054-N1056 PolarHBondContact O-N 3.37Å
1055	C	44	Very low	48.9	Very low	110 Å²	110	129.1 Å²	129.1	74%	0.743	64%	0.639	S	S	*	*	G	3₁₀ helix	trans	-71.7	-13.7	173.4	-73.4	0	0	0	0	113.7
1056	N	38.1	Very low	46.6	Very low	157 Å²	157	130.7 Å²	130.7	84%	0.84	65%	0.645	S	S	*	*	G	3₁₀ helix	trans	-111.8	10.1	-176.8	-100.2	-0.7	0	0	0	116.3	R1054	R1054-N1056 PolarHBondContact O-N 3.37Å
1057	K	33.3	Very low	44.4	Very low	192 Å²	192	131.5 Å²	131.5	84%	0.835	65%	0.652	S	S	*	*			trans	-133.4	75.4	173	-78.1	-173.5	178.3	177.8	0	111.4
1058	V	32.8	Very low	42.3	Very low	122 Å²	122	131 Å²	131	74%	0.739	66%	0.657	S	S	*	*			trans	-94.2	134.7	157.3	175.3	0	0	0	0	106.8
1059	K	29.9	Very low	40.1	Very low	192 Å²	192	132.1 Å²	132.1	84%	0.835	67%	0.665	S	S	*	*	S	Bend	trans	86.2	129.9	-178.6	-60.8	163.4	178.8	-179.7	0	115.3
1060	R	28.4	Very low	38	Very low	238 Å²	238	132.1 Å²	132.1	90%	0.898	67%	0.667	S	S	*	*	S	Bend	trans	72.8	85.8	-174.4	-73	-179.4	174.1	148.3	-1.4	115.1
1061	T	29.2	Very low	36.1	Very low	89 Å²	89	134.1 Å²	134.1	55%	0.546	67%	0.674	S	S	.	*			trans	175.7	49.7	138.2	30.9	0	0	0	0	111.2	L1063 S1064	T1061-L1063 PolarHBondContact O-N 2.93Å; T1061-S1064 WeakPolarHBondContact CB-OG 3.3Å; T1061-S1064 WeakPolarHBondContact CG2-OG 3.38Å
1062	D	29.8	Very low	34.7	Very low	159 Å²	159	131.7 Å²	131.7	85%	0.85	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	-3.8	173	-72.2	-43.9	0	0	0	113.4
1063	L	31.1	Very low	33.4	Very low	158 Å²	158	127.5 Å²	127.5	83%	0.827	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.3	-16.5	-178	-139.6	76.9	0	0	0	114.8	T1061 S1066	T1061-L1063 PolarHBondContact O-N 2.93Å; L1063-S1066 PolarHBondContact O-OG 3.31Å
1064	S	30.2	Very low	32.4	Very low	57 Å²	57	126.4 Å²	126.4	40%	0.399	64%	0.644	S	S	.	*	T	Hydrogen-bonded Turn	trans	-101.3	-14.2	-179.5	57.7	0	0	0	0	113.8	T1061 L1068	T1061-S1064 WeakPolarHBondContact CB-OG 3.3Å; T1061-S1064 WeakPolarHBondContact CG2-OG 3.38Å; S1064-L1068 PolarHBondContact O-N 3.47Å
1065	L	28.9	Very low	31.5	Very low	99 Å²	99	120.9 Å²	120.9	52%	0.518	63%	0.629	S	S	.	*	H	α-helix	trans	-78.2	-17.4	177.1	-103	142.6	0	0	0	113.7	S1069	L1065-S1069 PolarHBondContact O-N 2.79Å
1066	S	29.3	Very low	30.9	Very low	63 Å²	63	116.4 Å²	116.4	44%	0.441	60%	0.6	S	S	.	*	H	α-helix	trans	-70	-41.5	169.9	58	0	0	0	0	111.4	L1063 L1068 S1069	L1063-S1066 PolarHBondContact O-OG 3.31Å; S1066-L1068 VanDerWaalsContact C-N 3.35Å; S1066-L1068 PolarHBondContact O-N 3.09Å; S1066-S1069 PolarHBondContact O-N 3.19Å; S1066-S1069 PolarHBondContact O-OG 3.32Å
1067	K	29.3	Very low	30.6	Very low	149 Å²	149	111.1 Å²	111.1	65%	0.648	58%	0.575	S	S	*	*	H	α-helix	trans	-73	-18.2	175.3	-78.8	-176.2	177.3	180	0	114.5	S1070 R1071	K1067-S1070 PolarHBondContact O-OG 3.24Å; K1067-R1071 WeakPolarHBondContact O-CD 3.3Å; K1067-R1071 WeakPolarHBondContact O-CG 3.36Å; K1067-R1071 PolarHBondContact O-NE 3.26Å
1068	L	27.9	Very low	30.7	Very low	110 Å²	110	103.5 Å²	103.5	58%	0.576	54%	0.541	S	S	*	.	H	α-helix	trans	-91.3	-22.1	173.6	-114.8	94.3	0	0	0	113.2	S1064 S1066 S1070 R1071	S1064-L1068 PolarHBondContact O-N 3.47Å; S1066-L1068 VanDerWaalsContact C-N 3.35Å; S1066-L1068 PolarHBondContact O-N 3.09Å; L1068-S1070 VanDerWaalsContact C-N 3.27Å; L1068-R1071 PolarHBondContact O-N 2.8Å
1069	S	28.9	Very low	30.7	Very low	78 Å²	78	100.1 Å²	100.1	55%	0.545	53%	0.526	S	S	.	.	H	α-helix	trans	-74.9	-18.2	174.8	76.2	0	0	0	0	113.4	L1065 S1066	L1065-S1069 PolarHBondContact O-N 2.79Å; S1066-S1069 PolarHBondContact O-N 3.19Å; S1066-S1069 PolarHBondContact O-OG 3.32Å
1070	S	31.1	Very low	30.9	Very low	77 Å²	77	94.8 Å²	94.8	54%	0.538	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-3.7	171.3	54	0	0	0	0	113.7	K1067 L1068	K1067-S1070 PolarHBondContact O-OG 3.24Å; L1068-S1070 VanDerWaalsContact C-N 3.27Å
1071	R	29	Very low	31.2	Very low	180 Å²	180	83.5 Å²	83.5	68%	0.679	46%	0.463	S	S	*	.			trans	-102.3	30.6	-178.3	-69.7	178.1	-176.8	-159.2	-2.9	113.1	K1067 L1068	K1067-R1071 WeakPolarHBondContact O-CD 3.3Å; K1067-R1071 WeakPolarHBondContact O-CG 3.36Å; K1067-R1071 PolarHBondContact O-NE 3.26Å; L1068-R1071 PolarHBondContact O-N 2.8Å
1072	L	32	Very low	31.6	Very low	111 Å²	111	82.6 Å²	82.6	58%	0.581	45%	0.451	S	S	*	.			trans	-91.2	101.5	167.8	-90.4	145.2	0	0	0	105.9	A1076	L1072-A1076 HydrophobicContact CB-CB 3.64Å; L1072-A1076 HydrophobicContact CD2-CB 3.4Å; L1072-A1076 VanDerWaalsContact CD2-CB 3.4Å; L1072-A1076 HydrophobicContact CG-CB 4.13Å
1073	T	33	Very low	31.7	Very low	51 Å²	51	80 Å²	80	31%	0.313	43%	0.43	S	S	.	.			trans	-30	154.2	177.1	48	0	0	0	0	114.3	L1075 A1076 C1077	T1073-L1075 PolarHBondContact O-N 3.16Å; T1073-A1076 WeakPolarHBondContact O-CB 3.48Å; T1073-A1076 PolarHBondContact O-N 2.85Å; T1073-C1077 PolarHBondContact O-N 3.47Å
1074	P	34.5	Very low	31.8	Very low	71 Å²	71	75 Å²	75	46%	0.461	40%	0.404	S	S	.	.	H	α-helix	trans	-48.5	-26.4	171.7	15.1	-27.5	0	0	0	113	A692 C1077 Y1078	A692-P1074 HydrophobicContact CB-CG 3.99Å; P1074-C1077 PolarHBondContact O-N 3.4Å; P1074-Y1078 PolarHBondContact O-N 2.81Å
1075	L	31.7	Very low	32.1	Very low	75 Å²	75	74.8 Å²	74.8	39%	0.393	40%	0.398	S	S	.	.	H	α-helix	trans	-61.7	-38.6	169.9	-80.3	125.8	0	0	0	115.5	Q1027 T1073 Y1078 A1079	Q1027-L1075 HydrophobicContact CG-CD2 4.41Å; T1073-L1075 PolarHBondContact O-N 3.16Å; L1075-Y1078 PolarHBondContact O-N 3.31Å; L1075-A1079 WeakPolarHBondContact O-CB 3.43Å; L1075-A1079 PolarHBondContact O-N 3.48Å
1076	A	30.5	Very low	32.4	Very low	16 Å²	16	70.9 Å²	70.9	13%	0.132	38%	0.377	C	S	.	.	H	α-helix	trans	-74.1	-32.8	177.5	0	0	0	0	0	112.6	L1072 T1073 Y1078 A1079 I1080	L1072-A1076 HydrophobicContact CB-CB 3.64Å; L1072-A1076 HydrophobicContact CD2-CB 3.4Å; L1072-A1076 VanDerWaalsContact CD2-CB 3.4Å; L1072-A1076 HydrophobicContact CG-CB 4.13Å; T1073-A1076 WeakPolarHBondContact O-CB 3.48Å; T1073-A1076 PolarHBondContact O-N 2.85Å; A1076-Y1078 VanDerWaalsContact C-N 3.26Å; A1076-Y1078 PolarHBondContact O-N 3.5Å; A1076-A1079 PolarHBondContact O-N 2.95Å; A1076-I1080 WeakPolarHBondContact O-CB 3.4Å; A1076-I1080 WeakPolarHBondContact O-CD1 3.3Å; A1076-I1080 WeakPolarHBondContact O-CG1 3.46Å; A1076-I1080 PolarHBondContact O-N 3.38Å
1077	C	32.2	Very low	32.7	Very low	46 Å²	46	74.5 Å²	74.5	31%	0.311	38%	0.382	S	S	.	.	H	α-helix	trans	-66.1	-29	172.7	-85.9	0	0	0	0	112.3	K621 T1073 P1074 F1081	K621-C1077 PolarHBondContact NZ-O 3.35Å; T1073-C1077 PolarHBondContact O-N 3.47Å; P1074-C1077 PolarHBondContact O-N 3.4Å; C1077-F1081 VanDerWaalsContact O-CB 3.32Å; C1077-F1081 WeakPolarHBondContact O-CB 3.34Å; C1077-F1081 PolarHBondContact O-N 2.67Å; C1077-F1081 VanDerWaalsContact O-N 3.16Å
1078	Y	35.4	Very low	32.8	Very low	33 Å²	33	69.2 Å²	69.2	13%	0.129	36%	0.361	C	S	.	.	H	α-helix	trans	-85.1	-32.7	173.4	-160.5	-81.6	0	0	0	113	F1019 M1023 P1074 L1075 A1076 I1080 F1081 K1082	F1019-Y1078 HydrophobicContact CZ-CE2 4.44Å; M1023-Y1078 HydrophobicContact CB-CE1 3.95Å; M1023-Y1078 HydrophobicContact CB-CE2 4.46Å; M1023-Y1078 VanDerWaalsContact CB-OH 3.22Å; M1023-Y1078 WeakPolarHBondContact CB-OH 3.41Å; M1023-Y1078 HydrophobicContact CE-CD2 4.14Å; M1023-Y1078 HydrophobicContact CE-CE1 4.39Å; M1023-Y1078 HydrophobicContact CE-CE2 3.95Å; M1023-Y1078 HydrophobicContact CE-CG 4.47Å; M1023-Y1078 HydrophobicContact CG-CE2 4.21Å; M1023-Y1078 WeakPolarHBondContact CG-OH 3.27Å; P1074-Y1078 PolarHBondContact O-N 2.81Å; L1075-Y1078 PolarHBondContact O-N 3.31Å; A1076-Y1078 VanDerWaalsContact C-N 3.26Å; A1076-Y1078 PolarHBondContact O-N 3.5Å; Y1078-I1080 VanDerWaalsContact C-N 3.26Å; Y1078-I1080 PolarHBondContact O-N 3.24Å; Y1078-F1081 AromaticContact CD2-CD1 3.94Å; Y1078-F1081 HydrophobicContact CD2-CD1 3.94Å; Y1078-F1081 HydrophobicContact CD2-CE1 4.39Å; Y1078-F1081 HydrophobicContact CD2-CG 4.46Å; Y1078-F1081 AromaticContact CE2-CD1 3.79Å; Y1078-F1081 HydrophobicContact CE2-CD1 3.79Å; Y1078-F1081 AromaticContact CE2-CE1 3.92Å; Y1078-F1081 HydrophobicContact CE2-CE1 3.92Å; Y1078-F1081 HydrophobicContact CG-CB 4.43Å; Y1078-F1081 HydrophobicContact CG-CD1 4.44Å; Y1078-F1081 CarbonylContact O-C 3.52Å; Y1078-F1081 WeakPolarHBondContact O-CA 3.33Å; Y1078-F1081 WeakPolarHBondContact O-CB 3.36Å; Y1078-F1081 PolarHBondContact O-N 3.37Å; Y1078-K1082 PolarHBondContact O-N 3.37Å
1079	A	32.8	Very low	33	Very low	51 Å²	51	69 Å²	69	42%	0.421	36%	0.361	S	S	.	.	H	α-helix	trans	-64.7	-31.2	170.1	0	0	0	0	0	112.5	L1075 A1076 R1083	L1075-A1079 WeakPolarHBondContact O-CB 3.43Å; L1075-A1079 PolarHBondContact O-N 3.48Å; A1076-A1079 PolarHBondContact O-N 2.95Å; A1079-R1083 PolarHBondContact O-N 3.3Å
1080	I	33.3	Very low	33	Very low	79 Å²	79	73.4 Å²	73.4	41%	0.405	39%	0.39	S	S	.	.	H	α-helix	trans	-74.7	-29.5	168.8	-66.3	165.6	0	0	0	111.3	A1076 Y1078 R1083 N1084	A1076-I1080 WeakPolarHBondContact O-CB 3.4Å; A1076-I1080 WeakPolarHBondContact O-CD1 3.3Å; A1076-I1080 WeakPolarHBondContact O-CG1 3.46Å; A1076-I1080 PolarHBondContact O-N 3.38Å; Y1078-I1080 VanDerWaalsContact C-N 3.26Å; Y1078-I1080 PolarHBondContact O-N 3.24Å; I1080-R1083 WeakPolarHBondContact O-CB 3.39Å; I1080-R1083 PolarHBondContact O-N 3.32Å; I1080-N1084 PolarHBondContact O-N 3.29Å; I1080-N1084 PolarHBondContact O-ND2 3.16Å
1081	F	35.5	Very low	33.1	Very low	1 Å²	1	73.3 Å²	73.3	0%	0.004	38%	0.382	C	S	.	.	H	α-helix	trans	-70.1	-43.5	177.3	-168.2	-103.1	0	0	0	112.7	G453 K621 S625 A628 L629 C1077 Y1078 R1083 N1084 I1085	G453-F1081 WeakPolarHBondContact O-CA 3.49Å; G453-F1081 WeakPolarHBondContact O-CD2 3.33Å; K621-F1081 HydrophobicContact CD-CD2 4.21Å; K621-F1081 HydrophobicContact CD-CE2 4.21Å; K621-F1081 VanDerWaalsContact NZ-CD2 3.28Å; S625-F1081 VanDerWaalsContact O-CZ 3.24Å; S625-F1081 WeakPolarHBondContact O-CZ 3.38Å; A628-F1081 HydrophobicContact CB-CE1 4.37Å; A628-F1081 HydrophobicContact CB-CZ 4.34Å; L629-F1081 HydrophobicContact CD1-CD2 4.44Å; L629-F1081 HydrophobicContact CD1-CE2 3.63Å; L629-F1081 HydrophobicContact CD1-CZ 4.31Å; L629-F1081 HydrophobicContact CD2-CD2 3.73Å; L629-F1081 HydrophobicContact CD2-CE1 4.22Å; L629-F1081 HydrophobicContact CD2-CE2 3.16Å; L629-F1081 HydrophobicContact CD2-CG 4.49Å; L629-F1081 HydrophobicContact CD2-CZ 3.41Å; L629-F1081 VanDerWaalsContact CD2-CZ 3.41Å; L629-F1081 HydrophobicContact CG-CD2 4.21Å; L629-F1081 HydrophobicContact CG-CE2 3.22Å; L629-F1081 HydrophobicContact CG-CZ 3.44Å; L629-F1081 VanDerWaalsContact CG-CZ 3.44Å; C1077-F1081 VanDerWaalsContact O-CB 3.32Å; C1077-F1081 WeakPolarHBondContact O-CB 3.34Å; C1077-F1081 PolarHBondContact O-N 2.67Å; C1077-F1081 VanDerWaalsContact O-N 3.16Å; Y1078-F1081 AromaticContact CD2-CD1 3.94Å; Y1078-F1081 HydrophobicContact CD2-CD1 3.94Å; Y1078-F1081 HydrophobicContact CD2-CE1 4.39Å; Y1078-F1081 HydrophobicContact CD2-CG 4.46Å; Y1078-F1081 AromaticContact CE2-CD1 3.79Å; Y1078-F1081 HydrophobicContact CE2-CD1 3.79Å; Y1078-F1081 AromaticContact CE2-CE1 3.92Å; Y1078-F1081 HydrophobicContact CE2-CE1 3.92Å; Y1078-F1081 HydrophobicContact CG-CB 4.43Å; Y1078-F1081 HydrophobicContact CG-CD1 4.44Å; Y1078-F1081 CarbonylContact O-C 3.52Å; Y1078-F1081 WeakPolarHBondContact O-CA 3.33Å; Y1078-F1081 WeakPolarHBondContact O-CB 3.36Å; Y1078-F1081 PolarHBondContact O-N 3.37Å; F1081-R1083 PolarHBondContact O-N 3.44Å; F1081-N1084 PolarHBondContact O-N 2.76Å; F1081-I1085 HydrophobicContact CD1-CD1 3.37Å; F1081-I1085 HydrophobicContact CD1-CG1 4.38Å; F1081-I1085 HydrophobicContact CE1-CD1 3.28Å; F1081-I1085 HydrophobicContact CE1-CG1 4.44Å; F1081-I1085 HydrophobicContact CG-CD1 4.11Å; F1081-I1085 HydrophobicContact CZ-CD1 3.99Å; F1081-I1085 WeakPolarHBondContact O-CG1 3.43Å; F1081-I1085 PolarHBondContact O-N 2.81Å; F1081-I1085 VanDerWaalsContact O-N 3.11Å
1082	K	36.3	Very low	33.3	Very low	70 Å²	70	67.6 Å²	67.6	30%	0.304	37%	0.366	S	S	.	.	H	α-helix	trans	-62.6	-32.3	172	-160.8	169.3	-173.6	166.6	0	111.7	D1024 Y1078 N1084	D1024-K1082 IonicContact OD1-NZ 2.59Å; D1024-K1082 PolarHBondContact OD1-NZ 3.27Å; D1024-K1082 IonicContact OD2-NZ 3.1Å; D1024-K1082 PolarHBondContact OD2-NZ 2.81Å; Y1078-K1082 PolarHBondContact O-N 3.37Å; K1082-N1084 VanDerWaalsContact C-N 3.31Å; K1082-N1084 PolarHBondContact O-N 3.42Å
1083	R	32.7	Very low	33.4	Very low	105 Å²	105	65.2 Å²	65.2	40%	0.396	35%	0.354	S	S	.	.	H	α-helix	trans	-69	-21	176.4	-103.8	177.4	172.3	168.4	-8.5	115.4	A1079 I1080 F1081	A1079-R1083 PolarHBondContact O-N 3.3Å; I1080-R1083 WeakPolarHBondContact O-CB 3.39Å; I1080-R1083 PolarHBondContact O-N 3.32Å; F1081-R1083 PolarHBondContact O-N 3.44Å
1084	N	32.5	Very low	33.4	Very low	54 Å²	54	66.1 Å²	66.1	29%	0.289	36%	0.357	S	S	.	.	H	α-helix	trans	-121.5	-9.5	-169.9	-76.7	-28.8	0	0	0	114.1	G453 G454 I1080 F1081 K1082 D1086 Y1087	G453-N1084 VanDerWaalsContact CA-C 3.49Å; G453-N1084 PolarHBondContact N-O 3.36Å; G453-N1084 VanDerWaalsContact N-O 3.1Å; G454-N1084 WeakPolarHBondContact CA-ND2 3.25Å; G454-N1084 PolarHBondContact N-ND2 3.4Å; G454-N1084 VanDerWaalsContact N-ND2 3.14Å; I1080-N1084 PolarHBondContact O-N 3.29Å; I1080-N1084 PolarHBondContact O-ND2 3.16Å; F1081-N1084 PolarHBondContact O-N 2.76Å; K1082-N1084 VanDerWaalsContact C-N 3.31Å; K1082-N1084 PolarHBondContact O-N 3.42Å; N1084-D1086 PolarHBondContact O-N 3.2Å; N1084-Y1087 PolarHBondContact O-N 3.3Å
1085	I	36.6	Very low	33.4	Very low	52 Å²	52	65.8 Å²	65.8	27%	0.267	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-67.3	-19	168	-75.3	169.7	0	0	0	111.6	L629 R844 F1081 Y1087	L629-I1085 HydrophobicContact CD2-CD1 4.16Å; L629-I1085 HydrophobicContact CD2-CG1 3.86Å; R844-I1085 PolarHBondContact NH1-O 2.95Å; F1081-I1085 HydrophobicContact CD1-CD1 3.37Å; F1081-I1085 HydrophobicContact CD1-CG1 4.38Å; F1081-I1085 HydrophobicContact CE1-CD1 3.28Å; F1081-I1085 HydrophobicContact CE1-CG1 4.44Å; F1081-I1085 HydrophobicContact CG-CD1 4.11Å; F1081-I1085 HydrophobicContact CZ-CD1 3.99Å; F1081-I1085 WeakPolarHBondContact O-CG1 3.43Å; F1081-I1085 PolarHBondContact O-N 2.81Å; F1081-I1085 VanDerWaalsContact O-N 3.11Å; I1085-Y1087 VanDerWaalsContact C-N 3.33Å
1086	D	36.3	Very low	33.5	Very low	16 Å²	16	65.1 Å²	65.1	9%	0.086	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-86.3	2.6	179.5	-69.6	-48	0	0	0	115.3	V841 R844 N1084	V841-D1086 VanDerWaalsContact CG1-OD2 3.31Å; V841-D1086 WeakPolarHBondContact CG1-OD2 3.37Å; V841-D1086 HydrophobicContact CG2-CB 4.03Å; V841-D1086 WeakPolarHBondContact CG2-OD2 3.18Å; R844-D1086 WeakPolarHBondContact CD-OD1 3.33Å; R844-D1086 IonicContact CZ-OD1 3.45Å; R844-D1086 IonicContact NE-OD1 3.57Å; R844-D1086 IonicContact NH1-OD1 2.62Å; R844-D1086 PolarHBondContact NH1-OD1 3.4Å; N1084-D1086 PolarHBondContact O-N 3.2Å
1087	Y	36.1	Very low	33.7	Very low	139 Å²	139	68.6 Å²	68.6	55%	0.545	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-93.7	-12.4	174.3	-84.7	-88	0	0	0	114.5	T837 N1084 I1085	T837-Y1087 HydrophobicContact CG2-CE2 4.48Å; N1084-Y1087 PolarHBondContact O-N 3.3Å; I1085-Y1087 VanDerWaalsContact C-N 3.33Å
1088	D	31.2	Very low	33.8	Very low	38 Å²	38	70.4 Å²	70.4	20%	0.203	37%	0.367	C	S	.	.	S	Bend	trans	-103.6	20.1	-168.6	-75.8	-1.6	0	0	0	116.4	K553 K560	K553-D1088 IonicContact NZ-OD2 3.27Å; K553-D1088 PolarHBondContact NZ-OD2 2.85Å; K560-D1088 PolarHBondContact NZ-O 3.03Å
1089	N	31.7	Very low	33.7	Very low	107 Å²	107	73.5 Å²	73.5	57%	0.572	39%	0.387	S	S	*	.			trans	-124.9	34	175.1	-92.6	-1.2	0	0	0	112.8	K560 R844	K560-N1089 PolarHBondContact NZ-OD1 3.24Å; R844-N1089 PolarHBondContact NH2-ND2 3.38Å
1090	C	29.3	Very low	33.8	Very low	170 Å²	170	75.5 Å²	75.5	100%	1.149	38%	0.384	S	S	*	.			trans	-101.8	0	154.7	-78.6	0	0	0	0	108.6

Retrieved 1,090 of 1,090 residues in 888.3 ms (Link to these results)

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