A0A061IBI6_CRIGR Loading...

26S proteasome non-ATPase regulatory subunit 2

Binds to the intracellular domain of tumor necrosis factor type 1 receptor. The binding domain of TRAP1 and TRAP2 resides outside the death domain of TNFR1. Component of the 26S proteasome, a multiprotein complex involved in the ATP-dependent degradation of ubiquitinated proteins. This complex plays a key role in the maintenance of protein homeostasis by removing misfolded or damaged proteins, which could impair cellular functions, and by removing proteins whose functions are no longer required. Therefore, the proteasome participates in numerous cellular processes, including cell cycle progression, apoptosis, or DNA damage repair.

AlphaFold DB , UniProt , Accession A0A061IBI6, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Psmd2, Length 908 aa.

						>A0A061IBI6_CRIGR|A0A061IBI6|Psmd2
MEEGGRDKTPVQSQQPSATAPAGADEKSSGKERRDAGDKDKEQELSEEDKQLQDELEMLVERLGEKDTSLYRPALEELRRQIRSSTTSMTSVPKPLKFLRPHYGKLKEIYENMAPGENKCFAADIISVLAMTMSGERECLKYRLVGSQEELASWGHEYVRHLAGEVAKEWQELDDAEKAQREPLLTLVKEIVPYNMAHNAEHEACDLLMEIEQVDMLEKDIDENAYSKVCLYLTSCVNYVPEPENSALLRCALGVFRKFSRFPEALRLALMLNDMELVEDIFTSCKDVVVQKQMAFMLGRHGVFLELSEDVEEYEDLTEIMSNVQLNSNFLALARELDIMEPKVPDDIYKTHLENNRFGGSGSQVDSARMNLASSFVNGFVNAAFGQDKLLTDDGNKWLYKNKDHGMLSAAASLGMILLWDVDGGLTQIDKYLYSSEDYIKSGALLACGIVNSGVRNECDPALALLSDYVLHNSNTMRLGSIFGLGLAYAGSNREDVLTLLLPVMGDSKSSMEVAGVTALACGMIAVGSCNGDVTSTILQTIMEKSETELKDTYARWLPLGLGLNHLGKGEAIEAILAALEVVSEPFRSFANTLVDVCAYAGSGNVLKVQQLLHICSEHFDSKDKEEDKDKKEKKDKDKKEAPADMGAHQGVAVLGIALIAMGEEIGAEMALRTFGHLLRYGEPTLRRAVPLALALISVSNPRLNILDTLSKFSHDADPEVSYNSIFAMGMVGSGTNNARLAAMLRQLAQYHAKDPNNLFMVRLAQGLTHLGKGTLTLCPYHSDRQLMSQVAVAGLLTVLVSFLDVRNIILGKSHYVLYGLVAAMQPRMLVTFDEELRPLPVSVRVGQAVDVVGQAGKPKTITGFQTHTTPVLLAHGERAELATEEFLPVTPILEGFVILRKNPNYDL
					

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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	29.9	Very low	27.4	Very low	223 Å²	223	146.5 Å²	146.5	100%	1.099	81%	0.805	S	S	*	*				0	115.1	0	-74.4	168.1	167.8	0	0	108.5
2	E	26.3	Very low	27.1	Very low	171 Å²	171	148.6 Å²	148.6	80%	0.799	80%	0.804	S	S	*	*			cis	-155.5	160.7	-12.8	-141.3	135.6	-109	0	0	111.8
3	E	27.7	Very low	26.8	Very low	187 Å²	187	145.1 Å²	145.1	87%	0.874	80%	0.798	S	S	*	*			trans	-74.7	144.6	-160.2	-57.9	171.6	147.8	0	0	115
4	G	26.5	Very low	26.6	Very low	81 Å²	81	148.6 Å²	148.6	84%	0.835	81%	0.806	S	S	*	*				66.1	126.6	106.2	0	0	0	0	0	119.8
5	G	26.2	Very low	26.4	Very low	75 Å²	75	151.1 Å²	151.1	77%	0.773	81%	0.81	S	S	*	*			trans	-148.7	43	-172.8	0	0	0	0	0	118.6
6	R	27.1	Very low	26.5	Very low	230 Å²	230	149 Å²	149	87%	0.868	81%	0.807	S	S	*	*			trans	65.8	148.3	165.2	-71.3	-179.4	-179.2	149.5	3.7	116.5
7	D	25.3	Very low	26.2	Very low	111 Å²	111	146.5 Å²	146.5	59%	0.594	80%	0.803	S	S	*	*			cis	-153.3	173.1	11.8	-114.5	-12.2	0	0	0	108
8	K	25.9	Very low	26	Very low	166 Å²	166	143.2 Å²	143.2	72%	0.722	80%	0.799	S	S	*	*			cis	-159.8	142.1	9.6	-137	176.6	-157.2	78.3	0	110.2
9	T	27.9	Very low	25.9	Very low	135 Å²	135	143.5 Å²	143.5	83%	0.828	81%	0.805	S	S	*	*			trans	-144.9	139.7	157.5	51.6	0	0	0	0	108.6
10	P	33.2	Very low	25.7	Very low	119 Å²	119	140.8 Å²	140.8	77%	0.773	80%	0.802	S	S	*	*				-154.6	-174	99.3	41.3	-22.2	0	0	0	113.9
11	V	25.4	Very low	26.3	Very low	114 Å²	114	139.9 Å²	139.9	69%	0.691	80%	0.801	S	S	*	*			cis	-165.7	151.8	-33.1	145.2	0	0	0	0	107.9
12	Q	23.8	Very low	26	Very low	171 Å²	171	134.1 Å²	134.1	80%	0.799	79%	0.789	S	S	*	*			trans	61.3	114.8	162.1	-81.4	161.1	-9.6	0	0	123.1
13	S	22.8	Very low	25.9	Very low	103 Å²	103	129.3 Å²	129.3	72%	0.72	79%	0.785	S	S	*	*				16.9	127.8	126.3	60.4	0	0	0	0	122.2
14	Q	24.6	Very low	25.8	Very low	195 Å²	195	125.4 Å²	125.4	91%	0.911	79%	0.785	S	S	*	*				-168.2	141.7	123.6	-107.2	168	19.6	0	0	112.1
15	Q	24.1	Very low	25.6	Very low	186 Å²	186	128.8 Å²	128.8	87%	0.869	78%	0.784	S	S	*	*			trans	-92.3	155	161	-78.1	-175.8	-19.3	0	0	109.9
16	P	26.7	Very low	25.6	Very low	117 Å²	117	133.5 Å²	133.5	76%	0.76	79%	0.786	S	S	*	*			trans	-136.3	120.5	138.4	32.7	-18	0	0	0	114.7
17	S	21.5	Very low	25.5	Very low	106 Å²	106	130.4 Å²	130.4	74%	0.741	78%	0.778	S	S	*	*			trans	42	119.1	140.9	62.9	0	0	0	0	122.8
18	A	22.6	Very low	25.6	Very low	87 Å²	87	130.5 Å²	130.5	72%	0.719	79%	0.788	S	S	*	*			trans	65.8	114.9	131.1	0	0	0	0	0	121.6
19	T	24.9	Very low	25.6	Very low	149 Å²	149	128.7 Å²	128.7	91%	0.914	80%	0.796	S	S	*	*				-176.1	160	100.8	25.7	0	0	0	0	112.4
20	A	22	Very low	25.7	Very low	90 Å²	90	126.2 Å²	126.2	74%	0.744	80%	0.798	S	S	*	*			trans	-129.9	-175.5	171.2	0	0	0	0	0	107.4
21	P	38.5	Very low	25.6	Very low	121 Å²	121	129.5 Å²	129.5	79%	0.786	80%	0.8	S	S	*	*			cis	-142.8	-159.1	7.1	44.6	-24.3	0	0	0	115.2
22	A	23.9	Very low	25.8	Very low	102 Å²	102	133 Å²	133	84%	0.843	81%	0.809	S	S	*	*			trans	75.9	143.7	163.5	0	0	0	0	0	118.8
23	G	23.8	Very low	26.1	Very low	70 Å²	70	136.4 Å²	136.4	72%	0.722	81%	0.814	S	S	*	*			cis	168.8	169	-9.7	0	0	0	0	0	115.1
24	A	24.1	Very low	26.5	Very low	105 Å²	105	142 Å²	142	87%	0.868	82%	0.82	S	S	*	*			trans	75.8	137	170.1	0	0	0	0	0	120.3
25	D	23.3	Very low	26.8	Very low	152 Å²	152	139 Å²	139	81%	0.813	81%	0.81	S	S	*	*			trans	-62.8	157.8	178.3	-52.6	-112.2	0	0	0	114.3
26	E	25.5	Very low	27.1	Very low	175 Å²	175	134.4 Å²	134.4	82%	0.818	80%	0.804	S	S	*	*				-155.1	170.4	83.1	-105	-156.2	130.1	0	0	117.8
27	K	25.6	Very low	27.2	Very low	164 Å²	164	131.4 Å²	131.4	71%	0.713	79%	0.794	S	S	*	*			trans	-72.8	160.5	-153.1	-67.9	153.7	179.1	154.4	0	118.7
28	S	26.7	Very low	27.7	Very low	113 Å²	113	132.5 Å²	132.5	79%	0.79	79%	0.791	S	S	*	*			trans	72.7	102.3	139.9	58.4	0	0	0	0	121
29	S	27	Very low	28.1	Very low	128 Å²	128	136.1 Å²	136.1	90%	0.895	79%	0.791	S	S	*	*			trans	-168.2	18.7	140.8	41.4	0	0	0	0	114	K31	S29-K31 PolarHBondContact O-N 2.7Å
30	G	29.2	Very low	28.3	Very low	84 Å²	84	136.3 Å²	136.3	87%	0.866	79%	0.786	S	S	*	*			trans	-95.8	91.5	-176.1	0	0	0	0	0	114.2
31	K	31.2	Very low	28.8	Very low	188 Å²	188	140.3 Å²	140.3	82%	0.817	79%	0.787	S	S	*	*	S	Bend	trans	-151.4	-21.5	159.1	-148.8	173.1	-180	-177.3	0	117.2	S29	S29-K31 PolarHBondContact O-N 2.7Å
32	E	29.6	Very low	28.7	Very low	187 Å²	187	142.7 Å²	142.7	87%	0.874	79%	0.788	S	S	*	*	S	Bend	trans	-114.9	19.6	-168.1	-61.6	-175.7	140.1	0	0	115.7
33	R	29.9	Very low	29.6	Very low	243 Å²	243	146.2 Å²	146.2	92%	0.917	79%	0.786	S	S	*	*	S	Bend	trans	-139.5	34.8	-178.7	-72.3	-167	173.5	-171.2	-2.1	115
34	R	30.8	Very low	30.1	Very low	221 Å²	221	152 Å²	152	83%	0.834	80%	0.795	S	S	*	*	S	Bend	trans	-123	-32.7	170.4	-73.2	-171.8	174.8	177	-2	114	A36 G37	R34-A36 PolarHBondContact O-N 2.69Å; R34-G37 PolarHBondContact O-N 2.77Å; R34-G37 VanDerWaalsContact O-N 3.08Å
35	D	31.8	Very low	31.2	Very low	131 Å²	131	149.3 Å²	149.3	70%	0.701	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	0.6	-177.6	-51.2	-75.6	0	0	0	116.1
36	A	31.2	Very low	32.5	Very low	90 Å²	90	144.5 Å²	144.5	74%	0.744	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.8	0.2	175.7	0	0	0	0	0	113.7	R34	R34-A36 PolarHBondContact O-N 2.69Å
37	G	27.6	Very low	33.8	Very low	54 Å²	54	143.4 Å²	143.4	56%	0.557	74%	0.739	S	S	*	*	S	Bend	trans	-102.8	-21.7	-175.8	0	0	0	0	0	116	R34	R34-G37 PolarHBondContact O-N 2.77Å; R34-G37 VanDerWaalsContact O-N 3.08Å
38	D	31.4	Very low	35.2	Very low	128 Å²	128	142.5 Å²	142.5	68%	0.684	74%	0.737	S	S	*	*	S	Bend	trans	-99.6	-6.2	-172.9	-84.3	-36.9	0	0	0	114.6
39	K	32	Very low	36.6	Very low	164 Å²	164	138.3 Å²	138.3	71%	0.713	71%	0.706	S	S	*	*	G	3₁₀ helix	trans	-80	-28.6	-178.5	-69.7	-170.7	174.6	-175.6	0	114.3	K41	K39-K41 PolarHBondContact O-N 3.35Å
40	D	30.1	Very low	38.1	Very low	152 Å²	152	137.1 Å²	137.1	81%	0.813	68%	0.684	S	S	*	*	G	3₁₀ helix	trans	-87.1	25.4	-177	-62.4	-20	0	0	0	112.9
41	K	30.7	Very low	39.8	Very low	174 Å²	174	138.9 Å²	138.9	76%	0.757	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-127.6	-6.2	179	-80.9	-169.2	173.5	-176.1	0	115.8	K39 Q43	K39-K41 PolarHBondContact O-N 3.35Å; K41-Q43 VanDerWaalsContact C-N 3.3Å; K41-Q43 PolarHBondContact O-N 2.93Å
42	E	36.2	Very low	41.4	Very low	172 Å²	172	131.8 Å²	131.8	80%	0.804	64%	0.641	S	S	*	*	S	Bend	trans	-85.8	4.8	177.3	-63.9	-165	122.2	0	0	113.7
43	Q	42.8	Very low	43	Very low	175 Å²	175	125.8 Å²	125.8	82%	0.818	61%	0.613	S	S	*	*			trans	-125	36	-169.5	-145.8	175.1	28.4	0	0	116.6	K41	K41-Q43 VanDerWaalsContact C-N 3.3Å; K41-Q43 PolarHBondContact O-N 2.93Å
44	E	35.5	Very low	44.9	Very low	193 Å²	193	118.9 Å²	118.9	90%	0.902	59%	0.594	S	S	*	*			trans	-104.1	71.9	152.7	-71.3	-168.8	159.8	0	0	109.9	S46	E44-S46 PolarHBondContact O-N 2.86Å
45	L	46.1	Very low	46.7	Very low	48 Å²	48	113.4 Å²	113.4	25%	0.251	58%	0.578	S	S	.	*			trans	-57.6	133.5	162.3	-93.4	73.3	0	0	0	109	D49 K50 F98	L45-D49 HydrophobicContact CB-CB 4.1Å; L45-D49 HydrophobicContact CD2-CB 4.06Å; L45-D49 HydrophobicContact CG-CB 4.01Å; L45-K50 HydrophobicContact CB-CG 3.99Å; L45-K50 HydrophobicContact CD2-CG 4.08Å; L45-F98 HydrophobicContact CD2-CE1 4.03Å; L45-F98 HydrophobicContact CD2-CZ 3.89Å
46	S	51.8	Low	48.4	Very low	51 Å²	51	107.4 Å²	107.4	36%	0.357	55%	0.546	S	S	.	.			trans	-54.6	151.9	167.7	-175.5	0	0	0	0	110.1	E44 E48 D49 K50	E44-S46 PolarHBondContact O-N 2.86Å; S46-E48 PolarHBondContact O-N 3.41Å; S46-E48 PolarHBondContact OG-N 3.01Å; S46-D49 WeakPolarHBondContact O-CB 3.32Å; S46-D49 PolarHBondContact O-N 3.42Å; S46-K50 PolarHBondContact O-N 3.4Å; S46-K50 VanDerWaalsContact O-N 3.08Å
47	E	52	Low	50.2	Low	151 Å²	151	106.5 Å²	106.5	71%	0.706	53%	0.526	S	S	*	.	H	α-helix	trans	-60.8	-29	172.6	-62.9	-164.8	143.8	0	0	111.2	K50 Q51	E47-K50 PolarHBondContact O-N 3.25Å; E47-Q51 WeakPolarHBondContact O-CB 3.43Å; E47-Q51 WeakPolarHBondContact O-CG 3.4Å; E47-Q51 PolarHBondContact O-N 2.92Å
48	E	55.8	Low	52.4	Low	146 Å²	146	108.4 Å²	108.4	68%	0.682	52%	0.522	S	S	*	.	H	α-helix	trans	-66.8	-38.7	171.2	-60.9	171.8	141.3	0	0	112.6	S46 K50 Q51 L52	S46-E48 PolarHBondContact O-N 3.41Å; S46-E48 PolarHBondContact OG-N 3.01Å; E48-K50 VanDerWaalsContact C-N 3.32Å; E48-K50 PolarHBondContact O-N 3.08Å; E48-Q51 PolarHBondContact O-N 2.81Å; E48-L52 VanDerWaalsContact O-CB 3.28Å; E48-L52 WeakPolarHBondContact O-CB 3.19Å; E48-L52 PolarHBondContact O-N 3.42Å
49	D	56	Low	54	Low	24 Å²	24	102.7 Å²	102.7	13%	0.128	49%	0.491	C	S	.	.	H	α-helix	trans	-68.4	-33.7	176.6	-73.6	-36.1	0	0	0	111.3	L45 S46 Q53 K94 F98	L45-D49 HydrophobicContact CB-CB 4.1Å; L45-D49 HydrophobicContact CD2-CB 4.06Å; L45-D49 HydrophobicContact CG-CB 4.01Å; S46-D49 WeakPolarHBondContact O-CB 3.32Å; S46-D49 PolarHBondContact O-N 3.42Å; D49-Q53 PolarHBondContact O-N 2.86Å; D49-K94 WeakPolarHBondContact OD1-CD 3.42Å; D49-K94 WeakPolarHBondContact OD1-CE 3.4Å; D49-K94 IonicContact OD1-NZ 2.86Å; D49-K94 PolarHBondContact OD1-NZ 2.77Å; D49-K94 IonicContact OD2-NZ 3.95Å; D49-K94 PolarHBondContact OD2-NZ 3.17Å; D49-F98 HydrophobicContact CB-CZ 4.44Å
50	K	59.4	Low	55.6	Low	103 Å²	103	95 Å²	95	45%	0.448	46%	0.458	S	S	.	.	H	α-helix	trans	-71.9	-46.2	174.6	-70	172.1	-175.2	157.8	0	111.6	L45 S46 E47 E48 L52 Q53 D54	L45-K50 HydrophobicContact CB-CG 3.99Å; L45-K50 HydrophobicContact CD2-CG 4.08Å; S46-K50 PolarHBondContact O-N 3.4Å; S46-K50 VanDerWaalsContact O-N 3.08Å; E47-K50 PolarHBondContact O-N 3.25Å; E48-K50 VanDerWaalsContact C-N 3.32Å; E48-K50 PolarHBondContact O-N 3.08Å; K50-L52 PolarHBondContact O-N 3.46Å; K50-Q53 CarbonylContact O-C 3.54Å; K50-Q53 WeakPolarHBondContact O-CB 3.48Å; K50-Q53 PolarHBondContact O-N 2.96Å; K50-Q53 VanDerWaalsContact O-N 3.07Å; K50-D54 VanDerWaalsContact O-CG 3.31Å; K50-D54 PolarHBondContact O-N 3.5Å
51	Q	64.6	Low	57.5	Low	121 Å²	121	93.5 Å²	93.5	57%	0.565	45%	0.446	S	S	*	.	H	α-helix	trans	-59	-38.7	174.3	-74.8	173.5	9.1	0	0	111.6	E47 E48 D54 E55	E47-Q51 WeakPolarHBondContact O-CB 3.43Å; E47-Q51 WeakPolarHBondContact O-CG 3.4Å; E47-Q51 PolarHBondContact O-N 2.92Å; E48-Q51 PolarHBondContact O-N 2.81Å; Q51-D54 PolarHBondContact O-N 3.5Å; Q51-E55 WeakPolarHBondContact O-CB 3.48Å; Q51-E55 WeakPolarHBondContact O-CG 3.45Å; Q51-E55 PolarHBondContact O-N 3.05Å
52	L	63.6	Low	59.1	Low	40 Å²	40	90.6 Å²	90.6	21%	0.209	43%	0.43	C	S	.	.	H	α-helix	trans	-65.4	-39.6	173.9	-173.1	64.8	0	0	0	112.2	E48 K50 L56 P95	E48-L52 VanDerWaalsContact O-CB 3.28Å; E48-L52 WeakPolarHBondContact O-CB 3.19Å; E48-L52 PolarHBondContact O-N 3.42Å; K50-L52 PolarHBondContact O-N 3.46Å; L52-L56 HydrophobicContact CG-CD1 4.21Å; L52-L56 WeakPolarHBondContact O-CB 3.49Å; L52-L56 WeakPolarHBondContact O-CD1 3.45Å; L52-L56 WeakPolarHBondContact O-CG 3.4Å; L52-L56 PolarHBondContact O-N 3.43Å; L52-P95 HydrophobicContact CD2-CG 4.23Å
53	Q	63.6	Low	60.3	Low	60 Å²	60	82.5 Å²	82.5	28%	0.28	39%	0.393	S	S	.	.	H	α-helix	trans	-63.8	-49	172.2	-176.2	179.4	-17.4	0	0	111.3	D49 K50 E55 L56 E57 F98	D49-Q53 PolarHBondContact O-N 2.86Å; K50-Q53 CarbonylContact O-C 3.54Å; K50-Q53 WeakPolarHBondContact O-CB 3.48Å; K50-Q53 PolarHBondContact O-N 2.96Å; K50-Q53 VanDerWaalsContact O-N 3.07Å; Q53-E55 VanDerWaalsContact C-N 3.34Å; Q53-E55 PolarHBondContact O-N 3.46Å; Q53-L56 PolarHBondContact O-N 3.26Å; Q53-E57 HydrophobicContact CG-CG 4.39Å; Q53-E57 WeakPolarHBondContact CG-OE1 3.29Å; Q53-E57 PolarHBondContact NE2-OE1 3.01Å; Q53-E57 WeakPolarHBondContact O-CG 3.49Å; Q53-E57 PolarHBondContact O-N 3.22Å; Q53-F98 HydrophobicContact CB-CG 4.42Å
54	D	70.1	Confident	61	Low	99 Å²	99	76.6 Å²	76.6	53%	0.529	38%	0.379	S	S	.	.	H	α-helix	trans	-60.5	-40.3	179.7	-66.8	-29.2	0	0	0	111.9	K50 Q51 M58	K50-D54 VanDerWaalsContact O-CG 3.31Å; K50-D54 PolarHBondContact O-N 3.5Å; Q51-D54 PolarHBondContact O-N 3.5Å; D54-M58 VanDerWaalsContact O-CB 3.28Å; D54-M58 WeakPolarHBondContact O-CB 3.41Å; D54-M58 WeakPolarHBondContact O-CG 3.35Å; D54-M58 PolarHBondContact O-N 3.34Å
55	E	69.4	Low	62.6	Low	106 Å²	106	72.4 Å²	72.4	50%	0.495	36%	0.359	S	S	.	.	H	α-helix	trans	-65.8	-42.5	174	-79.1	-168.1	172.1	0	0	112.4	Q51 Q53 M58 L59 Q81	Q51-E55 WeakPolarHBondContact O-CB 3.48Å; Q51-E55 WeakPolarHBondContact O-CG 3.45Å; Q51-E55 PolarHBondContact O-N 3.05Å; Q53-E55 VanDerWaalsContact C-N 3.34Å; Q53-E55 PolarHBondContact O-N 3.46Å; E55-M58 PolarHBondContact O-N 3.48Å; E55-L59 WeakPolarHBondContact O-CB 3.35Å; E55-L59 VanDerWaalsContact O-CG 3.3Å; E55-L59 WeakPolarHBondContact O-CG 3.18Å; E55-L59 PolarHBondContact O-N 2.92Å; E55-Q81 PolarHBondContact OE2-NE2 3Å
56	L	66.4	Low	62.9	Low	5 Å²	5	79.6 Å²	79.6	3%	0.026	39%	0.388	C	S	.	.	H	α-helix	trans	-66.8	-40.6	177.7	-72.2	172.2	0	0	0	111.8	L52 Q53 L59 V60 L78 P95 F98 L99	L52-L56 HydrophobicContact CG-CD1 4.21Å; L52-L56 WeakPolarHBondContact O-CB 3.49Å; L52-L56 WeakPolarHBondContact O-CD1 3.45Å; L52-L56 WeakPolarHBondContact O-CG 3.4Å; L52-L56 PolarHBondContact O-N 3.43Å; Q53-L56 PolarHBondContact O-N 3.26Å; L56-L59 PolarHBondContact O-N 3.31Å; L56-V60 WeakPolarHBondContact O-CG2 3.42Å; L56-V60 PolarHBondContact O-N 3.04Å; L56-L78 HydrophobicContact CD2-CD1 3.46Å; L56-L78 VanDerWaalsContact CD2-CD1 3.46Å; L56-P95 HydrophobicContact CD1-CB 4Å; L56-F98 HydrophobicContact CD1-CB 4.38Å; L56-L99 HydrophobicContact CD1-CD1 4.16Å; L56-L99 HydrophobicContact CD2-CD1 3.99Å
57	E	69.8	Low	62.9	Low	70 Å²	70	82.4 Å²	82.4	33%	0.327	40%	0.4	S	S	.	.	H	α-helix	trans	-63.6	-45.6	173.5	-69.9	-169.5	-152.2	0	0	110.8	Q53 L59 V60 E61	Q53-E57 HydrophobicContact CG-CG 4.39Å; Q53-E57 WeakPolarHBondContact CG-OE1 3.29Å; Q53-E57 PolarHBondContact NE2-OE1 3.01Å; Q53-E57 WeakPolarHBondContact O-CG 3.49Å; Q53-E57 PolarHBondContact O-N 3.22Å; E57-L59 VanDerWaalsContact C-N 3.33Å; E57-L59 PolarHBondContact O-N 3.36Å; E57-V60 PolarHBondContact O-N 2.98Å; E57-V60 VanDerWaalsContact O-N 3.15Å; E57-E61 WeakPolarHBondContact O-CG 3.43Å; E57-E61 PolarHBondContact O-N 3.07Å
58	M	72.3	Confident	63.2	Low	95 Å²	95	80.2 Å²	80.2	47%	0.468	40%	0.397	S	S	.	.	H	α-helix	trans	-59.9	-36.6	173.9	-79	-72.7	-63.1	0	0	113.6	D54 E55 R62	D54-M58 VanDerWaalsContact O-CB 3.28Å; D54-M58 WeakPolarHBondContact O-CB 3.41Å; D54-M58 WeakPolarHBondContact O-CG 3.35Å; D54-M58 PolarHBondContact O-N 3.34Å; E55-M58 PolarHBondContact O-N 3.48Å; M58-R62 WeakPolarHBondContact O-CB 3.44Å; M58-R62 WeakPolarHBondContact O-CD 3.3Å; M58-R62 VanDerWaalsContact O-CG 3.24Å; M58-R62 WeakPolarHBondContact O-CG 3.43Å; M58-R62 PolarHBondContact O-N 2.95Å; M58-R62 VanDerWaalsContact O-N 3.08Å
59	L	66.6	Low	63.1	Low	8 Å²	8	78 Å²	78	4%	0.042	40%	0.398	C	S	.	.	H	α-helix	trans	-69.1	-37.9	174.9	-75.8	168.6	0	0	0	111.8	E55 L56 E57 L63 A74 E77 L78	E55-L59 WeakPolarHBondContact O-CB 3.35Å; E55-L59 VanDerWaalsContact O-CG 3.3Å; E55-L59 WeakPolarHBondContact O-CG 3.18Å; E55-L59 PolarHBondContact O-N 2.92Å; L56-L59 PolarHBondContact O-N 3.31Å; E57-L59 VanDerWaalsContact C-N 3.33Å; E57-L59 PolarHBondContact O-N 3.36Å; L59-L63 PolarHBondContact O-N 2.97Å; L59-A74 HydrophobicContact CD2-CB 4.09Å; L59-E77 HydrophobicContact CD2-CB 4.33Å; L59-L78 HydrophobicContact CD1-CB 4.44Å
60	V	65.6	Low	63.3	Low	3 Å²	3	80.7 Å²	80.7	2%	0.018	41%	0.411	C	S	.	.	H	α-helix	trans	-72.1	-36.2	175.3	175.6	0	0	0	0	112.1	L56 E57 L63 G64 L99 H102 L106	L56-V60 WeakPolarHBondContact O-CG2 3.42Å; L56-V60 PolarHBondContact O-N 3.04Å; E57-V60 PolarHBondContact O-N 2.98Å; E57-V60 VanDerWaalsContact O-N 3.15Å; V60-L63 WeakPolarHBondContact O-CA 3.45Å; V60-L63 VanDerWaalsContact O-CB 3.28Å; V60-L63 WeakPolarHBondContact O-CB 3.46Å; V60-L63 PolarHBondContact O-N 3.44Å; V60-L63 VanDerWaalsContact O-N 3.17Å; V60-G64 PolarHBondContact O-N 3.28Å; V60-L99 HydrophobicContact CG2-CD2 4.06Å; V60-H102 HydrophobicContact CG1-CB 4.17Å; V60-H102 WeakPolarHBondContact CG1-ND1 3.38Å; V60-H102 HydrophobicContact CG2-CB 4.34Å; V60-L106 HydrophobicContact CG1-CD1 4.08Å; V60-L106 HydrophobicContact CG2-CD1 4.01Å
61	E	68.9	Low	63.5	Low	119 Å²	119	77.1 Å²	77.1	56%	0.556	40%	0.395	S	S	*	.	H	α-helix	trans	-68.4	-38.2	175.6	-65.6	-145	136.4	0	0	112.1	E57 L63 G64 E65	E57-E61 WeakPolarHBondContact O-CG 3.43Å; E57-E61 PolarHBondContact O-N 3.07Å; E61-L63 PolarHBondContact O-N 3.16Å; E61-G64 WeakPolarHBondContact O-CA 3.48Å; E61-G64 PolarHBondContact O-N 3.49Å; E61-E65 PolarHBondContact O-N 2.89Å
62	R	65.4	Low	63.3	Low	113 Å²	113	74.5 Å²	74.5	43%	0.426	38%	0.38	S	S	.	.	H	α-helix	trans	-60.3	-30.8	168.9	-73.5	168.3	-177.6	169.1	3.9	112.9	M58 G64 E65	M58-R62 WeakPolarHBondContact O-CB 3.44Å; M58-R62 WeakPolarHBondContact O-CD 3.3Å; M58-R62 VanDerWaalsContact O-CG 3.24Å; M58-R62 WeakPolarHBondContact O-CG 3.43Å; M58-R62 PolarHBondContact O-N 2.95Å; M58-R62 VanDerWaalsContact O-N 3.08Å; R62-G64 PolarHBondContact O-N 3.02Å; R62-E65 PolarHBondContact O-N 3.29Å
63	L	60.9	Low	63.5	Low	3 Å²	3	76 Å²	76	2%	0.016	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-13.4	171.5	-116.7	74.4	0	0	0	113.7	L59 V60 E61 Y71 A74 L75 I109	L59-L63 PolarHBondContact O-N 2.97Å; V60-L63 WeakPolarHBondContact O-CA 3.45Å; V60-L63 VanDerWaalsContact O-CB 3.28Å; V60-L63 WeakPolarHBondContact O-CB 3.46Å; V60-L63 PolarHBondContact O-N 3.44Å; V60-L63 VanDerWaalsContact O-N 3.17Å; E61-L63 PolarHBondContact O-N 3.16Å; L63-Y71 HydrophobicContact CB-CE1 4.49Å; L63-Y71 HydrophobicContact CD1-CD1 4.33Å; L63-Y71 HydrophobicContact CG-CD1 3.93Å; L63-Y71 HydrophobicContact CG-CE1 4.05Å; L63-Y71 WeakPolarHBondContact O-CE1 3.14Å; L63-Y71 VanDerWaalsContact O-CZ 3.22Å; L63-Y71 PolarHBondContact O-OH 3.08Å; L63-A74 HydrophobicContact CD1-CB 3.54Å; L63-L75 HydrophobicContact CD1-CD2 4.5Å; L63-L75 HydrophobicContact CD1-CG 4.33Å; L63-L75 HydrophobicContact CD2-CD2 4.06Å; L63-I109 HydrophobicContact CB-CD1 4.3Å; L63-I109 WeakPolarHBondContact O-CG2 3.43Å
64	G	57.3	Low	63.7	Low	51 Å²	51	73.5 Å²	73.5	53%	0.526	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-9.1	171.4	0	0	0	0	0	114.3	V60 E61 R62	V60-G64 PolarHBondContact O-N 3.28Å; E61-G64 WeakPolarHBondContact O-CA 3.48Å; E61-G64 PolarHBondContact O-N 3.49Å; R62-G64 PolarHBondContact O-N 3.02Å
65	E	68.1	Low	63.4	Low	105 Å²	105	68.9 Å²	68.9	49%	0.491	36%	0.357	S	S	.	.	S	Bend	trans	-78.6	155	178	-62.5	-170.1	130.9	0	0	111.8	E61 R62 D67 Y71	E61-E65 PolarHBondContact O-N 2.89Å; R62-E65 PolarHBondContact O-N 3.29Å; E65-D67 VanDerWaalsContact C-N 3.34Å; E65-D67 PolarHBondContact O-N 3.05Å; E65-Y71 VanDerWaalsContact O-CE2 3.26Å; E65-Y71 WeakPolarHBondContact O-CE2 3.36Å; E65-Y71 PolarHBondContact O-OH 2.8Å
66	K	52.6	Low	63.4	Low	198 Å²	198	68 Å²	68	86%	0.861	35%	0.353	S	S	*	.	S	Bend	trans	-82.4	-6.4	-167.9	-66.4	-173.7	176	-176.8	0	115.2	T68	K66-T68 PolarHBondContact O-N 3.38Å
67	D	53.3	Low	63.6	Low	111 Å²	111	71.2 Å²	71.2	59%	0.594	37%	0.368	S	S	*	.			trans	-88.5	102.9	-171.8	-75	-27.4	0	0	0	111.7	E65 S69 L70 Y71	E65-D67 VanDerWaalsContact C-N 3.34Å; E65-D67 PolarHBondContact O-N 3.05Å; D67-S69 PolarHBondContact O-N 3.39Å; D67-L70 HydrophobicContact CB-CD1 4.22Å; D67-L70 HydrophobicContact CB-CG 4.42Å; D67-L70 PolarHBondContact O-N 2.87Å; D67-Y71 WeakPolarHBondContact O-CD2 3.24Å
68	T	57.3	Low	63.5	Low	104 Å²	104	68 Å²	68	64%	0.638	35%	0.353	S	S	*	.	H	α-helix	trans	-55	-20.1	-175.4	-33.5	0	0	0	0	114.1	K66	K66-T68 PolarHBondContact O-N 3.38Å
69	S	54.7	Low	63.1	Low	101 Å²	101	65.3 Å²	65.3	71%	0.706	34%	0.338	S	S	*	.	H	α-helix	trans	-78.6	-17.9	177.3	-167	0	0	0	0	114.7	D67 P73	D67-S69 PolarHBondContact O-N 3.39Å; S69-P73 WeakPolarHBondContact O-CD 3.28Å
70	L	59.9	Low	63.4	Low	80 Å²	80	71.8 Å²	71.8	42%	0.419	36%	0.361	S	S	.	.	H	α-helix	trans	-90.8	-19.7	-179.7	-67.1	175.9	0	0	0	113.1	D67 R72 P73 A74	D67-L70 HydrophobicContact CB-CD1 4.22Å; D67-L70 HydrophobicContact CB-CG 4.42Å; D67-L70 PolarHBondContact O-N 2.87Å; L70-R72 PolarHBondContact O-N 3.04Å; L70-P73 WeakPolarHBondContact O-CD 3.28Å; L70-A74 WeakPolarHBondContact O-CB 3.43Å; L70-A74 PolarHBondContact O-N 2.85Å
71	Y	62.3	Low	63.4	Low	27 Å²	27	72.5 Å²	72.5	11%	0.106	37%	0.365	C	S	.	.	H	α-helix	trans	-58.2	-45.2	175.3	-77.5	-96	0	0	0	112.8	L63 E65 D67 A74 L75 I109 M113	L63-Y71 HydrophobicContact CB-CE1 4.49Å; L63-Y71 HydrophobicContact CD1-CD1 4.33Å; L63-Y71 HydrophobicContact CG-CD1 3.93Å; L63-Y71 HydrophobicContact CG-CE1 4.05Å; L63-Y71 WeakPolarHBondContact O-CE1 3.14Å; L63-Y71 VanDerWaalsContact O-CZ 3.22Å; L63-Y71 PolarHBondContact O-OH 3.08Å; E65-Y71 VanDerWaalsContact O-CE2 3.26Å; E65-Y71 WeakPolarHBondContact O-CE2 3.36Å; E65-Y71 PolarHBondContact O-OH 2.8Å; D67-Y71 WeakPolarHBondContact O-CD2 3.24Å; Y71-A74 PolarHBondContact O-N 3.37Å; Y71-L75 WeakPolarHBondContact O-CB 3.49Å; Y71-L75 WeakPolarHBondContact O-CD1 3.16Å; Y71-L75 VanDerWaalsContact O-CG 3.22Å; Y71-L75 WeakPolarHBondContact O-CG 3.45Å; Y71-L75 PolarHBondContact O-N 3.35Å; Y71-I109 HydrophobicContact CE1-CG2 3.89Å; Y71-M113 HydrophobicContact CD1-CE 3.76Å; Y71-M113 HydrophobicContact CD1-SD 3.7Å; Y71-M113 HydrophobicContact CE1-CE 3.89Å; Y71-M113 HydrophobicContact CE1-CG 4.28Å; Y71-M113 HydrophobicContact CE1-SD 3.9Å; Y71-M113 HydrophobicContact CG-SD 4.35Å
72	R	60.5	Low	63.2	Low	66 Å²	66	67 Å²	67	25%	0.249	34%	0.339	C	S	.	.	H	α-helix	trans	-65.9	-48.8	-172.8	-172.3	62	161	-100.8	-4.6	112.7	L70 A74 L75 E76 E117 N118 F121	L70-R72 PolarHBondContact O-N 3.04Å; R72-A74 PolarHBondContact O-N 3.07Å; R72-L75 PolarHBondContact O-N 3.06Å; R72-E76 VanDerWaalsContact CD-OE1 3.29Å; R72-E76 WeakPolarHBondContact CD-OE1 3.22Å; R72-E76 IonicContact CZ-OE1 3.13Å; R72-E76 IonicContact NE-OE1 3.96Å; R72-E76 PolarHBondContact NE-OE1 2.71Å; R72-E76 WeakPolarHBondContact O-CB 3.41Å; R72-E76 WeakPolarHBondContact O-CG 3.37Å; R72-E76 PolarHBondContact O-N 3.18Å; R72-E117 IonicContact CZ-OE2 3.54Å; R72-E117 VanDerWaalsContact CZ-OE2 3.29Å; R72-E117 IonicContact NH1-OE2 2.7Å; R72-E117 PolarHBondContact NH1-OE2 2.83Å; R72-E117 IonicContact NH2-OE2 3.75Å; R72-E117 PolarHBondContact NH2-OE2 3.11Å; R72-N118 PolarHBondContact NH1-OD1 3.03Å; R72-F121 VanDerWaalsContact CZ-CE2 3.45Å
73	P	69.5	Low	63	Low	73 Å²	73	65.1 Å²	65.1	47%	0.474	33%	0.332	S	S	.	.	H	α-helix	trans	-61.5	-39.8	172.8	-24.1	34.8	0	0	0	113.5	S69 L70 E76 E77	S69-P73 WeakPolarHBondContact O-CD 3.28Å; L70-P73 WeakPolarHBondContact O-CD 3.28Å; P73-E76 PolarHBondContact O-N 2.95Å; P73-E77 WeakPolarHBondContact O-CB 3.46Å; P73-E77 PolarHBondContact O-N 2.65Å
74	A	66.3	Low	63	Low	6 Å²	6	68.9 Å²	68.9	5%	0.05	36%	0.358	C	S	.	.	H	α-helix	trans	-66.8	-41.1	-179.4	0	0	0	0	0	112.5	L59 L63 L70 Y71 R72 L78	L59-A74 HydrophobicContact CD2-CB 4.09Å; L63-A74 HydrophobicContact CD1-CB 3.54Å; L70-A74 WeakPolarHBondContact O-CB 3.43Å; L70-A74 PolarHBondContact O-N 2.85Å; Y71-A74 PolarHBondContact O-N 3.37Å; R72-A74 PolarHBondContact O-N 3.07Å; A74-L78 WeakPolarHBondContact O-CB 3.42Å; A74-L78 PolarHBondContact O-N 3.23Å
75	L	65.4	Low	63	Low	3 Å²	3	67.8 Å²	67.8	2%	0.016	34%	0.343	C	S	.	.	H	α-helix	trans	-63.7	-41.7	172.9	-70.8	165.7	0	0	0	111.6	L63 Y71 R72 R79 F121 A122 I125	L63-L75 HydrophobicContact CD1-CD2 4.5Å; L63-L75 HydrophobicContact CD1-CG 4.33Å; L63-L75 HydrophobicContact CD2-CD2 4.06Å; Y71-L75 WeakPolarHBondContact O-CB 3.49Å; Y71-L75 WeakPolarHBondContact O-CD1 3.16Å; Y71-L75 VanDerWaalsContact O-CG 3.22Å; Y71-L75 WeakPolarHBondContact O-CG 3.45Å; Y71-L75 PolarHBondContact O-N 3.35Å; R72-L75 PolarHBondContact O-N 3.06Å; L75-R79 WeakPolarHBondContact O-CB 3.37Å; L75-R79 PolarHBondContact O-N 2.82Å; L75-F121 HydrophobicContact CD1-CB 4.31Å; L75-A122 HydrophobicContact CD2-CB 4.33Å; L75-I125 HydrophobicContact CB-CD1 4.2Å; L75-I125 HydrophobicContact CD2-CD1 3.74Å
76	E	69.1	Low	62.1	Low	88 Å²	88	64.6 Å²	64.6	41%	0.411	33%	0.33	S	S	.	.	H	α-helix	trans	-70.8	-36.4	179.6	-73.9	175.6	-166.9	0	0	113	R72 P73 R80	R72-E76 VanDerWaalsContact CD-OE1 3.29Å; R72-E76 WeakPolarHBondContact CD-OE1 3.22Å; R72-E76 IonicContact CZ-OE1 3.13Å; R72-E76 IonicContact NE-OE1 3.96Å; R72-E76 PolarHBondContact NE-OE1 2.71Å; R72-E76 WeakPolarHBondContact O-CB 3.41Å; R72-E76 WeakPolarHBondContact O-CG 3.37Å; R72-E76 PolarHBondContact O-N 3.18Å; P73-E76 PolarHBondContact O-N 2.95Å; E76-R80 PolarHBondContact O-N 2.85Å
77	E	70.4	Confident	62	Low	72 Å²	72	61 Å²	61	34%	0.336	33%	0.325	S	S	.	.	H	α-helix	trans	-70.4	-43.1	175.4	-165.3	124	-113.5	0	0	111.6	L59 P73 R79 R80 Q81	L59-E77 HydrophobicContact CD2-CB 4.33Å; P73-E77 WeakPolarHBondContact O-CB 3.46Å; P73-E77 PolarHBondContact O-N 2.65Å; E77-R79 PolarHBondContact O-N 3.48Å; E77-R80 WeakPolarHBondContact O-CB 3.16Å; E77-R80 PolarHBondContact O-N 3.08Å; E77-R80 VanDerWaalsContact O-N 3.16Å; E77-R80 IonicContact OE1-CZ 3.12Å; E77-R80 IonicContact OE1-NH1 2.69Å; E77-R80 PolarHBondContact OE1-NH1 2.69Å; E77-R80 IonicContact OE1-NH2 2.7Å; E77-R80 PolarHBondContact OE1-NH2 2.75Å; E77-Q81 PolarHBondContact O-N 2.85Å
78	L	67.9	Low	61.6	Low	2 Å²	2	58.7 Å²	58.7	1%	0.01	32%	0.318	C	S	.	.	H	α-helix	trans	-58.2	-46.6	172.1	178.3	60.1	0	0	0	111.7	L56 L59 A74 R80 Q81 I82 L99 I125	L56-L78 HydrophobicContact CD2-CD1 3.46Å; L56-L78 VanDerWaalsContact CD2-CD1 3.46Å; L59-L78 HydrophobicContact CD1-CB 4.44Å; A74-L78 WeakPolarHBondContact O-CB 3.42Å; A74-L78 PolarHBondContact O-N 3.23Å; L78-R80 VanDerWaalsContact C-N 3.33Å; L78-R80 PolarHBondContact O-N 3.08Å; L78-Q81 PolarHBondContact O-N 2.63Å; L78-I82 HydrophobicContact CD1-CD1 4.17Å; L78-I82 HydrophobicContact CG-CD1 4.13Å; L78-I82 WeakPolarHBondContact O-CG1 3.47Å; L78-I82 PolarHBondContact O-N 2.62Å; L78-L99 HydrophobicContact CD1-CD1 4.01Å; L78-L99 HydrophobicContact CD1-CD2 4.19Å; L78-I125 HydrophobicContact CD2-CD1 4.44Å; L78-I125 HydrophobicContact CD2-CG2 3.95Å
79	R	64.1	Low	60.7	Low	38 Å²	38	61.9 Å²	61.9	14%	0.143	33%	0.327	C	S	.	.	H	α-helix	trans	-59.3	-40.1	173.8	176.4	174.9	173.7	-140.2	-4.8	112.2	L75 E77 R83 I125 E149 W154	L75-R79 WeakPolarHBondContact O-CB 3.37Å; L75-R79 PolarHBondContact O-N 2.82Å; E77-R79 PolarHBondContact O-N 3.48Å; R79-R83 VanDerWaalsContact NE-CZ 3.35Å; R79-R83 WeakPolarHBondContact O-CB 3.5Å; R79-R83 WeakPolarHBondContact O-CG 3.22Å; R79-R83 PolarHBondContact O-N 3.19Å; R79-I125 HydrophobicContact CB-CD1 4.36Å; R79-E149 IonicContact CZ-OE1 3.46Å; R79-E149 IonicContact CZ-OE2 4Å; R79-E149 IonicContact NE-OE2 3.25Å; R79-E149 IonicContact NH1-OE1 3.65Å; R79-E149 IonicContact NH2-OE1 2.72Å; R79-E149 PolarHBondContact NH2-OE1 3.04Å; R79-E149 IonicContact NH2-OE2 2.82Å; R79-E149 PolarHBondContact NH2-OE2 3.33Å; R79-W154 HydrophobicContact CB-CH2 4.35Å; R79-W154 HydrophobicContact CG-CH2 3.79Å; R79-W154 HydrophobicContact CG-CZ2 4.21Å; R79-W154 HydrophobicContact CG-CZ3 4.48Å
80	R	71.3	Confident	60.1	Low	144 Å²	144	63.2 Å²	63.2	54%	0.543	33%	0.332	S	S	.	.	H	α-helix	trans	-63.8	-46.8	175.4	-166.4	-175.9	73.7	-129.7	-4.8	111.5	E76 E77 L78 R83 S84	E76-R80 PolarHBondContact O-N 2.85Å; E77-R80 WeakPolarHBondContact O-CB 3.16Å; E77-R80 PolarHBondContact O-N 3.08Å; E77-R80 VanDerWaalsContact O-N 3.16Å; E77-R80 IonicContact OE1-CZ 3.12Å; E77-R80 IonicContact OE1-NH1 2.69Å; E77-R80 PolarHBondContact OE1-NH1 2.69Å; E77-R80 IonicContact OE1-NH2 2.7Å; E77-R80 PolarHBondContact OE1-NH2 2.75Å; L78-R80 VanDerWaalsContact C-N 3.33Å; L78-R80 PolarHBondContact O-N 3.08Å; R80-R83 PolarHBondContact O-N 2.96Å; R80-S84 PolarHBondContact O-N 2.78Å; R80-S84 PolarHBondContact O-OG 3.36Å; R80-S84 VanDerWaalsContact O-OG 3.07Å
81	Q	66.7	Low	59.6	Low	19 Å²	19	62.6 Å²	62.6	9%	0.089	33%	0.334	C	S	.	.	H	α-helix	trans	-64.3	-40.7	-179.9	-73.2	-175.4	-18.9	0	0	113	E55 E77 L78 S84 S85	E55-Q81 PolarHBondContact OE2-NE2 3Å; E77-Q81 PolarHBondContact O-N 2.85Å; L78-Q81 PolarHBondContact O-N 2.63Å; Q81-S84 WeakPolarHBondContact CA-OG 3.48Å; Q81-S84 PolarHBondContact O-OG 2.9Å; Q81-S85 PolarHBondContact O-N 2.9Å; Q81-S85 PolarHBondContact O-OG 3.36Å
82	I	64.6	Low	59.1	Low	2 Å²	2	64.5 Å²	64.5	1%	0.01	35%	0.348	C	S	.	.	H	α-helix	trans	-60.6	-54.7	172.8	-67.1	165.8	0	0	0	109.5	L78 S84 S85 T86 V128 W154	L78-I82 HydrophobicContact CD1-CD1 4.17Å; L78-I82 HydrophobicContact CG-CD1 4.13Å; L78-I82 WeakPolarHBondContact O-CG1 3.47Å; L78-I82 PolarHBondContact O-N 2.62Å; I82-S84 VanDerWaalsContact C-N 3.34Å; I82-S84 PolarHBondContact O-N 3.45Å; I82-S85 WeakPolarHBondContact O-CB 3.38Å; I82-S85 PolarHBondContact O-N 2.98Å; I82-T86 PolarHBondContact O-N 3.4Å; I82-T86 PolarHBondContact O-OG1 2.92Å; I82-V128 HydrophobicContact CG2-CG1 4.24Å; I82-W154 HydrophobicContact CG2-CE3 4.36Å; I82-W154 HydrophobicContact CG2-CZ3 4.04Å
83	R	61	Low	59.1	Low	74 Å²	74	61.8 Å²	61.8	28%	0.279	34%	0.339	S	S	.	.	H	α-helix	trans	-57.6	-40.9	-179	-76.4	-178.1	174.5	165.9	6.5	113.7	R79 R80 S85 E149 S153	R79-R83 VanDerWaalsContact NE-CZ 3.35Å; R79-R83 WeakPolarHBondContact O-CB 3.5Å; R79-R83 WeakPolarHBondContact O-CG 3.22Å; R79-R83 PolarHBondContact O-N 3.19Å; R80-R83 PolarHBondContact O-N 2.96Å; R83-S85 PolarHBondContact O-N 2.85Å; R83-E149 IonicContact NH2-OE2 3.51Å; R83-E149 PolarHBondContact NH2-OE2 3.27Å; R83-S153 WeakPolarHBondContact CD-O 3.46Å; R83-S153 WeakPolarHBondContact CG-O 3.5Å; R83-S153 PolarHBondContact NE-O 3.22Å; R83-S153 PolarHBondContact NH2-OG 3Å
84	S	61.9	Low	58.6	Low	82 Å²	82	63.3 Å²	63.3	57%	0.573	34%	0.339	S	S	*	.	H	α-helix	trans	-68.4	-12	176.5	55.4	0	0	0	0	114.4	R80 Q81 I82	R80-S84 PolarHBondContact O-N 2.78Å; R80-S84 PolarHBondContact O-OG 3.36Å; R80-S84 VanDerWaalsContact O-OG 3.07Å; Q81-S84 WeakPolarHBondContact CA-OG 3.48Å; Q81-S84 PolarHBondContact O-OG 2.9Å; I82-S84 VanDerWaalsContact C-N 3.34Å; I82-S84 PolarHBondContact O-N 3.45Å
85	S	55.9	Low	58.2	Low	29 Å²	29	63.2 Å²	63.2	20%	0.203	34%	0.337	C	S	.	.	H	α-helix	trans	-100.8	-34.4	179.4	-54.6	0	0	0	0	112.7	Q81 I82 R83 T87 S88 P95	Q81-S85 PolarHBondContact O-N 2.9Å; Q81-S85 PolarHBondContact O-OG 3.36Å; I82-S85 WeakPolarHBondContact O-CB 3.38Å; I82-S85 PolarHBondContact O-N 2.98Å; R83-S85 PolarHBondContact O-N 2.85Å; S85-T87 VanDerWaalsContact C-N 3.25Å; S85-T87 PolarHBondContact O-N 2.94Å; S85-S88 PolarHBondContact O-OG 3.06Å; S85-S88 VanDerWaalsContact O-OG 3.05Å; S85-P95 WeakPolarHBondContact OG-CG 3.28Å
86	T	48.9	Very low	57.9	Low	37 Å²	37	63.2 Å²	63.2	23%	0.227	34%	0.337	C	S	.	.	H	α-helix	trans	-73.7	-6.1	-174	-49.3	0	0	0	0	114.4	I82 S88 P93	I82-T86 PolarHBondContact O-N 3.4Å; I82-T86 PolarHBondContact O-OG1 2.92Å; T86-S88 PolarHBondContact O-N 3.03Å; T86-P93 HydrophobicContact CG2-CG 4.31Å
87	T	51.3	Low	57.6	Low	122 Å²	122	65.1 Å²	65.1	75%	0.748	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	12.2	172.7	54.9	0	0	0	0	114.4	S85	S85-T87 VanDerWaalsContact C-N 3.25Å; S85-T87 PolarHBondContact O-N 2.94Å
88	S	43.8	Very low	57.1	Low	63 Å²	63	63.7 Å²	63.7	44%	0.441	34%	0.337	S	S	.	.			trans	-109.6	87.2	-172.1	-51.7	0	0	0	0	110.4	S85 T86 T90	S85-S88 PolarHBondContact O-OG 3.06Å; S85-S88 VanDerWaalsContact O-OG 3.05Å; T86-S88 PolarHBondContact O-N 3.03Å; S88-T90 PolarHBondContact O-N 2.94Å
89	M	38.6	Very low	56.7	Low	171 Å²	171	63.7 Å²	63.7	84%	0.842	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	10.3	-164.2	-154.5	-167.3	178.3	0	0	117.9
90	T	43	Very low	56.4	Low	130 Å²	130	68.6 Å²	68.6	80%	0.798	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.5	5.6	-167.6	61.9	0	0	0	0	115.7	S88	S88-T90 PolarHBondContact O-N 2.94Å
91	S	50.3	Low	56	Low	67 Å²	67	66.7 Å²	66.7	47%	0.469	36%	0.362	S	S	.	.	S	Bend	trans	-164.7	131.7	178.6	60.5	0	0	0	0	113.6	P93	S91-P93 VanDerWaalsContact O-CD 3.31Å; S91-P93 WeakPolarHBondContact O-CD 3.43Å
92	V	51.9	Low	55.7	Low	66 Å²	66	66.8 Å²	66.8	40%	0.4	36%	0.362	S	S	.	.			trans	-38.7	111.1	169.2	-179.5	0	0	0	0	110.9	T132	V92-T132 HydrophobicContact CG1-CG2 4.19Å
93	P	59.3	Low	55.4	Low	9 Å²	9	67.2 Å²	67.2	6%	0.058	36%	0.364	C	S	.	.			trans	-52.1	136.8	-172.5	-32.7	35.6	0	0	0	113.9	T86 S91 P95 L96	T86-P93 HydrophobicContact CG2-CG 4.31Å; S91-P93 VanDerWaalsContact O-CD 3.31Å; S91-P93 WeakPolarHBondContact O-CD 3.43Å; P93-P95 VanDerWaalsContact C-CD 3.41Å; P93-P95 VanDerWaalsContact C-N 3.31Å; P93-L96 HydrophobicContact CB-CD1 4.46Å; P93-L96 HydrophobicContact CB-CG 4.46Å; P93-L96 HydrophobicContact CG-CD1 4.38Å; P93-L96 PolarHBondContact O-N 3.32Å
94	K	59.1	Low	55.5	Low	106 Å²	106	65.7 Å²	65.7	46%	0.461	37%	0.371	S	S	.	.	H	α-helix	trans	-49.9	-41.9	178.5	-64	-171.6	-171	177.5	0	113.6	D49 L96 K97 F98	D49-K94 WeakPolarHBondContact OD1-CD 3.42Å; D49-K94 WeakPolarHBondContact OD1-CE 3.4Å; D49-K94 IonicContact OD1-NZ 2.86Å; D49-K94 PolarHBondContact OD1-NZ 2.77Å; D49-K94 IonicContact OD2-NZ 3.95Å; D49-K94 PolarHBondContact OD2-NZ 3.17Å; K94-L96 VanDerWaalsContact C-N 3.31Å; K94-L96 PolarHBondContact O-N 3.3Å; K94-K97 WeakPolarHBondContact O-CB 3.26Å; K94-K97 PolarHBondContact O-N 2.97Å; K94-F98 HydrophobicContact CB-CD2 4.47Å; K94-F98 HydrophobicContact CB-CE2 4.02Å; K94-F98 WeakPolarHBondContact O-CD2 3.31Å; K94-F98 PolarHBondContact O-N 3.37Å
95	P	58.1	Low	55.5	Low	3 Å²	3	66.5 Å²	66.5	2%	0.019	36%	0.364	C	S	.	.	H	α-helix	trans	-52.7	-44.2	175.7	-28.8	35.7	0	0	0	113.8	L52 L56 S85 P93 K97 F98 L99	L52-P95 HydrophobicContact CD2-CG 4.23Å; L56-P95 HydrophobicContact CD1-CB 4Å; S85-P95 WeakPolarHBondContact OG-CG 3.28Å; P93-P95 VanDerWaalsContact C-CD 3.41Å; P93-P95 VanDerWaalsContact C-N 3.31Å; P95-K97 PolarHBondContact O-N 3.18Å; P95-F98 PolarHBondContact O-N 3.15Å; P95-L99 HydrophobicContact CB-CD1 4.4Å; P95-L99 WeakPolarHBondContact O-CD1 3.4Å; P95-L99 PolarHBondContact O-N 3.29Å
96	L	59.2	Low	55.8	Low	4 Å²	4	65.4 Å²	65.4	2%	0.021	36%	0.356	C	S	.	.	H	α-helix	trans	-65.1	-29.6	-178.5	-59.7	176.9	0	0	0	111.9	P93 K94 R100 V128 L129 M131 T132	P93-L96 HydrophobicContact CB-CD1 4.46Å; P93-L96 HydrophobicContact CB-CG 4.46Å; P93-L96 HydrophobicContact CG-CD1 4.38Å; P93-L96 PolarHBondContact O-N 3.32Å; K94-L96 VanDerWaalsContact C-N 3.31Å; K94-L96 PolarHBondContact O-N 3.3Å; L96-R100 PolarHBondContact O-N 3.47Å; L96-V128 HydrophobicContact CD2-CG1 4.32Å; L96-L129 HydrophobicContact CD2-CD2 3.84Å; L96-M131 HydrophobicContact CD1-SD 4.36Å; L96-T132 HydrophobicContact CB-CG2 3.75Å; L96-T132 HydrophobicContact CD1-CG2 4.5Å
97	K	62.3	Low	56.5	Low	127 Å²	127	66.6 Å²	66.6	55%	0.552	36%	0.358	S	S	*	.	H	α-helix	trans	-70	-38	172.5	-61	-177.1	-179.2	180	0	112	K94 P95 R100	K94-K97 WeakPolarHBondContact O-CB 3.26Å; K94-K97 PolarHBondContact O-N 2.97Å; P95-K97 PolarHBondContact O-N 3.18Å; K97-R100 WeakPolarHBondContact O-CB 3.43Å
98	F	59.7	Low	57.3	Low	43 Å²	43	67 Å²	67	19%	0.189	35%	0.351	C	S	.	.	H	α-helix	trans	-77.4	-33.5	179.2	-61.1	-45.8	0	0	0	113.5	L45 D49 Q53 L56 K94 P95 R100 P101	L45-F98 HydrophobicContact CD2-CE1 4.03Å; L45-F98 HydrophobicContact CD2-CZ 3.89Å; D49-F98 HydrophobicContact CB-CZ 4.44Å; Q53-F98 HydrophobicContact CB-CG 4.42Å; L56-F98 HydrophobicContact CD1-CB 4.38Å; K94-F98 HydrophobicContact CB-CD2 4.47Å; K94-F98 HydrophobicContact CB-CE2 4.02Å; K94-F98 WeakPolarHBondContact O-CD2 3.31Å; K94-F98 PolarHBondContact O-N 3.37Å; P95-F98 PolarHBondContact O-N 3.15Å; F98-R100 VanDerWaalsContact C-N 3.28Å; F98-R100 PolarHBondContact O-N 3.02Å; F98-P101 WeakPolarHBondContact O-CD 3.49Å
99	L	58.9	Low	58.2	Low	2 Å²	2	65.1 Å²	65.1	1%	0.01	34%	0.336	C	S	.	.	H	α-helix	trans	-73.6	-15.5	173.5	-83.9	131.4	0	0	0	113.8	L56 V60 L78 P95 P101 H102 Y103 L129	L56-L99 HydrophobicContact CD1-CD1 4.16Å; L56-L99 HydrophobicContact CD2-CD1 3.99Å; V60-L99 HydrophobicContact CG2-CD2 4.06Å; L78-L99 HydrophobicContact CD1-CD1 4.01Å; L78-L99 HydrophobicContact CD1-CD2 4.19Å; P95-L99 HydrophobicContact CB-CD1 4.4Å; P95-L99 WeakPolarHBondContact O-CD1 3.4Å; P95-L99 PolarHBondContact O-N 3.29Å; L99-P101 VanDerWaalsContact C-CD 3.45Å; L99-H102 WeakPolarHBondContact O-CA 3.35Å; L99-H102 WeakPolarHBondContact O-CB 3.17Å; L99-H102 PolarHBondContact O-N 3.41Å; L99-Y103 PolarHBondContact O-N 3.06Å; L99-L129 HydrophobicContact CB-CD2 3.45Å; L99-L129 VanDerWaalsContact CB-CD2 3.45Å; L99-L129 HydrophobicContact CD1-CD2 4.15Å; L99-L129 HydrophobicContact CD2-CD1 4.25Å; L99-L129 HydrophobicContact CD2-CD2 4.25Å; L99-L129 HydrophobicContact CG-CD2 4.16Å
100	R	58.5	Low	59.2	Low	140 Å²	140	58.1 Å²	58.1	53%	0.528	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-52.2	-40.7	-175.7	-159.3	-178.5	-167.7	-144.8	3.1	115	L96 K97 F98 H102 T132 M133	L96-R100 PolarHBondContact O-N 3.47Å; K97-R100 WeakPolarHBondContact O-CB 3.43Å; F98-R100 VanDerWaalsContact C-N 3.28Å; F98-R100 PolarHBondContact O-N 3.02Å; R100-H102 VanDerWaalsContact C-N 3.28Å; R100-H102 PolarHBondContact O-N 2.9Å; R100-T132 PolarHBondContact NE-O 3.35Å; R100-T132 PolarHBondContact NH2-O 3.16Å; R100-M133 HydrophobicContact CG-CG 4.39Å
101	P	62.5	Low	60.2	Low	104 Å²	104	58 Å²	58	68%	0.675	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-70.8	-21.2	174.9	-16.4	32.3	0	0	0	113.7	F98 L99	F98-P101 WeakPolarHBondContact O-CD 3.49Å; L99-P101 VanDerWaalsContact C-CD 3.45Å
102	H	60.5	Low	60.6	Low	22 Å²	22	61.6 Å²	61.6	10%	0.102	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-89.3	-12	-174.3	-69.1	-112.1	0	0	0	113	V60 L99 R100 G104 K105 L106	V60-H102 HydrophobicContact CG1-CB 4.17Å; V60-H102 WeakPolarHBondContact CG1-ND1 3.38Å; V60-H102 HydrophobicContact CG2-CB 4.34Å; L99-H102 WeakPolarHBondContact O-CA 3.35Å; L99-H102 WeakPolarHBondContact O-CB 3.17Å; L99-H102 PolarHBondContact O-N 3.41Å; R100-H102 VanDerWaalsContact C-N 3.28Å; R100-H102 PolarHBondContact O-N 2.9Å; H102-G104 PolarHBondContact O-N 3.29Å; H102-G104 VanDerWaalsContact O-N 3.16Å; H102-K105 WeakPolarHBondContact O-CA 3.48Å; H102-K105 WeakPolarHBondContact O-CB 3.26Å; H102-K105 PolarHBondContact O-N 3.03Å; H102-L106 HydrophobicContact CB-CD1 4Å; H102-L106 VanDerWaalsContact O-CD1 3.28Å; H102-L106 WeakPolarHBondContact O-CD1 3.29Å; H102-L106 PolarHBondContact O-N 3.04Å
103	Y	59.5	Low	60.9	Low	11 Å²	11	59.5 Å²	59.5	4%	0.043	29%	0.291	C	S	.	.	H	α-helix	trans	-49.4	-42.3	179.2	-171.6	-101.9	0	0	0	113.3	L99 L106 K107 I126 L129 A130 M133 E138	L99-Y103 PolarHBondContact O-N 3.06Å; Y103-L106 PolarHBondContact O-N 3.27Å; Y103-K107 PolarHBondContact O-N 3.18Å; Y103-I126 HydrophobicContact CE2-CG2 3.93Å; Y103-L129 HydrophobicContact CD2-CB 3.88Å; Y103-L129 HydrophobicContact CE2-CB 4.11Å; Y103-A130 HydrophobicContact CE2-CB 4.34Å; Y103-M133 HydrophobicContact CD1-CE 3.91Å; Y103-M133 HydrophobicContact CE1-CE 4.32Å; Y103-E138 VanDerWaalsContact CE1-OE2 3.31Å; Y103-E138 WeakPolarHBondContact CE1-OE2 3.36Å; Y103-E138 PolarHBondContact OH-OE2 2.86Å
104	G	61.8	Low	60.3	Low	42 Å²	42	62.8 Å²	62.8	43%	0.433	32%	0.319	S	S	.	.	H	α-helix	trans	-61.8	-44.2	175.3	0	0	0	0	0	113.5	H102 K107 E108	H102-G104 PolarHBondContact O-N 3.29Å; H102-G104 VanDerWaalsContact O-N 3.16Å; G104-K107 PolarHBondContact O-N 3.17Å; G104-E108 PolarHBondContact O-N 3.29Å
105	K	63	Low	59.5	Low	99 Å²	99	63.9 Å²	63.9	43%	0.43	34%	0.337	S	S	.	.	H	α-helix	trans	-63	-42.9	174.3	-73.2	-176	174.9	-178.7	0	111.3	H102 K107 E108 I109	H102-K105 WeakPolarHBondContact O-CA 3.48Å; H102-K105 WeakPolarHBondContact O-CB 3.26Å; H102-K105 PolarHBondContact O-N 3.03Å; K105-K107 VanDerWaalsContact C-N 3.29Å; K105-K107 PolarHBondContact O-N 3.08Å; K105-E108 PolarHBondContact O-N 3.29Å; K105-I109 WeakPolarHBondContact O-CB 3.26Å; K105-I109 WeakPolarHBondContact O-CD1 3.25Å; K105-I109 WeakPolarHBondContact O-CG1 3.28Å; K105-I109 PolarHBondContact O-N 3.43Å
106	L	62.6	Low	59.5	Low	6 Å²	6	65.8 Å²	65.8	3%	0.031	36%	0.358	C	S	.	.	H	α-helix	trans	-61.7	-37.4	176.9	-86.3	93	0	0	0	112	V60 H102 Y103 I109 Y110 I125 I126 L129	V60-L106 HydrophobicContact CG1-CD1 4.08Å; V60-L106 HydrophobicContact CG2-CD1 4.01Å; H102-L106 HydrophobicContact CB-CD1 4Å; H102-L106 VanDerWaalsContact O-CD1 3.28Å; H102-L106 WeakPolarHBondContact O-CD1 3.29Å; H102-L106 PolarHBondContact O-N 3.04Å; Y103-L106 PolarHBondContact O-N 3.27Å; L106-I109 PolarHBondContact O-N 2.75Å; L106-Y110 VanDerWaalsContact O-CB 3.3Å; L106-Y110 WeakPolarHBondContact O-CB 3.36Å; L106-Y110 PolarHBondContact O-N 2.98Å; L106-I125 HydrophobicContact CD2-CG2 4.31Å; L106-I126 HydrophobicContact CB-CD1 4.35Å; L106-I126 HydrophobicContact CB-CG1 4.22Å; L106-I126 HydrophobicContact CD2-CG1 4.2Å; L106-L129 HydrophobicContact CD2-CD1 3.85Å
107	K	63.8	Low	59.3	Low	62 Å²	62	71.5 Å²	71.5	27%	0.27	38%	0.384	S	S	.	.	H	α-helix	trans	-65.8	-45.2	175.6	-169.8	168.2	-179.6	172.7	0	112.3	Y103 G104 K105 I109 Y110 E111 E138 Y142	Y103-K107 PolarHBondContact O-N 3.18Å; G104-K107 PolarHBondContact O-N 3.17Å; K105-K107 VanDerWaalsContact C-N 3.29Å; K105-K107 PolarHBondContact O-N 3.08Å; K107-I109 VanDerWaalsContact C-N 3.34Å; K107-I109 PolarHBondContact O-N 2.95Å; K107-Y110 PolarHBondContact O-N 3.46Å; K107-E111 PolarHBondContact O-N 3.11Å; K107-E138 IonicContact NZ-OE1 2.75Å; K107-E138 PolarHBondContact NZ-OE1 3.13Å; K107-Y142 WeakPolarHBondContact CE-OH 3.44Å
108	E	66.3	Low	58.9	Low	129 Å²	129	66.9 Å²	66.9	60%	0.603	37%	0.366	S	S	*	.	H	α-helix	trans	-60.1	-42.2	173	-70.2	176.9	175.5	0	0	111.9	G104 K105 E111 N112	G104-E108 PolarHBondContact O-N 3.29Å; K105-E108 PolarHBondContact O-N 3.29Å; E108-E111 PolarHBondContact O-N 3.15Å; E108-N112 PolarHBondContact O-N 3.44Å; E108-N112 VanDerWaalsContact O-N 3.07Å; E108-N112 PolarHBondContact O-ND2 2.95Å
109	I	62.7	Low	59	Low	24 Å²	24	66.7 Å²	66.7	12%	0.123	36%	0.364	C	S	.	.	H	α-helix	trans	-65.2	-40.2	176.8	-70.6	161.7	0	0	0	111.1	L63 Y71 K105 L106 K107 N112 M113	L63-I109 HydrophobicContact CB-CD1 4.3Å; L63-I109 WeakPolarHBondContact O-CG2 3.43Å; Y71-I109 HydrophobicContact CE1-CG2 3.89Å; K105-I109 WeakPolarHBondContact O-CB 3.26Å; K105-I109 WeakPolarHBondContact O-CD1 3.25Å; K105-I109 WeakPolarHBondContact O-CG1 3.28Å; K105-I109 PolarHBondContact O-N 3.43Å; L106-I109 PolarHBondContact O-N 2.75Å; K107-I109 VanDerWaalsContact C-N 3.34Å; K107-I109 PolarHBondContact O-N 2.95Å; I109-N112 PolarHBondContact O-N 3.45Å; I109-M113 HydrophobicContact CG2-CE 4Å; I109-M113 PolarHBondContact O-N 3.46Å
110	Y	60.5	Low	59	Low	24 Å²	24	68.4 Å²	68.4	9%	0.094	38%	0.376	C	S	.	.	H	α-helix	trans	-64.9	-42	175.9	175	-91.9	0	0	0	112.6	L106 K107 N112 M113 K119 A122 A123 I126 Y142 V145	L106-Y110 VanDerWaalsContact O-CB 3.3Å; L106-Y110 WeakPolarHBondContact O-CB 3.36Å; L106-Y110 PolarHBondContact O-N 2.98Å; K107-Y110 PolarHBondContact O-N 3.46Å; Y110-N112 VanDerWaalsContact C-N 3.34Å; Y110-M113 PolarHBondContact O-N 3.17Å; Y110-K119 HydrophobicContact CD2-CG 3.91Å; Y110-K119 HydrophobicContact CE2-CD 4.18Å; Y110-K119 HydrophobicContact CE2-CG 3.4Å; Y110-K119 VanDerWaalsContact CE2-CG 3.4Å; Y110-K119 WeakPolarHBondContact CE2-O 3.33Å; Y110-K119 VanDerWaalsContact CZ-CE 3.49Å; Y110-K119 WeakPolarHBondContact O-CE 3.21Å; Y110-K119 PolarHBondContact O-NZ 2.94Å; Y110-A122 HydrophobicContact CD2-CB 4.25Å; Y110-A123 HydrophobicContact CE2-CB 3.87Å; Y110-I126 HydrophobicContact CD2-CD1 4.07Å; Y110-I126 HydrophobicContact CG-CD1 4Å; Y110-Y142 AromaticContact CD1-CE1 3.87Å; Y110-Y142 HydrophobicContact CD1-CE1 3.87Å; Y110-Y142 HydrophobicContact CE1-CD1 4.21Å; Y110-Y142 AromaticContact CE1-CE1 3.6Å; Y110-Y142 HydrophobicContact CE1-CE1 3.6Å; Y110-Y142 HydrophobicContact CG-CE1 4.48Å; Y110-Y142 AromaticContact CZ-CE1 4Å; Y110-V145 VanDerWaalsContact OH-CG1 3.3Å; Y110-V145 WeakPolarHBondContact OH-CG1 3.44Å
111	E	63.3	Low	59.1	Low	127 Å²	127	63 Å²	63	59%	0.593	36%	0.357	S	S	*	.	H	α-helix	trans	-64.7	-38.5	175.7	-73.9	179.8	-164	0	0	111.7	K107 E108	K107-E111 PolarHBondContact O-N 3.11Å; E108-E111 PolarHBondContact O-N 3.15Å
112	N	59.7	Low	58.8	Low	143 Å²	143	58.4 Å²	58.4	77%	0.765	33%	0.327	S	S	*	.	H	α-helix	trans	-77	-17.2	177.1	-75.8	-77.5	0	0	0	114.8	E108 I109 Y110	E108-N112 PolarHBondContact O-N 3.44Å; E108-N112 VanDerWaalsContact O-N 3.07Å; E108-N112 PolarHBondContact O-ND2 2.95Å; I109-N112 PolarHBondContact O-N 3.45Å; Y110-N112 VanDerWaalsContact C-N 3.34Å
113	M	58.5	Low	58.8	Low	22 Å²	22	57.3 Å²	57.3	11%	0.108	32%	0.322	C	S	.	.	S	Bend	trans	-75.3	136.9	179	-95.2	-155.9	-88.8	0	0	113.4	Y71 I109 Y110 N118 K119 A122	Y71-M113 HydrophobicContact CD1-CE 3.76Å; Y71-M113 HydrophobicContact CD1-SD 3.7Å; Y71-M113 HydrophobicContact CE1-CE 3.89Å; Y71-M113 HydrophobicContact CE1-CG 4.28Å; Y71-M113 HydrophobicContact CE1-SD 3.9Å; Y71-M113 HydrophobicContact CG-SD 4.35Å; I109-M113 HydrophobicContact CG2-CE 4Å; I109-M113 PolarHBondContact O-N 3.46Å; Y110-M113 PolarHBondContact O-N 3.17Å; M113-N118 HydrophobicContact SD-CB 4.4Å; M113-K119 PolarHBondContact O-NZ 2.89Å; M113-A122 HydrophobicContact CE-CB 3.77Å
114	A	46	Very low	58.9	Low	79 Å²	79	57.3 Å²	57.3	65%	0.653	32%	0.323	S	S	*	.	P	Polyproline II helix	trans	-65	151.5	174.5	0	0	0	0	0	112.3	G116	A114-G116 PolarHBondContact O-N 3.31Å
115	P	41.8	Very low	59	Low	128 Å²	128	55.4 Å²	55.4	83%	0.831	30%	0.303	S	S	*	.	S	Bend	trans	-67.9	128.4	178.8	28	-34.5	0	0	0	111.9
116	G	57.9	Low	59.1	Low	44 Å²	44	50.8 Å²	50.8	45%	0.454	28%	0.283	S	S	.	.	S	Bend	trans	164.4	178.6	-178.8	0	0	0	0	0	110.8	A114 N118 K119	A114-G116 PolarHBondContact O-N 3.31Å; G116-N118 VanDerWaalsContact C-N 3.27Å; G116-N118 PolarHBondContact O-N 3.14Å; G116-N118 VanDerWaalsContact O-N 3.11Å; G116-K119 WeakPolarHBondContact O-CB 3.38Å; G116-K119 PolarHBondContact O-N 3.16Å
117	E	54.5	Low	59	Low	124 Å²	124	50.5 Å²	50.5	58%	0.579	28%	0.281	S	S	*	.	H	α-helix	trans	-48	-44.5	-174.8	-67.1	176.6	-150.5	0	0	114	R72 K119 C120 F121	R72-E117 IonicContact CZ-OE2 3.54Å; R72-E117 VanDerWaalsContact CZ-OE2 3.29Å; R72-E117 IonicContact NH1-OE2 2.7Å; R72-E117 PolarHBondContact NH1-OE2 2.83Å; R72-E117 IonicContact NH2-OE2 3.75Å; R72-E117 PolarHBondContact NH2-OE2 3.11Å; E117-K119 PolarHBondContact O-N 3.45Å; E117-K119 VanDerWaalsContact O-N 3.14Å; E117-C120 WeakPolarHBondContact O-CB 3.32Å; E117-C120 PolarHBondContact O-N 2.7Å; E117-F121 HydrophobicContact CB-CD2 4.32Å; E117-F121 HydrophobicContact CB-CE2 4.34Å; E117-F121 VanDerWaalsContact O-CD2 3.32Å; E117-F121 WeakPolarHBondContact O-CD2 3.29Å; E117-F121 PolarHBondContact O-N 3.1Å
118	N	55.8	Low	59	Low	30 Å²	30	47.6 Å²	47.6	16%	0.16	27%	0.269	C	S	.	.	H	α-helix	trans	-62.3	-23.2	-177.9	-65.4	1.7	0	0	0	112.7	R72 M113 G116 A122	R72-N118 PolarHBondContact NH1-OD1 3.03Å; M113-N118 HydrophobicContact SD-CB 4.4Å; G116-N118 VanDerWaalsContact C-N 3.27Å; G116-N118 PolarHBondContact O-N 3.14Å; G116-N118 VanDerWaalsContact O-N 3.11Å; N118-A122 VanDerWaalsContact O-CB 3.29Å; N118-A122 WeakPolarHBondContact O-CB 3.47Å; N118-A122 PolarHBondContact O-N 3.17Å
119	K	61.2	Low	58.7	Low	38 Å²	38	41.5 Å²	41.5	17%	0.165	24%	0.24	C	C	.	.	H	α-helix	trans	-76	-39.4	173.8	-167.5	162.3	-166.4	147.9	0	111.6	Y110 M113 G116 E117 A122 A123	Y110-K119 HydrophobicContact CD2-CG 3.91Å; Y110-K119 HydrophobicContact CE2-CD 4.18Å; Y110-K119 HydrophobicContact CE2-CG 3.4Å; Y110-K119 VanDerWaalsContact CE2-CG 3.4Å; Y110-K119 WeakPolarHBondContact CE2-O 3.33Å; Y110-K119 VanDerWaalsContact CZ-CE 3.49Å; Y110-K119 WeakPolarHBondContact O-CE 3.21Å; Y110-K119 PolarHBondContact O-NZ 2.94Å; M113-K119 PolarHBondContact O-NZ 2.89Å; G116-K119 WeakPolarHBondContact O-CB 3.38Å; G116-K119 PolarHBondContact O-N 3.16Å; E117-K119 PolarHBondContact O-N 3.45Å; E117-K119 VanDerWaalsContact O-N 3.14Å; K119-A122 PolarHBondContact O-N 3.26Å; K119-A123 WeakPolarHBondContact O-CB 3.46Å; K119-A123 PolarHBondContact O-N 3.07Å
120	C	58.6	Low	58.6	Low	39 Å²	39	40.6 Å²	40.6	26%	0.264	24%	0.236	S	C	.	.	H	α-helix	trans	-64.9	-48.2	172.6	-60.1	0	0	0	0	111	E117 A122 A123 D124 V145	E117-C120 WeakPolarHBondContact O-CB 3.32Å; E117-C120 PolarHBondContact O-N 2.7Å; C120-A122 VanDerWaalsContact C-N 3.26Å; C120-A122 PolarHBondContact O-N 3.39Å; C120-A123 WeakPolarHBondContact O-CA 3.33Å; C120-A123 WeakPolarHBondContact O-CB 3.42Å; C120-A123 PolarHBondContact O-N 2.7Å; C120-D124 VanDerWaalsContact O-CG 3.28Å; C120-D124 PolarHBondContact O-N 3.4Å; C120-D124 VanDerWaalsContact O-OD2 3.13Å; C120-V145 PolarHBondContact SG-O 2.87Å
121	F	59.7	Low	58.3	Low	27 Å²	27	41 Å²	41	12%	0.118	24%	0.24	C	C	.	.	H	α-helix	trans	-60.3	-32.6	174.9	-78.1	-66.4	0	0	0	113.6	R72 L75 E117 I125	R72-F121 VanDerWaalsContact CZ-CE2 3.45Å; L75-F121 HydrophobicContact CD1-CB 4.31Å; E117-F121 HydrophobicContact CB-CD2 4.32Å; E117-F121 HydrophobicContact CB-CE2 4.34Å; E117-F121 VanDerWaalsContact O-CD2 3.32Å; E117-F121 WeakPolarHBondContact O-CD2 3.29Å; E117-F121 PolarHBondContact O-N 3.1Å; F121-I125 PolarHBondContact O-N 3.32Å
122	A	57.3	Low	57.9	Low	6 Å²	6	35.9 Å²	35.9	5%	0.05	22%	0.217	C	C	.	.	H	α-helix	trans	-70.7	-38.8	171.1	0	0	0	0	0	112	L75 Y110 M113 N118 K119 C120 I125 I126	L75-A122 HydrophobicContact CD2-CB 4.33Å; Y110-A122 HydrophobicContact CD2-CB 4.25Å; M113-A122 HydrophobicContact CE-CB 3.77Å; N118-A122 VanDerWaalsContact O-CB 3.29Å; N118-A122 WeakPolarHBondContact O-CB 3.47Å; N118-A122 PolarHBondContact O-N 3.17Å; K119-A122 PolarHBondContact O-N 3.26Å; C120-A122 VanDerWaalsContact C-N 3.26Å; C120-A122 PolarHBondContact O-N 3.39Å; A122-I125 PolarHBondContact O-N 2.9Å; A122-I126 WeakPolarHBondContact O-CB 3.39Å; A122-I126 WeakPolarHBondContact O-CD1 3.29Å; A122-I126 WeakPolarHBondContact O-CG1 3.42Å; A122-I126 PolarHBondContact O-N 3.38Å
123	A	59.5	Low	57.3	Low	0 Å²	0	33.1 Å²	33.1	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-62.8	-42.2	175.5	0	0	0	0	0	112	Y110 K119 C120 I125 I126 S127 Y142	Y110-A123 HydrophobicContact CE2-CB 3.87Å; K119-A123 WeakPolarHBondContact O-CB 3.46Å; K119-A123 PolarHBondContact O-N 3.07Å; C120-A123 WeakPolarHBondContact O-CA 3.33Å; C120-A123 WeakPolarHBondContact O-CB 3.42Å; C120-A123 PolarHBondContact O-N 2.7Å; A123-I125 VanDerWaalsContact C-N 3.33Å; A123-I125 PolarHBondContact O-N 3.34Å; A123-I126 PolarHBondContact O-N 3.16Å; A123-I126 VanDerWaalsContact O-N 3.16Å; A123-S127 PolarHBondContact O-N 3.03Å; A123-Y142 HydrophobicContact CB-CD1 4.43Å; A123-Y142 WeakPolarHBondContact CB-O 3.47Å
124	D	62.8	Low	56.7	Low	10 Å²	10	37.6 Å²	37.6	5%	0.053	23%	0.234	C	C	.	.	H	α-helix	trans	-59.5	-41.9	176.2	-60.4	-40.8	0	0	0	111.9	C120 S127 V128 G146 S147 W154	C120-D124 VanDerWaalsContact O-CG 3.28Å; C120-D124 PolarHBondContact O-N 3.4Å; C120-D124 VanDerWaalsContact O-OD2 3.13Å; D124-S127 PolarHBondContact O-OG 3.37Å; D124-V128 VanDerWaalsContact O-CG2 3.29Å; D124-V128 WeakPolarHBondContact O-CG2 3.44Å; D124-V128 PolarHBondContact O-N 2.95Å; D124-G146 WeakPolarHBondContact OD1-CA 3.36Å; D124-S147 PolarHBondContact OD1-N 2.96Å; D124-S147 WeakPolarHBondContact OD2-CB 3.37Å; D124-S147 PolarHBondContact OD2-N 3.04Å; D124-W154 HydrophobicContact CB-CZ2 4.48Å
125	I	64.4	Low	56.6	Low	2 Å²	2	35.5 Å²	35.5	1%	0.01	22%	0.22	C	C	.	.	H	α-helix	trans	-72	-35.3	176.7	-74.4	163.2	0	0	0	111.4	L75 L78 R79 L106 F121 A122 A123 V128 L129 W154	L75-I125 HydrophobicContact CB-CD1 4.2Å; L75-I125 HydrophobicContact CD2-CD1 3.74Å; L78-I125 HydrophobicContact CD2-CD1 4.44Å; L78-I125 HydrophobicContact CD2-CG2 3.95Å; R79-I125 HydrophobicContact CB-CD1 4.36Å; L106-I125 HydrophobicContact CD2-CG2 4.31Å; F121-I125 PolarHBondContact O-N 3.32Å; A122-I125 PolarHBondContact O-N 2.9Å; A123-I125 VanDerWaalsContact C-N 3.33Å; A123-I125 PolarHBondContact O-N 3.34Å; I125-V128 PolarHBondContact O-N 3.16Å; I125-L129 HydrophobicContact CG2-CD1 3.97Å; I125-L129 WeakPolarHBondContact O-CD1 3.43Å; I125-L129 VanDerWaalsContact O-CG 3.26Å; I125-L129 WeakPolarHBondContact O-CG 3.26Å; I125-L129 PolarHBondContact O-N 3.3Å; I125-W154 HydrophobicContact CG1-CH2 4.01Å
126	I	64.8	Low	56.9	Low	2 Å²	2	37.9 Å²	37.9	1%	0.01	22%	0.22	C	C	.	.	H	α-helix	trans	-68.8	-39.6	176.4	-69.9	165.4	0	0	0	111.2	Y103 L106 Y110 A122 A123 V128 L129 A130 Y142	Y103-I126 HydrophobicContact CE2-CG2 3.93Å; L106-I126 HydrophobicContact CB-CD1 4.35Å; L106-I126 HydrophobicContact CB-CG1 4.22Å; L106-I126 HydrophobicContact CD2-CG1 4.2Å; Y110-I126 HydrophobicContact CD2-CD1 4.07Å; Y110-I126 HydrophobicContact CG-CD1 4Å; A122-I126 WeakPolarHBondContact O-CB 3.39Å; A122-I126 WeakPolarHBondContact O-CD1 3.29Å; A122-I126 WeakPolarHBondContact O-CG1 3.42Å; A122-I126 PolarHBondContact O-N 3.38Å; A123-I126 PolarHBondContact O-N 3.16Å; A123-I126 VanDerWaalsContact O-N 3.16Å; I126-V128 PolarHBondContact O-N 3.22Å; I126-L129 PolarHBondContact O-N 2.93Å; I126-A130 PolarHBondContact O-N 3.48Å; I126-Y142 HydrophobicContact CB-CG 4.4Å; I126-Y142 HydrophobicContact CG2-CD1 4.22Å; I126-Y142 HydrophobicContact CG2-CD2 3.44Å; I126-Y142 VanDerWaalsContact CG2-CD2 3.44Å; I126-Y142 HydrophobicContact CG2-CE1 4.4Å; I126-Y142 HydrophobicContact CG2-CE2 3.66Å; I126-Y142 HydrophobicContact CG2-CG 3.76Å
127	S	60.6	Low	56.5	Low	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-63.5	-41.3	175.1	71.5	0	0	0	0	111.5	A123 D124 L129 A130 C139 Y158	A123-S127 PolarHBondContact O-N 3.03Å; D124-S127 PolarHBondContact O-OG 3.37Å; S127-L129 VanDerWaalsContact C-N 3.29Å; S127-L129 PolarHBondContact O-N 3.41Å; S127-A130 WeakPolarHBondContact O-CB 3.19Å; S127-A130 PolarHBondContact O-N 3.37Å; S127-C139 PolarHBondContact O-SG 2.72Å; S127-Y158 PolarHBondContact OG-OH 3.2Å
128	V	62.6	Low	56.4	Low	2 Å²	2	35.9 Å²	35.9	1%	0.012	20%	0.195	C	C	.	.	H	α-helix	trans	-64.9	-30.5	174.6	167.3	0	0	0	0	112.4	I82 L96 D124 I125 I126 M131 W154 Y158	I82-V128 HydrophobicContact CG2-CG1 4.24Å; L96-V128 HydrophobicContact CD2-CG1 4.32Å; D124-V128 VanDerWaalsContact O-CG2 3.29Å; D124-V128 WeakPolarHBondContact O-CG2 3.44Å; D124-V128 PolarHBondContact O-N 2.95Å; I125-V128 PolarHBondContact O-N 3.16Å; I126-V128 PolarHBondContact O-N 3.22Å; V128-M131 HydrophobicContact CB-CE 4.24Å; V128-M131 HydrophobicContact CG1-CE 3.87Å; V128-M131 HydrophobicContact CG2-CE 4.4Å; V128-M131 WeakPolarHBondContact O-CE 3.11Å; V128-M131 WeakPolarHBondContact O-CG 3.43Å; V128-W154 HydrophobicContact CB-CE3 4.35Å; V128-W154 HydrophobicContact CB-CZ3 4.37Å; V128-W154 HydrophobicContact CG1-CE3 3.96Å; V128-W154 HydrophobicContact CG1-CZ3 4.01Å; V128-W154 HydrophobicContact CG2-CD2 3.74Å; V128-W154 HydrophobicContact CG2-CE3 3.62Å; V128-W154 HydrophobicContact CG2-CG 4.19Å; V128-W154 HydrophobicContact CG2-CH2 4.42Å; V128-W154 HydrophobicContact CG2-CZ3 3.99Å; V128-Y158 HydrophobicContact CG2-CD2 4.33Å; V128-Y158 HydrophobicContact CG2-CE1 4.31Å; V128-Y158 HydrophobicContact CG2-CE2 4.04Å
129	L	61.3	Low	56.3	Low	1 Å²	1	34.5 Å²	34.5	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-77.3	-31.4	174.2	-73.7	165	0	0	0	113.3	L96 L99 Y103 L106 I125 I126 S127 M131 T132	L96-L129 HydrophobicContact CD2-CD2 3.84Å; L99-L129 HydrophobicContact CB-CD2 3.45Å; L99-L129 VanDerWaalsContact CB-CD2 3.45Å; L99-L129 HydrophobicContact CD1-CD2 4.15Å; L99-L129 HydrophobicContact CD2-CD1 4.25Å; L99-L129 HydrophobicContact CD2-CD2 4.25Å; L99-L129 HydrophobicContact CG-CD2 4.16Å; Y103-L129 HydrophobicContact CD2-CB 3.88Å; Y103-L129 HydrophobicContact CE2-CB 4.11Å; L106-L129 HydrophobicContact CD2-CD1 3.85Å; I125-L129 HydrophobicContact CG2-CD1 3.97Å; I125-L129 WeakPolarHBondContact O-CD1 3.43Å; I125-L129 VanDerWaalsContact O-CG 3.26Å; I125-L129 WeakPolarHBondContact O-CG 3.26Å; I125-L129 PolarHBondContact O-N 3.3Å; I126-L129 PolarHBondContact O-N 2.93Å; S127-L129 VanDerWaalsContact C-N 3.29Å; S127-L129 PolarHBondContact O-N 3.41Å; L129-M131 PolarHBondContact O-N 3.37Å; L129-M131 VanDerWaalsContact O-N 3.13Å; L129-T132 PolarHBondContact O-N 2.93Å; L129-T132 PolarHBondContact O-OG1 2.84Å
130	A	58.8	Low	56.1	Low	4 Å²	4	32.7 Å²	32.7	3%	0.033	18%	0.18	C	C	.	.	H	α-helix	trans	-59	-23.9	-179.3	0	0	0	0	0	113.2	Y103 I126 S127 T132 M133 C139	Y103-A130 HydrophobicContact CE2-CB 4.34Å; I126-A130 PolarHBondContact O-N 3.48Å; S127-A130 WeakPolarHBondContact O-CB 3.19Å; S127-A130 PolarHBondContact O-N 3.37Å; A130-T132 PolarHBondContact O-N 3.3Å; A130-M133 CarbonylContact O-C 3.59Å; A130-M133 PolarHBondContact O-N 2.96Å; A130-C139 HydrophobicContact CB-CB 3.92Å
131	M	55.5	Low	56	Low	34 Å²	34	36 Å²	36	17%	0.167	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.7	-30.5	169	-61.3	-174.7	-146	0	0	114.3	L96 V128 L129 Y158	L96-M131 HydrophobicContact CD1-SD 4.36Å; V128-M131 HydrophobicContact CB-CE 4.24Å; V128-M131 HydrophobicContact CG1-CE 3.87Å; V128-M131 HydrophobicContact CG2-CE 4.4Å; V128-M131 WeakPolarHBondContact O-CE 3.11Å; V128-M131 WeakPolarHBondContact O-CG 3.43Å; L129-M131 PolarHBondContact O-N 3.37Å; L129-M131 VanDerWaalsContact O-N 3.13Å; M131-Y158 HydrophobicContact CE-CD2 3.68Å; M131-Y158 HydrophobicContact CE-CG 3.9Å
132	T	54.1	Low	55.8	Low	19 Å²	19	35.8 Å²	35.8	12%	0.117	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-3.9	-173.4	66.4	0	0	0	0	114.4	V92 L96 R100 L129 A130	V92-T132 HydrophobicContact CG1-CG2 4.19Å; L96-T132 HydrophobicContact CB-CG2 3.75Å; L96-T132 HydrophobicContact CD1-CG2 4.5Å; R100-T132 PolarHBondContact NE-O 3.35Å; R100-T132 PolarHBondContact NH2-O 3.16Å; L129-T132 PolarHBondContact O-N 2.93Å; L129-T132 PolarHBondContact O-OG1 2.84Å; A130-T132 PolarHBondContact O-N 3.3Å
133	M	48.4	Very low	55.7	Low	84 Å²	84	36.8 Å²	36.8	41%	0.414	19%	0.191	S	C	.	.	S	Bend	trans	-131	94.5	-179.7	-96.2	-84.2	-77.9	0	0	107.2	R100 Y103 A130 G135	R100-M133 HydrophobicContact CG-CG 4.39Å; Y103-M133 HydrophobicContact CD1-CE 3.91Å; Y103-M133 HydrophobicContact CE1-CE 4.32Å; A130-M133 CarbonylContact O-C 3.59Å; A130-M133 PolarHBondContact O-N 2.96Å; M133-G135 PolarHBondContact O-N 2.94Å
134	S	44.2	Very low	55.6	Low	116 Å²	116	40 Å²	40	81%	0.811	21%	0.208	S	C	*	.			trans	-67.8	63.5	-179	-47.6	0	0	0	0	112.5
135	G	45.4	Very low	55.3	Low	36 Å²	36	43 Å²	43	37%	0.371	23%	0.226	S	C	.	.			trans	-93.5	112.6	163.4	0	0	0	0	0	108.2	M133 R137 E138	M133-G135 PolarHBondContact O-N 2.94Å; G135-R137 PolarHBondContact O-N 2.86Å; G135-E138 PolarHBondContact O-N 2.93Å
136	E	47.8	Very low	54.7	Low	177 Å²	177	43.6 Å²	43.6	83%	0.827	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	135.9	-176.7	-64.7	165.7	152.9	0	0	111	E138	E136-E138 PolarHBondContact O-N 2.64Å
137	R	48.8	Very low	53.7	Low	85 Å²	85	46 Å²	46	32%	0.321	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.1	26.7	176.1	-49.4	157.5	132.4	133	-6.6	115.3	G135 K141 E172	G135-R137 PolarHBondContact O-N 2.86Å; R137-K141 WeakPolarHBondContact O-CD 3.38Å; R137-K141 WeakPolarHBondContact O-CE 3.2Å; R137-K141 VanDerWaalsContact O-CG 3.28Å; R137-K141 WeakPolarHBondContact O-CG 3.4Å; R137-K141 PolarHBondContact O-NZ 3.36Å; R137-E172 IonicContact CZ-OE1 2.67Å; R137-E172 IonicContact CZ-OE2 2.81Å; R137-E172 IonicContact NH1-OE1 3.83Å; R137-E172 PolarHBondContact NH1-OE1 3.44Å; R137-E172 IonicContact NH1-OE2 3.7Å; R137-E172 VanDerWaalsContact NH2-CD 3.26Å; R137-E172 IonicContact NH2-OE1 2.72Å; R137-E172 PolarHBondContact NH2-OE1 3.08Å; R137-E172 IonicContact NH2-OE2 2.65Å
138	E	53.3	Low	53.1	Low	41 Å²	41	54.7 Å²	54.7	19%	0.192	29%	0.291	C	S	.	.	H	α-helix	trans	-93.8	-45.7	171.7	-66.7	-149.2	145.9	0	0	113.2	Y103 K107 G135 E136 L140 K141 Y142	Y103-E138 VanDerWaalsContact CE1-OE2 3.31Å; Y103-E138 WeakPolarHBondContact CE1-OE2 3.36Å; Y103-E138 PolarHBondContact OH-OE2 2.86Å; K107-E138 IonicContact NZ-OE1 2.75Å; K107-E138 PolarHBondContact NZ-OE1 3.13Å; G135-E138 PolarHBondContact O-N 2.93Å; E136-E138 PolarHBondContact O-N 2.64Å; E138-L140 VanDerWaalsContact C-N 3.31Å; E138-L140 PolarHBondContact O-N 2.65Å; E138-K141 PolarHBondContact O-N 2.87Å; E138-Y142 HydrophobicContact CB-CD2 4.23Å; E138-Y142 HydrophobicContact CB-CE2 4.16Å; E138-Y142 WeakPolarHBondContact O-CD2 3.28Å; E138-Y142 PolarHBondContact O-N 3.21Å
139	C	54.2	Low	52.5	Low	1 Å²	1	57.1 Å²	57.1	1%	0.007	30%	0.302	C	S	.	.	H	α-helix	trans	-60.5	-45.1	176.2	-171.6	0	0	0	0	110.7	S127 A130 Y142 R143 E165	S127-C139 PolarHBondContact O-SG 2.72Å; A130-C139 HydrophobicContact CB-CB 3.92Å; C139-Y142 PolarHBondContact O-N 2.93Å; C139-R143 WeakPolarHBondContact O-CB 3.42Å; C139-R143 PolarHBondContact O-N 3.16Å; C139-E165 WeakPolarHBondContact CB-OE1 3.42Å; C139-E165 WeakPolarHBondContact CB-OE2 3.23Å
140	L	55.3	Low	51.8	Low	0 Å²	0	64.3 Å²	64.3	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-39.7	-69.1	167.2	164.8	139.7	0	0	0	113.2	E138 Y142 R143 L144 L162 E165 V166 E169 L184 L187	E138-L140 VanDerWaalsContact C-N 3.31Å; E138-L140 PolarHBondContact O-N 2.65Å; L140-Y142 PolarHBondContact O-N 2.89Å; L140-R143 PolarHBondContact O-N 3.16Å; L140-L144 HydrophobicContact CD1-CD1 4.12Å; L140-L144 HydrophobicContact CD1-CG 4.22Å; L140-L144 HydrophobicContact CG-CD1 4.16Å; L140-L144 PolarHBondContact O-N 2.8Å; L140-L162 HydrophobicContact CB-CD1 4.22Å; L140-E165 PolarHBondContact N-OE2 3.21Å; L140-V166 HydrophobicContact CD1-CG2 3.9Å; L140-V166 HydrophobicContact CD2-CG2 3.85Å; L140-V166 HydrophobicContact CG-CG2 4.43Å; L140-E169 HydrophobicContact CD2-CB 3.96Å; L140-E169 HydrophobicContact CD2-CG 4.3Å; L140-E169 VanDerWaalsContact CD2-OE1 3.31Å; L140-E169 WeakPolarHBondContact CD2-OE1 3.42Å; L140-L184 HydrophobicContact CD1-CD2 3.73Å; L140-L184 HydrophobicContact CD2-CD2 3.97Å; L140-L184 HydrophobicContact CG-CD2 4.32Å; L140-L187 HydrophobicContact CD1-CD2 3.46Å; L140-L187 VanDerWaalsContact CD1-CD2 3.46Å
141	K	58.1	Low	51.7	Low	108 Å²	108	64.4 Å²	64.4	47%	0.47	34%	0.335	S	S	.	.	H	α-helix	trans	-64.8	-37.3	-173.9	-68.1	173.9	-164.5	130.8	0	113.7	R137 E138 L144 V145	R137-K141 WeakPolarHBondContact O-CD 3.38Å; R137-K141 WeakPolarHBondContact O-CE 3.2Å; R137-K141 VanDerWaalsContact O-CG 3.28Å; R137-K141 WeakPolarHBondContact O-CG 3.4Å; R137-K141 PolarHBondContact O-NZ 3.36Å; E138-K141 PolarHBondContact O-N 2.87Å; K141-L144 PolarHBondContact O-N 3.49Å; K141-V145 WeakPolarHBondContact O-CG2 3.35Å; K141-V145 PolarHBondContact O-N 2.9Å
142	Y	54.4	Low	51.5	Low	24 Å²	24	65.5 Å²	65.5	9%	0.094	35%	0.35	C	S	.	.	H	α-helix	trans	-72.1	-30.6	178.4	-70.7	-60.1	0	0	0	111.9	K107 Y110 A123 I126 E138 C139 L140 V145 G146	K107-Y142 WeakPolarHBondContact CE-OH 3.44Å; Y110-Y142 AromaticContact CD1-CE1 3.87Å; Y110-Y142 HydrophobicContact CD1-CE1 3.87Å; Y110-Y142 HydrophobicContact CE1-CD1 4.21Å; Y110-Y142 AromaticContact CE1-CE1 3.6Å; Y110-Y142 HydrophobicContact CE1-CE1 3.6Å; Y110-Y142 HydrophobicContact CG-CE1 4.48Å; Y110-Y142 AromaticContact CZ-CE1 4Å; A123-Y142 HydrophobicContact CB-CD1 4.43Å; A123-Y142 WeakPolarHBondContact CB-O 3.47Å; I126-Y142 HydrophobicContact CB-CG 4.4Å; I126-Y142 HydrophobicContact CG2-CD1 4.22Å; I126-Y142 HydrophobicContact CG2-CD2 3.44Å; I126-Y142 VanDerWaalsContact CG2-CD2 3.44Å; I126-Y142 HydrophobicContact CG2-CE1 4.4Å; I126-Y142 HydrophobicContact CG2-CE2 3.66Å; I126-Y142 HydrophobicContact CG2-CG 3.76Å; E138-Y142 HydrophobicContact CB-CD2 4.23Å; E138-Y142 HydrophobicContact CB-CE2 4.16Å; E138-Y142 WeakPolarHBondContact O-CD2 3.28Å; E138-Y142 PolarHBondContact O-N 3.21Å; C139-Y142 PolarHBondContact O-N 2.93Å; L140-Y142 PolarHBondContact O-N 2.89Å; Y142-V145 CarbonylContact O-C 3.52Å; Y142-V145 PolarHBondContact O-N 2.91Å; Y142-G146 PolarHBondContact O-N 2.76Å
143	R	54.9	Low	51.7	Low	27 Å²	27	66.2 Å²	66.2	10%	0.102	36%	0.356	C	S	.	.	H	α-helix	trans	-71.5	-37.8	171	-166.7	173.3	-164.6	149	14	113.2	C139 L140 V145 G146 L162	C139-R143 WeakPolarHBondContact O-CB 3.42Å; C139-R143 PolarHBondContact O-N 3.16Å; L140-R143 PolarHBondContact O-N 3.16Å; R143-V145 PolarHBondContact O-N 2.95Å; R143-V145 VanDerWaalsContact O-N 3.17Å; R143-G146 PolarHBondContact O-N 3.08Å; R143-L162 HydrophobicContact CB-CD1 4.34Å; R143-L162 VanDerWaalsContact CD-CD1 3.49Å
144	L	58.3	Low	52.1	Low	68 Å²	68	62.9 Å²	62.9	36%	0.356	34%	0.339	S	S	.	.	H	α-helix	trans	-60.8	-19.1	173.4	-88.9	158.4	0	0	0	114	L140 K141 P183	L140-L144 HydrophobicContact CD1-CD1 4.12Å; L140-L144 HydrophobicContact CD1-CG 4.22Å; L140-L144 HydrophobicContact CG-CD1 4.16Å; L140-L144 PolarHBondContact O-N 2.8Å; K141-L144 PolarHBondContact O-N 3.49Å; L144-P183 HydrophobicContact CD2-CB 3.56Å; L144-P183 HydrophobicContact CD2-CG 4.39Å
145	V	56.6	Low	52.8	Low	71 Å²	71	58.2 Å²	58.2	43%	0.43	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	-1.1	174.9	-173.8	0	0	0	0	112	Y110 C120 K141 Y142 R143	Y110-V145 VanDerWaalsContact OH-CG1 3.3Å; Y110-V145 WeakPolarHBondContact OH-CG1 3.44Å; C120-V145 PolarHBondContact SG-O 2.87Å; K141-V145 WeakPolarHBondContact O-CG2 3.35Å; K141-V145 PolarHBondContact O-N 2.9Å; Y142-V145 CarbonylContact O-C 3.52Å; Y142-V145 PolarHBondContact O-N 2.91Å; R143-V145 PolarHBondContact O-N 2.95Å; R143-V145 VanDerWaalsContact O-N 3.17Å
146	G	51.1	Low	53.6	Low	16 Å²	16	60.5 Å²	60.5	17%	0.165	31%	0.31	C	S	.	.	S	Bend	trans	-75.8	-175.2	179.5	0	0	0	0	0	113.6	D124 Y142 R143	D124-G146 WeakPolarHBondContact OD1-CA 3.36Å; Y142-G146 PolarHBondContact O-N 2.76Å; R143-G146 PolarHBondContact O-N 3.08Å
147	S	43.9	Very low	54.2	Low	51 Å²	51	56 Å²	56	36%	0.357	29%	0.289	S	S	.	.			trans	-84.4	146.2	173.7	-150.3	0	0	0	0	111	D124 E149	D124-S147 PolarHBondContact OD1-N 2.96Å; D124-S147 WeakPolarHBondContact OD2-CB 3.37Å; D124-S147 PolarHBondContact OD2-N 3.04Å; S147-E149 PolarHBondContact O-N 2.67Å
148	Q	48.5	Very low	54.9	Low	183 Å²	183	52 Å²	52	86%	0.855	27%	0.274	S	S	*	.			trans	-74.4	69.9	171.5	-69.1	-179.7	-35	0	0	109.6
149	E	48.6	Very low	55.4	Low	54 Å²	54	50 Å²	50	25%	0.252	27%	0.265	S	S	.	.			trans	-118	139.6	-177	-158.3	-172	-118.4	0	0	112.1	R79 R83 S147 L151	R79-E149 IonicContact CZ-OE1 3.46Å; R79-E149 IonicContact CZ-OE2 4Å; R79-E149 IonicContact NE-OE2 3.25Å; R79-E149 IonicContact NH1-OE1 3.65Å; R79-E149 IonicContact NH2-OE1 2.72Å; R79-E149 PolarHBondContact NH2-OE1 3.04Å; R79-E149 IonicContact NH2-OE2 2.82Å; R79-E149 PolarHBondContact NH2-OE2 3.33Å; R83-E149 IonicContact NH2-OE2 3.51Å; R83-E149 PolarHBondContact NH2-OE2 3.27Å; S147-E149 PolarHBondContact O-N 2.67Å; E149-L151 PolarHBondContact O-N 3.06Å
150	E	48.6	Very low	55.9	Low	151 Å²	151	57.3 Å²	57.3	71%	0.706	29%	0.292	S	S	*	.			trans	-52.8	127.2	-164.8	-61.1	175.1	163.2	0	0	114.6	A152 S153	E150-A152 PolarHBondContact O-N 3.01Å; E150-A152 VanDerWaalsContact O-N 3.16Å; E150-S153 WeakPolarHBondContact O-CB 3.16Å; E150-S153 PolarHBondContact O-N 2.94Å; E150-S153 VanDerWaalsContact O-N 3.1Å; E150-S153 PolarHBondContact O-OG 3.21Å
151	L	56.5	Low	56.4	Low	6 Å²	6	60.8 Å²	60.8	3%	0.031	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-52.2	-38.1	-179.6	-90	71.3	0	0	0	114	E149 S153 W154 V159 L187 E190 I191	E149-L151 PolarHBondContact O-N 3.06Å; L151-S153 PolarHBondContact O-N 2.9Å; L151-W154 PolarHBondContact O-N 2.98Å; L151-V159 HydrophobicContact CB-CG2 4.2Å; L151-V159 HydrophobicContact CD2-CG1 4.08Å; L151-V159 HydrophobicContact CD2-CG2 4.04Å; L151-V159 HydrophobicContact CG-CG2 4.35Å; L151-L187 HydrophobicContact CD1-CD1 4.38Å; L151-E190 HydrophobicContact CD1-CB 3.91Å; L151-E190 WeakPolarHBondContact CD1-OE2 3.44Å; L151-I191 HydrophobicContact CD2-CB 4.17Å; L151-I191 HydrophobicContact CD2-CG1 3.42Å; L151-I191 VanDerWaalsContact CD2-CG1 3.42Å
152	A	51.1	Low	56.7	Low	58 Å²	58	55.6 Å²	55.6	48%	0.479	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-54	-23.2	-178.9	0	0	0	0	0	113.6	E150 W154 Y194	E150-A152 PolarHBondContact O-N 3.01Å; E150-A152 VanDerWaalsContact O-N 3.16Å; A152-W154 VanDerWaalsContact C-N 3.31Å; A152-W154 PolarHBondContact O-N 3.3Å; A152-Y194 VanDerWaalsContact CA-CE2 3.44Å; A152-Y194 HydrophobicContact CB-CD2 4.03Å; A152-Y194 HydrophobicContact CB-CE2 3.51Å
153	S	57.3	Low	57.1	Low	34 Å²	34	55.1 Å²	55.1	24%	0.238	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-81.5	-0.9	-174.8	74.2	0	0	0	0	115.2	R83 E150 L151	R83-S153 WeakPolarHBondContact CD-O 3.46Å; R83-S153 WeakPolarHBondContact CG-O 3.5Å; R83-S153 PolarHBondContact NE-O 3.22Å; R83-S153 PolarHBondContact NH2-OG 3Å; E150-S153 WeakPolarHBondContact O-CB 3.16Å; E150-S153 PolarHBondContact O-N 2.94Å; E150-S153 VanDerWaalsContact O-N 3.1Å; E150-S153 PolarHBondContact O-OG 3.21Å; L151-S153 PolarHBondContact O-N 2.9Å
154	W	56.3	Low	57.6	Low	13 Å²	13	55.4 Å²	55.4	5%	0.049	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.6	-8.8	-178.4	-64.9	105.8	0	0	0	114.9	R79 I82 D124 I125 V128 L151 A152 Y158	R79-W154 HydrophobicContact CB-CH2 4.35Å; R79-W154 HydrophobicContact CG-CH2 3.79Å; R79-W154 HydrophobicContact CG-CZ2 4.21Å; R79-W154 HydrophobicContact CG-CZ3 4.48Å; I82-W154 HydrophobicContact CG2-CE3 4.36Å; I82-W154 HydrophobicContact CG2-CZ3 4.04Å; D124-W154 HydrophobicContact CB-CZ2 4.48Å; I125-W154 HydrophobicContact CG1-CH2 4.01Å; V128-W154 HydrophobicContact CB-CE3 4.35Å; V128-W154 HydrophobicContact CB-CZ3 4.37Å; V128-W154 HydrophobicContact CG1-CE3 3.96Å; V128-W154 HydrophobicContact CG1-CZ3 4.01Å; V128-W154 HydrophobicContact CG2-CD2 3.74Å; V128-W154 HydrophobicContact CG2-CE3 3.62Å; V128-W154 HydrophobicContact CG2-CG 4.19Å; V128-W154 HydrophobicContact CG2-CH2 4.42Å; V128-W154 HydrophobicContact CG2-CZ3 3.99Å; L151-W154 PolarHBondContact O-N 2.98Å; A152-W154 VanDerWaalsContact C-N 3.31Å; A152-W154 PolarHBondContact O-N 3.3Å; W154-Y158 HydrophobicContact CB-CD1 3.45Å; W154-Y158 VanDerWaalsContact CB-CD1 3.45Å; W154-Y158 HydrophobicContact CB-CE1 3.96Å; W154-Y158 HydrophobicContact CB-CG 4.19Å; W154-Y158 HydrophobicContact CG-CD1 4.15Å; W154-Y158 HydrophobicContact CG-CE1 4.15Å
155	G	60.6	Low	58.1	Low	18 Å²	18	53.5 Å²	53.5	19%	0.186	29%	0.287	C	S	.	.			trans	91.1	163.9	168.1	0	0	0	0	0	116.5	E157 Y158 V159	G155-E157 PolarHBondContact O-N 3.32Å; G155-Y158 WeakPolarHBondContact O-CB 3.38Å; G155-Y158 PolarHBondContact O-N 3.22Å; G155-Y158 VanDerWaalsContact O-N 3.16Å; G155-V159 PolarHBondContact O-N 3.44Å
156	H	60.5	Low	58.5	Low	84 Å²	84	50.1 Å²	50.1	39%	0.389	27%	0.266	S	S	.	.	H	α-helix	trans	-61	-38	-169.4	-61.4	-65.5	0	0	0	114.9	Y158 V159 R160 Y194 H198	H156-Y158 PolarHBondContact O-N 2.81Å; H156-V159 PolarHBondContact O-N 2.83Å; H156-R160 WeakPolarHBondContact O-CB 3.43Å; H156-R160 PolarHBondContact O-N 3.24Å; H156-Y194 AromaticContact CE1-CE1 3.83Å; H156-Y194 AromaticContact CE1-CZ 3.69Å; H156-Y194 PolarHBondContact CE1-OH 2.67Å; H156-Y194 AromaticContact ND1-CE1 3.66Å; H156-Y194 AromaticContact ND1-CZ 3.95Å; H156-H198 AromaticContact CE1-CD2 3.92Å; H156-H198 AromaticContact CE1-CG 3.43Å; H156-H198 VanDerWaalsContact CE1-CG 3.43Å; H156-H198 AromaticContact CE1-ND1 3.55Å; H156-H198 AromaticContact NE2-ND1 3.8Å
157	E	61.1	Low	58.9	Low	82 Å²	82	49.9 Å²	49.9	38%	0.383	26%	0.263	S	S	.	.	H	α-helix	trans	-60.8	-34.6	178.3	-65.4	-172.4	158.5	0	0	111.9	G155 H161	G155-E157 PolarHBondContact O-N 3.32Å; E157-H161 WeakPolarHBondContact O-CB 2.98Å; E157-H161 PolarHBondContact O-N 2.91Å
158	Y	64.3	Low	60	Low	2 Å²	2	54.2 Å²	54.2	1%	0.008	28%	0.275	C	S	.	.	H	α-helix	trans	-66.9	-50	174.1	-179.3	-136.8	0	0	0	111.6	S127 V128 M131 W154 G155 H156 R160 H161 L162	S127-Y158 PolarHBondContact OG-OH 3.2Å; V128-Y158 HydrophobicContact CG2-CD2 4.33Å; V128-Y158 HydrophobicContact CG2-CE1 4.31Å; V128-Y158 HydrophobicContact CG2-CE2 4.04Å; M131-Y158 HydrophobicContact CE-CD2 3.68Å; M131-Y158 HydrophobicContact CE-CG 3.9Å; W154-Y158 HydrophobicContact CB-CD1 3.45Å; W154-Y158 VanDerWaalsContact CB-CD1 3.45Å; W154-Y158 HydrophobicContact CB-CE1 3.96Å; W154-Y158 HydrophobicContact CB-CG 4.19Å; W154-Y158 HydrophobicContact CG-CD1 4.15Å; W154-Y158 HydrophobicContact CG-CE1 4.15Å; G155-Y158 WeakPolarHBondContact O-CB 3.38Å; G155-Y158 PolarHBondContact O-N 3.22Å; G155-Y158 VanDerWaalsContact O-N 3.16Å; H156-Y158 PolarHBondContact O-N 2.81Å; Y158-R160 VanDerWaalsContact C-N 3.28Å; Y158-R160 PolarHBondContact O-N 2.84Å; Y158-H161 PolarHBondContact O-N 2.81Å; Y158-L162 HydrophobicContact CE2-CD1 4.18Å; Y158-L162 WeakPolarHBondContact O-CB 3.19Å; Y158-L162 PolarHBondContact O-N 2.99Å
159	V	64	Low	60.7	Low	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-62.8	-38.8	-177.6	-177.1	0	0	0	0	110.7	L151 G155 H156 A163 I191 Y194 N195	L151-V159 HydrophobicContact CB-CG2 4.2Å; L151-V159 HydrophobicContact CD2-CG1 4.08Å; L151-V159 HydrophobicContact CD2-CG2 4.04Å; L151-V159 HydrophobicContact CG-CG2 4.35Å; G155-V159 PolarHBondContact O-N 3.44Å; H156-V159 PolarHBondContact O-N 2.83Å; V159-A163 WeakPolarHBondContact O-CB 3.44Å; V159-A163 PolarHBondContact O-N 3.15Å; V159-I191 HydrophobicContact CG1-CG1 4.41Å; V159-I191 HydrophobicContact CG1-CG2 3.92Å; V159-Y194 HydrophobicContact CB-CD1 4.41Å; V159-Y194 HydrophobicContact CB-CE1 4.32Å; V159-Y194 HydrophobicContact CG1-CD1 4.12Å; V159-Y194 HydrophobicContact CG2-CD1 3.95Å; V159-Y194 HydrophobicContact CG2-CE1 3.73Å; V159-N195 WeakPolarHBondContact CG1-OD1 3.23Å
160	R	63.6	Low	61.3	Low	154 Å²	154	44.8 Å²	44.8	58%	0.581	23%	0.23	S	C	*	.	H	α-helix	trans	-68.6	-44.6	175.7	-176.2	178.5	-180	138.2	13.6	113.6	H156 Y158 L162 A163 G164 E203	H156-R160 WeakPolarHBondContact O-CB 3.43Å; H156-R160 PolarHBondContact O-N 3.24Å; Y158-R160 VanDerWaalsContact C-N 3.28Å; Y158-R160 PolarHBondContact O-N 2.84Å; R160-L162 VanDerWaalsContact C-N 3.33Å; R160-A163 PolarHBondContact O-N 2.95Å; R160-G164 PolarHBondContact O-N 3.4Å; R160-G164 VanDerWaalsContact O-N 3.13Å; R160-E203 WeakPolarHBondContact CD-OE2 3.39Å; R160-E203 WeakPolarHBondContact CG-OE2 3.22Å; R160-E203 IonicContact CZ-OE1 2.69Å; R160-E203 IonicContact CZ-OE2 3.85Å; R160-E203 IonicContact NE-OE1 2.77Å; R160-E203 IonicContact NE-OE2 3.79Å; R160-E203 IonicContact NH1-OE1 2.75Å; R160-E203 PolarHBondContact NH1-OE1 3.2Å; R160-E203 IonicContact NH1-OE2 2.7Å; R160-E203 IonicContact NH2-OE1 3.92Å; R160-E203 PolarHBondContact NH2-OE1 3.38Å
161	H	65.9	Low	61.9	Low	72 Å²	72	43.6 Å²	43.6	33%	0.333	22%	0.224	S	C	.	.	H	α-helix	trans	-65.4	-41.1	177.5	-162.6	-77.2	0	0	0	111	E157 Y158 G164 E165	E157-H161 WeakPolarHBondContact O-CB 2.98Å; E157-H161 PolarHBondContact O-N 2.91Å; Y158-H161 PolarHBondContact O-N 2.81Å; H161-G164 PolarHBondContact O-N 3.19Å; H161-E165 IonicContact CE1-OE1 3.22Å; H161-E165 PolarHBondContact CE1-OE1 3.38Å; H161-E165 IonicContact ND1-OE1 2.76Å; H161-E165 PolarHBondContact ND1-OE1 2.92Å; H161-E165 PolarHBondContact O-N 2.75Å; H161-E165 VanDerWaalsContact O-N 3.08Å
162	L	65.4	Low	62.1	Low	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-66	-41.9	176.5	-167.9	104.6	0	0	0	111.9	L140 R143 Y158 R160 G164 E165 V166 L187 I191	L140-L162 HydrophobicContact CB-CD1 4.22Å; R143-L162 HydrophobicContact CB-CD1 4.34Å; R143-L162 VanDerWaalsContact CD-CD1 3.49Å; Y158-L162 HydrophobicContact CE2-CD1 4.18Å; Y158-L162 WeakPolarHBondContact O-CB 3.19Å; Y158-L162 PolarHBondContact O-N 2.99Å; R160-L162 VanDerWaalsContact C-N 3.33Å; L162-G164 VanDerWaalsContact C-N 3.3Å; L162-G164 PolarHBondContact O-N 3.44Å; L162-E165 PolarHBondContact O-N 3.43Å; L162-V166 HydrophobicContact CD2-CG2 4.34Å; L162-V166 HydrophobicContact CG-CG2 4.31Å; L162-V166 WeakPolarHBondContact O-CG2 3.49Å; L162-V166 PolarHBondContact O-N 3.23Å; L162-L187 HydrophobicContact CD2-CD1 4.08Å; L162-L187 HydrophobicContact CD2-CD2 4.01Å; L162-L187 HydrophobicContact CD2-CG 4.21Å; L162-I191 HydrophobicContact CD2-CD1 3.91Å
163	A	62.2	Low	62.5	Low	13 Å²	13	47.4 Å²	47.4	11%	0.107	23%	0.233	C	C	.	.	H	α-helix	trans	-55	-46.8	173.8	0	0	0	0	0	111.5	V159 R160 E165 V166 A167 L207	V159-A163 WeakPolarHBondContact O-CB 3.44Å; V159-A163 PolarHBondContact O-N 3.15Å; R160-A163 PolarHBondContact O-N 2.95Å; A163-E165 VanDerWaalsContact C-N 3.28Å; A163-E165 PolarHBondContact O-N 3.34Å; A163-V166 PolarHBondContact O-N 3.34Å; A163-A167 PolarHBondContact O-N 3.23Å; A163-L207 HydrophobicContact CB-CD1 3.37Å
164	G	66.3	Low	61.7	Low	33 Å²	33	52.6 Å²	52.6	34%	0.34	26%	0.258	S	S	.	.	H	α-helix	trans	-70.9	-13.5	175.9	0	0	0	0	0	115.6	R160 H161 L162 K168	R160-G164 PolarHBondContact O-N 3.4Å; R160-G164 VanDerWaalsContact O-N 3.13Å; H161-G164 PolarHBondContact O-N 3.19Å; L162-G164 VanDerWaalsContact C-N 3.3Å; L162-G164 PolarHBondContact O-N 3.44Å; G164-K168 VanDerWaalsContact O-CD 3.32Å; G164-K168 WeakPolarHBondContact O-CD 3.36Å; G164-K168 WeakPolarHBondContact O-CG 3.44Å
165	E	66.8	Low	61.2	Low	28 Å²	28	55.9 Å²	55.9	13%	0.131	28%	0.276	C	S	.	.	H	α-helix	trans	-88.4	-42.1	167.7	-83.7	-178.9	-113.9	0	0	111.9	C139 L140 H161 L162 A163 A167 K168 E169	C139-E165 WeakPolarHBondContact CB-OE1 3.42Å; C139-E165 WeakPolarHBondContact CB-OE2 3.23Å; L140-E165 PolarHBondContact N-OE2 3.21Å; H161-E165 IonicContact CE1-OE1 3.22Å; H161-E165 PolarHBondContact CE1-OE1 3.38Å; H161-E165 IonicContact ND1-OE1 2.76Å; H161-E165 PolarHBondContact ND1-OE1 2.92Å; H161-E165 PolarHBondContact O-N 2.75Å; H161-E165 VanDerWaalsContact O-N 3.08Å; L162-E165 PolarHBondContact O-N 3.43Å; A163-E165 VanDerWaalsContact C-N 3.28Å; A163-E165 PolarHBondContact O-N 3.34Å; E165-A167 PolarHBondContact O-N 3.39Å; E165-K168 PolarHBondContact O-N 3.33Å; E165-E169 WeakPolarHBondContact O-CB 3.13Å; E165-E169 PolarHBondContact O-N 2.65Å
166	V	65.2	Low	60.3	Low	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-60.4	-45.4	177.6	171	0	0	0	0	110.9	L140 L162 A163 K168 E169 W170 L184 L187 V188 I211	L140-V166 HydrophobicContact CD1-CG2 3.9Å; L140-V166 HydrophobicContact CD2-CG2 3.85Å; L140-V166 HydrophobicContact CG-CG2 4.43Å; L162-V166 HydrophobicContact CD2-CG2 4.34Å; L162-V166 HydrophobicContact CG-CG2 4.31Å; L162-V166 WeakPolarHBondContact O-CG2 3.49Å; L162-V166 PolarHBondContact O-N 3.23Å; A163-V166 PolarHBondContact O-N 3.34Å; V166-K168 VanDerWaalsContact C-N 3.35Å; V166-K168 PolarHBondContact O-N 3.02Å; V166-E169 PolarHBondContact O-N 2.9Å; V166-W170 WeakPolarHBondContact O-CB 3.45Å; V166-W170 PolarHBondContact O-N 3.27Å; V166-L184 HydrophobicContact CG1-CD2 4.27Å; V166-L184 HydrophobicContact CG2-CD2 4.44Å; V166-L187 HydrophobicContact CG2-CD2 4.13Å; V166-V188 HydrophobicContact CG1-CG2 3.91Å; V166-I211 HydrophobicContact CG1-CD1 3.68Å
167	A	61.1	Low	59.7	Low	11 Å²	11	60.2 Å²	60.2	9%	0.091	31%	0.308	C	S	.	.	H	α-helix	trans	-56.6	-45.9	175.3	0	0	0	0	0	112.3	A163 E165 W170 Q171 E210	A163-A167 PolarHBondContact O-N 3.23Å; E165-A167 PolarHBondContact O-N 3.39Å; A167-W170 PolarHBondContact O-N 2.94Å; A167-Q171 WeakPolarHBondContact O-CG 3.44Å; A167-Q171 PolarHBondContact O-N 3.43Å; A167-E210 HydrophobicContact CB-CB 3.73Å; A167-E210 HydrophobicContact CB-CG 4.23Å
168	K	66.7	Low	59.3	Low	143 Å²	143	62 Å²	62	62%	0.622	32%	0.315	S	S	*	.	H	α-helix	trans	-70.1	-38.1	179.1	-68.1	176.1	-174.2	176.2	0	113.1	G164 E165 V166 W170 Q171 E172	G164-K168 VanDerWaalsContact O-CD 3.32Å; G164-K168 WeakPolarHBondContact O-CD 3.36Å; G164-K168 WeakPolarHBondContact O-CG 3.44Å; E165-K168 PolarHBondContact O-N 3.33Å; V166-K168 VanDerWaalsContact C-N 3.35Å; V166-K168 PolarHBondContact O-N 3.02Å; K168-W170 VanDerWaalsContact C-N 3.29Å; K168-Q171 PolarHBondContact O-N 3.37Å; K168-E172 PolarHBondContact O-N 3.49Å; K168-E172 VanDerWaalsContact O-N 3.07Å
169	E	63.3	Low	58.6	Low	12 Å²	12	66 Å²	66	6%	0.056	35%	0.348	C	S	.	.	H	α-helix	trans	-69.6	-30.6	176.7	-164.5	152.8	104	0	0	110.9	L140 E165 V166 L173	L140-E169 HydrophobicContact CD2-CB 3.96Å; L140-E169 HydrophobicContact CD2-CG 4.3Å; L140-E169 VanDerWaalsContact CD2-OE1 3.31Å; L140-E169 WeakPolarHBondContact CD2-OE1 3.42Å; E165-E169 WeakPolarHBondContact O-CB 3.13Å; E165-E169 PolarHBondContact O-N 2.65Å; V166-E169 PolarHBondContact O-N 2.9Å; E169-L173 HydrophobicContact CG-CD1 4.06Å; E169-L173 WeakPolarHBondContact O-CB 3.43Å; E169-L173 VanDerWaalsContact O-CD1 3.31Å; E169-L173 WeakPolarHBondContact O-CD1 3.36Å; E169-L173 PolarHBondContact O-N 2.83Å
170	W	60.9	Low	58	Low	27 Å²	27	68.9 Å²	68.9	10%	0.102	36%	0.361	C	S	.	.	H	α-helix	trans	-67.4	-49.6	170.5	-163.8	-93.9	0	0	0	112.3	V166 A167 K168 E172 L173 R181 L184 L185 I211 Q213	V166-W170 WeakPolarHBondContact O-CB 3.45Å; V166-W170 PolarHBondContact O-N 3.27Å; A167-W170 PolarHBondContact O-N 2.94Å; K168-W170 VanDerWaalsContact C-N 3.29Å; W170-E172 VanDerWaalsContact C-N 3.29Å; W170-E172 PolarHBondContact O-N 3.18Å; W170-L173 PolarHBondContact O-N 2.95Å; W170-R181 HydrophobicContact CE3-CG 4.12Å; W170-R181 HydrophobicContact CH2-CB 3.81Å; W170-R181 HydrophobicContact CH2-CG 3.82Å; W170-R181 HydrophobicContact CZ2-CG 4.43Å; W170-R181 HydrophobicContact CZ3-CB 3.67Å; W170-R181 HydrophobicContact CZ3-CG 3.63Å; W170-L184 HydrophobicContact CE3-CB 4.14Å; W170-L184 HydrophobicContact CE3-CD1 4.1Å; W170-L184 HydrophobicContact CZ3-CB 4.02Å; W170-L185 HydrophobicContact CH2-CD1 4.47Å; W170-I211 HydrophobicContact CB-CG1 4.36Å; W170-I211 HydrophobicContact CD2-CG1 4.47Å; W170-I211 HydrophobicContact CD2-CG2 3.99Å; W170-I211 HydrophobicContact CE3-CG2 4.27Å; W170-I211 HydrophobicContact CG-CG1 4.2Å; W170-I211 HydrophobicContact CG-CG2 4.49Å; W170-I211 HydrophobicContact CH2-CG2 4.21Å; W170-I211 HydrophobicContact CZ2-CG2 3.95Å; W170-I211 WeakPolarHBondContact CZ2-O 3.47Å; W170-I211 HydrophobicContact CZ3-CG2 4.37Å; W170-I211 PolarHBondContact NE1-O 2.87Å; W170-I211 VanDerWaalsContact NE1-O 3.15Å; W170-Q213 HydrophobicContact CZ2-CG 4.5Å
171	Q	60.9	Low	57.6	Low	125 Å²	125	64.2 Å²	64.2	58%	0.584	34%	0.344	S	S	*	.	H	α-helix	trans	-58.9	-33.1	176.7	-74.9	-179.5	-6.1	0	0	113.8	A167 K168 E210	A167-Q171 WeakPolarHBondContact O-CG 3.44Å; A167-Q171 PolarHBondContact O-N 3.43Å; K168-Q171 PolarHBondContact O-N 3.37Å; Q171-E210 PolarHBondContact NE2-OE2 2.93Å
172	E	61.7	Low	57.3	Low	127 Å²	127	67.7 Å²	67.7	59%	0.593	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	1.7	-178.2	-143.4	-173.7	113.7	0	0	114	R137 K168 W170	R137-E172 IonicContact CZ-OE1 2.67Å; R137-E172 IonicContact CZ-OE2 2.81Å; R137-E172 IonicContact NH1-OE1 3.83Å; R137-E172 PolarHBondContact NH1-OE1 3.44Å; R137-E172 IonicContact NH1-OE2 3.7Å; R137-E172 VanDerWaalsContact NH2-CD 3.26Å; R137-E172 IonicContact NH2-OE1 2.72Å; R137-E172 PolarHBondContact NH2-OE1 3.08Å; R137-E172 IonicContact NH2-OE2 2.65Å; K168-E172 PolarHBondContact O-N 3.49Å; K168-E172 VanDerWaalsContact O-N 3.07Å; W170-E172 VanDerWaalsContact C-N 3.29Å; W170-E172 PolarHBondContact O-N 3.18Å
173	L	57.8	Low	57.1	Low	18 Å²	18	70.3 Å²	70.3	9%	0.094	38%	0.377	C	S	.	.			trans	-95.2	95.2	174.9	-108.9	71.1	0	0	0	111.9	E169 W170 E177 Q180 R181	E169-L173 HydrophobicContact CG-CD1 4.06Å; E169-L173 WeakPolarHBondContact O-CB 3.43Å; E169-L173 VanDerWaalsContact O-CD1 3.31Å; E169-L173 WeakPolarHBondContact O-CD1 3.36Å; E169-L173 PolarHBondContact O-N 2.83Å; W170-L173 PolarHBondContact O-N 2.95Å; L173-E177 HydrophobicContact CD2-CB 4.06Å; L173-E177 HydrophobicContact CG-CB 4.45Å; L173-Q180 HydrophobicContact CD2-CB 3.77Å; L173-R181 PolarHBondContact O-NH2 3.45Å
174	D	41.6	Very low	57.1	Low	142 Å²	142	69.7 Å²	69.7	76%	0.759	37%	0.372	S	S	*	.			trans	-58.5	157.6	168.6	-167.1	9.2	0	0	0	111.8	A176 E177	D174-A176 PolarHBondContact O-N 3.26Å; D174-E177 PolarHBondContact O-N 2.85Å
175	D	46.4	Very low	57	Low	83 Å²	83	70.6 Å²	70.6	44%	0.444	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	5.9	-155.2	-147.7	39.7	0	0	0	115.7	K178 R181	D175-K178 VanDerWaalsContact O-CE 3.26Å; D175-K178 WeakPolarHBondContact O-CE 3.19Å; D175-K178 VanDerWaalsContact OD1-CE 3.28Å; D175-K178 WeakPolarHBondContact OD1-CE 3.32Å; D175-K178 IonicContact OD1-NZ 2.84Å; D175-K178 WeakPolarHBondContact OD2-CE 3.49Å; D175-K178 IonicContact OD2-NZ 3.11Å; D175-K178 PolarHBondContact OD2-NZ 3.07Å; D175-R181 IonicContact OD1-CZ 3.33Å; D175-R181 IonicContact OD1-NH1 2.65Å; D175-R181 PolarHBondContact OD1-NH1 3.07Å; D175-R181 IonicContact OD1-NH2 2.99Å; D175-R181 PolarHBondContact OD1-NH2 3.4Å
176	A	41.4	Very low	56.9	Low	95 Å²	95	72.7 Å²	72.7	79%	0.785	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-28	178.5	0	0	0	0	0	114.4	D174 K178	D174-A176 PolarHBondContact O-N 3.26Å; A176-K178 PolarHBondContact O-N 3.39Å
177	E	47.4	Very low	56.9	Low	97 Å²	97	73.7 Å²	73.7	45%	0.453	39%	0.389	S	S	.	.			trans	-100.8	46.7	-171.4	-66.2	-142.6	86.4	0	0	114.5	L173 D174 A179 Q180	L173-E177 HydrophobicContact CD2-CB 4.06Å; L173-E177 HydrophobicContact CG-CB 4.45Å; D174-E177 PolarHBondContact O-N 2.85Å; E177-A179 PolarHBondContact O-N 2.95Å; E177-Q180 HydrophobicContact CB-CG 4.38Å; E177-Q180 PolarHBondContact O-N 2.94Å; E177-Q180 PolarHBondContact OE1-NE2 2.98Å; E177-Q180 PolarHBondContact OE2-NE2 3.06Å
178	K	51.7	Low	57	Low	121 Å²	121	73.1 Å²	73.1	53%	0.526	38%	0.384	S	S	.	.	H	α-helix	trans	-56.2	-23.8	178.2	-64	-172	179.8	-178.2	0	114.1	D175 A176 Q180 R181	D175-K178 VanDerWaalsContact O-CE 3.26Å; D175-K178 WeakPolarHBondContact O-CE 3.19Å; D175-K178 VanDerWaalsContact OD1-CE 3.28Å; D175-K178 WeakPolarHBondContact OD1-CE 3.32Å; D175-K178 IonicContact OD1-NZ 2.84Å; D175-K178 WeakPolarHBondContact OD2-CE 3.49Å; D175-K178 IonicContact OD2-NZ 3.11Å; D175-K178 PolarHBondContact OD2-NZ 3.07Å; A176-K178 PolarHBondContact O-N 3.39Å; K178-Q180 VanDerWaalsContact C-N 3.31Å; K178-Q180 PolarHBondContact O-N 3.07Å; K178-R181 PolarHBondContact O-N 3.13Å
179	A	49.7	Very low	56.9	Low	84 Å²	84	71.8 Å²	71.8	69%	0.694	38%	0.378	S	S	*	.	H	α-helix	trans	-69.9	-19.7	173.8	0	0	0	0	0	114.6	E177 P183	E177-A179 PolarHBondContact O-N 2.95Å; A179-P183 VanDerWaalsContact O-CD 3.24Å; A179-P183 WeakPolarHBondContact O-CD 3.44Å
180	Q	51.6	Low	57	Low	61 Å²	61	75.3 Å²	75.3	29%	0.285	40%	0.395	S	S	.	.	H	α-helix	trans	-89.9	-27.6	172.2	-60.4	-164	37	0	0	111.8	L173 E177 K178 E182 P183 L184	L173-Q180 HydrophobicContact CD2-CB 3.77Å; E177-Q180 HydrophobicContact CB-CG 4.38Å; E177-Q180 PolarHBondContact O-N 2.94Å; E177-Q180 PolarHBondContact OE1-NE2 2.98Å; E177-Q180 PolarHBondContact OE2-NE2 3.06Å; K178-Q180 VanDerWaalsContact C-N 3.31Å; K178-Q180 PolarHBondContact O-N 3.07Å; Q180-E182 PolarHBondContact O-N 3.29Å; Q180-P183 WeakPolarHBondContact O-CD 3.13Å; Q180-L184 WeakPolarHBondContact O-CD1 3.39Å; Q180-L184 VanDerWaalsContact O-CG 3.31Å; Q180-L184 WeakPolarHBondContact O-CG 3.32Å; Q180-L184 PolarHBondContact O-N 2.9Å
181	R	56.7	Low	57.2	Low	57 Å²	57	74 Å²	74	22%	0.215	39%	0.39	C	S	.	.	H	α-helix	trans	-63	-34.5	175.6	-70.4	-167.1	-177.9	149.6	7.7	113.2	W170 L173 D175 K178 L184 L185	W170-R181 HydrophobicContact CE3-CG 4.12Å; W170-R181 HydrophobicContact CH2-CB 3.81Å; W170-R181 HydrophobicContact CH2-CG 3.82Å; W170-R181 HydrophobicContact CZ2-CG 4.43Å; W170-R181 HydrophobicContact CZ3-CB 3.67Å; W170-R181 HydrophobicContact CZ3-CG 3.63Å; L173-R181 PolarHBondContact O-NH2 3.45Å; D175-R181 IonicContact OD1-CZ 3.33Å; D175-R181 IonicContact OD1-NH1 2.65Å; D175-R181 PolarHBondContact OD1-NH1 3.07Å; D175-R181 IonicContact OD1-NH2 2.99Å; D175-R181 PolarHBondContact OD1-NH2 3.4Å; K178-R181 PolarHBondContact O-N 3.13Å; R181-L184 PolarHBondContact O-N 2.99Å; R181-L185 VanDerWaalsContact O-CB 3.3Å; R181-L185 WeakPolarHBondContact O-CB 3.41Å; R181-L185 PolarHBondContact O-N 3.32Å
182	E	58.3	Low	57.2	Low	144 Å²	144	68.1 Å²	68.1	67%	0.673	36%	0.362	S	S	*	.	H	α-helix	trans	-64.1	-49	178.4	-78.5	-178	-179.8	0	0	114.2	Q180 L185 T186	Q180-E182 PolarHBondContact O-N 3.29Å; E182-L185 PolarHBondContact O-N 3.4Å; E182-T186 PolarHBondContact O-N 2.77Å; E182-T186 PolarHBondContact O-OG1 3.48Å
183	P	61.2	Low	57.4	Low	56 Å²	56	64.3 Å²	64.3	36%	0.364	35%	0.348	S	S	.	.	H	α-helix	trans	-58.3	-42.3	169.7	-29.1	35.6	0	0	0	113.9	L144 A179 Q180 T186 L187	L144-P183 HydrophobicContact CD2-CB 3.56Å; L144-P183 HydrophobicContact CD2-CG 4.39Å; A179-P183 VanDerWaalsContact O-CD 3.24Å; A179-P183 WeakPolarHBondContact O-CD 3.44Å; Q180-P183 WeakPolarHBondContact O-CD 3.13Å; P183-T186 PolarHBondContact O-N 2.97Å; P183-L187 WeakPolarHBondContact O-CB 3.19Å; P183-L187 PolarHBondContact O-N 2.91Å
184	L	62.2	Low	57.7	Low	0 Å²	0	64.7 Å²	64.7	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-60.6	-48.2	176.8	-70.9	166.1	0	0	0	111.1	L140 V166 W170 Q180 R181 T186 L187 V188	L140-L184 HydrophobicContact CD1-CD2 3.73Å; L140-L184 HydrophobicContact CD2-CD2 3.97Å; L140-L184 HydrophobicContact CG-CD2 4.32Å; V166-L184 HydrophobicContact CG1-CD2 4.27Å; V166-L184 HydrophobicContact CG2-CD2 4.44Å; W170-L184 HydrophobicContact CE3-CB 4.14Å; W170-L184 HydrophobicContact CE3-CD1 4.1Å; W170-L184 HydrophobicContact CZ3-CB 4.02Å; Q180-L184 WeakPolarHBondContact O-CD1 3.39Å; Q180-L184 VanDerWaalsContact O-CG 3.31Å; Q180-L184 WeakPolarHBondContact O-CG 3.32Å; Q180-L184 PolarHBondContact O-N 2.9Å; R181-L184 PolarHBondContact O-N 2.99Å; L184-T186 VanDerWaalsContact C-N 3.26Å; L184-T186 PolarHBondContact O-N 2.88Å; L184-L187 WeakPolarHBondContact O-CB 3.43Å; L184-L187 PolarHBondContact O-N 3.02Å; L184-L187 VanDerWaalsContact O-N 3.15Å; L184-V188 VanDerWaalsContact O-CG2 3.24Å; L184-V188 WeakPolarHBondContact O-CG2 3.42Å; L184-V188 PolarHBondContact O-N 3.03Å
185	L	63.8	Low	58.6	Low	52 Å²	52	58.2 Å²	58.2	27%	0.272	31%	0.314	S	S	.	.	H	α-helix	trans	-59.8	-35.6	176.4	-163.6	85.6	0	0	0	112.4	W170 R181 E182 K189 Q213 M216	W170-L185 HydrophobicContact CH2-CD1 4.47Å; R181-L185 VanDerWaalsContact O-CB 3.3Å; R181-L185 WeakPolarHBondContact O-CB 3.41Å; R181-L185 PolarHBondContact O-N 3.32Å; E182-L185 PolarHBondContact O-N 3.4Å; L185-K189 VanDerWaalsContact O-CB 3.32Å; L185-K189 WeakPolarHBondContact O-CB 3.3Å; L185-K189 PolarHBondContact O-N 3.18Å; L185-K189 VanDerWaalsContact O-N 3.11Å; L185-Q213 HydrophobicContact CD1-CB 4.36Å; L185-Q213 HydrophobicContact CD1-CG 3.75Å; L185-M216 HydrophobicContact CD1-CE 3.82Å; L185-M216 HydrophobicContact CG-CE 3.94Å
186	T	66.2	Low	59.2	Low	71 Å²	71	54.9 Å²	54.9	44%	0.436	30%	0.296	S	S	.	.	H	α-helix	trans	-69.1	-40.9	176.7	-55.1	0	0	0	0	111.4	E182 P183 L184 K189 E190	E182-T186 PolarHBondContact O-N 2.77Å; E182-T186 PolarHBondContact O-OG1 3.48Å; P183-T186 PolarHBondContact O-N 2.97Å; L184-T186 VanDerWaalsContact C-N 3.26Å; L184-T186 PolarHBondContact O-N 2.88Å; T186-K189 WeakPolarHBondContact O-CB 3.31Å; T186-K189 PolarHBondContact O-N 2.81Å; T186-E190 PolarHBondContact O-N 2.88Å
187	L	64.6	Low	60.2	Low	21 Å²	21	53.9 Å²	53.9	11%	0.11	29%	0.288	C	S	.	.	H	α-helix	trans	-67.6	-41.9	175.8	176	60.4	0	0	0	112.1	L140 L151 L162 V166 P183 L184 K189 E190 I191	L140-L187 HydrophobicContact CD1-CD2 3.46Å; L140-L187 VanDerWaalsContact CD1-CD2 3.46Å; L151-L187 HydrophobicContact CD1-CD1 4.38Å; L162-L187 HydrophobicContact CD2-CD1 4.08Å; L162-L187 HydrophobicContact CD2-CD2 4.01Å; L162-L187 HydrophobicContact CD2-CG 4.21Å; V166-L187 HydrophobicContact CG2-CD2 4.13Å; P183-L187 WeakPolarHBondContact O-CB 3.19Å; P183-L187 PolarHBondContact O-N 2.91Å; L184-L187 WeakPolarHBondContact O-CB 3.43Å; L184-L187 PolarHBondContact O-N 3.02Å; L184-L187 VanDerWaalsContact O-N 3.15Å; L187-K189 VanDerWaalsContact C-N 3.27Å; L187-K189 PolarHBondContact O-N 2.75Å; L187-E190 PolarHBondContact O-N 3.4Å; L187-E190 VanDerWaalsContact O-N 3.09Å; L187-I191 HydrophobicContact CG-CD1 4.13Å; L187-I191 WeakPolarHBondContact O-CG1 3.42Å; L187-I191 PolarHBondContact O-N 2.92Å
188	V	63.9	Low	60.9	Low	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-54.2	-44.7	171.6	165.1	0	0	0	0	111.3	V166 L184 E190 I191 V192 L207 I211 M216	V166-V188 HydrophobicContact CG1-CG2 3.91Å; L184-V188 VanDerWaalsContact O-CG2 3.24Å; L184-V188 WeakPolarHBondContact O-CG2 3.42Å; L184-V188 PolarHBondContact O-N 3.03Å; V188-E190 PolarHBondContact O-N 3.32Å; V188-I191 WeakPolarHBondContact O-CB 3.49Å; V188-I191 PolarHBondContact O-N 2.97Å; V188-V192 HydrophobicContact CG1-CG2 4.13Å; V188-V192 WeakPolarHBondContact O-CG2 3.41Å; V188-V192 PolarHBondContact O-N 3.25Å; V188-L207 HydrophobicContact CG1-CD2 3.9Å; V188-L207 HydrophobicContact CG2-CD2 4.3Å; V188-I211 HydrophobicContact CG2-CD1 3.4Å; V188-I211 VanDerWaalsContact CG2-CD1 3.4Å; V188-M216 HydrophobicContact CG1-CE 4.26Å; V188-M216 HydrophobicContact CG1-SD 4.46Å
189	K	64.6	Low	61.2	Low	115 Å²	115	53.6 Å²	53.6	50%	0.5	29%	0.292	S	S	.	.	H	α-helix	trans	-66.8	-14.3	179.1	-169.5	174	180	178.6	0	114.6	L185 T186 L187 P193 M216	L185-K189 VanDerWaalsContact O-CB 3.32Å; L185-K189 WeakPolarHBondContact O-CB 3.3Å; L185-K189 PolarHBondContact O-N 3.18Å; L185-K189 VanDerWaalsContact O-N 3.11Å; T186-K189 WeakPolarHBondContact O-CB 3.31Å; T186-K189 PolarHBondContact O-N 2.81Å; L187-K189 VanDerWaalsContact C-N 3.27Å; L187-K189 PolarHBondContact O-N 2.75Å; K189-P193 WeakPolarHBondContact O-CD 3.49Å; K189-P193 WeakPolarHBondContact O-CG 3.17Å; K189-M216 HydrophobicContact CB-SD 3.76Å; K189-M216 HydrophobicContact CD-SD 4.38Å; K189-M216 HydrophobicContact CG-SD 3.87Å
190	E	65.1	Low	61.7	Low	86 Å²	86	50.5 Å²	50.5	40%	0.402	27%	0.267	S	S	.	.	H	α-helix	trans	-94.8	-28.6	167.7	-64	-178.3	-178.1	0	0	112.5	L151 T186 L187 V188	L151-E190 HydrophobicContact CD1-CB 3.91Å; L151-E190 WeakPolarHBondContact CD1-OE2 3.44Å; T186-E190 PolarHBondContact O-N 2.88Å; L187-E190 PolarHBondContact O-N 3.4Å; L187-E190 VanDerWaalsContact O-N 3.09Å; V188-E190 PolarHBondContact O-N 3.32Å
191	I	63.8	Low	62.1	Low	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-68.4	-47.3	175.7	-66.6	162.3	0	0	0	111.4	L151 V159 L162 L187 V188 Y194 N195 L207	L151-I191 HydrophobicContact CD2-CB 4.17Å; L151-I191 HydrophobicContact CD2-CG1 3.42Å; L151-I191 VanDerWaalsContact CD2-CG1 3.42Å; V159-I191 HydrophobicContact CG1-CG1 4.41Å; V159-I191 HydrophobicContact CG1-CG2 3.92Å; L162-I191 HydrophobicContact CD2-CD1 3.91Å; L187-I191 HydrophobicContact CG-CD1 4.13Å; L187-I191 WeakPolarHBondContact O-CG1 3.42Å; L187-I191 PolarHBondContact O-N 2.92Å; V188-I191 WeakPolarHBondContact O-CB 3.49Å; V188-I191 PolarHBondContact O-N 2.97Å; I191-Y194 WeakPolarHBondContact O-CB 3.31Å; I191-Y194 PolarHBondContact O-N 3.26Å; I191-N195 PolarHBondContact O-N 2.86Å; I191-L207 HydrophobicContact CD1-CD1 4.22Å; I191-L207 HydrophobicContact CG2-CD1 4.14Å; I191-L207 HydrophobicContact CG2-CD2 4.4Å
192	V	62.2	Low	62.5	Low	1 Å²	1	49.6 Å²	49.6	1%	0.006	27%	0.265	C	S	.	.	H	α-helix	trans	-62.9	-51.7	-169.9	171	0	0	0	0	112.3	V188 Y194 N195 M196 L207 L208	V188-V192 HydrophobicContact CG1-CG2 4.13Å; V188-V192 WeakPolarHBondContact O-CG2 3.41Å; V188-V192 PolarHBondContact O-N 3.25Å; V192-Y194 PolarHBondContact O-N 3.2Å; V192-N195 PolarHBondContact O-N 3.32Å; V192-M196 HydrophobicContact CG1-CG 4.49Å; V192-M196 WeakPolarHBondContact O-CB 3.37Å; V192-M196 VanDerWaalsContact O-CG 3.23Å; V192-M196 WeakPolarHBondContact O-CG 3.4Å; V192-M196 PolarHBondContact O-N 2.9Å; V192-L207 HydrophobicContact CG2-CD2 3.93Å; V192-L208 HydrophobicContact CB-CD1 4.25Å; V192-L208 HydrophobicContact CG1-CD1 3.7Å; V192-L208 HydrophobicContact CG2-CD1 3.48Å; V192-L208 VanDerWaalsContact CG2-CD1 3.48Å; V192-L208 HydrophobicContact CG2-CG 4.23Å
193	P	65.1	Low	62.7	Low	46 Å²	46	44.7 Å²	44.7	30%	0.299	24%	0.242	S	C	.	.	H	α-helix	trans	-61.5	-32.4	176	-22.8	34.5	0	0	0	113.1	K189 A197 D220	K189-P193 WeakPolarHBondContact O-CD 3.49Å; K189-P193 WeakPolarHBondContact O-CG 3.17Å; P193-A197 VanDerWaalsContact O-CB 3.28Å; P193-A197 WeakPolarHBondContact O-CB 3.46Å; P193-A197 PolarHBondContact O-N 3.48Å; P193-D220 HydrophobicContact CG-CB 4.15Å
194	Y	63.6	Low	62.8	Low	27 Å²	27	42 Å²	42	11%	0.106	23%	0.225	C	C	.	.	H	α-helix	trans	-68.9	-47	178.2	-178.8	-100	0	0	0	112.2	A152 H156 V159 I191 V192 M196 A197 H198	A152-Y194 VanDerWaalsContact CA-CE2 3.44Å; A152-Y194 HydrophobicContact CB-CD2 4.03Å; A152-Y194 HydrophobicContact CB-CE2 3.51Å; H156-Y194 AromaticContact CE1-CE1 3.83Å; H156-Y194 AromaticContact CE1-CZ 3.69Å; H156-Y194 PolarHBondContact CE1-OH 2.67Å; H156-Y194 AromaticContact ND1-CE1 3.66Å; H156-Y194 AromaticContact ND1-CZ 3.95Å; V159-Y194 HydrophobicContact CB-CD1 4.41Å; V159-Y194 HydrophobicContact CB-CE1 4.32Å; V159-Y194 HydrophobicContact CG1-CD1 4.12Å; V159-Y194 HydrophobicContact CG2-CD1 3.95Å; V159-Y194 HydrophobicContact CG2-CE1 3.73Å; I191-Y194 WeakPolarHBondContact O-CB 3.31Å; I191-Y194 PolarHBondContact O-N 3.26Å; V192-Y194 PolarHBondContact O-N 3.2Å; Y194-M196 VanDerWaalsContact C-N 3.31Å; Y194-M196 PolarHBondContact O-N 3.35Å; Y194-A197 PolarHBondContact O-N 3.09Å; Y194-H198 AromaticContact CD2-CD2 3.6Å; Y194-H198 AromaticContact CD2-NE2 3.89Å; Y194-H198 AromaticContact CE2-CD2 3.25Å; Y194-H198 WeakPolarHBondContact CE2-CD2 3.14Å; Y194-H198 AromaticContact CE2-NE2 3.22Å; Y194-H198 WeakPolarHBondContact CE2-NE2 3.26Å; Y194-H198 AromaticContact CZ-CD2 3.59Å; Y194-H198 AromaticContact CZ-NE2 3.74Å; Y194-H198 WeakPolarHBondContact O-CB 3.26Å; Y194-H198 PolarHBondContact O-CD2 3.23Å; Y194-H198 VanDerWaalsContact O-CD2 3.31Å; Y194-H198 PolarHBondContact O-N 3.13Å; Y194-H198 VanDerWaalsContact O-N 3.15Å
195	N	60.9	Low	62.9	Low	6 Å²	6	42.4 Å²	42.4	3%	0.032	23%	0.227	C	C	.	.	H	α-helix	trans	-64.8	-37.3	177.5	-73	-2.8	0	0	0	111.7	V159 I191 V192 H198 N199 A200 A204	V159-N195 WeakPolarHBondContact CG1-OD1 3.23Å; I191-N195 PolarHBondContact O-N 2.86Å; V192-N195 PolarHBondContact O-N 3.32Å; N195-H198 PolarHBondContact O-N 3.09Å; N195-N199 PolarHBondContact O-N 3.41Å; N195-A200 HydrophobicContact CB-CB 4.42Å; N195-A200 PolarHBondContact O-N 2.91Å; N195-A204 HydrophobicContact CB-CB 3.85Å
196	M	59.7	Low	63.1	Low	12 Å²	12	43.1 Å²	43.1	6%	0.059	23%	0.231	C	C	.	.	H	α-helix	trans	-63.2	-52.7	174.2	-71.2	-67.3	-70.3	0	0	112.2	V192 Y194 H198 N199 E201 A204 I221 A225 V229	V192-M196 HydrophobicContact CG1-CG 4.49Å; V192-M196 WeakPolarHBondContact O-CB 3.37Å; V192-M196 VanDerWaalsContact O-CG 3.23Å; V192-M196 WeakPolarHBondContact O-CG 3.4Å; V192-M196 PolarHBondContact O-N 2.9Å; Y194-M196 VanDerWaalsContact C-N 3.31Å; Y194-M196 PolarHBondContact O-N 3.35Å; M196-H198 PolarHBondContact O-N 2.83Å; M196-H198 VanDerWaalsContact O-N 3.11Å; M196-N199 PolarHBondContact O-N 2.83Å; M196-N199 VanDerWaalsContact O-N 3.17Å; M196-E201 HydrophobicContact CE-CG 4.46Å; M196-E201 HydrophobicContact SD-CB 4.01Å; M196-E201 HydrophobicContact SD-CG 3.85Å; M196-A204 HydrophobicContact CG-CB 4.23Å; M196-A204 HydrophobicContact SD-CB 4.2Å; M196-I221 HydrophobicContact CE-CB 4.07Å; M196-I221 HydrophobicContact CE-CG1 3.73Å; M196-I221 HydrophobicContact CE-CG2 4.11Å; M196-A225 HydrophobicContact CE-CB 3.58Å; M196-V229 HydrophobicContact CE-CG2 4.04Å; M196-V229 HydrophobicContact SD-CG2 4.17Å
197	A	62.4	Low	63	Low	74 Å²	74	40.1 Å²	40.1	61%	0.612	21%	0.212	S	C	*	.	H	α-helix	trans	-61.6	-21.5	179.1	0	0	0	0	0	113.7	P193 Y194	P193-A197 VanDerWaalsContact O-CB 3.28Å; P193-A197 WeakPolarHBondContact O-CB 3.46Å; P193-A197 PolarHBondContact O-N 3.48Å; Y194-A197 PolarHBondContact O-N 3.09Å
198	H	61.8	Low	63	Low	92 Å²	92	39.2 Å²	39.2	43%	0.426	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	19.1	-179.9	-76.9	-79.6	0	0	0	114.8	H156 Y194 N195 M196 A200	H156-H198 AromaticContact CE1-CD2 3.92Å; H156-H198 AromaticContact CE1-CG 3.43Å; H156-H198 VanDerWaalsContact CE1-CG 3.43Å; H156-H198 AromaticContact CE1-ND1 3.55Å; H156-H198 AromaticContact NE2-ND1 3.8Å; Y194-H198 AromaticContact CD2-CD2 3.6Å; Y194-H198 AromaticContact CD2-NE2 3.89Å; Y194-H198 AromaticContact CE2-CD2 3.25Å; Y194-H198 WeakPolarHBondContact CE2-CD2 3.14Å; Y194-H198 AromaticContact CE2-NE2 3.22Å; Y194-H198 WeakPolarHBondContact CE2-NE2 3.26Å; Y194-H198 AromaticContact CZ-CD2 3.59Å; Y194-H198 AromaticContact CZ-NE2 3.74Å; Y194-H198 WeakPolarHBondContact O-CB 3.26Å; Y194-H198 PolarHBondContact O-CD2 3.23Å; Y194-H198 VanDerWaalsContact O-CD2 3.31Å; Y194-H198 PolarHBondContact O-N 3.13Å; Y194-H198 VanDerWaalsContact O-N 3.15Å; N195-H198 PolarHBondContact O-N 3.09Å; M196-H198 PolarHBondContact O-N 2.83Å; M196-H198 VanDerWaalsContact O-N 3.11Å; H198-A200 VanDerWaalsContact C-N 3.25Å; H198-A200 PolarHBondContact O-N 3.37Å
199	N	58	Low	62.8	Low	120 Å²	120	40.9 Å²	40.9	64%	0.642	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.4	28.5	169.9	-136.3	16.5	0	0	0	112.7	N195 M196 E201 K228	N195-N199 PolarHBondContact O-N 3.41Å; M196-N199 PolarHBondContact O-N 2.83Å; M196-N199 VanDerWaalsContact O-N 3.17Å; N199-E201 VanDerWaalsContact C-OE2 3.26Å; N199-K228 PolarHBondContact OD1-NZ 3.33Å
200	A	60.3	Low	62.8	Low	20 Å²	20	39.6 Å²	39.6	17%	0.165	21%	0.212	C	C	.	.			trans	-111.8	44.4	178.1	0	0	0	0	0	110.5	N195 H198 H202 E203 A204	N195-A200 HydrophobicContact CB-CB 4.42Å; N195-A200 PolarHBondContact O-N 2.91Å; H198-A200 VanDerWaalsContact C-N 3.25Å; H198-A200 PolarHBondContact O-N 3.37Å; A200-H202 VanDerWaalsContact C-N 3.27Å; A200-H202 PolarHBondContact O-N 2.69Å; A200-E203 PolarHBondContact O-N 3.35Å; A200-E203 VanDerWaalsContact O-N 3.15Å; A200-A204 PolarHBondContact O-N 3.12Å
201	E	60.8	Low	62.5	Low	11 Å²	11	35.6 Å²	35.6	5%	0.051	19%	0.193	C	C	.	.	H	α-helix	trans	-65.4	-29.1	-166.5	-55	108.3	124.8	0	0	113.4	M196 N199 A204 C205 A225 K228 V229	M196-E201 HydrophobicContact CE-CG 4.46Å; M196-E201 HydrophobicContact SD-CB 4.01Å; M196-E201 HydrophobicContact SD-CG 3.85Å; N199-E201 VanDerWaalsContact C-OE2 3.26Å; E201-A204 WeakPolarHBondContact O-CB 3.35Å; E201-A204 PolarHBondContact O-N 2.68Å; E201-C205 PolarHBondContact O-N 3.22Å; E201-C205 PolarHBondContact O-SG 3.27Å; E201-A225 HydrophobicContact CG-CB 4.18Å; E201-K228 WeakPolarHBondContact OE1-CD 3.45Å; E201-K228 WeakPolarHBondContact OE1-CE 3.32Å; E201-K228 IonicContact OE1-NZ 3.74Å; E201-K228 PolarHBondContact OE1-NZ 3.24Å; E201-K228 IonicContact OE2-NZ 3.42Å; E201-K228 PolarHBondContact OE2-NZ 3.4Å; E201-V229 HydrophobicContact CB-CG2 3.86Å; E201-V229 HydrophobicContact CG-CG2 4.32Å
202	H	64.6	Low	62.3	Low	88 Å²	88	42.3 Å²	42.3	41%	0.407	22%	0.224	S	C	.	.	H	α-helix	trans	-66.3	-45.5	174.7	59.5	81.8	0	0	0	111.5	A200 A204 C205 D206 Y232	A200-H202 VanDerWaalsContact C-N 3.27Å; A200-H202 PolarHBondContact O-N 2.69Å; H202-A204 PolarHBondContact O-N 3.11Å; H202-C205 PolarHBondContact O-N 2.87Å; H202-D206 WeakPolarHBondContact O-CB 3.25Å; H202-D206 PolarHBondContact O-N 3.43Å; H202-Y232 HydrophobicContact CB-CD2 4.46Å; H202-Y232 HydrophobicContact CB-CE1 4.48Å; H202-Y232 HydrophobicContact CB-CE2 4.19Å
203	E	62.1	Low	62.1	Low	41 Å²	41	45.7 Å²	45.7	19%	0.192	24%	0.24	C	C	.	.	H	α-helix	trans	-67.5	-21.8	176.7	-87.2	168.6	-137	0	0	112.5	R160 A200 L207	R160-E203 WeakPolarHBondContact CD-OE2 3.39Å; R160-E203 WeakPolarHBondContact CG-OE2 3.22Å; R160-E203 IonicContact CZ-OE1 2.69Å; R160-E203 IonicContact CZ-OE2 3.85Å; R160-E203 IonicContact NE-OE1 2.77Å; R160-E203 IonicContact NE-OE2 3.79Å; R160-E203 IonicContact NH1-OE1 2.75Å; R160-E203 PolarHBondContact NH1-OE1 3.2Å; R160-E203 IonicContact NH1-OE2 2.7Å; R160-E203 IonicContact NH2-OE1 3.92Å; R160-E203 PolarHBondContact NH2-OE1 3.38Å; A200-E203 PolarHBondContact O-N 3.35Å; A200-E203 VanDerWaalsContact O-N 3.15Å; E203-L207 PolarHBondContact O-N 3.09Å
204	A	64.1	Low	61.8	Low	0 Å²	0	44 Å²	44	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-73.4	-44	167.7	0	0	0	0	0	112.1	N195 M196 A200 E201 H202 L208	N195-A204 HydrophobicContact CB-CB 3.85Å; M196-A204 HydrophobicContact CG-CB 4.23Å; M196-A204 HydrophobicContact SD-CB 4.2Å; A200-A204 PolarHBondContact O-N 3.12Å; E201-A204 WeakPolarHBondContact O-CB 3.35Å; E201-A204 PolarHBondContact O-N 2.68Å; H202-A204 PolarHBondContact O-N 3.11Å; A204-L208 WeakPolarHBondContact O-CB 3.25Å; A204-L208 PolarHBondContact O-N 3.38Å
205	C	63.9	Low	61.4	Low	8 Å²	8	48.4 Å²	48.4	5%	0.054	25%	0.254	C	S	.	.	H	α-helix	trans	-66.8	-42.6	177.8	-64	0	0	0	0	112.2	E201 H202 L207 L208 M209 Y232	E201-C205 PolarHBondContact O-N 3.22Å; E201-C205 PolarHBondContact O-SG 3.27Å; H202-C205 PolarHBondContact O-N 2.87Å; C205-L207 PolarHBondContact O-N 2.82Å; C205-L208 PolarHBondContact O-N 3.45Å; C205-L208 VanDerWaalsContact O-N 3.1Å; C205-M209 PolarHBondContact O-N 3.4Å; C205-Y232 HydrophobicContact CB-CD1 3.77Å; C205-Y232 HydrophobicContact CB-CE1 3.87Å
206	D	67.8	Low	61.2	Low	66 Å²	66	49.5 Å²	49.5	35%	0.353	26%	0.26	S	S	.	.	H	α-helix	trans	-57.3	-47.8	177.3	-68.4	-30.3	0	0	0	111.2	H202 L208 M209 E210 Y232	H202-D206 WeakPolarHBondContact O-CB 3.25Å; H202-D206 PolarHBondContact O-N 3.43Å; D206-L208 VanDerWaalsContact C-N 3.27Å; D206-L208 PolarHBondContact O-N 3.35Å; D206-M209 WeakPolarHBondContact O-CB 3.49Å; D206-M209 PolarHBondContact O-N 3.14Å; D206-E210 VanDerWaalsContact O-CG 3.3Å; D206-E210 WeakPolarHBondContact O-CG 3.49Å; D206-E210 PolarHBondContact O-N 3.27Å; D206-E210 VanDerWaalsContact O-N 3.13Å; D206-Y232 PolarHBondContact OD1-OH 2.81Å
207	L	64.1	Low	61.1	Low	8 Å²	8	49.1 Å²	49.1	4%	0.042	26%	0.258	C	S	.	.	H	α-helix	trans	-66.1	-28.7	177	173.5	137.9	0	0	0	112.7	A163 V188 I191 V192 E203 C205 I211	A163-L207 HydrophobicContact CB-CD1 3.37Å; V188-L207 HydrophobicContact CG1-CD2 3.9Å; V188-L207 HydrophobicContact CG2-CD2 4.3Å; I191-L207 HydrophobicContact CD1-CD1 4.22Å; I191-L207 HydrophobicContact CG2-CD1 4.14Å; I191-L207 HydrophobicContact CG2-CD2 4.4Å; V192-L207 HydrophobicContact CG2-CD2 3.93Å; E203-L207 PolarHBondContact O-N 3.09Å; C205-L207 PolarHBondContact O-N 2.82Å; L207-I211 HydrophobicContact CD1-CD1 4.43Å; L207-I211 HydrophobicContact CD2-CD1 4.03Å; L207-I211 HydrophobicContact CG-CD1 3.83Å; L207-I211 WeakPolarHBondContact O-CB 3.4Å; L207-I211 VanDerWaalsContact O-CD1 3.28Å; L207-I211 WeakPolarHBondContact O-CD1 3.5Å; L207-I211 WeakPolarHBondContact O-CG1 3.34Å
208	L	63.8	Low	60.8	Low	2 Å²	2	48.9 Å²	48.9	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-79.5	-30.8	177.6	-104.2	140.5	0	0	0	113.7	V192 A204 C205 D206 Q213 M216 L217	V192-L208 HydrophobicContact CB-CD1 4.25Å; V192-L208 HydrophobicContact CG1-CD1 3.7Å; V192-L208 HydrophobicContact CG2-CD1 3.48Å; V192-L208 VanDerWaalsContact CG2-CD1 3.48Å; V192-L208 HydrophobicContact CG2-CG 4.23Å; A204-L208 WeakPolarHBondContact O-CB 3.25Å; A204-L208 PolarHBondContact O-N 3.38Å; C205-L208 PolarHBondContact O-N 3.45Å; C205-L208 VanDerWaalsContact O-N 3.1Å; D206-L208 VanDerWaalsContact C-N 3.27Å; D206-L208 PolarHBondContact O-N 3.35Å; L208-Q213 WeakPolarHBondContact CD2-O 3.48Å; L208-M216 HydrophobicContact CD2-CB 4.07Å; L208-L217 HydrophobicContact CD1-CD2 3.7Å; L208-L217 HydrophobicContact CD1-CG 3.69Å; L208-L217 HydrophobicContact CD2-CG 4.2Å; L208-L217 HydrophobicContact CG-CG 4.36Å
209	M	60.3	Low	60.7	Low	36 Å²	36	51.9 Å²	51.9	18%	0.177	26%	0.256	C	S	.	.	H	α-helix	trans	-60.6	-58.2	168.2	-170.6	82.1	71.7	0	0	109.7	C205 D206 I211 E212 C236 V240 L248	C205-M209 PolarHBondContact O-N 3.4Å; D206-M209 WeakPolarHBondContact O-CB 3.49Å; D206-M209 PolarHBondContact O-N 3.14Å; M209-I211 PolarHBondContact O-N 3.19Å; M209-E212 PolarHBondContact O-N 2.99Å; M209-C236 HydrophobicContact CE-CB 3.97Å; M209-V240 HydrophobicContact CE-CG2 3.95Å; M209-V240 HydrophobicContact SD-CG2 4Å; M209-L248 HydrophobicContact CE-CD1 3.83Å; M209-L248 HydrophobicContact CE-CD2 3.88Å; M209-L248 HydrophobicContact SD-CD1 3.63Å; M209-L248 HydrophobicContact SD-CD2 3.57Å; M209-L248 VanDerWaalsContact SD-CD2 3.57Å; M209-L248 HydrophobicContact SD-CG 4.19Å
210	E	64.1	Low	60.6	Low	88 Å²	88	48.7 Å²	48.7	41%	0.411	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	0.3	-175.6	-63.1	-80.2	-145.7	0	0	114.9	A167 Q171 D206	A167-E210 HydrophobicContact CB-CB 3.73Å; A167-E210 HydrophobicContact CB-CG 4.23Å; Q171-E210 PolarHBondContact NE2-OE2 2.93Å; D206-E210 VanDerWaalsContact O-CG 3.3Å; D206-E210 WeakPolarHBondContact O-CG 3.49Å; D206-E210 PolarHBondContact O-N 3.27Å; D206-E210 VanDerWaalsContact O-N 3.13Å
211	I	59.8	Low	60.4	Low	1 Å²	1	48.8 Å²	48.8	1%	0.005	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.6	-0.5	-178.1	-64.4	179	0	0	0	111.8	V166 W170 V188 L207 M209 Q213	V166-I211 HydrophobicContact CG1-CD1 3.68Å; W170-I211 HydrophobicContact CB-CG1 4.36Å; W170-I211 HydrophobicContact CD2-CG1 4.47Å; W170-I211 HydrophobicContact CD2-CG2 3.99Å; W170-I211 HydrophobicContact CE3-CG2 4.27Å; W170-I211 HydrophobicContact CG-CG1 4.2Å; W170-I211 HydrophobicContact CG-CG2 4.49Å; W170-I211 HydrophobicContact CH2-CG2 4.21Å; W170-I211 HydrophobicContact CZ2-CG2 3.95Å; W170-I211 WeakPolarHBondContact CZ2-O 3.47Å; W170-I211 HydrophobicContact CZ3-CG2 4.37Å; W170-I211 PolarHBondContact NE1-O 2.87Å; W170-I211 VanDerWaalsContact NE1-O 3.15Å; V188-I211 HydrophobicContact CG2-CD1 3.4Å; V188-I211 VanDerWaalsContact CG2-CD1 3.4Å; L207-I211 HydrophobicContact CD1-CD1 4.43Å; L207-I211 HydrophobicContact CD2-CD1 4.03Å; L207-I211 HydrophobicContact CG-CD1 3.83Å; L207-I211 WeakPolarHBondContact O-CB 3.4Å; L207-I211 VanDerWaalsContact O-CD1 3.28Å; L207-I211 WeakPolarHBondContact O-CD1 3.5Å; L207-I211 WeakPolarHBondContact O-CG1 3.34Å; M209-I211 PolarHBondContact O-N 3.19Å; I211-Q213 HydrophobicContact CG2-CB 4.18Å; I211-Q213 HydrophobicContact CG2-CG 4.17Å; I211-Q213 WeakPolarHBondContact O-CG 3.35Å; I211-Q213 PolarHBondContact O-N 3.15Å; I211-Q213 VanDerWaalsContact O-N 3.08Å
212	E	59.9	Low	60.2	Low	142 Å²	142	53.2 Å²	53.2	66%	0.664	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	26.3	177	-54.6	179	147.6	0	0	113.8	M209	M209-E212 PolarHBondContact O-N 2.99Å
213	Q	58.1	Low	59.6	Low	72 Å²	72	56.4 Å²	56.4	34%	0.336	28%	0.275	S	S	.	.			trans	-121.9	36.9	-173.7	-74.6	-71	-84	0	0	112.3	W170 L185 L208 I211 D215 M216	W170-Q213 HydrophobicContact CZ2-CG 4.5Å; L185-Q213 HydrophobicContact CD1-CB 4.36Å; L185-Q213 HydrophobicContact CD1-CG 3.75Å; L208-Q213 WeakPolarHBondContact CD2-O 3.48Å; I211-Q213 HydrophobicContact CG2-CB 4.18Å; I211-Q213 HydrophobicContact CG2-CG 4.17Å; I211-Q213 WeakPolarHBondContact O-CG 3.35Å; I211-Q213 PolarHBondContact O-N 3.15Å; I211-Q213 VanDerWaalsContact O-N 3.08Å; Q213-D215 PolarHBondContact O-N 3.17Å; Q213-M216 PolarHBondContact O-N 2.9Å
214	V	57.2	Low	59.4	Low	11 Å²	11	61 Å²	61	7%	0.067	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-47.7	-37.4	-173	-160.9	0	0	0	0	112.6	M216 L217 L248 C251	V214-M216 PolarHBondContact O-N 3.13Å; V214-L217 HydrophobicContact CG1-CD1 3.97Å; V214-L217 VanDerWaalsContact O-CB 3.31Å; V214-L217 WeakPolarHBondContact O-CB 3.46Å; V214-L217 PolarHBondContact O-N 2.92Å; V214-L248 HydrophobicContact CG1-CD2 3.93Å; V214-L248 HydrophobicContact CG2-CD2 3.89Å; V214-C251 HydrophobicContact CB-CB 4.17Å; V214-C251 HydrophobicContact CG1-CB 3.54Å; V214-C251 PolarHBondContact O-SG 3.14Å
215	D	56.7	Low	59	Low	119 Å²	119	61.4 Å²	61.4	64%	0.636	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-48	-27.8	176.1	-59.4	-10.1	0	0	0	114.7	Q213 L217 E218	Q213-D215 PolarHBondContact O-N 3.17Å; D215-L217 PolarHBondContact O-N 2.96Å; D215-E218 PolarHBondContact O-N 3.45Å
216	M	55.8	Low	58.8	Low	29 Å²	29	62.9 Å²	62.9	14%	0.143	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-67.9	-24.6	179.2	-152.1	-177.4	-53	0	0	112.6	L185 V188 K189 L208 Q213 V214 E218 K219	L185-M216 HydrophobicContact CD1-CE 3.82Å; L185-M216 HydrophobicContact CG-CE 3.94Å; V188-M216 HydrophobicContact CG1-CE 4.26Å; V188-M216 HydrophobicContact CG1-SD 4.46Å; K189-M216 HydrophobicContact CB-SD 3.76Å; K189-M216 HydrophobicContact CD-SD 4.38Å; K189-M216 HydrophobicContact CG-SD 3.87Å; L208-M216 HydrophobicContact CD2-CB 4.07Å; Q213-M216 PolarHBondContact O-N 2.9Å; V214-M216 PolarHBondContact O-N 3.13Å; M216-E218 PolarHBondContact O-N 3.46Å; M216-K219 PolarHBondContact O-N 2.81Å
217	L	58.3	Low	58.4	Low	4 Å²	4	62.4 Å²	62.4	2%	0.021	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-56.2	-34.5	174	-80.9	165.9	0	0	0	112.3	L208 V214 D215 K219 I221	L208-L217 HydrophobicContact CD1-CD2 3.7Å; L208-L217 HydrophobicContact CD1-CG 3.69Å; L208-L217 HydrophobicContact CD2-CG 4.2Å; L208-L217 HydrophobicContact CG-CG 4.36Å; V214-L217 HydrophobicContact CG1-CD1 3.97Å; V214-L217 VanDerWaalsContact O-CB 3.31Å; V214-L217 WeakPolarHBondContact O-CB 3.46Å; V214-L217 PolarHBondContact O-N 2.92Å; D215-L217 PolarHBondContact O-N 2.96Å; L217-K219 PolarHBondContact O-N 3.01Å; L217-I221 HydrophobicContact CB-CD1 4.35Å; L217-I221 WeakPolarHBondContact O-CD1 3.49Å; L217-I221 VanDerWaalsContact O-CG1 3.26Å; L217-I221 WeakPolarHBondContact O-CG1 3.29Å
218	E	56.5	Low	58.4	Low	68 Å²	68	66.3 Å²	66.3	32%	0.318	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-65.9	-5.4	-174.1	-51	-166.5	136.2	0	0	114.7	D215 M216 G254 K258	D215-E218 PolarHBondContact O-N 3.45Å; M216-E218 PolarHBondContact O-N 3.46Å; E218-G254 VanDerWaalsContact OE1-CA 3.29Å; E218-G254 WeakPolarHBondContact OE1-CA 3.21Å; E218-K258 HydrophobicContact CB-CD 4.22Å; E218-K258 VanDerWaalsContact O-CD 3.23Å; E218-K258 WeakPolarHBondContact O-CD 3.45Å; E218-K258 PolarHBondContact O-NZ 3.22Å; E218-K258 WeakPolarHBondContact OE2-CE 3.29Å; E218-K258 IonicContact OE2-NZ 2.63Å; E218-K258 PolarHBondContact OE2-NZ 2.87Å
219	K	59.7	Low	58.3	Low	155 Å²	155	66.3 Å²	66.3	67%	0.674	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-102.5	-32.7	-171.6	-163	172.9	-175.6	176.7	0	114.3	M216 L217	M216-K219 PolarHBondContact O-N 2.81Å; L217-K219 PolarHBondContact O-N 3.01Å
220	D	55.3	Low	58.4	Low	53 Å²	53	64.8 Å²	64.8	28%	0.283	32%	0.321	S	S	.	.	S	Bend	trans	-126.3	33.1	-160.6	-56.1	-48.2	0	0	0	112.6	P193	P193-D220 HydrophobicContact CG-CB 4.15Å
221	I	56.1	Low	58.4	Low	22 Å²	22	65.2 Å²	65.2	11%	0.113	33%	0.325	C	S	.	.			trans	-101.2	139	176.8	-62.6	165.2	0	0	0	111.1	M196 L217 A225 V229 V255 F259	M196-I221 HydrophobicContact CE-CB 4.07Å; M196-I221 HydrophobicContact CE-CG1 3.73Å; M196-I221 HydrophobicContact CE-CG2 4.11Å; L217-I221 HydrophobicContact CB-CD1 4.35Å; L217-I221 WeakPolarHBondContact O-CD1 3.49Å; L217-I221 VanDerWaalsContact O-CG1 3.26Å; L217-I221 WeakPolarHBondContact O-CG1 3.29Å; I221-A225 HydrophobicContact CG2-CB 4.27Å; I221-V229 HydrophobicContact CD1-CG1 4.21Å; I221-V255 HydrophobicContact CD1-CB 4.36Å; I221-V255 HydrophobicContact CD1-CG1 3.71Å; I221-V255 HydrophobicContact CD1-CG2 3.62Å; I221-F259 HydrophobicContact CB-CE2 3.9Å; I221-F259 HydrophobicContact CB-CZ 3.88Å; I221-F259 HydrophobicContact CG2-CE2 3.55Å; I221-F259 HydrophobicContact CG2-CZ 3.57Å; I221-F259 WeakPolarHBondContact O-CZ 3.43Å
222	D	55.7	Low	58.7	Low	105 Å²	105	68.7 Å²	68.7	56%	0.561	34%	0.339	S	S	*	.			trans	-97.9	159.1	175.7	-88.7	-46.7	0	0	0	113.9	N224 A225 Y226	D222-N224 PolarHBondContact O-N 3.05Å; D222-A225 HydrophobicContact CB-CB 4.39Å; D222-A225 PolarHBondContact O-N 3.38Å; D222-Y226 PolarHBondContact O-N 2.82Å; D222-Y226 VanDerWaalsContact O-N 3.16Å
223	E	53.3	Low	59	Low	154 Å²	154	62.5 Å²	62.5	72%	0.72	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-15.5	178.6	-68.6	-172.6	170	0	0	115.6	Y226	E223-Y226 WeakPolarHBondContact O-CD1 3.44Å; E223-Y226 WeakPolarHBondContact O-CE1 3.5Å
224	N	56	Low	59.2	Low	139 Å²	139	59.8 Å²	59.8	74%	0.743	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.4	-23.6	175.1	-68.4	-83	0	0	0	112.7	D222	D222-N224 PolarHBondContact O-N 3.05Å
225	A	57.5	Low	59.5	Low	7 Å²	7	61.4 Å²	61.4	6%	0.058	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-36	-177	0	0	0	0	0	112.5	M196 E201 I221 D222 S227 K228 V229	M196-A225 HydrophobicContact CE-CB 3.58Å; E201-A225 HydrophobicContact CG-CB 4.18Å; I221-A225 HydrophobicContact CG2-CB 4.27Å; D222-A225 HydrophobicContact CB-CB 4.39Å; D222-A225 PolarHBondContact O-N 3.38Å; A225-S227 PolarHBondContact O-N 3.03Å; A225-S227 VanDerWaalsContact O-N 3.08Å; A225-K228 PolarHBondContact O-N 3.27Å; A225-V229 PolarHBondContact O-N 3.49Å
226	Y	58.7	Low	59.8	Low	39 Å²	39	56.4 Å²	56.4	15%	0.153	29%	0.285	C	S	.	.	H	α-helix	trans	-53.8	-38.5	-174	75.4	-104.5	0	0	0	112.7	D222 E223 K228 V229 C230 F259 R261	D222-Y226 PolarHBondContact O-N 2.82Å; D222-Y226 VanDerWaalsContact O-N 3.16Å; E223-Y226 WeakPolarHBondContact O-CD1 3.44Å; E223-Y226 WeakPolarHBondContact O-CE1 3.5Å; Y226-K228 VanDerWaalsContact C-N 3.34Å; Y226-K228 PolarHBondContact O-N 3.22Å; Y226-V229 PolarHBondContact O-N 3.48Å; Y226-C230 VanDerWaalsContact O-CB 3.25Å; Y226-C230 WeakPolarHBondContact O-CB 3.34Å; Y226-C230 PolarHBondContact O-N 3.04Å; Y226-C230 PolarHBondContact O-SG 2.93Å; Y226-F259 AromaticContact CD1-CD1 3.66Å; Y226-F259 HydrophobicContact CD1-CD1 3.66Å; Y226-F259 HydrophobicContact CD1-CD2 4.21Å; Y226-F259 AromaticContact CD1-CE1 3.92Å; Y226-F259 HydrophobicContact CD1-CE1 3.92Å; Y226-F259 HydrophobicContact CD1-CE2 4.45Å; Y226-F259 AromaticContact CD1-CG 3.84Å; Y226-F259 HydrophobicContact CD1-CG 3.84Å; Y226-F259 HydrophobicContact CD1-CZ 4.32Å; Y226-F259 HydrophobicContact CE1-CD1 4.15Å; Y226-F259 HydrophobicContact CE1-CG 4.44Å; Y226-F259 HydrophobicContact CG-CD1 4.25Å; Y226-F259 AromaticContact CG-CD2 3.98Å; Y226-F259 HydrophobicContact CG-CD2 3.98Å; Y226-F259 HydrophobicContact CG-CE2 4.32Å; Y226-F259 AromaticContact CG-CG 3.97Å; Y226-F259 HydrophobicContact CG-CG 3.97Å; Y226-R261 PolarHBondContact OH-NE 3.45Å; Y226-R261 VanDerWaalsContact OH-NE 3.16Å; Y226-R261 PolarHBondContact OH-NH2 2.98Å
227	S	59.4	Low	60	Low	56 Å²	56	55.8 Å²	55.8	39%	0.392	28%	0.282	S	S	.	.	H	α-helix	trans	-65.4	-36.9	-177.3	65.1	0	0	0	0	112.6	A225 L231	A225-S227 PolarHBondContact O-N 3.03Å; A225-S227 VanDerWaalsContact O-N 3.08Å; S227-L231 WeakPolarHBondContact O-CB 3.3Å; S227-L231 WeakPolarHBondContact O-CD1 3.5Å; S227-L231 WeakPolarHBondContact O-CG 3.32Å; S227-L231 PolarHBondContact O-N 2.99Å
228	K	63.3	Low	60	Low	91 Å²	91	59.2 Å²	59.2	40%	0.396	30%	0.3	S	S	.	.	H	α-helix	trans	-74.3	-47.3	172.7	-60	-167.1	-147.7	141.1	0	111.4	N199 E201 A225 Y226 C230 L231 Y232	N199-K228 PolarHBondContact OD1-NZ 3.33Å; E201-K228 WeakPolarHBondContact OE1-CD 3.45Å; E201-K228 WeakPolarHBondContact OE1-CE 3.32Å; E201-K228 IonicContact OE1-NZ 3.74Å; E201-K228 PolarHBondContact OE1-NZ 3.24Å; E201-K228 IonicContact OE2-NZ 3.42Å; E201-K228 PolarHBondContact OE2-NZ 3.4Å; A225-K228 PolarHBondContact O-N 3.27Å; Y226-K228 VanDerWaalsContact C-N 3.34Å; Y226-K228 PolarHBondContact O-N 3.22Å; K228-C230 PolarHBondContact O-N 3.03Å; K228-L231 PolarHBondContact O-N 3.13Å; K228-Y232 VanDerWaalsContact O-CB 3.29Å; K228-Y232 WeakPolarHBondContact O-CB 3.47Å; K228-Y232 PolarHBondContact O-N 2.98Å
229	V	62.9	Low	60.3	Low	2 Å²	2	64.5 Å²	64.5	1%	0.012	32%	0.319	C	S	.	.	H	α-helix	trans	-58.6	-47.3	-178.1	169.2	0	0	0	0	110.8	M196 E201 I221 A225 Y226 Y232 L233	M196-V229 HydrophobicContact CE-CG2 4.04Å; M196-V229 HydrophobicContact SD-CG2 4.17Å; E201-V229 HydrophobicContact CB-CG2 3.86Å; E201-V229 HydrophobicContact CG-CG2 4.32Å; I221-V229 HydrophobicContact CD1-CG1 4.21Å; A225-V229 PolarHBondContact O-N 3.49Å; Y226-V229 PolarHBondContact O-N 3.48Å; V229-Y232 PolarHBondContact O-N 3.01Å; V229-L233 VanDerWaalsContact O-CB 3.26Å; V229-L233 WeakPolarHBondContact O-CB 3.32Å; V229-L233 PolarHBondContact O-N 3.34Å
230	C	61.2	Low	60.3	Low	4 Å²	4	58.3 Å²	58.3	3%	0.027	29%	0.294	C	S	.	.	H	α-helix	trans	-66.4	-43.5	177.1	-64.1	0	0	0	0	112	Y226 K228 Y232 L233 T234 F256	Y226-C230 VanDerWaalsContact O-CB 3.25Å; Y226-C230 WeakPolarHBondContact O-CB 3.34Å; Y226-C230 PolarHBondContact O-N 3.04Å; Y226-C230 PolarHBondContact O-SG 2.93Å; K228-C230 PolarHBondContact O-N 3.03Å; C230-Y232 VanDerWaalsContact C-N 3.27Å; C230-Y232 PolarHBondContact O-N 3.11Å; C230-L233 PolarHBondContact O-N 3.45Å; C230-T234 VanDerWaalsContact O-CB 3.23Å; C230-T234 WeakPolarHBondContact O-CB 3.18Å; C230-T234 PolarHBondContact O-N 3.05Å; C230-T234 PolarHBondContact O-OG1 3.23Å; C230-F256 HydrophobicContact CB-CE1 3.81Å; C230-F256 HydrophobicContact CB-CE2 4.03Å; C230-F256 HydrophobicContact CB-CZ 3.41Å; C230-F256 VanDerWaalsContact CB-CZ 3.41Å
231	L	65.3	Low	60.3	Low	96 Å²	96	59.7 Å²	59.7	50%	0.503	31%	0.306	S	S	.	.	H	α-helix	trans	-61.2	-36.8	174.4	-78.6	171.7	0	0	0	112.4	S227 K228 S235	S227-L231 WeakPolarHBondContact O-CB 3.3Å; S227-L231 WeakPolarHBondContact O-CD1 3.5Å; S227-L231 WeakPolarHBondContact O-CG 3.32Å; S227-L231 PolarHBondContact O-N 2.99Å; K228-L231 PolarHBondContact O-N 3.13Å; L231-S235 WeakPolarHBondContact O-CB 3.34Å; L231-S235 PolarHBondContact O-N 3.44Å; L231-S235 VanDerWaalsContact O-N 3.08Å; L231-S235 PolarHBondContact O-OG 3.35Å
232	Y	66.5	Low	59.9	Low	75 Å²	75	63 Å²	63	29%	0.294	32%	0.321	S	S	.	.	H	α-helix	trans	-67.6	-52	176.8	-170.6	-104.8	0	0	0	111	H202 C205 D206 K228 V229 C230 T234 S235 C236	H202-Y232 HydrophobicContact CB-CD2 4.46Å; H202-Y232 HydrophobicContact CB-CE1 4.48Å; H202-Y232 HydrophobicContact CB-CE2 4.19Å; C205-Y232 HydrophobicContact CB-CD1 3.77Å; C205-Y232 HydrophobicContact CB-CE1 3.87Å; D206-Y232 PolarHBondContact OD1-OH 2.81Å; K228-Y232 VanDerWaalsContact O-CB 3.29Å; K228-Y232 WeakPolarHBondContact O-CB 3.47Å; K228-Y232 PolarHBondContact O-N 2.98Å; V229-Y232 PolarHBondContact O-N 3.01Å; C230-Y232 VanDerWaalsContact C-N 3.27Å; C230-Y232 PolarHBondContact O-N 3.11Å; Y232-T234 VanDerWaalsContact C-N 3.35Å; Y232-T234 PolarHBondContact O-N 3.08Å; Y232-S235 CarbonylContact O-C 3.41Å; Y232-S235 WeakPolarHBondContact O-CA 3.09Å; Y232-S235 VanDerWaalsContact O-CB 3.27Å; Y232-S235 WeakPolarHBondContact O-CB 3.32Å; Y232-S235 PolarHBondContact O-N 3.11Å; Y232-C236 WeakPolarHBondContact CE1-SG 3.08Å; Y232-C236 PolarHBondContact O-N 3.4Å; Y232-C236 PolarHBondContact O-SG 3.37Å
233	L	65.3	Low	59.9	Low	11 Å²	11	61.8 Å²	61.8	6%	0.058	32%	0.319	C	S	.	.	H	α-helix	trans	-61.8	-40	179.2	-168.8	52.3	0	0	0	112	V229 C230 S235 C236 V237 L248 A252	V229-L233 VanDerWaalsContact O-CB 3.26Å; V229-L233 WeakPolarHBondContact O-CB 3.32Å; V229-L233 PolarHBondContact O-N 3.34Å; C230-L233 PolarHBondContact O-N 3.45Å; L233-S235 PolarHBondContact O-N 2.84Å; L233-C236 PolarHBondContact O-N 2.6Å; L233-V237 PolarHBondContact O-N 2.68Å; L233-V237 VanDerWaalsContact O-N 3.07Å; L233-L248 HydrophobicContact CD1-CB 3.92Å; L233-L248 HydrophobicContact CD1-CD2 3.7Å; L233-L248 HydrophobicContact CD1-CG 4.31Å; L233-A252 HydrophobicContact CD2-CB 3.63Å; L233-A252 HydrophobicContact CG-CB 4.09Å
234	T	63.7	Low	60.2	Low	16 Å²	16	57.7 Å²	57.7	10%	0.098	30%	0.3	C	S	.	.	H	α-helix	trans	-74.1	-5.6	171.5	-51	0	0	0	0	113.6	C230 Y232 V237 Q786	C230-T234 VanDerWaalsContact O-CB 3.23Å; C230-T234 WeakPolarHBondContact O-CB 3.18Å; C230-T234 PolarHBondContact O-N 3.05Å; C230-T234 PolarHBondContact O-OG1 3.23Å; Y232-T234 VanDerWaalsContact C-N 3.35Å; Y232-T234 PolarHBondContact O-N 3.08Å; T234-V237 WeakPolarHBondContact O-CG1 3.2Å; T234-Q786 VanDerWaalsContact CG2-OE1 3.28Å
235	S	63.2	Low	60.5	Low	45 Å²	45	51.8 Å²	51.8	32%	0.315	27%	0.268	S	S	.	.	H	α-helix	trans	-93.3	-42.1	166.4	-59	0	0	0	0	111	L231 Y232 L233 V237 N238 Y239	L231-S235 WeakPolarHBondContact O-CB 3.34Å; L231-S235 PolarHBondContact O-N 3.44Å; L231-S235 VanDerWaalsContact O-N 3.08Å; L231-S235 PolarHBondContact O-OG 3.35Å; Y232-S235 CarbonylContact O-C 3.41Å; Y232-S235 WeakPolarHBondContact O-CA 3.09Å; Y232-S235 VanDerWaalsContact O-CB 3.27Å; Y232-S235 WeakPolarHBondContact O-CB 3.32Å; Y232-S235 PolarHBondContact O-N 3.11Å; L233-S235 PolarHBondContact O-N 2.84Å; S235-V237 PolarHBondContact O-N 2.87Å; S235-N238 PolarHBondContact O-N 3.42Å; S235-N238 PolarHBondContact O-ND2 3.36Å; S235-Y239 WeakPolarHBondContact O-CD2 3.48Å
236	C	61.9	Low	60.8	Low	14 Å²	14	52.5 Å²	52.5	10%	0.095	27%	0.273	C	S	.	.	H	α-helix	trans	-57.5	-30.1	173.1	-62.9	0	0	0	0	113.1	M209 Y232 L233 N238 Y239 V240	M209-C236 HydrophobicContact CE-CB 3.97Å; Y232-C236 WeakPolarHBondContact CE1-SG 3.08Å; Y232-C236 PolarHBondContact O-N 3.4Å; Y232-C236 PolarHBondContact O-SG 3.37Å; L233-C236 PolarHBondContact O-N 2.6Å; C236-N238 PolarHBondContact O-N 2.62Å; C236-Y239 PolarHBondContact O-N 2.7Å; C236-V240 PolarHBondContact O-N 2.64Å
237	V	59.6	Low	61.1	Low	15 Å²	15	52.8 Å²	52.8	9%	0.091	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.8	-27.7	174	86.7	0	0	0	0	114.1	L233 T234 S235 N245 L249	L233-V237 PolarHBondContact O-N 2.68Å; L233-V237 VanDerWaalsContact O-N 3.07Å; T234-V237 WeakPolarHBondContact O-CG1 3.2Å; S235-V237 PolarHBondContact O-N 2.87Å; V237-N245 WeakPolarHBondContact CA-OD1 3.37Å; V237-N245 WeakPolarHBondContact CG2-OD1 3.47Å; V237-N245 PolarHBondContact O-OD1 3.44Å; V237-L249 HydrophobicContact CG2-CD1 3.91Å; V237-L249 HydrophobicContact CG2-CD2 3.88Å; V237-L249 HydrophobicContact CG2-CG 3.79Å
238	N	59.3	Low	61.4	Low	76 Å²	76	50.3 Å²	50.3	41%	0.406	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-1.9	-178.3	-45.5	-82.1	0	0	0	113.3	S235 C236	S235-N238 PolarHBondContact O-N 3.42Å; S235-N238 PolarHBondContact O-ND2 3.36Å; C236-N238 PolarHBondContact O-N 2.62Å
239	Y	61.8	Low	61.5	Low	179 Å²	179	46.6 Å²	46.6	70%	0.702	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-122.6	-13.8	-173.8	-62	-63.7	0	0	0	113.4	S235 C236	S235-Y239 WeakPolarHBondContact O-CD2 3.48Å; C236-Y239 PolarHBondContact O-N 2.7Å
240	V	59.6	Low	61.8	Low	25 Å²	25	51.4 Å²	51.4	15%	0.152	27%	0.268	C	S	.	.	S	Bend	trans	-100.1	134.6	178.8	177.7	0	0	0	0	109.8	M209 C236 E244 L248	M209-V240 HydrophobicContact CE-CG2 3.95Å; M209-V240 HydrophobicContact SD-CG2 4Å; C236-V240 PolarHBondContact O-N 2.64Å; V240-E244 HydrophobicContact CG1-CB 3.74Å; V240-E244 HydrophobicContact CG1-CG 3.8Å; V240-L248 HydrophobicContact CB-CD1 3.92Å; V240-L248 HydrophobicContact CG1-CD1 3.75Å; V240-L248 HydrophobicContact CG2-CD1 3.79Å
241	P	55.9	Low	62	Low	83 Å²	83	51.3 Å²	51.3	54%	0.539	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-73.1	153.3	177.2	30.8	-35.4	0	0	0	112.8	E244 N245	P241-E244 PolarHBondContact O-N 3.49Å; P241-N245 PolarHBondContact O-N 2.98Å
242	E	48.2	Very low	61.9	Low	90 Å²	90	46.9 Å²	46.9	42%	0.421	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	134.1	158.1	-56.4	-57.4	157.8	0	0	109.2	N245	E242-N245 PolarHBondContact OE1-ND2 3.19Å
243	P	56.3	Low	61.9	Low	81 Å²	81	43.6 Å²	43.6	53%	0.526	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	cis	-96.4	-11.3	19.5	-3.4	24	0	0	0	115.6	N245 S246	P243-N245 VanDerWaalsContact C-N 3.27Å; P243-N245 PolarHBondContact O-N 2.95Å; P243-S246 WeakPolarHBondContact O-CB 3.47Å; P243-S246 PolarHBondContact O-N 3.46Å; P243-S246 PolarHBondContact O-OG 3.34Å
244	E	58.2	Low	61.8	Low	68 Å²	68	43.4 Å²	43.4	32%	0.318	23%	0.233	S	C	.	.	H	α-helix	trans	-64	-33.4	-172	-175.2	176.5	-162.8	0	0	112.1	V240 P241 S246 A247 L248	V240-E244 HydrophobicContact CG1-CB 3.74Å; V240-E244 HydrophobicContact CG1-CG 3.8Å; P241-E244 PolarHBondContact O-N 3.49Å; E244-S246 PolarHBondContact O-N 3.44Å; E244-A247 WeakPolarHBondContact O-CB 3.41Å; E244-A247 PolarHBondContact O-N 2.91Å; E244-L248 HydrophobicContact CG-CD1 4.48Å; E244-L248 WeakPolarHBondContact O-CG 3.35Å; E244-L248 PolarHBondContact O-N 3.42Å
245	N	62	Low	61.9	Low	15 Å²	15	42.8 Å²	42.8	8%	0.08	23%	0.229	C	C	.	.	H	α-helix	trans	-50	-42	170.6	-170.4	37.4	0	0	0	113.1	V237 P241 E242 P243 A247 L248 L249	V237-N245 WeakPolarHBondContact CA-OD1 3.37Å; V237-N245 WeakPolarHBondContact CG2-OD1 3.47Å; V237-N245 PolarHBondContact O-OD1 3.44Å; P241-N245 PolarHBondContact O-N 2.98Å; E242-N245 PolarHBondContact OE1-ND2 3.19Å; P243-N245 VanDerWaalsContact C-N 3.27Å; P243-N245 PolarHBondContact O-N 2.95Å; N245-A247 VanDerWaalsContact C-N 3.31Å; N245-A247 PolarHBondContact O-N 3.12Å; N245-L248 PolarHBondContact O-N 3.04Å; N245-L249 WeakPolarHBondContact O-CB 3.21Å; N245-L249 PolarHBondContact O-N 3.45Å
246	S	63.7	Low	62	Low	22 Å²	22	41.4 Å²	41.4	15%	0.154	22%	0.217	C	C	.	.	H	α-helix	trans	-68.3	-26.6	177.9	82.9	0	0	0	0	113.6	P243 E244 R250	P243-S246 WeakPolarHBondContact O-CB 3.47Å; P243-S246 PolarHBondContact O-N 3.46Å; P243-S246 PolarHBondContact O-OG 3.34Å; E244-S246 PolarHBondContact O-N 3.44Å; S246-R250 VanDerWaalsContact CB-NH1 3.35Å; S246-R250 WeakPolarHBondContact O-CB 3.18Å; S246-R250 VanDerWaalsContact O-CG 3.26Å; S246-R250 WeakPolarHBondContact O-CG 3.38Å; S246-R250 PolarHBondContact O-N 3.12Å; S246-R250 PolarHBondContact O-NH1 3.17Å; S246-R250 PolarHBondContact OG-NH1 2.87Å
247	A	65.3	Low	62.2	Low	45 Å²	45	44 Å²	44	37%	0.372	23%	0.225	S	C	.	.	H	α-helix	trans	-76.5	-42.6	173.9	0	0	0	0	0	111.2	E244 N245 L249 R250 C251	E244-A247 WeakPolarHBondContact O-CB 3.41Å; E244-A247 PolarHBondContact O-N 2.91Å; N245-A247 VanDerWaalsContact C-N 3.31Å; N245-A247 PolarHBondContact O-N 3.12Å; A247-L249 PolarHBondContact O-N 3.17Å; A247-R250 PolarHBondContact O-N 3.14Å; A247-C251 PolarHBondContact O-N 3.05Å
248	L	65.3	Low	62.4	Low	4 Å²	4	48.7 Å²	48.7	2%	0.021	24%	0.244	C	C	.	.	H	α-helix	trans	-59.7	-45.1	175	-64.2	168.2	0	0	0	111.8	M209 V214 L233 V240 E244 N245 C251 A252	M209-L248 HydrophobicContact CE-CD1 3.83Å; M209-L248 HydrophobicContact CE-CD2 3.88Å; M209-L248 HydrophobicContact SD-CD1 3.63Å; M209-L248 HydrophobicContact SD-CD2 3.57Å; M209-L248 VanDerWaalsContact SD-CD2 3.57Å; M209-L248 HydrophobicContact SD-CG 4.19Å; V214-L248 HydrophobicContact CG1-CD2 3.93Å; V214-L248 HydrophobicContact CG2-CD2 3.89Å; L233-L248 HydrophobicContact CD1-CB 3.92Å; L233-L248 HydrophobicContact CD1-CD2 3.7Å; L233-L248 HydrophobicContact CD1-CG 4.31Å; V240-L248 HydrophobicContact CB-CD1 3.92Å; V240-L248 HydrophobicContact CG1-CD1 3.75Å; V240-L248 HydrophobicContact CG2-CD1 3.79Å; E244-L248 HydrophobicContact CG-CD1 4.48Å; E244-L248 WeakPolarHBondContact O-CG 3.35Å; E244-L248 PolarHBondContact O-N 3.42Å; N245-L248 PolarHBondContact O-N 3.04Å; L248-C251 PolarHBondContact O-N 3.5Å; L248-A252 VanDerWaalsContact O-CB 3.32Å; L248-A252 WeakPolarHBondContact O-CB 3.42Å; L248-A252 PolarHBondContact O-N 2.84Å
249	L	67.2	Low	62.4	Low	12 Å²	12	47.6 Å²	47.6	6%	0.063	24%	0.236	C	C	.	.	H	α-helix	trans	-61.9	-40.6	174.5	-82.2	164.2	0	0	0	112.5	V237 N245 A247 A252 L253 L268 M271 L272	V237-L249 HydrophobicContact CG2-CD1 3.91Å; V237-L249 HydrophobicContact CG2-CD2 3.88Å; V237-L249 HydrophobicContact CG2-CG 3.79Å; N245-L249 WeakPolarHBondContact O-CB 3.21Å; N245-L249 PolarHBondContact O-N 3.45Å; A247-L249 PolarHBondContact O-N 3.17Å; L249-A252 PolarHBondContact O-N 3.37Å; L249-L253 VanDerWaalsContact O-CB 3.28Å; L249-L253 WeakPolarHBondContact O-CB 3.29Å; L249-L253 PolarHBondContact O-N 2.96Å; L249-L268 HydrophobicContact CD2-CB 4.39Å; L249-L268 HydrophobicContact CD2-CD2 3.97Å; L249-L268 HydrophobicContact CD2-CG 3.9Å; L249-M271 HydrophobicContact CD2-CB 4.36Å; L249-M271 HydrophobicContact CD2-SD 4.32Å; L249-L272 HydrophobicContact CB-CD1 4.08Å; L249-L272 HydrophobicContact CB-CD2 3.69Å; L249-L272 HydrophobicContact CB-CG 3.86Å; L249-L272 HydrophobicContact CD1-CD2 4.17Å; L249-L272 HydrophobicContact CD1-CG 4.43Å
250	R	69.4	Low	62.2	Low	103 Å²	103	42.9 Å²	42.9	39%	0.389	23%	0.229	S	C	.	.	H	α-helix	trans	-68	-41	177.1	-75.9	178.9	-169.4	107.9	-1.4	112.5	S246 A247 L253 G254 L272 D274 L277	S246-R250 VanDerWaalsContact CB-NH1 3.35Å; S246-R250 WeakPolarHBondContact O-CB 3.18Å; S246-R250 VanDerWaalsContact O-CG 3.26Å; S246-R250 WeakPolarHBondContact O-CG 3.38Å; S246-R250 PolarHBondContact O-N 3.12Å; S246-R250 PolarHBondContact O-NH1 3.17Å; S246-R250 PolarHBondContact OG-NH1 2.87Å; A247-R250 PolarHBondContact O-N 3.14Å; R250-L253 WeakPolarHBondContact O-CB 3.48Å; R250-L253 PolarHBondContact O-N 3.47Å; R250-G254 PolarHBondContact O-N 3.4Å; R250-L272 HydrophobicContact CB-CD1 4.5Å; R250-L272 HydrophobicContact CG-CD1 3.56Å; R250-L272 HydrophobicContact CG-CD2 4.06Å; R250-L272 HydrophobicContact CG-CG 4.48Å; R250-D274 IonicContact CZ-OD2 3.32Å; R250-D274 IonicContact NE-OD2 3.76Å; R250-D274 PolarHBondContact NE-OD2 2.68Å; R250-D274 IonicContact NH2-OD1 2.73Å; R250-D274 IonicContact NH2-OD2 2.75Å; R250-D274 PolarHBondContact NH2-OD2 2.86Å; R250-L277 HydrophobicContact CG-CD1 4.48Å
251	C	63.5	Low	62.4	Low	3 Å²	3	45.7 Å²	45.7	2%	0.02	24%	0.237	C	C	.	.	H	α-helix	trans	-66.6	-42.1	173.4	-176.2	0	0	0	0	111.7	V214 A247 L248 L253 G254 V255	V214-C251 HydrophobicContact CB-CB 4.17Å; V214-C251 HydrophobicContact CG1-CB 3.54Å; V214-C251 PolarHBondContact O-SG 3.14Å; A247-C251 PolarHBondContact O-N 3.05Å; L248-C251 PolarHBondContact O-N 3.5Å; C251-L253 VanDerWaalsContact C-N 3.29Å; C251-L253 PolarHBondContact O-N 3.43Å; C251-G254 PolarHBondContact O-N 2.85Å; C251-G254 VanDerWaalsContact O-N 3.1Å; C251-V255 WeakPolarHBondContact O-CG2 3.46Å; C251-V255 PolarHBondContact O-N 3.26Å
252	A	64.4	Low	62.7	Low	2 Å²	2	43.2 Å²	43.2	2%	0.017	22%	0.218	C	C	.	.	H	α-helix	trans	-57.9	-41.4	174.2	0	0	0	0	0	112.2	L233 L248 L249 V255 F256 L268	L233-A252 HydrophobicContact CD2-CB 3.63Å; L233-A252 HydrophobicContact CG-CB 4.09Å; L248-A252 VanDerWaalsContact O-CB 3.32Å; L248-A252 WeakPolarHBondContact O-CB 3.42Å; L248-A252 PolarHBondContact O-N 2.84Å; L249-A252 PolarHBondContact O-N 3.37Å; A252-V255 PolarHBondContact O-N 2.93Å; A252-F256 WeakPolarHBondContact O-CD2 3.32Å; A252-F256 PolarHBondContact O-N 2.86Å; A252-L268 HydrophobicContact CB-CD2 3.34Å
253	L	65.8	Low	63.3	Low	6 Å²	6	39.3 Å²	39.3	3%	0.031	20%	0.201	C	C	.	.	H	α-helix	trans	-62.8	-43.8	173.1	178.5	165.1	0	0	0	111.7	L249 R250 C251 F256 R257 L268 A269 L272 L277 I281	L249-L253 VanDerWaalsContact O-CB 3.28Å; L249-L253 WeakPolarHBondContact O-CB 3.29Å; L249-L253 PolarHBondContact O-N 2.96Å; R250-L253 WeakPolarHBondContact O-CB 3.48Å; R250-L253 PolarHBondContact O-N 3.47Å; C251-L253 VanDerWaalsContact C-N 3.29Å; C251-L253 PolarHBondContact O-N 3.43Å; L253-F256 PolarHBondContact O-N 3.29Å; L253-R257 HydrophobicContact CD2-CG 4.13Å; L253-R257 WeakPolarHBondContact O-CG 3.46Å; L253-R257 PolarHBondContact O-N 3.35Å; L253-L268 HydrophobicContact CB-CB 4.46Å; L253-A269 HydrophobicContact CD1-CB 3.72Å; L253-L272 HydrophobicContact CD1-CD1 3.86Å; L253-L277 HydrophobicContact CD1-CB 4.44Å; L253-L277 HydrophobicContact CD1-CD1 4.21Å; L253-I281 HydrophobicContact CD1-CD1 4.02Å; L253-I281 HydrophobicContact CD2-CD1 4.08Å; L253-I281 HydrophobicContact CG-CD1 3.93Å
254	G	64.1	Low	63.7	Low	8 Å²	8	36.8 Å²	36.8	8%	0.082	18%	0.182	C	C	.	.	H	α-helix	trans	-60.8	-42.1	174.6	0	0	0	0	0	113.4	E218 R250 C251 R257 K258	E218-G254 VanDerWaalsContact OE1-CA 3.29Å; E218-G254 WeakPolarHBondContact OE1-CA 3.21Å; R250-G254 PolarHBondContact O-N 3.4Å; C251-G254 PolarHBondContact O-N 2.85Å; C251-G254 VanDerWaalsContact O-N 3.1Å; G254-R257 PolarHBondContact O-N 3.04Å; G254-K258 WeakPolarHBondContact O-CG 3.24Å; G254-K258 PolarHBondContact O-N 2.91Å; G254-K258 VanDerWaalsContact O-N 3.12Å
255	V	66.1	Low	63.9	Low	3 Å²	3	33.6 Å²	33.6	2%	0.018	17%	0.167	C	C	.	.	H	α-helix	trans	-59.5	-50.5	170.5	171.2	0	0	0	0	110.9	I221 C251 A252 R257 K258 F259	I221-V255 HydrophobicContact CD1-CB 4.36Å; I221-V255 HydrophobicContact CD1-CG1 3.71Å; I221-V255 HydrophobicContact CD1-CG2 3.62Å; C251-V255 WeakPolarHBondContact O-CG2 3.46Å; C251-V255 PolarHBondContact O-N 3.26Å; A252-V255 PolarHBondContact O-N 2.93Å; V255-R257 PolarHBondContact O-N 3.43Å; V255-K258 PolarHBondContact O-N 3.28Å; V255-K258 VanDerWaalsContact O-N 3.14Å; V255-F259 HydrophobicContact CG1-CD2 3.86Å; V255-F259 HydrophobicContact CG1-CE2 3.92Å; V255-F259 VanDerWaalsContact O-CD2 3.26Å; V255-F259 WeakPolarHBondContact O-CD2 3.38Å; V255-F259 PolarHBondContact O-N 3.34Å; V255-F259 VanDerWaalsContact O-N 3.09Å
256	F	65.1	Low	63.9	Low	15 Å²	15	32.9 Å²	32.9	7%	0.066	16%	0.163	C	C	.	.	H	α-helix	trans	-62.8	-36.8	178	-76.2	-60.2	0	0	0	113.3	C230 A252 L253 K258 F259 S260 R261 E264 A265 L268	C230-F256 HydrophobicContact CB-CE1 3.81Å; C230-F256 HydrophobicContact CB-CE2 4.03Å; C230-F256 HydrophobicContact CB-CZ 3.41Å; C230-F256 VanDerWaalsContact CB-CZ 3.41Å; A252-F256 WeakPolarHBondContact O-CD2 3.32Å; A252-F256 PolarHBondContact O-N 2.86Å; L253-F256 PolarHBondContact O-N 3.29Å; F256-K258 VanDerWaalsContact C-N 3.33Å; F256-K258 PolarHBondContact O-N 3.12Å; F256-F259 PolarHBondContact O-N 3.1Å; F256-S260 PolarHBondContact O-N 3.18Å; F256-R261 HydrophobicContact CD1-CB 4Å; F256-R261 PolarHBondContact O-N 2.96Å; F256-R261 VanDerWaalsContact O-N 3.13Å; F256-E264 HydrophobicContact CD1-CB 3.83Å; F256-E264 HydrophobicContact CD2-CB 4.36Å; F256-E264 HydrophobicContact CE1-CB 3.56Å; F256-E264 HydrophobicContact CE1-CG 4.17Å; F256-E264 HydrophobicContact CE2-CB 4.14Å; F256-E264 HydrophobicContact CG-CB 4.22Å; F256-E264 HydrophobicContact CZ-CB 3.72Å; F256-E264 HydrophobicContact CZ-CG 4.42Å; F256-A265 HydrophobicContact CB-CB 3.72Å; F256-L268 HydrophobicContact CD2-CD1 4.29Å; F256-L268 HydrophobicContact CD2-CD2 4.07Å; F256-L268 HydrophobicContact CE2-CD1 3.73Å; F256-L268 HydrophobicContact CE2-CD2 3.83Å; F256-L268 HydrophobicContact CE2-CG 4.4Å
257	R	65.3	Low	63.8	Low	68 Å²	68	33.2 Å²	33.2	26%	0.257	16%	0.161	S	C	.	.	H	α-helix	trans	-58.2	-43.8	172.2	-78.2	-174	-176.6	-164.4	6.1	110.8	L253 G254 V255 S260 L277 D280 I281	L253-R257 HydrophobicContact CD2-CG 4.13Å; L253-R257 WeakPolarHBondContact O-CG 3.46Å; L253-R257 PolarHBondContact O-N 3.35Å; G254-R257 PolarHBondContact O-N 3.04Å; V255-R257 PolarHBondContact O-N 3.43Å; R257-S260 PolarHBondContact O-N 3.15Å; R257-L277 PolarHBondContact NH2-O 2.93Å; R257-D280 IonicContact CZ-OD2 3.28Å; R257-D280 IonicContact NH1-OD2 3.88Å; R257-D280 PolarHBondContact NH1-OD2 3.39Å; R257-D280 IonicContact NH2-OD2 2.64Å; R257-D280 PolarHBondContact NH2-OD2 3.18Å; R257-I281 HydrophobicContact CG-CG1 4.25Å
258	K	63.9	Low	63.8	Low	114 Å²	114	31.2 Å²	31.2	50%	0.496	14%	0.144	S	C	.	.	H	α-helix	trans	-67.5	-38	178.8	-68.9	-179.5	-168.6	-173.8	0	113.2	E218 G254 V255 F256 S260	E218-K258 HydrophobicContact CB-CD 4.22Å; E218-K258 VanDerWaalsContact O-CD 3.23Å; E218-K258 WeakPolarHBondContact O-CD 3.45Å; E218-K258 PolarHBondContact O-NZ 3.22Å; E218-K258 WeakPolarHBondContact OE2-CE 3.29Å; E218-K258 IonicContact OE2-NZ 2.63Å; E218-K258 PolarHBondContact OE2-NZ 2.87Å; G254-K258 WeakPolarHBondContact O-CG 3.24Å; G254-K258 PolarHBondContact O-N 2.91Å; G254-K258 VanDerWaalsContact O-N 3.12Å; V255-K258 PolarHBondContact O-N 3.28Å; V255-K258 VanDerWaalsContact O-N 3.14Å; F256-K258 VanDerWaalsContact C-N 3.33Å; F256-K258 PolarHBondContact O-N 3.12Å; K258-S260 PolarHBondContact O-N 3.2Å
259	F	58.3	Low	63.7	Low	54 Å²	54	31 Å²	31	24%	0.237	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	9	175.1	-69.1	-68.5	0	0	0	114.7	I221 Y226 V255 F256 R261	I221-F259 HydrophobicContact CB-CE2 3.9Å; I221-F259 HydrophobicContact CB-CZ 3.88Å; I221-F259 HydrophobicContact CG2-CE2 3.55Å; I221-F259 HydrophobicContact CG2-CZ 3.57Å; I221-F259 WeakPolarHBondContact O-CZ 3.43Å; Y226-F259 AromaticContact CD1-CD1 3.66Å; Y226-F259 HydrophobicContact CD1-CD1 3.66Å; Y226-F259 HydrophobicContact CD1-CD2 4.21Å; Y226-F259 AromaticContact CD1-CE1 3.92Å; Y226-F259 HydrophobicContact CD1-CE1 3.92Å; Y226-F259 HydrophobicContact CD1-CE2 4.45Å; Y226-F259 AromaticContact CD1-CG 3.84Å; Y226-F259 HydrophobicContact CD1-CG 3.84Å; Y226-F259 HydrophobicContact CD1-CZ 4.32Å; Y226-F259 HydrophobicContact CE1-CD1 4.15Å; Y226-F259 HydrophobicContact CE1-CG 4.44Å; Y226-F259 HydrophobicContact CG-CD1 4.25Å; Y226-F259 AromaticContact CG-CD2 3.98Å; Y226-F259 HydrophobicContact CG-CD2 3.98Å; Y226-F259 HydrophobicContact CG-CE2 4.32Å; Y226-F259 AromaticContact CG-CG 3.97Å; Y226-F259 HydrophobicContact CG-CG 3.97Å; V255-F259 HydrophobicContact CG1-CD2 3.86Å; V255-F259 HydrophobicContact CG1-CE2 3.92Å; V255-F259 VanDerWaalsContact O-CD2 3.26Å; V255-F259 WeakPolarHBondContact O-CD2 3.38Å; V255-F259 PolarHBondContact O-N 3.34Å; V255-F259 VanDerWaalsContact O-N 3.09Å; F256-F259 PolarHBondContact O-N 3.1Å; F259-R261 PolarHBondContact O-N 2.99Å; F259-R261 VanDerWaalsContact O-N 3.09Å
260	S	59.2	Low	63.5	Low	80 Å²	80	30.9 Å²	30.9	56%	0.559	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.2	25.4	178.9	-55.9	0	0	0	0	114.3	F256 R257 K258 F262	F256-S260 PolarHBondContact O-N 3.18Å; R257-S260 PolarHBondContact O-N 3.15Å; K258-S260 PolarHBondContact O-N 3.2Å; S260-F262 WeakPolarHBondContact O-CD2 3.31Å; S260-F262 WeakPolarHBondContact O-CE2 3.35Å; S260-F262 PolarHBondContact O-N 3.34Å
261	R	62.6	Low	62.9	Low	83 Å²	83	28.6 Å²	28.6	31%	0.313	14%	0.137	S	C	.	.			trans	-92.9	70.5	176.8	-83.6	-170	176.9	-119.7	8.6	110.2	Y226 F256 F259 E264 A265	Y226-R261 PolarHBondContact OH-NE 3.45Å; Y226-R261 VanDerWaalsContact OH-NE 3.16Å; Y226-R261 PolarHBondContact OH-NH2 2.98Å; F256-R261 HydrophobicContact CD1-CB 4Å; F256-R261 PolarHBondContact O-N 2.96Å; F256-R261 VanDerWaalsContact O-N 3.13Å; F259-R261 PolarHBondContact O-N 2.99Å; F259-R261 VanDerWaalsContact O-N 3.09Å; R261-E264 WeakPolarHBondContact CD-OE1 3.11Å; R261-E264 IonicContact CZ-OE1 3.77Å; R261-E264 IonicContact NE-OE1 3.6Å; R261-E264 IonicContact NH1-OE1 2.99Å; R261-E264 PolarHBondContact NH1-OE1 3.39Å; R261-E264 PolarHBondContact O-N 3.04Å; R261-A265 WeakPolarHBondContact O-CB 3.37Å; R261-A265 PolarHBondContact O-N 2.85Å
262	F	63.7	Low	62.9	Low	31 Å²	31	29.4 Å²	29.4	14%	0.136	14%	0.141	C	C	.	.	H	α-helix	trans	-63.6	-35	-174.8	-54.8	-78.7	0	0	0	115	S260 E264 A265 L266 I281 C285 V290 M294	S260-F262 WeakPolarHBondContact O-CD2 3.31Å; S260-F262 WeakPolarHBondContact O-CE2 3.35Å; S260-F262 PolarHBondContact O-N 3.34Å; F262-E264 PolarHBondContact O-N 3.43Å; F262-A265 PolarHBondContact O-N 3.01Å; F262-L266 VanDerWaalsContact O-CB 3.24Å; F262-L266 WeakPolarHBondContact O-CB 3.33Å; F262-L266 PolarHBondContact O-N 3.31Å; F262-I281 HydrophobicContact CD1-CG2 4.49Å; F262-C285 WeakPolarHBondContact CB-SG 3.3Å; F262-C285 VanDerWaalsContact CD1-SG 3.55Å; F262-C285 WeakPolarHBondContact CG-SG 3.16Å; F262-V290 HydrophobicContact CB-CG1 4.17Å; F262-M294 HydrophobicContact CB-CE 4.33Å; F262-M294 HydrophobicContact CB-SD 3.63Å
263	P	60.2	Low	62.7	Low	9 Å²	9	31 Å²	31	6%	0.058	15%	0.149	C	C	.	.	H	α-helix	trans	-62.7	-41.8	175.6	-24.4	35.8	0	0	0	113.2	R267 V290 M297	P263-R267 PolarHBondContact O-N 3.24Å; P263-R267 VanDerWaalsContact O-N 3.14Å; P263-V290 HydrophobicContact CG-CG1 4.02Å; P263-M297 HydrophobicContact CB-CE 4.27Å
264	E	63.4	Low	62.5	Low	28 Å²	28	33 Å²	33	13%	0.131	16%	0.16	C	C	.	.	H	α-helix	trans	-72.3	-39.6	174.4	-61.9	97.4	134.2	0	0	112.2	F256 R261 F262 L266 R267 L268 P892	F256-E264 HydrophobicContact CD1-CB 3.83Å; F256-E264 HydrophobicContact CD2-CB 4.36Å; F256-E264 HydrophobicContact CE1-CB 3.56Å; F256-E264 HydrophobicContact CE1-CG 4.17Å; F256-E264 HydrophobicContact CE2-CB 4.14Å; F256-E264 HydrophobicContact CG-CB 4.22Å; F256-E264 HydrophobicContact CZ-CB 3.72Å; F256-E264 HydrophobicContact CZ-CG 4.42Å; R261-E264 WeakPolarHBondContact CD-OE1 3.11Å; R261-E264 IonicContact CZ-OE1 3.77Å; R261-E264 IonicContact NE-OE1 3.6Å; R261-E264 IonicContact NH1-OE1 2.99Å; R261-E264 PolarHBondContact NH1-OE1 3.39Å; R261-E264 PolarHBondContact O-N 3.04Å; F262-E264 PolarHBondContact O-N 3.43Å; E264-L266 VanDerWaalsContact C-N 3.29Å; E264-L266 PolarHBondContact O-N 2.83Å; E264-R267 WeakPolarHBondContact O-CB 3.08Å; E264-R267 PolarHBondContact O-N 3.41Å; E264-L268 VanDerWaalsContact O-CD1 3.31Å; E264-L268 WeakPolarHBondContact O-CD1 3.37Å; E264-L268 PolarHBondContact O-N 2.86Å; E264-L268 VanDerWaalsContact O-N 3.12Å; E264-P892 HydrophobicContact CG-CG 4.48Å
265	A	62.6	Low	62.3	Low	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-57.8	-43.2	173	0	0	0	0	0	111.8	F256 R261 F262 L268 A269 I281	F256-A265 HydrophobicContact CB-CB 3.72Å; R261-A265 WeakPolarHBondContact O-CB 3.37Å; R261-A265 PolarHBondContact O-N 2.85Å; F262-A265 PolarHBondContact O-N 3.01Å; A265-L268 PolarHBondContact O-N 3.19Å; A265-A269 PolarHBondContact O-N 3.32Å; A265-I281 HydrophobicContact CB-CD1 3.96Å; A265-I281 HydrophobicContact CB-CG2 4.4Å
266	L	62.5	Low	62.3	Low	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-63.9	-44.2	178.4	-171.2	72	0	0	0	111.4	F262 E264 L268 A269 L270 V278 I281 M294 M297 L298	F262-L266 VanDerWaalsContact O-CB 3.24Å; F262-L266 WeakPolarHBondContact O-CB 3.33Å; F262-L266 PolarHBondContact O-N 3.31Å; E264-L266 VanDerWaalsContact C-N 3.29Å; E264-L266 PolarHBondContact O-N 2.83Å; L266-L268 VanDerWaalsContact C-N 3.31Å; L266-L268 PolarHBondContact O-N 2.9Å; L266-A269 PolarHBondContact O-N 2.85Å; L266-L270 HydrophobicContact CG-CD1 4.26Å; L266-L270 VanDerWaalsContact O-CG 3.28Å; L266-L270 WeakPolarHBondContact O-CG 3.31Å; L266-L270 PolarHBondContact O-N 3.39Å; L266-V278 HydrophobicContact CD1-CG1 3.55Å; L266-I281 HydrophobicContact CB-CG2 4.22Å; L266-I281 HydrophobicContact CD1-CG2 4.11Å; L266-M294 HydrophobicContact CB-CE 4.39Å; L266-M294 HydrophobicContact CD1-CE 4.15Å; L266-M294 HydrophobicContact CD2-CB 3.75Å; L266-M294 HydrophobicContact CD2-CE 4.06Å; L266-M294 HydrophobicContact CD2-CG 3.77Å; L266-M294 HydrophobicContact CG-CE 4.45Å; L266-M297 HydrophobicContact CD2-CB 4.38Å; L266-M297 HydrophobicContact CD2-SD 4.08Å; L266-L298 HydrophobicContact CD1-CD2 4.28Å; L266-L298 HydrophobicContact CD2-CD2 4.25Å; L266-L298 HydrophobicContact CD2-CG 4.15Å
267	R	62.3	Low	62.3	Low	29 Å²	29	45.2 Å²	45.2	11%	0.109	22%	0.216	C	C	.	.	H	α-helix	trans	-54.1	-46.5	173.1	171.1	-178.2	173	135.5	-13.4	111.3	P263 E264 L270 M271 S783 Q786 L787	P263-R267 PolarHBondContact O-N 3.24Å; P263-R267 VanDerWaalsContact O-N 3.14Å; E264-R267 WeakPolarHBondContact O-CB 3.08Å; E264-R267 PolarHBondContact O-N 3.41Å; R267-L270 PolarHBondContact O-N 2.86Å; R267-M271 HydrophobicContact CG-SD 4.37Å; R267-M271 VanDerWaalsContact O-CG 3.31Å; R267-M271 WeakPolarHBondContact O-CG 3.3Å; R267-M271 PolarHBondContact O-N 3.37Å; R267-S783 VanDerWaalsContact CZ-O 3.31Å; R267-S783 PolarHBondContact NH1-O 3.07Å; R267-S783 PolarHBondContact NH2-O 3.25Å; R267-Q786 VanDerWaalsContact NH2-CD 3.28Å; R267-L787 HydrophobicContact CG-CD1 4.31Å; R267-L787 HydrophobicContact CG-CD2 4.09Å; R267-L787 HydrophobicContact CG-CG 4.17Å; R267-L787 WeakPolarHBondContact O-CD2 3.24Å
268	L	63.8	Low	62.2	Low	3 Å²	3	42 Å²	42	2%	0.016	20%	0.204	C	C	.	.	H	α-helix	trans	-71	-33.3	178.5	-85.3	74.7	0	0	0	112.9	L249 A252 L253 F256 E264 A265 L266 L270 M271 L272	L249-L268 HydrophobicContact CD2-CB 4.39Å; L249-L268 HydrophobicContact CD2-CD2 3.97Å; L249-L268 HydrophobicContact CD2-CG 3.9Å; A252-L268 HydrophobicContact CB-CD2 3.34Å; L253-L268 HydrophobicContact CB-CB 4.46Å; F256-L268 HydrophobicContact CD2-CD1 4.29Å; F256-L268 HydrophobicContact CD2-CD2 4.07Å; F256-L268 HydrophobicContact CE2-CD1 3.73Å; F256-L268 HydrophobicContact CE2-CD2 3.83Å; F256-L268 HydrophobicContact CE2-CG 4.4Å; E264-L268 VanDerWaalsContact O-CD1 3.31Å; E264-L268 WeakPolarHBondContact O-CD1 3.37Å; E264-L268 PolarHBondContact O-N 2.86Å; E264-L268 VanDerWaalsContact O-N 3.12Å; A265-L268 PolarHBondContact O-N 3.19Å; L266-L268 VanDerWaalsContact C-N 3.31Å; L266-L268 PolarHBondContact O-N 2.9Å; L268-L270 VanDerWaalsContact C-N 3.33Å; L268-M271 HydrophobicContact CD1-SD 4.48Å; L268-M271 HydrophobicContact CG-SD 4.3Å; L268-M271 WeakPolarHBondContact O-CB 3.46Å; L268-M271 PolarHBondContact O-N 2.75Å; L268-L272 PolarHBondContact O-N 2.86Å
269	A	63.2	Low	62.2	Low	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-65	-36.3	172.1	0	0	0	0	0	112.4	L253 A265 L266 L272 N273 V278 I281	L253-A269 HydrophobicContact CD1-CB 3.72Å; A265-A269 PolarHBondContact O-N 3.32Å; L266-A269 PolarHBondContact O-N 2.85Å; A269-L272 PolarHBondContact O-N 3.27Å; A269-N273 PolarHBondContact O-N 2.88Å; A269-V278 HydrophobicContact CB-CG2 3.86Å; A269-I281 HydrophobicContact CB-CD1 3.77Å
270	L	63	Low	62.6	Low	9 Å²	9	42.4 Å²	42.4	5%	0.047	21%	0.211	C	C	.	.	H	α-helix	trans	-70	-31.6	173.6	-67.7	172.3	0	0	0	112.6	L266 R267 L268 N273 V278 M297 L298 V303 L787	L266-L270 HydrophobicContact CG-CD1 4.26Å; L266-L270 VanDerWaalsContact O-CG 3.28Å; L266-L270 WeakPolarHBondContact O-CG 3.31Å; L266-L270 PolarHBondContact O-N 3.39Å; R267-L270 PolarHBondContact O-N 2.86Å; L268-L270 VanDerWaalsContact C-N 3.33Å; L270-N273 PolarHBondContact O-N 2.91Å; L270-V278 HydrophobicContact CD2-CG1 4.41Å; L270-V278 HydrophobicContact CD2-CG2 4.25Å; L270-M297 HydrophobicContact CD1-SD 4.44Å; L270-L298 HydrophobicContact CD1-CD2 4.28Å; L270-L298 HydrophobicContact CD2-CD2 3.97Å; L270-V303 HydrophobicContact CD2-CG2 3.65Å; L270-L787 HydrophobicContact CB-CD2 3.83Å; L270-L787 HydrophobicContact CD1-CD1 4.31Å
271	M	58.2	Low	62.9	Low	56 Å²	56	38.6 Å²	38.6	28%	0.276	19%	0.185	S	C	.	.	H	α-helix	trans	-66.9	-37.6	170.3	-65.6	167.3	97.2	0	0	111.8	L249 R267 L268 Q786 L787	L249-M271 HydrophobicContact CD2-CB 4.36Å; L249-M271 HydrophobicContact CD2-SD 4.32Å; R267-M271 HydrophobicContact CG-SD 4.37Å; R267-M271 VanDerWaalsContact O-CG 3.31Å; R267-M271 WeakPolarHBondContact O-CG 3.3Å; R267-M271 PolarHBondContact O-N 3.37Å; L268-M271 HydrophobicContact CD1-SD 4.48Å; L268-M271 HydrophobicContact CG-SD 4.3Å; L268-M271 WeakPolarHBondContact O-CB 3.46Å; L268-M271 PolarHBondContact O-N 2.75Å; M271-Q786 HydrophobicContact CE-CB 3.85Å; M271-Q786 HydrophobicContact CE-CG 4.12Å; M271-L787 HydrophobicContact CG-CD2 3.8Å
272	L	62.4	Low	62.7	Low	20 Å²	20	35 Å²	35	11%	0.105	17%	0.171	C	C	.	.	H	α-helix	trans	-73	-24.1	175.1	-74.9	164.4	0	0	0	113.7	L249 R250 L253 L268 A269 D274 L277	L249-L272 HydrophobicContact CB-CD1 4.08Å; L249-L272 HydrophobicContact CB-CD2 3.69Å; L249-L272 HydrophobicContact CB-CG 3.86Å; L249-L272 HydrophobicContact CD1-CD2 4.17Å; L249-L272 HydrophobicContact CD1-CG 4.43Å; R250-L272 HydrophobicContact CB-CD1 4.5Å; R250-L272 HydrophobicContact CG-CD1 3.56Å; R250-L272 HydrophobicContact CG-CD2 4.06Å; R250-L272 HydrophobicContact CG-CG 4.48Å; L253-L272 HydrophobicContact CD1-CD1 3.86Å; L268-L272 PolarHBondContact O-N 2.86Å; A269-L272 PolarHBondContact O-N 3.27Å; L272-D274 HydrophobicContact CB-CB 4.47Å; L272-D274 PolarHBondContact O-N 3.08Å; L272-L277 HydrophobicContact CD1-CD1 4.38Å
273	N	60.6	Low	62.9	Low	34 Å²	34	38 Å²	38	18%	0.182	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	31.8	-178.2	-168.4	17.8	0	0	0	113.5	A269 L270 G528 K569	A269-N273 PolarHBondContact O-N 2.88Å; L270-N273 PolarHBondContact O-N 2.91Å; N273-G528 PolarHBondContact ND2-O 3.48Å; N273-K569 VanDerWaalsContact ND2-CE 3.3Å; N273-K569 WeakPolarHBondContact ND2-CE 3.09Å; N273-K569 PolarHBondContact ND2-NZ 3.24Å; N273-K569 WeakPolarHBondContact O-CE 3.23Å; N273-K569 PolarHBondContact O-NZ 2.69Å
274	D	62.5	Low	63.1	Low	49 Å²	49	40.2 Å²	40.2	26%	0.262	21%	0.208	S	C	.	.			trans	-97.5	93.8	175.3	-81	-26.9	0	0	0	109.1	R250 L272 E276 L277 V278	R250-D274 IonicContact CZ-OD2 3.32Å; R250-D274 IonicContact NE-OD2 3.76Å; R250-D274 PolarHBondContact NE-OD2 2.68Å; R250-D274 IonicContact NH2-OD1 2.73Å; R250-D274 IonicContact NH2-OD2 2.75Å; R250-D274 PolarHBondContact NH2-OD2 2.86Å; L272-D274 HydrophobicContact CB-CB 4.47Å; L272-D274 PolarHBondContact O-N 3.08Å; D274-E276 VanDerWaalsContact C-N 3.3Å; D274-E276 PolarHBondContact O-N 3.33Å; D274-L277 HydrophobicContact CB-CB 4.16Å; D274-L277 HydrophobicContact CB-CD1 3.82Å; D274-L277 HydrophobicContact CB-CG 3.98Å; D274-L277 WeakPolarHBondContact O-CB 3.26Å; D274-L277 PolarHBondContact O-N 2.86Å; D274-V278 PolarHBondContact O-N 3.37Å
275	M	60.2	Low	62.9	Low	75 Å²	75	39.1 Å²	39.1	37%	0.369	20%	0.204	S	C	.	.	H	α-helix	trans	-56.7	-38.5	-173	-67.2	-66.9	98.7	0	0	113.7	L277 V278 E279 V303	M275-L277 VanDerWaalsContact C-N 3.27Å; M275-L277 PolarHBondContact O-N 3.26Å; M275-V278 HydrophobicContact CE-CG2 4.22Å; M275-V278 WeakPolarHBondContact O-CB 3.24Å; M275-V278 PolarHBondContact O-N 2.9Å; M275-E279 PolarHBondContact O-N 3.1Å; M275-V303 HydrophobicContact CE-CG1 4.41Å
276	E	64.8	Low	62.6	Low	165 Å²	165	48.7 Å²	48.7	77%	0.771	25%	0.245	S	C	*	.	H	α-helix	trans	-57.9	-38.9	176	-60.9	-179.2	176.2	0	0	111.8	D274 V278 E279 D280	D274-E276 VanDerWaalsContact C-N 3.3Å; D274-E276 PolarHBondContact O-N 3.33Å; E276-V278 VanDerWaalsContact C-N 3.34Å; E276-V278 PolarHBondContact O-N 3.38Å; E276-E279 PolarHBondContact O-N 3.46Å; E276-D280 WeakPolarHBondContact O-CB 3.31Å; E276-D280 PolarHBondContact O-N 3.03Å
277	L	65.5	Low	62.6	Low	42 Å²	42	51.5 Å²	51.5	22%	0.22	26%	0.26	C	S	.	.	H	α-helix	trans	-71.9	-28.1	177.9	-65.2	-178.9	0	0	0	112.6	R250 L253 R257 L272 D274 M275 I281	R250-L277 HydrophobicContact CG-CD1 4.48Å; L253-L277 HydrophobicContact CD1-CB 4.44Å; L253-L277 HydrophobicContact CD1-CD1 4.21Å; R257-L277 PolarHBondContact NH2-O 2.93Å; L272-L277 HydrophobicContact CD1-CD1 4.38Å; D274-L277 HydrophobicContact CB-CB 4.16Å; D274-L277 HydrophobicContact CB-CD1 3.82Å; D274-L277 HydrophobicContact CB-CG 3.98Å; D274-L277 WeakPolarHBondContact O-CB 3.26Å; D274-L277 PolarHBondContact O-N 2.86Å; M275-L277 VanDerWaalsContact C-N 3.27Å; M275-L277 PolarHBondContact O-N 3.26Å; L277-I281 WeakPolarHBondContact O-CB 3.41Å; L277-I281 VanDerWaalsContact O-CD1 3.27Å; L277-I281 WeakPolarHBondContact O-CD1 3.28Å; L277-I281 WeakPolarHBondContact O-CG1 3.27Å; L277-I281 PolarHBondContact O-N 2.89Å
278	V	63.4	Low	62.7	Low	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-71.7	-45.4	174.4	-173.7	0	0	0	0	110	L266 A269 L270 D274 M275 E276 I281 F282 L298 L305	L266-V278 HydrophobicContact CD1-CG1 3.55Å; A269-V278 HydrophobicContact CB-CG2 3.86Å; L270-V278 HydrophobicContact CD2-CG1 4.41Å; L270-V278 HydrophobicContact CD2-CG2 4.25Å; D274-V278 PolarHBondContact O-N 3.37Å; M275-V278 HydrophobicContact CE-CG2 4.22Å; M275-V278 WeakPolarHBondContact O-CB 3.24Å; M275-V278 PolarHBondContact O-N 2.9Å; E276-V278 VanDerWaalsContact C-N 3.34Å; E276-V278 PolarHBondContact O-N 3.38Å; V278-I281 PolarHBondContact O-N 3.33Å; V278-F282 PolarHBondContact O-N 3.42Å; V278-L298 HydrophobicContact CG1-CD2 3.84Å; V278-L305 HydrophobicContact CB-CD1 4.46Å; V278-L305 HydrophobicContact CG1-CD1 3.86Å; V278-L305 HydrophobicContact CG1-CG 4.4Å
279	E	63.2	Low	62.7	Low	99 Å²	99	53.6 Å²	53.6	46%	0.463	28%	0.276	S	S	.	.	H	α-helix	trans	-64.4	-45.1	177.8	-169.2	-176.6	160.4	0	0	112.2	M275 E276 I281 F282 T283 L305	M275-E279 PolarHBondContact O-N 3.1Å; E276-E279 PolarHBondContact O-N 3.46Å; E279-I281 VanDerWaalsContact C-N 3.3Å; E279-I281 PolarHBondContact O-N 3.13Å; E279-F282 PolarHBondContact O-N 3.49Å; E279-T283 WeakPolarHBondContact O-CB 3.34Å; E279-T283 PolarHBondContact O-N 2.92Å; E279-T283 PolarHBondContact O-OG1 2.86Å; E279-L305 HydrophobicContact CB-CD1 4.27Å; E279-L305 HydrophobicContact CB-CD2 4.22Å
280	D	67.4	Low	62.8	Low	79 Å²	79	54.4 Å²	54.4	42%	0.422	28%	0.281	S	S	.	.	H	α-helix	trans	-51.1	-48.2	170.3	-112.6	6.4	0	0	0	111.8	R257 E276 T283 S284	R257-D280 IonicContact CZ-OD2 3.28Å; R257-D280 IonicContact NH1-OD2 3.88Å; R257-D280 PolarHBondContact NH1-OD2 3.39Å; R257-D280 IonicContact NH2-OD2 2.64Å; R257-D280 PolarHBondContact NH2-OD2 3.18Å; E276-D280 WeakPolarHBondContact O-CB 3.31Å; E276-D280 PolarHBondContact O-N 3.03Å; D280-T283 PolarHBondContact O-N 3.34Å; D280-S284 WeakPolarHBondContact O-CB 3.5Å; D280-S284 PolarHBondContact O-N 3.25Å; D280-S284 PolarHBondContact O-OG 3.05Å
281	I	65	Low	62.9	Low	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-68.8	-39.8	-176.1	-77.6	166.8	0	0	0	110.4	L253 R257 F262 A265 L266 A269 L277 V278 E279 S284 C285 M294	L253-I281 HydrophobicContact CD1-CD1 4.02Å; L253-I281 HydrophobicContact CD2-CD1 4.08Å; L253-I281 HydrophobicContact CG-CD1 3.93Å; R257-I281 HydrophobicContact CG-CG1 4.25Å; F262-I281 HydrophobicContact CD1-CG2 4.49Å; A265-I281 HydrophobicContact CB-CD1 3.96Å; A265-I281 HydrophobicContact CB-CG2 4.4Å; L266-I281 HydrophobicContact CB-CG2 4.22Å; L266-I281 HydrophobicContact CD1-CG2 4.11Å; A269-I281 HydrophobicContact CB-CD1 3.77Å; L277-I281 WeakPolarHBondContact O-CB 3.41Å; L277-I281 VanDerWaalsContact O-CD1 3.27Å; L277-I281 WeakPolarHBondContact O-CD1 3.28Å; L277-I281 WeakPolarHBondContact O-CG1 3.27Å; L277-I281 PolarHBondContact O-N 2.89Å; V278-I281 PolarHBondContact O-N 3.33Å; E279-I281 VanDerWaalsContact C-N 3.3Å; E279-I281 PolarHBondContact O-N 3.13Å; I281-S284 PolarHBondContact O-N 3.36Å; I281-C285 PolarHBondContact O-N 3.44Å; I281-C285 PolarHBondContact O-SG 3.26Å; I281-M294 HydrophobicContact CG2-CE 3.75Å
282	F	59.4	Low	63.2	Low	7 Å²	7	52.8 Å²	52.8	3%	0.031	27%	0.272	C	S	.	.	H	α-helix	trans	-64.6	-46.7	175.9	-154	-74.7	0	0	0	111.4	V278 E279 S284 C285 Q291 M294 A295 L298 L305 L307 L317	V278-F282 PolarHBondContact O-N 3.42Å; E279-F282 PolarHBondContact O-N 3.49Å; F282-S284 VanDerWaalsContact C-N 3.31Å; F282-S284 PolarHBondContact O-N 3.07Å; F282-C285 WeakPolarHBondContact O-CB 3.43Å; F282-C285 PolarHBondContact O-N 3.47Å; F282-Q291 HydrophobicContact CE1-CB 4.28Å; F282-Q291 HydrophobicContact CE1-CG 4.26Å; F282-Q291 HydrophobicContact CZ-CB 4.18Å; F282-M294 HydrophobicContact CB-CE 4.46Å; F282-M294 HydrophobicContact CD2-CB 4.27Å; F282-M294 HydrophobicContact CD2-CE 4.01Å; F282-M294 HydrophobicContact CE2-CB 3.92Å; F282-M294 HydrophobicContact CG-CE 4.44Å; F282-A295 HydrophobicContact CZ-CB 4.47Å; F282-L298 HydrophobicContact CD2-CD1 3.7Å; F282-L298 HydrophobicContact CE2-CD1 3.84Å; F282-L305 HydrophobicContact CB-CD1 4.18Å; F282-L307 HydrophobicContact CD1-CD1 4.28Å; F282-L307 HydrophobicContact CD1-CD2 3.95Å; F282-L307 HydrophobicContact CD1-CG 4.44Å; F282-L307 HydrophobicContact CE1-CD1 4.37Å; F282-L307 HydrophobicContact CE1-CD2 3.67Å; F282-L317 HydrophobicContact CE1-CD2 3.92Å; F282-L317 HydrophobicContact CZ-CD2 4.09Å
283	T	67.4	Low	63	Low	93 Å²	93	52.4 Å²	52.4	57%	0.571	27%	0.27	S	S	*	.	H	α-helix	trans	-68.4	-28.1	179.3	-52.8	0	0	0	0	112.7	E279 D280 C285	E279-T283 WeakPolarHBondContact O-CB 3.34Å; E279-T283 PolarHBondContact O-N 2.92Å; E279-T283 PolarHBondContact O-OG1 2.86Å; D280-T283 PolarHBondContact O-N 3.34Å; T283-C285 VanDerWaalsContact C-N 3.27Å; T283-C285 PolarHBondContact O-N 3.47Å
284	S	65.1	Low	63	Low	57 Å²	57	50.8 Å²	50.8	40%	0.399	26%	0.261	S	S	.	.	H	α-helix	trans	-72	-18.3	175	-65.1	0	0	0	0	113.5	D280 I281 F282	D280-S284 WeakPolarHBondContact O-CB 3.5Å; D280-S284 PolarHBondContact O-N 3.25Å; D280-S284 PolarHBondContact O-OG 3.05Å; I281-S284 PolarHBondContact O-N 3.36Å; F282-S284 VanDerWaalsContact C-N 3.31Å; F282-S284 PolarHBondContact O-N 3.07Å
285	C	57.8	Low	62.9	Low	5 Å²	5	48.6 Å²	48.6	3%	0.034	25%	0.25	C	S	.	.			trans	-75.3	132.8	177.5	-65.9	0	0	0	0	111.3	F262 I281 F282 T283 Q291 M294	F262-C285 WeakPolarHBondContact CB-SG 3.3Å; F262-C285 VanDerWaalsContact CD1-SG 3.55Å; F262-C285 WeakPolarHBondContact CG-SG 3.16Å; I281-C285 PolarHBondContact O-N 3.44Å; I281-C285 PolarHBondContact O-SG 3.26Å; F282-C285 WeakPolarHBondContact O-CB 3.43Å; F282-C285 PolarHBondContact O-N 3.47Å; T283-C285 VanDerWaalsContact C-N 3.27Å; T283-C285 PolarHBondContact O-N 3.47Å; C285-Q291 HydrophobicContact CB-CG 3.62Å; C285-Q291 PolarHBondContact O-NE2 2.91Å; C285-M294 VanDerWaalsContact SG-CE 3.59Å; C285-M294 PolarHBondContact SG-SD 3.11Å
286	K	57.2	Low	63	Low	201 Å²	201	45.5 Å²	45.5	87%	0.874	24%	0.235	S	C	*	.			trans	-117.9	5.3	175.8	-63	-173.4	178.8	-178	0	114
287	D	63	Low	62.7	Low	59 Å²	59	39.3 Å²	39.3	32%	0.316	21%	0.206	S	C	.	.			trans	-113.1	108.6	-179.6	-177.4	-40	0	0	0	108.4	V289 V290 Q291 R901	D287-V289 PolarHBondContact O-N 3.1Å; D287-V289 WeakPolarHBondContact OD1-CB 3.17Å; D287-V289 PolarHBondContact OD1-N 3.46Å; D287-V290 HydrophobicContact CB-CB 4.33Å; D287-V290 HydrophobicContact CB-CG2 3.79Å; D287-V290 WeakPolarHBondContact O-CA 3.4Å; D287-V290 WeakPolarHBondContact O-CB 3.31Å; D287-V290 PolarHBondContact O-N 3.42Å; D287-V290 PolarHBondContact OD1-N 3.17Å; D287-Q291 PolarHBondContact O-N 3.44Å; D287-R901 IonicContact OD1-CZ 3.98Å; D287-R901 IonicContact OD1-NH1 2.96Å; D287-R901 IonicContact OD1-NH2 3.54Å; D287-R901 PolarHBondContact OD1-NH2 3.29Å; D287-R901 IonicContact OD2-CZ 3.92Å; D287-R901 VanDerWaalsContact OD2-CZ 3.24Å; D287-R901 IonicContact OD2-NH1 2.89Å; D287-R901 PolarHBondContact OD2-NH1 3.16Å; D287-R901 IonicContact OD2-NH2 3.44Å; D287-R901 PolarHBondContact OD2-NH2 2.86Å
288	V	63.8	Low	62.5	Low	49 Å²	49	37.3 Å²	37.3	30%	0.297	20%	0.196	S	C	.	.	H	α-helix	trans	-54.3	-34.8	-176	176.3	0	0	0	0	112.2	V290 Q291 K292 E313	V288-V290 VanDerWaalsContact C-N 3.33Å; V288-V290 PolarHBondContact O-N 3.27Å; V288-Q291 PolarHBondContact O-N 3Å; V288-K292 HydrophobicContact CG1-CD 4.17Å; V288-K292 HydrophobicContact CG1-CG 4.42Å; V288-K292 WeakPolarHBondContact O-CB 3.36Å; V288-K292 WeakPolarHBondContact O-CG 3.32Å; V288-K292 PolarHBondContact O-N 2.76Å; V288-E313 WeakPolarHBondContact CG1-OE2 3.35Å
289	V	64.3	Low	62.3	Low	27 Å²	27	37.6 Å²	37.6	16%	0.164	20%	0.198	C	C	.	.	H	α-helix	trans	-73	-29.8	-180	-179.5	0	0	0	0	111.1	D287 Q293 V890 I899 R901	D287-V289 PolarHBondContact O-N 3.1Å; D287-V289 WeakPolarHBondContact OD1-CB 3.17Å; D287-V289 PolarHBondContact OD1-N 3.46Å; V289-Q293 PolarHBondContact O-N 3.49Å; V289-V890 HydrophobicContact CG1-CG2 4.17Å; V289-I899 HydrophobicContact CG1-CB 4.31Å; V289-I899 HydrophobicContact CG1-CG2 3.76Å; V289-R901 HydrophobicContact CG1-CG 4.4Å
290	V	65.1	Low	62	Low	16 Å²	16	35 Å²	35	10%	0.097	18%	0.184	C	C	.	.	H	α-helix	trans	-73.1	-45	171	-170.1	0	0	0	0	110.3	F262 P263 D287 V288 K292 Q293 M294 V890	F262-V290 HydrophobicContact CB-CG1 4.17Å; P263-V290 HydrophobicContact CG-CG1 4.02Å; D287-V290 HydrophobicContact CB-CB 4.33Å; D287-V290 HydrophobicContact CB-CG2 3.79Å; D287-V290 WeakPolarHBondContact O-CA 3.4Å; D287-V290 WeakPolarHBondContact O-CB 3.31Å; D287-V290 PolarHBondContact O-N 3.42Å; D287-V290 PolarHBondContact OD1-N 3.17Å; V288-V290 VanDerWaalsContact C-N 3.33Å; V288-V290 PolarHBondContact O-N 3.27Å; V290-K292 PolarHBondContact O-N 2.89Å; V290-Q293 PolarHBondContact O-N 3.41Å; V290-M294 HydrophobicContact CG1-CG 4.46Å; V290-M294 HydrophobicContact CG1-SD 3.83Å; V290-M294 WeakPolarHBondContact O-CG 3.48Å; V290-M294 PolarHBondContact O-N 2.86Å; V290-V890 HydrophobicContact CG2-CG1 3.89Å
291	Q	63.8	Low	61.4	Low	15 Å²	15	32.2 Å²	32.2	7%	0.07	17%	0.168	C	C	.	.	H	α-helix	trans	-57.9	-44.8	176.4	-70.3	173.5	-37.3	0	0	112	F282 C285 D287 V288 Q293 M294 A295 L317	F282-Q291 HydrophobicContact CE1-CB 4.28Å; F282-Q291 HydrophobicContact CE1-CG 4.26Å; F282-Q291 HydrophobicContact CZ-CB 4.18Å; C285-Q291 HydrophobicContact CB-CG 3.62Å; C285-Q291 PolarHBondContact O-NE2 2.91Å; D287-Q291 PolarHBondContact O-N 3.44Å; V288-Q291 PolarHBondContact O-N 3Å; Q291-Q293 PolarHBondContact O-N 2.69Å; Q291-M294 CarbonylContact O-C 3.51Å; Q291-M294 WeakPolarHBondContact O-CB 3.34Å; Q291-M294 PolarHBondContact O-N 3.48Å; Q291-M294 VanDerWaalsContact O-N 3.12Å; Q291-A295 PolarHBondContact O-N 3.33Å; Q291-L317 HydrophobicContact CB-CD2 4.14Å
292	K	66.1	Low	60.7	Low	16 Å²	16	32.8 Å²	32.8	7%	0.07	18%	0.175	C	C	.	.	H	α-helix	trans	-63.2	-37.7	176.6	-71.9	-176.1	-179.6	-176.3	0	112.3	V288 V290 F296 E313 D316 L317 I320 L837 I899	V288-K292 HydrophobicContact CG1-CD 4.17Å; V288-K292 HydrophobicContact CG1-CG 4.42Å; V288-K292 WeakPolarHBondContact O-CB 3.36Å; V288-K292 WeakPolarHBondContact O-CG 3.32Å; V288-K292 PolarHBondContact O-N 2.76Å; V290-K292 PolarHBondContact O-N 2.89Å; K292-F296 WeakPolarHBondContact O-CD2 3.46Å; K292-F296 PolarHBondContact O-N 2.82Å; K292-F296 VanDerWaalsContact O-N 3.11Å; K292-E313 WeakPolarHBondContact CE-OE2 3.16Å; K292-E313 IonicContact NZ-OE2 3.85Å; K292-E313 PolarHBondContact NZ-OE2 3.42Å; K292-D316 IonicContact NZ-OD2 2.56Å; K292-D316 PolarHBondContact NZ-OD2 2.93Å; K292-L317 HydrophobicContact CD-CD1 4.31Å; K292-L317 HydrophobicContact CG-CD1 3.64Å; K292-I320 HydrophobicContact CB-CD1 4.11Å; K292-I320 HydrophobicContact CD-CD1 3.91Å; K292-I320 HydrophobicContact CG-CD1 3.79Å; K292-L837 HydrophobicContact CD-CD1 4.29Å; K292-L837 HydrophobicContact CD-CD2 4.35Å; K292-I899 HydrophobicContact CB-CD1 3.75Å
293	Q	58.4	Low	60.4	Low	13 Å²	13	33.7 Å²	33.7	6%	0.061	18%	0.181	C	C	.	.	H	α-helix	trans	-65.5	-39.3	170.3	-76.9	-151.1	-7.3	0	0	113.2	V289 V290 Q291 F296 M297 I899	V289-Q293 PolarHBondContact O-N 3.49Å; V290-Q293 PolarHBondContact O-N 3.41Å; Q291-Q293 PolarHBondContact O-N 2.69Å; Q293-F296 PolarHBondContact O-N 2.89Å; Q293-M297 PolarHBondContact O-N 2.97Å; Q293-I899 HydrophobicContact CG-CB 3.95Å; Q293-I899 HydrophobicContact CG-CD1 3.9Å; Q293-I899 HydrophobicContact CG-CG1 3.89Å; Q293-I899 PolarHBondContact NE2-O 3.11Å
294	M	59.8	Low	59.5	Low	0 Å²	0	31 Å²	31	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-66.9	-39.1	177.7	-73.5	170.1	54	0	0	111.6	F262 L266 I281 F282 C285 V290 Q291 M297 L298	F262-M294 HydrophobicContact CB-CE 4.33Å; F262-M294 HydrophobicContact CB-SD 3.63Å; L266-M294 HydrophobicContact CB-CE 4.39Å; L266-M294 HydrophobicContact CD1-CE 4.15Å; L266-M294 HydrophobicContact CD2-CB 3.75Å; L266-M294 HydrophobicContact CD2-CE 4.06Å; L266-M294 HydrophobicContact CD2-CG 3.77Å; L266-M294 HydrophobicContact CG-CE 4.45Å; I281-M294 HydrophobicContact CG2-CE 3.75Å; F282-M294 HydrophobicContact CB-CE 4.46Å; F282-M294 HydrophobicContact CD2-CB 4.27Å; F282-M294 HydrophobicContact CD2-CE 4.01Å; F282-M294 HydrophobicContact CE2-CB 3.92Å; F282-M294 HydrophobicContact CG-CE 4.44Å; C285-M294 VanDerWaalsContact SG-CE 3.59Å; C285-M294 PolarHBondContact SG-SD 3.11Å; V290-M294 HydrophobicContact CG1-CG 4.46Å; V290-M294 HydrophobicContact CG1-SD 3.83Å; V290-M294 WeakPolarHBondContact O-CG 3.48Å; V290-M294 PolarHBondContact O-N 2.86Å; Q291-M294 CarbonylContact O-C 3.51Å; Q291-M294 WeakPolarHBondContact O-CB 3.34Å; Q291-M294 PolarHBondContact O-N 3.48Å; Q291-M294 VanDerWaalsContact O-N 3.12Å; M294-M297 WeakPolarHBondContact O-CB 3.28Å; M294-M297 PolarHBondContact O-N 2.84Å; M294-M297 VanDerWaalsContact O-N 3.07Å; M294-L298 WeakPolarHBondContact O-CG 3.19Å; M294-L298 PolarHBondContact O-N 3.07Å
295	A	60.6	Low	58.9	Low	3 Å²	3	29 Å²	29	3%	0.025	15%	0.146	C	C	.	.	H	α-helix	trans	-60.6	-43.6	171.5	0	0	0	0	0	111.9	F282 Q291 M297 L298 G299 I320	F282-A295 HydrophobicContact CZ-CB 4.47Å; Q291-A295 PolarHBondContact O-N 3.33Å; A295-M297 VanDerWaalsContact C-N 3.29Å; A295-M297 PolarHBondContact O-N 2.87Å; A295-L298 PolarHBondContact O-N 3.37Å; A295-G299 PolarHBondContact O-N 3.35Å; A295-I320 HydrophobicContact CB-CB 4.34Å; A295-I320 HydrophobicContact CB-CG2 3.68Å
296	F	61.7	Low	58.3	Low	10 Å²	10	35.5 Å²	35.5	4%	0.044	18%	0.176	C	C	.	.	H	α-helix	trans	-61.9	-32.3	171	-80.6	-63	0	0	0	113.2	K292 Q293 R300 I320 F833 L837 F897 I899	K292-F296 WeakPolarHBondContact O-CD2 3.46Å; K292-F296 PolarHBondContact O-N 2.82Å; K292-F296 VanDerWaalsContact O-N 3.11Å; Q293-F296 PolarHBondContact O-N 2.89Å; F296-R300 WeakPolarHBondContact O-CB 3.39Å; F296-R300 VanDerWaalsContact O-CG 3.29Å; F296-R300 WeakPolarHBondContact O-CG 3.37Å; F296-R300 PolarHBondContact O-N 3.07Å; F296-I320 HydrophobicContact CB-CG2 4.47Å; F296-I320 HydrophobicContact CD1-CG2 3.75Å; F296-I320 HydrophobicContact CD2-CG2 3.75Å; F296-I320 HydrophobicContact CE1-CG2 3.81Å; F296-I320 HydrophobicContact CE2-CD1 4.3Å; F296-I320 HydrophobicContact CE2-CG1 4.37Å; F296-I320 HydrophobicContact CE2-CG2 3.8Å; F296-I320 HydrophobicContact CG-CG2 3.71Å; F296-I320 HydrophobicContact CZ-CG1 4.14Å; F296-I320 HydrophobicContact CZ-CG2 3.83Å; F296-F833 HydrophobicContact CE1-CE2 4.2Å; F296-F833 HydrophobicContact CE2-CD2 4.17Å; F296-F833 HydrophobicContact CE2-CE2 4.02Å; F296-F833 HydrophobicContact CZ-CD2 4.22Å; F296-F833 AromaticContact CZ-CE2 3.62Å; F296-F833 HydrophobicContact CZ-CE2 3.62Å; F296-F833 HydrophobicContact CZ-CZ 4.48Å; F296-L837 HydrophobicContact CE2-CD2 3.94Å; F296-L837 HydrophobicContact CZ-CD2 4.37Å; F296-F897 HydrophobicContact CB-CB 4.39Å; F296-F897 HydrophobicContact CD1-CB 4.08Å; F296-F897 AromaticContact CD1-CD2 3.75Å; F296-F897 HydrophobicContact CD1-CD2 3.75Å; F296-F897 HydrophobicContact CD1-CE2 4.41Å; F296-F897 AromaticContact CD1-CG 3.98Å; F296-F897 HydrophobicContact CD1-CG 3.98Å; F296-F897 HydrophobicContact CD2-CB 4.37Å; F296-F897 HydrophobicContact CE1-CB 4.46Å; F296-F897 HydrophobicContact CE1-CD2 4.13Å; F296-F897 HydrophobicContact CE1-CG 4.13Å; F296-F897 HydrophobicContact CG-CB 4.05Å; F296-F897 HydrophobicContact CG-CD2 4.45Å; F296-F897 HydrophobicContact CG-CG 4.45Å; F296-I899 HydrophobicContact CE2-CD1 4.48Å
297	M	59.4	Low	57.9	Low	34 Å²	34	27.2 Å²	27.2	17%	0.167	14%	0.141	C	C	.	.	H	α-helix	trans	-71.5	-44.7	175.8	-166.2	-176.3	-61.3	0	0	111.7	P263 L266 L270 Q293 M294 A295 R300 H301	P263-M297 HydrophobicContact CB-CE 4.27Å; L266-M297 HydrophobicContact CD2-CB 4.38Å; L266-M297 HydrophobicContact CD2-SD 4.08Å; L270-M297 HydrophobicContact CD1-SD 4.44Å; Q293-M297 PolarHBondContact O-N 2.97Å; M294-M297 WeakPolarHBondContact O-CB 3.28Å; M294-M297 PolarHBondContact O-N 2.84Å; M294-M297 VanDerWaalsContact O-N 3.07Å; A295-M297 VanDerWaalsContact C-N 3.29Å; A295-M297 PolarHBondContact O-N 2.87Å; M297-R300 PolarHBondContact O-N 2.98Å; M297-H301 WeakPolarHBondContact O-CB 3.17Å; M297-H301 PolarHBondContact O-N 2.73Å
298	L	60.8	Low	56.7	Low	1 Å²	1	27.5 Å²	27.5	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-64.5	-48.2	177.4	-67.2	170.7	0	0	0	111.5	L266 L270 V278 F282 M294 A295 R300 H301 G302 V303 L305	L266-L298 HydrophobicContact CD1-CD2 4.28Å; L266-L298 HydrophobicContact CD2-CD2 4.25Å; L266-L298 HydrophobicContact CD2-CG 4.15Å; L270-L298 HydrophobicContact CD1-CD2 4.28Å; L270-L298 HydrophobicContact CD2-CD2 3.97Å; V278-L298 HydrophobicContact CG1-CD2 3.84Å; F282-L298 HydrophobicContact CD2-CD1 3.7Å; F282-L298 HydrophobicContact CE2-CD1 3.84Å; M294-L298 WeakPolarHBondContact O-CG 3.19Å; M294-L298 PolarHBondContact O-N 3.07Å; A295-L298 PolarHBondContact O-N 3.37Å; L298-R300 VanDerWaalsContact C-N 3.26Å; L298-R300 PolarHBondContact O-N 3.21Å; L298-H301 CarbonylContact O-C 3.59Å; L298-H301 WeakPolarHBondContact O-CA 3.37Å; L298-H301 WeakPolarHBondContact O-CB 3.21Å; L298-H301 PolarHBondContact O-N 3.31Å; L298-G302 PolarHBondContact O-N 3.25Å; L298-V303 HydrophobicContact CB-CG2 4.43Å; L298-V303 HydrophobicContact CD2-CG2 3.57Å; L298-V303 PolarHBondContact O-N 3.26Å; L298-L305 HydrophobicContact CD1-CD1 4.32Å
299	G	58.3	Low	55.8	Low	5 Å²	5	33.8 Å²	33.8	5%	0.052	17%	0.174	C	C	.	.	H	α-helix	trans	-61.4	-29.2	175.4	0	0	0	0	0	113.9	A295 N323	A295-G299 PolarHBondContact O-N 3.35Å; G299-N323 PolarHBondContact O-ND2 3.3Å
300	R	57.4	Low	54.6	Low	45 Å²	45	40.1 Å²	40.1	17%	0.17	21%	0.206	C	C	.	.	H	α-helix	trans	-78.3	-27.2	169.7	-78.9	-175.2	66.3	-151.2	-3.5	114	F296 M297 L298 Q826 E895	F296-R300 WeakPolarHBondContact O-CB 3.39Å; F296-R300 VanDerWaalsContact O-CG 3.29Å; F296-R300 WeakPolarHBondContact O-CG 3.37Å; F296-R300 PolarHBondContact O-N 3.07Å; M297-R300 PolarHBondContact O-N 2.98Å; L298-R300 VanDerWaalsContact C-N 3.26Å; L298-R300 PolarHBondContact O-N 3.21Å; R300-Q826 PolarHBondContact O-NE2 3.22Å; R300-E895 PolarHBondContact NH1-O 2.76Å; R300-E895 VanDerWaalsContact NH1-O 3.1Å; R300-E895 IonicContact NH2-OE2 3.13Å
301	H	54.8	Low	53.7	Low	20 Å²	20	41 Å²	41	9%	0.093	21%	0.212	C	C	.	.	H	α-helix	trans	-81.1	-21.8	176.4	-162.7	-93.3	0	0	0	112.3	M297 L298 V303	M297-H301 WeakPolarHBondContact O-CB 3.17Å; M297-H301 PolarHBondContact O-N 2.73Å; L298-H301 CarbonylContact O-C 3.59Å; L298-H301 WeakPolarHBondContact O-CA 3.37Å; L298-H301 WeakPolarHBondContact O-CB 3.21Å; L298-H301 PolarHBondContact O-N 3.31Å; H301-V303 HydrophobicContact CB-CG2 4.12Å
302	G	51.5	Low	52.7	Low	13 Å²	13	48.4 Å²	48.4	13%	0.134	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.5	11.8	-178.7	0	0	0	0	0	114	L298	L298-G302 PolarHBondContact O-N 3.25Å
303	V	53.2	Low	52	Low	25 Å²	25	52.5 Å²	52.5	15%	0.152	27%	0.266	C	S	.	.			trans	-95.6	132	171.2	-70	0	0	0	0	109.4	L270 M275 L298 H301	L270-V303 HydrophobicContact CD2-CG2 3.65Å; M275-V303 HydrophobicContact CE-CG1 4.41Å; L298-V303 HydrophobicContact CB-CG2 4.43Å; L298-V303 HydrophobicContact CD2-CG2 3.57Å; L298-V303 PolarHBondContact O-N 3.26Å; H301-V303 HydrophobicContact CB-CG2 4.12Å
304	F	47.1	Very low	51.7	Low	37 Å²	37	55 Å²	55	16%	0.162	28%	0.275	C	S	.	.			trans	-115.6	116.8	-177.6	-72.9	-96.8	0	0	0	108.4	M321	F304-M321 HydrophobicContact CB-SD 4.39Å; F304-M321 HydrophobicContact CD1-CE 3.99Å; F304-M321 HydrophobicContact CD1-CG 3.64Å; F304-M321 HydrophobicContact CD1-SD 4.02Å; F304-M321 HydrophobicContact CE1-CG 3.89Å; F304-M321 VanDerWaalsContact CE1-O 3.28Å; F304-M321 WeakPolarHBondContact CE1-O 3.43Å; F304-M321 HydrophobicContact CG-CG 4.49Å
305	L	53.6	Low	51.5	Low	16 Å²	16	62.4 Å²	62.4	8%	0.084	31%	0.31	C	S	.	.			trans	-87.9	122.9	166.9	-70.5	179.2	0	0	0	108.1	V278 E279 F282 L298 L307 M321	V278-L305 HydrophobicContact CB-CD1 4.46Å; V278-L305 HydrophobicContact CG1-CD1 3.86Å; V278-L305 HydrophobicContact CG1-CG 4.4Å; E279-L305 HydrophobicContact CB-CD1 4.27Å; E279-L305 HydrophobicContact CB-CD2 4.22Å; F282-L305 HydrophobicContact CB-CD1 4.18Å; L298-L305 HydrophobicContact CD1-CD1 4.32Å; L305-L307 VanDerWaalsContact C-N 3.29Å; L305-L307 HydrophobicContact CB-CD1 3.81Å; L305-L307 PolarHBondContact O-N 2.95Å; L305-M321 WeakPolarHBondContact O-CE 3.12Å
306	E	44.7	Very low	51.4	Low	141 Å²	141	65.3 Å²	65.3	66%	0.659	33%	0.325	S	S	*	.			trans	-80	84.7	171.5	-156.8	148.8	-113.1	0	0	107.4	R456	E306-R456 IonicContact OE1-CZ 2.62Å; E306-R456 IonicContact OE1-NH1 2.68Å; E306-R456 IonicContact OE1-NH2 2.64Å; E306-R456 PolarHBondContact OE1-NH2 2.92Å
307	L	48.4	Very low	51.2	Low	27 Å²	27	65 Å²	65	14%	0.141	32%	0.324	C	S	.	.			trans	-56.7	157	-178.5	-96.9	73.1	0	0	0	111.7	F282 L305 V311 Y314	F282-L307 HydrophobicContact CD1-CD1 4.28Å; F282-L307 HydrophobicContact CD1-CD2 3.95Å; F282-L307 HydrophobicContact CD1-CG 4.44Å; F282-L307 HydrophobicContact CE1-CD1 4.37Å; F282-L307 HydrophobicContact CE1-CD2 3.67Å; L305-L307 VanDerWaalsContact C-N 3.29Å; L305-L307 HydrophobicContact CB-CD1 3.81Å; L305-L307 PolarHBondContact O-N 2.95Å; L307-V311 HydrophobicContact CD2-CB 4.49Å; L307-V311 HydrophobicContact CD2-CG2 4.17Å; L307-Y314 HydrophobicContact CB-CD2 4.17Å; L307-Y314 HydrophobicContact CB-CE2 3.58Å; L307-Y314 WeakPolarHBondContact O-CE2 3.5Å; L307-Y314 PolarHBondContact O-OH 2.82Å
308	S	37.9	Very low	51.2	Low	64 Å²	64	64.2 Å²	64.2	45%	0.448	32%	0.321	S	S	.	.			trans	-76.5	148.6	166.8	51.5	0	0	0	0	112.1	D310 Y314	S308-D310 PolarHBondContact O-N 3.35Å; S308-Y314 WeakPolarHBondContact O-CD2 3.43Å; S308-Y314 WeakPolarHBondContact O-CE2 3.2Å
309	E	44.4	Very low	51.2	Low	182 Å²	182	68 Å²	68	85%	0.85	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-4.2	-178.9	-58.2	179.4	161.1	0	0	114.3	V311	E309-V311 VanDerWaalsContact C-N 3.32Å; E309-V311 PolarHBondContact O-N 2.8Å
310	D	39.3	Very low	51.2	Low	159 Å²	159	67.9 Å²	67.9	85%	0.85	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	2.5	-175.2	-75.6	-48.3	0	0	0	114.3	S308	S308-D310 PolarHBondContact O-N 3.35Å
311	V	47.2	Very low	51.1	Low	35 Å²	35	66.6 Å²	66.6	21%	0.212	33%	0.333	C	S	.	.	S	Bend	trans	-97.1	127.9	-177.2	-173.3	0	0	0	0	111.6	L307 E309 Y314 L317	L307-V311 HydrophobicContact CD2-CB 4.49Å; L307-V311 HydrophobicContact CD2-CG2 4.17Å; E309-V311 VanDerWaalsContact C-N 3.32Å; E309-V311 PolarHBondContact O-N 2.8Å; V311-Y314 WeakPolarHBondContact O-CB 3.46Å; V311-Y314 PolarHBondContact O-N 2.95Å; V311-L317 HydrophobicContact CG1-CD2 4.28Å
312	E	41.6	Very low	51	Low	171 Å²	171	66 Å²	66	80%	0.799	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	138.7	173.4	-65.4	-174.3	141.8	0	0	110.8	Y314	E312-Y314 VanDerWaalsContact C-N 3.35Å
313	E	52	Low	51.4	Low	101 Å²	101	65.9 Å²	65.9	47%	0.472	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.9	28.4	-171.8	-63.1	-170.9	168.4	0	0	115.7	V288 K292 E315 D316 L317	V288-E313 WeakPolarHBondContact CG1-OE2 3.35Å; K292-E313 WeakPolarHBondContact CE-OE2 3.16Å; K292-E313 IonicContact NZ-OE2 3.85Å; K292-E313 PolarHBondContact NZ-OE2 3.42Å; E313-E315 PolarHBondContact O-N 2.98Å; E313-D316 HydrophobicContact CB-CB 4.09Å; E313-D316 WeakPolarHBondContact O-CB 3.37Å; E313-D316 PolarHBondContact O-N 3.38Å; E313-L317 HydrophobicContact CB-CD1 4.24Å; E313-L317 WeakPolarHBondContact O-CD1 3.35Å; E313-L317 PolarHBondContact O-N 3.31Å
314	Y	52.7	Low	51.7	Low	65 Å²	65	67.5 Å²	67.5	26%	0.255	34%	0.337	S	S	.	.	H	α-helix	trans	-44.2	-52.7	173.8	-174.8	-87.1	0	0	0	114.4	L307 S308 V311 E312 D316 L317 T318	L307-Y314 HydrophobicContact CB-CD2 4.17Å; L307-Y314 HydrophobicContact CB-CE2 3.58Å; L307-Y314 WeakPolarHBondContact O-CE2 3.5Å; L307-Y314 PolarHBondContact O-OH 2.82Å; S308-Y314 WeakPolarHBondContact O-CD2 3.43Å; S308-Y314 WeakPolarHBondContact O-CE2 3.2Å; V311-Y314 WeakPolarHBondContact O-CB 3.46Å; V311-Y314 PolarHBondContact O-N 2.95Å; E312-Y314 VanDerWaalsContact C-N 3.35Å; Y314-D316 PolarHBondContact O-N 3.18Å; Y314-L317 PolarHBondContact O-N 3.23Å; Y314-T318 WeakPolarHBondContact O-CB 3.35Å; Y314-T318 PolarHBondContact O-N 2.81Å; Y314-T318 PolarHBondContact O-OG1 3.45Å
315	E	55.4	Low	52.2	Low	156 Å²	156	68.1 Å²	68.1	73%	0.729	34%	0.34	S	S	*	.	H	α-helix	trans	-61.7	-42.6	-178.3	-67.7	-178.5	-178.4	0	0	112.2	E313 T318 E319	E313-E315 PolarHBondContact O-N 2.98Å; E315-T318 PolarHBondContact O-N 3.18Å; E315-E319 WeakPolarHBondContact O-CB 3.44Å; E315-E319 PolarHBondContact O-N 2.87Å
316	D	57	Low	52.6	Low	64 Å²	64	68 Å²	68	34%	0.342	34%	0.34	S	S	.	.	H	α-helix	trans	-60.4	-46.3	175.5	-110.8	55.9	0	0	0	111.5	K292 E313 Y314 I320	K292-D316 IonicContact NZ-OD2 2.56Å; K292-D316 PolarHBondContact NZ-OD2 2.93Å; E313-D316 HydrophobicContact CB-CB 4.09Å; E313-D316 WeakPolarHBondContact O-CB 3.37Å; E313-D316 PolarHBondContact O-N 3.38Å; Y314-D316 PolarHBondContact O-N 3.18Å; D316-I320 WeakPolarHBondContact O-CB 3.44Å; D316-I320 WeakPolarHBondContact O-CD1 3.47Å; D316-I320 WeakPolarHBondContact O-CG1 3.29Å; D316-I320 PolarHBondContact O-N 3.3Å; D316-I320 VanDerWaalsContact O-N 3.1Å
317	L	58.4	Low	53.3	Low	4 Å²	4	62.7 Å²	62.7	2%	0.021	32%	0.316	C	S	.	.	H	α-helix	trans	-65.7	-39.6	178	-92.3	56.7	0	0	0	111.5	F282 Q291 K292 V311 E313 Y314 M321	F282-L317 HydrophobicContact CE1-CD2 3.92Å; F282-L317 HydrophobicContact CZ-CD2 4.09Å; Q291-L317 HydrophobicContact CB-CD2 4.14Å; K292-L317 HydrophobicContact CD-CD1 4.31Å; K292-L317 HydrophobicContact CG-CD1 3.64Å; V311-L317 HydrophobicContact CG1-CD2 4.28Å; E313-L317 HydrophobicContact CB-CD1 4.24Å; E313-L317 WeakPolarHBondContact O-CD1 3.35Å; E313-L317 PolarHBondContact O-N 3.31Å; Y314-L317 PolarHBondContact O-N 3.23Å; L317-M321 WeakPolarHBondContact O-CB 3.37Å; L317-M321 PolarHBondContact O-N 3.4Å
318	T	59.6	Low	54	Low	18 Å²	18	64.9 Å²	64.9	11%	0.11	33%	0.334	C	S	.	.	H	α-helix	trans	-71.1	-39.7	177.7	-67.2	0	0	0	0	111.9	Y314 E315 I320 M321 S322	Y314-T318 WeakPolarHBondContact O-CB 3.35Å; Y314-T318 PolarHBondContact O-N 2.81Å; Y314-T318 PolarHBondContact O-OG1 3.45Å; E315-T318 PolarHBondContact O-N 3.18Å; T318-I320 VanDerWaalsContact C-N 3.34Å; T318-I320 PolarHBondContact O-N 3.3Å; T318-M321 PolarHBondContact O-N 3.29Å; T318-S322 WeakPolarHBondContact O-CB 3.28Å; T318-S322 PolarHBondContact O-N 3.1Å; T318-S322 PolarHBondContact O-OG 2.93Å
319	E	60.3	Low	55.1	Low	79 Å²	79	62.6 Å²	62.6	37%	0.369	32%	0.317	S	S	.	.	H	α-helix	trans	-62.6	-40.9	174.1	-167	-167.6	129.1	0	0	111.6	E315 S322 N323 V324 Q325	E315-E319 WeakPolarHBondContact O-CB 3.44Å; E315-E319 PolarHBondContact O-N 2.87Å; E319-S322 CarbonylContact O-C 3.37Å; E319-S322 PolarHBondContact O-N 3.37Å; E319-N323 PolarHBondContact O-N 3.08Å; E319-V324 HydrophobicContact CG-CB 3.84Å; E319-V324 HydrophobicContact CG-CG1 4.46Å; E319-V324 HydrophobicContact CG-CG2 3.98Å; E319-V324 PolarHBondContact O-N 3.29Å; E319-Q325 WeakPolarHBondContact OE1-CG 3.28Å; E319-Q325 PolarHBondContact OE1-NE2 3.21Å
320	I	59.3	Low	55.8	Low	3 Å²	3	54.3 Å²	54.3	2%	0.015	28%	0.278	C	S	.	.	H	α-helix	trans	-64.1	-50	174.9	-71.6	166.3	0	0	0	111	K292 A295 F296 D316 T318 S322 N323 L837	K292-I320 HydrophobicContact CB-CD1 4.11Å; K292-I320 HydrophobicContact CD-CD1 3.91Å; K292-I320 HydrophobicContact CG-CD1 3.79Å; A295-I320 HydrophobicContact CB-CB 4.34Å; A295-I320 HydrophobicContact CB-CG2 3.68Å; F296-I320 HydrophobicContact CB-CG2 4.47Å; F296-I320 HydrophobicContact CD1-CG2 3.75Å; F296-I320 HydrophobicContact CD2-CG2 3.75Å; F296-I320 HydrophobicContact CE1-CG2 3.81Å; F296-I320 HydrophobicContact CE2-CD1 4.3Å; F296-I320 HydrophobicContact CE2-CG1 4.37Å; F296-I320 HydrophobicContact CE2-CG2 3.8Å; F296-I320 HydrophobicContact CG-CG2 3.71Å; F296-I320 HydrophobicContact CZ-CG1 4.14Å; F296-I320 HydrophobicContact CZ-CG2 3.83Å; D316-I320 WeakPolarHBondContact O-CB 3.44Å; D316-I320 WeakPolarHBondContact O-CD1 3.47Å; D316-I320 WeakPolarHBondContact O-CG1 3.29Å; D316-I320 PolarHBondContact O-N 3.3Å; D316-I320 VanDerWaalsContact O-N 3.1Å; T318-I320 VanDerWaalsContact C-N 3.34Å; T318-I320 PolarHBondContact O-N 3.3Å; I320-S322 VanDerWaalsContact C-N 3.27Å; I320-S322 PolarHBondContact O-N 3.21Å; I320-N323 PolarHBondContact O-N 3.43Å; I320-L837 HydrophobicContact CD1-CD1 3.9Å; I320-L837 HydrophobicContact CD1-CD2 4.03Å
321	M	54	Low	57	Low	18 Å²	18	49.2 Å²	49.2	9%	0.089	25%	0.25	C	C	.	.	H	α-helix	trans	-59.2	-40.5	176.4	179.7	174.1	70.3	0	0	111.3	F304 L305 L317 T318 N323	F304-M321 HydrophobicContact CB-SD 4.39Å; F304-M321 HydrophobicContact CD1-CE 3.99Å; F304-M321 HydrophobicContact CD1-CG 3.64Å; F304-M321 HydrophobicContact CD1-SD 4.02Å; F304-M321 HydrophobicContact CE1-CG 3.89Å; F304-M321 VanDerWaalsContact CE1-O 3.28Å; F304-M321 WeakPolarHBondContact CE1-O 3.43Å; F304-M321 HydrophobicContact CG-CG 4.49Å; L305-M321 WeakPolarHBondContact O-CE 3.12Å; L317-M321 WeakPolarHBondContact O-CB 3.37Å; L317-M321 PolarHBondContact O-N 3.4Å; T318-M321 PolarHBondContact O-N 3.29Å; M321-N323 PolarHBondContact O-N 2.85Å
322	S	54	Low	57.6	Low	9 Å²	9	49.3 Å²	49.3	6%	0.063	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	6.2	175.7	-74.2	0	0	0	0	115.1	T318 E319 I320 V324 V455 R456	T318-S322 WeakPolarHBondContact O-CB 3.28Å; T318-S322 PolarHBondContact O-N 3.1Å; T318-S322 PolarHBondContact O-OG 2.93Å; E319-S322 CarbonylContact O-C 3.37Å; E319-S322 PolarHBondContact O-N 3.37Å; I320-S322 VanDerWaalsContact C-N 3.27Å; I320-S322 PolarHBondContact O-N 3.21Å; S322-V324 PolarHBondContact O-N 3.12Å; S322-V455 WeakPolarHBondContact O-CA 3.38Å; S322-V455 WeakPolarHBondContact O-CG1 3.49Å; S322-V455 WeakPolarHBondContact O-CG2 3.47Å; S322-R456 VanDerWaalsContact CB-O 3.22Å; S322-R456 WeakPolarHBondContact CB-O 3.31Å; S322-R456 PolarHBondContact OG-O 2.8Å
323	N	59.4	Low	58.4	Low	10 Å²	10	41.2 Å²	41.2	5%	0.053	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	14.4	171.9	-86.1	-37.8	0	0	0	115.1	G299 E319 I320 M321 Q325 L326 W420 G454 V455	G299-N323 PolarHBondContact O-ND2 3.3Å; E319-N323 PolarHBondContact O-N 3.08Å; I320-N323 PolarHBondContact O-N 3.43Å; M321-N323 PolarHBondContact O-N 2.85Å; N323-Q325 PolarHBondContact O-N 3.47Å; N323-Q325 VanDerWaalsContact O-N 3.12Å; N323-L326 HydrophobicContact CB-CD1 3.65Å; N323-L326 HydrophobicContact CB-CG 3.68Å; N323-L326 VanDerWaalsContact CG-CD1 3.45Å; N323-L326 VanDerWaalsContact O-CB 3.25Å; N323-L326 WeakPolarHBondContact O-CB 3.33Å; N323-L326 WeakPolarHBondContact O-CG 3.44Å; N323-L326 PolarHBondContact O-N 3.06Å; N323-L326 WeakPolarHBondContact OD1-CD1 3.31Å; N323-L326 WeakPolarHBondContact OD1-CG 3.43Å; N323-W420 HydrophobicContact CB-CZ3 4.49Å; N323-G454 WeakPolarHBondContact CB-O 3.44Å; N323-G454 PolarHBondContact ND2-O 3.04Å; N323-G454 VanDerWaalsContact ND2-O 3.12Å; N323-V455 HydrophobicContact CB-CG2 3.64Å
324	V	60.2	Low	58.8	Low	58 Å²	58	36.5 Å²	36.5	35%	0.352	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-36.6	-171.6	-178	0	0	0	0	111.1	E319 S322 L326 V455	E319-V324 HydrophobicContact CG-CB 3.84Å; E319-V324 HydrophobicContact CG-CG1 4.46Å; E319-V324 HydrophobicContact CG-CG2 3.98Å; E319-V324 PolarHBondContact O-N 3.29Å; S322-V324 PolarHBondContact O-N 3.12Å; V324-L326 VanDerWaalsContact C-N 3.28Å; V324-L326 PolarHBondContact O-N 2.94Å; V324-V455 HydrophobicContact CG2-CG1 4.26Å
325	Q	56.9	Low	59.3	Low	50 Å²	50	40.1 Å²	40.1	23%	0.234	21%	0.208	C	C	.	.	H	α-helix	trans	-77.5	-2.3	178.3	-54	-172.4	6.2	0	0	114.4	E319 N323 N327 S328 N329	E319-Q325 WeakPolarHBondContact OE1-CG 3.28Å; E319-Q325 PolarHBondContact OE1-NE2 3.21Å; N323-Q325 PolarHBondContact O-N 3.47Å; N323-Q325 VanDerWaalsContact O-N 3.12Å; Q325-N327 VanDerWaalsContact C-N 3.35Å; Q325-N327 PolarHBondContact O-N 2.91Å; Q325-S328 PolarHBondContact O-OG 3.48Å; Q325-S328 VanDerWaalsContact O-OG 3.07Å; Q325-N329 WeakPolarHBondContact O-CB 3.32Å; Q325-N329 PolarHBondContact O-N 3.45Å; Q325-N329 PolarHBondContact O-ND2 3.44Å
326	L	61.6	Low	59.5	Low	14 Å²	14	39.6 Å²	39.6	7%	0.073	21%	0.205	C	C	.	.	H	α-helix	trans	-59	-46.5	176.2	-76.2	-168.4	0	0	0	111.7	N323 V324 N329 F330 W420 M829 F897	N323-L326 HydrophobicContact CB-CD1 3.65Å; N323-L326 HydrophobicContact CB-CG 3.68Å; N323-L326 VanDerWaalsContact CG-CD1 3.45Å; N323-L326 VanDerWaalsContact O-CB 3.25Å; N323-L326 WeakPolarHBondContact O-CB 3.33Å; N323-L326 WeakPolarHBondContact O-CG 3.44Å; N323-L326 PolarHBondContact O-N 3.06Å; N323-L326 WeakPolarHBondContact OD1-CD1 3.31Å; N323-L326 WeakPolarHBondContact OD1-CG 3.43Å; V324-L326 VanDerWaalsContact C-N 3.28Å; V324-L326 PolarHBondContact O-N 2.94Å; L326-N329 PolarHBondContact O-N 2.94Å; L326-F330 WeakPolarHBondContact O-CB 3.16Å; L326-F330 PolarHBondContact O-N 3.02Å; L326-W420 HydrophobicContact CD1-CD2 4.22Å; L326-W420 HydrophobicContact CD1-CE3 3.67Å; L326-W420 HydrophobicContact CD1-CH2 3.96Å; L326-W420 HydrophobicContact CD1-CZ2 4.46Å; L326-W420 HydrophobicContact CD1-CZ3 3.51Å; L326-M829 HydrophobicContact CD2-CE 4.33Å; L326-F897 HydrophobicContact CD2-CE2 3.29Å; L326-F897 HydrophobicContact CD2-CZ 3.51Å
327	N	60.2	Low	59.6	Low	29 Å²	29	39.3 Å²	39.3	16%	0.155	20%	0.204	C	C	.	.	H	α-helix	trans	-67	-46.8	-174.1	-175.2	-9.9	0	0	0	111.3	Q325 N329 F330 L331 W420 D421	Q325-N327 VanDerWaalsContact C-N 3.35Å; Q325-N327 PolarHBondContact O-N 2.91Å; N327-N329 VanDerWaalsContact C-N 3.29Å; N327-N329 PolarHBondContact O-N 3.43Å; N327-F330 PolarHBondContact O-N 2.99Å; N327-L331 WeakPolarHBondContact O-CB 3.45Å; N327-L331 PolarHBondContact O-N 2.82Å; N327-W420 HydrophobicContact CB-CB 4.01Å; N327-W420 WeakPolarHBondContact CB-O 3.47Å; N327-W420 VanDerWaalsContact ND2-C 3.27Å; N327-W420 PolarHBondContact ND2-O 3.21Å; N327-D421 WeakPolarHBondContact ND2-CA 3.22Å; N327-D421 WeakPolarHBondContact ND2-CB 3.31Å; N327-D421 PolarHBondContact ND2-N 2.97Å
328	S	63.7	Low	59.7	Low	74 Å²	74	46.3 Å²	46.3	52%	0.517	24%	0.241	S	C	.	.	H	α-helix	trans	-59.3	-40.4	177.8	63.4	0	0	0	0	112.1	Q325 A332	Q325-S328 PolarHBondContact O-OG 3.48Å; Q325-S328 VanDerWaalsContact O-OG 3.07Å; S328-A332 WeakPolarHBondContact O-CB 3.42Å; S328-A332 PolarHBondContact O-N 2.84Å
329	N	59.6	Low	59.7	Low	16 Å²	16	47.3 Å²	47.3	9%	0.086	25%	0.245	C	C	.	.	H	α-helix	trans	-75.2	-40.1	178.3	-74.2	-62.4	0	0	0	113.5	Q325 L326 N327 A332 L333 F897	Q325-N329 WeakPolarHBondContact O-CB 3.32Å; Q325-N329 PolarHBondContact O-N 3.45Å; Q325-N329 PolarHBondContact O-ND2 3.44Å; L326-N329 PolarHBondContact O-N 2.94Å; N327-N329 VanDerWaalsContact C-N 3.29Å; N327-N329 PolarHBondContact O-N 3.43Å; N329-A332 WeakPolarHBondContact O-CB 3.3Å; N329-A332 PolarHBondContact O-N 2.79Å; N329-L333 PolarHBondContact O-N 3.34Å; N329-F897 HydrophobicContact CB-CE1 4.27Å
330	F	58.7	Low	59.5	Low	8 Å²	8	48.1 Å²	48.1	4%	0.035	25%	0.25	C	S	.	.	H	α-helix	trans	-64.5	-42.6	173.9	179.6	-95.1	0	0	0	111.3	L326 N327 A332 L333 A334 A384 F385 T775 L776 P827 M829	L326-F330 WeakPolarHBondContact O-CB 3.16Å; L326-F330 PolarHBondContact O-N 3.02Å; N327-F330 PolarHBondContact O-N 2.99Å; F330-A332 VanDerWaalsContact C-N 3.32Å; F330-L333 HydrophobicContact CD2-CD2 4.48Å; F330-L333 PolarHBondContact O-N 3.35Å; F330-A334 PolarHBondContact O-N 2.87Å; F330-A384 HydrophobicContact CD1-CB 4Å; F330-A384 HydrophobicContact CE1-CB 3.56Å; F330-A384 WeakPolarHBondContact CE1-O 3.49Å; F330-A384 HydrophobicContact CZ-CB 4.15Å; F330-F385 HydrophobicContact CE1-CE1 4.47Å; F330-F385 HydrophobicContact CE1-CE2 4.26Å; F330-F385 HydrophobicContact CE1-CZ 4.2Å; F330-F385 HydrophobicContact CZ-CE2 4.14Å; F330-F385 HydrophobicContact CZ-CZ 4.08Å; F330-T775 WeakPolarHBondContact CE2-OG1 3.39Å; F330-T775 VanDerWaalsContact CZ-OG1 3.23Å; F330-T775 WeakPolarHBondContact CZ-OG1 3.46Å; F330-L776 HydrophobicContact CE2-CD2 3.65Å; F330-L776 HydrophobicContact CE2-CG 4.43Å; F330-L776 HydrophobicContact CZ-CD2 3.92Å; F330-L776 HydrophobicContact CZ-CG 4.34Å; F330-P827 HydrophobicContact CD2-CB 3.86Å; F330-P827 HydrophobicContact CE2-CB 4.06Å; F330-M829 HydrophobicContact CB-CE 4.23Å; F330-M829 HydrophobicContact CB-SD 4.42Å; F330-M829 HydrophobicContact CD2-SD 4.41Å
331	L	64.4	Low	59.2	Low	51 Å²	51	55.3 Å²	55.3	27%	0.267	28%	0.284	S	S	.	.	H	α-helix	trans	-70.4	-29.3	176.8	-163.8	149.2	0	0	0	111.4	N327 A334 R335	N327-L331 WeakPolarHBondContact O-CB 3.45Å; N327-L331 PolarHBondContact O-N 2.82Å; L331-A334 WeakPolarHBondContact O-CB 3.39Å; L331-A334 PolarHBondContact O-N 3.17Å; L331-R335 WeakPolarHBondContact O-CG 3.38Å; L331-R335 PolarHBondContact O-N 3.04Å
332	A	61.3	Low	59.3	Low	37 Å²	37	55.9 Å²	55.9	31%	0.306	29%	0.289	S	S	.	.	H	α-helix	trans	-64.4	-49.8	167.7	0	0	0	0	0	111.8	S328 N329 F330 A334 R335 E336	S328-A332 WeakPolarHBondContact O-CB 3.42Å; S328-A332 PolarHBondContact O-N 2.84Å; N329-A332 WeakPolarHBondContact O-CB 3.3Å; N329-A332 PolarHBondContact O-N 2.79Å; F330-A332 VanDerWaalsContact C-N 3.32Å; A332-A334 PolarHBondContact O-N 3.44Å; A332-R335 WeakPolarHBondContact O-CA 3.44Å; A332-R335 WeakPolarHBondContact O-CB 3.1Å; A332-R335 PolarHBondContact O-N 3.26Å; A332-E336 PolarHBondContact O-N 3.17Å
333	L	57.5	Low	59.5	Low	2 Å²	2	59.6 Å²	59.6	1%	0.01	30%	0.304	C	S	.	.	H	α-helix	trans	-56.8	-36.2	172.2	163.2	146.1	0	0	0	112.2	N329 F330 R335 E336 L337 T775 M829 P871 L873	N329-L333 PolarHBondContact O-N 3.34Å; F330-L333 HydrophobicContact CD2-CD2 4.48Å; F330-L333 PolarHBondContact O-N 3.35Å; L333-R335 PolarHBondContact O-N 3.15Å; L333-E336 PolarHBondContact O-N 2.8Å; L333-L337 HydrophobicContact CD1-CD1 4.27Å; L333-L337 HydrophobicContact CD2-CD1 3.84Å; L333-L337 HydrophobicContact CG-CD1 3.75Å; L333-L337 HydrophobicContact CG-CG 4.32Å; L333-L337 WeakPolarHBondContact O-CB 3.47Å; L333-L337 WeakPolarHBondContact O-CG 3.48Å; L333-L337 PolarHBondContact O-N 3.35Å; L333-T775 HydrophobicContact CD2-CG2 4.22Å; L333-M829 HydrophobicContact CD1-CB 3.52Å; L333-M829 HydrophobicContact CD1-SD 4.46Å; L333-P871 HydrophobicContact CB-CG 4.28Å; L333-P871 HydrophobicContact CD1-CB 4.12Å; L333-L873 HydrophobicContact CD1-CD2 4.17Å
334	A	61.3	Low	59.5	Low	1 Å²	1	61.3 Å²	61.3	1%	0.008	32%	0.315	C	S	.	.	H	α-helix	trans	-63.1	-26.5	174.2	0	0	0	0	0	113.2	F330 L331 A332 I339 M340 F385	F330-A334 PolarHBondContact O-N 2.87Å; L331-A334 WeakPolarHBondContact O-CB 3.39Å; L331-A334 PolarHBondContact O-N 3.17Å; A332-A334 PolarHBondContact O-N 3.44Å; A334-I339 PolarHBondContact O-N 3.14Å; A334-I339 VanDerWaalsContact O-N 3.08Å; A334-M340 HydrophobicContact CB-CG 4.2Å; A334-M340 WeakPolarHBondContact O-CG 3.31Å; A334-M340 PolarHBondContact O-N 3.08Å; A334-F385 HydrophobicContact CB-CD1 3.99Å; A334-F385 HydrophobicContact CB-CE1 3.58Å
335	R	62.7	Low	59.4	Low	142 Å²	142	58.7 Å²	58.7	54%	0.536	30%	0.299	S	S	.	.	H	α-helix	trans	-79.4	-51.2	172.7	-38.4	-155.3	-178.9	135.3	2.2	111.4	L331 A332 L333 L337 D338 M340	L331-R335 WeakPolarHBondContact O-CG 3.38Å; L331-R335 PolarHBondContact O-N 3.04Å; A332-R335 WeakPolarHBondContact O-CA 3.44Å; A332-R335 WeakPolarHBondContact O-CB 3.1Å; A332-R335 PolarHBondContact O-N 3.26Å; L333-R335 PolarHBondContact O-N 3.15Å; R335-L337 PolarHBondContact O-N 2.89Å; R335-D338 PolarHBondContact O-N 3.14Å; R335-M340 HydrophobicContact CB-CE 3.95Å; R335-M340 HydrophobicContact CB-SD 4.4Å; R335-M340 HydrophobicContact CG-CE 3.82Å; R335-M340 HydrophobicContact CG-CG 4.4Å; R335-M340 HydrophobicContact CG-SD 3.72Å
336	E	59.3	Low	59.5	Low	144 Å²	144	60.7 Å²	60.7	67%	0.673	31%	0.311	S	S	*	.	H	α-helix	trans	-62	-25.6	-177.2	-63.5	-56.4	138.7	0	0	113.2	A332 L333 P871	A332-E336 PolarHBondContact O-N 3.17Å; L333-E336 PolarHBondContact O-N 2.8Å; E336-P871 HydrophobicContact CB-CG 4.3Å; E336-P871 HydrophobicContact CG-CG 4.43Å
337	L	58.8	Low	59.4	Low	59 Å²	59	64.5 Å²	64.5	31%	0.309	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-0.6	174.6	-62.1	177	0	0	0	114.3	L333 R335 I339 L873	L333-L337 HydrophobicContact CD1-CD1 4.27Å; L333-L337 HydrophobicContact CD2-CD1 3.84Å; L333-L337 HydrophobicContact CG-CD1 3.75Å; L333-L337 HydrophobicContact CG-CG 4.32Å; L333-L337 WeakPolarHBondContact O-CB 3.47Å; L333-L337 WeakPolarHBondContact O-CG 3.48Å; L333-L337 PolarHBondContact O-N 3.35Å; R335-L337 PolarHBondContact O-N 2.89Å; L337-I339 HydrophobicContact CB-CB 4.25Å; L337-I339 HydrophobicContact CB-CD1 3.69Å; L337-I339 HydrophobicContact CB-CG1 3.81Å; L337-I339 HydrophobicContact CD1-CD1 3.95Å; L337-I339 HydrophobicContact CG-CD1 4.45Å; L337-I339 WeakPolarHBondContact O-CG1 3.43Å; L337-I339 PolarHBondContact O-N 2.91Å; L337-L873 HydrophobicContact CD1-CD1 3.96Å; L337-L873 HydrophobicContact CD1-CD2 4.41Å; L337-L873 HydrophobicContact CD1-CG 4.05Å
338	D	60.4	Low	59.4	Low	150 Å²	150	64 Å²	64	80%	0.802	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	24.7	-169.6	-81.8	-41.3	0	0	0	114	R335	R335-D338 PolarHBondContact O-N 3.14Å
339	I	59.8	Low	59.1	Low	39 Å²	39	61 Å²	61	20%	0.2	31%	0.306	C	S	.	.			trans	-88	-5.6	-174.4	-72.8	177.2	0	0	0	112.8	A334 L337 E341 F385 K773 T775	A334-I339 PolarHBondContact O-N 3.14Å; A334-I339 VanDerWaalsContact O-N 3.08Å; L337-I339 HydrophobicContact CB-CB 4.25Å; L337-I339 HydrophobicContact CB-CD1 3.69Å; L337-I339 HydrophobicContact CB-CG1 3.81Å; L337-I339 HydrophobicContact CD1-CD1 3.95Å; L337-I339 HydrophobicContact CG-CD1 4.45Å; L337-I339 WeakPolarHBondContact O-CG1 3.43Å; L337-I339 PolarHBondContact O-N 2.91Å; I339-E341 VanDerWaalsContact C-N 3.3Å; I339-E341 PolarHBondContact O-N 2.94Å; I339-E341 VanDerWaalsContact O-N 3.15Å; I339-F385 HydrophobicContact CG2-CE1 3.65Å; I339-F385 HydrophobicContact CG2-CZ 3.69Å; I339-K773 HydrophobicContact CG2-CB 3.89Å; I339-K773 HydrophobicContact CG2-CD 3.52Å; I339-K773 HydrophobicContact CG2-CG 4.3Å; I339-K773 WeakPolarHBondContact O-CD 3Å; I339-K773 PolarHBondContact O-NZ 2.89Å; I339-T775 HydrophobicContact CD1-CG2 4.43Å
340	M	56.6	Low	59	Low	96 Å²	96	66 Å²	66	47%	0.473	33%	0.327	S	S	.	.			trans	-53.2	-36	-177	-78.3	-163.4	-71.1	0	0	115	A334 R335 K773	A334-M340 HydrophobicContact CB-CG 4.2Å; A334-M340 WeakPolarHBondContact O-CG 3.31Å; A334-M340 PolarHBondContact O-N 3.08Å; R335-M340 HydrophobicContact CB-CE 3.95Å; R335-M340 HydrophobicContact CB-SD 4.4Å; R335-M340 HydrophobicContact CG-CE 3.82Å; R335-M340 HydrophobicContact CG-CG 4.4Å; R335-M340 HydrophobicContact CG-SD 3.72Å; M340-K773 PolarHBondContact O-NZ 3.16Å; M340-K773 VanDerWaalsContact O-NZ 3.09Å
341	E	52.6	Low	58.9	Low	154 Å²	154	68.9 Å²	68.9	72%	0.72	35%	0.345	S	S	*	.	S	Bend	trans	-56.5	125.6	-176.8	-66.7	-153.8	130.5	0	0	112.1	I339 K343 K773	I339-E341 VanDerWaalsContact C-N 3.3Å; I339-E341 PolarHBondContact O-N 2.94Å; I339-E341 VanDerWaalsContact O-N 3.15Å; E341-K343 PolarHBondContact O-N 3.27Å; E341-K773 PolarHBondContact O-NZ 3.07Å
342	P	56.8	Low	58.2	Low	30 Å²	30	75.9 Å²	75.9	20%	0.195	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-71.1	129.2	-178.9	27.8	-33.6	0	0	0	110.1	K389	P342-K389 HydrophobicContact CG-CD 4.06Å; P342-K389 HydrophobicContact CG-CG 4.1Å
343	K	58.9	Low	57.6	Low	87 Å²	87	79.5 Å²	79.5	38%	0.378	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-90.5	132.5	179.9	-68.7	177.6	-177.6	168.5	0	109.2	E341 V381 N382 K773	E341-K343 PolarHBondContact O-N 3.27Å; K343-V381 HydrophobicContact CB-CG2 4.34Å; K343-N382 PolarHBondContact N-OD1 3.45Å; K343-N382 PolarHBondContact O-ND2 3.36Å; K343-N382 VanDerWaalsContact O-ND2 3.09Å; K343-K773 HydrophobicContact CD-CG 4.4Å
344	V	59.3	Low	57.3	Low	46 Å²	46	81.9 Å²	81.9	28%	0.279	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-80.6	143.4	177.9	-172.8	0	0	0	0	108.3	D346 D347 L390	V344-D346 HydrophobicContact CG1-CB 4.28Å; V344-D346 PolarHBondContact O-N 2.98Å; V344-D346 VanDerWaalsContact O-N 3.07Å; V344-D347 WeakPolarHBondContact CB-OD2 3.43Å; V344-D347 PolarHBondContact N-OD2 3.24Å; V344-D347 WeakPolarHBondContact O-CB 3.42Å; V344-D347 PolarHBondContact O-N 2.88Å; V344-L390 HydrophobicContact CG1-CD1 3.98Å
345	P	57.2	Low	56.3	Low	4 Å²	4	87.5 Å²	87.5	3%	0.026	43%	0.431	C	S	.	.	H	α-helix	trans	-51.3	-31.6	174.1	-31.1	37.4	0	0	0	114.3	D347 I348 Y349 V377 N378 L390	P345-D347 VanDerWaalsContact C-N 3.33Å; P345-D347 PolarHBondContact O-N 3.34Å; P345-I348 WeakPolarHBondContact O-CB 3.4Å; P345-I348 PolarHBondContact O-N 2.86Å; P345-I348 VanDerWaalsContact O-N 3.16Å; P345-Y349 HydrophobicContact CB-CD2 4.47Å; P345-Y349 HydrophobicContact CB-CE2 3.9Å; P345-Y349 VanDerWaalsContact O-CD2 3.23Å; P345-Y349 WeakPolarHBondContact O-CD2 3.19Å; P345-Y349 PolarHBondContact O-N 3.48Å; P345-V377 HydrophobicContact CB-CG1 3.95Å; P345-V377 HydrophobicContact CG-CG1 4.3Å; P345-N378 HydrophobicContact CG-CB 3.9Å; P345-L390 HydrophobicContact CG-CD1 4.22Å
346	D	58.1	Low	55.5	Low	91 Å²	91	88 Å²	88	49%	0.487	44%	0.444	S	S	.	.	H	α-helix	trans	-66.1	-28.3	174.8	-70.7	-53.1	0	0	0	114.1	V344 I348 K350	V344-D346 HydrophobicContact CG1-CB 4.28Å; V344-D346 PolarHBondContact O-N 2.98Å; V344-D346 VanDerWaalsContact O-N 3.07Å; D346-I348 VanDerWaalsContact C-N 3.28Å; D346-I348 PolarHBondContact O-N 2.99Å; D346-K350 WeakPolarHBondContact O-CA 3.45Å; D346-K350 PolarHBondContact O-N 3.2Å
347	D	60.9	Low	54.6	Low	94 Å²	94	92.2 Å²	92.2	50%	0.503	45%	0.454	S	S	.	.	H	α-helix	trans	-70.1	-27.9	173.2	-59.6	-47.6	0	0	0	111.9	V344 P345 K350	V344-D347 WeakPolarHBondContact CB-OD2 3.43Å; V344-D347 PolarHBondContact N-OD2 3.24Å; V344-D347 WeakPolarHBondContact O-CB 3.42Å; V344-D347 PolarHBondContact O-N 2.88Å; P345-D347 VanDerWaalsContact C-N 3.33Å; P345-D347 PolarHBondContact O-N 3.34Å; D347-K350 WeakPolarHBondContact O-CE 3.48Å; D347-K350 WeakPolarHBondContact O-CG 3.44Å
348	I	59.2	Low	53.9	Low	18 Å²	18	99.8 Å²	99.8	9%	0.092	49%	0.485	C	S	.	.	H	α-helix	trans	-80	-50.5	177.1	-50.7	176.1	0	0	0	109.6	P345 D346 K350 V377 V381 H770	P345-I348 WeakPolarHBondContact O-CB 3.4Å; P345-I348 PolarHBondContact O-N 2.86Å; P345-I348 VanDerWaalsContact O-N 3.16Å; D346-I348 VanDerWaalsContact C-N 3.28Å; D346-I348 PolarHBondContact O-N 2.99Å; I348-K350 PolarHBondContact O-N 3.37Å; I348-V377 HydrophobicContact CD1-CG1 3.75Å; I348-V381 HydrophobicContact CD1-CB 3.71Å; I348-V381 HydrophobicContact CD1-CG1 3.86Å; I348-V381 HydrophobicContact CD1-CG2 3.69Å; I348-H770 WeakPolarHBondContact CG2-CD2 3.15Å
349	Y	57.4	Low	52.7	Low	12 Å²	12	96.2 Å²	96.2	5%	0.047	48%	0.484	C	S	.	.	H	α-helix	trans	-59.8	-28.3	175.6	-59.6	-30.6	0	0	0	111.6	P345 T351 V377 R763	P345-Y349 HydrophobicContact CB-CD2 4.47Å; P345-Y349 HydrophobicContact CB-CE2 3.9Å; P345-Y349 VanDerWaalsContact O-CD2 3.23Å; P345-Y349 WeakPolarHBondContact O-CD2 3.19Å; P345-Y349 PolarHBondContact O-N 3.48Å; Y349-T351 VanDerWaalsContact C-N 3.3Å; Y349-T351 PolarHBondContact O-N 2.96Å; Y349-V377 HydrophobicContact CE1-CG1 4.3Å; Y349-V377 HydrophobicContact CE1-CG2 4.3Å; Y349-R763 HydrophobicContact CD1-CG 4.33Å; Y349-R763 HydrophobicContact CE1-CB 3.98Å; Y349-R763 HydrophobicContact CE1-CG 3.65Å
350	K	58.8	Low	51.9	Low	121 Å²	121	98 Å²	98	53%	0.526	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.7	54.5	-175	-65.3	-169	176.3	-174.5	0	110.4	D346 D347 I348 H352 L353	D346-K350 WeakPolarHBondContact O-CA 3.45Å; D346-K350 PolarHBondContact O-N 3.2Å; D347-K350 WeakPolarHBondContact O-CE 3.48Å; D347-K350 WeakPolarHBondContact O-CG 3.44Å; I348-K350 PolarHBondContact O-N 3.37Å; K350-H352 PolarHBondContact O-N 3.34Å; K350-L353 HydrophobicContact CB-CB 4.31Å; K350-L353 WeakPolarHBondContact O-CA 3.25Å; K350-L353 WeakPolarHBondContact O-CB 3.32Å; K350-L353 PolarHBondContact O-N 3.29Å
351	T	55	Low	51.1	Low	68 Å²	68	98.9 Å²	98.9	42%	0.417	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-19.7	-170.7	-45.8	0	0	0	0	114	Y349	Y349-T351 VanDerWaalsContact C-N 3.3Å; Y349-T351 PolarHBondContact O-N 2.96Å
352	H	51	Low	50.5	Low	199 Å²	199	95.8 Å²	95.8	92%	0.921	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-15.3	171.1	-65.9	-64.2	0	0	0	115.3	K350	K350-H352 PolarHBondContact O-N 3.34Å
353	L	49.3	Very low	49.6	Very low	113 Å²	113	97.9 Å²	97.9	59%	0.592	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.7	-21.6	178.8	-145.5	83.6	0	0	0	112.6	K350 N355 R746	K350-L353 HydrophobicContact CB-CB 4.31Å; K350-L353 WeakPolarHBondContact O-CA 3.25Å; K350-L353 WeakPolarHBondContact O-CB 3.32Å; K350-L353 PolarHBondContact O-N 3.29Å; L353-N355 PolarHBondContact O-N 2.69Å; L353-R746 VanDerWaalsContact CD2-NH1 3.27Å
354	E	50.5	Low	48.8	Very low	51 Å²	51	103.2 Å²	103.2	24%	0.238	58%	0.578	C	S	.	*	S	Bend	trans	-64.8	94	165.5	-67.9	-82.9	116.5	0	0	108.4	N356	E354-N356 PolarHBondContact O-N 3.07Å
355	N	40.5	Very low	48.2	Very low	120 Å²	120	103.8 Å²	103.8	64%	0.642	58%	0.581	S	S	*	*			trans	-70.1	95.9	-174.6	-95	-70.4	0	0	0	111.4	L353 R357 Q750	L353-N355 PolarHBondContact O-N 2.69Å; N355-R357 PolarHBondContact O-N 2.71Å; N355-Q750 PolarHBondContact O-OE1 2.7Å
356	N	45.5	Very low	47.6	Very low	151 Å²	151	107.9 Å²	107.9	81%	0.807	60%	0.603	S	S	*	*			trans	-53.4	85.1	162.6	-88.2	-48.4	0	0	0	110.9	E354 F358	E354-N356 PolarHBondContact O-N 3.07Å; N356-F358 PolarHBondContact O-N 2.82Å; N356-F358 VanDerWaalsContact O-N 3.11Å
357	R	40.3	Very low	47.6	Very low	233 Å²	233	106.2 Å²	106.2	88%	0.879	60%	0.599	S	S	*	*			trans	-64.2	113	177.4	-81.4	-173.1	167.9	-166	-2.1	109.3	N355 G359	N355-R357 PolarHBondContact O-N 2.71Å; R357-G359 PolarHBondContact O-N 3Å
358	F	43.2	Very low	47.5	Very low	219 Å²	219	104 Å²	104	96%	0.961	59%	0.594	S	S	*	*	S	Bend	trans	-46.8	105.6	171	-89.1	-109	0	0	0	110.9	N356	N356-F358 PolarHBondContact O-N 2.82Å; N356-F358 VanDerWaalsContact O-N 3.11Å
359	G	37.2	Very low	47.4	Very low	75 Å²	75	107.3 Å²	107.3	77%	0.773	61%	0.605	S	S	*	*			trans	176.6	34.9	-171.9	0	0	0	0	0	119.2	R357	R357-G359 PolarHBondContact O-N 3Å
360	G	41.6	Very low	47.6	Very low	76 Å²	76	110 Å²	110	78%	0.784	62%	0.619	S	S	*	*	S	Bend	trans	85.5	145.4	163.1	0	0	0	0	0	117.4
361	S	39.3	Very low	47.9	Very low	114 Å²	114	104.6 Å²	104.6	80%	0.797	60%	0.595	S	S	*	*			trans	54.6	69	174.1	-171.3	0	0	0	0	116.1	S363	S361-S363 PolarHBondContact O-N 2.82Å
362	G	40.1	Very low	48.2	Very low	89 Å²	89	101.8 Å²	101.8	92%	0.918	58%	0.578	S	S	*	*			trans	-65.2	99.4	158.9	0	0	0	0	0	110.1
363	S	39	Very low	48.7	Very low	75 Å²	75	92.4 Å²	92.4	52%	0.524	54%	0.535	S	S	.	.			trans	-72.5	147.9	177.1	46.1	0	0	0	0	111.5	S361 V365	S361-S363 PolarHBondContact O-N 2.82Å; S363-V365 PolarHBondContact O-N 3.33Å
364	Q	41.3	Very low	49.4	Very low	198 Å²	198	87.9 Å²	87.9	93%	0.925	51%	0.513	S	S	*	.			trans	-62.2	105.7	167	-69.6	177.3	-68.7	0	0	109.2	D366	Q364-D366 PolarHBondContact O-N 3.37Å
365	V	46.2	Very low	50.2	Low	58 Å²	58	85.5 Å²	85.5	35%	0.352	50%	0.502	S	S	.	.			trans	-64.5	130.2	162.3	179.8	0	0	0	0	106.8	S363 S367 M370 L759	S363-V365 PolarHBondContact O-N 3.33Å; V365-S367 PolarHBondContact O-N 3.38Å; V365-M370 HydrophobicContact CG1-CB 4.18Å; V365-M370 HydrophobicContact CG1-SD 4.09Å; V365-L759 HydrophobicContact CG1-CD2 4.38Å
366	D	46.1	Very low	51.2	Low	90 Å²	90	79.9 Å²	79.9	48%	0.481	47%	0.471	S	S	.	.			trans	-64.7	102.5	-178.4	-171.4	-8.1	0	0	0	110	Q364 A368 R369 M370	Q364-D366 PolarHBondContact O-N 3.37Å; D366-A368 PolarHBondContact O-N 3.03Å; D366-A368 VanDerWaalsContact O-N 3.12Å; D366-R369 PolarHBondContact O-N 2.82Å; D366-M370 PolarHBondContact O-N 3.36Å
367	S	58.3	Low	52.1	Low	56 Å²	56	72.7 Å²	72.7	39%	0.392	43%	0.433	S	S	.	.	H	α-helix	trans	-61.4	-28.1	-166.7	179.3	0	0	0	0	112.2	V365 M370 N371	V365-S367 PolarHBondContact O-N 3.38Å; S367-M370 PolarHBondContact O-N 3.19Å; S367-N371 WeakPolarHBondContact O-CB 3.28Å; S367-N371 PolarHBondContact O-N 3.27Å; S367-N371 PolarHBondContact O-ND2 3.12Å; S367-N371 PolarHBondContact O-OD1 2.87Å; S367-N371 VanDerWaalsContact O-OD1 3.09Å; S367-N371 PolarHBondContact OG-ND2 3.34Å; S367-N371 PolarHBondContact OG-OD1 3.4Å
368	A	57.3	Low	53.2	Low	48 Å²	48	61.8 Å²	61.8	40%	0.397	39%	0.392	S	S	.	.	H	α-helix	trans	-64.1	-48.1	-179.2	0	0	0	0	0	111.9	D366 N371 L372	D366-A368 PolarHBondContact O-N 3.03Å; D366-A368 VanDerWaalsContact O-N 3.12Å; A368-N371 PolarHBondContact O-N 2.98Å; A368-L372 WeakPolarHBondContact O-CB 3.39Å; A368-L372 PolarHBondContact O-N 2.99Å
369	R	56.9	Low	54.1	Low	87 Å²	87	51.3 Å²	51.3	33%	0.328	35%	0.346	S	S	.	.	H	α-helix	trans	-70.9	-34.1	177	-76.9	-174.7	166.6	154.5	4.4	112.3	D366 L372 A373 N757 L811	D366-R369 PolarHBondContact O-N 2.82Å; R369-L372 PolarHBondContact O-N 3.07Å; R369-A373 PolarHBondContact O-N 3.18Å; R369-N757 PolarHBondContact NH1-OD1 3.06Å; R369-L811 PolarHBondContact NH2-O 3.16Å
370	M	63	Low	55.3	Low	69 Å²	69	47.8 Å²	47.8	34%	0.34	31%	0.31	S	S	.	.	H	α-helix	trans	-62.9	-44.6	171.6	169.2	150.1	175.1	0	0	112.2	V365 D366 S367 L372 A373 S374 R763	V365-M370 HydrophobicContact CG1-CB 4.18Å; V365-M370 HydrophobicContact CG1-SD 4.09Å; D366-M370 PolarHBondContact O-N 3.36Å; S367-M370 PolarHBondContact O-N 3.19Å; M370-L372 VanDerWaalsContact C-N 3.33Å; M370-L372 PolarHBondContact O-N 3.27Å; M370-A373 PolarHBondContact O-N 3.39Å; M370-S374 PolarHBondContact O-N 3.43Å; M370-S374 VanDerWaalsContact O-N 3.11Å; M370-S374 PolarHBondContact O-OG 3.5Å; M370-R763 VanDerWaalsContact CG-NH1 3.31Å; M370-R763 PolarHBondContact SD-NH1 2.75Å
371	N	64.5	Low	56.1	Low	7 Å²	7	44.2 Å²	44.2	4%	0.037	27%	0.273	C	S	.	.	H	α-helix	trans	-63.8	-40.4	177.3	-60.3	-19.8	0	0	0	111.1	S367 A368 S374 S375 W398 K401 N402	S367-N371 WeakPolarHBondContact O-CB 3.28Å; S367-N371 PolarHBondContact O-N 3.27Å; S367-N371 PolarHBondContact O-ND2 3.12Å; S367-N371 PolarHBondContact O-OD1 2.87Å; S367-N371 VanDerWaalsContact O-OD1 3.09Å; S367-N371 PolarHBondContact OG-ND2 3.34Å; S367-N371 PolarHBondContact OG-OD1 3.4Å; A368-N371 PolarHBondContact O-N 2.98Å; N371-S374 WeakPolarHBondContact O-CB 3.14Å; N371-S374 PolarHBondContact O-N 3.46Å; N371-S375 PolarHBondContact O-N 3.07Å; N371-S375 PolarHBondContact O-OG 3.39Å; N371-W398 HydrophobicContact CB-CH2 3.99Å; N371-W398 HydrophobicContact CB-CZ2 3.52Å; N371-W398 WeakPolarHBondContact OD1-CH2 3.29Å; N371-K401 WeakPolarHBondContact ND2-CE 3.35Å; N371-K401 PolarHBondContact ND2-NZ 3.06Å; N371-K401 PolarHBondContact OD1-NZ 3.33Å; N371-N402 WeakPolarHBondContact CB-OD1 3.25Å
372	L	61.2	Low	57.1	Low	10 Å²	10	38.8 Å²	38.8	5%	0.052	24%	0.235	C	C	.	.	H	α-helix	trans	-63	-45	178.6	-175.3	54.7	0	0	0	112.1	A368 R369 M370 S374 S375 F376 F760	A368-L372 WeakPolarHBondContact O-CB 3.39Å; A368-L372 PolarHBondContact O-N 2.99Å; R369-L372 PolarHBondContact O-N 3.07Å; M370-L372 VanDerWaalsContact C-N 3.33Å; M370-L372 PolarHBondContact O-N 3.27Å; L372-S374 VanDerWaalsContact C-N 3.3Å; L372-S374 PolarHBondContact O-N 2.97Å; L372-S375 WeakPolarHBondContact CA-OG 3.43Å; L372-S375 PolarHBondContact O-N 3.32Å; L372-S375 PolarHBondContact O-OG 2.89Å; L372-F376 HydrophobicContact CD1-CD2 4.09Å; L372-F376 HydrophobicContact CD1-CE2 3.72Å; L372-F376 HydrophobicContact CG-CD2 4.17Å; L372-F376 HydrophobicContact CG-CE2 3.97Å; L372-F376 WeakPolarHBondContact O-CD2 3.27Å; L372-F376 PolarHBondContact O-N 3.12Å; L372-F376 VanDerWaalsContact O-N 3.11Å; L372-F760 HydrophobicContact CB-CE2 4.26Å; L372-F760 HydrophobicContact CD2-CE2 4.27Å; L372-F760 HydrophobicContact CG-CE2 4Å
373	A	61.1	Low	58	Low	1 Å²	1	34.6 Å²	34.6	1%	0.008	19%	0.191	C	C	.	.	H	α-helix	trans	-57.3	-43.7	172.1	0	0	0	0	0	111.4	R369 M370 S375 F376 V377 F760 R763	R369-A373 PolarHBondContact O-N 3.18Å; M370-A373 PolarHBondContact O-N 3.39Å; A373-S375 PolarHBondContact O-N 3.32Å; A373-F376 PolarHBondContact O-N 2.87Å; A373-V377 WeakPolarHBondContact O-CB 3.34Å; A373-V377 WeakPolarHBondContact O-CG2 3.49Å; A373-V377 PolarHBondContact O-N 2.95Å; A373-F760 HydrophobicContact CB-CD2 3.69Å; A373-F760 HydrophobicContact CB-CE2 4.03Å; A373-F760 HydrophobicContact CB-CG 4.47Å; A373-R763 HydrophobicContact CB-CB 4.18Å
374	S	65.2	Low	58.8	Low	19 Å²	19	31.2 Å²	31.2	13%	0.133	17%	0.168	C	C	.	.	H	α-helix	trans	-63.6	-36.3	177.8	-62.8	0	0	0	0	113.1	M370 N371 L372 N378	M370-S374 PolarHBondContact O-N 3.43Å; M370-S374 VanDerWaalsContact O-N 3.11Å; M370-S374 PolarHBondContact O-OG 3.5Å; N371-S374 WeakPolarHBondContact O-CB 3.14Å; N371-S374 PolarHBondContact O-N 3.46Å; L372-S374 VanDerWaalsContact C-N 3.3Å; L372-S374 PolarHBondContact O-N 2.97Å; S374-N378 VanDerWaalsContact O-CB 3.23Å; S374-N378 WeakPolarHBondContact O-CB 3.46Å; S374-N378 PolarHBondContact O-N 2.98Å
375	S	65.6	Low	59.4	Low	1 Å²	1	22.8 Å²	22.8	1%	0.007	13%	0.128	C	C	.	.	H	α-helix	trans	-67.1	-39.9	173.1	35.4	0	0	0	0	113	N371 L372 A373 N378 G379	N371-S375 PolarHBondContact O-N 3.07Å; N371-S375 PolarHBondContact O-OG 3.39Å; L372-S375 WeakPolarHBondContact CA-OG 3.43Å; L372-S375 PolarHBondContact O-N 3.32Å; L372-S375 PolarHBondContact O-OG 2.89Å; A373-S375 PolarHBondContact O-N 3.32Å; S375-N378 PolarHBondContact O-N 3Å; S375-G379 PolarHBondContact O-N 2.87Å
376	F	62.3	Low	59.8	Low	1 Å²	1	21.3 Å²	21.3	0%	0.004	13%	0.125	C	C	.	.	H	α-helix	trans	-63.6	-48.1	172.9	-82	-71.3	0	0	0	111.6	L372 A373 N378 G379 F380 F760 L764 H815 L818 Y819	L372-F376 HydrophobicContact CD1-CD2 4.09Å; L372-F376 HydrophobicContact CD1-CE2 3.72Å; L372-F376 HydrophobicContact CG-CD2 4.17Å; L372-F376 HydrophobicContact CG-CE2 3.97Å; L372-F376 WeakPolarHBondContact O-CD2 3.27Å; L372-F376 PolarHBondContact O-N 3.12Å; L372-F376 VanDerWaalsContact O-N 3.11Å; A373-F376 PolarHBondContact O-N 2.87Å; F376-N378 VanDerWaalsContact C-N 3.31Å; F376-N378 PolarHBondContact O-N 3.28Å; F376-G379 PolarHBondContact O-N 3.34Å; F376-F380 HydrophobicContact CB-CD2 4.31Å; F376-F380 HydrophobicContact CB-CE2 4.11Å; F376-F380 AromaticContact CD1-CE2 3.87Å; F376-F380 HydrophobicContact CD1-CE2 3.87Å; F376-F380 HydrophobicContact CD1-CZ 4.34Å; F376-F380 HydrophobicContact CG-CE2 4.44Å; F376-F380 WeakPolarHBondContact O-CD2 3.45Å; F376-F380 WeakPolarHBondContact O-CG 3.48Å; F376-F380 PolarHBondContact O-N 2.99Å; F376-F760 HydrophobicContact CD2-CZ 4.27Å; F376-F760 HydrophobicContact CE2-CZ 4.44Å; F376-L764 HydrophobicContact CB-CD1 4.08Å; F376-L764 HydrophobicContact CG-CD1 4.37Å; F376-H815 HydrophobicContact CE2-CB 4.11Å; F376-H815 HydrophobicContact CZ-CB 3.87Å; F376-L818 HydrophobicContact CE1-CB 4.21Å; F376-L818 HydrophobicContact CE1-CD1 4.12Å; F376-L818 HydrophobicContact CZ-CD1 4.2Å; F376-Y819 HydrophobicContact CD1-CE1 4.16Å; F376-Y819 AromaticContact CE1-CE1 3.79Å; F376-Y819 HydrophobicContact CE1-CE1 3.79Å; F376-Y819 AromaticContact CE1-CE2 3.93Å; F376-Y819 HydrophobicContact CE1-CE2 3.93Å; F376-Y819 AromaticContact CE1-CZ 3.38Å; F376-Y819 WeakPolarHBondContact CE1-OH 3.46Å; F376-Y819 HydrophobicContact CZ-CE2 4.32Å
377	V	63.7	Low	60	Low	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-60.3	-40.5	178.3	170.7	0	0	0	0	111.8	P345 I348 Y349 A373 F380 V381 R763	P345-V377 HydrophobicContact CB-CG1 3.95Å; P345-V377 HydrophobicContact CG-CG1 4.3Å; I348-V377 HydrophobicContact CD1-CG1 3.75Å; Y349-V377 HydrophobicContact CE1-CG1 4.3Å; Y349-V377 HydrophobicContact CE1-CG2 4.3Å; A373-V377 WeakPolarHBondContact O-CB 3.34Å; A373-V377 WeakPolarHBondContact O-CG2 3.49Å; A373-V377 PolarHBondContact O-N 2.95Å; V377-F380 PolarHBondContact O-N 3.32Å; V377-V381 WeakPolarHBondContact O-CB 3.43Å; V377-V381 WeakPolarHBondContact O-CG1 3.34Å; V377-V381 PolarHBondContact O-N 3.25Å; V377-R763 HydrophobicContact CG2-CB 4.4Å; V377-R763 WeakPolarHBondContact CG2-O 3.21Å
378	N	64.4	Low	59.8	Low	4 Å²	4	22 Å²	22	2%	0.021	12%	0.119	C	C	.	.	H	α-helix	trans	-64.4	-47.8	176.6	-169.4	20.1	0	0	0	112	P345 S374 S375 F376 F380 V381 N382 D388 L391	P345-N378 HydrophobicContact CG-CB 3.9Å; S374-N378 VanDerWaalsContact O-CB 3.23Å; S374-N378 WeakPolarHBondContact O-CB 3.46Å; S374-N378 PolarHBondContact O-N 2.98Å; S375-N378 PolarHBondContact O-N 3Å; F376-N378 VanDerWaalsContact C-N 3.31Å; F376-N378 PolarHBondContact O-N 3.28Å; N378-F380 PolarHBondContact O-N 3.36Å; N378-V381 WeakPolarHBondContact O-CG1 3.42Å; N378-V381 PolarHBondContact O-N 3.41Å; N378-N382 PolarHBondContact O-N 3.37Å; N378-N382 PolarHBondContact OD1-ND2 2.89Å; N378-D388 PolarHBondContact ND2-OD2 3.15Å; N378-D388 PolarHBondContact OD1-OD1 2.81Å; N378-L391 WeakPolarHBondContact ND2-CD1 3.45Å
379	G	61.3	Low	59.4	Low	0 Å²	0	26 Å²	26	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-59.3	-43.5	175.7	0	0	0	0	0	112.6	S375 F376 A383 M416	S375-G379 PolarHBondContact O-N 2.87Å; F376-G379 PolarHBondContact O-N 3.34Å; G379-A383 WeakPolarHBondContact O-CA 3.23Å; G379-A383 WeakPolarHBondContact O-CB 3.4Å; G379-A383 PolarHBondContact O-N 3.42Å; G379-M416 VanDerWaalsContact C-CE 3.42Å
380	F	63.1	Low	59.2	Low	1 Å²	1	25.1 Å²	25.1	0%	0.004	13%	0.129	C	C	.	.	H	α-helix	trans	-71.9	-38.8	-179.5	-70.5	-54	0	0	0	113.1	F376 V377 N378 M416 L764 L768 L771 G772 L821	F376-F380 HydrophobicContact CB-CD2 4.31Å; F376-F380 HydrophobicContact CB-CE2 4.11Å; F376-F380 AromaticContact CD1-CE2 3.87Å; F376-F380 HydrophobicContact CD1-CE2 3.87Å; F376-F380 HydrophobicContact CD1-CZ 4.34Å; F376-F380 HydrophobicContact CG-CE2 4.44Å; F376-F380 WeakPolarHBondContact O-CD2 3.45Å; F376-F380 WeakPolarHBondContact O-CG 3.48Å; F376-F380 PolarHBondContact O-N 2.99Å; V377-F380 PolarHBondContact O-N 3.32Å; N378-F380 PolarHBondContact O-N 3.36Å; F380-M416 HydrophobicContact CD1-CE 3.61Å; F380-M416 HydrophobicContact CD1-SD 3.96Å; F380-M416 HydrophobicContact CD2-CE 4.46Å; F380-M416 HydrophobicContact CE1-CE 3.68Å; F380-M416 HydrophobicContact CE1-SD 3.65Å; F380-M416 HydrophobicContact CE2-CE 4.49Å; F380-M416 HydrophobicContact CG-CE 4.02Å; F380-M416 HydrophobicContact CZ-CE 4.13Å; F380-M416 HydrophobicContact CZ-SD 4.36Å; F380-L764 HydrophobicContact CD2-CD1 4.26Å; F380-L764 HydrophobicContact CE2-CD1 3.64Å; F380-L768 HydrophobicContact CD1-CD2 4.18Å; F380-L768 HydrophobicContact CD2-CD2 4.29Å; F380-L768 HydrophobicContact CE1-CD2 4.18Å; F380-L768 HydrophobicContact CE2-CD2 4.31Å; F380-L768 HydrophobicContact CG-CD2 4.24Å; F380-L768 HydrophobicContact CZ-CD2 4.26Å; F380-L771 HydrophobicContact CB-CD1 3.91Å; F380-L771 HydrophobicContact CD1-CD1 3.59Å; F380-L771 HydrophobicContact CG-CD1 4.13Å; F380-L771 WeakPolarHBondContact O-CA 3.43Å; F380-G772 PolarHBondContact O-N 2.91Å; F380-L821 HydrophobicContact CE1-CD2 4.4Å
381	V	59.3	Low	58.8	Low	1 Å²	1	22.1 Å²	22.1	1%	0.006	11%	0.114	C	C	.	.	H	α-helix	trans	-72.9	-41.6	-179.9	72.6	0	0	0	0	112.4	K343 I348 V377 N378 A383 H770 G772 K773	K343-V381 HydrophobicContact CB-CG2 4.34Å; I348-V381 HydrophobicContact CD1-CB 3.71Å; I348-V381 HydrophobicContact CD1-CG1 3.86Å; I348-V381 HydrophobicContact CD1-CG2 3.69Å; V377-V381 WeakPolarHBondContact O-CB 3.43Å; V377-V381 WeakPolarHBondContact O-CG1 3.34Å; V377-V381 PolarHBondContact O-N 3.25Å; N378-V381 WeakPolarHBondContact O-CG1 3.42Å; N378-V381 PolarHBondContact O-N 3.41Å; V381-A383 VanDerWaalsContact C-N 3.34Å; V381-H770 HydrophobicContact CG2-CB 4.37Å; V381-G772 CarbonylContact O-C 3.6Å; V381-K773 HydrophobicContact CG2-CG 4.15Å; V381-K773 VanDerWaalsContact O-CG 3.3Å; V381-K773 WeakPolarHBondContact O-CG 3.26Å; V381-K773 PolarHBondContact O-N 2.89Å; V381-K773 VanDerWaalsContact O-N 3.12Å
382	N	59.6	Low	58.2	Low	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	17.7	-176.3	-65.5	-47.2	0	0	0	112.7	K343 N378 A384 F385 I417 K773	K343-N382 PolarHBondContact N-OD1 3.45Å; K343-N382 PolarHBondContact O-ND2 3.36Å; K343-N382 VanDerWaalsContact O-ND2 3.09Å; N378-N382 PolarHBondContact O-N 3.37Å; N378-N382 PolarHBondContact OD1-ND2 2.89Å; N382-A384 PolarHBondContact O-N 3.04Å; N382-F385 PolarHBondContact O-N 2.95Å; N382-I417 HydrophobicContact CB-CG1 4.48Å; N382-K773 VanDerWaalsContact OD1-CE 3.27Å; N382-K773 WeakPolarHBondContact OD1-CE 2.83Å
383	A	58.6	Low	57.8	Low	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	131.5	178.8	0	0	0	0	0	112.5	G379 V381 F385 M416 L776 M825	G379-A383 WeakPolarHBondContact O-CA 3.23Å; G379-A383 WeakPolarHBondContact O-CB 3.4Å; G379-A383 PolarHBondContact O-N 3.42Å; V381-A383 VanDerWaalsContact C-N 3.34Å; A383-F385 WeakPolarHBondContact O-CD2 3.45Å; A383-F385 WeakPolarHBondContact O-CE2 3.48Å; A383-F385 PolarHBondContact O-N 3.4Å; A383-M416 CarbonylContact C-O 3.37Å; A383-M416 WeakPolarHBondContact CA-O 3.16Å; A383-L776 HydrophobicContact CB-CD1 3.82Å; A383-M825 HydrophobicContact CB-CE 3.81Å
384	A	56.7	Low	57.4	Low	5 Å²	5	34.9 Å²	34.9	4%	0.041	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	15.7	-176.1	0	0	0	0	0	116.5	F330 N382 M416 I417 L419	F330-A384 HydrophobicContact CD1-CB 4Å; F330-A384 HydrophobicContact CE1-CB 3.56Å; F330-A384 WeakPolarHBondContact CE1-O 3.49Å; F330-A384 HydrophobicContact CZ-CB 4.15Å; N382-A384 PolarHBondContact O-N 3.04Å; A384-M416 PolarHBondContact N-O 3.27Å; A384-I417 PolarHBondContact N-O 3.05Å; A384-L419 HydrophobicContact CB-CB 4.23Å
385	F	54.1	Low	56.8	Low	21 Å²	21	34 Å²	34	9%	0.092	18%	0.179	C	C	.	.	S	Bend	trans	-96.9	-1.5	175.1	-72.4	-85.6	0	0	0	114.3	F330 A334 I339 N382 A383 Q387 I417 G772 K773 T775	F330-F385 HydrophobicContact CE1-CE1 4.47Å; F330-F385 HydrophobicContact CE1-CE2 4.26Å; F330-F385 HydrophobicContact CE1-CZ 4.2Å; F330-F385 HydrophobicContact CZ-CE2 4.14Å; F330-F385 HydrophobicContact CZ-CZ 4.08Å; A334-F385 HydrophobicContact CB-CD1 3.99Å; A334-F385 HydrophobicContact CB-CE1 3.58Å; I339-F385 HydrophobicContact CG2-CE1 3.65Å; I339-F385 HydrophobicContact CG2-CZ 3.69Å; N382-F385 PolarHBondContact O-N 2.95Å; A383-F385 WeakPolarHBondContact O-CD2 3.45Å; A383-F385 WeakPolarHBondContact O-CE2 3.48Å; A383-F385 PolarHBondContact O-N 3.4Å; F385-Q387 PolarHBondContact O-N 3.34Å; F385-I417 PolarHBondContact N-O 3.17Å; F385-G772 WeakPolarHBondContact CE2-O 3.43Å; F385-K773 HydrophobicContact CD1-CD 4.41Å; F385-K773 HydrophobicContact CD2-CD 4.16Å; F385-K773 HydrophobicContact CD2-CG 4.39Å; F385-K773 HydrophobicContact CE1-CD 4.15Å; F385-K773 HydrophobicContact CE2-CB 4.37Å; F385-K773 HydrophobicContact CE2-CD 3.92Å; F385-K773 HydrophobicContact CE2-CG 3.95Å; F385-K773 HydrophobicContact CG-CD 4.43Å; F385-K773 HydrophobicContact CZ-CB 4.41Å; F385-K773 HydrophobicContact CZ-CD 3.91Å; F385-K773 HydrophobicContact CZ-CG 4.26Å; F385-T775 HydrophobicContact CZ-CG2 4.35Å
386	G	53.9	Low	56.5	Low	27 Å²	27	38.2 Å²	38.2	28%	0.278	20%	0.202	S	C	.	.	S	Bend	trans	70.2	-15.3	167.7	0	0	0	0	0	117.4	I417	G386-I417 PolarHBondContact N-O 3.12Å
387	Q	50.4	Low	56.4	Low	153 Å²	153	45.4 Å²	45.4	72%	0.715	23%	0.233	S	C	*	.			trans	-140.8	136.2	178	-63.5	-172.6	6.2	0	0	112.4	F385	F385-Q387 PolarHBondContact O-N 3.34Å
388	D	53.7	Low	56.3	Low	6 Å²	6	48.6 Å²	48.6	3%	0.032	25%	0.245	C	C	.	.			trans	-142.8	135.4	170.8	164.2	48.2	0	0	0	111	N378 L390 L391 T392 I417	N378-D388 PolarHBondContact ND2-OD2 3.15Å; N378-D388 PolarHBondContact OD1-OD1 2.81Å; D388-L390 VanDerWaalsContact C-N 3.33Å; D388-L390 VanDerWaalsContact CG-N 3.34Å; D388-L390 PolarHBondContact O-N 3.45Å; D388-L390 PolarHBondContact OD1-N 3.09Å; D388-L390 VanDerWaalsContact OD1-N 3.1Å; D388-L390 WeakPolarHBondContact OD2-CA 3.41Å; D388-L390 WeakPolarHBondContact OD2-CB 3.38Å; D388-L390 PolarHBondContact OD2-N 2.8Å; D388-L390 VanDerWaalsContact OD2-N 3.16Å; D388-L391 WeakPolarHBondContact OD2-CB 3.28Å; D388-L391 PolarHBondContact OD2-N 2.69Å; D388-T392 PolarHBondContact O-N 2.96Å; D388-T392 PolarHBondContact O-OG1 2.95Å; D388-I417 HydrophobicContact CB-CD1 4.18Å; D388-I417 HydrophobicContact CB-CG2 4.42Å
389	K	49.8	Very low	56.2	Low	133 Å²	133	48.7 Å²	48.7	58%	0.578	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-17.6	-177.9	-65.1	170.9	-178.2	165.7	0	113.6	P342	P342-K389 HydrophobicContact CG-CD 4.06Å; P342-K389 HydrophobicContact CG-CG 4.1Å
390	L	51.6	Low	56.4	Low	68 Å²	68	54.4 Å²	54.4	36%	0.356	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-44.4	-179.8	-87.5	167.1	0	0	0	113	V344 P345 D388 D394 G395	V344-L390 HydrophobicContact CG1-CD1 3.98Å; P345-L390 HydrophobicContact CG-CD1 4.22Å; D388-L390 VanDerWaalsContact C-N 3.33Å; D388-L390 VanDerWaalsContact CG-N 3.34Å; D388-L390 PolarHBondContact O-N 3.45Å; D388-L390 PolarHBondContact OD1-N 3.09Å; D388-L390 VanDerWaalsContact OD1-N 3.1Å; D388-L390 WeakPolarHBondContact OD2-CA 3.41Å; D388-L390 WeakPolarHBondContact OD2-CB 3.38Å; D388-L390 PolarHBondContact OD2-N 2.8Å; D388-L390 VanDerWaalsContact OD2-N 3.16Å; L390-D394 CarbonylContact O-C 3.59Å; L390-G395 WeakPolarHBondContact O-CA 3.26Å; L390-G395 PolarHBondContact O-N 3.07Å
391	L	54.2	Low	56.5	Low	7 Å²	7	59.1 Å²	59.1	4%	0.037	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-24.6	-171.2	-79.4	169.1	0	0	0	115.1	N378 D388 G395 L414 I417	N378-L391 WeakPolarHBondContact ND2-CD1 3.45Å; D388-L391 WeakPolarHBondContact OD2-CB 3.28Å; D388-L391 PolarHBondContact OD2-N 2.69Å; L391-G395 VanDerWaalsContact O-CA 3.3Å; L391-G395 WeakPolarHBondContact O-CA 3.27Å; L391-L414 HydrophobicContact CB-CD2 3.85Å; L391-L414 HydrophobicContact CD1-CD2 4.34Å; L391-L414 HydrophobicContact CG-CD2 4.49Å; L391-I417 HydrophobicContact CD1-CD1 3.65Å
392	T	52.8	Low	56.7	Low	73 Å²	73	59.2 Å²	59.2	45%	0.448	29%	0.289	S	S	.	.	S	Bend	trans	-83.8	-45.7	176.2	67.7	0	0	0	0	112.4	D388	D388-T392 PolarHBondContact O-N 2.96Å; D388-T392 PolarHBondContact O-OG1 2.95Å
393	D	52.8	Low	57	Low	134 Å²	134	66.9 Å²	66.9	72%	0.717	32%	0.322	S	S	*	.	S	Bend	trans	-89.6	-39.4	-170.8	-70.4	-14.6	0	0	0	113.8
394	D	51.8	Low	57.6	Low	78 Å²	78	70.9 Å²	70.9	42%	0.417	34%	0.344	S	S	.	.	S	Bend	trans	-115.6	-3.4	178.5	-145.4	-5.2	0	0	0	113.5	L390 N396 K397 W398	L390-D394 CarbonylContact O-C 3.59Å; D394-N396 PolarHBondContact O-N 3.03Å; D394-N396 VanDerWaalsContact O-N 3.1Å; D394-K397 PolarHBondContact O-N 2.8Å; D394-K397 VanDerWaalsContact OD1-CD 3.24Å; D394-K397 WeakPolarHBondContact OD1-CD 3.49Å; D394-K397 WeakPolarHBondContact OD1-CE 3.46Å; D394-K397 WeakPolarHBondContact OD1-CG 3.42Å; D394-K397 IonicContact OD1-NZ 3.3Å; D394-K397 PolarHBondContact OD1-NZ 2.77Å; D394-K397 IonicContact OD2-NZ 2.68Å; D394-W398 PolarHBondContact O-N 3.31Å
395	G	52.8	Low	58	Low	1 Å²	1	72.8 Å²	72.8	1%	0.01	35%	0.352	C	S	.	.	H	α-helix	trans	-61.6	-26.2	-171.5	0	0	0	0	0	114.5	L390 L391 K397 W398 L399	L390-G395 WeakPolarHBondContact O-CA 3.26Å; L390-G395 PolarHBondContact O-N 3.07Å; L391-G395 VanDerWaalsContact O-CA 3.3Å; L391-G395 WeakPolarHBondContact O-CA 3.27Å; G395-K397 VanDerWaalsContact C-N 3.31Å; G395-K397 PolarHBondContact O-N 3.45Å; G395-W398 PolarHBondContact O-N 2.98Å; G395-W398 VanDerWaalsContact O-N 3.16Å; G395-L399 VanDerWaalsContact O-CB 3.23Å; G395-L399 WeakPolarHBondContact O-CB 2.98Å; G395-L399 PolarHBondContact O-N 3.47Å
396	N	58.8	Low	58.3	Low	90 Å²	90	72.1 Å²	72.1	48%	0.481	35%	0.351	S	S	.	.	H	α-helix	trans	-64.9	-36	175.2	-144.9	-10.2	0	0	0	111.3	D394 Y400	D394-N396 PolarHBondContact O-N 3.03Å; D394-N396 VanDerWaalsContact O-N 3.1Å; N396-Y400 WeakPolarHBondContact O-CD2 3.41Å; N396-Y400 VanDerWaalsContact OD1-CE2 3.24Å; N396-Y400 WeakPolarHBondContact OD1-CE2 3.11Å
397	K	60.3	Low	59.1	Low	151 Å²	151	71.4 Å²	71.4	66%	0.657	34%	0.34	S	S	*	.	H	α-helix	trans	-73.6	-33.2	172.4	-53.1	-165.5	-160.4	85.2	0	111.9	D394 G395 K401	D394-K397 PolarHBondContact O-N 2.8Å; D394-K397 VanDerWaalsContact OD1-CD 3.24Å; D394-K397 WeakPolarHBondContact OD1-CD 3.49Å; D394-K397 WeakPolarHBondContact OD1-CE 3.46Å; D394-K397 WeakPolarHBondContact OD1-CG 3.42Å; D394-K397 IonicContact OD1-NZ 3.3Å; D394-K397 PolarHBondContact OD1-NZ 2.77Å; D394-K397 IonicContact OD2-NZ 2.68Å; G395-K397 VanDerWaalsContact C-N 3.31Å; G395-K397 PolarHBondContact O-N 3.45Å; K397-K401 WeakPolarHBondContact O-CB 3.48Å; K397-K401 PolarHBondContact O-N 3.24Å
398	W	61.8	Low	60.1	Low	68 Å²	68	64.3 Å²	64.3	26%	0.258	31%	0.307	S	S	.	.	H	α-helix	trans	-72.2	-37.8	179	-169.2	-102.6	0	0	0	112.8	N371 D394 G395 K401 N402	N371-W398 HydrophobicContact CB-CH2 3.99Å; N371-W398 HydrophobicContact CB-CZ2 3.52Å; N371-W398 WeakPolarHBondContact OD1-CH2 3.29Å; D394-W398 PolarHBondContact O-N 3.31Å; G395-W398 PolarHBondContact O-N 2.98Å; G395-W398 VanDerWaalsContact O-N 3.16Å; W398-K401 HydrophobicContact CE3-CD 3.98Å; W398-K401 HydrophobicContact CZ3-CD 4.11Å; W398-K401 VanDerWaalsContact CZ3-NZ 3.27Å; W398-K401 WeakPolarHBondContact O-CB 3.29Å; W398-K401 PolarHBondContact O-N 3.36Å; W398-N402 PolarHBondContact O-N 3.05Å
399	L	62.8	Low	60.7	Low	6 Å²	6	64 Å²	64	3%	0.031	31%	0.306	C	S	.	.	H	α-helix	trans	-59.1	-57.7	177.1	-176	60	0	0	0	110.4	G395 K401 N402 M407 A410 Y432 I440	G395-L399 VanDerWaalsContact O-CB 3.23Å; G395-L399 WeakPolarHBondContact O-CB 2.98Å; G395-L399 PolarHBondContact O-N 3.47Å; L399-K401 PolarHBondContact O-N 3.22Å; L399-K401 VanDerWaalsContact O-N 3.09Å; L399-N402 PolarHBondContact O-N 3.26Å; L399-M407 HydrophobicContact CD1-CB 4.08Å; L399-M407 VanDerWaalsContact CD1-O 3.29Å; L399-M407 WeakPolarHBondContact CD1-O 3.35Å; L399-M407 WeakPolarHBondContact O-CG 3.38Å; L399-M407 VanDerWaalsContact O-SD 3.36Å; L399-A410 HydrophobicContact CD1-CB 3.72Å; L399-Y432 HydrophobicContact CD2-CD1 4.04Å; L399-Y432 HydrophobicContact CD2-CE1 4.47Å; L399-I440 HydrophobicContact CD1-CG1 4.36Å; L399-I440 HydrophobicContact CD2-CD1 3.83Å; L399-I440 HydrophobicContact CD2-CG1 4.13Å; L399-I440 HydrophobicContact CD2-CG2 4Å; L399-I440 HydrophobicContact CG-CD1 4.01Å; L399-I440 HydrophobicContact CG-CG1 4.25Å
400	Y	66	Low	61.6	Low	119 Å²	119	57.8 Å²	57.8	47%	0.467	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-4.4	176	-61.7	-59	0	0	0	115	N396 M407 S435 I440	N396-Y400 WeakPolarHBondContact O-CD2 3.41Å; N396-Y400 VanDerWaalsContact OD1-CE2 3.24Å; N396-Y400 WeakPolarHBondContact OD1-CE2 3.11Å; Y400-M407 HydrophobicContact CD1-SD 4.43Å; Y400-S435 PolarHBondContact OH-OG 3.02Å; Y400-I440 HydrophobicContact CD1-CD1 4.21Å; Y400-I440 HydrophobicContact CE1-CD1 3.58Å
401	K	65.3	Low	62.6	Low	100 Å²	100	54.6 Å²	54.6	44%	0.435	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-22.8	172.1	-169.9	-166.1	176.6	-150.1	0	111.8	N371 K397 W398 L399	N371-K401 WeakPolarHBondContact ND2-CE 3.35Å; N371-K401 PolarHBondContact ND2-NZ 3.06Å; N371-K401 PolarHBondContact OD1-NZ 3.33Å; K397-K401 WeakPolarHBondContact O-CB 3.48Å; K397-K401 PolarHBondContact O-N 3.24Å; W398-K401 HydrophobicContact CE3-CD 3.98Å; W398-K401 HydrophobicContact CZ3-CD 4.11Å; W398-K401 VanDerWaalsContact CZ3-NZ 3.27Å; W398-K401 WeakPolarHBondContact O-CB 3.29Å; W398-K401 PolarHBondContact O-N 3.36Å; L399-K401 PolarHBondContact O-N 3.22Å; L399-K401 VanDerWaalsContact O-N 3.09Å
402	N	62.8	Low	63.3	Low	4 Å²	4	54.3 Å²	54.3	2%	0.021	26%	0.261	C	S	.	.	S	Bend	trans	-80.6	171.3	169.5	-70.8	-8.6	0	0	0	110.1	N371 W398 L399 G406 M407	N371-N402 WeakPolarHBondContact CB-OD1 3.25Å; W398-N402 PolarHBondContact O-N 3.05Å; L399-N402 PolarHBondContact O-N 3.26Å; N402-G406 WeakPolarHBondContact CB-O 3.2Å; N402-G406 PolarHBondContact ND2-O 3.46Å; N402-M407 HydrophobicContact CB-CG 3.99Å
403	K	65.3	Low	64	Low	161 Å²	161	50.8 Å²	50.8	70%	0.7	24%	0.239	S	C	*	.			trans	-128.2	142.5	176.6	-74.4	-162.3	171.3	-163.8	0	111.8	H405 G406	K403-H405 PolarHBondContact O-N 3.46Å; K403-G406 PolarHBondContact O-N 2.72Å
404	D	71.1	Confident	64.7	Low	83 Å²	83	45 Å²	45	44%	0.444	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	46	-104.1	172.2	-44.4	-47.4	0	0	0	111.8	G406 M407 L408 Y439	D404-G406 VanDerWaalsContact C-N 3.26Å; D404-G406 PolarHBondContact O-N 2.77Å; D404-M407 WeakPolarHBondContact O-CB 3.42Å; D404-M407 PolarHBondContact O-N 3.43Å; D404-L408 PolarHBondContact O-N 2.94Å; D404-Y439 HydrophobicContact CB-CD2 4.46Å; D404-Y439 HydrophobicContact CB-CE1 4.34Å; D404-Y439 HydrophobicContact CB-CE2 3.99Å
405	H	66.1	Low	65.4	Low	45 Å²	45	41.3 Å²	41.3	21%	0.208	19%	0.189	C	C	.	.	H	α-helix	trans	-68.6	-23.6	-176.8	-62.5	70.2	0	0	0	113.3	K403 M407 S409 Y439 K813 Y816	K403-H405 PolarHBondContact O-N 3.46Å; H405-M407 VanDerWaalsContact C-N 3.28Å; H405-M407 PolarHBondContact O-N 2.77Å; H405-S409 WeakPolarHBondContact O-CB 3.46Å; H405-S409 PolarHBondContact O-N 3.31Å; H405-S409 VanDerWaalsContact O-N 3.09Å; H405-S409 PolarHBondContact O-OG 3.26Å; H405-Y439 AromaticContact CE1-CE1 3.78Å; H405-Y439 AromaticContact ND1-CE1 3.95Å; H405-K813 PolarHBondContact CD2-O 2.83Å; H405-Y816 WeakPolarHBondContact CA-OH 3.04Å; H405-Y816 WeakPolarHBondContact CB-OH 2.98Å; H405-Y816 PolarHBondContact CD2-OH 3.03Å; H405-Y816 VanDerWaalsContact CD2-OH 3.3Å; H405-Y816 PolarHBondContact O-OH 2.73Å
406	G	61.2	Low	66.1	Low	7 Å²	7	41.3 Å²	41.3	7%	0.072	19%	0.188	C	C	.	.	H	α-helix	trans	-73.6	-16.7	171.3	0	0	0	0	0	114.1	N402 K403 D404 A410	N402-G406 WeakPolarHBondContact CB-O 3.2Å; N402-G406 PolarHBondContact ND2-O 3.46Å; K403-G406 PolarHBondContact O-N 2.72Å; D404-G406 VanDerWaalsContact C-N 3.26Å; D404-G406 PolarHBondContact O-N 2.77Å; G406-A410 WeakPolarHBondContact O-CB 3.48Å; G406-A410 PolarHBondContact O-N 3.01Å
407	M	70.4	Confident	66.6	Low	13 Å²	13	37.2 Å²	37.2	6%	0.064	17%	0.166	C	C	.	.	H	α-helix	trans	-86.1	-44.8	175.3	-60.2	-156.5	-90.5	0	0	111.2	L399 Y400 N402 D404 H405 S409 A410 A411 E437 I440	L399-M407 HydrophobicContact CD1-CB 4.08Å; L399-M407 VanDerWaalsContact CD1-O 3.29Å; L399-M407 WeakPolarHBondContact CD1-O 3.35Å; L399-M407 WeakPolarHBondContact O-CG 3.38Å; L399-M407 VanDerWaalsContact O-SD 3.36Å; Y400-M407 HydrophobicContact CD1-SD 4.43Å; N402-M407 HydrophobicContact CB-CG 3.99Å; D404-M407 WeakPolarHBondContact O-CB 3.42Å; D404-M407 PolarHBondContact O-N 3.43Å; H405-M407 VanDerWaalsContact C-N 3.28Å; H405-M407 PolarHBondContact O-N 2.77Å; M407-S409 VanDerWaalsContact C-N 3.26Å; M407-S409 PolarHBondContact O-N 2.92Å; M407-A410 PolarHBondContact O-N 3.17Å; M407-A411 PolarHBondContact O-N 2.72Å; M407-E437 WeakPolarHBondContact CE-OE2 3.5Å; M407-I440 HydrophobicContact CB-CG1 4.17Å
408	L	70.6	Confident	66.9	Low	4 Å²	4	30.7 Å²	30.7	2%	0.021	14%	0.138	C	C	.	.	H	α-helix	trans	-56.9	-41.6	170.4	-157.2	166.7	0	0	0	110.5	D404 A411 A412 Y439 S442 G443 L446 Y816	D404-L408 PolarHBondContact O-N 2.94Å; L408-A411 PolarHBondContact O-N 2.99Å; L408-A412 WeakPolarHBondContact O-CB 3.47Å; L408-A412 PolarHBondContact O-N 3.19Å; L408-Y439 WeakPolarHBondContact CA-O 3.48Å; L408-Y439 HydrophobicContact CB-CD1 4.39Å; L408-Y439 WeakPolarHBondContact CB-O 3.41Å; L408-Y439 HydrophobicContact CD1-CD1 4.13Å; L408-Y439 VanDerWaalsContact CG-O 3.26Å; L408-Y439 WeakPolarHBondContact CG-O 3.39Å; L408-S442 VanDerWaalsContact CD1-CB 3.47Å; L408-G443 VanDerWaalsContact CD2-CA 3.46Å; L408-L446 HydrophobicContact CD2-CD2 4.43Å; L408-Y816 HydrophobicContact CB-CE1 3.7Å; L408-Y816 WeakPolarHBondContact CB-OH 3.4Å; L408-Y816 HydrophobicContact CD1-CE1 4.26Å; L408-Y816 HydrophobicContact CD1-CE2 3.99Å; L408-Y816 HydrophobicContact CD2-CD1 3.54Å; L408-Y816 HydrophobicContact CD2-CD2 4.34Å; L408-Y816 HydrophobicContact CD2-CE1 3.38Å; L408-Y816 HydrophobicContact CD2-CE2 4.18Å; L408-Y816 HydrophobicContact CD2-CG 4.05Å; L408-Y816 HydrophobicContact CG-CE1 3.91Å
409	S	65.8	Low	67	Low	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-65.4	-44.8	176.8	-56.5	0	0	0	0	112.6	H405 M407 A411 A412 S413 Y816 Y819	H405-S409 WeakPolarHBondContact O-CB 3.46Å; H405-S409 PolarHBondContact O-N 3.31Å; H405-S409 VanDerWaalsContact O-N 3.09Å; H405-S409 PolarHBondContact O-OG 3.26Å; M407-S409 VanDerWaalsContact C-N 3.26Å; M407-S409 PolarHBondContact O-N 2.92Å; S409-A411 VanDerWaalsContact C-N 3.34Å; S409-A411 PolarHBondContact O-N 3Å; S409-A412 PolarHBondContact O-N 3.14Å; S409-S413 WeakPolarHBondContact O-CB 3.27Å; S409-S413 PolarHBondContact O-N 3.01Å; S409-Y816 VanDerWaalsContact OG-CE1 3.29Å; S409-Y816 WeakPolarHBondContact OG-CE1 3.34Å; S409-Y819 PolarHBondContact O-OH 3.01Å
410	A	70.1	Confident	67.1	Low	2 Å²	2	29 Å²	29	2%	0.017	13%	0.132	C	C	.	.	H	α-helix	trans	-64.8	-38.6	178.1	0	0	0	0	0	111.8	L399 G406 M407 S413	L399-A410 HydrophobicContact CD1-CB 3.72Å; G406-A410 WeakPolarHBondContact O-CB 3.48Å; G406-A410 PolarHBondContact O-N 3.01Å; M407-A410 PolarHBondContact O-N 3.17Å; A410-S413 PolarHBondContact O-N 2.98Å; A410-S413 PolarHBondContact O-OG 3.13Å
411	A	71.4	Confident	67.1	Low	1 Å²	1	25.3 Å²	25.3	1%	0.008	12%	0.12	C	C	.	.	H	α-helix	trans	-64.9	-46.7	172.9	0	0	0	0	0	112.3	M407 L408 S409 S413 L414	M407-A411 PolarHBondContact O-N 2.72Å; L408-A411 PolarHBondContact O-N 2.99Å; S409-A411 VanDerWaalsContact C-N 3.34Å; S409-A411 PolarHBondContact O-N 3Å; A411-S413 VanDerWaalsContact C-N 3.26Å; A411-S413 PolarHBondContact O-N 2.98Å; A411-L414 VanDerWaalsContact O-CB 3.26Å; A411-L414 WeakPolarHBondContact O-CB 3.45Å; A411-L414 WeakPolarHBondContact O-CG 3.43Å; A411-L414 PolarHBondContact O-N 3.15Å; A411-L414 VanDerWaalsContact O-N 3.1Å
412	A	69.6	Low	66.9	Low	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-61.7	-31.5	176.2	0	0	0	0	0	113	L408 S409 L414 G415 G443 L446 Y819	L408-A412 WeakPolarHBondContact O-CB 3.47Å; L408-A412 PolarHBondContact O-N 3.19Å; S409-A412 PolarHBondContact O-N 3.14Å; A412-L414 PolarHBondContact O-N 2.7Å; A412-G415 PolarHBondContact O-N 3.07Å; A412-G443 WeakPolarHBondContact CA-O 3.27Å; A412-G443 PolarHBondContact N-O 2.93Å; A412-L446 HydrophobicContact CB-CD2 4.05Å; A412-L446 HydrophobicContact CB-CG 4.3Å; A412-Y819 HydrophobicContact CB-CD2 3.89Å; A412-Y819 HydrophobicContact CB-CE2 3.4Å
413	S	67.5	Low	66.9	Low	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-64.4	-21.3	175.6	75.2	0	0	0	0	114.3	S409 A410 A411 G415 M416 I417	S409-S413 WeakPolarHBondContact O-CB 3.27Å; S409-S413 PolarHBondContact O-N 3.01Å; A410-S413 PolarHBondContact O-N 2.98Å; A410-S413 PolarHBondContact O-OG 3.13Å; A411-S413 VanDerWaalsContact C-N 3.26Å; A411-S413 PolarHBondContact O-N 2.98Å; S413-G415 VanDerWaalsContact C-N 3.33Å; S413-M416 PolarHBondContact O-N 3Å; S413-I417 PolarHBondContact O-N 2.77Å
414	L	67.6	Low	67	Low	13 Å²	13	20.9 Å²	20.9	7%	0.068	12%	0.115	C	C	.	.	H	α-helix	trans	-63.7	-40.4	170.4	-61	169.8	0	0	0	111.1	L391 A411 A412 M416 I417 L418 Y432	L391-L414 HydrophobicContact CB-CD2 3.85Å; L391-L414 HydrophobicContact CD1-CD2 4.34Å; L391-L414 HydrophobicContact CG-CD2 4.49Å; A411-L414 VanDerWaalsContact O-CB 3.26Å; A411-L414 WeakPolarHBondContact O-CB 3.45Å; A411-L414 WeakPolarHBondContact O-CG 3.43Å; A411-L414 PolarHBondContact O-N 3.15Å; A411-L414 VanDerWaalsContact O-N 3.1Å; A412-L414 PolarHBondContact O-N 2.7Å; L414-M416 PolarHBondContact O-N 3.12Å; L414-I417 PolarHBondContact O-N 2.9Å; L414-L418 VanDerWaalsContact O-CD1 3.29Å; L414-L418 WeakPolarHBondContact O-CD1 3.41Å; L414-L418 PolarHBondContact O-N 3.19Å; L414-L418 VanDerWaalsContact O-N 3.08Å; L414-Y432 HydrophobicContact CD1-CD1 4.27Å; L414-Y432 HydrophobicContact CD1-CD2 3.66Å; L414-Y432 HydrophobicContact CD1-CE1 4.17Å; L414-Y432 HydrophobicContact CD1-CE2 3.56Å; L414-Y432 HydrophobicContact CD1-CG 4.03Å
415	G	66.8	Low	66.8	Low	0 Å²	0	17 Å²	17	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-59.7	-35.2	179	0	0	0	0	0	112.8	A412 S413 L418 L419 I450	A412-G415 PolarHBondContact O-N 3.07Å; S413-G415 VanDerWaalsContact C-N 3.33Å; G415-L418 CarbonylContact O-C 3.54Å; G415-L419 WeakPolarHBondContact O-CA 3.47Å; G415-L419 PolarHBondContact O-N 3.46Å; G415-I450 WeakPolarHBondContact O-CG2 3.32Å
416	M	66.1	Low	67	Low	0 Å²	0	16 Å²	16	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-71.8	-33.4	175.3	-61.3	-162.2	-48	0	0	112.9	G379 F380 A383 A384 S413 L414 L419 I450 Y819 V822	G379-M416 VanDerWaalsContact C-CE 3.42Å; F380-M416 HydrophobicContact CD1-CE 3.61Å; F380-M416 HydrophobicContact CD1-SD 3.96Å; F380-M416 HydrophobicContact CD2-CE 4.46Å; F380-M416 HydrophobicContact CE1-CE 3.68Å; F380-M416 HydrophobicContact CE1-SD 3.65Å; F380-M416 HydrophobicContact CE2-CE 4.49Å; F380-M416 HydrophobicContact CG-CE 4.02Å; F380-M416 HydrophobicContact CZ-CE 4.13Å; F380-M416 HydrophobicContact CZ-SD 4.36Å; A383-M416 CarbonylContact C-O 3.37Å; A383-M416 WeakPolarHBondContact CA-O 3.16Å; A384-M416 PolarHBondContact N-O 3.27Å; S413-M416 PolarHBondContact O-N 3Å; L414-M416 PolarHBondContact O-N 3.12Å; M416-L419 WeakPolarHBondContact O-CB 3.49Å; M416-L419 PolarHBondContact O-N 3.35Å; M416-I450 HydrophobicContact CG-CG2 4.01Å; M416-Y819 HydrophobicContact CE-CD1 4.21Å; M416-Y819 HydrophobicContact CE-CE1 3.72Å; M416-Y819 HydrophobicContact CG-CD1 4.09Å; M416-Y819 HydrophobicContact CG-CE1 4.22Å; M416-Y819 HydrophobicContact SD-CD1 3.49Å; M416-Y819 WeakPolarHBondContact SD-CD1 3.43Å; M416-Y819 HydrophobicContact SD-CE1 3.64Å; M416-V822 HydrophobicContact CG-CG2 4.06Å; M416-V822 HydrophobicContact SD-CG2 3.99Å
417	I	70.4	Confident	67.8	Low	4 Å²	4	19 Å²	19	2%	0.021	11%	0.108	C	C	.	.	H	α-helix	trans	-70.2	-37.3	179.2	-65.9	168.2	0	0	0	110.7	N382 A384 F385 G386 D388 L391 S413 L414	N382-I417 HydrophobicContact CB-CG1 4.48Å; A384-I417 PolarHBondContact N-O 3.05Å; F385-I417 PolarHBondContact N-O 3.17Å; G386-I417 PolarHBondContact N-O 3.12Å; D388-I417 HydrophobicContact CB-CD1 4.18Å; D388-I417 HydrophobicContact CB-CG2 4.42Å; L391-I417 HydrophobicContact CD1-CD1 3.65Å; S413-I417 PolarHBondContact O-N 2.77Å; L414-I417 PolarHBondContact O-N 2.9Å
418	L	66.5	Low	67.8	Low	14 Å²	14	22.1 Å²	22.1	7%	0.073	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	25.9	175.7	-61.9	99	0	0	0	112.4	L414 G415 W420 D421 Q428 V451	L414-L418 VanDerWaalsContact O-CD1 3.29Å; L414-L418 WeakPolarHBondContact O-CD1 3.41Å; L414-L418 PolarHBondContact O-N 3.19Å; L414-L418 VanDerWaalsContact O-N 3.08Å; G415-L418 CarbonylContact O-C 3.54Å; L418-W420 PolarHBondContact O-N 2.95Å; L418-D421 HydrophobicContact CB-CB 4.33Å; L418-D421 WeakPolarHBondContact O-CB 3.41Å; L418-D421 PolarHBondContact O-N 3.09Å; L418-Q428 HydrophobicContact CD2-CB 4.18Å; L418-Q428 HydrophobicContact CD2-CG 3.72Å; L418-V451 HydrophobicContact CB-CG2 4.3Å; L418-V451 WeakPolarHBondContact O-CG2 3.33Å
419	L	64.7	Low	67.9	Low	2 Å²	2	22 Å²	22	1%	0.01	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	133.5	176.3	-169.4	76.2	0	0	0	110.1	A384 G415 M416 D421 I450 V822 M825	A384-L419 HydrophobicContact CB-CB 4.23Å; G415-L419 WeakPolarHBondContact O-CA 3.47Å; G415-L419 PolarHBondContact O-N 3.46Å; M416-L419 WeakPolarHBondContact O-CB 3.49Å; M416-L419 PolarHBondContact O-N 3.35Å; L419-D421 VanDerWaalsContact C-N 3.27Å; L419-D421 PolarHBondContact O-N 3.38Å; L419-I450 HydrophobicContact CD1-CG2 3.67Å; L419-I450 WeakPolarHBondContact CD1-O 3.36Å; L419-V822 HydrophobicContact CD1-CG1 3.51Å; L419-M825 HydrophobicContact CD2-CE 4.11Å
420	W	64.4	Low	68.4	Low	37 Å²	37	24.2 Å²	24.2	14%	0.14	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	70	5.4	-173.8	-42.3	96	0	0	0	115.7	N323 L326 N327 L418 V451 S453 V455	N323-W420 HydrophobicContact CB-CZ3 4.49Å; L326-W420 HydrophobicContact CD1-CD2 4.22Å; L326-W420 HydrophobicContact CD1-CE3 3.67Å; L326-W420 HydrophobicContact CD1-CH2 3.96Å; L326-W420 HydrophobicContact CD1-CZ2 4.46Å; L326-W420 HydrophobicContact CD1-CZ3 3.51Å; N327-W420 HydrophobicContact CB-CB 4.01Å; N327-W420 WeakPolarHBondContact CB-O 3.47Å; N327-W420 VanDerWaalsContact ND2-C 3.27Å; N327-W420 PolarHBondContact ND2-O 3.21Å; L418-W420 PolarHBondContact O-N 2.95Å; W420-V451 WeakPolarHBondContact CA-O 3.44Å; W420-V451 PolarHBondContact N-O 3.02Å; W420-S453 WeakPolarHBondContact CH2-O 3.39Å; W420-S453 VanDerWaalsContact CZ3-O 3.32Å; W420-S453 WeakPolarHBondContact CZ3-O 3.33Å; W420-V455 HydrophobicContact CE3-CG2 3.57Å; W420-V455 HydrophobicContact CZ3-CG2 3.97Å
421	D	65.9	Low	68.5	Low	41 Å²	41	30.4 Å²	30.4	22%	0.219	16%	0.16	C	C	.	.			trans	-98.5	80.8	178	-174.6	11.3	0	0	0	112.7	N327 L418 L419 G424 G425 V451	N327-D421 WeakPolarHBondContact ND2-CA 3.22Å; N327-D421 WeakPolarHBondContact ND2-CB 3.31Å; N327-D421 PolarHBondContact ND2-N 2.97Å; L418-D421 HydrophobicContact CB-CB 4.33Å; L418-D421 WeakPolarHBondContact O-CB 3.41Å; L418-D421 PolarHBondContact O-N 3.09Å; L419-D421 VanDerWaalsContact C-N 3.27Å; L419-D421 PolarHBondContact O-N 3.38Å; D421-G424 VanDerWaalsContact OD1-CA 3.3Å; D421-G424 WeakPolarHBondContact OD1-CA 3.23Å; D421-G424 PolarHBondContact OD1-N 3.2Å; D421-G424 WeakPolarHBondContact OD2-CA 3.48Å; D421-G425 VanDerWaalsContact CG-N 3.3Å; D421-G425 WeakPolarHBondContact O-CA 3.44Å; D421-G425 PolarHBondContact O-N 3.08Å; D421-G425 PolarHBondContact OD2-N 2.99Å; D421-V451 WeakPolarHBondContact O-CG1 3.3Å
422	V	61.3	Low	68.5	Low	19 Å²	19	32 Å²	32	12%	0.115	17%	0.166	C	C	.	.	H	α-helix	trans	-63.4	-48.3	-178.1	-176.6	0	0	0	0	112.2	L426 V455 N457	V422-L426 WeakPolarHBondContact O-CD1 3.44Å; V422-L426 WeakPolarHBondContact O-CG 3.41Å; V422-V455 HydrophobicContact CG2-CB 4.32Å; V422-V455 HydrophobicContact CG2-CG1 3.54Å; V422-N457 HydrophobicContact CG1-CB 4.15Å
423	D	62.4	Low	68.6	Low	130 Å²	130	32.4 Å²	32.4	70%	0.695	17%	0.168	S	C	*	.	H	α-helix	trans	-81.9	-40.7	-171.2	-62.9	-22	0	0	0	112.7
424	G	66.6	Low	69	Low	24 Å²	24	41.6 Å²	41.6	25%	0.247	20%	0.204	C	C	.	.	H	α-helix	trans	-81.3	-42	177.5	0	0	0	0	0	112.4	D421 T427	D421-G424 VanDerWaalsContact OD1-CA 3.3Å; D421-G424 WeakPolarHBondContact OD1-CA 3.23Å; D421-G424 PolarHBondContact OD1-N 3.2Å; D421-G424 WeakPolarHBondContact OD2-CA 3.48Å; G424-T427 PolarHBondContact O-N 2.91Å; G424-T427 PolarHBondContact O-OG1 2.7Å
425	G	68.1	Low	69.3	Low	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-65.9	-46.6	-167	0	0	0	0	0	114.1	D421 T427 Q428 I429	D421-G425 VanDerWaalsContact CG-N 3.3Å; D421-G425 WeakPolarHBondContact O-CA 3.44Å; D421-G425 PolarHBondContact O-N 3.08Å; D421-G425 PolarHBondContact OD2-N 2.99Å; G425-T427 VanDerWaalsContact C-N 3.3Å; G425-T427 PolarHBondContact O-N 3.09Å; G425-Q428 WeakPolarHBondContact O-CB 3.4Å; G425-Q428 PolarHBondContact O-N 2.69Å; G425-I429 WeakPolarHBondContact O-CG1 3.37Å; G425-I429 PolarHBondContact O-N 3.29Å; G425-I429 VanDerWaalsContact O-N 3.13Å
426	L	70.7	Confident	69.3	Low	26 Å²	26	47 Å²	47	14%	0.136	24%	0.243	C	C	.	.	H	α-helix	trans	-56.9	-44.3	179.3	-65.5	175.6	0	0	0	111.4	V422 Q428 I429 D430 C448 P461 L465	V422-L426 WeakPolarHBondContact O-CD1 3.44Å; V422-L426 WeakPolarHBondContact O-CG 3.41Å; L426-Q428 PolarHBondContact O-N 2.75Å; L426-Q428 VanDerWaalsContact O-N 3.13Å; L426-I429 PolarHBondContact O-N 2.89Å; L426-D430 PolarHBondContact O-N 2.89Å; L426-C448 HydrophobicContact CD2-CB 4.22Å; L426-P461 HydrophobicContact CD1-CB 3.85Å; L426-P461 HydrophobicContact CD1-CG 3.93Å; L426-L465 HydrophobicContact CD2-CD1 4.42Å
427	T	76.1	Confident	69.8	Low	69 Å²	69	50.1 Å²	50.1	42%	0.423	26%	0.257	S	S	.	.	H	α-helix	trans	-63.9	-21	179.5	77.6	0	0	0	0	114	G424 G425 K431	G424-T427 PolarHBondContact O-N 2.91Å; G424-T427 PolarHBondContact O-OG1 2.7Å; G425-T427 VanDerWaalsContact C-N 3.3Å; G425-T427 PolarHBondContact O-N 3.09Å; T427-K431 WeakPolarHBondContact O-CE 3.42Å
428	Q	70.9	Confident	70.2	Confident	78 Å²	78	53.4 Å²	53.4	36%	0.364	28%	0.275	S	S	.	.	H	α-helix	trans	-82.7	-40.4	172.3	-55.4	-62.3	-12.9	0	0	110.9	L418 G425 L426 K431 Y432	L418-Q428 HydrophobicContact CD2-CB 4.18Å; L418-Q428 HydrophobicContact CD2-CG 3.72Å; G425-Q428 WeakPolarHBondContact O-CB 3.4Å; G425-Q428 PolarHBondContact O-N 2.69Å; L426-Q428 PolarHBondContact O-N 2.75Å; L426-Q428 VanDerWaalsContact O-N 3.13Å; Q428-K431 WeakPolarHBondContact O-CB 3.21Å; Q428-K431 PolarHBondContact O-N 3.22Å; Q428-Y432 WeakPolarHBondContact O-CD2 3.32Å; Q428-Y432 WeakPolarHBondContact O-CE2 3.35Å
429	I	73.3	Confident	70.6	Confident	2 Å²	2	55.9 Å²	55.9	1%	0.01	28%	0.284	C	S	.	.	H	α-helix	trans	-70.2	-37.5	-177.8	-64.3	166.5	0	0	0	111.8	G425 L426 K431 Y432 L433 A444 A447 C448 V451	G425-I429 WeakPolarHBondContact O-CG1 3.37Å; G425-I429 PolarHBondContact O-N 3.29Å; G425-I429 VanDerWaalsContact O-N 3.13Å; L426-I429 PolarHBondContact O-N 2.89Å; I429-K431 PolarHBondContact O-N 3.04Å; I429-K431 VanDerWaalsContact O-N 3.1Å; I429-Y432 PolarHBondContact O-N 3.24Å; I429-L433 PolarHBondContact O-N 3.04Å; I429-A444 HydrophobicContact CG2-CB 3.75Å; I429-A444 WeakPolarHBondContact CG2-O 3.4Å; I429-A447 HydrophobicContact CD1-CB 3.76Å; I429-A447 HydrophobicContact CG1-CB 4.18Å; I429-A447 HydrophobicContact CG2-CB 4.25Å; I429-C448 VanDerWaalsContact CG2-SG 3.58Å; I429-V451 HydrophobicContact CD1-CG2 3.52Å
430	D	75.1	Confident	71.1	Confident	47 Å²	47	55.8 Å²	55.8	25%	0.251	28%	0.284	S	S	.	.	H	α-helix	trans	-50.1	-38.4	176	-75.7	-31.3	0	0	0	112.9	L426 Y432 L433 Y434	L426-D430 PolarHBondContact O-N 2.89Å; D430-Y432 PolarHBondContact O-N 3.43Å; D430-L433 PolarHBondContact O-N 3.06Å; D430-L433 VanDerWaalsContact O-N 3.13Å; D430-Y434 HydrophobicContact CB-CE2 4.41Å; D430-Y434 WeakPolarHBondContact O-CD2 3.41Å; D430-Y434 PolarHBondContact O-N 2.87Å
431	K	74.1	Confident	71.6	Confident	132 Å²	132	56.7 Å²	56.7	57%	0.574	29%	0.288	S	S	*	.	H	α-helix	trans	-60.5	-27.9	179.4	-61	167	-173.7	163.4	0	112.6	T427 Q428 I429	T427-K431 WeakPolarHBondContact O-CE 3.42Å; Q428-K431 WeakPolarHBondContact O-CB 3.21Å; Q428-K431 PolarHBondContact O-N 3.22Å; I429-K431 PolarHBondContact O-N 3.04Å; I429-K431 VanDerWaalsContact O-N 3.1Å
432	Y	71.4	Confident	71.9	Confident	33 Å²	33	54.7 Å²	54.7	13%	0.129	28%	0.278	C	S	.	.	H	α-helix	trans	-94.9	-29.2	176.6	-55.3	-89	0	0	0	111.8	L399 L414 Q428 I429 D430 Y434 S435	L399-Y432 HydrophobicContact CD2-CD1 4.04Å; L399-Y432 HydrophobicContact CD2-CE1 4.47Å; L414-Y432 HydrophobicContact CD1-CD1 4.27Å; L414-Y432 HydrophobicContact CD1-CD2 3.66Å; L414-Y432 HydrophobicContact CD1-CE1 4.17Å; L414-Y432 HydrophobicContact CD1-CE2 3.56Å; L414-Y432 HydrophobicContact CD1-CG 4.03Å; Q428-Y432 WeakPolarHBondContact O-CD2 3.32Å; Q428-Y432 WeakPolarHBondContact O-CE2 3.35Å; I429-Y432 PolarHBondContact O-N 3.24Å; D430-Y432 PolarHBondContact O-N 3.43Å; Y432-Y434 VanDerWaalsContact C-N 3.27Å; Y432-Y434 PolarHBondContact O-N 3.43Å; Y432-S435 WeakPolarHBondContact O-CB 3.3Å; Y432-S435 PolarHBondContact O-N 3.23Å
433	L	70.9	Confident	72.3	Confident	9 Å²	9	53.8 Å²	53.8	5%	0.047	27%	0.272	C	S	.	.	H	α-helix	trans	-61.4	-31.9	177	-174.5	59.7	0	0	0	113.1	I429 D430 S435 K441 A444 L445	I429-L433 PolarHBondContact O-N 3.04Å; D430-L433 PolarHBondContact O-N 3.06Å; D430-L433 VanDerWaalsContact O-N 3.13Å; L433-S435 VanDerWaalsContact C-N 3.27Å; L433-S435 PolarHBondContact O-N 2.91Å; L433-K441 WeakPolarHBondContact O-CE 3.49Å; L433-K441 WeakPolarHBondContact O-CG 3.39Å; L433-A444 HydrophobicContact CB-CB 4.14Å; L433-A444 HydrophobicContact CD1-CB 4.19Å; L433-L445 HydrophobicContact CD1-CD1 4.35Å; L433-L445 HydrophobicContact CD1-CD2 3.75Å; L433-L445 HydrophobicContact CD1-CG 3.75Å
434	Y	76.3	Confident	72.9	Confident	194 Å²	194	47.7 Å²	47.7	76%	0.761	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.3	1.1	173.9	-63.6	-62.2	0	0	0	114.9	D430 Y432	D430-Y434 HydrophobicContact CB-CE2 4.41Å; D430-Y434 WeakPolarHBondContact O-CD2 3.41Å; D430-Y434 PolarHBondContact O-N 2.87Å; Y432-Y434 VanDerWaalsContact C-N 3.27Å; Y432-Y434 PolarHBondContact O-N 3.43Å
435	S	73.6	Confident	73.2	Confident	15 Å²	15	46.5 Å²	46.5	11%	0.105	23%	0.228	C	C	.	.	S	Bend	trans	-63.5	152.8	175.4	-172.4	0	0	0	0	112.4	Y400 Y432 L433 E437 K441	Y400-S435 PolarHBondContact OH-OG 3.02Å; Y432-S435 WeakPolarHBondContact O-CB 3.3Å; Y432-S435 PolarHBondContact O-N 3.23Å; L433-S435 VanDerWaalsContact C-N 3.27Å; L433-S435 PolarHBondContact O-N 2.91Å; S435-E437 VanDerWaalsContact C-N 3.3Å; S435-E437 PolarHBondContact O-N 2.77Å; S435-K441 WeakPolarHBondContact O-CE 3.39Å
436	S	66.2	Low	73.4	Confident	112 Å²	112	46.6 Å²	46.6	78%	0.783	23%	0.228	S	C	*	.	S	Bend	trans	-79.2	-3.9	-175	56.1	0	0	0	0	115.2
437	E	77.6	Confident	73.5	Confident	64 Å²	64	45.4 Å²	45.4	30%	0.299	22%	0.222	S	C	.	.			trans	-104	125.6	-177.9	-64.6	-168.5	169.7	0	0	113.2	M407 S435 Y439 I440 K441	M407-E437 WeakPolarHBondContact CE-OE2 3.5Å; S435-E437 VanDerWaalsContact C-N 3.3Å; S435-E437 PolarHBondContact O-N 2.77Å; E437-Y439 PolarHBondContact O-N 3.48Å; E437-Y439 VanDerWaalsContact O-N 3.14Å; E437-I440 HydrophobicContact CB-CB 4.42Å; E437-I440 HydrophobicContact CB-CD1 4.13Å; E437-I440 HydrophobicContact CB-CG1 4.18Å; E437-I440 HydrophobicContact CG-CD1 4.45Å; E437-I440 PolarHBondContact O-N 3.43Å; E437-K441 PolarHBondContact O-N 3.04Å
438	D	77.4	Confident	73.3	Confident	74 Å²	74	42.1 Å²	42.1	40%	0.396	20%	0.202	S	C	.	.	H	α-helix	trans	-53.2	-35.8	178.2	-68.6	6.8	0	0	0	113.2	S442 M477	D438-S442 VanDerWaalsContact O-CB 3.31Å; D438-S442 WeakPolarHBondContact O-CB 3.35Å; D438-S442 PolarHBondContact O-N 3.45Å; D438-S442 PolarHBondContact O-OG 2.93Å; D438-M477 HydrophobicContact CB-SD 4.45Å
439	Y	74.7	Confident	73.1	Confident	66 Å²	66	38.4 Å²	38.4	26%	0.259	19%	0.185	S	C	.	.	H	α-helix	trans	-66	-41.9	176.1	-72.9	-74.8	0	0	0	112.3	D404 H405 L408 E437 S442 G443 T476	D404-Y439 HydrophobicContact CB-CD2 4.46Å; D404-Y439 HydrophobicContact CB-CE1 4.34Å; D404-Y439 HydrophobicContact CB-CE2 3.99Å; H405-Y439 AromaticContact CE1-CE1 3.78Å; H405-Y439 AromaticContact ND1-CE1 3.95Å; L408-Y439 WeakPolarHBondContact CA-O 3.48Å; L408-Y439 HydrophobicContact CB-CD1 4.39Å; L408-Y439 WeakPolarHBondContact CB-O 3.41Å; L408-Y439 HydrophobicContact CD1-CD1 4.13Å; L408-Y439 VanDerWaalsContact CG-O 3.26Å; L408-Y439 WeakPolarHBondContact CG-O 3.39Å; E437-Y439 PolarHBondContact O-N 3.48Å; E437-Y439 VanDerWaalsContact O-N 3.14Å; Y439-S442 PolarHBondContact O-N 2.93Å; Y439-G443 PolarHBondContact O-N 2.89Å; Y439-G443 VanDerWaalsContact O-N 3.12Å; Y439-T476 HydrophobicContact CD1-CG2 4.23Å; Y439-T476 HydrophobicContact CE1-CG2 3.82Å
440	I	75.8	Confident	72.9	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-67.4	-43.2	178.1	-62.5	173.9	0	0	0	109.6	L399 Y400 M407 E437 S442 G443 A444	L399-I440 HydrophobicContact CD1-CG1 4.36Å; L399-I440 HydrophobicContact CD2-CD1 3.83Å; L399-I440 HydrophobicContact CD2-CG1 4.13Å; L399-I440 HydrophobicContact CD2-CG2 4Å; L399-I440 HydrophobicContact CG-CD1 4.01Å; L399-I440 HydrophobicContact CG-CG1 4.25Å; Y400-I440 HydrophobicContact CD1-CD1 4.21Å; Y400-I440 HydrophobicContact CE1-CD1 3.58Å; M407-I440 HydrophobicContact CB-CG1 4.17Å; E437-I440 HydrophobicContact CB-CB 4.42Å; E437-I440 HydrophobicContact CB-CD1 4.13Å; E437-I440 HydrophobicContact CB-CG1 4.18Å; E437-I440 HydrophobicContact CG-CD1 4.45Å; E437-I440 PolarHBondContact O-N 3.43Å; I440-S442 PolarHBondContact O-N 3.2Å; I440-G443 PolarHBondContact O-N 3.25Å; I440-A444 PolarHBondContact O-N 3.09Å
441	K	75.7	Confident	72.7	Confident	55 Å²	55	36.1 Å²	36.1	24%	0.239	17%	0.173	C	C	.	.	H	α-helix	trans	-58.5	-48.3	174.4	-63.6	-162.7	179	-172.1	0	112.7	L433 S435 E437 G443 A444 L445 M477	L433-K441 WeakPolarHBondContact O-CE 3.49Å; L433-K441 WeakPolarHBondContact O-CG 3.39Å; S435-K441 WeakPolarHBondContact O-CE 3.39Å; E437-K441 PolarHBondContact O-N 3.04Å; K441-G443 PolarHBondContact O-N 3.32Å; K441-A444 PolarHBondContact O-N 3.06Å; K441-A444 VanDerWaalsContact O-N 3.17Å; K441-L445 VanDerWaalsContact O-CG 3.3Å; K441-L445 WeakPolarHBondContact O-CG 3.23Å; K441-L445 PolarHBondContact O-N 3.2Å; K441-M477 HydrophobicContact CB-CE 4.34Å; K441-M477 HydrophobicContact CB-SD 4.4Å; K441-M477 HydrophobicContact CD-CE 4.07Å; K441-M477 HydrophobicContact CD-SD 4.3Å
442	S	71.3	Confident	72.3	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-60.4	-33.1	179.8	-53.9	0	0	0	0	112	L408 D438 Y439 I440 L446 T476 M477	L408-S442 VanDerWaalsContact CD1-CB 3.47Å; D438-S442 VanDerWaalsContact O-CB 3.31Å; D438-S442 WeakPolarHBondContact O-CB 3.35Å; D438-S442 PolarHBondContact O-N 3.45Å; D438-S442 PolarHBondContact O-OG 2.93Å; Y439-S442 PolarHBondContact O-N 2.93Å; I440-S442 PolarHBondContact O-N 3.2Å; S442-L446 WeakPolarHBondContact O-CB 3.33Å; S442-L446 PolarHBondContact O-N 3.32Å; S442-L446 VanDerWaalsContact O-N 3.13Å; S442-T476 WeakPolarHBondContact CB-O 3.32Å; S442-T476 WeakPolarHBondContact OG-CB 3.5Å; S442-T476 PolarHBondContact OG-O 3Å; S442-M477 VanDerWaalsContact OG-CA 3.28Å; S442-M477 WeakPolarHBondContact OG-CA 3.39Å; S442-M477 WeakPolarHBondContact OG-CG 3.24Å; S442-M477 PolarHBondContact OG-N 2.76Å; S442-M477 VanDerWaalsContact OG-N 3.12Å
443	G	70.2	Confident	71.7	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-80.1	-31.4	177.6	0	0	0	0	0	113.3	L408 A412 Y439 I440 K441 A447	L408-G443 VanDerWaalsContact CD2-CA 3.46Å; A412-G443 WeakPolarHBondContact CA-O 3.27Å; A412-G443 PolarHBondContact N-O 2.93Å; Y439-G443 PolarHBondContact O-N 2.89Å; Y439-G443 VanDerWaalsContact O-N 3.12Å; I440-G443 PolarHBondContact O-N 3.25Å; K441-G443 PolarHBondContact O-N 3.32Å; G443-A447 VanDerWaalsContact O-CB 3.3Å; G443-A447 WeakPolarHBondContact O-CB 3.42Å; G443-A447 PolarHBondContact O-N 2.99Å
444	A	74.8	Confident	71	Confident	1 Å²	1	30.1 Å²	30.1	1%	0.008	16%	0.157	C	C	.	.	H	α-helix	trans	-67.1	-43.3	169.5	0	0	0	0	0	111.5	I429 L433 I440 K441 L446 A447 C448	I429-A444 HydrophobicContact CG2-CB 3.75Å; I429-A444 WeakPolarHBondContact CG2-O 3.4Å; L433-A444 HydrophobicContact CB-CB 4.14Å; L433-A444 HydrophobicContact CD1-CB 4.19Å; I440-A444 PolarHBondContact O-N 3.09Å; K441-A444 PolarHBondContact O-N 3.06Å; K441-A444 VanDerWaalsContact O-N 3.17Å; A444-L446 PolarHBondContact O-N 3.12Å; A444-A447 CarbonylContact O-C 3.56Å; A444-A447 WeakPolarHBondContact O-CA 3.19Å; A444-A447 WeakPolarHBondContact O-CB 3.09Å; A444-A447 PolarHBondContact O-N 3.43Å; A444-A447 VanDerWaalsContact O-N 3.09Å; A444-C448 PolarHBondContact O-N 2.74Å; A444-C448 PolarHBondContact O-SG 3.07Å; A444-C448 VanDerWaalsContact O-SG 3.4Å
445	L	74.1	Confident	70	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-63.3	-41.7	176.1	-67.4	165.6	0	0	0	111.8	L433 K441 C448 G449 L466 Y469 M477	L433-L445 HydrophobicContact CD1-CD1 4.35Å; L433-L445 HydrophobicContact CD1-CD2 3.75Å; L433-L445 HydrophobicContact CD1-CG 3.75Å; K441-L445 VanDerWaalsContact O-CG 3.3Å; K441-L445 WeakPolarHBondContact O-CG 3.23Å; K441-L445 PolarHBondContact O-N 3.2Å; L445-C448 PolarHBondContact O-N 3.17Å; L445-G449 PolarHBondContact O-N 2.89Å; L445-L466 HydrophobicContact CB-CD2 4Å; L445-L466 HydrophobicContact CD2-CD2 3.9Å; L445-Y469 HydrophobicContact CD1-CD1 4.41Å; L445-Y469 HydrophobicContact CD1-CD2 3.71Å; L445-Y469 HydrophobicContact CD1-CE2 4.28Å; L445-Y469 HydrophobicContact CD1-CG 3.77Å; L445-Y469 HydrophobicContact CD2-CD2 3.37Å; L445-Y469 HydrophobicContact CD2-CE2 3.66Å; L445-Y469 HydrophobicContact CD2-CG 4.28Å; L445-Y469 HydrophobicContact CG-CD2 4.2Å; L445-M477 HydrophobicContact CD1-CE 4.34Å
446	L	71.4	Confident	69.1	Low	2 Å²	2	23.5 Å²	23.5	1%	0.01	13%	0.129	C	C	.	.	H	α-helix	trans	-64.9	-38.5	170.5	-179.8	56.5	0	0	0	112	L408 A412 S442 A444 C448 G449 I450 F483 L487 Y816 Y819	L408-L446 HydrophobicContact CD2-CD2 4.43Å; A412-L446 HydrophobicContact CB-CD2 4.05Å; A412-L446 HydrophobicContact CB-CG 4.3Å; S442-L446 WeakPolarHBondContact O-CB 3.33Å; S442-L446 PolarHBondContact O-N 3.32Å; S442-L446 VanDerWaalsContact O-N 3.13Å; A444-L446 PolarHBondContact O-N 3.12Å; L446-C448 VanDerWaalsContact C-N 3.33Å; L446-C448 PolarHBondContact O-N 2.95Å; L446-G449 PolarHBondContact O-N 3.35Å; L446-I450 HydrophobicContact CD1-CD1 4.33Å; L446-I450 HydrophobicContact CD1-CG1 4.44Å; L446-I450 HydrophobicContact CG-CD1 4.01Å; L446-I450 WeakPolarHBondContact O-CG1 3.41Å; L446-I450 PolarHBondContact O-N 2.9Å; L446-F483 HydrophobicContact CD1-CB 4.34Å; L446-F483 HydrophobicContact CD1-CD1 3.58Å; L446-F483 HydrophobicContact CD1-CE1 4.32Å; L446-F483 HydrophobicContact CD1-CG 4.32Å; L446-F483 HydrophobicContact CD2-CD1 4.16Å; L446-L487 HydrophobicContact CD1-CD1 3.89Å; L446-Y816 HydrophobicContact CD2-CG 4.37Å; L446-Y819 HydrophobicContact CD2-CD2 4Å
447	A	71.9	Confident	68.5	Low	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-60.9	-40	175.1	0	0	0	0	0	112.1	I429 G443 A444 G449 I450 V451	I429-A447 HydrophobicContact CD1-CB 3.76Å; I429-A447 HydrophobicContact CG1-CB 4.18Å; I429-A447 HydrophobicContact CG2-CB 4.25Å; G443-A447 VanDerWaalsContact O-CB 3.3Å; G443-A447 WeakPolarHBondContact O-CB 3.42Å; G443-A447 PolarHBondContact O-N 2.99Å; A444-A447 CarbonylContact O-C 3.56Å; A444-A447 WeakPolarHBondContact O-CA 3.19Å; A444-A447 WeakPolarHBondContact O-CB 3.09Å; A444-A447 PolarHBondContact O-N 3.43Å; A444-A447 VanDerWaalsContact O-N 3.09Å; A447-G449 PolarHBondContact O-N 3.2Å; A447-I450 WeakPolarHBondContact O-CB 3.46Å; A447-I450 PolarHBondContact O-N 2.89Å; A447-I450 VanDerWaalsContact O-N 3.12Å; A447-V451 WeakPolarHBondContact O-CG2 3.49Å; A447-V451 PolarHBondContact O-N 3.16Å
448	C	71.8	Confident	66.9	Low	1 Å²	1	24.9 Å²	24.9	1%	0.007	13%	0.125	C	C	.	.	H	α-helix	trans	-58	-48.1	173.7	-66	0	0	0	0	111.3	L426 I429 A444 L445 L446 I450 V451 N452	L426-C448 HydrophobicContact CD2-CB 4.22Å; I429-C448 VanDerWaalsContact CG2-SG 3.58Å; A444-C448 PolarHBondContact O-N 2.74Å; A444-C448 PolarHBondContact O-SG 3.07Å; A444-C448 VanDerWaalsContact O-SG 3.4Å; L445-C448 PolarHBondContact O-N 3.17Å; L446-C448 VanDerWaalsContact C-N 3.33Å; L446-C448 PolarHBondContact O-N 2.95Å; C448-I450 PolarHBondContact O-N 3.14Å; C448-V451 PolarHBondContact O-N 2.96Å; C448-N452 PolarHBondContact O-N 3.11Å; C448-N452 PolarHBondContact O-ND2 3.13Å; C448-N452 PolarHBondContact O-OD1 3.33Å
449	G	67.7	Low	65.6	Low	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-66.4	-15.1	176.2	0	0	0	0	0	115.4	L445 L446 A447 N452 S453 G484	L445-G449 PolarHBondContact O-N 2.89Å; L446-G449 PolarHBondContact O-N 3.35Å; A447-G449 PolarHBondContact O-N 3.2Å; G449-N452 VanDerWaalsContact C-OD1 3.27Å; G449-N452 VanDerWaalsContact CA-OD1 3.27Å; G449-N452 WeakPolarHBondContact CA-OD1 3.38Å; G449-N452 PolarHBondContact O-OD1 3.24Å; G449-N452 VanDerWaalsContact O-OD1 3.09Å; G449-S453 PolarHBondContact O-OG 3.13Å; G449-G484 WeakPolarHBondContact CA-O 3.5Å
450	I	69.5	Low	64.8	Low	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-86	-47.2	171.6	-71.2	166.9	0	0	0	109.9	G415 M416 L419 L446 A447 C448 N452 S453 L487 Y819 V822	G415-I450 WeakPolarHBondContact O-CG2 3.32Å; M416-I450 HydrophobicContact CG-CG2 4.01Å; L419-I450 HydrophobicContact CD1-CG2 3.67Å; L419-I450 WeakPolarHBondContact CD1-O 3.36Å; L446-I450 HydrophobicContact CD1-CD1 4.33Å; L446-I450 HydrophobicContact CD1-CG1 4.44Å; L446-I450 HydrophobicContact CG-CD1 4.01Å; L446-I450 WeakPolarHBondContact O-CG1 3.41Å; L446-I450 PolarHBondContact O-N 2.9Å; A447-I450 WeakPolarHBondContact O-CB 3.46Å; A447-I450 PolarHBondContact O-N 2.89Å; A447-I450 VanDerWaalsContact O-N 3.12Å; C448-I450 PolarHBondContact O-N 3.14Å; I450-N452 PolarHBondContact O-N 3.26Å; I450-S453 VanDerWaalsContact O-CB 3.27Å; I450-S453 WeakPolarHBondContact O-CB 3.35Å; I450-S453 PolarHBondContact O-N 3.36Å; I450-S453 PolarHBondContact O-OG 3.03Å; I450-L487 HydrophobicContact CG1-CD1 4.32Å; I450-Y819 HydrophobicContact CD1-CD1 4.2Å; I450-Y819 HydrophobicContact CD1-CD2 4.5Å; I450-Y819 HydrophobicContact CD1-CG 3.95Å; I450-V822 HydrophobicContact CG2-CG1 4.19Å; I450-V822 HydrophobicContact CG2-CG2 4.12Å
451	V	70	Confident	63.8	Low	1 Å²	1	25.9 Å²	25.9	1%	0.006	14%	0.143	C	C	.	.	H	α-helix	trans	-55.4	-38.6	-178	166.3	0	0	0	0	112.8	L418 W420 D421 I429 A447 C448	L418-V451 HydrophobicContact CB-CG2 4.3Å; L418-V451 WeakPolarHBondContact O-CG2 3.33Å; W420-V451 WeakPolarHBondContact CA-O 3.44Å; W420-V451 PolarHBondContact N-O 3.02Å; D421-V451 WeakPolarHBondContact O-CG1 3.3Å; I429-V451 HydrophobicContact CD1-CG2 3.52Å; A447-V451 WeakPolarHBondContact O-CG2 3.49Å; A447-V451 PolarHBondContact O-N 3.16Å; C448-V451 PolarHBondContact O-N 2.96Å
452	N	65.8	Low	62.9	Low	11 Å²	11	23.5 Å²	23.5	6%	0.059	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	3.7	179.9	58.5	27.4	0	0	0	114.5	C448 G449 I450 G454 V455 A462 A488	C448-N452 PolarHBondContact O-N 3.11Å; C448-N452 PolarHBondContact O-ND2 3.13Å; C448-N452 PolarHBondContact O-OD1 3.33Å; G449-N452 VanDerWaalsContact C-OD1 3.27Å; G449-N452 VanDerWaalsContact CA-OD1 3.27Å; G449-N452 WeakPolarHBondContact CA-OD1 3.38Å; G449-N452 PolarHBondContact O-OD1 3.24Å; G449-N452 VanDerWaalsContact O-OD1 3.09Å; I450-N452 PolarHBondContact O-N 3.26Å; N452-G454 PolarHBondContact O-N 3.49Å; N452-V455 PolarHBondContact O-N 3.17Å; N452-A462 WeakPolarHBondContact ND2-CB 3.5Å; N452-A488 WeakPolarHBondContact OD1-CB 3.4Å
453	S	59.3	Low	62.4	Low	8 Å²	8	25.2 Å²	25.2	6%	0.056	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	106.7	175.9	-74.4	0	0	0	0	110	W420 G449 I450	W420-S453 WeakPolarHBondContact CH2-O 3.39Å; W420-S453 VanDerWaalsContact CZ3-O 3.32Å; W420-S453 WeakPolarHBondContact CZ3-O 3.33Å; G449-S453 PolarHBondContact O-OG 3.13Å; I450-S453 VanDerWaalsContact O-CB 3.27Å; I450-S453 WeakPolarHBondContact O-CB 3.35Å; I450-S453 PolarHBondContact O-N 3.36Å; I450-S453 PolarHBondContact O-OG 3.03Å
454	G	55.3	Low	62	Low	29 Å²	29	28.3 Å²	28.3	30%	0.299	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.1	2.5	179.8	0	0	0	0	0	116.7	N323 N452	N323-G454 WeakPolarHBondContact CB-O 3.44Å; N323-G454 PolarHBondContact ND2-O 3.04Å; N323-G454 VanDerWaalsContact ND2-O 3.12Å; N452-G454 PolarHBondContact O-N 3.49Å
455	V	56.1	Low	61.5	Low	11 Å²	11	30.8 Å²	30.8	7%	0.067	18%	0.181	C	C	.	.			trans	-124.9	118.5	171.5	165.5	0	0	0	0	110.6	S322 N323 V324 W420 V422 N452	S322-V455 WeakPolarHBondContact O-CA 3.38Å; S322-V455 WeakPolarHBondContact O-CG1 3.49Å; S322-V455 WeakPolarHBondContact O-CG2 3.47Å; N323-V455 HydrophobicContact CB-CG2 3.64Å; V324-V455 HydrophobicContact CG2-CG1 4.26Å; W420-V455 HydrophobicContact CE3-CG2 3.57Å; W420-V455 HydrophobicContact CZ3-CG2 3.97Å; V422-V455 HydrophobicContact CG2-CB 4.32Å; V422-V455 HydrophobicContact CG2-CG1 3.54Å; N452-V455 PolarHBondContact O-N 3.17Å
456	R	54.6	Low	61.1	Low	58 Å²	58	30.8 Å²	30.8	22%	0.219	18%	0.181	C	C	.	.			trans	-104.3	93.8	176.8	-175.6	174	169.6	-160.7	-12.8	110	E306 S322	E306-R456 IonicContact OE1-CZ 2.62Å; E306-R456 IonicContact OE1-NH1 2.68Å; E306-R456 IonicContact OE1-NH2 2.64Å; E306-R456 PolarHBondContact OE1-NH2 2.92Å; S322-R456 VanDerWaalsContact CB-O 3.22Å; S322-R456 WeakPolarHBondContact CB-O 3.31Å; S322-R456 PolarHBondContact OG-O 2.8Å
457	N	54.3	Low	60.6	Low	49 Å²	49	32.8 Å²	32.8	26%	0.262	20%	0.195	S	C	.	.			trans	-78.3	136.5	167.7	-176.1	-36.1	0	0	0	109.3	V422 C459 D460	V422-N457 HydrophobicContact CG1-CB 4.15Å; N457-C459 PolarHBondContact O-N 3.16Å; N457-C459 VanDerWaalsContact O-N 3.1Å; N457-C459 PolarHBondContact OD1-N 3.44Å; N457-D460 PolarHBondContact O-N 2.92Å
458	E	43.3	Very low	60.3	Low	156 Å²	156	38.7 Å²	38.7	73%	0.729	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-27.7	-179.2	-57.3	-179.6	158	0	0	114.1	D460	E458-D460 PolarHBondContact O-N 3.5Å; E458-D460 VanDerWaalsContact O-N 3.13Å
459	C	50.8	Low	59.9	Low	104 Å²	104	41.7 Å²	41.7	70%	0.703	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-5.8	175.9	-165.4	0	0	0	0	113.6	N457 P461	N457-C459 PolarHBondContact O-N 3.16Å; N457-C459 VanDerWaalsContact O-N 3.1Å; N457-C459 PolarHBondContact OD1-N 3.44Å; C459-P461 VanDerWaalsContact C-N 3.34Å; C459-P461 VanDerWaalsContact O-N 3.12Å
460	D	56.3	Low	59.6	Low	30 Å²	30	42.2 Å²	42.2	16%	0.16	24%	0.242	C	C	.	.			trans	44.1	43.9	173.8	-126.5	-4.5	0	0	0	115.3	N457 E458 A462 L463 A464 Y489 R494	N457-D460 PolarHBondContact O-N 2.92Å; E458-D460 PolarHBondContact O-N 3.5Å; E458-D460 VanDerWaalsContact O-N 3.13Å; D460-A462 PolarHBondContact O-N 2.97Å; D460-A462 VanDerWaalsContact O-N 3.09Å; D460-L463 PolarHBondContact O-N 3.33Å; D460-L463 VanDerWaalsContact O-N 3.12Å; D460-A464 PolarHBondContact O-N 3.26Å; D460-Y489 PolarHBondContact OD1-OH 3.35Å; D460-R494 VanDerWaalsContact CG-NH2 3.27Å; D460-R494 IonicContact OD1-CZ 3.69Å; D460-R494 IonicContact OD1-NH2 2.92Å; D460-R494 PolarHBondContact OD1-NH2 3.04Å; D460-R494 IonicContact OD2-CZ 2.78Å; D460-R494 VanDerWaalsContact OD2-CZ 3.22Å; D460-R494 IonicContact OD2-NH1 3.21Å; D460-R494 PolarHBondContact OD2-NH1 2.78Å; D460-R494 IonicContact OD2-NH2 3.77Å; D460-R494 PolarHBondContact OD2-NH2 3.45Å
461	P	55.5	Low	59.3	Low	27 Å²	27	48.1 Å²	48.1	18%	0.175	27%	0.272	C	S	.	.	H	α-helix	trans	-65.6	-21.5	-169.6	28.6	-36.8	0	0	0	113.1	L426 C459 L465	L426-P461 HydrophobicContact CD1-CB 3.85Å; L426-P461 HydrophobicContact CD1-CG 3.93Å; C459-P461 VanDerWaalsContact C-N 3.34Å; C459-P461 VanDerWaalsContact O-N 3.12Å; P461-L465 VanDerWaalsContact O-CB 3.27Å; P461-L465 WeakPolarHBondContact O-CB 3.23Å; P461-L465 VanDerWaalsContact O-CG 3.3Å; P461-L465 WeakPolarHBondContact O-CG 3.48Å; P461-L465 PolarHBondContact O-N 3.26Å
462	A	57.5	Low	59.3	Low	5 Å²	5	51.7 Å²	51.7	4%	0.041	29%	0.289	C	S	.	.	H	α-helix	trans	-63.6	-52.9	174.1	0	0	0	0	0	110.7	N452 D460 L466 A488 Y489	N452-A462 WeakPolarHBondContact ND2-CB 3.5Å; D460-A462 PolarHBondContact O-N 2.97Å; D460-A462 VanDerWaalsContact O-N 3.09Å; A462-L466 WeakPolarHBondContact O-CB 3.33Å; A462-L466 WeakPolarHBondContact O-CD1 3.09Å; A462-L466 WeakPolarHBondContact O-CG 3.32Å; A462-L466 PolarHBondContact O-N 3.25Å; A462-A488 HydrophobicContact CB-CB 4.03Å; A462-Y489 HydrophobicContact CB-CE2 3.98Å; A462-Y489 WeakPolarHBondContact CB-OH 3.49Å
463	L	60.1	Low	59.1	Low	36 Å²	36	57.5 Å²	57.5	19%	0.188	32%	0.32	C	S	.	.	H	α-helix	trans	-61.3	-49	179.5	-175	59.5	0	0	0	110.7	D460 L465 L466 S467 L485 Y489 L500	D460-L463 PolarHBondContact O-N 3.33Å; D460-L463 VanDerWaalsContact O-N 3.12Å; L463-L465 PolarHBondContact O-N 3.06Å; L463-L466 PolarHBondContact O-N 3.11Å; L463-S467 VanDerWaalsContact O-CB 3.22Å; L463-S467 WeakPolarHBondContact O-CB 3.17Å; L463-S467 PolarHBondContact O-N 2.95Å; L463-S467 PolarHBondContact O-OG 2.98Å; L463-L485 HydrophobicContact CD1-CD1 4.41Å; L463-Y489 HydrophobicContact CB-CE2 4.38Å; L463-Y489 WeakPolarHBondContact CB-OH 3.42Å; L463-Y489 PolarHBondContact N-OH 3.31Å; L463-L500 HydrophobicContact CD1-CD1 3.76Å
464	A	61	Low	59.6	Low	65 Å²	65	57.9 Å²	57.9	54%	0.537	32%	0.323	S	S	.	.	H	α-helix	trans	-65.3	-33	-176.9	0	0	0	0	0	114.5	D460	D460-A464 PolarHBondContact O-N 3.26Å
465	L	64.6	Low	60.2	Low	54 Å²	54	59.2 Å²	59.2	28%	0.283	32%	0.323	S	S	.	.	H	α-helix	trans	-85.8	-29.2	177.2	-69.7	171.8	0	0	0	113.1	L426 P461 L463 Y469	L426-L465 HydrophobicContact CD2-CD1 4.42Å; P461-L465 VanDerWaalsContact O-CB 3.27Å; P461-L465 WeakPolarHBondContact O-CB 3.23Å; P461-L465 VanDerWaalsContact O-CG 3.3Å; P461-L465 WeakPolarHBondContact O-CG 3.48Å; P461-L465 PolarHBondContact O-N 3.26Å; L463-L465 PolarHBondContact O-N 3.06Å; L465-Y469 WeakPolarHBondContact O-CD2 3.45Å
466	L	66.7	Low	60.9	Low	0 Å²	0	60.3 Å²	60.3	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-92.3	-26.6	-174.9	-60	174	0	0	0	113	L445 A462 L463 D468 Y469 V470 L485	L445-L466 HydrophobicContact CB-CD2 4Å; L445-L466 HydrophobicContact CD2-CD2 3.9Å; A462-L466 WeakPolarHBondContact O-CB 3.33Å; A462-L466 WeakPolarHBondContact O-CD1 3.09Å; A462-L466 WeakPolarHBondContact O-CG 3.32Å; A462-L466 PolarHBondContact O-N 3.25Å; L463-L466 PolarHBondContact O-N 3.11Å; L466-D468 VanDerWaalsContact C-N 3.25Å; L466-D468 PolarHBondContact O-N 3.32Å; L466-Y469 PolarHBondContact O-N 3.33Å; L466-V470 PolarHBondContact O-N 3.1Å; L466-V470 VanDerWaalsContact O-N 3.14Å; L466-L485 HydrophobicContact CB-CD1 4.16Å; L466-L485 HydrophobicContact CD1-CB 4.04Å; L466-L485 HydrophobicContact CD1-CD1 3.93Å
467	S	60	Low	61.8	Low	44 Å²	44	57.8 Å²	57.8	31%	0.308	32%	0.32	S	S	.	.	H	α-helix	trans	-55.3	-38	179.3	58.5	0	0	0	0	113.4	L463 Y469 V470	L463-S467 VanDerWaalsContact O-CB 3.22Å; L463-S467 WeakPolarHBondContact O-CB 3.17Å; L463-S467 PolarHBondContact O-N 2.95Å; L463-S467 PolarHBondContact O-OG 2.98Å; S467-Y469 PolarHBondContact O-N 2.96Å; S467-V470 WeakPolarHBondContact O-CG2 3.34Å
468	D	67	Low	62.7	Low	124 Å²	124	56.2 Å²	56.2	66%	0.663	31%	0.311	S	S	*	.	H	α-helix	trans	-71.9	-17.3	-178.7	-78.9	17.3	0	0	0	112.9	L466	L466-D468 VanDerWaalsContact C-N 3.25Å; L466-D468 PolarHBondContact O-N 3.32Å
469	Y	61.8	Low	64.1	Low	63 Å²	63	50 Å²	50	25%	0.247	28%	0.282	C	S	.	.	H	α-helix	trans	-111	-19.4	-174.3	-61.6	-61.2	0	0	0	115	L445 L465 L466 S467 L471 H472 M477 S481	L445-Y469 HydrophobicContact CD1-CD1 4.41Å; L445-Y469 HydrophobicContact CD1-CD2 3.71Å; L445-Y469 HydrophobicContact CD1-CE2 4.28Å; L445-Y469 HydrophobicContact CD1-CG 3.77Å; L445-Y469 HydrophobicContact CD2-CD2 3.37Å; L445-Y469 HydrophobicContact CD2-CE2 3.66Å; L445-Y469 HydrophobicContact CD2-CG 4.28Å; L445-Y469 HydrophobicContact CG-CD2 4.2Å; L465-Y469 WeakPolarHBondContact O-CD2 3.45Å; L466-Y469 PolarHBondContact O-N 3.33Å; S467-Y469 PolarHBondContact O-N 2.96Å; Y469-L471 PolarHBondContact O-N 3.37Å; Y469-H472 WeakPolarHBondContact O-CB 3.45Å; Y469-H472 PolarHBondContact O-N 3.36Å; Y469-H472 VanDerWaalsContact O-N 3.08Å; Y469-M477 HydrophobicContact CD1-CE 3.49Å; Y469-M477 VanDerWaalsContact CD1-CE 3.49Å; Y469-M477 HydrophobicContact CE1-CE 3.72Å; Y469-M477 HydrophobicContact CG-CE 4.32Å; Y469-S481 WeakPolarHBondContact CB-OG 3.47Å
470	V	61.7	Low	64.7	Low	12 Å²	12	45.1 Å²	45.1	7%	0.073	25%	0.25	C	C	.	.	H	α-helix	trans	-59.3	-30.4	175.4	-66	0	0	0	0	112.9	L466 S467 R478 I482 L485 L501	L466-V470 PolarHBondContact O-N 3.1Å; L466-V470 VanDerWaalsContact O-N 3.14Å; S467-V470 WeakPolarHBondContact O-CG2 3.34Å; V470-R478 WeakPolarHBondContact O-CG 3.44Å; V470-I482 HydrophobicContact CB-CG1 4.38Å; V470-I482 HydrophobicContact CG1-CG1 4.05Å; V470-L485 HydrophobicContact CG1-CD2 4.48Å; V470-L501 HydrophobicContact CG1-CD2 4.46Å
471	L	63	Low	65.5	Low	123 Å²	123	43.7 Å²	43.7	64%	0.644	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.2	2.1	178.4	-150.8	68.7	0	0	0	114.1	Y469 R478	Y469-L471 PolarHBondContact O-N 3.37Å; L471-R478 PolarHBondContact O-NH2 3.13Å
472	H	69.9	Low	66.4	Low	77 Å²	77	42.4 Å²	42.4	36%	0.356	23%	0.234	S	C	.	.			trans	-62.3	155.8	-173.6	-162	-110	0	0	0	113.2	Y469 S474 R478	Y469-H472 WeakPolarHBondContact O-CB 3.45Å; Y469-H472 PolarHBondContact O-N 3.36Å; Y469-H472 VanDerWaalsContact O-N 3.08Å; H472-S474 VanDerWaalsContact C-N 3.33Å; H472-S474 PolarHBondContact CE1-OG 2.92Å; H472-S474 PolarHBondContact ND1-N 3.18Å; H472-S474 PolarHBondContact ND1-OG 3.26Å; H472-S474 PolarHBondContact O-N 3.34Å; H472-R478 PolarHBondContact O-NE 2.98Å; H472-R478 PolarHBondContact O-NH2 3.45Å
473	N	62	Low	67.1	Low	132 Å²	132	42.5 Å²	42.5	71%	0.706	23%	0.234	S	C	*	.	S	Bend	trans	-78.1	-10.9	-175.6	-77.1	-74.1	0	0	0	114.3	K509	N473-K509 PolarHBondContact OD1-NZ 2.93Å; N473-K509 VanDerWaalsContact OD1-NZ 3.07Å
474	S	69.9	Low	67.5	Low	17 Å²	17	40.8 Å²	40.8	12%	0.119	23%	0.225	C	C	.	.	S	Bend	trans	-95.8	123.2	177.5	52.8	0	0	0	0	111.4	H472 T476 M477 R478	H472-S474 VanDerWaalsContact C-N 3.33Å; H472-S474 PolarHBondContact CE1-OG 2.92Å; H472-S474 PolarHBondContact ND1-N 3.18Å; H472-S474 PolarHBondContact ND1-OG 3.26Å; H472-S474 PolarHBondContact O-N 3.34Å; S474-T476 VanDerWaalsContact C-N 3.27Å; S474-T476 PolarHBondContact O-N 3.21Å; S474-M477 PolarHBondContact O-N 2.89Å; S474-M477 WeakPolarHBondContact OG-CB 3.34Å; S474-M477 WeakPolarHBondContact OG-CG 3.46Å; S474-M477 PolarHBondContact OG-SD 3.28Å; S474-R478 PolarHBondContact O-N 2.85Å; S474-R478 VanDerWaalsContact O-N 3.1Å
475	N	68.9	Low	68	Low	57 Å²	57	37.9 Å²	37.9	31%	0.305	20%	0.2	S	C	.	.	H	α-helix	trans	-58.1	-36.2	-172.3	-165.6	65.8	0	0	0	113.5	L479 S511 V514	N475-L479 VanDerWaalsContact O-CB 3.32Å; N475-L479 WeakPolarHBondContact O-CB 3.31Å; N475-L479 PolarHBondContact O-N 3.01Å; N475-S511 VanDerWaalsContact CG-OG 3.22Å; N475-S511 PolarHBondContact ND2-OG 2.76Å; N475-S511 VanDerWaalsContact OD1-CB 3.26Å; N475-S511 WeakPolarHBondContact OD1-CB 3.33Å; N475-S511 PolarHBondContact OD1-OG 3.43Å; N475-V514 VanDerWaalsContact OD1-CG2 3.25Å; N475-V514 WeakPolarHBondContact OD1-CG2 3.37Å
476	T	70.7	Confident	68.2	Low	34 Å²	34	35.3 Å²	35.3	21%	0.209	19%	0.186	C	C	.	.	H	α-helix	trans	-70	-42.3	179.3	43.8	0	0	0	0	113	Y439 S442 S474 L479 G480	Y439-T476 HydrophobicContact CD1-CG2 4.23Å; Y439-T476 HydrophobicContact CE1-CG2 3.82Å; S442-T476 WeakPolarHBondContact CB-O 3.32Å; S442-T476 WeakPolarHBondContact OG-CB 3.5Å; S442-T476 PolarHBondContact OG-O 3Å; S474-T476 VanDerWaalsContact C-N 3.27Å; S474-T476 PolarHBondContact O-N 3.21Å; T476-L479 PolarHBondContact O-N 3.34Å; T476-G480 PolarHBondContact O-N 2.79Å
477	M	73.6	Confident	68.2	Low	4 Å²	4	35.4 Å²	35.4	2%	0.02	19%	0.187	C	C	.	.	H	α-helix	trans	-70.2	-40	178.8	-67.3	177.2	60.9	0	0	110.8	D438 K441 S442 L445 Y469 S474 G480 S481	D438-M477 HydrophobicContact CB-SD 4.45Å; K441-M477 HydrophobicContact CB-CE 4.34Å; K441-M477 HydrophobicContact CB-SD 4.4Å; K441-M477 HydrophobicContact CD-CE 4.07Å; K441-M477 HydrophobicContact CD-SD 4.3Å; S442-M477 VanDerWaalsContact OG-CA 3.28Å; S442-M477 WeakPolarHBondContact OG-CA 3.39Å; S442-M477 WeakPolarHBondContact OG-CG 3.24Å; S442-M477 PolarHBondContact OG-N 2.76Å; S442-M477 VanDerWaalsContact OG-N 3.12Å; L445-M477 HydrophobicContact CD1-CE 4.34Å; Y469-M477 HydrophobicContact CD1-CE 3.49Å; Y469-M477 VanDerWaalsContact CD1-CE 3.49Å; Y469-M477 HydrophobicContact CE1-CE 3.72Å; Y469-M477 HydrophobicContact CG-CE 4.32Å; S474-M477 PolarHBondContact O-N 2.89Å; S474-M477 WeakPolarHBondContact OG-CB 3.34Å; S474-M477 WeakPolarHBondContact OG-CG 3.46Å; S474-M477 PolarHBondContact OG-SD 3.28Å; M477-G480 PolarHBondContact O-N 2.87Å; M477-S481 WeakPolarHBondContact O-CB 3.42Å; M477-S481 PolarHBondContact O-N 3.33Å; M477-S481 PolarHBondContact O-OG 2.92Å
478	R	72.9	Confident	68.6	Low	16 Å²	16	33.8 Å²	33.8	6%	0.06	18%	0.176	C	C	.	.	H	α-helix	trans	-55.1	-53.6	170.7	179.9	174.5	-65.8	-157.9	-5.1	110.7	V470 L471 H472 S474 S481 I482 V504 D507 S510 V514	V470-R478 WeakPolarHBondContact O-CG 3.44Å; L471-R478 PolarHBondContact O-NH2 3.13Å; H472-R478 PolarHBondContact O-NE 2.98Å; H472-R478 PolarHBondContact O-NH2 3.45Å; S474-R478 PolarHBondContact O-N 2.85Å; S474-R478 VanDerWaalsContact O-N 3.1Å; R478-S481 PolarHBondContact O-N 3.06Å; R478-I482 HydrophobicContact CG-CD1 3.63Å; R478-I482 WeakPolarHBondContact O-CD1 3.48Å; R478-I482 WeakPolarHBondContact O-CG1 3.5Å; R478-I482 PolarHBondContact O-N 3.36Å; R478-V504 HydrophobicContact CG-CG1 4.37Å; R478-D507 IonicContact CZ-OD2 2.71Å; R478-D507 IonicContact NH1-OD2 2.74Å; R478-D507 PolarHBondContact NH1-OD2 3.34Å; R478-D507 IonicContact NH2-OD2 3.87Å; R478-S510 PolarHBondContact NH1-OG 3.34Å; R478-V514 HydrophobicContact CB-CG2 4.5Å; R478-V514 HydrophobicContact CG-CG1 3.95Å; R478-V514 HydrophobicContact CG-CG2 4.16Å
479	L	71.6	Confident	68.6	Low	25 Å²	25	28.3 Å²	28.3	13%	0.131	15%	0.146	C	C	.	.	H	α-helix	trans	-59.4	-48.8	179.4	-169.2	159.1	0	0	0	112.6	N475 T476 S481 I482 F483 E513 V514 V517	N475-L479 VanDerWaalsContact O-CB 3.32Å; N475-L479 WeakPolarHBondContact O-CB 3.31Å; N475-L479 PolarHBondContact O-N 3.01Å; T476-L479 PolarHBondContact O-N 3.34Å; L479-S481 VanDerWaalsContact C-N 3.33Å; L479-S481 PolarHBondContact O-N 3.23Å; L479-I482 PolarHBondContact O-N 3.26Å; L479-F483 WeakPolarHBondContact O-CB 3.23Å; L479-F483 PolarHBondContact O-N 2.91Å; L479-E513 HydrophobicContact CD1-CB 4.18Å; L479-V514 HydrophobicContact CB-CG2 4.09Å; L479-V517 HydrophobicContact CD1-CG2 4.23Å; L479-V517 HydrophobicContact CD2-CG1 4.47Å; L479-V517 HydrophobicContact CD2-CG2 4.3Å; L479-V517 HydrophobicContact CG-CB 4.35Å; L479-V517 HydrophobicContact CG-CG1 4.31Å; L479-V517 HydrophobicContact CG-CG2 4.05Å
480	G	64.1	Low	68.6	Low	2 Å²	2	26 Å²	26	2%	0.021	14%	0.141	C	C	.	.	H	α-helix	trans	-63.1	-37.1	-179.8	0	0	0	0	0	113.4	T476 M477 G484	T476-G480 PolarHBondContact O-N 2.79Å; M477-G480 PolarHBondContact O-N 2.87Å; G480-G484 PolarHBondContact O-N 3.11Å
481	S	73	Confident	68.5	Low	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-71.8	-43.7	179.2	-49.5	0	0	0	0	112.1	Y469 M477 R478 L479 G484 L485	Y469-S481 WeakPolarHBondContact CB-OG 3.47Å; M477-S481 WeakPolarHBondContact O-CB 3.42Å; M477-S481 PolarHBondContact O-N 3.33Å; M477-S481 PolarHBondContact O-OG 2.92Å; R478-S481 PolarHBondContact O-N 3.06Å; L479-S481 VanDerWaalsContact C-N 3.33Å; L479-S481 PolarHBondContact O-N 3.23Å; S481-G484 PolarHBondContact O-N 3.25Å; S481-L485 WeakPolarHBondContact O-CB 3.1Å; S481-L485 PolarHBondContact O-N 3.48Å
482	I	74.6	Confident	68.3	Low	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-65	-43.3	178.5	-66.2	163.6	0	0	0	111	V470 R478 L479 L485 G486 L501 V504 V514 V517 T518 A521	V470-I482 HydrophobicContact CB-CG1 4.38Å; V470-I482 HydrophobicContact CG1-CG1 4.05Å; R478-I482 HydrophobicContact CG-CD1 3.63Å; R478-I482 WeakPolarHBondContact O-CD1 3.48Å; R478-I482 WeakPolarHBondContact O-CG1 3.5Å; R478-I482 PolarHBondContact O-N 3.36Å; L479-I482 PolarHBondContact O-N 3.26Å; I482-L485 PolarHBondContact O-N 2.94Å; I482-G486 PolarHBondContact O-N 3.38Å; I482-L501 HydrophobicContact CB-CD2 4.31Å; I482-L501 HydrophobicContact CG1-CD2 3.93Å; I482-L501 HydrophobicContact CG2-CD2 3.93Å; I482-V504 HydrophobicContact CD1-CB 4.48Å; I482-V504 HydrophobicContact CD1-CG1 3.66Å; I482-V514 HydrophobicContact CD1-CG1 4.07Å; I482-V517 HydrophobicContact CG2-CG1 4.43Å; I482-T518 HydrophobicContact CG2-CG2 4.3Å; I482-A521 HydrophobicContact CG2-CB 3.81Å
483	F	70.9	Confident	67.9	Low	8 Å²	8	20.6 Å²	20.6	4%	0.035	12%	0.119	C	C	.	.	H	α-helix	trans	-69.4	-37.5	178	-164.3	-127.1	0	0	0	111.9	L446 L479 G486 L487 V517 L520 Y816	L446-F483 HydrophobicContact CD1-CB 4.34Å; L446-F483 HydrophobicContact CD1-CD1 3.58Å; L446-F483 HydrophobicContact CD1-CE1 4.32Å; L446-F483 HydrophobicContact CD1-CG 4.32Å; L446-F483 HydrophobicContact CD2-CD1 4.16Å; L479-F483 WeakPolarHBondContact O-CB 3.23Å; L479-F483 PolarHBondContact O-N 2.91Å; F483-G486 PolarHBondContact O-N 3.19Å; F483-L487 HydrophobicContact CD1-CD1 4.01Å; F483-L487 HydrophobicContact CE1-CD1 3.81Å; F483-L487 HydrophobicContact CG-CD1 4.46Å; F483-L487 HydrophobicContact CZ-CD1 4.11Å; F483-L487 HydrophobicContact CZ-CG 4.5Å; F483-L487 WeakPolarHBondContact O-CG 3.14Å; F483-L487 PolarHBondContact O-N 3.34Å; F483-V517 HydrophobicContact CB-CG1 3.8Å; F483-V517 HydrophobicContact CD2-CG1 4.09Å; F483-V517 HydrophobicContact CG-CG1 4.25Å; F483-L520 HydrophobicContact CE2-CD2 4.37Å; F483-Y816 WeakPolarHBondContact CE1-O 3.42Å
484	G	69.1	Low	67.9	Low	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-61.4	-42.9	171.2	0	0	0	0	0	112.8	G449 G480 S481 L487 A488	G449-G484 WeakPolarHBondContact CA-O 3.5Å; G480-G484 PolarHBondContact O-N 3.11Å; S481-G484 PolarHBondContact O-N 3.25Å; G484-L487 PolarHBondContact O-N 3.04Å; G484-A488 WeakPolarHBondContact O-CB 3.29Å; G484-A488 PolarHBondContact O-N 2.73Å
485	L	72.4	Confident	67.5	Low	3 Å²	3	21.9 Å²	21.9	2%	0.016	12%	0.118	C	C	.	.	H	α-helix	trans	-67.3	-39.3	178.4	-163.9	72.8	0	0	0	112	L463 L466 V470 S481 I482 L487 Y489 V497 L501	L463-L485 HydrophobicContact CD1-CD1 4.41Å; L466-L485 HydrophobicContact CB-CD1 4.16Å; L466-L485 HydrophobicContact CD1-CB 4.04Å; L466-L485 HydrophobicContact CD1-CD1 3.93Å; V470-L485 HydrophobicContact CG1-CD2 4.48Å; S481-L485 WeakPolarHBondContact O-CB 3.1Å; S481-L485 PolarHBondContact O-N 3.48Å; I482-L485 PolarHBondContact O-N 2.94Å; L485-L487 VanDerWaalsContact C-N 3.34Å; L485-Y489 HydrophobicContact CD1-CD2 3.82Å; L485-Y489 HydrophobicContact CD1-CE2 3.6Å; L485-Y489 HydrophobicContact CG-CD2 4.17Å; L485-Y489 HydrophobicContact CG-CE2 4.44Å; L485-Y489 PolarHBondContact O-N 3.31Å; L485-V497 HydrophobicContact CD1-CG1 4.25Å; L485-V497 HydrophobicContact CD2-CG1 3.8Å; L485-V497 HydrophobicContact CG-CG1 3.76Å; L485-L501 HydrophobicContact CD2-CD1 4.19Å; L485-L501 HydrophobicContact CD2-CD2 3.92Å; L485-L501 HydrophobicContact CD2-CG 4Å
486	G	67.9	Low	67.3	Low	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-69	-26.1	175.6	0	0	0	0	0	114.7	I482 F483 A490	I482-G486 PolarHBondContact O-N 3.38Å; F483-G486 PolarHBondContact O-N 3.19Å; G486-A490 PolarHBondContact O-N 3.07Å
487	L	67.1	Low	67.2	Low	3 Å²	3	22.6 Å²	22.6	2%	0.016	12%	0.121	C	C	.	.	H	α-helix	trans	-81.1	-43.7	171.9	-72.3	168	0	0	0	111.8	L446 I450 F483 G484 L485 Y489 A490 M524 A823	L446-L487 HydrophobicContact CD1-CD1 3.89Å; I450-L487 HydrophobicContact CG1-CD1 4.32Å; F483-L487 HydrophobicContact CD1-CD1 4.01Å; F483-L487 HydrophobicContact CE1-CD1 3.81Å; F483-L487 HydrophobicContact CG-CD1 4.46Å; F483-L487 HydrophobicContact CZ-CD1 4.11Å; F483-L487 HydrophobicContact CZ-CG 4.5Å; F483-L487 WeakPolarHBondContact O-CG 3.14Å; F483-L487 PolarHBondContact O-N 3.34Å; G484-L487 PolarHBondContact O-N 3.04Å; L485-L487 VanDerWaalsContact C-N 3.34Å; L487-Y489 VanDerWaalsContact C-N 3.32Å; L487-Y489 PolarHBondContact O-N 2.89Å; L487-A490 PolarHBondContact O-N 3.41Å; L487-M524 HydrophobicContact CD2-CE 3.69Å; L487-A823 HydrophobicContact CD2-CB 4.24Å
488	A	68	Low	67	Low	10 Å²	10	22.6 Å²	22.6	8%	0.083	12%	0.121	C	C	.	.	H	α-helix	trans	-57.4	-42.4	179	0	0	0	0	0	112.9	N452 A462 G484	N452-A488 WeakPolarHBondContact OD1-CB 3.4Å; A462-A488 HydrophobicContact CB-CB 4.03Å; G484-A488 WeakPolarHBondContact O-CB 3.29Å; G484-A488 PolarHBondContact O-N 2.73Å
489	Y	67.4	Low	66.9	Low	8 Å²	8	25.4 Å²	25.4	3%	0.031	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.9	22.9	-175	-60	-65	0	0	0	113.9	D460 A462 L463 L485 L487 G491 S492 R494 V497	D460-Y489 PolarHBondContact OD1-OH 3.35Å; A462-Y489 HydrophobicContact CB-CE2 3.98Å; A462-Y489 WeakPolarHBondContact CB-OH 3.49Å; L463-Y489 HydrophobicContact CB-CE2 4.38Å; L463-Y489 WeakPolarHBondContact CB-OH 3.42Å; L463-Y489 PolarHBondContact N-OH 3.31Å; L485-Y489 HydrophobicContact CD1-CD2 3.82Å; L485-Y489 HydrophobicContact CD1-CE2 3.6Å; L485-Y489 HydrophobicContact CG-CD2 4.17Å; L485-Y489 HydrophobicContact CG-CE2 4.44Å; L485-Y489 PolarHBondContact O-N 3.31Å; L487-Y489 VanDerWaalsContact C-N 3.32Å; L487-Y489 PolarHBondContact O-N 2.89Å; Y489-G491 PolarHBondContact O-N 2.54Å; Y489-S492 WeakPolarHBondContact O-CB 3.19Å; Y489-S492 PolarHBondContact O-N 2.93Å; Y489-S492 VanDerWaalsContact O-N 3.09Å; Y489-R494 VanDerWaalsContact CZ-NH2 3.28Å; Y489-R494 PolarHBondContact OH-NH2 3.1Å; Y489-V497 HydrophobicContact CD2-CB 4.45Å; Y489-V497 HydrophobicContact CD2-CG1 3.69Å; Y489-V497 HydrophobicContact CD2-CG2 3.91Å; Y489-V497 HydrophobicContact CE2-CG1 4.38Å; Y489-V497 HydrophobicContact CE2-CG2 4.13Å; Y489-V497 HydrophobicContact CG-CG1 4.27Å; Y489-V497 HydrophobicContact CG-CG2 4.16Å
490	A	62.9	Low	66.9	Low	16 Å²	16	28.1 Å²	28.1	13%	0.132	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	128.9	173.9	0	0	0	0	0	110.7	G486 L487 S492 M524 V791	G486-A490 PolarHBondContact O-N 3.07Å; L487-A490 PolarHBondContact O-N 3.41Å; A490-S492 PolarHBondContact O-N 3.13Å; A490-S492 VanDerWaalsContact O-N 3.15Å; A490-M524 CarbonylContact C-O 3.56Å; A490-M524 VanDerWaalsContact CA-O 3.31Å; A490-M524 WeakPolarHBondContact CA-O 3.27Å; A490-M524 HydrophobicContact CB-CB 4.42Å; A490-V791 HydrophobicContact CB-CG1 4.14Å
491	G	57.9	Low	67.3	Low	16 Å²	16	28 Å²	28	17%	0.165	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.5	-4.8	-176.6	0	0	0	0	0	116.4	Y489 N493 M524	Y489-G491 PolarHBondContact O-N 2.54Å; G491-N493 VanDerWaalsContact C-N 3.28Å; G491-N493 PolarHBondContact O-N 3.05Å; G491-M524 PolarHBondContact N-O 2.96Å
492	S	60.3	Low	67.2	Low	16 Å²	16	29.3 Å²	29.3	11%	0.112	16%	0.159	C	C	.	.			trans	-78.8	-6.6	-177.8	-56.8	0	0	0	0	114.5	Y489 A490 R494	Y489-S492 WeakPolarHBondContact O-CB 3.19Å; Y489-S492 PolarHBondContact O-N 2.93Å; Y489-S492 VanDerWaalsContact O-N 3.09Å; A490-S492 PolarHBondContact O-N 3.13Å; A490-S492 VanDerWaalsContact O-N 3.15Å; S492-R494 PolarHBondContact O-N 2.99Å
493	N	60	Low	67	Low	65 Å²	65	33.2 Å²	33.2	35%	0.348	19%	0.185	S	C	.	.			trans	47.4	17.8	176	-156.3	40.6	0	0	0	118.3	G491 E495 I525 S529 N531	G491-N493 VanDerWaalsContact C-N 3.28Å; G491-N493 PolarHBondContact O-N 3.05Å; N493-E495 PolarHBondContact O-N 3.41Å; N493-I525 PolarHBondContact N-O 3.13Å; N493-S529 VanDerWaalsContact OD1-CB 3.28Å; N493-S529 WeakPolarHBondContact OD1-CB 3.27Å; N493-S529 PolarHBondContact OD1-OG 2.81Å; N493-N531 PolarHBondContact OD1-ND2 3.31Å; N493-N531 PolarHBondContact OD1-OD1 3.29Å
494	R	62	Low	66.9	Low	34 Å²	34	33 Å²	33	13%	0.128	18%	0.184	C	C	.	.			trans	-72.1	121.5	-175.8	-78.6	-153.8	-65.3	179	-6.1	113.7	D460 Y489 S492 D496 V497 L498	D460-R494 VanDerWaalsContact CG-NH2 3.27Å; D460-R494 IonicContact OD1-CZ 3.69Å; D460-R494 IonicContact OD1-NH2 2.92Å; D460-R494 PolarHBondContact OD1-NH2 3.04Å; D460-R494 IonicContact OD2-CZ 2.78Å; D460-R494 VanDerWaalsContact OD2-CZ 3.22Å; D460-R494 IonicContact OD2-NH1 3.21Å; D460-R494 PolarHBondContact OD2-NH1 2.78Å; D460-R494 IonicContact OD2-NH2 3.77Å; D460-R494 PolarHBondContact OD2-NH2 3.45Å; Y489-R494 VanDerWaalsContact CZ-NH2 3.28Å; Y489-R494 PolarHBondContact OH-NH2 3.1Å; S492-R494 PolarHBondContact O-N 2.99Å; R494-D496 VanDerWaalsContact C-N 3.34Å; R494-D496 PolarHBondContact O-N 2.9Å; R494-V497 HydrophobicContact CB-CB 4.45Å; R494-V497 HydrophobicContact CB-CG2 4.01Å; R494-V497 PolarHBondContact O-N 3.37Å; R494-L498 PolarHBondContact O-N 3.33Å; R494-L498 VanDerWaalsContact O-N 3.12Å
495	E	61.9	Low	66.6	Low	143 Å²	143	33.5 Å²	33.5	67%	0.668	19%	0.187	S	C	*	.	H	α-helix	trans	-62.4	-34.2	176.4	-62	-172.1	171.2	0	0	113.3	N493 V497 L498 T499	N493-E495 PolarHBondContact O-N 3.41Å; E495-V497 PolarHBondContact O-N 2.86Å; E495-L498 WeakPolarHBondContact O-CB 3.31Å; E495-L498 PolarHBondContact O-N 3.13Å; E495-T499 WeakPolarHBondContact O-CB 3.19Å; E495-T499 VanDerWaalsContact O-CG2 3.31Å; E495-T499 WeakPolarHBondContact O-CG2 3.44Å; E495-T499 PolarHBondContact O-N 3.01Å; E495-T499 PolarHBondContact O-OG1 3.04Å
496	D	65.2	Low	66.1	Low	106 Å²	106	35.8 Å²	35.8	57%	0.567	21%	0.211	S	C	*	.	H	α-helix	trans	-60.9	-45.2	176.7	-66.3	-38.7	0	0	0	112.4	R494 L498 T499 L500	R494-D496 VanDerWaalsContact C-N 3.34Å; R494-D496 PolarHBondContact O-N 2.9Å; D496-L498 VanDerWaalsContact C-N 3.31Å; D496-T499 PolarHBondContact O-OG1 3.09Å; D496-L500 WeakPolarHBondContact O-CG 3.43Å; D496-L500 PolarHBondContact O-N 3.32Å
497	V	69.1	Low	66.1	Low	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-68.2	-38.4	178	-175.1	0	0	0	0	109.8	L485 Y489 R494 E495 L501 I525	L485-V497 HydrophobicContact CD1-CG1 4.25Å; L485-V497 HydrophobicContact CD2-CG1 3.8Å; L485-V497 HydrophobicContact CG-CG1 3.76Å; Y489-V497 HydrophobicContact CD2-CB 4.45Å; Y489-V497 HydrophobicContact CD2-CG1 3.69Å; Y489-V497 HydrophobicContact CD2-CG2 3.91Å; Y489-V497 HydrophobicContact CE2-CG1 4.38Å; Y489-V497 HydrophobicContact CE2-CG2 4.13Å; Y489-V497 HydrophobicContact CG-CG1 4.27Å; Y489-V497 HydrophobicContact CG-CG2 4.16Å; R494-V497 HydrophobicContact CB-CB 4.45Å; R494-V497 HydrophobicContact CB-CG2 4.01Å; R494-V497 PolarHBondContact O-N 3.37Å; E495-V497 PolarHBondContact O-N 2.86Å; V497-L501 PolarHBondContact O-N 3.39Å; V497-I525 HydrophobicContact CG1-CD1 3.94Å
498	L	69.4	Low	65.5	Low	4 Å²	4	43.9 Å²	43.9	2%	0.021	26%	0.263	C	S	.	.	H	α-helix	trans	-63.5	-52.6	178.2	-158.3	93.9	0	0	0	111.9	R494 E495 D496 L500 L501 L502 I525 A526 V534	R494-L498 PolarHBondContact O-N 3.33Å; R494-L498 VanDerWaalsContact O-N 3.12Å; E495-L498 WeakPolarHBondContact O-CB 3.31Å; E495-L498 PolarHBondContact O-N 3.13Å; D496-L498 VanDerWaalsContact C-N 3.31Å; L498-L500 PolarHBondContact O-N 3.15Å; L498-L501 WeakPolarHBondContact O-CA 3.45Å; L498-L501 PolarHBondContact O-N 3.2Å; L498-L502 HydrophobicContact CD2-CD1 4.09Å; L498-L502 HydrophobicContact CD2-CD2 4.45Å; L498-L502 HydrophobicContact CD2-CG 4.37Å; L498-L502 HydrophobicContact CG-CD2 4.34Å; L498-L502 HydrophobicContact CG-CG 4.36Å; L498-L502 WeakPolarHBondContact O-CG 3.37Å; L498-L502 PolarHBondContact O-N 2.93Å; L498-I525 HydrophobicContact CD1-CG2 4.27Å; L498-A526 HydrophobicContact CD1-CB 4.29Å; L498-V534 HydrophobicContact CD1-CG2 3.47Å; L498-V534 VanDerWaalsContact CD1-CG2 3.47Å; L498-V534 HydrophobicContact CD2-CG2 3.53Å; L498-V534 HydrophobicContact CG-CG2 3.93Å
499	T	70.4	Confident	64.9	Low	75 Å²	75	50.4 Å²	50.4	46%	0.46	29%	0.29	S	S	.	.	H	α-helix	trans	-67.2	-18.2	-177.2	53.2	0	0	0	0	113.4	E495 D496 P503	E495-T499 WeakPolarHBondContact O-CB 3.19Å; E495-T499 VanDerWaalsContact O-CG2 3.31Å; E495-T499 WeakPolarHBondContact O-CG2 3.44Å; E495-T499 PolarHBondContact O-N 3.01Å; E495-T499 PolarHBondContact O-OG1 3.04Å; D496-T499 PolarHBondContact O-OG1 3.09Å; T499-P503 WeakPolarHBondContact O-CD 3.31Å; T499-P503 WeakPolarHBondContact O-CG 3.32Å
500	L	71.8	Confident	64.6	Low	81 Å²	81	51 Å²	51	42%	0.424	30%	0.296	S	S	.	.	H	α-helix	trans	-77.3	-28	166.5	-72.1	168.9	0	0	0	113.3	L463 D496 L498	L463-L500 HydrophobicContact CD1-CD1 3.76Å; D496-L500 WeakPolarHBondContact O-CG 3.43Å; D496-L500 PolarHBondContact O-N 3.32Å; L498-L500 PolarHBondContact O-N 3.15Å
501	L	71.4	Confident	64.7	Low	0 Å²	0	51.8 Å²	51.8	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-88.5	-34.7	178	-70	-179.5	0	0	0	113.8	V470 I482 L485 V497 L498 V504 M505 A521 I525	V470-L501 HydrophobicContact CG1-CD2 4.46Å; I482-L501 HydrophobicContact CB-CD2 4.31Å; I482-L501 HydrophobicContact CG1-CD2 3.93Å; I482-L501 HydrophobicContact CG2-CD2 3.93Å; L485-L501 HydrophobicContact CD2-CD1 4.19Å; L485-L501 HydrophobicContact CD2-CD2 3.92Å; L485-L501 HydrophobicContact CD2-CG 4Å; V497-L501 PolarHBondContact O-N 3.39Å; L498-L501 WeakPolarHBondContact O-CA 3.45Å; L498-L501 PolarHBondContact O-N 3.2Å; L501-V504 WeakPolarHBondContact O-CB 3.3Å; L501-V504 PolarHBondContact O-N 3.38Å; L501-M505 PolarHBondContact O-N 3.26Å; L501-A521 HydrophobicContact CD1-CB 4.35Å; L501-I525 HydrophobicContact CD1-CD1 3.62Å
502	L	71.9	Confident	64.9	Low	27 Å²	27	52 Å²	52	14%	0.141	30%	0.297	C	S	.	.	H	α-helix	trans	-54.4	-41.6	-179.5	-61.2	-171	0	0	0	113.7	L498 V504 M505 G506 D533 T537	L498-L502 HydrophobicContact CD2-CD1 4.09Å; L498-L502 HydrophobicContact CD2-CD2 4.45Å; L498-L502 HydrophobicContact CD2-CG 4.37Å; L498-L502 HydrophobicContact CG-CD2 4.34Å; L498-L502 HydrophobicContact CG-CG 4.36Å; L498-L502 WeakPolarHBondContact O-CG 3.37Å; L498-L502 PolarHBondContact O-N 2.93Å; L502-V504 PolarHBondContact O-N 3.09Å; L502-M505 WeakPolarHBondContact O-CB 3.5Å; L502-M505 PolarHBondContact O-N 3.36Å; L502-G506 PolarHBondContact O-N 2.92Å; L502-D533 HydrophobicContact CD1-CB 3.97Å; L502-T537 HydrophobicContact CB-CG2 4.46Å; L502-T537 HydrophobicContact CD1-CG2 4.14Å; L502-T537 HydrophobicContact CD2-CG2 4.36Å; L502-T537 WeakPolarHBondContact CD2-OG1 3.42Å
503	P	71.3	Confident	65	Low	82 Å²	82	53.2 Å²	53.2	53%	0.532	30%	0.301	S	S	.	.	H	α-helix	trans	-64.6	-25.5	175.7	-23.6	35.2	0	0	0	114	T499 M505 G506 D507	T499-P503 WeakPolarHBondContact O-CD 3.31Å; T499-P503 WeakPolarHBondContact O-CG 3.32Å; P503-M505 VanDerWaalsContact C-N 3.32Å; P503-G506 PolarHBondContact O-N 2.79Å; P503-D507 PolarHBondContact O-N 3.15Å
504	V	66.8	Low	65.4	Low	3 Å²	3	50.1 Å²	50.1	2%	0.018	28%	0.284	C	S	.	.	H	α-helix	trans	-76.6	-24.5	179.6	-167.1	0	0	0	0	111.6	R478 I482 L501 L502 S510 V514	R478-V504 HydrophobicContact CG-CG1 4.37Å; I482-V504 HydrophobicContact CD1-CB 4.48Å; I482-V504 HydrophobicContact CD1-CG1 3.66Å; L501-V504 WeakPolarHBondContact O-CB 3.3Å; L501-V504 PolarHBondContact O-N 3.38Å; L502-V504 PolarHBondContact O-N 3.09Å; V504-S510 PolarHBondContact O-OG 2.97Å; V504-V514 HydrophobicContact CG1-CG1 4.36Å
505	M	63.4	Low	65.6	Low	12 Å²	12	48.7 Å²	48.7	6%	0.059	28%	0.28	C	S	.	.	H	α-helix	trans	-67.8	-47.8	169.5	-174.8	62.1	75.7	0	0	111.8	L501 L502 P503 D507 A515 T518 A519 T541 L558	L501-M505 PolarHBondContact O-N 3.26Å; L502-M505 WeakPolarHBondContact O-CB 3.5Å; L502-M505 PolarHBondContact O-N 3.36Å; P503-M505 VanDerWaalsContact C-N 3.32Å; M505-D507 VanDerWaalsContact C-N 3.29Å; M505-D507 PolarHBondContact O-N 3.41Å; M505-A515 WeakPolarHBondContact CE-O 3.23Å; M505-A515 HydrophobicContact SD-CB 4.32Å; M505-T518 HydrophobicContact CB-CG2 4.36Å; M505-T518 HydrophobicContact CE-CG2 4.05Å; M505-A519 VanDerWaalsContact CE-CA 3.46Å; M505-A519 HydrophobicContact CE-CB 3.6Å; M505-T541 HydrophobicContact CG-CG2 4.17Å; M505-T541 WeakPolarHBondContact CG-OG1 3.49Å; M505-T541 HydrophobicContact SD-CG2 3.75Å; M505-L558 HydrophobicContact CE-CD2 4.32Å; M505-L558 HydrophobicContact SD-CD2 4.17Å
506	G	61.3	Low	65.7	Low	50 Å²	50	41.9 Å²	41.9	52%	0.515	25%	0.248	S	C	.	.	H	α-helix	trans	-75.5	-9.7	-178.4	0	0	0	0	0	115.2	L502 P503 S508	L502-G506 PolarHBondContact O-N 2.92Å; P503-G506 PolarHBondContact O-N 2.79Å; G506-S508 PolarHBondContact O-N 3.33Å
507	D	69	Low	65.9	Low	50 Å²	50	37.2 Å²	37.2	27%	0.267	22%	0.224	S	C	.	.			trans	-69.7	100.7	176.8	-178.8	13	0	0	0	111	R478 P503 M505 K509 S510	R478-D507 IonicContact CZ-OD2 2.71Å; R478-D507 IonicContact NH1-OD2 2.74Å; R478-D507 PolarHBondContact NH1-OD2 3.34Å; R478-D507 IonicContact NH2-OD2 3.87Å; P503-D507 PolarHBondContact O-N 3.15Å; M505-D507 VanDerWaalsContact C-N 3.29Å; M505-D507 PolarHBondContact O-N 3.41Å; D507-K509 PolarHBondContact O-N 3.47Å; D507-K509 WeakPolarHBondContact OD1-CB 3.49Å; D507-K509 PolarHBondContact OD1-N 3.06Å; D507-S510 VanDerWaalsContact O-CB 3.26Å; D507-S510 WeakPolarHBondContact O-CB 3.14Å; D507-S510 PolarHBondContact O-N 3.01Å
508	S	54	Low	65.9	Low	123 Å²	123	37.2 Å²	37.2	86%	0.86	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-3.1	176.6	-30.2	0	0	0	0	114.3	G506	G506-S508 PolarHBondContact O-N 3.33Å
509	K	56.3	Low	65.8	Low	147 Å²	147	37 Å²	37	64%	0.639	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-14.6	171.3	-161	-170.8	172.8	-162.1	0	112.7	N473 D507	N473-K509 PolarHBondContact OD1-NZ 2.93Å; N473-K509 VanDerWaalsContact OD1-NZ 3.07Å; D507-K509 PolarHBondContact O-N 3.47Å; D507-K509 WeakPolarHBondContact OD1-CB 3.49Å; D507-K509 PolarHBondContact OD1-N 3.06Å
510	S	59.9	Low	65.7	Low	22 Å²	22	33.5 Å²	33.5	15%	0.154	20%	0.201	C	C	.	.	S	Bend	trans	-66	142.4	174.9	-76.1	0	0	0	0	111.2	R478 V504 D507	R478-S510 PolarHBondContact NH1-OG 3.34Å; V504-S510 PolarHBondContact O-OG 2.97Å; D507-S510 VanDerWaalsContact O-CB 3.26Å; D507-S510 WeakPolarHBondContact O-CB 3.14Å; D507-S510 PolarHBondContact O-N 3.01Å
511	S	65.1	Low	65.7	Low	32 Å²	32	29.7 Å²	29.7	22%	0.224	18%	0.181	C	C	.	.			trans	-70.4	157.8	170.4	69.5	0	0	0	0	111.4	N475 E513 V514 A515	N475-S511 VanDerWaalsContact CG-OG 3.22Å; N475-S511 PolarHBondContact ND2-OG 2.76Å; N475-S511 VanDerWaalsContact OD1-CB 3.26Å; N475-S511 WeakPolarHBondContact OD1-CB 3.33Å; N475-S511 PolarHBondContact OD1-OG 3.43Å; S511-E513 PolarHBondContact O-N 2.99Å; S511-V514 PolarHBondContact O-N 3.08Å; S511-V514 PolarHBondContact OG-N 3.05Å; S511-A515 PolarHBondContact O-N 3.42Å
512	M	62.4	Low	65.5	Low	21 Å²	21	29.8 Å²	29.8	10%	0.103	18%	0.182	C	C	.	.	H	α-helix	trans	-54	-36.1	170.6	179.4	61.1	76.4	0	0	112.4	V514 A515 G516 K545 E549 D552 Y554	M512-V514 VanDerWaalsContact C-N 3.33Å; M512-V514 PolarHBondContact O-N 3.28Å; M512-A515 PolarHBondContact O-N 3.42Å; M512-G516 PolarHBondContact O-N 3.42Å; M512-K545 HydrophobicContact CE-CD 3.94Å; M512-K545 VanDerWaalsContact CE-CE 3.5Å; M512-K545 PolarHBondContact SD-NZ 3.38Å; M512-K545 VanDerWaalsContact SD-NZ 3.37Å; M512-E549 HydrophobicContact CE-CB 3.45Å; M512-E549 VanDerWaalsContact CE-CB 3.45Å; M512-E549 HydrophobicContact CE-CG 3.76Å; M512-E549 VanDerWaalsContact CE-O 3.25Å; M512-E549 WeakPolarHBondContact CE-O 3.39Å; M512-D552 HydrophobicContact CG-CB 4.03Å; M512-Y554 HydrophobicContact CG-CD2 4.39Å; M512-Y554 HydrophobicContact CG-CG 4.34Å
513	E	61.8	Low	65.2	Low	40 Å²	40	28.5 Å²	28.5	19%	0.187	18%	0.175	C	C	.	.	H	α-helix	trans	-61.4	-41.8	177	-39.2	-165.8	128.2	0	0	110.9	L479 S511 V517 Y554 K813	L479-E513 HydrophobicContact CD1-CB 4.18Å; S511-E513 PolarHBondContact O-N 2.99Å; E513-V517 VanDerWaalsContact O-CG2 3.3Å; E513-V517 WeakPolarHBondContact O-CG2 3.04Å; E513-V517 PolarHBondContact O-N 2.92Å; E513-Y554 HydrophobicContact CB-CD1 4.28Å; E513-Y554 HydrophobicContact CB-CE1 3.9Å; E513-Y554 HydrophobicContact CB-CE2 4.19Å; E513-Y554 VanDerWaalsContact CD-OH 3.24Å; E513-Y554 HydrophobicContact CG-CD2 4.06Å; E513-Y554 HydrophobicContact CG-CE1 4.12Å; E513-Y554 HydrophobicContact CG-CE2 3.5Å; E513-Y554 WeakPolarHBondContact OE1-CE2 3.5Å; E513-Y554 PolarHBondContact OE1-OH 2.97Å; E513-K813 IonicContact OE1-NZ 3.62Å; E513-K813 PolarHBondContact OE1-NZ 3.44Å; E513-K813 IonicContact OE2-NZ 3.66Å
514	V	69.5	Low	65	Low	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-70.7	-45.5	176	164.4	0	0	0	0	112	N475 R478 L479 I482 V504 S511 M512 G516 V517 T518	N475-V514 VanDerWaalsContact OD1-CG2 3.25Å; N475-V514 WeakPolarHBondContact OD1-CG2 3.37Å; R478-V514 HydrophobicContact CB-CG2 4.5Å; R478-V514 HydrophobicContact CG-CG1 3.95Å; R478-V514 HydrophobicContact CG-CG2 4.16Å; L479-V514 HydrophobicContact CB-CG2 4.09Å; I482-V514 HydrophobicContact CD1-CG1 4.07Å; V504-V514 HydrophobicContact CG1-CG1 4.36Å; S511-V514 PolarHBondContact O-N 3.08Å; S511-V514 PolarHBondContact OG-N 3.05Å; M512-V514 VanDerWaalsContact C-N 3.33Å; M512-V514 PolarHBondContact O-N 3.28Å; V514-G516 VanDerWaalsContact C-N 3.34Å; V514-G516 PolarHBondContact O-N 3.42Å; V514-V517 PolarHBondContact O-N 3.16Å; V514-T518 WeakPolarHBondContact O-CB 3.49Å; V514-T518 PolarHBondContact O-N 3.45Å; V514-T518 PolarHBondContact O-OG1 2.8Å
515	A	66.3	Low	65	Low	5 Å²	5	24.5 Å²	24.5	4%	0.041	15%	0.149	C	C	.	.	H	α-helix	trans	-60.7	-43.3	-179.4	0	0	0	0	0	111.7	M505 S511 M512 T518 A519	M505-A515 WeakPolarHBondContact CE-O 3.23Å; M505-A515 HydrophobicContact SD-CB 4.32Å; S511-A515 PolarHBondContact O-N 3.42Å; M512-A515 PolarHBondContact O-N 3.42Å; A515-T518 PolarHBondContact O-N 3.31Å; A515-A519 PolarHBondContact O-N 2.73Å; A515-A519 VanDerWaalsContact O-N 3.08Å
516	G	64	Low	64.9	Low	0 Å²	0	24 Å²	24	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-61.9	-44.6	175	0	0	0	0	0	113.1	M512 V514 T518 A519 L520 W557	M512-G516 PolarHBondContact O-N 3.42Å; V514-G516 VanDerWaalsContact C-N 3.34Å; V514-G516 PolarHBondContact O-N 3.42Å; G516-T518 VanDerWaalsContact C-N 3.33Å; G516-T518 PolarHBondContact O-N 3.26Å; G516-A519 PolarHBondContact O-N 3.03Å; G516-L520 PolarHBondContact O-N 2.92Å; G516-W557 WeakPolarHBondContact O-CB 3.49Å
517	V	68.3	Low	64.9	Low	8 Å²	8	22.3 Å²	22.3	5%	0.048	13%	0.126	C	C	.	.	H	α-helix	trans	-67.5	-32.5	176.8	171.9	0	0	0	0	112.1	L479 I482 F483 E513 V514 L520 A521 W557	L479-V517 HydrophobicContact CD1-CG2 4.23Å; L479-V517 HydrophobicContact CD2-CG1 4.47Å; L479-V517 HydrophobicContact CD2-CG2 4.3Å; L479-V517 HydrophobicContact CG-CB 4.35Å; L479-V517 HydrophobicContact CG-CG1 4.31Å; L479-V517 HydrophobicContact CG-CG2 4.05Å; I482-V517 HydrophobicContact CG2-CG1 4.43Å; F483-V517 HydrophobicContact CB-CG1 3.8Å; F483-V517 HydrophobicContact CD2-CG1 4.09Å; F483-V517 HydrophobicContact CG-CG1 4.25Å; E513-V517 VanDerWaalsContact O-CG2 3.3Å; E513-V517 WeakPolarHBondContact O-CG2 3.04Å; E513-V517 PolarHBondContact O-N 2.92Å; V514-V517 PolarHBondContact O-N 3.16Å; V517-L520 WeakPolarHBondContact O-CB 3.12Å; V517-L520 PolarHBondContact O-N 2.75Å; V517-A521 WeakPolarHBondContact O-CB 3.4Å; V517-A521 PolarHBondContact O-N 3.01Å; V517-W557 HydrophobicContact CG2-CE3 3.87Å; V517-W557 HydrophobicContact CG2-CH2 4.46Å; V517-W557 HydrophobicContact CG2-CZ3 3.49Å; V517-W557 VanDerWaalsContact CG2-CZ3 3.49Å
518	T	69.9	Low	64.4	Low	0 Å²	0	20 Å²	20	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-68.7	-40	177.3	-49.6	0	0	0	0	111.1	I482 M505 V514 A515 G516 L520 A521 C522	I482-T518 HydrophobicContact CG2-CG2 4.3Å; M505-T518 HydrophobicContact CB-CG2 4.36Å; M505-T518 HydrophobicContact CE-CG2 4.05Å; V514-T518 WeakPolarHBondContact O-CB 3.49Å; V514-T518 PolarHBondContact O-N 3.45Å; V514-T518 PolarHBondContact O-OG1 2.8Å; A515-T518 PolarHBondContact O-N 3.31Å; G516-T518 VanDerWaalsContact C-N 3.33Å; G516-T518 PolarHBondContact O-N 3.26Å; T518-L520 VanDerWaalsContact C-N 3.3Å; T518-L520 PolarHBondContact O-N 3.16Å; T518-A521 PolarHBondContact O-N 3.1Å; T518-C522 PolarHBondContact O-N 3.44Å; T518-C522 PolarHBondContact O-SG 3.49Å; T518-C522 VanDerWaalsContact O-SG 3.33Å
519	A	67.8	Low	64.6	Low	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-63.3	-41.2	175.6	0	0	0	0	0	111	M505 A515 G516 G523 I538 L558 G561	M505-A519 VanDerWaalsContact CE-CA 3.46Å; M505-A519 HydrophobicContact CE-CB 3.6Å; A515-A519 PolarHBondContact O-N 2.73Å; A515-A519 VanDerWaalsContact O-N 3.08Å; G516-A519 PolarHBondContact O-N 3.03Å; A519-G523 PolarHBondContact O-N 3.03Å; A519-I538 HydrophobicContact CB-CD1 4.35Å; A519-I538 HydrophobicContact CB-CG1 4.49Å; A519-L558 HydrophobicContact CB-CB 4.46Å; A519-L558 HydrophobicContact CB-CD2 3.83Å; A519-L558 HydrophobicContact CB-CG 4Å; A519-G561 WeakPolarHBondContact O-CA 3.43Å
520	L	68.8	Low	64.6	Low	1 Å²	1	10.2 Å²	10.2	1%	0.005	6%	0.064	C	C	.	.	H	α-helix	trans	-63.9	-46.6	176.7	-163.7	62.9	0	0	0	111.6	F483 G516 V517 T518 G523 M524 W557 L560 L564 T798	F483-L520 HydrophobicContact CE2-CD2 4.37Å; G516-L520 PolarHBondContact O-N 2.92Å; V517-L520 WeakPolarHBondContact O-CB 3.12Å; V517-L520 PolarHBondContact O-N 2.75Å; T518-L520 VanDerWaalsContact C-N 3.3Å; T518-L520 PolarHBondContact O-N 3.16Å; L520-G523 PolarHBondContact O-N 3.49Å; L520-M524 VanDerWaalsContact O-CG 3.3Å; L520-M524 WeakPolarHBondContact O-CG 3.48Å; L520-M524 PolarHBondContact O-N 3.3Å; L520-W557 HydrophobicContact CD2-CD2 4.43Å; L520-W557 HydrophobicContact CD2-CG 4.38Å; L520-L560 HydrophobicContact CD1-CB 4.48Å; L520-L560 HydrophobicContact CD1-CD2 3.6Å; L520-L560 HydrophobicContact CD1-CG 3.9Å; L520-L564 HydrophobicContact CD1-CD1 4.21Å; L520-T798 HydrophobicContact CD1-CG2 3.63Å; L520-T798 HydrophobicContact CD2-CG2 4.01Å; L520-T798 HydrophobicContact CG-CG2 3.87Å
521	A	70.1	Confident	64.7	Low	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-61.8	-48.4	177.3	0	0	0	0	0	112.3	I482 L501 V517 T518 G523 M524 I525	I482-A521 HydrophobicContact CG2-CB 3.81Å; L501-A521 HydrophobicContact CD1-CB 4.35Å; V517-A521 WeakPolarHBondContact O-CB 3.4Å; V517-A521 PolarHBondContact O-N 3.01Å; T518-A521 PolarHBondContact O-N 3.1Å; A521-G523 VanDerWaalsContact C-N 3.33Å; A521-G523 PolarHBondContact O-N 3.29Å; A521-M524 PolarHBondContact O-N 3.46Å; A521-I525 WeakPolarHBondContact O-CG1 3.23Å; A521-I525 PolarHBondContact O-N 3Å
522	C	69	Low	64.5	Low	3 Å²	3	11.2 Å²	11.2	2%	0.02	8%	0.076	C	C	.	.	H	α-helix	trans	-61.8	-40.5	175.9	-65.3	0	0	0	0	112.1	T518 M524 I525 A526 V534	T518-C522 PolarHBondContact O-N 3.44Å; T518-C522 PolarHBondContact O-SG 3.49Å; T518-C522 VanDerWaalsContact O-SG 3.33Å; C522-M524 VanDerWaalsContact C-N 3.31Å; C522-M524 PolarHBondContact O-N 2.92Å; C522-I525 PolarHBondContact O-N 3Å; C522-A526 PolarHBondContact O-N 3.43Å; C522-V534 HydrophobicContact CB-CG1 4.14Å
523	G	65.3	Low	64.6	Low	0 Å²	0	15 Å²	15	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-67.9	-24.8	176.1	0	0	0	0	0	114.3	A519 L520 A521 V527 L564	A519-G523 PolarHBondContact O-N 3.03Å; L520-G523 PolarHBondContact O-N 3.49Å; A521-G523 VanDerWaalsContact C-N 3.33Å; A521-G523 PolarHBondContact O-N 3.29Å; G523-V527 WeakPolarHBondContact O-CB 3.46Å; G523-L564 WeakPolarHBondContact O-CB 3.35Å
524	M	65.7	Low	64.7	Low	1 Å²	1	13.1 Å²	13.1	1%	0.005	9%	0.088	C	C	.	.	H	α-helix	trans	-79.7	-34.1	171.8	-71.4	179.4	73.4	0	0	112.6	L487 A490 G491 L520 A521 C522 L564 A794 T798 A823	L487-M524 HydrophobicContact CD2-CE 3.69Å; A490-M524 CarbonylContact C-O 3.56Å; A490-M524 VanDerWaalsContact CA-O 3.31Å; A490-M524 WeakPolarHBondContact CA-O 3.27Å; A490-M524 HydrophobicContact CB-CB 4.42Å; G491-M524 PolarHBondContact N-O 2.96Å; L520-M524 VanDerWaalsContact O-CG 3.3Å; L520-M524 WeakPolarHBondContact O-CG 3.48Å; L520-M524 PolarHBondContact O-N 3.3Å; A521-M524 PolarHBondContact O-N 3.46Å; C522-M524 VanDerWaalsContact C-N 3.31Å; C522-M524 PolarHBondContact O-N 2.92Å; M524-L564 HydrophobicContact CG-CD1 4.26Å; M524-A794 HydrophobicContact CG-CB 4.25Å; M524-T798 HydrophobicContact CE-CG2 4.4Å; M524-T798 HydrophobicContact CG-CG2 4.36Å; M524-T798 HydrophobicContact SD-CG2 3.6Å; M524-T798 VanDerWaalsContact SD-CG2 3.6Å; M524-A823 HydrophobicContact CE-CB 3.87Å
525	I	68.1	Low	64.5	Low	0 Å²	0	13.9 Å²	13.9	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-70.2	-48	176.7	-67	162.1	0	0	0	111.2	N493 V497 L498 L501 A521 C522 V527	N493-I525 PolarHBondContact N-O 3.13Å; V497-I525 HydrophobicContact CG1-CD1 3.94Å; L498-I525 HydrophobicContact CD1-CG2 4.27Å; L501-I525 HydrophobicContact CD1-CD1 3.62Å; A521-I525 WeakPolarHBondContact O-CG1 3.23Å; A521-I525 PolarHBondContact O-N 3Å; C522-I525 PolarHBondContact O-N 3Å; I525-V527 VanDerWaalsContact C-N 3.32Å; I525-V527 PolarHBondContact O-N 3.49Å
526	A	60.1	Low	64.5	Low	0 Å²	0	16.3 Å²	16.3	0%	0	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	32.7	-177.1	0	0	0	0	0	113.1	L498 C522 G528 S529 N531 V534 N565	L498-A526 HydrophobicContact CD1-CB 4.29Å; C522-A526 PolarHBondContact O-N 3.43Å; A526-G528 PolarHBondContact O-N 3.35Å; A526-G528 VanDerWaalsContact O-N 3.16Å; A526-S529 WeakPolarHBondContact CA-OG 3.5Å; A526-S529 PolarHBondContact O-N 2.88Å; A526-S529 PolarHBondContact O-OG 3.08Å; A526-S529 VanDerWaalsContact O-OG 3.09Å; A526-N531 HydrophobicContact CB-CB 4.22Å; A526-V534 HydrophobicContact CB-CG2 3.93Å; A526-N565 WeakPolarHBondContact O-CA 3.07Å; A526-N565 PolarHBondContact O-OD1 3.24Å
527	V	62.6	Low	64.7	Low	16 Å²	16	17.7 Å²	17.7	10%	0.097	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	112.5	-168.6	72.3	0	0	0	0	111.5	G523 I525 S529 L564 L567 Q790 V791 A794	G523-V527 WeakPolarHBondContact O-CB 3.46Å; I525-V527 VanDerWaalsContact C-N 3.32Å; I525-V527 PolarHBondContact O-N 3.49Å; V527-S529 VanDerWaalsContact C-N 3.33Å; V527-S529 PolarHBondContact O-N 3.31Å; V527-L564 WeakPolarHBondContact CA-O 3.27Å; V527-L564 HydrophobicContact CG2-CB 4.2Å; V527-L564 WeakPolarHBondContact CG2-O 3.47Å; V527-L567 HydrophobicContact CG2-CD2 4.05Å; V527-Q790 HydrophobicContact CB-CG 4.06Å; V527-Q790 HydrophobicContact CG1-CB 4.21Å; V527-Q790 HydrophobicContact CG1-CG 3.72Å; V527-Q790 HydrophobicContact CG2-CG 3.5Å; V527-Q790 VanDerWaalsContact CG2-CG 3.5Å; V527-V791 HydrophobicContact CG1-CG1 3.82Å; V527-A794 HydrophobicContact CG2-CB 4.09Å
528	G	57.1	Low	64.6	Low	1 Å²	1	17.4 Å²	17.4	1%	0.01	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.7	5.9	-177.7	0	0	0	0	0	116.7	N273 A526 L564 N565 K569	N273-G528 PolarHBondContact ND2-O 3.48Å; A526-G528 PolarHBondContact O-N 3.35Å; A526-G528 VanDerWaalsContact O-N 3.16Å; G528-L564 PolarHBondContact N-O 3.39Å; G528-N565 PolarHBondContact N-O 2.94Å; G528-K569 PolarHBondContact O-NZ 3.39Å
529	S	59.3	Low	64.4	Low	35 Å²	35	18.9 Å²	18.9	25%	0.245	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-13.2	173.9	54.9	0	0	0	0	113.4	N493 A526 V527 N531	N493-S529 VanDerWaalsContact OD1-CB 3.28Å; N493-S529 WeakPolarHBondContact OD1-CB 3.27Å; N493-S529 PolarHBondContact OD1-OG 2.81Å; A526-S529 WeakPolarHBondContact CA-OG 3.5Å; A526-S529 PolarHBondContact O-N 2.88Å; A526-S529 PolarHBondContact O-OG 3.08Å; A526-S529 VanDerWaalsContact O-OG 3.09Å; V527-S529 VanDerWaalsContact C-N 3.33Å; V527-S529 PolarHBondContact O-N 3.31Å; S529-N531 VanDerWaalsContact C-N 3.3Å; S529-N531 WeakPolarHBondContact CB-OD1 3.47Å; S529-N531 PolarHBondContact O-N 3.16Å; S529-N531 PolarHBondContact OG-OD1 3.3Å; S529-N531 VanDerWaalsContact OG-OD1 3.1Å
530	C	56	Low	64.4	Low	29 Å²	29	23.8 Å²	23.8	20%	0.196	15%	0.147	C	C	.	.			trans	59.3	32.8	-179.5	-65.4	0	0	0	0	114.3	G532 N565 H566	C530-G532 PolarHBondContact O-N 2.91Å; C530-N565 PolarHBondContact N-O 3.34Å; C530-N565 PolarHBondContact N-OD1 3.38Å; C530-H566 VanDerWaalsContact C-CE1 3.47Å; C530-H566 WeakPolarHBondContact CA-CE1 3.42Å; C530-H566 VanDerWaalsContact CB-CE1 3.46Å; C530-H566 WeakPolarHBondContact CB-CE1 3.35Å; C530-H566 PolarHBondContact O-CE1 3.39Å; C530-H566 VanDerWaalsContact O-CE1 3.24Å; C530-H566 PolarHBondContact SG-ND1 3.35Å
531	N	61.1	Low	64.3	Low	27 Å²	27	24.5 Å²	24.5	14%	0.144	15%	0.151	C	C	.	.			trans	-56.8	123	-176.6	-71.2	1.2	0	0	0	111.5	N493 A526 S529 D533 V534 T535 N565	N493-N531 PolarHBondContact OD1-ND2 3.31Å; N493-N531 PolarHBondContact OD1-OD1 3.29Å; A526-N531 HydrophobicContact CB-CB 4.22Å; S529-N531 VanDerWaalsContact C-N 3.3Å; S529-N531 WeakPolarHBondContact CB-OD1 3.47Å; S529-N531 PolarHBondContact O-N 3.16Å; S529-N531 PolarHBondContact OG-OD1 3.3Å; S529-N531 VanDerWaalsContact OG-OD1 3.1Å; N531-D533 VanDerWaalsContact C-N 3.34Å; N531-D533 PolarHBondContact O-N 3.05Å; N531-V534 HydrophobicContact CB-CB 4.43Å; N531-V534 HydrophobicContact CB-CG2 3.92Å; N531-V534 PolarHBondContact O-N 3.22Å; N531-T535 PolarHBondContact O-N 2.93Å; N531-T535 PolarHBondContact O-OG1 2.92Å; N531-N565 PolarHBondContact N-OD1 3.32Å; N531-N565 VanDerWaalsContact N-OD1 3.1Å; N531-N565 PolarHBondContact O-ND2 2.91Å
532	G	61.3	Low	64.1	Low	48 Å²	48	25.3 Å²	25.3	50%	0.495	16%	0.155	S	C	.	.	H	α-helix	trans	-63.3	-36.5	-176	0	0	0	0	0	113.4	C530 T535 S536	C530-G532 PolarHBondContact O-N 2.91Å; G532-T535 PolarHBondContact O-N 3.46Å; G532-S536 WeakPolarHBondContact O-CB 3.32Å; G532-S536 PolarHBondContact O-N 3.42Å; G532-S536 PolarHBondContact O-OG 2.98Å; G532-S536 VanDerWaalsContact O-OG 3.07Å
533	D	64.8	Low	63.8	Low	102 Å²	102	30 Å²	30	55%	0.545	18%	0.178	S	C	.	.	H	α-helix	trans	-71.6	-32.7	-178.5	-67.7	-14.5	0	0	0	112.9	L502 N531 S536 T537	L502-D533 HydrophobicContact CD1-CB 3.97Å; N531-D533 VanDerWaalsContact C-N 3.34Å; N531-D533 PolarHBondContact O-N 3.05Å; D533-S536 WeakPolarHBondContact CA-OG 3.29Å; D533-S536 PolarHBondContact O-OG 3.49Å; D533-T537 WeakPolarHBondContact O-CB 3.15Å; D533-T537 VanDerWaalsContact O-CG2 3.28Å; D533-T537 WeakPolarHBondContact O-CG2 3.34Å; D533-T537 PolarHBondContact O-N 3.32Å; D533-T537 VanDerWaalsContact O-N 3.12Å; D533-T537 PolarHBondContact O-OG1 2.96Å
534	V	64	Low	63.8	Low	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-67.1	-44	170.3	-176.9	0	0	0	0	110.4	L498 C522 A526 N531 T537 I538 N565	L498-V534 HydrophobicContact CD1-CG2 3.47Å; L498-V534 VanDerWaalsContact CD1-CG2 3.47Å; L498-V534 HydrophobicContact CD2-CG2 3.53Å; L498-V534 HydrophobicContact CG-CG2 3.93Å; C522-V534 HydrophobicContact CB-CG1 4.14Å; A526-V534 HydrophobicContact CB-CG2 3.93Å; N531-V534 HydrophobicContact CB-CB 4.43Å; N531-V534 HydrophobicContact CB-CG2 3.92Å; N531-V534 PolarHBondContact O-N 3.22Å; V534-T537 PolarHBondContact O-OG1 3.1Å; V534-I538 HydrophobicContact CG1-CD1 3.69Å; V534-I538 HydrophobicContact CG1-CG1 4.46Å; V534-I538 VanDerWaalsContact O-CG1 3.28Å; V534-I538 WeakPolarHBondContact O-CG1 3.14Å; V534-I538 PolarHBondContact O-N 2.91Å; V534-N565 HydrophobicContact CG1-CB 4.45Å
535	T	64.4	Low	63.5	Low	15 Å²	15	38.2 Å²	38.2	9%	0.092	22%	0.216	C	C	.	.	H	α-helix	trans	-64.8	-47.7	-178.5	-50.9	0	0	0	0	111.2	N531 G532 L539 L562 N565 H566 I576	N531-T535 PolarHBondContact O-N 2.93Å; N531-T535 PolarHBondContact O-OG1 2.92Å; G532-T535 PolarHBondContact O-N 3.46Å; T535-L539 WeakPolarHBondContact O-CB 3.48Å; T535-L539 PolarHBondContact O-N 3.21Å; T535-L562 HydrophobicContact CG2-CD2 4.01Å; T535-N565 PolarHBondContact OG1-ND2 3.28Å; T535-H566 WeakPolarHBondContact CB-NE2 3.32Å; T535-H566 WeakPolarHBondContact CG2-NE2 3.48Å; T535-H566 PolarHBondContact OG1-CE1 3.47Å; T535-H566 PolarHBondContact OG1-NE2 2.96Å; T535-I576 HydrophobicContact CG2-CD1 3.99Å; T535-I576 HydrophobicContact CG2-CG1 4.24Å
536	S	67.6	Low	62.5	Low	56 Å²	56	40.2 Å²	40.2	39%	0.392	23%	0.23	S	C	.	.	H	α-helix	trans	-67.6	-41.7	-178.3	63	0	0	0	0	112.3	G532 D533 L539 Q540	G532-S536 WeakPolarHBondContact O-CB 3.32Å; G532-S536 PolarHBondContact O-N 3.42Å; G532-S536 PolarHBondContact O-OG 2.98Å; G532-S536 VanDerWaalsContact O-OG 3.07Å; D533-S536 WeakPolarHBondContact CA-OG 3.29Å; D533-S536 PolarHBondContact O-OG 3.49Å; S536-L539 PolarHBondContact O-N 3.23Å; S536-Q540 VanDerWaalsContact O-CB 3.29Å; S536-Q540 WeakPolarHBondContact O-CB 3.5Å; S536-Q540 PolarHBondContact O-N 2.99Å
537	T	66.8	Low	62	Low	29 Å²	29	46.6 Å²	46.6	18%	0.178	26%	0.26	C	S	.	.	H	α-helix	trans	-69.5	-39.7	177.9	52.6	0	0	0	0	113.3	L502 D533 V534 T541	L502-T537 HydrophobicContact CB-CG2 4.46Å; L502-T537 HydrophobicContact CD1-CG2 4.14Å; L502-T537 HydrophobicContact CD2-CG2 4.36Å; L502-T537 WeakPolarHBondContact CD2-OG1 3.42Å; D533-T537 WeakPolarHBondContact O-CB 3.15Å; D533-T537 VanDerWaalsContact O-CG2 3.28Å; D533-T537 WeakPolarHBondContact O-CG2 3.34Å; D533-T537 PolarHBondContact O-N 3.32Å; D533-T537 VanDerWaalsContact O-N 3.12Å; D533-T537 PolarHBondContact O-OG1 2.96Å; V534-T537 PolarHBondContact O-OG1 3.1Å; T537-T541 WeakPolarHBondContact O-CB 3.14Å; T537-T541 PolarHBondContact O-N 3.47Å; T537-T541 PolarHBondContact O-OG1 3.09Å
538	I	67.1	Low	61.3	Low	2 Å²	2	51 Å²	51	1%	0.01	29%	0.287	C	S	.	.	H	α-helix	trans	-68.6	-40.6	174.3	-59.6	168.9	0	0	0	110.4	A519 V534 T541 I542 L558 L562	A519-I538 HydrophobicContact CB-CD1 4.35Å; A519-I538 HydrophobicContact CB-CG1 4.49Å; V534-I538 HydrophobicContact CG1-CD1 3.69Å; V534-I538 HydrophobicContact CG1-CG1 4.46Å; V534-I538 VanDerWaalsContact O-CG1 3.28Å; V534-I538 WeakPolarHBondContact O-CG1 3.14Å; V534-I538 PolarHBondContact O-N 2.91Å; I538-T541 WeakPolarHBondContact O-CB 3.29Å; I538-T541 PolarHBondContact O-N 3.19Å; I538-I542 HydrophobicContact CG2-CD1 4Å; I538-I542 HydrophobicContact CG2-CG1 4.49Å; I538-I542 WeakPolarHBondContact O-CG1 3.46Å; I538-I542 PolarHBondContact O-N 3.27Å; I538-L558 HydrophobicContact CG2-CD2 4.09Å; I538-L562 HydrophobicContact CB-CD2 4.03Å; I538-L562 HydrophobicContact CB-CG 4.02Å; I538-L562 HydrophobicContact CD1-CD2 4.45Å; I538-L562 HydrophobicContact CD1-CG 4.4Å; I538-L562 HydrophobicContact CG2-CD1 3.91Å; I538-L562 HydrophobicContact CG2-CD2 4.22Å; I538-L562 HydrophobicContact CG2-CG 3.65Å
539	L	65.9	Low	61	Low	31 Å²	31	54.8 Å²	54.8	16%	0.162	30%	0.304	C	S	.	.	H	α-helix	trans	-61.5	-45.4	175.7	-175.4	66.8	0	0	0	111.9	T535 S536 T541 I542 M543 A579 L580	T535-L539 WeakPolarHBondContact O-CB 3.48Å; T535-L539 PolarHBondContact O-N 3.21Å; S536-L539 PolarHBondContact O-N 3.23Å; L539-T541 VanDerWaalsContact C-N 3.32Å; L539-T541 PolarHBondContact O-N 3.01Å; L539-I542 PolarHBondContact O-N 3.42Å; L539-I542 VanDerWaalsContact O-N 3.15Å; L539-M543 HydrophobicContact CD1-CE 3.91Å; L539-M543 HydrophobicContact CD2-CE 4.1Å; L539-M543 HydrophobicContact CG-CE 3.88Å; L539-M543 HydrophobicContact CG-SD 4.36Å; L539-M543 WeakPolarHBondContact O-CG 3.36Å; L539-M543 PolarHBondContact O-N 3.25Å; L539-A579 HydrophobicContact CD1-CB 4.34Å; L539-A579 HydrophobicContact CD2-CB 3.84Å; L539-L580 HydrophobicContact CD1-CD2 4.06Å
540	Q	68.6	Low	60.6	Low	103 Å²	103	54 Å²	54	48%	0.481	30%	0.297	S	S	.	.	H	α-helix	trans	-58	-44.9	173.1	-179.1	178.2	-6.8	0	0	111.1	S536 I542 M543 E544	S536-Q540 VanDerWaalsContact O-CB 3.29Å; S536-Q540 WeakPolarHBondContact O-CB 3.5Å; S536-Q540 PolarHBondContact O-N 2.99Å; Q540-I542 VanDerWaalsContact C-N 3.25Å; Q540-I542 PolarHBondContact O-N 3.2Å; Q540-M543 PolarHBondContact O-N 3.28Å; Q540-M543 VanDerWaalsContact O-N 3.11Å; Q540-E544 HydrophobicContact CG-CG 4.28Å; Q540-E544 WeakPolarHBondContact CG-OE1 3.41Å; Q540-E544 PolarHBondContact NE2-OE1 3.34Å; Q540-E544 WeakPolarHBondContact O-CB 3.5Å; Q540-E544 WeakPolarHBondContact O-CG 3.5Å; Q540-E544 PolarHBondContact O-N 3.18Å
541	T	65.1	Low	60.2	Low	17 Å²	17	58.1 Å²	58.1	10%	0.104	31%	0.312	C	S	.	.	H	α-helix	trans	-62.5	-31.1	177.6	-55	0	0	0	0	112.8	M505 T537 I538 L539 L558	M505-T541 HydrophobicContact CG-CG2 4.17Å; M505-T541 WeakPolarHBondContact CG-OG1 3.49Å; M505-T541 HydrophobicContact SD-CG2 3.75Å; T537-T541 WeakPolarHBondContact O-CB 3.14Å; T537-T541 PolarHBondContact O-N 3.47Å; T537-T541 PolarHBondContact O-OG1 3.09Å; I538-T541 WeakPolarHBondContact O-CB 3.29Å; I538-T541 PolarHBondContact O-N 3.19Å; L539-T541 VanDerWaalsContact C-N 3.32Å; L539-T541 PolarHBondContact O-N 3.01Å; T541-L558 HydrophobicContact CG2-CD2 3.85Å
542	I	65.9	Low	59.9	Low	16 Å²	16	60.7 Å²	60.7	8%	0.082	33%	0.326	C	S	.	.	H	α-helix	trans	-74.9	-40.8	173.8	-68.4	166.4	0	0	0	110.6	I538 L539 Q540 K545 L562 L580 V583	I538-I542 HydrophobicContact CG2-CD1 4Å; I538-I542 HydrophobicContact CG2-CG1 4.49Å; I538-I542 WeakPolarHBondContact O-CG1 3.46Å; I538-I542 PolarHBondContact O-N 3.27Å; L539-I542 PolarHBondContact O-N 3.42Å; L539-I542 VanDerWaalsContact O-N 3.15Å; Q540-I542 VanDerWaalsContact C-N 3.25Å; Q540-I542 PolarHBondContact O-N 3.2Å; I542-K545 PolarHBondContact O-N 2.97Å; I542-L562 HydrophobicContact CD1-CD1 3.69Å; I542-L580 HydrophobicContact CD1-CD2 4.43Å; I542-V583 HydrophobicContact CG2-CG1 3.99Å; I542-V583 HydrophobicContact CG2-CG2 3.63Å
543	M	63.1	Low	59.5	Low	101 Å²	101	59.8 Å²	59.8	50%	0.498	31%	0.31	S	S	.	.	H	α-helix	trans	-70.3	-29.1	178.9	-71	-178.1	176	0	0	113.9	L539 Q540 V582	L539-M543 HydrophobicContact CD1-CE 3.91Å; L539-M543 HydrophobicContact CD2-CE 4.1Å; L539-M543 HydrophobicContact CG-CE 3.88Å; L539-M543 HydrophobicContact CG-SD 4.36Å; L539-M543 WeakPolarHBondContact O-CG 3.36Å; L539-M543 PolarHBondContact O-N 3.25Å; Q540-M543 PolarHBondContact O-N 3.28Å; Q540-M543 VanDerWaalsContact O-N 3.11Å; M543-V582 HydrophobicContact CE-CB 4.32Å
544	E	64.8	Low	58.9	Low	131 Å²	131	56.4 Å²	56.4	61%	0.612	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-9.1	178.5	-71.8	-179	-175	0	0	113.9	Q540	Q540-E544 HydrophobicContact CG-CG 4.28Å; Q540-E544 WeakPolarHBondContact CG-OE1 3.41Å; Q540-E544 PolarHBondContact NE2-OE1 3.34Å; Q540-E544 WeakPolarHBondContact O-CB 3.5Å; Q540-E544 WeakPolarHBondContact O-CG 3.5Å; Q540-E544 PolarHBondContact O-N 3.18Å
545	K	61	Low	58.7	Low	44 Å²	44	56.7 Å²	56.7	19%	0.191	29%	0.293	C	S	.	.			trans	-92.8	148.9	-169.3	-111.3	170.6	-176.1	170.1	0	115.9	M512 I542 E549	M512-K545 HydrophobicContact CE-CD 3.94Å; M512-K545 VanDerWaalsContact CE-CE 3.5Å; M512-K545 PolarHBondContact SD-NZ 3.38Å; M512-K545 VanDerWaalsContact SD-NZ 3.37Å; I542-K545 PolarHBondContact O-N 2.97Å; K545-E549 VanDerWaalsContact CE-OE2 3.25Å; K545-E549 WeakPolarHBondContact CE-OE2 3.35Å; K545-E549 HydrophobicContact CG-CB 4.34Å
546	S	46.7	Very low	58.6	Low	42 Å²	42	57.7 Å²	57.7	29%	0.294	30%	0.295	S	S	.	.			trans	-83.4	150.2	-175.1	73	0	0	0	0	113.7	T548 E549 L550	S546-T548 PolarHBondContact O-N 3.41Å; S546-T548 PolarHBondContact OG-OG1 3.13Å; S546-T548 VanDerWaalsContact OG-OG1 3.07Å; S546-E549 PolarHBondContact O-N 3.02Å; S546-E549 WeakPolarHBondContact OG-CB 3.34Å; S546-E549 PolarHBondContact OG-N 3.1Å; S546-E549 PolarHBondContact OG-OE1 2.84Å; S546-L550 PolarHBondContact O-N 2.92Å
547	E	48	Very low	58.5	Low	133 Å²	133	55.3 Å²	55.3	62%	0.621	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-18	175.4	-63.5	-177.3	-177.6	0	0	114.4	K551	E547-K551 WeakPolarHBondContact O-CD 3.33Å; E547-K551 WeakPolarHBondContact O-CE 3.39Å; E547-K551 WeakPolarHBondContact O-CG 3.27Å; E547-K551 PolarHBondContact O-NZ 3.47Å
548	T	48.8	Very low	58.4	Low	109 Å²	109	54.2 Å²	54.2	67%	0.669	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-33.6	173.6	29.8	0	0	0	0	112.8	S546	S546-T548 PolarHBondContact O-N 3.41Å; S546-T548 PolarHBondContact OG-OG1 3.13Å; S546-T548 VanDerWaalsContact OG-OG1 3.07Å
549	E	50	Low	58.4	Low	80 Å²	80	54.7 Å²	54.7	37%	0.374	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-33.1	179.1	-90.1	171.8	-102	0	0	112.8	M512 K545 S546 K551 D552	M512-E549 HydrophobicContact CE-CB 3.45Å; M512-E549 VanDerWaalsContact CE-CB 3.45Å; M512-E549 HydrophobicContact CE-CG 3.76Å; M512-E549 VanDerWaalsContact CE-O 3.25Å; M512-E549 WeakPolarHBondContact CE-O 3.39Å; K545-E549 VanDerWaalsContact CE-OE2 3.25Å; K545-E549 WeakPolarHBondContact CE-OE2 3.35Å; K545-E549 HydrophobicContact CG-CB 4.34Å; S546-E549 PolarHBondContact O-N 3.02Å; S546-E549 WeakPolarHBondContact OG-CB 3.34Å; S546-E549 PolarHBondContact OG-N 3.1Å; S546-E549 PolarHBondContact OG-OE1 2.84Å; E549-K551 PolarHBondContact O-N 3.33Å; E549-K551 VanDerWaalsContact O-N 3.11Å; E549-D552 PolarHBondContact O-N 2.9Å
550	L	52.1	Low	58.3	Low	18 Å²	18	53.2 Å²	53.2	9%	0.094	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-25.4	171.1	-69.6	171.3	0	0	0	112.2	S546 A555 F587	S546-L550 PolarHBondContact O-N 2.92Å; L550-A555 WeakPolarHBondContact O-CB 3.47Å; L550-F587 HydrophobicContact CB-CD2 3.84Å; L550-F587 HydrophobicContact CB-CE2 4.09Å; L550-F587 HydrophobicContact CB-CG 4.1Å; L550-F587 WeakPolarHBondContact O-CE1 3.36Å; L550-F587 WeakPolarHBondContact O-CZ 3.45Å
551	K	46.7	Very low	58.1	Low	117 Å²	117	48.3 Å²	48.3	51%	0.509	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-7.4	-177.8	-66.7	176.4	177.3	101.7	0	114.8	E547 E549 F587	E547-K551 WeakPolarHBondContact O-CD 3.33Å; E547-K551 WeakPolarHBondContact O-CE 3.39Å; E547-K551 WeakPolarHBondContact O-CG 3.27Å; E547-K551 PolarHBondContact O-NZ 3.47Å; E549-K551 PolarHBondContact O-N 3.33Å; E549-K551 VanDerWaalsContact O-N 3.11Å; K551-F587 HydrophobicContact CG-CE2 4.1Å; K551-F587 HydrophobicContact CG-CZ 4.45Å
552	D	54.9	Low	58.3	Low	81 Å²	81	47.6 Å²	47.6	43%	0.433	24%	0.238	S	C	.	.	S	Bend	trans	-75.4	142.6	172.9	-85.5	-32.1	0	0	0	111	M512 E549 Y554 A555	M512-D552 HydrophobicContact CG-CB 4.03Å; E549-D552 PolarHBondContact O-N 2.9Å; D552-Y554 PolarHBondContact O-N 2.91Å; D552-A555 VanDerWaalsContact O-CB 3.25Å; D552-A555 WeakPolarHBondContact O-CB 3.39Å; D552-A555 PolarHBondContact O-N 3.42Å
553	T	52.9	Low	58.2	Low	29 Å²	29	46.8 Å²	46.8	18%	0.178	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-56.5	-27.5	-177.1	-36	0	0	0	0	113.2	A555 R556 D805 I809	T553-A555 VanDerWaalsContact C-N 3.28Å; T553-A555 PolarHBondContact O-N 3.21Å; T553-R556 WeakPolarHBondContact O-CB 3.19Å; T553-R556 WeakPolarHBondContact O-CG 3.49Å; T553-R556 PolarHBondContact O-N 3.46Å; T553-D805 HydrophobicContact CG2-CB 3.64Å; T553-D805 VanDerWaalsContact CG2-OD2 3.28Å; T553-D805 WeakPolarHBondContact CG2-OD2 3.36Å; T553-D805 PolarHBondContact OG1-OD2 2.84Å; T553-I809 HydrophobicContact CG2-CD1 3.73Å; T553-I809 HydrophobicContact CG2-CG1 3.91Å
554	Y	53.6	Low	58.3	Low	30 Å²	30	42 Å²	42	12%	0.118	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-64.2	-23.7	175.1	-67.6	-70.2	0	0	0	114.7	M512 E513 D552 R556 W557 S814	M512-Y554 HydrophobicContact CG-CD2 4.39Å; M512-Y554 HydrophobicContact CG-CG 4.34Å; E513-Y554 HydrophobicContact CB-CD1 4.28Å; E513-Y554 HydrophobicContact CB-CE1 3.9Å; E513-Y554 HydrophobicContact CB-CE2 4.19Å; E513-Y554 VanDerWaalsContact CD-OH 3.24Å; E513-Y554 HydrophobicContact CG-CD2 4.06Å; E513-Y554 HydrophobicContact CG-CE1 4.12Å; E513-Y554 HydrophobicContact CG-CE2 3.5Å; E513-Y554 WeakPolarHBondContact OE1-CE2 3.5Å; E513-Y554 PolarHBondContact OE1-OH 2.97Å; D552-Y554 PolarHBondContact O-N 2.91Å; Y554-R556 PolarHBondContact O-N 3.2Å; Y554-R556 VanDerWaalsContact O-N 3.13Å; Y554-W557 AromaticContact CD1-CE3 3.71Å; Y554-W557 HydrophobicContact CD1-CE3 3.71Å; Y554-W557 AromaticContact CD1-CH2 3.91Å; Y554-W557 HydrophobicContact CD1-CH2 3.91Å; Y554-W557 AromaticContact CD1-CZ3 3.33Å; Y554-W557 HydrophobicContact CD1-CZ3 3.33Å; Y554-W557 HydrophobicContact CE1-CE3 4.31Å; Y554-W557 AromaticContact CE1-CH2 3.73Å; Y554-W557 HydrophobicContact CE1-CH2 3.73Å; Y554-W557 AromaticContact CE1-CZ3 3.47Å; Y554-W557 HydrophobicContact CE1-CZ3 3.47Å; Y554-W557 VanDerWaalsContact CE1-CZ3 3.47Å; Y554-W557 PolarHBondContact O-N 3.14Å; Y554-W557 VanDerWaalsContact O-N 3.1Å; Y554-S814 PolarHBondContact OH-OG 3.28Å; Y554-S814 VanDerWaalsContact OH-OG 3.06Å
555	A	58.5	Low	58.4	Low	7 Å²	7	35.8 Å²	35.8	6%	0.058	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-60.2	-22.2	174.9	0	0	0	0	0	112.3	L550 D552 T553 W557 L558 P559	L550-A555 WeakPolarHBondContact O-CB 3.47Å; D552-A555 VanDerWaalsContact O-CB 3.25Å; D552-A555 WeakPolarHBondContact O-CB 3.39Å; D552-A555 PolarHBondContact O-N 3.42Å; T553-A555 VanDerWaalsContact C-N 3.28Å; T553-A555 PolarHBondContact O-N 3.21Å; A555-W557 VanDerWaalsContact C-N 3.27Å; A555-W557 PolarHBondContact O-N 2.96Å; A555-L558 PolarHBondContact O-N 3.35Å; A555-P559 WeakPolarHBondContact O-CD 3.43Å
556	R	62.9	Low	58.5	Low	35 Å²	35	34.2 Å²	34.2	13%	0.132	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-66.8	-23.7	176.4	-59.8	177.7	-175.3	-177.9	1.6	113.7	T553 Y554 F590 V801 L804	T553-R556 WeakPolarHBondContact O-CB 3.19Å; T553-R556 WeakPolarHBondContact O-CG 3.49Å; T553-R556 PolarHBondContact O-N 3.46Å; Y554-R556 PolarHBondContact O-N 3.2Å; Y554-R556 VanDerWaalsContact O-N 3.13Å; R556-F590 HydrophobicContact CB-CE1 4.07Å; R556-F590 HydrophobicContact CB-CZ 4.03Å; R556-F590 HydrophobicContact CG-CE1 4.06Å; R556-F590 HydrophobicContact CG-CZ 3.84Å; R556-V801 HydrophobicContact CB-CG1 4.43Å; R556-L804 PolarHBondContact NH1-O 3.21Å; R556-L804 VanDerWaalsContact NH1-O 3.11Å
557	W	65	Low	59.4	Low	6 Å²	6	32.2 Å²	32.2	2%	0.023	16%	0.161	C	C	.	.	H	α-helix	trans	-80.9	-18	179.1	-64	-25.1	0	0	0	113.3	G516 V517 L520 Y554 A555 G561 S802 I809 V817	G516-W557 WeakPolarHBondContact O-CB 3.49Å; V517-W557 HydrophobicContact CG2-CE3 3.87Å; V517-W557 HydrophobicContact CG2-CH2 4.46Å; V517-W557 HydrophobicContact CG2-CZ3 3.49Å; V517-W557 VanDerWaalsContact CG2-CZ3 3.49Å; L520-W557 HydrophobicContact CD2-CD2 4.43Å; L520-W557 HydrophobicContact CD2-CG 4.38Å; Y554-W557 AromaticContact CD1-CE3 3.71Å; Y554-W557 HydrophobicContact CD1-CE3 3.71Å; Y554-W557 AromaticContact CD1-CH2 3.91Å; Y554-W557 HydrophobicContact CD1-CH2 3.91Å; Y554-W557 AromaticContact CD1-CZ3 3.33Å; Y554-W557 HydrophobicContact CD1-CZ3 3.33Å; Y554-W557 HydrophobicContact CE1-CE3 4.31Å; Y554-W557 AromaticContact CE1-CH2 3.73Å; Y554-W557 HydrophobicContact CE1-CH2 3.73Å; Y554-W557 AromaticContact CE1-CZ3 3.47Å; Y554-W557 HydrophobicContact CE1-CZ3 3.47Å; Y554-W557 VanDerWaalsContact CE1-CZ3 3.47Å; Y554-W557 PolarHBondContact O-N 3.14Å; Y554-W557 VanDerWaalsContact O-N 3.1Å; A555-W557 VanDerWaalsContact C-N 3.27Å; A555-W557 PolarHBondContact O-N 2.96Å; W557-G561 PolarHBondContact O-N 2.93Å; W557-S802 PolarHBondContact NE1-OG 3.14Å; W557-S802 VanDerWaalsContact NE1-OG 3.13Å; W557-I809 HydrophobicContact CH2-CG2 4.44Å; W557-I809 HydrophobicContact CZ2-CG2 3.99Å; W557-V817 HydrophobicContact CZ2-CG2 4.28Å
558	L	66.1	Low	59.8	Low	6 Å²	6	27.7 Å²	27.7	3%	0.031	15%	0.151	C	C	.	.	H	α-helix	trans	-71.1	-52.6	176.9	-79.6	139.3	0	0	0	112.3	M505 A519 I538 T541 A555 L560 G561 L562	M505-L558 HydrophobicContact CE-CD2 4.32Å; M505-L558 HydrophobicContact SD-CD2 4.17Å; A519-L558 HydrophobicContact CB-CB 4.46Å; A519-L558 HydrophobicContact CB-CD2 3.83Å; A519-L558 HydrophobicContact CB-CG 4Å; I538-L558 HydrophobicContact CG2-CD2 4.09Å; T541-L558 HydrophobicContact CG2-CD2 3.85Å; A555-L558 PolarHBondContact O-N 3.35Å; L558-L560 PolarHBondContact O-N 2.9Å; L558-G561 PolarHBondContact O-N 3.09Å; L558-L562 PolarHBondContact O-N 3.22Å
559	P	65.7	Low	60.5	Low	13 Å²	13	25.3 Å²	25.3	8%	0.084	13%	0.131	C	C	.	.	H	α-helix	trans	-64.9	-25.1	170.7	-23	34.8	0	0	0	113.8	A555 L562 G563 A591 L594	A555-P559 WeakPolarHBondContact O-CD 3.43Å; P559-L562 PolarHBondContact O-N 3.13Å; P559-G563 PolarHBondContact O-N 2.72Å; P559-A591 HydrophobicContact CB-CB 3.84Å; P559-A591 HydrophobicContact CG-CB 3.82Å; P559-L594 HydrophobicContact CB-CD2 4.23Å
560	L	65	Low	60.8	Low	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-68.2	-43	172.7	-176.4	56.5	0	0	0	111.3	L520 L558 L562 G563 L564 L594 L797 V801	L520-L560 HydrophobicContact CD1-CB 4.48Å; L520-L560 HydrophobicContact CD1-CD2 3.6Å; L520-L560 HydrophobicContact CD1-CG 3.9Å; L558-L560 PolarHBondContact O-N 2.9Å; L560-L562 VanDerWaalsContact C-N 3.28Å; L560-L562 PolarHBondContact O-N 2.79Å; L560-G563 PolarHBondContact O-N 3.32Å; L560-L564 HydrophobicContact CD1-CD1 4.27Å; L560-L564 HydrophobicContact CD1-CD2 4.34Å; L560-L564 HydrophobicContact CD1-CG 4.01Å; L560-L564 HydrophobicContact CG-CD1 4.1Å; L560-L564 HydrophobicContact CG-CG 4.29Å; L560-L564 WeakPolarHBondContact O-CB 3.42Å; L560-L564 VanDerWaalsContact O-CG 3.26Å; L560-L564 WeakPolarHBondContact O-CG 3.46Å; L560-L564 PolarHBondContact O-N 3.29Å; L560-L594 HydrophobicContact CB-CD2 3.98Å; L560-L594 HydrophobicContact CD1-CD2 4.28Å; L560-L797 HydrophobicContact CD1-CB 4.24Å; L560-V801 HydrophobicContact CD1-CG2 4.3Å; L560-V801 HydrophobicContact CD2-CB 3.96Å; L560-V801 HydrophobicContact CD2-CG1 4.23Å; L560-V801 HydrophobicContact CD2-CG2 4.02Å
561	G	63.8	Low	61.1	Low	0 Å²	0	29 Å²	29	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-56.9	-40.4	173.3	0	0	0	0	0	113	A519 W557 L558 N565	A519-G561 WeakPolarHBondContact O-CA 3.43Å; W557-G561 PolarHBondContact O-N 2.93Å; L558-G561 PolarHBondContact O-N 3.09Å; G561-N565 PolarHBondContact O-N 3.36Å
562	L	68	Low	61.7	Low	1 Å²	1	25.6 Å²	25.6	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-63.7	-51	170.9	-79	171.7	0	0	0	112.4	T535 I538 I542 L558 P559 L560 L564 N565 H566 L580 V595	T535-L562 HydrophobicContact CG2-CD2 4.01Å; I538-L562 HydrophobicContact CB-CD2 4.03Å; I538-L562 HydrophobicContact CB-CG 4.02Å; I538-L562 HydrophobicContact CD1-CD2 4.45Å; I538-L562 HydrophobicContact CD1-CG 4.4Å; I538-L562 HydrophobicContact CG2-CD1 3.91Å; I538-L562 HydrophobicContact CG2-CD2 4.22Å; I538-L562 HydrophobicContact CG2-CG 3.65Å; I542-L562 HydrophobicContact CD1-CD1 3.69Å; L558-L562 PolarHBondContact O-N 3.22Å; P559-L562 PolarHBondContact O-N 3.13Å; L560-L562 VanDerWaalsContact C-N 3.28Å; L560-L562 PolarHBondContact O-N 2.79Å; L562-L564 PolarHBondContact O-N 3.15Å; L562-N565 PolarHBondContact O-N 2.96Å; L562-H566 PolarHBondContact O-CD2 3.11Å; L562-H566 VanDerWaalsContact O-CD2 3.27Å; L562-H566 PolarHBondContact O-N 3.14Å; L562-L580 HydrophobicContact CD1-CD2 4.27Å; L562-V595 HydrophobicContact CB-CG2 4.08Å
563	G	64.1	Low	62.1	Low	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-59.8	-33.2	-179.7	0	0	0	0	0	113	P559 L560 H566 L567 C598	P559-G563 PolarHBondContact O-N 2.72Å; L560-G563 PolarHBondContact O-N 3.32Å; G563-H566 CarbonylContact O-C 3.55Å; G563-L567 WeakPolarHBondContact O-CA 3.16Å; G563-L567 PolarHBondContact O-N 3.21Å; G563-C598 WeakPolarHBondContact O-CB 3.48Å
564	L	65.2	Low	62.7	Low	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-73.4	-38.4	176.4	-67.9	178.9	0	0	0	113	L520 G523 M524 V527 G528 L560 L562 H566 L567 A794 L797	L520-L564 HydrophobicContact CD1-CD1 4.21Å; G523-L564 WeakPolarHBondContact O-CB 3.35Å; M524-L564 HydrophobicContact CG-CD1 4.26Å; V527-L564 WeakPolarHBondContact CA-O 3.27Å; V527-L564 HydrophobicContact CG2-CB 4.2Å; V527-L564 WeakPolarHBondContact CG2-O 3.47Å; G528-L564 PolarHBondContact N-O 3.39Å; L560-L564 HydrophobicContact CD1-CD1 4.27Å; L560-L564 HydrophobicContact CD1-CD2 4.34Å; L560-L564 HydrophobicContact CD1-CG 4.01Å; L560-L564 HydrophobicContact CG-CD1 4.1Å; L560-L564 HydrophobicContact CG-CG 4.29Å; L560-L564 WeakPolarHBondContact O-CB 3.42Å; L560-L564 VanDerWaalsContact O-CG 3.26Å; L560-L564 WeakPolarHBondContact O-CG 3.46Å; L560-L564 PolarHBondContact O-N 3.29Å; L562-L564 PolarHBondContact O-N 3.15Å; L564-H566 PolarHBondContact O-N 2.89Å; L564-L567 HydrophobicContact CD2-CD2 4.15Å; L564-L567 WeakPolarHBondContact O-CB 3.3Å; L564-L567 PolarHBondContact O-N 3.03Å; L564-A794 HydrophobicContact CD1-CB 4.05Å; L564-A794 HydrophobicContact CD2-CB 3.76Å; L564-A794 HydrophobicContact CG-CB 4.45Å; L564-L797 HydrophobicContact CD2-CD1 4.12Å
565	N	68.3	Low	63.3	Low	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-60.8	-33.5	174.3	-170.1	24.3	0	0	0	112.2	A526 G528 C530 N531 V534 T535 G561 L562	A526-N565 WeakPolarHBondContact O-CA 3.07Å; A526-N565 PolarHBondContact O-OD1 3.24Å; G528-N565 PolarHBondContact N-O 2.94Å; C530-N565 PolarHBondContact N-O 3.34Å; C530-N565 PolarHBondContact N-OD1 3.38Å; N531-N565 PolarHBondContact N-OD1 3.32Å; N531-N565 VanDerWaalsContact N-OD1 3.1Å; N531-N565 PolarHBondContact O-ND2 2.91Å; V534-N565 HydrophobicContact CG1-CB 4.45Å; T535-N565 PolarHBondContact OG1-ND2 3.28Å; G561-N565 PolarHBondContact O-N 3.36Å; L562-N565 PolarHBondContact O-N 2.96Å
566	H	63.1	Low	63.7	Low	11 Å²	11	30.2 Å²	30.2	5%	0.051	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.9	14.8	-176.2	-60.9	-64.3	0	0	0	114.4	C530 T535 L562 G563 L564 G568 I573	C530-H566 VanDerWaalsContact C-CE1 3.47Å; C530-H566 WeakPolarHBondContact CA-CE1 3.42Å; C530-H566 VanDerWaalsContact CB-CE1 3.46Å; C530-H566 WeakPolarHBondContact CB-CE1 3.35Å; C530-H566 PolarHBondContact O-CE1 3.39Å; C530-H566 VanDerWaalsContact O-CE1 3.24Å; C530-H566 PolarHBondContact SG-ND1 3.35Å; T535-H566 WeakPolarHBondContact CB-NE2 3.32Å; T535-H566 WeakPolarHBondContact CG2-NE2 3.48Å; T535-H566 PolarHBondContact OG1-CE1 3.47Å; T535-H566 PolarHBondContact OG1-NE2 2.96Å; L562-H566 PolarHBondContact O-CD2 3.11Å; L562-H566 VanDerWaalsContact O-CD2 3.27Å; L562-H566 PolarHBondContact O-N 3.14Å; G563-H566 CarbonylContact O-C 3.55Å; L564-H566 PolarHBondContact O-N 2.89Å; H566-G568 PolarHBondContact O-N 3.35Å; H566-I573 HydrophobicContact CB-CD1 3.95Å; H566-I573 HydrophobicContact CB-CG1 3.96Å
567	L	64.3	Low	63.9	Low	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	124.9	178.5	-178.6	63.7	0	0	0	109.7	V527 G563 L564 K569 C598 A601 Q790 V793	V527-L567 HydrophobicContact CG2-CD2 4.05Å; G563-L567 WeakPolarHBondContact O-CA 3.16Å; G563-L567 PolarHBondContact O-N 3.21Å; L564-L567 HydrophobicContact CD2-CD2 4.15Å; L564-L567 WeakPolarHBondContact O-CB 3.3Å; L564-L567 PolarHBondContact O-N 3.03Å; L567-K569 PolarHBondContact O-N 2.97Å; L567-C598 WeakPolarHBondContact CA-O 3.46Å; L567-C598 HydrophobicContact CD1-CB 3.93Å; L567-C598 WeakPolarHBondContact CD1-O 3.33Å; L567-A601 HydrophobicContact CD1-CB 3.61Å; L567-Q790 VanDerWaalsContact CD2-CD 3.48Å; L567-Q790 HydrophobicContact CD2-CG 4Å; L567-Q790 PolarHBondContact O-NE2 3.26Å; L567-V793 HydrophobicContact CD1-CG1 4.36Å; L567-V793 HydrophobicContact CD2-CB 4.22Å; L567-V793 HydrophobicContact CD2-CG1 3.94Å
568	G	57.3	Low	64	Low	39 Å²	39	32.7 Å²	32.7	40%	0.402	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.5	17.4	174	0	0	0	0	0	117.7	H566 C598	H566-G568 PolarHBondContact O-N 3.35Å; G568-C598 PolarHBondContact N-O 3.09Å; G568-C598 VanDerWaalsContact N-O 3.08Å
569	K	62.2	Low	64.1	Low	58 Å²	58	33.7 Å²	33.7	25%	0.252	21%	0.21	S	C	.	.			trans	-125.7	64.3	175.6	-84.8	-177.8	168.6	155.7	0	112.8	N273 G528 L567 E571 A572 I573	N273-K569 VanDerWaalsContact ND2-CE 3.3Å; N273-K569 WeakPolarHBondContact ND2-CE 3.09Å; N273-K569 PolarHBondContact ND2-NZ 3.24Å; N273-K569 WeakPolarHBondContact O-CE 3.23Å; N273-K569 PolarHBondContact O-NZ 2.69Å; G528-K569 PolarHBondContact O-NZ 3.39Å; L567-K569 PolarHBondContact O-N 2.97Å; K569-E571 VanDerWaalsContact C-N 3.3Å; K569-E571 PolarHBondContact O-N 3.04Å; K569-A572 PolarHBondContact O-N 2.76Å; K569-I573 WeakPolarHBondContact O-CD1 3.2Å
570	G	56.3	Low	64.2	Low	21 Å²	21	33.1 Å²	33.1	22%	0.216	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-45.7	-38.1	-166.4	0	0	0	0	0	117.7	A572	G570-A572 PolarHBondContact O-N 2.75Å
571	E	59	Low	64.2	Low	154 Å²	154	38.8 Å²	38.8	72%	0.72	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-66.7	-32.2	-175.3	-58.7	-173.8	156.7	0	0	114	K569 I573	K569-E571 VanDerWaalsContact C-N 3.3Å; K569-E571 PolarHBondContact O-N 3.04Å; E571-I573 VanDerWaalsContact C-N 3.27Å; E571-I573 PolarHBondContact O-N 3.12Å
572	A	59.8	Low	64.4	Low	46 Å²	46	44 Å²	44	38%	0.38	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-76.9	-10.9	-173.2	0	0	0	0	0	114	K569 G570	K569-A572 PolarHBondContact O-N 2.76Å; G570-A572 PolarHBondContact O-N 2.75Å
573	I	64.1	Low	64.2	Low	2 Å²	2	44.9 Å²	44.9	1%	0.01	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-83.7	-24.8	-167.4	-75.5	83.5	0	0	0	113.2	H566 K569 E571 A575 I576 L577 V595 A599	H566-I573 HydrophobicContact CB-CD1 3.95Å; H566-I573 HydrophobicContact CB-CG1 3.96Å; K569-I573 WeakPolarHBondContact O-CD1 3.2Å; E571-I573 VanDerWaalsContact C-N 3.27Å; E571-I573 PolarHBondContact O-N 3.12Å; I573-A575 VanDerWaalsContact C-N 3.31Å; I573-A575 PolarHBondContact O-N 3.22Å; I573-I576 CarbonylContact O-C 3.57Å; I573-I576 WeakPolarHBondContact O-CA 3.15Å; I573-I576 WeakPolarHBondContact O-CB 3.44Å; I573-I576 PolarHBondContact O-N 3Å; I573-L577 HydrophobicContact CG2-CD1 3.73Å; I573-L577 HydrophobicContact CG2-CD2 4.4Å; I573-L577 HydrophobicContact CG2-CG 3.68Å; I573-L577 PolarHBondContact O-N 3.36Å; I573-V595 HydrophobicContact CG1-CG1 4.28Å; I573-V595 HydrophobicContact CG2-CG1 3.9Å; I573-A599 HydrophobicContact CB-CB 4.13Å; I573-A599 HydrophobicContact CD1-CB 3.67Å; I573-A599 HydrophobicContact CG1-CB 3.66Å; I573-A599 HydrophobicContact CG2-CB 4.25Å
574	E	65.3	Low	63.7	Low	148 Å²	148	47.4 Å²	47.4	69%	0.692	29%	0.288	S	S	*	.	H	α-helix	trans	-59.2	-41.3	-178.2	-63.3	-159.9	150.9	0	0	112.5	I576 L577 A578	E574-I576 PolarHBondContact O-N 3.4Å; E574-L577 PolarHBondContact O-N 3.1Å; E574-A578 WeakPolarHBondContact O-CB 3.34Å; E574-A578 PolarHBondContact O-N 3.49Å
575	A	65.4	Low	62.7	Low	77 Å²	77	53.4 Å²	53.4	64%	0.636	32%	0.316	S	S	*	.	H	α-helix	trans	-63.2	-28.6	175.2	0	0	0	0	0	113	I573 A579	I573-A575 VanDerWaalsContact C-N 3.31Å; I573-A575 PolarHBondContact O-N 3.22Å; A575-A579 PolarHBondContact O-N 2.93Å
576	I	66.2	Low	62.2	Low	18 Å²	18	55.6 Å²	55.6	9%	0.092	33%	0.33	C	S	.	.	H	α-helix	trans	-85.7	-38.7	-178.2	-59.2	171.1	0	0	0	110.5	T535 I573 E574 A579 L580	T535-I576 HydrophobicContact CG2-CD1 3.99Å; T535-I576 HydrophobicContact CG2-CG1 4.24Å; I573-I576 CarbonylContact O-C 3.57Å; I573-I576 WeakPolarHBondContact O-CA 3.15Å; I573-I576 WeakPolarHBondContact O-CB 3.44Å; I573-I576 PolarHBondContact O-N 3Å; E574-I576 PolarHBondContact O-N 3.4Å; I576-A579 WeakPolarHBondContact O-CB 3.28Å; I576-A579 PolarHBondContact O-N 3.12Å; I576-L580 HydrophobicContact CG2-CD1 4.1Å; I576-L580 WeakPolarHBondContact O-CB 3.49Å; I576-L580 WeakPolarHBondContact O-CG 3.3Å; I576-L580 PolarHBondContact O-N 3.1Å
577	L	68.3	Low	62	Low	35 Å²	35	56.8 Å²	56.8	18%	0.183	34%	0.335	C	S	.	.	H	α-helix	trans	-60.3	-46.4	170.6	-69.7	172.8	0	0	0	110.7	I573 E574 A579 L580 E581 N592	I573-L577 HydrophobicContact CG2-CD1 3.73Å; I573-L577 HydrophobicContact CG2-CD2 4.4Å; I573-L577 HydrophobicContact CG2-CG 3.68Å; I573-L577 PolarHBondContact O-N 3.36Å; E574-L577 PolarHBondContact O-N 3.1Å; L577-A579 PolarHBondContact O-N 3.36Å; L577-L580 PolarHBondContact O-N 2.83Å; L577-L580 VanDerWaalsContact O-N 3.07Å; L577-E581 PolarHBondContact O-N 2.97Å; L577-N592 HydrophobicContact CD2-CB 3.86Å
578	A	67.6	Low	61.9	Low	57 Å²	57	60.1 Å²	60.1	47%	0.471	35%	0.348	S	S	.	.	H	α-helix	trans	-60.2	-31.7	174.5	0	0	0	0	0	113.1	E574	E574-A578 WeakPolarHBondContact O-CB 3.34Å; E574-A578 PolarHBondContact O-N 3.49Å
579	A	67.9	Low	62.3	Low	27 Å²	27	59.7 Å²	59.7	22%	0.223	34%	0.338	C	S	.	.	H	α-helix	trans	-75.5	-34.2	173.6	0	0	0	0	0	113.1	L539 A575 I576 L577	L539-A579 HydrophobicContact CD1-CB 4.34Å; L539-A579 HydrophobicContact CD2-CB 3.84Å; A575-A579 PolarHBondContact O-N 2.93Å; I576-A579 WeakPolarHBondContact O-CB 3.28Å; I576-A579 PolarHBondContact O-N 3.12Å; L577-A579 PolarHBondContact O-N 3.36Å
580	L	66.8	Low	62.5	Low	1 Å²	1	57.4 Å²	57.4	1%	0.005	33%	0.328	C	S	.	.	H	α-helix	trans	-75.3	-23.6	177.1	-71.8	167.2	0	0	0	113.2	L539 I542 L562 I576 L577 V582 V583 A591 N592 V595	L539-L580 HydrophobicContact CD1-CD2 4.06Å; I542-L580 HydrophobicContact CD1-CD2 4.43Å; L562-L580 HydrophobicContact CD1-CD2 4.27Å; I576-L580 HydrophobicContact CG2-CD1 4.1Å; I576-L580 WeakPolarHBondContact O-CB 3.49Å; I576-L580 WeakPolarHBondContact O-CG 3.3Å; I576-L580 PolarHBondContact O-N 3.1Å; L577-L580 PolarHBondContact O-N 2.83Å; L577-L580 VanDerWaalsContact O-N 3.07Å; L580-V582 PolarHBondContact O-N 2.91Å; L580-V582 VanDerWaalsContact O-N 3.11Å; L580-V583 WeakPolarHBondContact O-CB 3.47Å; L580-V583 WeakPolarHBondContact O-CG2 3.34Å; L580-V583 PolarHBondContact O-N 3.37Å; L580-A591 HydrophobicContact CD2-CB 4.42Å; L580-N592 WeakPolarHBondContact CB-OD1 3.35Å; L580-V595 HydrophobicContact CD1-CG2 4.17Å
581	E	65.4	Low	62.9	Low	120 Å²	120	56.7 Å²	56.7	56%	0.561	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-23.6	171.7	-77.5	-175.8	178.9	0	0	113.4	L577 V583 R588	L577-E581 PolarHBondContact O-N 2.97Å; E581-V583 PolarHBondContact O-N 3.45Å; E581-R588 PolarHBondContact O-NE 3.23Å; E581-R588 VanDerWaalsContact O-NE 3.15Å; E581-R588 PolarHBondContact O-NH2 2.73Å
582	V	67.2	Low	63.5	Low	110 Å²	110	50.8 Å²	50.8	67%	0.667	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-21.5	177	-172.4	0	0	0	0	112.4	M543 L580	M543-V582 HydrophobicContact CE-CB 4.32Å; L580-V582 PolarHBondContact O-N 2.91Å; L580-V582 VanDerWaalsContact O-N 3.11Å
583	V	63.6	Low	64	Low	18 Å²	18	49.1 Å²	49.1	11%	0.109	28%	0.279	C	S	.	.	S	Bend	trans	-76	152.6	-178.9	-173.5	0	0	0	0	111.2	I542 L580 E581 R588	I542-V583 HydrophobicContact CG2-CG1 3.99Å; I542-V583 HydrophobicContact CG2-CG2 3.63Å; L580-V583 WeakPolarHBondContact O-CB 3.47Å; L580-V583 WeakPolarHBondContact O-CG2 3.34Å; L580-V583 PolarHBondContact O-N 3.37Å; E581-V583 PolarHBondContact O-N 3.45Å; V583-R588 VanDerWaalsContact O-CZ 3.26Å; V583-R588 PolarHBondContact O-NE 3.29Å; V583-R588 PolarHBondContact O-NH2 3.49Å
584	S	55.4	Low	64	Low	53 Å²	53	49.3 Å²	49.3	37%	0.371	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-77.1	151.4	179.9	51.1	0	0	0	0	114.5	F587 R588	S584-F587 PolarHBondContact O-N 3.12Å; S584-R588 PolarHBondContact O-N 2.86Å; S584-R588 VanDerWaalsContact O-N 3.12Å
585	E	43.3	Very low	64.2	Low	127 Å²	127	42.2 Å²	42.2	59%	0.593	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.2	145.8	175.1	-62.9	-176.9	-178.9	0	0	110.8	R588	E585-R588 HydrophobicContact CG-CB 4.17Å; E585-R588 IonicContact OE1-CZ 3.96Å; E585-R588 IonicContact OE1-NH1 3.32Å; E585-R588 PolarHBondContact OE1-NH1 2.94Å
586	P	57.1	Low	64.5	Low	46 Å²	46	39.6 Å²	39.6	30%	0.299	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	cis	-91.2	-1.6	11.3	36.4	-37.4	0	0	0	115.4	R588 S589 D645 M646	P586-R588 PolarHBondContact O-N 3.26Å; P586-S589 PolarHBondContact O-N 3.37Å; P586-D645 HydrophobicContact CG-CB 4.27Å; P586-M646 HydrophobicContact CB-SD 3.65Å
587	F	58.8	Low	64.5	Low	35 Å²	35	38.9 Å²	38.9	15%	0.154	22%	0.219	C	C	.	.	H	α-helix	trans	-71.1	-31.1	-174	-76.4	-82.4	0	0	0	113.4	L550 K551 S584 S589 F590 A591	L550-F587 HydrophobicContact CB-CD2 3.84Å; L550-F587 HydrophobicContact CB-CE2 4.09Å; L550-F587 HydrophobicContact CB-CG 4.1Å; L550-F587 WeakPolarHBondContact O-CE1 3.36Å; L550-F587 WeakPolarHBondContact O-CZ 3.45Å; K551-F587 HydrophobicContact CG-CE2 4.1Å; K551-F587 HydrophobicContact CG-CZ 4.45Å; S584-F587 PolarHBondContact O-N 3.12Å; F587-S589 VanDerWaalsContact C-N 3.35Å; F587-S589 PolarHBondContact O-N 3.48Å; F587-F590 PolarHBondContact O-N 3.09Å; F587-A591 PolarHBondContact O-N 3.05Å
588	R	63.3	Low	64	Low	71 Å²	71	37.2 Å²	37.2	27%	0.268	21%	0.21	S	C	.	.	H	α-helix	trans	-43.5	-57.1	166.3	179.3	-165.6	-67.1	174.5	-14.9	112.1	E581 V583 S584 E585 P586 F590 A591 N592	E581-R588 PolarHBondContact O-NE 3.23Å; E581-R588 VanDerWaalsContact O-NE 3.15Å; E581-R588 PolarHBondContact O-NH2 2.73Å; V583-R588 VanDerWaalsContact O-CZ 3.26Å; V583-R588 PolarHBondContact O-NE 3.29Å; V583-R588 PolarHBondContact O-NH2 3.49Å; S584-R588 PolarHBondContact O-N 2.86Å; S584-R588 VanDerWaalsContact O-N 3.12Å; E585-R588 HydrophobicContact CG-CB 4.17Å; E585-R588 IonicContact OE1-CZ 3.96Å; E585-R588 IonicContact OE1-NH1 3.32Å; E585-R588 PolarHBondContact OE1-NH1 2.94Å; P586-R588 PolarHBondContact O-N 3.26Å; R588-F590 PolarHBondContact O-N 3.02Å; R588-A591 PolarHBondContact O-N 3.17Å; R588-A591 VanDerWaalsContact O-N 3.17Å; R588-N592 WeakPolarHBondContact O-CB 3.33Å; R588-N592 PolarHBondContact O-N 3.47Å; R588-N592 PolarHBondContact O-OD1 3.4Å
589	S	65.4	Low	63.9	Low	29 Å²	29	34.7 Å²	34.7	20%	0.203	19%	0.189	C	C	.	.	H	α-helix	trans	-65.4	-38.8	-173	-38.2	0	0	0	0	112	P586 F587 T593 H649	P586-S589 PolarHBondContact O-N 3.37Å; F587-S589 VanDerWaalsContact C-N 3.35Å; F587-S589 PolarHBondContact O-N 3.48Å; S589-T593 WeakPolarHBondContact O-CB 3.38Å; S589-T593 PolarHBondContact O-N 3.01Å; S589-T593 PolarHBondContact O-OG1 3.05Å; S589-H649 WeakPolarHBondContact CB-NE2 3.46Å; S589-H649 PolarHBondContact O-CD2 2.79Å; S589-H649 VanDerWaalsContact O-CD2 3.24Å; S589-H649 PolarHBondContact O-NE2 3.5Å
590	F	65.3	Low	63.6	Low	10 Å²	10	35.5 Å²	35.5	4%	0.044	19%	0.187	C	C	.	.	H	α-helix	trans	-63.9	-41.1	174.2	-178.3	-86	0	0	0	112.2	R556 F587 R588 T593 L594 A648 V652	R556-F590 HydrophobicContact CB-CE1 4.07Å; R556-F590 HydrophobicContact CB-CZ 4.03Å; R556-F590 HydrophobicContact CG-CE1 4.06Å; R556-F590 HydrophobicContact CG-CZ 3.84Å; F587-F590 PolarHBondContact O-N 3.09Å; R588-F590 PolarHBondContact O-N 3.02Å; F590-T593 PolarHBondContact O-OG1 3.37Å; F590-L594 HydrophobicContact CE1-CD2 4.27Å; F590-L594 VanDerWaalsContact O-CB 3.32Å; F590-L594 WeakPolarHBondContact O-CB 3.46Å; F590-L594 PolarHBondContact O-N 3.1Å; F590-L594 VanDerWaalsContact O-N 3.13Å; F590-A648 HydrophobicContact CD2-CB 3.91Å; F590-A648 HydrophobicContact CE2-CB 3.78Å; F590-V652 HydrophobicContact CD2-CG2 4.11Å; F590-V652 HydrophobicContact CE2-CB 4.35Å; F590-V652 HydrophobicContact CE2-CG2 3.37Å; F590-V652 HydrophobicContact CZ-CG2 3.72Å
591	A	65.8	Low	63.3	Low	7 Å²	7	35.9 Å²	35.9	6%	0.058	19%	0.19	C	C	.	.	H	α-helix	trans	-68.2	-48.7	176.5	0	0	0	0	0	111.7	P559 L580 F587 R588 T593 L594 V595	P559-A591 HydrophobicContact CB-CB 3.84Å; P559-A591 HydrophobicContact CG-CB 3.82Å; L580-A591 HydrophobicContact CD2-CB 4.42Å; F587-A591 PolarHBondContact O-N 3.05Å; R588-A591 PolarHBondContact O-N 3.17Å; R588-A591 VanDerWaalsContact O-N 3.17Å; A591-T593 PolarHBondContact O-N 3.31Å; A591-L594 PolarHBondContact O-N 3.44Å; A591-V595 WeakPolarHBondContact O-CG2 3.38Å; A591-V595 PolarHBondContact O-N 3.16Å
592	N	71.9	Confident	62.9	Low	29 Å²	29	31.2 Å²	31.2	16%	0.155	17%	0.174	C	C	.	.	H	α-helix	trans	-60.3	-48	-179.8	-72.3	19.6	0	0	0	111.2	L577 L580 R588 L594 V595 D596	L577-N592 HydrophobicContact CD2-CB 3.86Å; L580-N592 WeakPolarHBondContact CB-OD1 3.35Å; R588-N592 WeakPolarHBondContact O-CB 3.33Å; R588-N592 PolarHBondContact O-N 3.47Å; R588-N592 PolarHBondContact O-OD1 3.4Å; N592-L594 PolarHBondContact O-N 3.09Å; N592-V595 PolarHBondContact O-N 3.41Å; N592-D596 WeakPolarHBondContact O-CB 3.4Å; N592-D596 PolarHBondContact O-N 3.18Å
593	T	69.2	Low	62.7	Low	12 Å²	12	28.3 Å²	28.3	7%	0.074	16%	0.159	C	C	.	.	H	α-helix	trans	-65.5	-35.9	177.3	46.7	0	0	0	0	113.1	S589 F590 A591 V597 I615 H649	S589-T593 WeakPolarHBondContact O-CB 3.38Å; S589-T593 PolarHBondContact O-N 3.01Å; S589-T593 PolarHBondContact O-OG1 3.05Å; F590-T593 PolarHBondContact O-OG1 3.37Å; A591-T593 PolarHBondContact O-N 3.31Å; T593-V597 WeakPolarHBondContact O-CB 3.45Å; T593-V597 WeakPolarHBondContact O-CG2 3.43Å; T593-V597 PolarHBondContact O-N 3.24Å; T593-I615 HydrophobicContact CG2-CD1 4.27Å; T593-H649 VanDerWaalsContact CG2-NE2 3.26Å; T593-H649 WeakPolarHBondContact CG2-NE2 3.48Å; T593-H649 PolarHBondContact OG1-CD2 2.98Å; T593-H649 VanDerWaalsContact OG1-CD2 3.28Å
594	L	65.4	Low	62.4	Low	5 Å²	5	28 Å²	28	3%	0.026	16%	0.159	C	C	.	.	H	α-helix	trans	-69.6	-41.5	177.3	-173.3	58	0	0	0	112.4	P559 L560 F590 A591 N592 C598 V652	P559-L594 HydrophobicContact CB-CD2 4.23Å; L560-L594 HydrophobicContact CB-CD2 3.98Å; L560-L594 HydrophobicContact CD1-CD2 4.28Å; F590-L594 HydrophobicContact CE1-CD2 4.27Å; F590-L594 VanDerWaalsContact O-CB 3.32Å; F590-L594 WeakPolarHBondContact O-CB 3.46Å; F590-L594 PolarHBondContact O-N 3.1Å; F590-L594 VanDerWaalsContact O-N 3.13Å; A591-L594 PolarHBondContact O-N 3.44Å; N592-L594 PolarHBondContact O-N 3.09Å; L594-C598 PolarHBondContact O-N 2.56Å; L594-C598 PolarHBondContact O-SG 3.1Å; L594-V652 HydrophobicContact CB-CG1 4.02Å; L594-V652 HydrophobicContact CD1-CG1 3.88Å
595	V	69.6	Low	62.8	Low	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-69.8	-44	178.3	175.9	0	0	0	0	110.9	L562 I573 L580 A591 N592 V597 C598 A599	L562-V595 HydrophobicContact CB-CG2 4.08Å; I573-V595 HydrophobicContact CG1-CG1 4.28Å; I573-V595 HydrophobicContact CG2-CG1 3.9Å; L580-V595 HydrophobicContact CD1-CG2 4.17Å; A591-V595 WeakPolarHBondContact O-CG2 3.38Å; A591-V595 PolarHBondContact O-N 3.16Å; N592-V595 PolarHBondContact O-N 3.41Å; V595-V597 VanDerWaalsContact C-N 3.34Å; V595-V597 PolarHBondContact O-N 3.26Å; V595-C598 PolarHBondContact O-N 3.01Å; V595-A599 WeakPolarHBondContact O-CB 3.26Å; V595-A599 PolarHBondContact O-N 3.25Å
596	D	70.9	Confident	63.8	Low	22 Å²	22	25.5 Å²	25.5	12%	0.118	15%	0.149	C	C	.	.	H	α-helix	trans	-60.2	-42.4	174.8	-166.9	55.5	0	0	0	111.7	N592 C598 A599 Y600 K608	N592-D596 WeakPolarHBondContact O-CB 3.4Å; N592-D596 PolarHBondContact O-N 3.18Å; D596-C598 PolarHBondContact O-N 2.95Å; D596-A599 WeakPolarHBondContact O-CB 3.3Å; D596-A599 PolarHBondContact O-N 3.3Å; D596-Y600 VanDerWaalsContact O-CD2 3.27Å; D596-Y600 WeakPolarHBondContact O-CD2 3.3Å; D596-Y600 PolarHBondContact O-N 2.69Å; D596-Y600 WeakPolarHBondContact OD1-CE2 3.46Å; D596-K608 IonicContact OD1-NZ 3.72Å; D596-K608 PolarHBondContact OD1-NZ 3.5Å; D596-K608 WeakPolarHBondContact OD2-CD 3.47Å; D596-K608 IonicContact OD2-NZ 2.91Å; D596-K608 PolarHBondContact OD2-NZ 2.89Å
597	V	65.4	Low	64.3	Low	2 Å²	2	28.9 Å²	28.9	1%	0.012	16%	0.164	C	C	.	.	H	α-helix	trans	-63.4	-40.1	175.7	155.7	0	0	0	0	113	T593 V595 A601 L612 L659	T593-V597 WeakPolarHBondContact O-CB 3.45Å; T593-V597 WeakPolarHBondContact O-CG2 3.43Å; T593-V597 PolarHBondContact O-N 3.24Å; V595-V597 VanDerWaalsContact C-N 3.34Å; V595-V597 PolarHBondContact O-N 3.26Å; V597-A601 PolarHBondContact O-N 3.42Å; V597-L612 HydrophobicContact CG2-CD1 3.79Å; V597-L612 HydrophobicContact CG2-CD2 3.88Å; V597-L659 HydrophobicContact CG1-CB 4.42Å; V597-L659 HydrophobicContact CG1-CD1 3.4Å
598	C	59.3	Low	64.7	Low	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-72.4	-34.5	176.4	-68.1	0	0	0	0	111.8	G563 L567 G568 L594 V595 D596 Y600 A601	G563-C598 WeakPolarHBondContact O-CB 3.48Å; L567-C598 WeakPolarHBondContact CA-O 3.46Å; L567-C598 HydrophobicContact CD1-CB 3.93Å; L567-C598 WeakPolarHBondContact CD1-O 3.33Å; G568-C598 PolarHBondContact N-O 3.09Å; G568-C598 VanDerWaalsContact N-O 3.08Å; L594-C598 PolarHBondContact O-N 2.56Å; L594-C598 PolarHBondContact O-SG 3.1Å; V595-C598 PolarHBondContact O-N 3.01Å; D596-C598 PolarHBondContact O-N 2.95Å; C598-Y600 VanDerWaalsContact C-N 3.29Å; C598-Y600 PolarHBondContact O-N 3.1Å; C598-A601 PolarHBondContact O-N 3.25Å
599	A	64.4	Low	64.9	Low	4 Å²	4	26.9 Å²	26.9	3%	0.033	16%	0.159	C	C	.	.	H	α-helix	trans	-55.1	-45	175.6	0	0	0	0	0	112.3	I573 V595 D596	I573-A599 HydrophobicContact CB-CB 4.13Å; I573-A599 HydrophobicContact CD1-CB 3.67Å; I573-A599 HydrophobicContact CG1-CB 3.66Å; I573-A599 HydrophobicContact CG2-CB 4.25Å; V595-A599 WeakPolarHBondContact O-CB 3.26Å; V595-A599 PolarHBondContact O-N 3.25Å; D596-A599 WeakPolarHBondContact O-CB 3.3Å; D596-A599 PolarHBondContact O-N 3.3Å
600	Y	62.4	Low	65	Low	44 Å²	44	31.4 Å²	31.4	17%	0.173	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	21.4	-176.8	-60.2	-73.2	0	0	0	114	D596 C598 G602 S603 K608 I660	D596-Y600 VanDerWaalsContact O-CD2 3.27Å; D596-Y600 WeakPolarHBondContact O-CD2 3.3Å; D596-Y600 PolarHBondContact O-N 2.69Å; D596-Y600 WeakPolarHBondContact OD1-CE2 3.46Å; C598-Y600 VanDerWaalsContact C-N 3.29Å; C598-Y600 PolarHBondContact O-N 3.1Å; Y600-G602 PolarHBondContact O-N 3.04Å; Y600-S603 PolarHBondContact O-N 3.31Å; Y600-S603 PolarHBondContact O-OG 3.21Å; Y600-K608 HydrophobicContact CD2-CD 3.65Å; Y600-K608 HydrophobicContact CD2-CG 3.86Å; Y600-K608 HydrophobicContact CE2-CD 3.76Å; Y600-K608 HydrophobicContact CE2-CG 4.18Å; Y600-K608 HydrophobicContact CG-CD 4.39Å; Y600-K608 HydrophobicContact CG-CG 4.09Å; Y600-I660 WeakPolarHBondContact O-CG1 3.34Å
601	A	60.4	Low	65.2	Low	9 Å²	9	35.8 Å²	35.8	7%	0.074	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	132.1	175.8	0	0	0	0	0	111	L567 V597 C598 S603 M788	L567-A601 HydrophobicContact CD1-CB 3.61Å; V597-A601 PolarHBondContact O-N 3.42Å; C598-A601 PolarHBondContact O-N 3.25Å; A601-S603 PolarHBondContact O-N 3.24Å; A601-S603 VanDerWaalsContact O-N 3.13Å; A601-M788 HydrophobicContact CB-CE 4.14Å
602	G	57.7	Low	65.3	Low	22 Å²	22	35.6 Å²	35.6	23%	0.227	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.2	-14.6	177	0	0	0	0	0	117.4	Y600 G604 L659	Y600-G602 PolarHBondContact O-N 3.04Å; G602-G604 PolarHBondContact O-N 2.95Å; G602-L659 PolarHBondContact N-O 2.92Å
603	S	61.2	Low	65.1	Low	50 Å²	50	36.3 Å²	36.3	35%	0.35	20%	0.199	S	C	.	.	S	Bend	trans	-81.1	12.6	-173.8	64.9	0	0	0	0	115.6	Y600 A601 N605	Y600-S603 PolarHBondContact O-N 3.31Å; Y600-S603 PolarHBondContact O-OG 3.21Å; A601-S603 PolarHBondContact O-N 3.24Å; A601-S603 VanDerWaalsContact O-N 3.13Å; S603-N605 PolarHBondContact O-N 3.2Å
604	G	58	Low	65.3	Low	11 Å²	11	41.3 Å²	41.3	11%	0.113	22%	0.221	C	C	.	.			trans	65.6	-11	174.7	0	0	0	0	0	116.8	G602 V606 E664	G602-G604 PolarHBondContact O-N 2.95Å; G604-V606 PolarHBondContact O-N 3.42Å; G604-E664 VanDerWaalsContact CA-OE1 3.27Å; G604-E664 WeakPolarHBondContact CA-OE1 3.49Å
605	N	63.6	Low	65.4	Low	42 Å²	42	43.2 Å²	43.2	23%	0.225	23%	0.231	C	C	.	.			trans	-54	103.6	-159.4	-171.4	-35.2	0	0	0	114.1	S603 L607 K608 V609	S603-N605 PolarHBondContact O-N 3.2Å; N605-L607 VanDerWaalsContact C-N 3.28Å; N605-L607 PolarHBondContact O-N 3.33Å; N605-L607 WeakPolarHBondContact OD1-CB 3.21Å; N605-L607 PolarHBondContact OD1-N 3.42Å; N605-K608 HydrophobicContact CB-CB 4.35Å; N605-K608 HydrophobicContact CB-CG 4.48Å; N605-K608 PolarHBondContact O-N 3.02Å; N605-K608 PolarHBondContact OD1-N 3.31Å; N605-V609 PolarHBondContact O-N 3.19Å; N605-V609 VanDerWaalsContact O-N 3.09Å
606	V	63.9	Low	64.9	Low	85 Å²	85	43.8 Å²	43.8	52%	0.515	24%	0.235	S	C	.	.	H	α-helix	trans	-65	-28.8	-174.6	-175.3	0	0	0	0	112.3	G604 V609 Q610	G604-V606 PolarHBondContact O-N 3.42Å; V606-V609 PolarHBondContact O-N 2.83Å; V606-Q610 WeakPolarHBondContact O-CB 3.5Å; V606-Q610 VanDerWaalsContact O-CG 3.29Å; V606-Q610 WeakPolarHBondContact O-CG 3.4Å; V606-Q610 PolarHBondContact O-N 3.24Å
607	L	68.6	Low	64.3	Low	118 Å²	118	46.1 Å²	46.1	62%	0.618	25%	0.253	S	S	*	.	H	α-helix	trans	-69.2	-41.8	177.1	-69.3	87.5	0	0	0	111	N605 Q610 Q611	N605-L607 VanDerWaalsContact C-N 3.28Å; N605-L607 PolarHBondContact O-N 3.33Å; N605-L607 WeakPolarHBondContact OD1-CB 3.21Å; N605-L607 PolarHBondContact OD1-N 3.42Å; L607-Q610 PolarHBondContact O-N 3.13Å; L607-Q611 WeakPolarHBondContact O-CG 3.31Å; L607-Q611 PolarHBondContact O-N 3.5Å
608	K	66.9	Low	64	Low	35 Å²	35	49.9 Å²	49.9	15%	0.152	27%	0.271	C	S	.	.	H	α-helix	trans	-64.8	-41.1	174.4	-75	-80.3	167.3	172.4	0	111.4	D596 Y600 N605 Q610 Q611 L612 I660	D596-K608 IonicContact OD1-NZ 3.72Å; D596-K608 PolarHBondContact OD1-NZ 3.5Å; D596-K608 WeakPolarHBondContact OD2-CD 3.47Å; D596-K608 IonicContact OD2-NZ 2.91Å; D596-K608 PolarHBondContact OD2-NZ 2.89Å; Y600-K608 HydrophobicContact CD2-CD 3.65Å; Y600-K608 HydrophobicContact CD2-CG 3.86Å; Y600-K608 HydrophobicContact CE2-CD 3.76Å; Y600-K608 HydrophobicContact CE2-CG 4.18Å; Y600-K608 HydrophobicContact CG-CD 4.39Å; Y600-K608 HydrophobicContact CG-CG 4.09Å; N605-K608 HydrophobicContact CB-CB 4.35Å; N605-K608 HydrophobicContact CB-CG 4.48Å; N605-K608 PolarHBondContact O-N 3.02Å; N605-K608 PolarHBondContact OD1-N 3.31Å; K608-Q610 VanDerWaalsContact C-N 3.33Å; K608-Q610 PolarHBondContact O-N 2.95Å; K608-Q611 PolarHBondContact O-N 2.93Å; K608-L612 WeakPolarHBondContact O-CG 3.49Å; K608-L612 PolarHBondContact O-N 3.02Å; K608-I660 HydrophobicContact CB-CD1 4.25Å
609	V	66.8	Low	63.4	Low	29 Å²	29	55.4 Å²	55.4	18%	0.176	30%	0.296	C	S	.	.	H	α-helix	trans	-60.3	-40.3	171.8	175.8	0	0	0	0	111.7	N605 V606 L613 I657 I660	N605-V609 PolarHBondContact O-N 3.19Å; N605-V609 VanDerWaalsContact O-N 3.09Å; V606-V609 PolarHBondContact O-N 2.83Å; V609-L613 HydrophobicContact CG1-CD1 3.89Å; V609-L613 HydrophobicContact CG1-CG 4.42Å; V609-L613 WeakPolarHBondContact O-CB 3.39Å; V609-L613 WeakPolarHBondContact O-CG 2.98Å; V609-L613 PolarHBondContact O-N 2.91Å; V609-I657 HydrophobicContact CG1-CG2 4.34Å; V609-I660 HydrophobicContact CG2-CB 4.02Å; V609-I660 HydrophobicContact CG2-CD1 4.06Å; V609-I660 HydrophobicContact CG2-CG2 3.72Å
610	Q	68.1	Low	62.2	Low	124 Å²	124	62.2 Å²	62.2	58%	0.579	33%	0.325	S	S	*	.	H	α-helix	trans	-65.9	-40.8	175.6	-74.9	175.7	28.2	0	0	112.9	V606 L607 K608 L613 H614	V606-Q610 WeakPolarHBondContact O-CB 3.5Å; V606-Q610 VanDerWaalsContact O-CG 3.29Å; V606-Q610 WeakPolarHBondContact O-CG 3.4Å; V606-Q610 PolarHBondContact O-N 3.24Å; L607-Q610 PolarHBondContact O-N 3.13Å; K608-Q610 VanDerWaalsContact C-N 3.33Å; K608-Q610 PolarHBondContact O-N 2.95Å; Q610-L613 PolarHBondContact O-N 3.33Å; Q610-H614 PolarHBondContact O-N 2.76Å
611	Q	69.9	Low	60.8	Low	101 Å²	101	64.9 Å²	64.9	47%	0.472	34%	0.342	S	S	.	.	H	α-helix	trans	-62.1	-47.2	175.2	-71.8	171.3	-5.5	0	0	111.4	L607 K608 L613 H614 I615	L607-Q611 WeakPolarHBondContact O-CG 3.31Å; L607-Q611 PolarHBondContact O-N 3.5Å; K608-Q611 PolarHBondContact O-N 2.93Å; Q611-L613 VanDerWaalsContact C-N 3.29Å; Q611-L613 PolarHBondContact O-N 3.34Å; Q611-H614 WeakPolarHBondContact O-CB 3.19Å; Q611-H614 PolarHBondContact O-N 3.46Å; Q611-H614 VanDerWaalsContact O-N 3.16Å; Q611-I615 WeakPolarHBondContact O-CG1 3.1Å; Q611-I615 PolarHBondContact O-N 3.13Å; Q611-I615 VanDerWaalsContact O-N 3.1Å
612	L	67.1	Low	59.5	Low	4 Å²	4	70.2 Å²	70.2	2%	0.021	38%	0.379	C	S	.	.	H	α-helix	trans	-62.5	-35.7	175.3	-67.1	168.2	0	0	0	112.1	V597 K608 I615 C616 A653 I657 I660	V597-L612 HydrophobicContact CG2-CD1 3.79Å; V597-L612 HydrophobicContact CG2-CD2 3.88Å; K608-L612 WeakPolarHBondContact O-CG 3.49Å; K608-L612 PolarHBondContact O-N 3.02Å; L612-I615 PolarHBondContact O-N 2.88Å; L612-C616 PolarHBondContact O-N 3.32Å; L612-C616 PolarHBondContact O-SG 3.2Å; L612-A653 HydrophobicContact CD2-CB 4.05Å; L612-I657 HydrophobicContact CB-CD1 4.11Å; L612-I657 HydrophobicContact CB-CG1 3.84Å; L612-I657 HydrophobicContact CD1-CG1 4.32Å; L612-I660 HydrophobicContact CD1-CD1 3.54Å
613	L	68.3	Low	58.2	Low	43 Å²	43	75.6 Å²	75.6	23%	0.225	40%	0.396	C	S	.	.	H	α-helix	trans	-70.2	-33	174.1	-74.8	170.1	0	0	0	113.3	V609 Q610 Q611 C616 S617 I657 T674 L678	V609-L613 HydrophobicContact CG1-CD1 3.89Å; V609-L613 HydrophobicContact CG1-CG 4.42Å; V609-L613 WeakPolarHBondContact O-CB 3.39Å; V609-L613 WeakPolarHBondContact O-CG 2.98Å; V609-L613 PolarHBondContact O-N 2.91Å; Q610-L613 PolarHBondContact O-N 3.33Å; Q611-L613 VanDerWaalsContact C-N 3.29Å; Q611-L613 PolarHBondContact O-N 3.34Å; L613-C616 PolarHBondContact O-N 2.89Å; L613-S617 WeakPolarHBondContact O-CB 3.17Å; L613-S617 PolarHBondContact O-N 3.28Å; L613-S617 PolarHBondContact O-OG 3.11Å; L613-I657 HydrophobicContact CD2-CD1 3.59Å; L613-I657 HydrophobicContact CG-CD1 3.88Å; L613-T674 HydrophobicContact CD1-CG2 3.97Å; L613-T674 HydrophobicContact CD2-CG2 3.4Å; L613-T674 VanDerWaalsContact CD2-CG2 3.4Å; L613-T674 HydrophobicContact CG-CG2 4.36Å; L613-L678 HydrophobicContact CD2-CD1 4.17Å
614	H	73.5	Confident	56.7	Low	117 Å²	117	81.2 Å²	81.2	54%	0.542	42%	0.422	S	S	.	.	H	α-helix	trans	-60.9	-50.2	171	-162.4	-82.4	0	0	0	110.1	Q610 Q611 C616 S617 E618	Q610-H614 PolarHBondContact O-N 2.76Å; Q611-H614 WeakPolarHBondContact O-CB 3.19Å; Q611-H614 PolarHBondContact O-N 3.46Å; Q611-H614 VanDerWaalsContact O-N 3.16Å; H614-C616 VanDerWaalsContact C-N 3.29Å; H614-C616 PolarHBondContact O-N 3.42Å; H614-S617 CarbonylContact O-C 3.56Å; H614-S617 WeakPolarHBondContact O-CA 3.35Å; H614-S617 PolarHBondContact O-N 3.11Å; H614-S617 PolarHBondContact O-OG 3.46Å; H614-E618 IonicContact CE1-OE1 2.75Å; H614-E618 PolarHBondContact CE1-OE1 3Å; H614-E618 IonicContact ND1-OE1 2.86Å; H614-E618 PolarHBondContact ND1-OE1 3.23Å; H614-E618 PolarHBondContact O-N 3.27Å
615	I	67.3	Low	55.4	Low	45 Å²	45	89.1 Å²	89.1	23%	0.231	45%	0.454	C	S	.	.	H	α-helix	trans	-57.2	-37.9	175.1	-68.4	166.1	0	0	0	112.2	T593 Q611 L612 S617 H649 A653	T593-I615 HydrophobicContact CG2-CD1 4.27Å; Q611-I615 WeakPolarHBondContact O-CG1 3.1Å; Q611-I615 PolarHBondContact O-N 3.13Å; Q611-I615 VanDerWaalsContact O-N 3.1Å; L612-I615 PolarHBondContact O-N 2.88Å; I615-S617 VanDerWaalsContact C-N 3.3Å; I615-S617 PolarHBondContact O-N 3.36Å; I615-H649 VanDerWaalsContact CG2-CE1 3.4Å; I615-H649 WeakPolarHBondContact CG2-CE1 3.26Å; I615-A653 HydrophobicContact CG2-CB 4.35Å
616	C	58.7	Low	53.8	Low	13 Å²	13	94.5 Å²	94.5	9%	0.088	48%	0.478	C	S	.	.	H	α-helix	trans	-75.4	-13.1	173.8	-69.2	0	0	0	0	114.5	L612 L613 H614 L678	L612-C616 PolarHBondContact O-N 3.32Å; L612-C616 PolarHBondContact O-SG 3.2Å; L613-C616 PolarHBondContact O-N 2.89Å; H614-C616 VanDerWaalsContact C-N 3.29Å; H614-C616 PolarHBondContact O-N 3.42Å; C616-L678 HydrophobicContact CB-CD2 4.05Å
617	S	58.8	Low	52.1	Low	70 Å²	70	100 Å²	100	49%	0.49	50%	0.497	S	S	.	.	H	α-helix	trans	-100.1	-17.3	179.9	76.1	0	0	0	0	113.8	L613 H614 I615 H619	L613-S617 WeakPolarHBondContact O-CB 3.17Å; L613-S617 PolarHBondContact O-N 3.28Å; L613-S617 PolarHBondContact O-OG 3.11Å; H614-S617 CarbonylContact O-C 3.56Å; H614-S617 WeakPolarHBondContact O-CA 3.35Å; H614-S617 PolarHBondContact O-N 3.11Å; H614-S617 PolarHBondContact O-OG 3.46Å; I615-S617 VanDerWaalsContact C-N 3.3Å; I615-S617 PolarHBondContact O-N 3.36Å; S617-H619 PolarHBondContact O-N 2.83Å
618	E	59.2	Low	50.2	Low	82 Å²	82	102 Å²	102	38%	0.383	51%	0.509	S	S	.	.			trans	-68.9	92.4	172.9	-76.7	174.9	-146.4	0	0	111	H614 F620 Q650	H614-E618 IonicContact CE1-OE1 2.75Å; H614-E618 PolarHBondContact CE1-OE1 3Å; H614-E618 IonicContact ND1-OE1 2.86Å; H614-E618 PolarHBondContact ND1-OE1 3.23Å; H614-E618 PolarHBondContact O-N 3.27Å; E618-F620 PolarHBondContact O-N 3.32Å; E618-F620 VanDerWaalsContact O-N 3.14Å; E618-Q650 PolarHBondContact O-NE2 3.26Å
619	H	45.8	Very low	48.5	Very low	115 Å²	115	108.6 Å²	108.6	53%	0.532	54%	0.538	S	S	.	.			trans	-67.5	104.2	164.6	-71.6	-68.1	0	0	0	109.6	S617 D621	S617-H619 PolarHBondContact O-N 2.83Å; H619-D621 PolarHBondContact O-N 3.29Å
620	F	40.3	Very low	46.7	Very low	148 Å²	148	113 Å²	113	65%	0.649	56%	0.561	S	S	*	*			trans	-72.9	72.8	170.4	-101.6	-91.5	0	0	0	110.9	E618 S622	E618-F620 PolarHBondContact O-N 3.32Å; E618-F620 VanDerWaalsContact O-N 3.14Å; F620-S622 PolarHBondContact O-N 2.96Å
621	D	32	Very low	44.7	Very low	99 Å²	99	115.3 Å²	115.3	53%	0.529	57%	0.568	S	S	.	*			trans	-61.3	116	-179	-150.6	-21.1	0	0	0	109.9	H619 K623	H619-D621 PolarHBondContact O-N 3.29Å; D621-K623 HydrophobicContact CB-CD 4.25Å; D621-K623 HydrophobicContact CB-CG 4.5Å; D621-K623 VanDerWaalsContact CG-CE 3.41Å; D621-K623 VanDerWaalsContact CG-NZ 3.33Å; D621-K623 PolarHBondContact O-N 3.05Å; D621-K623 WeakPolarHBondContact OD1-CD 3.1Å; D621-K623 WeakPolarHBondContact OD1-CE 3.49Å; D621-K623 IonicContact OD1-NZ 3.87Å; D621-K623 PolarHBondContact OD1-NZ 3.49Å; D621-K623 VanDerWaalsContact OD2-CE 3.25Å; D621-K623 WeakPolarHBondContact OD2-CE 3.45Å; D621-K623 IonicContact OD2-NZ 2.73Å; D621-K623 PolarHBondContact OD2-NZ 3.26Å
622	S	34.3	Very low	42.5	Very low	121 Å²	121	118.8 Å²	118.8	85%	0.846	58%	0.582	S	S	*	*			trans	-77.2	66	-170	68	0	0	0	0	112.5	F620	F620-S622 PolarHBondContact O-N 2.96Å
623	K	29.3	Very low	40.3	Very low	135 Å²	135	126.2 Å²	126.2	59%	0.587	62%	0.617	S	S	*	*			trans	-112.4	-16.1	-166.6	-77.7	178.5	175.6	160.8	0	116.4	D621 K625	D621-K623 HydrophobicContact CB-CD 4.25Å; D621-K623 HydrophobicContact CB-CG 4.5Å; D621-K623 VanDerWaalsContact CG-CE 3.41Å; D621-K623 VanDerWaalsContact CG-NZ 3.33Å; D621-K623 PolarHBondContact O-N 3.05Å; D621-K623 WeakPolarHBondContact OD1-CD 3.1Å; D621-K623 WeakPolarHBondContact OD1-CE 3.49Å; D621-K623 IonicContact OD1-NZ 3.87Å; D621-K623 PolarHBondContact OD1-NZ 3.49Å; D621-K623 VanDerWaalsContact OD2-CE 3.25Å; D621-K623 WeakPolarHBondContact OD2-CE 3.45Å; D621-K623 IonicContact OD2-NZ 2.73Å; D621-K623 PolarHBondContact OD2-NZ 3.26Å; K623-K625 PolarHBondContact O-N 3.45Å
624	D	30.4	Very low	38.5	Very low	168 Å²	168	133.9 Å²	133.9	90%	0.898	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72	24.3	-178.7	-63.7	-23.5	0	0	0	115
625	K	31.4	Very low	36.1	Very low	177 Å²	177	137.7 Å²	137.7	77%	0.77	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.8	32.8	-178	-65	-173.5	179.5	173.8	0	113.4	K623 E641	K623-K625 PolarHBondContact O-N 3.45Å; K625-E641 IonicContact NZ-OE2 4Å
626	E	29.1	Very low	34	Very low	155 Å²	155	143.1 Å²	143.1	72%	0.724	69%	0.693	S	S	*	*	S	Bend	trans	-112.8	-13	172.1	-123.7	-177.3	179.5	0	0	116.9
627	E	28.8	Very low	32.3	Very low	200 Å²	200	151.8 Å²	151.8	94%	0.935	73%	0.729	S	S	*	*	S	Bend	trans	-99.2	55.2	171.4	-67.9	-155.8	154	0	0	114.1
628	D	28.8	Very low	30.7	Very low	162 Å²	162	155.6 Å²	155.6	87%	0.866	74%	0.744	S	S	*	*			trans	-161.9	125.9	138.3	-135.8	-24.4	0	0	0	112.1
629	K	30.9	Very low	29.2	Very low	172 Å²	172	161.7 Å²	161.7	75%	0.748	77%	0.769	S	S	*	*			trans	-162.4	82.1	-169.3	-156	-178.2	-152	160.6	0	114.8
630	D	28.9	Very low	28.2	Very low	123 Å²	123	165.8 Å²	165.8	66%	0.658	79%	0.785	S	S	*	*			trans	-148.6	123.2	155.8	-136.1	-7.3	0	0	0	116.9
631	K	26.9	Very low	27.6	Very low	171 Å²	171	166.5 Å²	166.5	74%	0.743	79%	0.79	S	S	*	*			trans	60.3	117.4	155.8	-73.1	147.6	-169.5	129.4	0	122.3
632	K	22.3	Very low	27.5	Very low	174 Å²	174	165 Å²	165	76%	0.757	79%	0.792	S	S	*	*			trans	84.6	128.9	139	-143.6	169.2	-176.5	-65.1	0	115.1
633	E	22.4	Very low	27.4	Very low	160 Å²	160	164.9 Å²	164.9	75%	0.748	79%	0.788	S	S	*	*			cis	-139.7	165.9	10.9	-156.9	129.2	-117.4	0	0	113.4	K635	E633-K635 PolarHBondContact O-N 2.98Å
634	K	28.6	Very low	27.9	Very low	204 Å²	204	161.2 Å²	161.2	89%	0.887	78%	0.783	S	S	*	*			trans	-95.2	87.6	-164.9	179	-163.9	174.7	-177.5	0	112.9
635	K	23.9	Very low	28.4	Very low	198 Å²	198	155.9 Å²	155.9	86%	0.861	76%	0.755	S	S	*	*			trans	-157.2	35.9	164.2	-141.9	-160.9	172.4	-170.8	0	119.2	E633	E633-K635 PolarHBondContact O-N 2.98Å
636	D	22.5	Very low	29	Very low	158 Å²	158	151.4 Å²	151.4	85%	0.845	74%	0.738	S	S	*	*			trans	-145.4	142.2	152.3	-115.1	-40.8	0	0	0	110.9
637	K	24	Very low	30.1	Very low	195 Å²	195	144.3 Å²	144.3	85%	0.848	71%	0.706	S	S	*	*			trans	-155.8	31	-174.5	-156.7	-129.3	168.3	-168.7	0	114.4
638	D	25.3	Very low	31.4	Very low	150 Å²	150	135.3 Å²	135.3	80%	0.802	67%	0.666	S	S	*	*	S	Bend	trans	-126.1	157.3	166	-75.9	-63.8	0	0	0	109
639	K	27.4	Very low	33	Very low	211 Å²	211	129 Å²	129	92%	0.917	63%	0.631	S	S	*	*			trans	57.9	79.6	-166.6	-61.6	-172.6	176.9	-173.8	0	114.7
640	K	24.9	Very low	34.4	Very low	201 Å²	201	121.7 Å²	121.7	87%	0.874	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-94.9	148.1	137.8	-78.8	-164.4	168	-162	0	108.1
641	E	26.8	Very low	36	Very low	162 Å²	162	115.9 Å²	115.9	76%	0.757	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-61.4	146	178.9	-57.8	103.2	160.5	0	0	111.6	K625	K625-E641 IonicContact NZ-OE2 4Å
642	A	30	Very low	37.8	Very low	69 Å²	69	107.8 Å²	107.8	57%	0.57	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-95.9	128.9	-174.3	0	0	0	0	0	111.1	A644	A642-A644 HydrophobicContact CB-CB 4.44Å; A642-A644 PolarHBondContact O-N 2.67Å
643	P	33	Very low	39.8	Very low	117 Å²	117	99.5 Å²	99.5	76%	0.76	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	28.1	175.9	33.7	-37	0	0	0	113
644	A	38.7	Very low	42	Very low	58 Å²	58	91.9 Å²	91.9	48%	0.479	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-37.4	-175.1	0	0	0	0	0	112.6	A642 G647	A642-A644 HydrophobicContact CB-CB 4.44Å; A642-A644 PolarHBondContact O-N 2.67Å; A644-G647 PolarHBondContact O-N 2.88Å
645	D	41.9	Very low	43.9	Very low	57 Å²	57	82.5 Å²	82.5	31%	0.305	42%	0.422	S	S	.	.	H	α-helix	trans	-76.4	-39.5	-168.3	-56.3	-38.9	0	0	0	112.2	P586 G647 A648	P586-D645 HydrophobicContact CG-CB 4.27Å; D645-G647 PolarHBondContact O-N 3.23Å; D645-A648 WeakPolarHBondContact O-CB 3.36Å; D645-A648 PolarHBondContact O-N 2.95Å
646	M	43.1	Very low	45.9	Very low	82 Å²	82	73 Å²	73	40%	0.404	38%	0.381	S	S	.	.	H	α-helix	trans	-64.6	-24.1	171.8	-64.8	-65.5	-84.3	0	0	112.5	P586 A648 H649	P586-M646 HydrophobicContact CB-SD 3.65Å; M646-A648 VanDerWaalsContact C-N 3.28Å; M646-A648 PolarHBondContact O-N 3.37Å; M646-H649 WeakPolarHBondContact O-CB 3.48Å; M646-H649 PolarHBondContact O-N 2.93Å
647	G	53.3	Low	48.1	Very low	7 Å²	7	65.6 Å²	65.6	7%	0.072	34%	0.341	C	S	.	.	H	α-helix	trans	-67.6	-26.9	171.9	0	0	0	0	0	113.8	A644 D645 G651	A644-G647 PolarHBondContact O-N 2.88Å; D645-G647 PolarHBondContact O-N 3.23Å; G647-G651 PolarHBondContact O-N 3.22Å; G647-G651 VanDerWaalsContact O-N 3.11Å
648	A	55.8	Low	50.1	Low	10 Å²	10	56.3 Å²	56.3	8%	0.083	30%	0.3	C	S	.	.	H	α-helix	trans	-72.8	-33.1	176.1	0	0	0	0	0	111.9	F590 D645 M646 G651 V652	F590-A648 HydrophobicContact CD2-CB 3.91Å; F590-A648 HydrophobicContact CE2-CB 3.78Å; D645-A648 WeakPolarHBondContact O-CB 3.36Å; D645-A648 PolarHBondContact O-N 2.95Å; M646-A648 VanDerWaalsContact C-N 3.28Å; M646-A648 PolarHBondContact O-N 3.37Å; A648-G651 PolarHBondContact O-N 3.27Å; A648-V652 PolarHBondContact O-N 3.15Å
649	H	61.8	Low	52	Low	29 Å²	29	49.4 Å²	49.4	13%	0.134	26%	0.263	C	S	.	.	H	α-helix	trans	-59.1	-53.3	173.6	-176.5	-114.2	0	0	0	111.5	S589 T593 I615 M646 G651 V652 A653	S589-H649 WeakPolarHBondContact CB-NE2 3.46Å; S589-H649 PolarHBondContact O-CD2 2.79Å; S589-H649 VanDerWaalsContact O-CD2 3.24Å; S589-H649 PolarHBondContact O-NE2 3.5Å; T593-H649 VanDerWaalsContact CG2-NE2 3.26Å; T593-H649 WeakPolarHBondContact CG2-NE2 3.48Å; T593-H649 PolarHBondContact OG1-CD2 2.98Å; T593-H649 VanDerWaalsContact OG1-CD2 3.28Å; I615-H649 VanDerWaalsContact CG2-CE1 3.4Å; I615-H649 WeakPolarHBondContact CG2-CE1 3.26Å; M646-H649 WeakPolarHBondContact O-CB 3.48Å; M646-H649 PolarHBondContact O-N 2.93Å; H649-G651 VanDerWaalsContact C-N 3.27Å; H649-G651 PolarHBondContact O-N 3.21Å; H649-V652 PolarHBondContact O-N 3.44Å; H649-A653 PolarHBondContact O-N 3.42Å
650	Q	60.2	Low	53.8	Low	19 Å²	19	39.4 Å²	39.4	9%	0.089	22%	0.22	C	C	.	.	H	α-helix	trans	-62.5	-34	175.7	-68.8	-179.9	-17	0	0	112.5	E618 V654 L686	E618-Q650 PolarHBondContact O-NE2 3.26Å; Q650-V654 WeakPolarHBondContact O-CG2 3.33Å; Q650-V654 PolarHBondContact O-N 2.95Å; Q650-V654 VanDerWaalsContact O-N 3.09Å; Q650-L686 HydrophobicContact CB-CD1 3.83Å
651	G	62.7	Low	55.7	Low	1 Å²	1	30.2 Å²	30.2	1%	0.01	18%	0.181	C	C	.	.	H	α-helix	trans	-65.8	-40.5	174.6	0	0	0	0	0	113.7	G647 A648 H649 L655	G647-G651 PolarHBondContact O-N 3.22Å; G647-G651 VanDerWaalsContact O-N 3.11Å; A648-G651 PolarHBondContact O-N 3.27Å; H649-G651 VanDerWaalsContact C-N 3.27Å; H649-G651 PolarHBondContact O-N 3.21Å; G651-L655 PolarHBondContact O-N 3.31Å; G651-L655 VanDerWaalsContact O-N 3.14Å
652	V	64.4	Low	57.3	Low	2 Å²	2	23 Å²	23	1%	0.012	15%	0.148	C	C	.	.	H	α-helix	trans	-68.8	-42.5	173.2	163.7	0	0	0	0	111.4	F590 L594 A648 H649 V654 L655 G656 L804	F590-V652 HydrophobicContact CD2-CG2 4.11Å; F590-V652 HydrophobicContact CE2-CB 4.35Å; F590-V652 HydrophobicContact CE2-CG2 3.37Å; F590-V652 HydrophobicContact CZ-CG2 3.72Å; L594-V652 HydrophobicContact CB-CG1 4.02Å; L594-V652 HydrophobicContact CD1-CG1 3.88Å; A648-V652 PolarHBondContact O-N 3.15Å; H649-V652 PolarHBondContact O-N 3.44Å; V652-V654 VanDerWaalsContact C-N 3.26Å; V652-V654 PolarHBondContact O-N 2.89Å; V652-L655 CarbonylContact O-C 3.6Å; V652-L655 PolarHBondContact O-N 3.15Å; V652-L655 VanDerWaalsContact O-N 3.1Å; V652-G656 PolarHBondContact O-N 3.16Å; V652-L804 HydrophobicContact CG2-CD1 3.82Å
653	A	64.3	Low	58.6	Low	0 Å²	0	20.7 Å²	20.7	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-58.6	-37.7	175.7	0	0	0	0	0	112.4	L612 I615 H649 G656 I657	L612-A653 HydrophobicContact CD2-CB 4.05Å; I615-A653 HydrophobicContact CG2-CB 4.35Å; H649-A653 PolarHBondContact O-N 3.42Å; A653-G656 PolarHBondContact O-N 3.11Å; A653-I657 WeakPolarHBondContact O-CD1 3.5Å; A653-I657 WeakPolarHBondContact O-CG1 3.39Å; A653-I657 PolarHBondContact O-N 3.14Å
654	V	69.8	Low	60	Low	0 Å²	0	17.2 Å²	17.2	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-66.9	-40.6	173	163.5	0	0	0	0	113.1	Q650 V652 G656 A658 F675 L678 L686 A689 V690 A693	Q650-V654 WeakPolarHBondContact O-CG2 3.33Å; Q650-V654 PolarHBondContact O-N 2.95Å; Q650-V654 VanDerWaalsContact O-N 3.09Å; V652-V654 VanDerWaalsContact C-N 3.26Å; V652-V654 PolarHBondContact O-N 2.89Å; V654-G656 VanDerWaalsContact C-N 3.28Å; V654-G656 PolarHBondContact O-N 3.26Å; V654-A658 PolarHBondContact O-N 3.09Å; V654-F675 HydrophobicContact CG1-CE1 4.12Å; V654-F675 HydrophobicContact CG1-CZ 4.37Å; V654-F675 WeakPolarHBondContact O-CZ 3.34Å; V654-L678 HydrophobicContact CG2-CD2 3.71Å; V654-L686 HydrophobicContact CG2-CD1 3.48Å; V654-L686 VanDerWaalsContact CG2-CD1 3.48Å; V654-L686 HydrophobicContact CG2-CG 4.04Å; V654-A689 HydrophobicContact CB-CB 4.28Å; V654-A689 HydrophobicContact CG1-CB 4.06Å; V654-V690 HydrophobicContact CG1-CB 4.36Å; V654-V690 HydrophobicContact CG1-CG2 3.7Å; V654-V690 HydrophobicContact CG2-CG2 4.44Å; V654-A693 HydrophobicContact CG1-CB 3.71Å
655	L	68.8	Low	61.1	Low	6 Å²	6	19.1 Å²	19.1	3%	0.031	10%	0.104	C	C	.	.	H	α-helix	trans	-65.5	-32.9	171.5	-73	171.2	0	0	0	111.7	G651 V652 A658 L659 L692 A693 L800 L804	G651-L655 PolarHBondContact O-N 3.31Å; G651-L655 VanDerWaalsContact O-N 3.14Å; V652-L655 CarbonylContact O-C 3.6Å; V652-L655 PolarHBondContact O-N 3.15Å; V652-L655 VanDerWaalsContact O-N 3.1Å; L655-A658 WeakPolarHBondContact O-CB 3.36Å; L655-A658 PolarHBondContact O-N 3.45Å; L655-L659 PolarHBondContact O-N 2.93Å; L655-L692 HydrophobicContact CD2-CB 3.91Å; L655-A693 HydrophobicContact CD2-CB 4.26Å; L655-L800 HydrophobicContact CD2-CD2 4.39Å; L655-L804 HydrophobicContact CD1-CD1 3.97Å; L655-L804 HydrophobicContact CD1-CD2 4.21Å; L655-L804 HydrophobicContact CD1-CG 4.15Å
656	G	65	Low	62.3	Low	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-70.5	-41.1	177.7	0	0	0	0	0	114.1	V652 A653 V654 A658 L659 I660	V652-G656 PolarHBondContact O-N 3.16Å; A653-G656 PolarHBondContact O-N 3.11Å; V654-G656 VanDerWaalsContact C-N 3.28Å; V654-G656 PolarHBondContact O-N 3.26Å; G656-A658 PolarHBondContact O-N 3.01Å; G656-L659 PolarHBondContact O-N 3.39Å; G656-L659 VanDerWaalsContact O-N 3.1Å; G656-I660 WeakPolarHBondContact O-CG1 3.4Å; G656-I660 PolarHBondContact O-N 3.29Å
657	I	69.1	Low	63.3	Low	2 Å²	2	17.7 Å²	17.7	1%	0.01	10%	0.1	C	C	.	.	H	α-helix	trans	-57.1	-34.9	169.5	-67.9	157	0	0	0	110.5	V609 L612 L613 A653 A661 A671 F675	V609-I657 HydrophobicContact CG1-CG2 4.34Å; L612-I657 HydrophobicContact CB-CD1 4.11Å; L612-I657 HydrophobicContact CB-CG1 3.84Å; L612-I657 HydrophobicContact CD1-CG1 4.32Å; L613-I657 HydrophobicContact CD2-CD1 3.59Å; L613-I657 HydrophobicContact CG-CD1 3.88Å; A653-I657 WeakPolarHBondContact O-CD1 3.5Å; A653-I657 WeakPolarHBondContact O-CG1 3.39Å; A653-I657 PolarHBondContact O-N 3.14Å; I657-A661 WeakPolarHBondContact O-CB 3.36Å; I657-A661 PolarHBondContact O-N 3.27Å; I657-A671 HydrophobicContact CG2-CB 4.26Å; I657-F675 HydrophobicContact CB-CE1 3.94Å; I657-F675 HydrophobicContact CB-CZ 4.11Å; I657-F675 HydrophobicContact CG2-CE1 3.58Å; I657-F675 HydrophobicContact CG2-CZ 3.82Å
658	A	66.8	Low	63.9	Low	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-70.5	-46.7	171.9	0	0	0	0	0	113.1	V654 L655 G656 I660 A661 M662 F675 A693 L696 I697	V654-A658 PolarHBondContact O-N 3.09Å; L655-A658 WeakPolarHBondContact O-CB 3.36Å; L655-A658 PolarHBondContact O-N 3.45Å; G656-A658 PolarHBondContact O-N 3.01Å; A658-I660 PolarHBondContact O-N 2.97Å; A658-A661 CarbonylContact O-C 3.6Å; A658-A661 PolarHBondContact O-N 2.94Å; A658-M662 WeakPolarHBondContact O-CG 3.36Å; A658-M662 PolarHBondContact O-N 3.5Å; A658-F675 HydrophobicContact CB-CE2 4.21Å; A658-F675 HydrophobicContact CB-CZ 4.09Å; A658-A693 HydrophobicContact CB-CB 3.78Å; A658-A693 WeakPolarHBondContact CB-O 3.37Å; A658-L696 HydrophobicContact CB-CB 4.28Å; A658-L696 HydrophobicContact CB-CD2 4.02Å; A658-L696 HydrophobicContact CB-CG 4.36Å; A658-I697 HydrophobicContact CB-CD1 4.01Å; A658-I697 HydrophobicContact CB-CG1 3.7Å
659	L	64.3	Low	64.5	Low	4 Å²	4	22.4 Å²	22.4	2%	0.021	12%	0.12	C	C	.	.	H	α-helix	trans	-57.1	-46.9	178.8	-80.9	167.9	0	0	0	113.4	V597 G602 L655 G656 A661 M662 L696 V793 L797	V597-L659 HydrophobicContact CG1-CB 4.42Å; V597-L659 HydrophobicContact CG1-CD1 3.4Å; G602-L659 PolarHBondContact N-O 2.92Å; L655-L659 PolarHBondContact O-N 2.93Å; G656-L659 PolarHBondContact O-N 3.39Å; G656-L659 VanDerWaalsContact O-N 3.1Å; L659-A661 VanDerWaalsContact C-N 3.31Å; L659-M662 HydrophobicContact CD2-SD 4.27Å; L659-M662 PolarHBondContact O-N 3.06Å; L659-L696 HydrophobicContact CD2-CD2 3.91Å; L659-L696 HydrophobicContact CG-CD2 3.82Å; L659-V793 HydrophobicContact CD2-CG1 4.16Å; L659-L797 HydrophobicContact CD1-CD1 4.13Å; L659-L797 HydrophobicContact CD1-CD2 3.93Å; L659-L797 HydrophobicContact CD2-CD1 4.16Å; L659-L797 HydrophobicContact CD2-CD2 4.08Å; L659-L797 HydrophobicContact CD2-CG 4.39Å; L659-L797 HydrophobicContact CG-CD2 4.33Å
660	I	65.9	Low	64.9	Low	2 Å²	2	26.1 Å²	26.1	1%	0.01	14%	0.138	C	C	.	.	H	α-helix	trans	-65.3	-40.4	178	-57.1	162.7	0	0	0	109.4	Y600 K608 V609 L612 G656 A658 M662	Y600-I660 WeakPolarHBondContact O-CG1 3.34Å; K608-I660 HydrophobicContact CB-CD1 4.25Å; V609-I660 HydrophobicContact CG2-CB 4.02Å; V609-I660 HydrophobicContact CG2-CD1 4.06Å; V609-I660 HydrophobicContact CG2-CG2 3.72Å; L612-I660 HydrophobicContact CD1-CD1 3.54Å; G656-I660 WeakPolarHBondContact O-CG1 3.4Å; G656-I660 PolarHBondContact O-N 3.29Å; A658-I660 PolarHBondContact O-N 2.97Å; I660-M662 VanDerWaalsContact C-N 3.31Å; I660-M662 PolarHBondContact O-N 3.44Å
661	A	65	Low	65.2	Low	7 Å²	7	25.5 Å²	25.5	6%	0.058	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	3.3	178.9	0	0	0	0	0	115.5	I657 A658 L659 A668 A671	I657-A661 WeakPolarHBondContact O-CB 3.36Å; I657-A661 PolarHBondContact O-N 3.27Å; A658-A661 CarbonylContact O-C 3.6Å; A658-A661 PolarHBondContact O-N 2.94Å; L659-A661 VanDerWaalsContact C-N 3.31Å; A661-A668 PolarHBondContact O-N 2.92Å; A661-A671 HydrophobicContact CB-CB 3.83Å
662	M	60.6	Low	65.7	Low	10 Å²	10	27.4 Å²	27.4	5%	0.049	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-31.9	177.3	-79.3	-176.3	84.3	0	0	113.2	A658 L659 I660 L696 V699 P780 Y781	A658-M662 WeakPolarHBondContact O-CG 3.36Å; A658-M662 PolarHBondContact O-N 3.5Å; L659-M662 HydrophobicContact CD2-SD 4.27Å; L659-M662 PolarHBondContact O-N 3.06Å; I660-M662 VanDerWaalsContact C-N 3.31Å; I660-M662 PolarHBondContact O-N 3.44Å; M662-L696 HydrophobicContact CE-CD1 3.81Å; M662-L696 HydrophobicContact CE-CG 4.38Å; M662-L696 WeakPolarHBondContact CE-O 3.27Å; M662-L696 HydrophobicContact CG-CG 4.22Å; M662-L696 HydrophobicContact SD-CD1 3.4Å; M662-L696 WeakPolarHBondContact SD-CD1 3.11Å; M662-L696 HydrophobicContact SD-CD2 4.31Å; M662-L696 HydrophobicContact SD-CG 3.59Å; M662-L696 VanDerWaalsContact SD-CG 3.59Å; M662-V699 HydrophobicContact CE-CG1 4.19Å; M662-P780 HydrophobicContact CE-CG 4.08Å; M662-Y781 HydrophobicContact CB-CE2 3.75Å; M662-Y781 WeakPolarHBondContact CB-OH 3.46Å; M662-Y781 HydrophobicContact CE-CD2 4.13Å; M662-Y781 HydrophobicContact CE-CE2 3.7Å; M662-Y781 HydrophobicContact SD-CE2 4.26Å
663	G	56.2	Low	66.1	Low	21 Å²	21	35.2 Å²	35.2	22%	0.216	18%	0.175	C	C	.	.	S	Bend	trans	-69.5	-37.6	-176.4	0	0	0	0	0	112.9	Y781	G663-Y781 PolarHBondContact N-OH 2.7Å
664	E	63	Low	66.4	Low	45 Å²	45	36.9 Å²	36.9	21%	0.21	19%	0.185	C	C	.	.			trans	-102.8	140.5	-176.2	-69.4	179.6	-147.5	0	0	114.2	G604 I666 G667 A668	G604-E664 VanDerWaalsContact CA-OE1 3.27Å; G604-E664 WeakPolarHBondContact CA-OE1 3.49Å; E664-I666 VanDerWaalsContact C-N 3.34Å; E664-G667 PolarHBondContact OE2-N 2.68Å; E664-G667 VanDerWaalsContact OE2-N 3.09Å; E664-A668 WeakPolarHBondContact O-CB 3.37Å; E664-A668 PolarHBondContact O-N 2.91Å
665	E	61.3	Low	66.5	Low	98 Å²	98	36.9 Å²	36.9	46%	0.458	19%	0.185	S	C	.	.	H	α-helix	trans	-66.2	-36.1	164.6	-67.1	-113.5	103.7	0	0	112.3	E669 R703 R785	E665-E669 PolarHBondContact O-N 3.44Å; E665-E669 VanDerWaalsContact O-N 3.12Å; E665-R703 IonicContact OE1-CZ 2.88Å; E665-R703 IonicContact OE1-NH2 3.17Å; E665-R703 PolarHBondContact OE1-NH2 3.3Å; E665-R703 IonicContact OE2-NH2 2.67Å; E665-R785 IonicContact OE1-CZ 3.68Å; E665-R785 IonicContact OE1-NH1 3.24Å; E665-R785 PolarHBondContact OE1-NH1 3.25Å; E665-R785 IonicContact OE1-NH2 2.81Å
666	I	67.9	Low	66.6	Low	91 Å²	91	37.8 Å²	37.8	47%	0.467	20%	0.197	S	C	.	.	H	α-helix	trans	-73.1	-52.9	-178.6	-58.6	176	0	0	0	110	E664 A668 E669 M670	E664-I666 VanDerWaalsContact C-N 3.34Å; I666-A668 VanDerWaalsContact C-N 3.29Å; I666-A668 PolarHBondContact O-N 2.92Å; I666-E669 PolarHBondContact O-N 2.97Å; I666-M670 HydrophobicContact CG2-CE 3.79Å; I666-M670 HydrophobicContact CG2-CG 4.47Å; I666-M670 WeakPolarHBondContact O-CG 3.37Å; I666-M670 PolarHBondContact O-N 3.26Å
667	G	63.9	Low	66.9	Low	17 Å²	17	42.9 Å²	42.9	18%	0.175	22%	0.22	C	C	.	.	H	α-helix	trans	-49.5	-47.3	169.8	0	0	0	0	0	112.8	E664 E669 M670 A671	E664-G667 PolarHBondContact OE2-N 2.68Å; E664-G667 VanDerWaalsContact OE2-N 3.09Å; G667-E669 PolarHBondContact O-N 3.08Å; G667-M670 PolarHBondContact O-N 2.95Å; G667-A671 WeakPolarHBondContact O-CB 3.32Å; G667-A671 PolarHBondContact O-N 3.03Å
668	A	65.3	Low	66.8	Low	3 Å²	3	44 Å²	44	3%	0.025	23%	0.226	C	C	.	.	H	α-helix	trans	-56.4	-49.3	175.9	0	0	0	0	0	112.9	A661 E664 I666 A671 L672 I697	A661-A668 PolarHBondContact O-N 2.92Å; E664-A668 WeakPolarHBondContact O-CB 3.37Å; E664-A668 PolarHBondContact O-N 2.91Å; I666-A668 VanDerWaalsContact C-N 3.29Å; I666-A668 PolarHBondContact O-N 2.92Å; A668-A671 PolarHBondContact O-N 3.02Å; A668-L672 WeakPolarHBondContact O-CG 3.44Å; A668-L672 PolarHBondContact O-N 3.34Å; A668-I697 HydrophobicContact CB-CG2 3.73Å
669	E	68.6	Low	66.8	Low	114 Å²	114	45.3 Å²	45.3	53%	0.533	23%	0.233	S	C	.	.	H	α-helix	trans	-70.8	-32.4	-179.3	-68.7	-162.7	178.9	0	0	113.3	E665 I666 G667 R673 R703	E665-E669 PolarHBondContact O-N 3.44Å; E665-E669 VanDerWaalsContact O-N 3.12Å; I666-E669 PolarHBondContact O-N 2.97Å; G667-E669 PolarHBondContact O-N 3.08Å; E669-R673 PolarHBondContact O-N 2.89Å; E669-R703 IonicContact OE1-CZ 2.75Å; E669-R703 IonicContact OE1-NH1 3.66Å; E669-R703 PolarHBondContact OE1-NH1 3.46Å; E669-R703 IonicContact OE1-NH2 2.88Å
670	M	69.4	Low	67.1	Low	107 Å²	107	54.1 Å²	54.1	53%	0.527	27%	0.266	S	S	.	.	H	α-helix	trans	-65	-41.8	169.9	-63.5	-135.7	-160.8	0	0	111.7	I666 G667 R673 T674	I666-M670 HydrophobicContact CG2-CE 3.79Å; I666-M670 HydrophobicContact CG2-CG 4.47Å; I666-M670 WeakPolarHBondContact O-CG 3.37Å; I666-M670 PolarHBondContact O-N 3.26Å; G667-M670 PolarHBondContact O-N 2.95Å; M670-R673 PolarHBondContact O-N 3.27Å; M670-T674 WeakPolarHBondContact O-CB 3.3Å; M670-T674 PolarHBondContact O-N 3.38Å; M670-T674 PolarHBondContact O-OG1 3.06Å
671	A	68	Low	67.1	Low	6 Å²	6	62.3 Å²	62.3	5%	0.05	30%	0.298	C	S	.	.	H	α-helix	trans	-64.3	-43.5	175.7	0	0	0	0	0	111.6	I657 A661 G667 A668 R673 T674 F675 I697	I657-A671 HydrophobicContact CG2-CB 4.26Å; A661-A671 HydrophobicContact CB-CB 3.83Å; G667-A671 WeakPolarHBondContact O-CB 3.32Å; G667-A671 PolarHBondContact O-N 3.03Å; A668-A671 PolarHBondContact O-N 3.02Å; A671-R673 VanDerWaalsContact C-N 3.32Å; A671-R673 PolarHBondContact O-N 2.83Å; A671-T674 PolarHBondContact O-N 3.27Å; A671-T674 VanDerWaalsContact O-N 3.15Å; A671-F675 WeakPolarHBondContact O-CB 3.45Å; A671-F675 VanDerWaalsContact O-CG 3.27Å; A671-F675 WeakPolarHBondContact O-CG 3.44Å; A671-F675 PolarHBondContact O-N 2.96Å; A671-I697 HydrophobicContact CB-CD1 3.7Å
672	L	71.8	Confident	66.8	Low	41 Å²	41	62.3 Å²	62.3	22%	0.215	30%	0.298	C	S	.	.	H	α-helix	trans	-55.1	-44.6	174.1	-71.4	-179.8	0	0	0	112.3	A668 G676 L694 I697 I706	A668-L672 WeakPolarHBondContact O-CG 3.44Å; A668-L672 PolarHBondContact O-N 3.34Å; L672-G676 PolarHBondContact O-N 2.94Å; L672-G676 VanDerWaalsContact O-N 3.13Å; L672-L694 HydrophobicContact CD2-CD2 3.36Å; L672-I697 HydrophobicContact CD2-CG2 4.47Å; L672-I706 HydrophobicContact CD1-CD1 4.08Å; L672-I706 HydrophobicContact CD1-CG1 4.25Å; L672-I706 HydrophobicContact CD2-CD1 3.88Å; L672-I706 HydrophobicContact CD2-CG1 4.06Å
673	R	73.3	Confident	67.1	Low	166 Å²	166	65.3 Å²	65.3	63%	0.626	31%	0.312	S	S	*	.	H	α-helix	trans	-64.2	-45.6	176.7	-175.2	-178.7	67.2	176.2	-2	111.4	E669 M670 A671 G676 H677	E669-R673 PolarHBondContact O-N 2.89Å; M670-R673 PolarHBondContact O-N 3.27Å; A671-R673 VanDerWaalsContact C-N 3.32Å; A671-R673 PolarHBondContact O-N 2.83Å; R673-G676 WeakPolarHBondContact O-CA 3.34Å; R673-G676 PolarHBondContact O-N 3.39Å; R673-G676 VanDerWaalsContact O-N 3.14Å; R673-H677 PolarHBondContact O-CD2 3.28Å; R673-H677 PolarHBondContact O-N 2.93Å
674	T	71.8	Confident	67.6	Low	34 Å²	34	67.4 Å²	67.4	21%	0.209	32%	0.322	C	S	.	.	H	α-helix	trans	-68.4	-41.9	-176.8	-57.8	0	0	0	0	111.8	L613 M670 A671 G676 H677 L678	L613-T674 HydrophobicContact CD1-CG2 3.97Å; L613-T674 HydrophobicContact CD2-CG2 3.4Å; L613-T674 VanDerWaalsContact CD2-CG2 3.4Å; L613-T674 HydrophobicContact CG-CG2 4.36Å; M670-T674 WeakPolarHBondContact O-CB 3.3Å; M670-T674 PolarHBondContact O-N 3.38Å; M670-T674 PolarHBondContact O-OG1 3.06Å; A671-T674 PolarHBondContact O-N 3.27Å; A671-T674 VanDerWaalsContact O-N 3.15Å; T674-G676 PolarHBondContact O-N 3.41Å; T674-H677 WeakPolarHBondContact O-CA 3.36Å; T674-H677 WeakPolarHBondContact O-CB 3.44Å; T674-H677 PolarHBondContact O-N 3.21Å; T674-L678 HydrophobicContact CG2-CD1 3.91Å; T674-L678 VanDerWaalsContact O-CD1 3.31Å; T674-L678 WeakPolarHBondContact O-CD1 3.4Å; T674-L678 PolarHBondContact O-N 3.24Å
675	F	71.4	Confident	67.7	Low	0 Å²	0	66.9 Å²	66.9	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-57.1	-37.4	168.6	-72.1	-10.7	0	0	0	112.3	V654 I657 A658 A671 H677 L678 L679 V690 A693 L694 I697	V654-F675 HydrophobicContact CG1-CE1 4.12Å; V654-F675 HydrophobicContact CG1-CZ 4.37Å; V654-F675 WeakPolarHBondContact O-CZ 3.34Å; I657-F675 HydrophobicContact CB-CE1 3.94Å; I657-F675 HydrophobicContact CB-CZ 4.11Å; I657-F675 HydrophobicContact CG2-CE1 3.58Å; I657-F675 HydrophobicContact CG2-CZ 3.82Å; A658-F675 HydrophobicContact CB-CE2 4.21Å; A658-F675 HydrophobicContact CB-CZ 4.09Å; A671-F675 WeakPolarHBondContact O-CB 3.45Å; A671-F675 VanDerWaalsContact O-CG 3.27Å; A671-F675 WeakPolarHBondContact O-CG 3.44Å; A671-F675 PolarHBondContact O-N 2.96Å; F675-H677 PolarHBondContact O-N 2.83Å; F675-L678 HydrophobicContact CD1-CD2 4.48Å; F675-L678 PolarHBondContact O-N 3Å; F675-L679 WeakPolarHBondContact O-CB 3.48Å; F675-L679 WeakPolarHBondContact O-CD1 3.41Å; F675-L679 WeakPolarHBondContact O-CG 3.5Å; F675-L679 PolarHBondContact O-N 3.34Å; F675-V690 HydrophobicContact CB-CG1 3.73Å; F675-V690 HydrophobicContact CD2-CG1 4.26Å; F675-V690 HydrophobicContact CG-CG1 4Å; F675-A693 HydrophobicContact CD2-CB 4.39Å; F675-A693 HydrophobicContact CE2-CB 3.54Å; F675-A693 HydrophobicContact CZ-CB 3.65Å; F675-L694 HydrophobicContact CD2-CD2 3.95Å; F675-L694 HydrophobicContact CD2-CG 4.32Å; F675-I697 HydrophobicContact CD2-CD1 4.21Å; F675-I697 HydrophobicContact CE2-CD1 3.53Å; F675-I697 HydrophobicContact CZ-CD1 4.32Å
676	G	70.8	Confident	68	Low	26 Å²	26	62.4 Å²	62.4	27%	0.268	30%	0.301	S	S	.	.	H	α-helix	trans	-61.9	-18.7	171.1	0	0	0	0	0	115.3	L672 R673 T674 R680	L672-G676 PolarHBondContact O-N 2.94Å; L672-G676 VanDerWaalsContact O-N 3.13Å; R673-G676 WeakPolarHBondContact O-CA 3.34Å; R673-G676 PolarHBondContact O-N 3.39Å; R673-G676 VanDerWaalsContact O-N 3.14Å; T674-G676 PolarHBondContact O-N 3.41Å; G676-R680 WeakPolarHBondContact O-CD 3.33Å; G676-R680 WeakPolarHBondContact O-CG 3.48Å; G676-R680 PolarHBondContact O-NE 3.16Å
677	H	71.1	Confident	68	Low	107 Å²	107	62.5 Å²	62.5	50%	0.495	30%	0.296	S	S	.	.	H	α-helix	trans	-90.4	-46.7	170.7	-73	-142.2	0	0	0	111.2	R673 T674 F675 L679 R680 Y681	R673-H677 PolarHBondContact O-CD2 3.28Å; R673-H677 PolarHBondContact O-N 2.93Å; T674-H677 WeakPolarHBondContact O-CA 3.36Å; T674-H677 WeakPolarHBondContact O-CB 3.44Å; T674-H677 PolarHBondContact O-N 3.21Å; F675-H677 PolarHBondContact O-N 2.83Å; H677-L679 PolarHBondContact O-N 3.29Å; H677-R680 PolarHBondContact O-N 3.41Å; H677-Y681 WeakPolarHBondContact O-CD2 3.21Å; H677-Y681 PolarHBondContact O-N 2.8Å
678	L	67.3	Low	68.3	Low	24 Å²	24	64.7 Å²	64.7	13%	0.126	30%	0.299	C	S	.	.	H	α-helix	trans	-55.7	-38.5	175.8	-88.4	66.2	0	0	0	111.9	L613 C616 V654 T674 F675 R680 G682 L686 V690	L613-L678 HydrophobicContact CD2-CD1 4.17Å; C616-L678 HydrophobicContact CB-CD2 4.05Å; V654-L678 HydrophobicContact CG2-CD2 3.71Å; T674-L678 HydrophobicContact CG2-CD1 3.91Å; T674-L678 VanDerWaalsContact O-CD1 3.31Å; T674-L678 WeakPolarHBondContact O-CD1 3.4Å; T674-L678 PolarHBondContact O-N 3.24Å; F675-L678 HydrophobicContact CD1-CD2 4.48Å; F675-L678 PolarHBondContact O-N 3Å; L678-R680 PolarHBondContact O-N 3.24Å; L678-G682 VanDerWaalsContact O-CA 3.28Å; L678-G682 WeakPolarHBondContact O-CA 3.36Å; L678-G682 PolarHBondContact O-N 3.46Å; L678-L686 HydrophobicContact CB-CD2 3.73Å; L678-L686 HydrophobicContact CD2-CD2 3.95Å; L678-L686 HydrophobicContact CD2-CG 4.43Å; L678-L686 HydrophobicContact CG-CD2 3.76Å; L678-V690 HydrophobicContact CB-CG2 4.44Å
679	L	66.9	Low	68.5	Low	28 Å²	28	64.5 Å²	64.5	15%	0.147	30%	0.297	C	S	.	.	H	α-helix	trans	-62.5	-24.6	174.7	-80.6	160	0	0	0	114.7	F675 H677 V690 F713	F675-L679 WeakPolarHBondContact O-CB 3.48Å; F675-L679 WeakPolarHBondContact O-CD1 3.41Å; F675-L679 WeakPolarHBondContact O-CG 3.5Å; F675-L679 PolarHBondContact O-N 3.34Å; H677-L679 PolarHBondContact O-N 3.29Å; L679-V690 HydrophobicContact CD1-CB 4.41Å; L679-V690 HydrophobicContact CD1-CG1 3.55Å; L679-V690 HydrophobicContact CD2-CB 3.96Å; L679-V690 HydrophobicContact CD2-CG1 4.02Å; L679-V690 HydrophobicContact CG-CB 4Å; L679-V690 HydrophobicContact CG-CG1 3.65Å; L679-V690 HydrophobicContact CG-CG2 4.29Å; L679-F713 HydrophobicContact CD1-CE1 4.45Å; L679-F713 HydrophobicContact CD1-CE2 3.68Å; L679-F713 HydrophobicContact CD1-CZ 3.58Å; L679-F713 HydrophobicContact CD2-CE1 4.33Å; L679-F713 HydrophobicContact CD2-CE2 4.35Å; L679-F713 HydrophobicContact CD2-CZ 4.18Å; L679-F713 HydrophobicContact CG-CZ 4.37Å
680	R	69.8	Low	68.6	Low	189 Å²	189	59.1 Å²	59.1	71%	0.713	27%	0.272	S	S	*	.	H	α-helix	trans	-90.8	-34.9	-177.5	-66.7	177.3	-174.4	-165.5	1.4	113.2	G676 H677 L678	G676-R680 WeakPolarHBondContact O-CD 3.33Å; G676-R680 WeakPolarHBondContact O-CG 3.48Å; G676-R680 PolarHBondContact O-NE 3.16Å; H677-R680 PolarHBondContact O-N 3.41Å; L678-R680 PolarHBondContact O-N 3.24Å
681	Y	64.9	Low	68.7	Low	174 Å²	174	54 Å²	54	68%	0.682	25%	0.247	S	C	*	.	H	α-helix	trans	-112	-18.7	-172.3	-62.9	-76.2	0	0	0	113.6	H677	H677-Y681 WeakPolarHBondContact O-CD2 3.21Å; H677-Y681 PolarHBondContact O-N 2.8Å
682	G	60.5	Low	68.8	Low	7 Å²	7	53.7 Å²	53.7	7%	0.072	25%	0.245	C	C	.	.	S	Bend	trans	-74.4	163.8	-175.9	0	0	0	0	0	115.5	L678 R687	L678-G682 VanDerWaalsContact O-CA 3.28Å; L678-G682 WeakPolarHBondContact O-CA 3.36Å; L678-G682 PolarHBondContact O-N 3.46Å; G682-R687 VanDerWaalsContact O-CZ 3.28Å; G682-R687 PolarHBondContact O-NE 3.4Å; G682-R687 PolarHBondContact O-NH2 3.18Å
683	E	65.8	Low	68.7	Low	73 Å²	73	51.8 Å²	51.8	34%	0.341	23%	0.234	S	C	.	.			trans	-69.4	164.1	176.6	-66.5	-164.9	-171.6	0	0	113	T685 L686 R687	E683-T685 WeakPolarHBondContact CB-OG1 3.4Å; E683-T685 PolarHBondContact O-N 2.89Å; E683-L686 WeakPolarHBondContact O-CB 3.42Å; E683-L686 PolarHBondContact O-N 3.13Å; E683-L686 VanDerWaalsContact O-N 3.09Å; E683-R687 WeakPolarHBondContact O-CG 3.22Å; E683-R687 PolarHBondContact O-N 3.03Å
684	P	67.4	Low	68.6	Low	66 Å²	66	44.2 Å²	44.2	43%	0.429	21%	0.206	S	C	.	.	H	α-helix	trans	-56.7	-32.8	178.5	-25.9	36	0	0	0	113.7	R687 R688	P684-R687 PolarHBondContact O-N 3.27Å; P684-R688 WeakPolarHBondContact O-CD 3.45Å; P684-R688 VanDerWaalsContact O-CG 3.25Å; P684-R688 WeakPolarHBondContact O-CG 3.17Å; P684-R688 PolarHBondContact O-N 2.89Å
685	T	65.1	Low	68.4	Low	34 Å²	34	42.6 Å²	42.6	21%	0.209	20%	0.196	C	C	.	.	H	α-helix	trans	-59.1	-51.4	172.6	43.9	0	0	0	0	111.6	E683 R687 R688 A689	E683-T685 WeakPolarHBondContact CB-OG1 3.4Å; E683-T685 PolarHBondContact O-N 2.89Å; T685-R687 VanDerWaalsContact C-N 3.33Å; T685-R687 PolarHBondContact O-N 3.41Å; T685-R688 PolarHBondContact O-N 3.48Å; T685-R688 VanDerWaalsContact O-N 3.17Å; T685-A689 PolarHBondContact O-N 2.91Å
686	L	67.3	Low	68.2	Low	4 Å²	4	42.7 Å²	42.7	2%	0.021	20%	0.197	C	C	.	.	H	α-helix	trans	-59	-43.5	175.1	-150.9	77.5	0	0	0	111.5	Q650 V654 L678 E683 R688 A689 V690	Q650-L686 HydrophobicContact CB-CD1 3.83Å; V654-L686 HydrophobicContact CG2-CD1 3.48Å; V654-L686 VanDerWaalsContact CG2-CD1 3.48Å; V654-L686 HydrophobicContact CG2-CG 4.04Å; L678-L686 HydrophobicContact CB-CD2 3.73Å; L678-L686 HydrophobicContact CD2-CD2 3.95Å; L678-L686 HydrophobicContact CD2-CG 4.43Å; L678-L686 HydrophobicContact CG-CD2 3.76Å; E683-L686 WeakPolarHBondContact O-CB 3.42Å; E683-L686 PolarHBondContact O-N 3.13Å; E683-L686 VanDerWaalsContact O-N 3.09Å; L686-R688 VanDerWaalsContact C-N 3.27Å; L686-R688 PolarHBondContact O-N 3.17Å; L686-A689 PolarHBondContact O-N 3.43Å; L686-A689 VanDerWaalsContact O-N 3.11Å; L686-V690 WeakPolarHBondContact O-CG2 3.07Å; L686-V690 PolarHBondContact O-N 2.99Å
687	R	67.9	Low	68.1	Low	92 Å²	92	41.9 Å²	41.9	35%	0.347	19%	0.186	S	C	.	.	H	α-helix	trans	-65.6	-25.2	178.3	-64.5	177.5	-140.4	172.5	3.2	113.8	G682 E683 P684 T685 P691 V721	G682-R687 VanDerWaalsContact O-CZ 3.28Å; G682-R687 PolarHBondContact O-NE 3.4Å; G682-R687 PolarHBondContact O-NH2 3.18Å; E683-R687 WeakPolarHBondContact O-CG 3.22Å; E683-R687 PolarHBondContact O-N 3.03Å; P684-R687 PolarHBondContact O-N 3.27Å; T685-R687 VanDerWaalsContact C-N 3.33Å; T685-R687 PolarHBondContact O-N 3.41Å; R687-P691 WeakPolarHBondContact O-CD 3.45Å; R687-V721 HydrophobicContact CB-CG2 4.16Å
688	R	70.8	Confident	67.7	Low	63 Å²	63	37 Å²	37	24%	0.238	16%	0.164	C	C	.	.	H	α-helix	trans	-77.8	-28.9	172.8	-68	162.1	-169.5	-167.2	0.1	112.4	P684 T685 L686 D718 E720 V721 N724	P684-R688 WeakPolarHBondContact O-CD 3.45Å; P684-R688 VanDerWaalsContact O-CG 3.25Å; P684-R688 WeakPolarHBondContact O-CG 3.17Å; P684-R688 PolarHBondContact O-N 2.89Å; T685-R688 PolarHBondContact O-N 3.48Å; T685-R688 VanDerWaalsContact O-N 3.17Å; L686-R688 VanDerWaalsContact C-N 3.27Å; L686-R688 PolarHBondContact O-N 3.17Å; R688-D718 IonicContact CZ-OD2 2.69Å; R688-D718 VanDerWaalsContact CZ-OD2 3.23Å; R688-D718 IonicContact NE-OD2 2.64Å; R688-D718 PolarHBondContact NE-OD2 3.29Å; R688-D718 IonicContact NH2-OD1 3.41Å; R688-D718 IonicContact NH2-OD2 2.94Å; R688-D718 PolarHBondContact NH2-OD2 3.31Å; R688-E720 HydrophobicContact CG-CB 3.96Å; R688-E720 IonicContact CZ-OE1 3.64Å; R688-E720 IonicContact CZ-OE2 3.25Å; R688-E720 VanDerWaalsContact CZ-OE2 3.32Å; R688-E720 IonicContact NE-OE2 3.23Å; R688-E720 IonicContact NH1-OE1 3.67Å; R688-E720 PolarHBondContact NH1-OE1 3.23Å; R688-E720 IonicContact NH1-OE2 2.93Å; R688-E720 PolarHBondContact NH1-OE2 2.89Å; R688-E720 IonicContact NH2-OE1 2.8Å; R688-E720 PolarHBondContact NH2-OE1 3.17Å; R688-V721 HydrophobicContact CG-CG2 3.67Å; R688-N724 PolarHBondContact O-ND2 3.44Å
689	A	67.7	Low	67.7	Low	0 Å²	0	36.3 Å²	36.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-83.3	-40.1	-179.8	0	0	0	0	0	113.4	V654 T685 L686 L692 A693 L804	V654-A689 HydrophobicContact CB-CB 4.28Å; V654-A689 HydrophobicContact CG1-CB 4.06Å; T685-A689 PolarHBondContact O-N 2.91Å; L686-A689 PolarHBondContact O-N 3.43Å; L686-A689 VanDerWaalsContact O-N 3.11Å; A689-L692 WeakPolarHBondContact O-CB 3.31Å; A689-L692 PolarHBondContact O-N 3.13Å; A689-A693 PolarHBondContact O-N 2.93Å; A689-A693 VanDerWaalsContact O-N 3.11Å; A689-L804 HydrophobicContact CB-CD2 4.22Å
690	V	71.4	Confident	67.3	Low	0 Å²	0	35 Å²	35	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-56.6	-40.7	-175.9	175.4	0	0	0	0	114.1	V654 F675 L678 L679 L686 L692 A693 L694	V654-V690 HydrophobicContact CG1-CB 4.36Å; V654-V690 HydrophobicContact CG1-CG2 3.7Å; V654-V690 HydrophobicContact CG2-CG2 4.44Å; F675-V690 HydrophobicContact CB-CG1 3.73Å; F675-V690 HydrophobicContact CD2-CG1 4.26Å; F675-V690 HydrophobicContact CG-CG1 4Å; L678-V690 HydrophobicContact CB-CG2 4.44Å; L679-V690 HydrophobicContact CD1-CB 4.41Å; L679-V690 HydrophobicContact CD1-CG1 3.55Å; L679-V690 HydrophobicContact CD2-CB 3.96Å; L679-V690 HydrophobicContact CD2-CG1 4.02Å; L679-V690 HydrophobicContact CG-CB 4Å; L679-V690 HydrophobicContact CG-CG1 3.65Å; L679-V690 HydrophobicContact CG-CG2 4.29Å; L686-V690 WeakPolarHBondContact O-CG2 3.07Å; L686-V690 PolarHBondContact O-N 2.99Å; V690-L692 PolarHBondContact O-N 3.45Å; V690-A693 PolarHBondContact O-N 3.38Å; V690-A693 VanDerWaalsContact O-N 3.16Å; V690-L694 HydrophobicContact CG1-CD1 4.05Å; V690-L694 HydrophobicContact CG1-CG 4.05Å; V690-L694 WeakPolarHBondContact O-CG 3.27Å; V690-L694 PolarHBondContact O-N 2.89Å
691	P	72.6	Confident	67.1	Low	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-58.3	-34.6	175.5	-26	35.1	0	0	0	113.7	R687 A695 L710 N724 S725 A728	R687-P691 WeakPolarHBondContact O-CD 3.45Å; P691-A695 PolarHBondContact O-N 3.41Å; P691-A695 VanDerWaalsContact O-N 3.1Å; P691-L710 HydrophobicContact CB-CD2 3.9Å; P691-N724 HydrophobicContact CB-CB 4.49Å; P691-S725 WeakPolarHBondContact CG-OG 3.32Å; P691-A728 HydrophobicContact CB-CB 4.38Å; P691-A728 WeakPolarHBondContact O-CB 3.5Å
692	L	69.9	Low	67	Low	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-71.5	-41	176.4	-55.5	175.6	0	0	0	111.3	L655 A689 V690 A695 L696 N724 L800 F803	L655-L692 HydrophobicContact CD2-CB 3.91Å; A689-L692 WeakPolarHBondContact O-CB 3.31Å; A689-L692 PolarHBondContact O-N 3.13Å; V690-L692 PolarHBondContact O-N 3.45Å; L692-A695 WeakPolarHBondContact O-CB 3.44Å; L692-A695 PolarHBondContact O-N 3.04Å; L692-A695 VanDerWaalsContact O-N 3.13Å; L692-L696 PolarHBondContact O-N 3.2Å; L692-N724 HydrophobicContact CD2-CB 3.86Å; L692-N724 HydrophobicContact CG-CB 4.11Å; L692-L800 HydrophobicContact CB-CD2 3.78Å; L692-L800 HydrophobicContact CD2-CD2 4.39Å; L692-F803 HydrophobicContact CD1-CB 3.54Å; L692-F803 HydrophobicContact CD2-CB 3.7Å; L692-F803 HydrophobicContact CD2-CD1 4.28Å; L692-F803 HydrophobicContact CD2-CG 4.11Å; L692-F803 HydrophobicContact CG-CB 4.27Å
693	A	68.9	Low	67.3	Low	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-65.8	-37.3	175.2	0	0	0	0	0	112.4	V654 L655 A658 F675 A689 V690 A695 L696 I697	V654-A693 HydrophobicContact CG1-CB 3.71Å; L655-A693 HydrophobicContact CD2-CB 4.26Å; A658-A693 HydrophobicContact CB-CB 3.78Å; A658-A693 WeakPolarHBondContact CB-O 3.37Å; F675-A693 HydrophobicContact CD2-CB 4.39Å; F675-A693 HydrophobicContact CE2-CB 3.54Å; F675-A693 HydrophobicContact CZ-CB 3.65Å; A689-A693 PolarHBondContact O-N 2.93Å; A689-A693 VanDerWaalsContact O-N 3.11Å; V690-A693 PolarHBondContact O-N 3.38Å; V690-A693 VanDerWaalsContact O-N 3.16Å; A693-A695 VanDerWaalsContact C-N 3.29Å; A693-A695 PolarHBondContact O-N 3.44Å; A693-L696 PolarHBondContact O-N 3.44Å; A693-I697 WeakPolarHBondContact O-CG1 3.39Å; A693-I697 PolarHBondContact O-N 2.95Å; A693-I697 VanDerWaalsContact O-N 3.13Å
694	L	70.3	Confident	67.6	Low	7 Å²	7	23 Å²	23	4%	0.037	11%	0.113	C	C	.	.	H	α-helix	trans	-62.6	-34.7	169.6	-71.4	174.1	0	0	0	112.3	L672 F675 V690 I706 L710 F713	L672-L694 HydrophobicContact CD2-CD2 3.36Å; F675-L694 HydrophobicContact CD2-CD2 3.95Å; F675-L694 HydrophobicContact CD2-CG 4.32Å; V690-L694 HydrophobicContact CG1-CD1 4.05Å; V690-L694 HydrophobicContact CG1-CG 4.05Å; V690-L694 WeakPolarHBondContact O-CG 3.27Å; V690-L694 PolarHBondContact O-N 2.89Å; L694-I706 HydrophobicContact CB-CG2 4.28Å; L694-L710 HydrophobicContact CB-CD2 4.23Å; L694-L710 HydrophobicContact CD1-CD2 3.98Å; L694-F713 HydrophobicContact CD1-CE2 4.5Å
695	A	69.3	Low	68	Low	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-70.2	-38.9	175.5	0	0	0	0	0	112.4	P691 L692 A693 S698 V699 A728 M731 V732	P691-A695 PolarHBondContact O-N 3.41Å; P691-A695 VanDerWaalsContact O-N 3.1Å; L692-A695 WeakPolarHBondContact O-CB 3.44Å; L692-A695 PolarHBondContact O-N 3.04Å; L692-A695 VanDerWaalsContact O-N 3.13Å; A693-A695 VanDerWaalsContact C-N 3.29Å; A693-A695 PolarHBondContact O-N 3.44Å; A695-S698 CarbonylContact O-C 3.59Å; A695-S698 PolarHBondContact O-N 2.91Å; A695-V699 WeakPolarHBondContact O-CA 3.34Å; A695-V699 PolarHBondContact O-N 3.39Å; A695-A728 HydrophobicContact CB-CB 3.71Å; A695-M731 HydrophobicContact CB-CB 4.38Å; A695-M731 HydrophobicContact CB-CE 4Å; A695-V732 HydrophobicContact CB-CG2 4.21Å
696	L	67	Low	68.4	Low	3 Å²	3	24.9 Å²	24.9	2%	0.016	12%	0.118	C	C	.	.	H	α-helix	trans	-66.1	-45.7	179.9	-176.8	57	0	0	0	111.9	A658 L659 M662 L692 A693 S698 L796 L800	A658-L696 HydrophobicContact CB-CB 4.28Å; A658-L696 HydrophobicContact CB-CD2 4.02Å; A658-L696 HydrophobicContact CB-CG 4.36Å; L659-L696 HydrophobicContact CD2-CD2 3.91Å; L659-L696 HydrophobicContact CG-CD2 3.82Å; M662-L696 HydrophobicContact CE-CD1 3.81Å; M662-L696 HydrophobicContact CE-CG 4.38Å; M662-L696 WeakPolarHBondContact CE-O 3.27Å; M662-L696 HydrophobicContact CG-CG 4.22Å; M662-L696 HydrophobicContact SD-CD1 3.4Å; M662-L696 WeakPolarHBondContact SD-CD1 3.11Å; M662-L696 HydrophobicContact SD-CD2 4.31Å; M662-L696 HydrophobicContact SD-CG 3.59Å; M662-L696 VanDerWaalsContact SD-CG 3.59Å; L692-L696 PolarHBondContact O-N 3.2Å; A693-L696 PolarHBondContact O-N 3.44Å; L696-S698 PolarHBondContact O-N 3.04Å; L696-S698 VanDerWaalsContact O-N 3.1Å; L696-L796 HydrophobicContact CD1-CD1 4.19Å; L696-L800 HydrophobicContact CB-CD1 4.12Å; L696-L800 HydrophobicContact CD1-CD1 3.7Å; L696-L800 HydrophobicContact CD2-CD1 4.09Å; L696-L800 HydrophobicContact CG-CD1 4.19Å
697	I	69.1	Low	68.7	Low	8 Å²	8	24.7 Å²	24.7	4%	0.041	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-21.8	176.7	-71	176.5	0	0	0	113.2	A658 A668 A671 L672 F675 A693	A658-I697 HydrophobicContact CB-CD1 4.01Å; A658-I697 HydrophobicContact CB-CG1 3.7Å; A668-I697 HydrophobicContact CB-CG2 3.73Å; A671-I697 HydrophobicContact CB-CD1 3.7Å; L672-I697 HydrophobicContact CD2-CG2 4.47Å; F675-I697 HydrophobicContact CD2-CD1 4.21Å; F675-I697 HydrophobicContact CE2-CD1 3.53Å; F675-I697 HydrophobicContact CZ-CD1 4.32Å; A693-I697 WeakPolarHBondContact O-CG1 3.39Å; A693-I697 PolarHBondContact O-N 2.95Å; A693-I697 VanDerWaalsContact O-N 3.13Å
698	S	61.7	Low	69.2	Low	5 Å²	5	22.8 Å²	22.8	4%	0.035	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-142.6	42.3	-175.4	-69.3	0	0	0	0	113	A695 L696 S700 N701 I706	A695-S698 CarbonylContact O-C 3.59Å; A695-S698 PolarHBondContact O-N 2.91Å; L696-S698 PolarHBondContact O-N 3.04Å; L696-S698 VanDerWaalsContact O-N 3.1Å; S698-S700 PolarHBondContact O-N 2.98Å; S698-N701 PolarHBondContact O-N 1.95Å; S698-I706 VanDerWaalsContact OG-CD1 3.23Å; S698-I706 WeakPolarHBondContact OG-CD1 3.41Å
699	V	66.4	Low	69.5	Low	9 Å²	9	22.1 Å²	22.1	6%	0.055	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	125.8	175.4	57.3	0	0	0	0	110.8	M662 A695 N701 L778 P780 L796	M662-V699 HydrophobicContact CE-CG1 4.19Å; A695-V699 WeakPolarHBondContact O-CA 3.34Å; A695-V699 PolarHBondContact O-N 3.39Å; V699-N701 PolarHBondContact O-N 3.1Å; V699-N701 VanDerWaalsContact O-N 3.14Å; V699-L778 HydrophobicContact CG2-CB 3.75Å; V699-L778 VanDerWaalsContact CG2-O 3.23Å; V699-L778 WeakPolarHBondContact CG2-O 3.47Å; V699-P780 HydrophobicContact CG1-CG 4.46Å; V699-L796 HydrophobicContact CB-CD1 4.42Å; V699-L796 HydrophobicContact CG1-CD1 4.16Å; V699-L796 HydrophobicContact CG2-CD1 4.09Å; V699-L796 HydrophobicContact CG2-CD2 4.44Å
700	S	59.6	Low	69.8	Low	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	19.4	-171.1	-37	0	0	0	0	116	S698 M731 V732 S734 T736 L778	S698-S700 PolarHBondContact O-N 2.98Å; S700-M731 PolarHBondContact N-O 3.47Å; S700-V732 CarbonylContact C-O 3.46Å; S700-V732 WeakPolarHBondContact CA-O 3.33Å; S700-S734 WeakPolarHBondContact CB-O 3.29Å; S700-T736 WeakPolarHBondContact O-CG2 3.43Å; S700-L778 PolarHBondContact OG-N 3.06Å; S700-L778 VanDerWaalsContact OG-N 3.13Å
701	N	64.9	Low	70.1	Confident	24 Å²	24	23.3 Å²	23.3	13%	0.128	13%	0.126	C	C	.	.			trans	-119.4	95.8	176	-173.6	-10.9	0	0	0	111.6	S698 V699 R703 V732 H876	S698-N701 PolarHBondContact O-N 1.95Å; V699-N701 PolarHBondContact O-N 3.1Å; V699-N701 VanDerWaalsContact O-N 3.14Å; N701-R703 PolarHBondContact O-N 3.43Å; N701-V732 PolarHBondContact N-O 3.21Å; N701-V732 WeakPolarHBondContact O-CG1 3.37Å; N701-H876 PolarHBondContact ND2-CE1 2.76Å; N701-H876 PolarHBondContact ND2-ND1 3.33Å
702	P	62.6	Low	70.3	Confident	28 Å²	28	30 Å²	30	18%	0.182	16%	0.155	C	C	.	.			trans	-72.1	49.6	-174.4	-21.1	35.5	0	0	0	116.4	L704 L707 T736 N738	P702-L704 PolarHBondContact O-N 3.26Å; P702-L707 HydrophobicContact CB-CD1 4.17Å; P702-T736 HydrophobicContact CG-CG2 3.71Å; P702-T736 WeakPolarHBondContact CG-OG1 3.38Å; P702-N738 WeakPolarHBondContact CB-ND2 3.37Å
703	R	68.6	Low	70.4	Confident	59 Å²	59	32.3 Å²	32.3	22%	0.223	17%	0.165	C	C	.	.			trans	-53.1	112.9	173.2	-74.2	-175.6	170.1	-133.6	1.9	109.7	E665 E669 N701 N705 I706 L707	E665-R703 IonicContact OE1-CZ 2.88Å; E665-R703 IonicContact OE1-NH2 3.17Å; E665-R703 PolarHBondContact OE1-NH2 3.3Å; E665-R703 IonicContact OE2-NH2 2.67Å; E669-R703 IonicContact OE1-CZ 2.75Å; E669-R703 IonicContact OE1-NH1 3.66Å; E669-R703 PolarHBondContact OE1-NH1 3.46Å; E669-R703 IonicContact OE1-NH2 2.88Å; N701-R703 PolarHBondContact O-N 3.43Å; R703-N705 PolarHBondContact O-N 2.77Å; R703-N705 VanDerWaalsContact O-N 3.09Å; R703-I706 HydrophobicContact CB-CD1 3.99Å; R703-I706 HydrophobicContact CB-CG1 4.15Å; R703-I706 WeakPolarHBondContact O-CB 3.28Å; R703-I706 PolarHBondContact O-N 3.16Å; R703-L707 PolarHBondContact O-N 2.94Å
704	L	70.6	Confident	70.2	Confident	80 Å²	80	32.3 Å²	32.3	42%	0.419	17%	0.165	S	C	.	.	H	α-helix	trans	-54.5	-35.7	-171.7	-66.8	178.6	0	0	0	113.7	P702 I706 L707 D708	P702-L704 PolarHBondContact O-N 3.26Å; L704-I706 PolarHBondContact O-N 3.23Å; L704-L707 PolarHBondContact O-N 3.35Å; L704-D708 WeakPolarHBondContact O-CB 3.46Å; L704-D708 PolarHBondContact O-N 3.44Å
705	N	75.9	Confident	70.4	Confident	137 Å²	137	36.1 Å²	36.1	73%	0.733	18%	0.182	S	C	*	.	H	α-helix	trans	-61.7	-31	178.3	-64	-8.4	0	0	0	112.8	R703 T709	R703-N705 PolarHBondContact O-N 2.77Å; R703-N705 VanDerWaalsContact O-N 3.09Å; N705-T709 WeakPolarHBondContact O-CG2 3.39Å; N705-T709 PolarHBondContact O-N 3.27Å; N705-T709 PolarHBondContact O-OG1 3.36Å
706	I	73.9	Confident	70.5	Confident	3 Å²	3	39.5 Å²	39.5	2%	0.015	20%	0.2	C	C	.	.	H	α-helix	trans	-81.6	-39.8	178.1	-55.3	178.9	0	0	0	109.9	L672 L694 S698 R703 L704 D708 T709 L710	L672-I706 HydrophobicContact CD1-CD1 4.08Å; L672-I706 HydrophobicContact CD1-CG1 4.25Å; L672-I706 HydrophobicContact CD2-CD1 3.88Å; L672-I706 HydrophobicContact CD2-CG1 4.06Å; L694-I706 HydrophobicContact CB-CG2 4.28Å; S698-I706 VanDerWaalsContact OG-CD1 3.23Å; S698-I706 WeakPolarHBondContact OG-CD1 3.41Å; R703-I706 HydrophobicContact CB-CD1 3.99Å; R703-I706 HydrophobicContact CB-CG1 4.15Å; R703-I706 WeakPolarHBondContact O-CB 3.28Å; R703-I706 PolarHBondContact O-N 3.16Å; L704-I706 PolarHBondContact O-N 3.23Å; I706-D708 PolarHBondContact O-N 3.36Å; I706-T709 PolarHBondContact O-N 2.88Å; I706-T709 PolarHBondContact O-OG1 3.36Å; I706-L710 HydrophobicContact CG2-CD1 3.87Å; I706-L710 HydrophobicContact CG2-CG 4.2Å; I706-L710 WeakPolarHBondContact O-CB 3.12Å; I706-L710 WeakPolarHBondContact O-CG 3.2Å; I706-L710 PolarHBondContact O-N 2.88Å
707	L	74.6	Confident	70.3	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-62.8	-42	174.2	-62.1	-174.4	0	0	0	112.1	P702 R703 L704 T709 S711 V732 L741	P702-L707 HydrophobicContact CB-CD1 4.17Å; R703-L707 PolarHBondContact O-N 2.94Å; L704-L707 PolarHBondContact O-N 3.35Å; L707-T709 VanDerWaalsContact C-N 3.26Å; L707-T709 PolarHBondContact O-N 2.95Å; L707-S711 WeakPolarHBondContact O-CB 3.45Å; L707-S711 PolarHBondContact O-N 3.27Å; L707-V732 HydrophobicContact CD2-CB 4.31Å; L707-V732 HydrophobicContact CD2-CG1 3.7Å; L707-L741 HydrophobicContact CD1-CB 4.33Å; L707-L741 HydrophobicContact CD1-CD1 4.36Å; L707-L741 HydrophobicContact CD2-CD1 3.95Å; L707-L741 HydrophobicContact CD2-CD2 4.35Å
708	D	77.6	Confident	70.4	Confident	52 Å²	52	45.1 Å²	45.1	28%	0.278	24%	0.244	S	C	.	.	H	α-helix	trans	-75.1	-8.9	178.7	-74.2	-15.9	0	0	0	113.5	L704 I706 K712 R740 M744	L704-D708 WeakPolarHBondContact O-CB 3.46Å; L704-D708 PolarHBondContact O-N 3.44Å; I706-D708 PolarHBondContact O-N 3.36Å; D708-K712 VanDerWaalsContact O-CD 3.31Å; D708-K712 WeakPolarHBondContact O-CD 3.18Å; D708-K712 VanDerWaalsContact O-CE 3.23Å; D708-K712 WeakPolarHBondContact O-CE 3.22Å; D708-K712 WeakPolarHBondContact O-CG 3.1Å; D708-K712 PolarHBondContact O-NZ 3.27Å; D708-R740 IonicContact OD1-CZ 3.77Å; D708-R740 IonicContact OD1-NH2 2.68Å; D708-R740 PolarHBondContact OD1-NH2 2.97Å; D708-R740 IonicContact OD2-CZ 3.69Å; D708-R740 IonicContact OD2-NH2 3.97Å; D708-R740 PolarHBondContact OD2-NH2 3.12Å; D708-M744 WeakPolarHBondContact OD1-CE 3.48Å
709	T	76.4	Confident	70.7	Confident	49 Å²	49	47.2 Å²	47.2	30%	0.301	26%	0.258	S	S	.	.	H	α-helix	trans	-94.1	-49.5	166.4	53.2	0	0	0	0	111.4	N705 I706 L707 S711 K712 F713	N705-T709 WeakPolarHBondContact O-CG2 3.39Å; N705-T709 PolarHBondContact O-N 3.27Å; N705-T709 PolarHBondContact O-OG1 3.36Å; I706-T709 PolarHBondContact O-N 2.88Å; I706-T709 PolarHBondContact O-OG1 3.36Å; L707-T709 VanDerWaalsContact C-N 3.26Å; L707-T709 PolarHBondContact O-N 2.95Å; T709-S711 VanDerWaalsContact C-N 3.27Å; T709-S711 PolarHBondContact O-N 3.39Å; T709-K712 WeakPolarHBondContact O-CA 3.4Å; T709-K712 WeakPolarHBondContact O-CB 3.3Å; T709-K712 PolarHBondContact O-N 3.17Å; T709-F713 WeakPolarHBondContact O-CD2 3.31Å; T709-F713 WeakPolarHBondContact O-CE2 3.32Å; T709-F713 PolarHBondContact O-N 3.48Å
710	L	74.6	Confident	70.7	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-55.9	-40.4	176.2	-68.6	174.5	0	0	0	112.4	P691 L694 I706 K712 F713 S714 A728 M729 V732	P691-L710 HydrophobicContact CB-CD2 3.9Å; L694-L710 HydrophobicContact CB-CD2 4.23Å; L694-L710 HydrophobicContact CD1-CD2 3.98Å; I706-L710 HydrophobicContact CG2-CD1 3.87Å; I706-L710 HydrophobicContact CG2-CG 4.2Å; I706-L710 WeakPolarHBondContact O-CB 3.12Å; I706-L710 WeakPolarHBondContact O-CG 3.2Å; I706-L710 PolarHBondContact O-N 2.88Å; L710-K712 PolarHBondContact O-N 2.93Å; L710-F713 PolarHBondContact O-N 3.3Å; L710-F713 VanDerWaalsContact O-N 3.09Å; L710-S714 PolarHBondContact O-N 3.37Å; L710-A728 HydrophobicContact CD1-CB 3.89Å; L710-A728 HydrophobicContact CD2-CB 3.8Å; L710-A728 HydrophobicContact CG-CB 4.49Å; L710-M729 HydrophobicContact CB-CG 3.58Å; L710-M729 HydrophobicContact CB-SD 4.17Å; L710-M729 HydrophobicContact CD1-CG 4.06Å; L710-M729 HydrophobicContact CG-CG 4.46Å; L710-V732 HydrophobicContact CD1-CG2 4.16Å
711	S	77.8	Confident	71.3	Confident	25 Å²	25	47.9 Å²	47.9	18%	0.175	26%	0.261	C	S	.	.	H	α-helix	trans	-63.2	-22.1	175.3	179.5	0	0	0	0	113.9	L707 T709 S714 H715	L707-S711 WeakPolarHBondContact O-CB 3.45Å; L707-S711 PolarHBondContact O-N 3.27Å; T709-S711 VanDerWaalsContact C-N 3.27Å; T709-S711 PolarHBondContact O-N 3.39Å; S711-S714 WeakPolarHBondContact CA-OG 3.24Å; S711-S714 PolarHBondContact O-OG 3.26Å; S711-H715 PolarHBondContact O-CD2 3.09Å
712	K	77.8	Confident	71.5	Confident	141 Å²	141	46.9 Å²	46.9	61%	0.613	26%	0.255	S	S	*	.	H	α-helix	trans	-81.4	-36.1	173.8	-65.6	171.1	-177.2	123	0	110.7	D708 T709 L710 H715	D708-K712 VanDerWaalsContact O-CD 3.31Å; D708-K712 WeakPolarHBondContact O-CD 3.18Å; D708-K712 VanDerWaalsContact O-CE 3.23Å; D708-K712 WeakPolarHBondContact O-CE 3.22Å; D708-K712 WeakPolarHBondContact O-CG 3.1Å; D708-K712 PolarHBondContact O-NZ 3.27Å; T709-K712 WeakPolarHBondContact O-CA 3.4Å; T709-K712 WeakPolarHBondContact O-CB 3.3Å; T709-K712 PolarHBondContact O-N 3.17Å; L710-K712 PolarHBondContact O-N 2.93Å; K712-H715 PolarHBondContact O-N 2.96Å
713	F	70.3	Confident	71.9	Confident	49 Å²	49	46.2 Å²	46.2	22%	0.215	25%	0.249	C	C	.	.	H	α-helix	trans	-75	-25.7	177.6	-53	-46.3	0	0	0	113.1	L679 L694 T709 L710 H715 D716 V721 S725	L679-F713 HydrophobicContact CD1-CE1 4.45Å; L679-F713 HydrophobicContact CD1-CE2 3.68Å; L679-F713 HydrophobicContact CD1-CZ 3.58Å; L679-F713 HydrophobicContact CD2-CE1 4.33Å; L679-F713 HydrophobicContact CD2-CE2 4.35Å; L679-F713 HydrophobicContact CD2-CZ 4.18Å; L679-F713 HydrophobicContact CG-CZ 4.37Å; L694-F713 HydrophobicContact CD1-CE2 4.5Å; T709-F713 WeakPolarHBondContact O-CD2 3.31Å; T709-F713 WeakPolarHBondContact O-CE2 3.32Å; T709-F713 PolarHBondContact O-N 3.48Å; L710-F713 PolarHBondContact O-N 3.3Å; L710-F713 VanDerWaalsContact O-N 3.09Å; F713-H715 PolarHBondContact O-N 2.72Å; F713-H715 VanDerWaalsContact O-N 3.08Å; F713-D716 WeakPolarHBondContact O-CB 3.32Å; F713-D716 PolarHBondContact O-N 3.15Å; F713-V721 HydrophobicContact CB-CG1 4.37Å; F713-S725 WeakPolarHBondContact CB-OG 3.09Å
714	S	65.2	Low	72	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-1.4	170.3	64.3	0	0	0	0	115	L710 S711 L748 H752	L710-S714 PolarHBondContact O-N 3.37Å; S711-S714 WeakPolarHBondContact CA-OG 3.24Å; S711-S714 PolarHBondContact O-OG 3.26Å; S714-L748 WeakPolarHBondContact OG-CD2 3.37Å; S714-H752 PolarHBondContact O-NE2 2.89Å
715	H	74.1	Confident	72	Confident	87 Å²	87	39.7 Å²	39.7	40%	0.403	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.5	10.8	172.4	-71	-64.6	0	0	0	113	S711 K712 F713 Y751	S711-H715 PolarHBondContact O-CD2 3.09Å; K712-H715 PolarHBondContact O-N 2.96Å; F713-H715 PolarHBondContact O-N 2.72Å; F713-H715 VanDerWaalsContact O-N 3.08Å; H715-Y751 AromaticContact CE1-CD1 3.79Å; H715-Y751 AromaticContact CE1-CD2 3.92Å; H715-Y751 AromaticContact CE1-CE1 3.99Å; H715-Y751 AromaticContact CE1-CG 3.76Å; H715-Y751 AromaticContact ND1-CD1 3.65Å; H715-Y751 AromaticContact ND1-CE1 3.44Å; H715-Y751 WeakPolarHBondContact ND1-CE1 3.18Å; H715-Y751 AromaticContact ND1-CZ 3.64Å
716	D	71.4	Confident	71.9	Confident	71 Å²	71	33.2 Å²	33.2	38%	0.38	18%	0.184	S	C	.	.	S	Bend	trans	-70.8	158.3	176.4	-161.8	5.6	0	0	0	112	F713 V721	F713-D716 WeakPolarHBondContact O-CB 3.32Å; F713-D716 PolarHBondContact O-N 3.15Å; D716-V721 HydrophobicContact CB-CG1 4.24Å
717	A	64.4	Low	71.8	Confident	99 Å²	99	33.1 Å²	33.1	82%	0.818	18%	0.184	S	C	*	.	S	Bend	trans	-79.5	-14.7	-173.9	0	0	0	0	0	114.2	P719	A717-P719 WeakPolarHBondContact O-CD 3.15Å
718	D	70.1	Confident	71.7	Confident	30 Å²	30	33.1 Å²	33.1	16%	0.16	18%	0.184	C	C	.	.	S	Bend	trans	-87.4	114.4	169	-174.5	-8.8	0	0	0	109.9	R688 E720 V721 S722	R688-D718 IonicContact CZ-OD2 2.69Å; R688-D718 VanDerWaalsContact CZ-OD2 3.23Å; R688-D718 IonicContact NE-OD2 2.64Å; R688-D718 PolarHBondContact NE-OD2 3.29Å; R688-D718 IonicContact NH2-OD1 3.41Å; R688-D718 IonicContact NH2-OD2 2.94Å; R688-D718 PolarHBondContact NH2-OD2 3.31Å; D718-E720 PolarHBondContact O-N 3.05Å; D718-E720 VanDerWaalsContact O-N 3.13Å; D718-E720 PolarHBondContact OD1-N 2.97Å; D718-V721 HydrophobicContact CB-CB 4.33Å; D718-V721 HydrophobicContact CB-CG2 3.96Å; D718-V721 PolarHBondContact O-N 2.85Å; D718-V721 VanDerWaalsContact O-N 3.13Å; D718-S722 PolarHBondContact O-N 3.29Å; D718-S722 VanDerWaalsContact O-N 3.12Å
719	P	67.3	Low	71.4	Confident	49 Å²	49	30.6 Å²	30.6	32%	0.318	17%	0.171	S	C	.	.	H	α-helix	trans	-61.3	-23.4	-179.3	25.4	-34.9	0	0	0	113.3	A717 S722 Y723	A717-P719 WeakPolarHBondContact O-CD 3.15Å; P719-S722 WeakPolarHBondContact O-CB 3.45Å; P719-S722 PolarHBondContact O-N 3.31Å; P719-Y723 HydrophobicContact CB-CE2 4.25Å; P719-Y723 WeakPolarHBondContact O-CD2 3.37Å; P719-Y723 PolarHBondContact O-N 3.44Å
720	E	66.9	Low	71	Confident	20 Å²	20	28.3 Å²	28.3	9%	0.093	16%	0.156	C	C	.	.	H	α-helix	trans	-72.6	-37.7	176	-69.7	176	-116.1	0	0	112.8	R688 D718 S722 Y723 N724 V806 R807	R688-E720 HydrophobicContact CG-CB 3.96Å; R688-E720 IonicContact CZ-OE1 3.64Å; R688-E720 IonicContact CZ-OE2 3.25Å; R688-E720 VanDerWaalsContact CZ-OE2 3.32Å; R688-E720 IonicContact NE-OE2 3.23Å; R688-E720 IonicContact NH1-OE1 3.67Å; R688-E720 PolarHBondContact NH1-OE1 3.23Å; R688-E720 IonicContact NH1-OE2 2.93Å; R688-E720 PolarHBondContact NH1-OE2 2.89Å; R688-E720 IonicContact NH2-OE1 2.8Å; R688-E720 PolarHBondContact NH2-OE1 3.17Å; D718-E720 PolarHBondContact O-N 3.05Å; D718-E720 VanDerWaalsContact O-N 3.13Å; D718-E720 PolarHBondContact OD1-N 2.97Å; E720-S722 VanDerWaalsContact C-N 3.31Å; E720-Y723 PolarHBondContact O-N 2.96Å; E720-N724 PolarHBondContact O-N 3.21Å; E720-N724 VanDerWaalsContact O-N 3.11Å; E720-V806 HydrophobicContact CB-CG2 4.41Å; E720-V806 HydrophobicContact CG-CG2 4.35Å; E720-R807 VanDerWaalsContact CD-NE 3.35Å; E720-R807 HydrophobicContact CG-CG 4.25Å; E720-R807 IonicContact OE1-CZ 2.7Å; E720-R807 IonicContact OE1-NE 2.98Å; E720-R807 PolarHBondContact OE1-NE 2.92Å; E720-R807 IonicContact OE1-NH1 3.54Å; E720-R807 IonicContact OE1-NH2 2.92Å; E720-R807 PolarHBondContact OE1-NH2 3.34Å
721	V	71.8	Confident	70.9	Confident	3 Å²	3	28.3 Å²	28.3	2%	0.018	16%	0.156	C	C	.	.	H	α-helix	trans	-65.4	-39.7	172.1	179.8	0	0	0	0	109.8	R687 R688 F713 D716 D718 S725	R687-V721 HydrophobicContact CB-CG2 4.16Å; R688-V721 HydrophobicContact CG-CG2 3.67Å; F713-V721 HydrophobicContact CB-CG1 4.37Å; D716-V721 HydrophobicContact CB-CG1 4.24Å; D718-V721 HydrophobicContact CB-CB 4.33Å; D718-V721 HydrophobicContact CB-CG2 3.96Å; D718-V721 PolarHBondContact O-N 2.85Å; D718-V721 VanDerWaalsContact O-N 3.13Å; V721-S725 VanDerWaalsContact O-CB 3.27Å; V721-S725 WeakPolarHBondContact O-CB 3.24Å; V721-S725 PolarHBondContact O-N 2.8Å; V721-S725 PolarHBondContact O-OG 3.24Å
722	S	70.3	Confident	70.5	Confident	2 Å²	2	27.1 Å²	27.1	1%	0.014	15%	0.148	C	C	.	.	H	α-helix	trans	-59.8	-52.8	173.6	179.1	0	0	0	0	112.1	D718 P719 E720 N724 S725 I726 N758	D718-S722 PolarHBondContact O-N 3.29Å; D718-S722 VanDerWaalsContact O-N 3.12Å; P719-S722 WeakPolarHBondContact O-CB 3.45Å; P719-S722 PolarHBondContact O-N 3.31Å; E720-S722 VanDerWaalsContact C-N 3.31Å; S722-N724 PolarHBondContact O-N 3.17Å; S722-S725 PolarHBondContact O-N 3.01Å; S722-I726 WeakPolarHBondContact O-CB 3.29Å; S722-I726 WeakPolarHBondContact O-CD1 3.33Å; S722-I726 WeakPolarHBondContact O-CG1 3.23Å; S722-I726 PolarHBondContact O-N 3.02Å; S722-I726 WeakPolarHBondContact OG-CD1 3.44Å; S722-N758 PolarHBondContact OG-OD1 3.37Å
723	Y	70.8	Confident	69.7	Low	15 Å²	15	20.4 Å²	20.4	6%	0.059	12%	0.119	C	C	.	.	H	α-helix	trans	-54.6	-50.1	178.1	-61.4	-38	0	0	0	111.8	P719 E720 S725 I726 F727 N757 N758 M761 V806 L811	P719-Y723 HydrophobicContact CB-CE2 4.25Å; P719-Y723 WeakPolarHBondContact O-CD2 3.37Å; P719-Y723 PolarHBondContact O-N 3.44Å; E720-Y723 PolarHBondContact O-N 2.96Å; Y723-S725 VanDerWaalsContact C-N 3.34Å; Y723-S725 PolarHBondContact O-N 3.3Å; Y723-I726 PolarHBondContact O-N 3.09Å; Y723-F727 PolarHBondContact O-N 3.04Å; Y723-N757 HydrophobicContact CE1-CB 3.79Å; Y723-N757 VanDerWaalsContact OH-CB 3.29Å; Y723-N757 WeakPolarHBondContact OH-CB 3.37Å; Y723-N758 VanDerWaalsContact CD1-OD1 3.31Å; Y723-N758 WeakPolarHBondContact CD1-OD1 3.32Å; Y723-N758 HydrophobicContact CE1-CB 4.39Å; Y723-N758 WeakPolarHBondContact CE1-OD1 2.83Å; Y723-M761 HydrophobicContact CD1-CB 4.42Å; Y723-M761 WeakPolarHBondContact O-CG 3.12Å; Y723-V806 HydrophobicContact CD2-CB 4.35Å; Y723-V806 HydrophobicContact CD2-CG2 4.4Å; Y723-L811 HydrophobicContact CE2-CD2 4.19Å
724	N	69.8	Low	69.5	Low	2 Å²	2	18.1 Å²	18.1	1%	0.011	11%	0.109	C	C	.	.	H	α-helix	trans	-68	-34.8	-176.6	-73	7.4	0	0	0	111.9	R688 P691 L692 E720 S722 A728 F803 V806	R688-N724 PolarHBondContact O-ND2 3.44Å; P691-N724 HydrophobicContact CB-CB 4.49Å; L692-N724 HydrophobicContact CD2-CB 3.86Å; L692-N724 HydrophobicContact CG-CB 4.11Å; E720-N724 PolarHBondContact O-N 3.21Å; E720-N724 VanDerWaalsContact O-N 3.11Å; S722-N724 PolarHBondContact O-N 3.17Å; N724-A728 WeakPolarHBondContact O-CB 3.33Å; N724-A728 PolarHBondContact O-N 3.42Å; N724-F803 PolarHBondContact ND2-O 2.97Å; N724-F803 VanDerWaalsContact ND2-O 3.09Å; N724-V806 WeakPolarHBondContact OD1-CG1 3.42Å; N724-V806 VanDerWaalsContact OD1-CG2 3.29Å; N724-V806 WeakPolarHBondContact OD1-CG2 3.45Å
725	S	72.1	Confident	69.3	Low	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-69.3	-38.2	174.7	-56.2	0	0	0	0	112.8	P691 F713 V721 S722 Y723 M729	P691-S725 WeakPolarHBondContact CG-OG 3.32Å; F713-S725 WeakPolarHBondContact CB-OG 3.09Å; V721-S725 VanDerWaalsContact O-CB 3.27Å; V721-S725 WeakPolarHBondContact O-CB 3.24Å; V721-S725 PolarHBondContact O-N 2.8Å; V721-S725 PolarHBondContact O-OG 3.24Å; S722-S725 PolarHBondContact O-N 3.01Å; Y723-S725 VanDerWaalsContact C-N 3.34Å; Y723-S725 PolarHBondContact O-N 3.3Å; S725-M729 WeakPolarHBondContact O-CG 2.71Å; S725-M729 PolarHBondContact O-N 3.48Å
726	I	72.7	Confident	68.7	Low	0 Å²	0	15.8 Å²	15.8	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-68.1	-43.7	176.8	-69.4	162.9	0	0	0	110.5	S722 Y723 M729 G730 M761 V762 A765	S722-I726 WeakPolarHBondContact O-CB 3.29Å; S722-I726 WeakPolarHBondContact O-CD1 3.33Å; S722-I726 WeakPolarHBondContact O-CG1 3.23Å; S722-I726 PolarHBondContact O-N 3.02Å; S722-I726 WeakPolarHBondContact OG-CD1 3.44Å; Y723-I726 PolarHBondContact O-N 3.09Å; I726-M729 PolarHBondContact O-N 3.45Å; I726-G730 PolarHBondContact O-N 2.99Å; I726-M761 HydrophobicContact CB-CG 4.21Å; I726-M761 HydrophobicContact CG2-CB 4.17Å; I726-M761 HydrophobicContact CG2-CG 3.95Å; I726-V762 HydrophobicContact CD1-CG2 3.88Å; I726-V762 HydrophobicContact CG1-CG2 4.31Å; I726-V762 VanDerWaalsContact CG2-CA 3.49Å; I726-V762 HydrophobicContact CG2-CB 4.13Å; I726-V762 HydrophobicContact CG2-CG2 3.62Å; I726-A765 HydrophobicContact CG2-CB 4.21Å; I726-A765 WeakPolarHBondContact O-CB 3.4Å
727	F	72	Confident	68.3	Low	1 Å²	1	16 Å²	16	0%	0.004	10%	0.103	C	C	.	.	H	α-helix	trans	-64.9	-42.1	175.1	-174.9	-105.6	0	0	0	112.2	Y723 M729 G730 M731 M761 L764 L768 V799 F803 L818	Y723-F727 PolarHBondContact O-N 3.04Å; F727-M729 VanDerWaalsContact C-N 3.33Å; F727-M729 PolarHBondContact O-N 2.72Å; F727-G730 WeakPolarHBondContact O-CA 3.48Å; F727-G730 PolarHBondContact O-N 3.34Å; F727-M731 HydrophobicContact CD1-CE 4.49Å; F727-M731 HydrophobicContact CD1-CG 4.14Å; F727-M731 HydrophobicContact CD1-SD 4.4Å; F727-M731 HydrophobicContact CE1-CE 3.87Å; F727-M731 HydrophobicContact CE1-CG 3.58Å; F727-M731 HydrophobicContact CE1-SD 3.42Å; F727-M731 WeakPolarHBondContact CE1-SD 3.43Å; F727-M731 HydrophobicContact CE2-CG 4.43Å; F727-M731 HydrophobicContact CZ-CG 3.74Å; F727-M731 HydrophobicContact CZ-SD 3.69Å; F727-M731 PolarHBondContact O-N 3.13Å; F727-M761 HydrophobicContact CB-CG 4.29Å; F727-M761 HydrophobicContact CB-SD 3.9Å; F727-M761 HydrophobicContact CD2-SD 4.07Å; F727-M761 HydrophobicContact CG-SD 4.36Å; F727-L764 HydrophobicContact CD2-CD2 3.97Å; F727-L764 HydrophobicContact CD2-CG 4.48Å; F727-L764 HydrophobicContact CE2-CD2 3.96Å; F727-L764 HydrophobicContact CE2-CG 4.42Å; F727-L768 HydrophobicContact CD2-CD1 4.23Å; F727-L768 HydrophobicContact CE2-CD1 3.61Å; F727-L768 HydrophobicContact CZ-CD1 4.2Å; F727-V799 HydrophobicContact CE1-CG1 3.99Å; F727-V799 HydrophobicContact CZ-CG1 3.82Å; F727-F803 HydrophobicContact CB-CD1 4.26Å; F727-F803 HydrophobicContact CB-CE1 3.63Å; F727-F803 HydrophobicContact CB-CZ 4.07Å; F727-F803 AromaticContact CD1-CD1 3.91Å; F727-F803 HydrophobicContact CD1-CD1 3.91Å; F727-F803 AromaticContact CD1-CD2 3.87Å; F727-F803 HydrophobicContact CD1-CD2 3.87Å; F727-F803 AromaticContact CD1-CE1 3.58Å; F727-F803 HydrophobicContact CD1-CE1 3.58Å; F727-F803 AromaticContact CD1-CE2 3.55Å; F727-F803 HydrophobicContact CD1-CE2 3.55Å; F727-F803 HydrophobicContact CD1-CG 4.08Å; F727-F803 AromaticContact CD1-CZ 3.41Å; F727-F803 HydrophobicContact CD1-CZ 3.41Å; F727-F803 VanDerWaalsContact CD1-CZ 3.41Å; F727-F803 AromaticContact CD2-CE1 3.8Å; F727-F803 HydrophobicContact CD2-CE1 3.8Å; F727-F803 HydrophobicContact CD2-CE2 4.01Å; F727-F803 AromaticContact CD2-CZ 3.3Å; F727-F803 HydrophobicContact CD2-CZ 3.3Å; F727-F803 AromaticContact CE1-CD2 3.67Å; F727-F803 HydrophobicContact CE1-CD2 3.67Å; F727-F803 HydrophobicContact CE1-CE1 4.18Å; F727-F803 AromaticContact CE1-CE2 3.24Å; F727-F803 HydrophobicContact CE1-CE2 3.24Å; F727-F803 HydrophobicContact CE1-CG 4.33Å; F727-F803 AromaticContact CE1-CZ 3.55Å; F727-F803 HydrophobicContact CE1-CZ 3.55Å; F727-F803 HydrophobicContact CE2-CE1 4.37Å; F727-F803 AromaticContact CE2-CE2 3.74Å; F727-F803 HydrophobicContact CE2-CE2 3.74Å; F727-F803 AromaticContact CE2-CZ 3.45Å; F727-F803 HydrophobicContact CE2-CZ 3.45Å; F727-F803 VanDerWaalsContact CE2-CZ 3.45Å; F727-F803 HydrophobicContact CG-CD1 4.1Å; F727-F803 AromaticContact CG-CE1 3.36Å; F727-F803 HydrophobicContact CG-CE1 3.36Å; F727-F803 AromaticContact CG-CE2 3.93Å; F727-F803 HydrophobicContact CG-CE2 3.93Å; F727-F803 AromaticContact CG-CZ 3.28Å; F727-F803 HydrophobicContact CG-CZ 3.28Å; F727-F803 HydrophobicContact CZ-CD2 4.22Å; F727-F803 AromaticContact CZ-CE2 3.36Å; F727-F803 HydrophobicContact CZ-CE2 3.36Å; F727-F803 AromaticContact CZ-CZ 3.58Å; F727-F803 HydrophobicContact CZ-CZ 3.58Å; F727-L818 HydrophobicContact CE2-CD2 4.39Å
728	A	72.6	Confident	68.4	Low	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-55.7	-45.2	173.6	0	0	0	0	0	112.3	P691 A695 L710 N724 G730 M731 V732	P691-A728 HydrophobicContact CB-CB 4.38Å; P691-A728 WeakPolarHBondContact O-CB 3.5Å; A695-A728 HydrophobicContact CB-CB 3.71Å; L710-A728 HydrophobicContact CD1-CB 3.89Å; L710-A728 HydrophobicContact CD2-CB 3.8Å; L710-A728 HydrophobicContact CG-CB 4.49Å; N724-A728 WeakPolarHBondContact O-CB 3.33Å; N724-A728 PolarHBondContact O-N 3.42Å; A728-G730 PolarHBondContact O-N 3.43Å; A728-M731 PolarHBondContact O-N 3.25Å; A728-V732 VanDerWaalsContact O-CG2 3.31Å; A728-V732 WeakPolarHBondContact O-CG2 3.42Å; A728-V732 PolarHBondContact O-N 3.45Å
729	M	71.4	Confident	68.3	Low	0 Å²	0	15.8 Å²	15.8	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-59.7	-34.9	173.3	-74.1	178.1	69.6	0	0	112.5	L710 S725 I726 F727 G733 L741 M744 L745 L748	L710-M729 HydrophobicContact CB-CG 3.58Å; L710-M729 HydrophobicContact CB-SD 4.17Å; L710-M729 HydrophobicContact CD1-CG 4.06Å; L710-M729 HydrophobicContact CG-CG 4.46Å; S725-M729 WeakPolarHBondContact O-CG 2.71Å; S725-M729 PolarHBondContact O-N 3.48Å; I726-M729 PolarHBondContact O-N 3.45Å; F727-M729 VanDerWaalsContact C-N 3.33Å; F727-M729 PolarHBondContact O-N 2.72Å; M729-G733 PolarHBondContact O-N 3.13Å; M729-L741 HydrophobicContact CB-CD1 4.21Å; M729-L741 HydrophobicContact CE-CD1 3.68Å; M729-L741 WeakPolarHBondContact O-CD2 3.34Å; M729-M744 HydrophobicContact CE-CB 4.02Å; M729-L745 HydrophobicContact CB-CD2 4.27Å; M729-L745 HydrophobicContact CE-CD2 4.43Å; M729-L748 HydrophobicContact CE-CD1 4.03Å; M729-L748 HydrophobicContact SD-CD1 3.99Å
730	G	68.7	Low	68.4	Low	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-60.3	-55.7	171	0	0	0	0	0	112.4	I726 F727 A728 G733 S734	I726-G730 PolarHBondContact O-N 2.99Å; F727-G730 WeakPolarHBondContact O-CA 3.48Å; F727-G730 PolarHBondContact O-N 3.34Å; A728-G730 PolarHBondContact O-N 3.43Å; G730-G733 CarbonylContact O-C 3.42Å; G730-G733 WeakPolarHBondContact O-CA 3.42Å; G730-G733 PolarHBondContact O-N 3.06Å; G730-G733 VanDerWaalsContact O-N 3.11Å; G730-S734 PolarHBondContact O-N 2.94Å; G730-S734 PolarHBondContact O-OG 2.96Å
731	M	70.8	Confident	68.5	Low	1 Å²	1	17.3 Å²	17.3	1%	0.005	10%	0.097	C	C	.	.	H	α-helix	trans	-66.8	-37.8	-176.1	-64.8	-144.4	-56	0	0	114.3	A695 S700 F727 A728 G733 S734 L768 L796 L800	A695-M731 HydrophobicContact CB-CB 4.38Å; A695-M731 HydrophobicContact CB-CE 4Å; S700-M731 PolarHBondContact N-O 3.47Å; F727-M731 HydrophobicContact CD1-CE 4.49Å; F727-M731 HydrophobicContact CD1-CG 4.14Å; F727-M731 HydrophobicContact CD1-SD 4.4Å; F727-M731 HydrophobicContact CE1-CE 3.87Å; F727-M731 HydrophobicContact CE1-CG 3.58Å; F727-M731 HydrophobicContact CE1-SD 3.42Å; F727-M731 WeakPolarHBondContact CE1-SD 3.43Å; F727-M731 HydrophobicContact CE2-CG 4.43Å; F727-M731 HydrophobicContact CZ-CG 3.74Å; F727-M731 HydrophobicContact CZ-SD 3.69Å; F727-M731 PolarHBondContact O-N 3.13Å; A728-M731 PolarHBondContact O-N 3.25Å; M731-G733 PolarHBondContact O-N 2.91Å; M731-S734 WeakPolarHBondContact CA-OG 3.39Å; M731-S734 PolarHBondContact O-N 3.48Å; M731-L768 HydrophobicContact CG-CD1 4.36Å; M731-L796 HydrophobicContact SD-CD2 4.26Å; M731-L800 HydrophobicContact CE-CD1 4.32Å; M731-L800 HydrophobicContact CE-CD2 3.67Å; M731-L800 HydrophobicContact CE-CG 4.03Å
732	V	70.2	Confident	68.3	Low	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-62.6	-29.7	173.5	172.5	0	0	0	0	111.1	A695 S700 N701 L707 L710 A728	A695-V732 HydrophobicContact CB-CG2 4.21Å; S700-V732 CarbonylContact C-O 3.46Å; S700-V732 WeakPolarHBondContact CA-O 3.33Å; N701-V732 PolarHBondContact N-O 3.21Å; N701-V732 WeakPolarHBondContact O-CG1 3.37Å; L707-V732 HydrophobicContact CD2-CB 4.31Å; L707-V732 HydrophobicContact CD2-CG1 3.7Å; L710-V732 HydrophobicContact CD1-CG2 4.16Å; A728-V732 VanDerWaalsContact O-CG2 3.31Å; A728-V732 WeakPolarHBondContact O-CG2 3.42Å; A728-V732 PolarHBondContact O-N 3.45Å
733	G	61.1	Low	68.3	Low	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-2.5	177.7	0	0	0	0	0	116.2	M729 G730 M731 G735 T736 L741	M729-G733 PolarHBondContact O-N 3.13Å; G730-G733 CarbonylContact O-C 3.42Å; G730-G733 WeakPolarHBondContact O-CA 3.42Å; G730-G733 PolarHBondContact O-N 3.06Å; G730-G733 VanDerWaalsContact O-N 3.11Å; M731-G733 PolarHBondContact O-N 2.91Å; G733-G735 PolarHBondContact O-N 2.83Å; G733-T736 WeakPolarHBondContact O-CB 3.48Å; G733-T736 PolarHBondContact O-N 3.21Å; G733-T736 PolarHBondContact O-OG1 3.36Å; G733-L741 VanDerWaalsContact CA-CD2 3.4Å
734	S	65.9	Low	68.4	Low	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	125	-167.3	-78.6	0	0	0	0	113.4	S700 G730 M731 T736 L768 L778	S700-S734 WeakPolarHBondContact CB-O 3.29Å; G730-S734 PolarHBondContact O-N 2.94Å; G730-S734 PolarHBondContact O-OG 2.96Å; M731-S734 WeakPolarHBondContact CA-OG 3.39Å; M731-S734 PolarHBondContact O-N 3.48Å; S734-T736 WeakPolarHBondContact O-CG2 3.41Å; S734-T736 PolarHBondContact O-N 3.43Å; S734-L768 WeakPolarHBondContact CA-O 3.39Å; S734-L778 VanDerWaalsContact CB-CD1 3.49Å; S734-L778 WeakPolarHBondContact OG-CD1 3.4Å
735	G	60.3	Low	68.4	Low	2 Å²	2	19.7 Å²	19.7	2%	0.021	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	0.2	-179.2	0	0	0	0	0	116.3	G733 L768 G774 L776	G733-G735 PolarHBondContact O-N 2.83Å; G735-L768 PolarHBondContact N-O 3.45Å; G735-L768 VanDerWaalsContact N-O 3.11Å; G735-G774 CarbonylContact O-C 3.36Å; G735-G774 WeakPolarHBondContact O-CA 3.43Å; G735-L776 VanDerWaalsContact CA-O 3.25Å; G735-L776 WeakPolarHBondContact CA-O 3.35Å
736	T	62.7	Low	68.2	Low	36 Å²	36	22.5 Å²	22.5	22%	0.221	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-12.9	-176.5	68.7	0	0	0	0	113.8	S700 P702 G733 S734 N738	S700-T736 WeakPolarHBondContact O-CG2 3.43Å; P702-T736 HydrophobicContact CG-CG2 3.71Å; P702-T736 WeakPolarHBondContact CG-OG1 3.38Å; G733-T736 WeakPolarHBondContact O-CB 3.48Å; G733-T736 PolarHBondContact O-N 3.21Å; G733-T736 PolarHBondContact O-OG1 3.36Å; S734-T736 WeakPolarHBondContact O-CG2 3.41Å; S734-T736 PolarHBondContact O-N 3.43Å; T736-N738 PolarHBondContact O-N 3.42Å
737	N	62.6	Low	68.2	Low	77 Å²	77	29 Å²	29	41%	0.412	16%	0.157	S	C	.	.			trans	51.8	28.6	178.4	-164	12.6	0	0	0	113.6	A739 T769 H770	N737-A739 PolarHBondContact O-N 3.23Å; N737-A739 VanDerWaalsContact O-N 3.12Å; N737-T769 WeakPolarHBondContact CA-O 3.41Å; N737-T769 PolarHBondContact N-O 3.42Å; N737-T769 VanDerWaalsContact N-O 3.13Å; N737-H770 PolarHBondContact OD1-CE1 2.6Å; N737-H770 PolarHBondContact OD1-ND1 3.12Å
738	N	66.8	Low	67.8	Low	44 Å²	44	29.1 Å²	29.1	24%	0.235	16%	0.157	C	C	.	.			trans	-66.8	113.2	-171.3	-178.8	-28.2	0	0	0	111.4	P702 T736 R740 L741 A742	P702-N738 WeakPolarHBondContact CB-ND2 3.37Å; T736-N738 PolarHBondContact O-N 3.42Å; N738-R740 VanDerWaalsContact C-N 3.28Å; N738-R740 PolarHBondContact O-N 3.09Å; N738-R740 PolarHBondContact OD1-N 3.1Å; N738-L741 HydrophobicContact CB-CB 4.1Å; N738-L741 PolarHBondContact O-N 3.09Å; N738-L741 VanDerWaalsContact O-N 3.07Å; N738-A742 PolarHBondContact O-N 3.29Å
739	A	67.5	Low	67.3	Low	79 Å²	79	29.2 Å²	29.2	65%	0.653	16%	0.159	S	C	*	.	H	α-helix	trans	-59.1	-30.6	-175.2	0	0	0	0	0	114.6	N737 A743	N737-A739 PolarHBondContact O-N 3.23Å; N737-A739 VanDerWaalsContact O-N 3.12Å; A739-A743 WeakPolarHBondContact O-CB 3.37Å; A739-A743 PolarHBondContact O-N 2.92Å; A739-A743 VanDerWaalsContact O-N 3.08Å
740	R	69.8	Low	67	Low	102 Å²	102	33.2 Å²	33.2	39%	0.385	18%	0.177	S	C	.	.	H	α-helix	trans	-70.9	-43.8	175.5	176.4	174.7	168.4	170.6	-4.7	110.8	D708 N738 A743 M744	D708-R740 IonicContact OD1-CZ 3.77Å; D708-R740 IonicContact OD1-NH2 2.68Å; D708-R740 PolarHBondContact OD1-NH2 2.97Å; D708-R740 IonicContact OD2-CZ 3.69Å; D708-R740 IonicContact OD2-NH2 3.97Å; D708-R740 PolarHBondContact OD2-NH2 3.12Å; N738-R740 VanDerWaalsContact C-N 3.28Å; N738-R740 PolarHBondContact O-N 3.09Å; N738-R740 PolarHBondContact OD1-N 3.1Å; R740-A743 WeakPolarHBondContact O-CB 3.39Å; R740-A743 PolarHBondContact O-N 3.28Å; R740-M744 HydrophobicContact CG-SD 4.2Å; R740-M744 WeakPolarHBondContact O-CG 3.2Å; R740-M744 PolarHBondContact O-N 2.72Å
741	L	68.9	Low	66.8	Low	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-66.2	-44.9	177.3	-179.5	57.4	0	0	0	111.5	L707 M729 G733 N738 A743 M744 L745 T769	L707-L741 HydrophobicContact CD1-CB 4.33Å; L707-L741 HydrophobicContact CD1-CD1 4.36Å; L707-L741 HydrophobicContact CD2-CD1 3.95Å; L707-L741 HydrophobicContact CD2-CD2 4.35Å; M729-L741 HydrophobicContact CB-CD1 4.21Å; M729-L741 HydrophobicContact CE-CD1 3.68Å; M729-L741 WeakPolarHBondContact O-CD2 3.34Å; G733-L741 VanDerWaalsContact CA-CD2 3.4Å; N738-L741 HydrophobicContact CB-CB 4.1Å; N738-L741 PolarHBondContact O-N 3.09Å; N738-L741 VanDerWaalsContact O-N 3.07Å; L741-A743 PolarHBondContact O-N 3.4Å; L741-M744 PolarHBondContact O-N 3.11Å; L741-M744 VanDerWaalsContact O-N 3.11Å; L741-L745 HydrophobicContact CD1-CD1 4.43Å; L741-L745 HydrophobicContact CD1-CG 4.3Å; L741-L745 HydrophobicContact CG-CD1 4.27Å; L741-L745 PolarHBondContact O-N 3.38Å; L741-T769 HydrophobicContact CD2-CG2 3.67Å; L741-T769 HydrophobicContact CG-CG2 4.06Å
742	A	66.4	Low	66.3	Low	12 Å²	12	41 Å²	41	10%	0.099	21%	0.208	C	C	.	.	H	α-helix	trans	-62.5	-24.6	173.6	0	0	0	0	0	112.7	N738 R746	N738-A742 PolarHBondContact O-N 3.29Å; A742-R746 PolarHBondContact O-NE 2.93Å; A742-R746 PolarHBondContact O-NH2 3.35Å
743	A	71.8	Confident	65.6	Low	32 Å²	32	43 Å²	43	26%	0.264	23%	0.225	S	C	.	.	H	α-helix	trans	-75.8	-43.3	170.1	0	0	0	0	0	112.5	A739 R740 L741 R746 Q747	A739-A743 WeakPolarHBondContact O-CB 3.37Å; A739-A743 PolarHBondContact O-N 2.92Å; A739-A743 VanDerWaalsContact O-N 3.08Å; R740-A743 WeakPolarHBondContact O-CB 3.39Å; R740-A743 PolarHBondContact O-N 3.28Å; L741-A743 PolarHBondContact O-N 3.4Å; A743-R746 PolarHBondContact O-N 2.98Å; A743-Q747 WeakPolarHBondContact O-CG 3.34Å; A743-Q747 PolarHBondContact O-N 3.13Å
744	M	72.3	Confident	65.3	Low	27 Å²	27	51.8 Å²	51.8	13%	0.133	26%	0.263	C	S	.	.	H	α-helix	trans	-61.1	-45.9	175.1	-72.1	164.3	149.9	0	0	111.9	D708 M729 R740 L741 R746 Q747 L748	D708-M744 WeakPolarHBondContact OD1-CE 3.48Å; M729-M744 HydrophobicContact CE-CB 4.02Å; R740-M744 HydrophobicContact CG-SD 4.2Å; R740-M744 WeakPolarHBondContact O-CG 3.2Å; R740-M744 PolarHBondContact O-N 2.72Å; L741-M744 PolarHBondContact O-N 3.11Å; L741-M744 VanDerWaalsContact O-N 3.11Å; M744-R746 VanDerWaalsContact C-N 3.29Å; M744-R746 PolarHBondContact O-N 2.89Å; M744-Q747 PolarHBondContact O-N 3.11Å; M744-Q747 VanDerWaalsContact O-N 3.14Å; M744-L748 WeakPolarHBondContact O-CG 3.38Å; M744-L748 PolarHBondContact O-N 2.93Å
745	L	69.7	Low	65.2	Low	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-63.4	-30.9	178.2	-70.2	174.2	0	0	0	113	M729 L741 L748 A749 V762 A765 Q766 T769	M729-L745 HydrophobicContact CB-CD2 4.27Å; M729-L745 HydrophobicContact CE-CD2 4.43Å; L741-L745 HydrophobicContact CD1-CD1 4.43Å; L741-L745 HydrophobicContact CD1-CG 4.3Å; L741-L745 HydrophobicContact CG-CD1 4.27Å; L741-L745 PolarHBondContact O-N 3.38Å; L745-L748 HydrophobicContact CD2-CD1 4.46Å; L745-A749 WeakPolarHBondContact O-CB 3.35Å; L745-A749 PolarHBondContact O-N 3.1Å; L745-V762 WeakPolarHBondContact O-CG1 3.31Å; L745-A765 HydrophobicContact CD1-CB 4.29Å; L745-A765 HydrophobicContact CD2-CB 4.01Å; L745-Q766 HydrophobicContact CB-CG 3.8Å; L745-Q766 HydrophobicContact CD1-CG 4.13Å; L745-Q766 PolarHBondContact O-NE2 3.33Å; L745-T769 HydrophobicContact CD1-CG2 3.63Å
746	R	69.2	Low	65.2	Low	59 Å²	59	58 Å²	58	22%	0.223	30%	0.298	C	S	.	.	H	α-helix	trans	-72.8	-40.4	171.9	-77.5	174.7	-69.6	143.1	1.1	112.2	L353 A742 A743 M744 L748 A749 Q750	L353-R746 VanDerWaalsContact CD2-NH1 3.27Å; A742-R746 PolarHBondContact O-NE 2.93Å; A742-R746 PolarHBondContact O-NH2 3.35Å; A743-R746 PolarHBondContact O-N 2.98Å; M744-R746 VanDerWaalsContact C-N 3.29Å; M744-R746 PolarHBondContact O-N 2.89Å; R746-L748 VanDerWaalsContact C-N 3.26Å; R746-L748 PolarHBondContact O-N 3.11Å; R746-A749 PolarHBondContact O-N 2.97Å; R746-Q750 WeakPolarHBondContact O-CB 3.4Å; R746-Q750 PolarHBondContact O-N 3.26Å
747	Q	71.4	Confident	65.3	Low	137 Å²	137	58.1 Å²	58.1	64%	0.64	30%	0.298	S	S	*	.	H	α-helix	trans	-60.4	-37.7	172.7	-69.4	175.4	1.8	0	0	112	A743 M744 Y751	A743-Q747 WeakPolarHBondContact O-CG 3.34Å; A743-Q747 PolarHBondContact O-N 3.13Å; M744-Q747 PolarHBondContact O-N 3.11Å; M744-Q747 VanDerWaalsContact O-N 3.14Å; Q747-Y751 WeakPolarHBondContact O-CB 3.26Å; Q747-Y751 PolarHBondContact O-N 3.27Å
748	L	63.6	Low	65.4	Low	3 Å²	3	54.7 Å²	54.7	2%	0.016	28%	0.279	C	S	.	.	H	α-helix	trans	-69.9	-39.2	174.1	-69.9	169	0	0	0	112.8	S714 M729 M744 L745 R746 Q750 Y751 H752 V762	S714-L748 WeakPolarHBondContact OG-CD2 3.37Å; M729-L748 HydrophobicContact CE-CD1 4.03Å; M729-L748 HydrophobicContact SD-CD1 3.99Å; M744-L748 WeakPolarHBondContact O-CG 3.38Å; M744-L748 PolarHBondContact O-N 2.93Å; L745-L748 HydrophobicContact CD2-CD1 4.46Å; R746-L748 VanDerWaalsContact C-N 3.26Å; R746-L748 PolarHBondContact O-N 3.11Å; L748-Q750 VanDerWaalsContact C-N 3.35Å; L748-Q750 PolarHBondContact O-N 3.11Å; L748-Y751 PolarHBondContact O-N 3.44Å; L748-H752 WeakPolarHBondContact O-CB 3.1Å; L748-H752 PolarHBondContact O-N 3.16Å; L748-V762 HydrophobicContact CB-CG2 4.26Å
749	A	62.4	Low	65.2	Low	3 Å²	3	53.3 Å²	53.3	3%	0.025	27%	0.272	C	S	.	.	H	α-helix	trans	-59.3	-46.9	173.4	0	0	0	0	0	111.1	L745 R746 Y751 A753 L759 V762	L745-A749 WeakPolarHBondContact O-CB 3.35Å; L745-A749 PolarHBondContact O-N 3.1Å; R746-A749 PolarHBondContact O-N 2.97Å; A749-Y751 VanDerWaalsContact C-N 3.34Å; A749-Y751 PolarHBondContact O-N 3.37Å; A749-A753 WeakPolarHBondContact O-CA 3.32Å; A749-A753 WeakPolarHBondContact O-CB 3.37Å; A749-A753 PolarHBondContact O-N 2.86Å; A749-L759 HydrophobicContact CB-CD1 4.29Å; A749-V762 HydrophobicContact CB-CG1 3.77Å
750	Q	64.3	Low	64.9	Low	84 Å²	84	49.9 Å²	49.9	39%	0.393	24%	0.242	S	C	.	.	H	α-helix	trans	-65.6	-33.6	178.4	-178.8	62.9	102.1	0	0	113	N355 R746 L748	N355-Q750 PolarHBondContact O-OE1 2.7Å; R746-Q750 WeakPolarHBondContact O-CB 3.4Å; R746-Q750 PolarHBondContact O-N 3.26Å; L748-Q750 VanDerWaalsContact C-N 3.35Å; L748-Q750 PolarHBondContact O-N 3.11Å
751	Y	64.6	Low	64.5	Low	150 Å²	150	45 Å²	45	59%	0.588	22%	0.224	S	C	*	.	H	α-helix	trans	-71.9	-49.3	176.5	-176.4	-91.5	0	0	0	111.9	H715 Q747 L748 A749 A753	H715-Y751 AromaticContact CE1-CD1 3.79Å; H715-Y751 AromaticContact CE1-CD2 3.92Å; H715-Y751 AromaticContact CE1-CE1 3.99Å; H715-Y751 AromaticContact CE1-CG 3.76Å; H715-Y751 AromaticContact ND1-CD1 3.65Å; H715-Y751 AromaticContact ND1-CE1 3.44Å; H715-Y751 WeakPolarHBondContact ND1-CE1 3.18Å; H715-Y751 AromaticContact ND1-CZ 3.64Å; Q747-Y751 WeakPolarHBondContact O-CB 3.26Å; Q747-Y751 PolarHBondContact O-N 3.27Å; L748-Y751 PolarHBondContact O-N 3.44Å; A749-Y751 VanDerWaalsContact C-N 3.34Å; A749-Y751 PolarHBondContact O-N 3.37Å; Y751-A753 VanDerWaalsContact C-N 3.29Å; Y751-A753 PolarHBondContact O-N 3.48Å
752	H	60.3	Low	64.3	Low	15 Å²	15	45 Å²	45	7%	0.069	22%	0.224	C	C	.	.	S	Bend	trans	-85.9	10.8	-176.9	-74.8	-58.9	0	0	0	114.2	S714 L748 K754 D755 N758	S714-H752 PolarHBondContact O-NE2 2.89Å; L748-H752 WeakPolarHBondContact O-CB 3.1Å; L748-H752 PolarHBondContact O-N 3.16Å; H752-K754 PolarHBondContact O-N 3.37Å; H752-D755 PolarHBondContact O-N 3.44Å; H752-N758 HydrophobicContact CB-CB 3.62Å
753	A	56.9	Low	64.4	Low	41 Å²	41	46.2 Å²	46.2	34%	0.339	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-9.1	-175.9	0	0	0	0	0	115.9	A749 Y751	A749-A753 WeakPolarHBondContact O-CA 3.32Å; A749-A753 WeakPolarHBondContact O-CB 3.37Å; A749-A753 PolarHBondContact O-N 2.86Å; Y751-A753 VanDerWaalsContact C-N 3.29Å; Y751-A753 PolarHBondContact O-N 3.48Å
754	K	53.8	Low	64.1	Low	184 Å²	184	44.8 Å²	44.8	80%	0.8	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-19.9	175.9	-66.9	-178.9	179.1	177.6	0	114.1	H752 P756	H752-K754 PolarHBondContact O-N 3.37Å; K754-P756 WeakPolarHBondContact O-CD 3.33Å
755	D	64.3	Low	63.8	Low	82 Å²	82	43.5 Å²	43.5	44%	0.439	21%	0.207	S	C	.	.			trans	-108.9	105.4	-175.4	-70.3	-34	0	0	0	110.2	H752 N757 N758 L759	H752-D755 PolarHBondContact O-N 3.44Å; D755-N757 PolarHBondContact O-N 3.13Å; D755-N758 HydrophobicContact CB-CB 3.96Å; D755-N758 WeakPolarHBondContact CB-ND2 3.48Å; D755-N758 PolarHBondContact O-N 3.33Å; D755-N758 VanDerWaalsContact O-N 3.13Å; D755-N758 PolarHBondContact OD2-ND2 3.02Å; D755-N758 VanDerWaalsContact OD2-ND2 3.11Å; D755-L759 WeakPolarHBondContact O-CB 3.49Å; D755-L759 PolarHBondContact O-N 3.09Å
756	P	60.7	Low	63.6	Low	51 Å²	51	43.9 Å²	43.9	33%	0.331	21%	0.209	S	C	.	.	H	α-helix	trans	-56.9	-28.3	-175.6	-27.3	35.6	0	0	0	114.2	K754 F760	K754-P756 WeakPolarHBondContact O-CD 3.33Å; P756-F760 WeakPolarHBondContact O-CB 3.14Å; P756-F760 PolarHBondContact O-N 3.12Å
757	N	65.1	Low	63.2	Low	39 Å²	39	41.1 Å²	41.1	21%	0.209	20%	0.199	C	C	.	.	H	α-helix	trans	-77.8	-42.5	-180	-59.4	-16.8	0	0	0	112.5	R369 Y723 D755 L759 F760 M761 L811	R369-N757 PolarHBondContact NH1-OD1 3.06Å; Y723-N757 HydrophobicContact CE1-CB 3.79Å; Y723-N757 VanDerWaalsContact OH-CB 3.29Å; Y723-N757 WeakPolarHBondContact OH-CB 3.37Å; D755-N757 PolarHBondContact O-N 3.13Å; N757-L759 VanDerWaalsContact C-N 3.32Å; N757-F760 PolarHBondContact O-N 3.49Å; N757-M761 PolarHBondContact O-N 3.31Å; N757-M761 VanDerWaalsContact O-N 3.12Å; N757-L811 HydrophobicContact CB-CD1 4.23Å; N757-L811 HydrophobicContact CB-CD2 3.96Å; N757-L811 HydrophobicContact CB-CG 4.41Å
758	N	63	Low	62.8	Low	4 Å²	4	34.6 Å²	34.6	2%	0.021	17%	0.168	C	C	.	.	H	α-helix	trans	-64.8	-43.3	173.8	-77.3	-47.7	0	0	0	109	S722 Y723 H752 D755 F760 M761 V762	S722-N758 PolarHBondContact OG-OD1 3.37Å; Y723-N758 VanDerWaalsContact CD1-OD1 3.31Å; Y723-N758 WeakPolarHBondContact CD1-OD1 3.32Å; Y723-N758 HydrophobicContact CE1-CB 4.39Å; Y723-N758 WeakPolarHBondContact CE1-OD1 2.83Å; H752-N758 HydrophobicContact CB-CB 3.62Å; D755-N758 HydrophobicContact CB-CB 3.96Å; D755-N758 WeakPolarHBondContact CB-ND2 3.48Å; D755-N758 PolarHBondContact O-N 3.33Å; D755-N758 VanDerWaalsContact O-N 3.13Å; D755-N758 PolarHBondContact OD2-ND2 3.02Å; D755-N758 VanDerWaalsContact OD2-ND2 3.11Å; N758-F760 VanDerWaalsContact C-N 3.34Å; N758-F760 PolarHBondContact O-N 3.17Å; N758-M761 PolarHBondContact O-N 3.42Å; N758-M761 VanDerWaalsContact O-N 3.15Å; N758-V762 WeakPolarHBondContact O-CG2 3.26Å; N758-V762 PolarHBondContact O-N 2.76Å
759	L	62.8	Low	62.8	Low	15 Å²	15	34.6 Å²	34.6	8%	0.079	17%	0.168	C	C	.	.	H	α-helix	trans	-62.7	-36.8	177.2	-172	62.9	0	0	0	113	V365 A749 D755 N757 R763	V365-L759 HydrophobicContact CG1-CD2 4.38Å; A749-L759 HydrophobicContact CB-CD1 4.29Å; D755-L759 WeakPolarHBondContact O-CB 3.49Å; D755-L759 PolarHBondContact O-N 3.09Å; N757-L759 VanDerWaalsContact C-N 3.32Å; L759-R763 WeakPolarHBondContact O-CB 3.37Å; L759-R763 VanDerWaalsContact O-CG 3.3Å; L759-R763 WeakPolarHBondContact O-CG 3.4Å; L759-R763 PolarHBondContact O-N 3.04Å; L759-R763 VanDerWaalsContact O-N 3.15Å
760	F	61.5	Low	62.8	Low	7 Å²	7	36 Å²	36	3%	0.031	17%	0.174	C	C	.	.	H	α-helix	trans	-58.9	-50.4	170.3	177.3	-88.3	0	0	0	111	L372 A373 F376 P756 N757 N758 R763 L764	L372-F760 HydrophobicContact CB-CE2 4.26Å; L372-F760 HydrophobicContact CD2-CE2 4.27Å; L372-F760 HydrophobicContact CG-CE2 4Å; A373-F760 HydrophobicContact CB-CD2 3.69Å; A373-F760 HydrophobicContact CB-CE2 4.03Å; A373-F760 HydrophobicContact CB-CG 4.47Å; F376-F760 HydrophobicContact CD2-CZ 4.27Å; F376-F760 HydrophobicContact CE2-CZ 4.44Å; P756-F760 WeakPolarHBondContact O-CB 3.14Å; P756-F760 PolarHBondContact O-N 3.12Å; N757-F760 PolarHBondContact O-N 3.49Å; N758-F760 VanDerWaalsContact C-N 3.34Å; N758-F760 PolarHBondContact O-N 3.17Å; F760-R763 PolarHBondContact O-N 2.88Å; F760-L764 HydrophobicContact CE1-CD2 4.49Å; F760-L764 PolarHBondContact O-N 2.88Å
761	M	61.9	Low	62.5	Low	0 Å²	0	32 Å²	32	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-66.5	-39.4	-177.6	-161	61.4	74.5	0	0	112.8	Y723 I726 F727 N757 N758 R763 L764 A765 F803 V806 I810	Y723-M761 HydrophobicContact CD1-CB 4.42Å; Y723-M761 WeakPolarHBondContact O-CG 3.12Å; I726-M761 HydrophobicContact CB-CG 4.21Å; I726-M761 HydrophobicContact CG2-CB 4.17Å; I726-M761 HydrophobicContact CG2-CG 3.95Å; F727-M761 HydrophobicContact CB-CG 4.29Å; F727-M761 HydrophobicContact CB-SD 3.9Å; F727-M761 HydrophobicContact CD2-SD 4.07Å; F727-M761 HydrophobicContact CG-SD 4.36Å; N757-M761 PolarHBondContact O-N 3.31Å; N757-M761 VanDerWaalsContact O-N 3.12Å; N758-M761 PolarHBondContact O-N 3.42Å; N758-M761 VanDerWaalsContact O-N 3.15Å; M761-R763 VanDerWaalsContact C-N 3.32Å; M761-R763 PolarHBondContact O-N 3.17Å; M761-L764 PolarHBondContact O-N 2.81Å; M761-L764 HydrophobicContact SD-CD2 3.93Å; M761-A765 WeakPolarHBondContact O-CB 3.47Å; M761-A765 PolarHBondContact O-N 2.96Å; M761-F803 HydrophobicContact CE-CE1 3.77Å; M761-F803 HydrophobicContact CE-CZ 4.39Å; M761-F803 HydrophobicContact SD-CE1 3.93Å; M761-F803 HydrophobicContact SD-CZ 4.29Å; M761-V806 HydrophobicContact CE-CG1 4.08Å; M761-I810 HydrophobicContact CE-CG2 4.16Å
762	V	65.5	Low	62	Low	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-63.1	-39.4	175.4	176.6	0	0	0	0	111.1	I726 L745 L748 A749 N758 A765 Q766	I726-V762 HydrophobicContact CD1-CG2 3.88Å; I726-V762 HydrophobicContact CG1-CG2 4.31Å; I726-V762 VanDerWaalsContact CG2-CA 3.49Å; I726-V762 HydrophobicContact CG2-CB 4.13Å; I726-V762 HydrophobicContact CG2-CG2 3.62Å; L745-V762 WeakPolarHBondContact O-CG1 3.31Å; L748-V762 HydrophobicContact CB-CG2 4.26Å; A749-V762 HydrophobicContact CB-CG1 3.77Å; N758-V762 WeakPolarHBondContact O-CG2 3.26Å; N758-V762 PolarHBondContact O-N 2.76Å; V762-A765 PolarHBondContact O-N 3.03Å; V762-Q766 VanDerWaalsContact O-CG 3.29Å; V762-Q766 WeakPolarHBondContact O-CG 3.25Å; V762-Q766 PolarHBondContact O-N 3.25Å
763	R	67.1	Low	61.8	Low	38 Å²	38	24.5 Å²	24.5	14%	0.143	13%	0.126	C	C	.	.	H	α-helix	trans	-70.9	-39.3	177.7	-72	177	179.8	-176.2	2.8	112.2	Y349 M370 A373 V377 L759 F760 M761 A765 Q766 G767	Y349-R763 HydrophobicContact CD1-CG 4.33Å; Y349-R763 HydrophobicContact CE1-CB 3.98Å; Y349-R763 HydrophobicContact CE1-CG 3.65Å; M370-R763 VanDerWaalsContact CG-NH1 3.31Å; M370-R763 PolarHBondContact SD-NH1 2.75Å; A373-R763 HydrophobicContact CB-CB 4.18Å; V377-R763 HydrophobicContact CG2-CB 4.4Å; V377-R763 WeakPolarHBondContact CG2-O 3.21Å; L759-R763 WeakPolarHBondContact O-CB 3.37Å; L759-R763 VanDerWaalsContact O-CG 3.3Å; L759-R763 WeakPolarHBondContact O-CG 3.4Å; L759-R763 PolarHBondContact O-N 3.04Å; L759-R763 VanDerWaalsContact O-N 3.15Å; F760-R763 PolarHBondContact O-N 2.88Å; M761-R763 VanDerWaalsContact C-N 3.32Å; M761-R763 PolarHBondContact O-N 3.17Å; R763-A765 VanDerWaalsContact C-N 3.32Å; R763-A765 PolarHBondContact O-N 3.31Å; R763-Q766 WeakPolarHBondContact O-CB 3.29Å; R763-Q766 PolarHBondContact O-N 3.24Å; R763-G767 PolarHBondContact O-N 2.66Å
764	L	65.5	Low	61.7	Low	1 Å²	1	23.1 Å²	23.1	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-56.4	-47.8	171.2	-177.3	64.5	0	0	0	110.8	F376 F380 F727 F760 M761 Q766 G767 L768 L818	F376-L764 HydrophobicContact CB-CD1 4.08Å; F376-L764 HydrophobicContact CG-CD1 4.37Å; F380-L764 HydrophobicContact CD2-CD1 4.26Å; F380-L764 HydrophobicContact CE2-CD1 3.64Å; F727-L764 HydrophobicContact CD2-CD2 3.97Å; F727-L764 HydrophobicContact CD2-CG 4.48Å; F727-L764 HydrophobicContact CE2-CD2 3.96Å; F727-L764 HydrophobicContact CE2-CG 4.42Å; F760-L764 HydrophobicContact CE1-CD2 4.49Å; F760-L764 PolarHBondContact O-N 2.88Å; M761-L764 PolarHBondContact O-N 2.81Å; M761-L764 HydrophobicContact SD-CD2 3.93Å; L764-Q766 PolarHBondContact O-N 3.02Å; L764-G767 PolarHBondContact O-N 3.14Å; L764-L768 WeakPolarHBondContact O-CG 3.47Å; L764-L768 PolarHBondContact O-N 3.4Å; L764-L818 HydrophobicContact CD1-CD1 4.25Å; L764-L818 HydrophobicContact CD2-CD1 3.81Å; L764-L818 HydrophobicContact CD2-CD2 4.36Å
765	A	65.8	Low	61.6	Low	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-60.7	-41.7	175.1	0	0	0	0	0	112.9	I726 L745 M761 V762 R763 G767 L768 T769	I726-A765 HydrophobicContact CG2-CB 4.21Å; I726-A765 WeakPolarHBondContact O-CB 3.4Å; L745-A765 HydrophobicContact CD1-CB 4.29Å; L745-A765 HydrophobicContact CD2-CB 4.01Å; M761-A765 WeakPolarHBondContact O-CB 3.47Å; M761-A765 PolarHBondContact O-N 2.96Å; V762-A765 PolarHBondContact O-N 3.03Å; R763-A765 VanDerWaalsContact C-N 3.32Å; R763-A765 PolarHBondContact O-N 3.31Å; A765-G767 PolarHBondContact O-N 2.88Å; A765-L768 PolarHBondContact O-N 2.96Å; A765-T769 WeakPolarHBondContact O-CG2 3.48Å; A765-T769 PolarHBondContact O-N 3.31Å
766	Q	65.7	Low	61.2	Low	9 Å²	9	10.6 Å²	10.6	4%	0.042	6%	0.058	C	C	.	.	H	α-helix	trans	-60.2	-44.2	173.9	-72.7	168.4	-3.8	0	0	111.7	L745 V762 R763 L764 L768 T769 H770	L745-Q766 HydrophobicContact CB-CG 3.8Å; L745-Q766 HydrophobicContact CD1-CG 4.13Å; L745-Q766 PolarHBondContact O-NE2 3.33Å; V762-Q766 VanDerWaalsContact O-CG 3.29Å; V762-Q766 WeakPolarHBondContact O-CG 3.25Å; V762-Q766 PolarHBondContact O-N 3.25Å; R763-Q766 WeakPolarHBondContact O-CB 3.29Å; R763-Q766 PolarHBondContact O-N 3.24Å; L764-Q766 PolarHBondContact O-N 3.02Å; Q766-L768 PolarHBondContact O-N 3.41Å; Q766-T769 PolarHBondContact O-N 3.36Å; Q766-T769 PolarHBondContact O-OG1 3.06Å; Q766-H770 PolarHBondContact O-CD2 3.26Å; Q766-H770 VanDerWaalsContact O-CD2 3.26Å; Q766-H770 PolarHBondContact O-N 3.22Å
767	G	61.2	Low	60.8	Low	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-56.6	-46.8	174.4	0	0	0	0	0	112.5	R763 L764 A765 H770 L771	R763-G767 PolarHBondContact O-N 2.66Å; L764-G767 PolarHBondContact O-N 3.14Å; A765-G767 PolarHBondContact O-N 2.88Å; G767-H770 CarbonylContact O-C 3.39Å; G767-H770 PolarHBondContact O-N 2.92Å; G767-H770 VanDerWaalsContact O-N 3.16Å; G767-L771 PolarHBondContact O-N 3.12Å; G767-L771 VanDerWaalsContact O-N 3.14Å
768	L	63.4	Low	60.3	Low	1 Å²	1	6.8 Å²	6.8	1%	0.005	4%	0.035	C	C	.	.	H	α-helix	trans	-61.8	-42.6	176.1	-67.4	174.2	0	0	0	112.6	F380 F727 M731 S734 G735 L764 A765 Q766 H770 L771 L821	F380-L768 HydrophobicContact CD1-CD2 4.18Å; F380-L768 HydrophobicContact CD2-CD2 4.29Å; F380-L768 HydrophobicContact CE1-CD2 4.18Å; F380-L768 HydrophobicContact CE2-CD2 4.31Å; F380-L768 HydrophobicContact CG-CD2 4.24Å; F380-L768 HydrophobicContact CZ-CD2 4.26Å; F727-L768 HydrophobicContact CD2-CD1 4.23Å; F727-L768 HydrophobicContact CE2-CD1 3.61Å; F727-L768 HydrophobicContact CZ-CD1 4.2Å; M731-L768 HydrophobicContact CG-CD1 4.36Å; S734-L768 WeakPolarHBondContact CA-O 3.39Å; G735-L768 PolarHBondContact N-O 3.45Å; G735-L768 VanDerWaalsContact N-O 3.11Å; L764-L768 WeakPolarHBondContact O-CG 3.47Å; L764-L768 PolarHBondContact O-N 3.4Å; A765-L768 PolarHBondContact O-N 2.96Å; Q766-L768 PolarHBondContact O-N 3.41Å; L768-H770 PolarHBondContact O-N 3.49Å; L768-L771 VanDerWaalsContact O-CB 3.24Å; L768-L771 WeakPolarHBondContact O-CB 3.46Å; L768-L771 PolarHBondContact O-N 3.24Å; L768-L821 HydrophobicContact CD2-CD2 3.63Å
769	T	63.9	Low	59.5	Low	2 Å²	2	7.4 Å²	7.4	1%	0.012	4%	0.039	C	C	.	.	H	α-helix	trans	-62.5	-16.9	176.9	57.5	0	0	0	0	114.5	N737 L741 L745 A765 Q766	N737-T769 WeakPolarHBondContact CA-O 3.41Å; N737-T769 PolarHBondContact N-O 3.42Å; N737-T769 VanDerWaalsContact N-O 3.13Å; L741-T769 HydrophobicContact CD2-CG2 3.67Å; L741-T769 HydrophobicContact CG-CG2 4.06Å; L745-T769 HydrophobicContact CD1-CG2 3.63Å; A765-T769 WeakPolarHBondContact O-CG2 3.48Å; A765-T769 PolarHBondContact O-N 3.31Å; Q766-T769 PolarHBondContact O-N 3.36Å; Q766-T769 PolarHBondContact O-OG1 3.06Å
770	H	61.1	Low	58.9	Low	33 Å²	33	6.8 Å²	6.8	15%	0.153	4%	0.036	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.7	21.2	176.6	-62.6	-70.3	0	0	0	113	I348 V381 N737 Q766 G767 L768 G772 K773	I348-H770 WeakPolarHBondContact CG2-CD2 3.15Å; V381-H770 HydrophobicContact CG2-CB 4.37Å; N737-H770 PolarHBondContact OD1-CE1 2.6Å; N737-H770 PolarHBondContact OD1-ND1 3.12Å; Q766-H770 PolarHBondContact O-CD2 3.26Å; Q766-H770 VanDerWaalsContact O-CD2 3.26Å; Q766-H770 PolarHBondContact O-N 3.22Å; G767-H770 CarbonylContact O-C 3.39Å; G767-H770 PolarHBondContact O-N 2.92Å; G767-H770 VanDerWaalsContact O-N 3.16Å; L768-H770 PolarHBondContact O-N 3.49Å; H770-G772 PolarHBondContact O-N 3.48Å; H770-K773 WeakPolarHBondContact O-CA 3.41Å; H770-K773 PolarHBondContact O-N 3.37Å
771	L	57.4	Low	58.3	Low	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.04	C	C	.	.	G	3₁₀ helix	trans	-48.8	126.3	178.3	-170.5	74	0	0	0	111.9	F380 G767 L768 K773 G774 L776 L778 M825	F380-L771 HydrophobicContact CB-CD1 3.91Å; F380-L771 HydrophobicContact CD1-CD1 3.59Å; F380-L771 HydrophobicContact CG-CD1 4.13Å; F380-L771 WeakPolarHBondContact O-CA 3.43Å; G767-L771 PolarHBondContact O-N 3.12Å; G767-L771 VanDerWaalsContact O-N 3.14Å; L768-L771 VanDerWaalsContact O-CB 3.24Å; L768-L771 WeakPolarHBondContact O-CB 3.46Å; L768-L771 PolarHBondContact O-N 3.24Å; L771-K773 PolarHBondContact O-N 3.48Å; L771-G774 PolarHBondContact O-N 3.41Å; L771-L776 HydrophobicContact CD2-CB 4.07Å; L771-L776 HydrophobicContact CG-CB 4.08Å; L771-L778 HydrophobicContact CD2-CD1 4.49Å; L771-L778 HydrophobicContact CD2-CD2 3.8Å; L771-L778 HydrophobicContact CD2-CG 3.94Å; L771-M825 HydrophobicContact CD1-CE 3.82Å; L771-M825 HydrophobicContact CD1-SD 4.13Å; L771-M825 HydrophobicContact CD2-CE 4.41Å; L771-M825 HydrophobicContact CD2-CG 4.25Å; L771-M825 HydrophobicContact CG-CE 4.23Å
772	G	54.1	Low	57.6	Low	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.045	C	C	.	.	G	3₁₀ helix	trans	53	35.6	-176.6	0	0	0	0	0	113.3	F380 V381 F385 H770 G774 T775	F380-G772 PolarHBondContact O-N 2.91Å; V381-G772 CarbonylContact O-C 3.6Å; F385-G772 WeakPolarHBondContact CE2-O 3.43Å; H770-G772 PolarHBondContact O-N 3.48Å; G772-G774 PolarHBondContact O-N 2.98Å; G772-T775 WeakPolarHBondContact O-CB 3.45Å; G772-T775 PolarHBondContact O-N 3.43Å; G772-T775 PolarHBondContact O-OG1 3.48Å
773	K	56	Low	56.4	Low	7 Å²	7	9.5 Å²	9.5	3%	0.03	5%	0.05	C	C	.	.	G	3₁₀ helix	trans	58.1	6.8	-173.1	-50.5	174	-168.4	175.3	0	115	I339 M340 E341 K343 V381 N382 F385 H770 L771	I339-K773 HydrophobicContact CG2-CB 3.89Å; I339-K773 HydrophobicContact CG2-CD 3.52Å; I339-K773 HydrophobicContact CG2-CG 4.3Å; I339-K773 WeakPolarHBondContact O-CD 3Å; I339-K773 PolarHBondContact O-NZ 2.89Å; M340-K773 PolarHBondContact O-NZ 3.16Å; M340-K773 VanDerWaalsContact O-NZ 3.09Å; E341-K773 PolarHBondContact O-NZ 3.07Å; K343-K773 HydrophobicContact CD-CG 4.4Å; V381-K773 HydrophobicContact CG2-CG 4.15Å; V381-K773 VanDerWaalsContact O-CG 3.3Å; V381-K773 WeakPolarHBondContact O-CG 3.26Å; V381-K773 PolarHBondContact O-N 2.89Å; V381-K773 VanDerWaalsContact O-N 3.12Å; N382-K773 VanDerWaalsContact OD1-CE 3.27Å; N382-K773 WeakPolarHBondContact OD1-CE 2.83Å; F385-K773 HydrophobicContact CD1-CD 4.41Å; F385-K773 HydrophobicContact CD2-CD 4.16Å; F385-K773 HydrophobicContact CD2-CG 4.39Å; F385-K773 HydrophobicContact CE1-CD 4.15Å; F385-K773 HydrophobicContact CE2-CB 4.37Å; F385-K773 HydrophobicContact CE2-CD 3.92Å; F385-K773 HydrophobicContact CE2-CG 3.95Å; F385-K773 HydrophobicContact CG-CD 4.43Å; F385-K773 HydrophobicContact CZ-CB 4.41Å; F385-K773 HydrophobicContact CZ-CD 3.91Å; F385-K773 HydrophobicContact CZ-CG 4.26Å; H770-K773 WeakPolarHBondContact O-CA 3.41Å; H770-K773 PolarHBondContact O-N 3.37Å; L771-K773 PolarHBondContact O-N 3.48Å
774	G	56	Low	55.3	Low	13 Å²	13	10.4 Å²	10.4	13%	0.134	6%	0.057	C	C	.	.	G	3₁₀ helix	trans	116.1	2.1	-173.1	0	0	0	0	0	115.5	G735 L771 G772	G735-G774 CarbonylContact O-C 3.36Å; G735-G774 WeakPolarHBondContact O-CA 3.43Å; L771-G774 PolarHBondContact O-N 3.41Å; G772-G774 PolarHBondContact O-N 2.98Å
775	T	52.3	Low	54.5	Low	2 Å²	2	13.4 Å²	13.4	1%	0.012	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-11.6	-175	62.9	0	0	0	0	114.7	F330 L333 I339 F385 G772 R828 L873	F330-T775 WeakPolarHBondContact CE2-OG1 3.39Å; F330-T775 VanDerWaalsContact CZ-OG1 3.23Å; F330-T775 WeakPolarHBondContact CZ-OG1 3.46Å; L333-T775 HydrophobicContact CD2-CG2 4.22Å; I339-T775 HydrophobicContact CD1-CG2 4.43Å; F385-T775 HydrophobicContact CZ-CG2 4.35Å; G772-T775 WeakPolarHBondContact O-CB 3.45Å; G772-T775 PolarHBondContact O-N 3.43Å; G772-T775 PolarHBondContact O-OG1 3.48Å; T775-R828 WeakPolarHBondContact O-CB 3.41Å; T775-R828 WeakPolarHBondContact O-CG 3.16Å; T775-R828 PolarHBondContact O-N 3.48Å; T775-L873 HydrophobicContact CG2-CD1 4.15Å; T775-L873 HydrophobicContact CG2-CD2 4.16Å
776	L	54.8	Low	53.4	Low	1 Å²	1	15.8 Å²	15.8	1%	0.005	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	143.1	-176.1	-59.1	178.6	0	0	0	111.2	F330 A383 G735 L771 M825 P827	F330-L776 HydrophobicContact CE2-CD2 3.65Å; F330-L776 HydrophobicContact CE2-CG 4.43Å; F330-L776 HydrophobicContact CZ-CD2 3.92Å; F330-L776 HydrophobicContact CZ-CG 4.34Å; A383-L776 HydrophobicContact CB-CD1 3.82Å; G735-L776 VanDerWaalsContact CA-O 3.25Å; G735-L776 WeakPolarHBondContact CA-O 3.35Å; L771-L776 HydrophobicContact CD2-CB 4.07Å; L771-L776 HydrophobicContact CG-CB 4.08Å; L776-M825 HydrophobicContact CD1-CE 3.56Å; L776-P827 HydrophobicContact CD2-CB 3.9Å
777	T	51.7	Low	52.6	Low	9 Å²	9	15.6 Å²	15.6	6%	0.055	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	160.9	-180	18	0	0	0	0	112.2	A824 M825 Q826 R828	T777-A824 VanDerWaalsContact O-O 3.13Å; T777-M825 WeakPolarHBondContact O-CA 3.49Å; T777-Q826 PolarHBondContact N-O 3.39Å; T777-Q826 PolarHBondContact O-N 3.45Å; T777-Q826 PolarHBondContact OG1-O 3.08Å; T777-R828 HydrophobicContact CG2-CG 3.65Å; T777-R828 VanDerWaalsContact CG2-CZ 3.47Å; T777-R828 VanDerWaalsContact OG1-CG 3.29Å; T777-R828 WeakPolarHBondContact OG1-CG 3.44Å
778	L	54.7	Low	52.1	Low	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.087	C	C	.	.			trans	-112.2	23.5	174.6	-57	177.9	0	0	0	112.7	V699 S700 S734 L771 P780 L821 A824 M825	V699-L778 HydrophobicContact CG2-CB 3.75Å; V699-L778 VanDerWaalsContact CG2-O 3.23Å; V699-L778 WeakPolarHBondContact CG2-O 3.47Å; S700-L778 PolarHBondContact OG-N 3.06Å; S700-L778 VanDerWaalsContact OG-N 3.13Å; S734-L778 VanDerWaalsContact CB-CD1 3.49Å; S734-L778 WeakPolarHBondContact OG-CD1 3.4Å; L771-L778 HydrophobicContact CD2-CD1 4.49Å; L771-L778 HydrophobicContact CD2-CD2 3.8Å; L771-L778 HydrophobicContact CD2-CG 3.94Å; L778-P780 VanDerWaalsContact O-CD 3.27Å; L778-P780 WeakPolarHBondContact O-CD 3.43Å; L778-L821 HydrophobicContact CD1-CD1 3.89Å; L778-L821 HydrophobicContact CD1-CD2 3.88Å; L778-L821 HydrophobicContact CD1-CG 3.99Å; L778-L821 HydrophobicContact CD2-CD1 4.15Å; L778-L821 HydrophobicContact CD2-CD2 4.42Å; L778-L821 HydrophobicContact CD2-CG 3.86Å; L778-A824 WeakPolarHBondContact CA-O 3.47Å; L778-A824 HydrophobicContact CD2-CB 4.48Å; L778-M825 HydrophobicContact CD2-CB 4.45Å; L778-M825 HydrophobicContact CD2-CG 3.47Å; L778-M825 VanDerWaalsContact CD2-CG 3.47Å
779	C	46.8	Very low	51.6	Low	17 Å²	17	17.3 Å²	17.3	12%	0.115	9%	0.087	C	C	.	.			trans	-73.1	123.2	-178.5	-65.2	0	0	0	0	109.7	Y781 H782	C779-Y781 PolarHBondContact O-N 3.03Å; C779-H782 PolarHBondContact O-CE1 3.45Å; C779-H782 PolarHBondContact O-NE2 3.35Å
780	P	51.3	Low	51.1	Low	2 Å²	2	18.5 Å²	18.5	1%	0.013	9%	0.093	C	C	.	.	S	Bend	trans	-80.6	-5.1	173.5	-16.4	33.6	0	0	0	113.4	M662 V699 L778 S789 A792 V793 L796	M662-P780 HydrophobicContact CE-CG 4.08Å; V699-P780 HydrophobicContact CG1-CG 4.46Å; L778-P780 VanDerWaalsContact O-CD 3.27Å; L778-P780 WeakPolarHBondContact O-CD 3.43Å; P780-S789 WeakPolarHBondContact O-CB 3.48Å; P780-S789 PolarHBondContact O-N 3.42Å; P780-A792 HydrophobicContact CB-CB 3.94Å; P780-V793 HydrophobicContact CB-CG2 3.48Å; P780-V793 VanDerWaalsContact CB-CG2 3.48Å; P780-V793 HydrophobicContact CG-CG2 4.25Å; P780-L796 HydrophobicContact CG-CD1 3.35Å; P780-L796 HydrophobicContact CG-CG 4.3Å
781	Y	47.9	Very low	50.7	Low	30 Å²	30	17.8 Å²	17.8	12%	0.118	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	131.7	-177.4	-72.8	-97.5	0	0	0	110.4	M662 G663 C779 R785 L787 M788	M662-Y781 HydrophobicContact CB-CE2 3.75Å; M662-Y781 WeakPolarHBondContact CB-OH 3.46Å; M662-Y781 HydrophobicContact CE-CD2 4.13Å; M662-Y781 HydrophobicContact CE-CE2 3.7Å; M662-Y781 HydrophobicContact SD-CE2 4.26Å; G663-Y781 PolarHBondContact N-OH 2.7Å; C779-Y781 PolarHBondContact O-N 3.03Å; Y781-R785 HydrophobicContact CD1-CG 4.38Å; Y781-R785 WeakPolarHBondContact CD1-O 3.28Å; Y781-R785 HydrophobicContact CG-CG 4.34Å; Y781-L787 VanDerWaalsContact CA-O 3.29Å; Y781-L787 WeakPolarHBondContact CA-O 3.33Å; Y781-M788 HydrophobicContact CD1-CB 4.29Å; Y781-M788 HydrophobicContact CE1-CB 3.98Å; Y781-M788 HydrophobicContact CE1-CE 4.35Å; Y781-M788 HydrophobicContact CE1-CG 4.4Å; Y781-M788 WeakPolarHBondContact OH-CE 3.28Å
782	H	46.8	Very low	50.4	Low	20 Å²	20	17.8 Å²	17.8	9%	0.093	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	165.2	-179.4	-61.9	107	0	0	0	110.5	C779 L787 S789 Q826	C779-H782 PolarHBondContact O-CE1 3.45Å; C779-H782 PolarHBondContact O-NE2 3.35Å; H782-L787 PolarHBondContact N-O 2.85Å; H782-L787 PolarHBondContact O-N 3.33Å; H782-L787 VanDerWaalsContact O-N 3.14Å; H782-S789 PolarHBondContact ND1-OG 2.84Å; H782-Q826 PolarHBondContact CE1-NE2 3.37Å; H782-Q826 PolarHBondContact CE1-OE1 3.28Å; H782-Q826 PolarHBondContact NE2-OE1 3.23Å
783	S	40.7	Very low	50.5	Low	15 Å²	15	18 Å²	18	11%	0.105	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	73.8	-178.5	-55.3	0	0	0	0	112.6	R267 R785 Q786 E895	R267-S783 VanDerWaalsContact CZ-O 3.31Å; R267-S783 PolarHBondContact NH1-O 3.07Å; R267-S783 PolarHBondContact NH2-O 3.25Å; S783-R785 PolarHBondContact O-N 2.66Å; S783-Q786 PolarHBondContact O-N 3.12Å; S783-E895 VanDerWaalsContact CA-OE1 3.3Å; S783-E895 WeakPolarHBondContact CA-OE1 3.26Å; S783-E895 WeakPolarHBondContact CA-OE2 3.34Å; S783-E895 PolarHBondContact N-OE1 3.01Å; S783-E895 PolarHBondContact N-OE2 3.22Å
784	D	44	Very low	50.2	Low	56 Å²	56	17.7 Å²	17.7	30%	0.299	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	39.6	177.5	-152	53.5	0	0	0	112.9	Q786 R879 I893 E895	D784-Q786 PolarHBondContact O-N 3.07Å; D784-Q786 VanDerWaalsContact O-N 3.16Å; D784-R879 IonicContact OD1-CZ 3.75Å; D784-R879 VanDerWaalsContact OD1-CZ 3.3Å; D784-R879 IonicContact OD1-NE 3.87Å; D784-R879 PolarHBondContact OD1-NE 2.94Å; D784-R879 IonicContact OD1-NH2 3.52Å; D784-R879 PolarHBondContact OD1-NH2 3.28Å; D784-R879 IonicContact OD2-CZ 3Å; D784-R879 IonicContact OD2-NE 3.88Å; D784-R879 IonicContact OD2-NH2 2.62Å; D784-R879 PolarHBondContact OD2-NH2 2.82Å; D784-I893 HydrophobicContact CB-CD1 4.18Å; D784-E895 PolarHBondContact N-OE1 2.66Å
785	R	48.5	Very low	49.9	Very low	64 Å²	64	17.1 Å²	17.1	24%	0.242	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.2	9.9	176.6	-149.2	-177.7	-172.9	160.1	-10.2	116.3	E665 Y781 S783	E665-R785 IonicContact OE1-CZ 3.68Å; E665-R785 IonicContact OE1-NH1 3.24Å; E665-R785 PolarHBondContact OE1-NH1 3.25Å; E665-R785 IonicContact OE1-NH2 2.81Å; Y781-R785 HydrophobicContact CD1-CG 4.38Å; Y781-R785 WeakPolarHBondContact CD1-O 3.28Å; Y781-R785 HydrophobicContact CG-CG 4.34Å; S783-R785 PolarHBondContact O-N 2.66Å
786	Q	43.6	Very low	50.1	Low	51 Å²	51	17 Å²	17	24%	0.238	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-23.3	-176.5	-84.2	-174.9	0.3	0	0	115.1	T234 R267 M271 S783 D784	T234-Q786 VanDerWaalsContact CG2-OE1 3.28Å; R267-Q786 VanDerWaalsContact NH2-CD 3.28Å; M271-Q786 HydrophobicContact CE-CB 3.85Å; M271-Q786 HydrophobicContact CE-CG 4.12Å; S783-Q786 PolarHBondContact O-N 3.12Å; D784-Q786 PolarHBondContact O-N 3.07Å; D784-Q786 VanDerWaalsContact O-N 3.16Å
787	L	48.4	Very low	50	Low	5 Å²	5	17.1 Å²	17.1	3%	0.026	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	116	172.4	-66.4	178.8	0	0	0	110.2	R267 L270 M271 Y781 H782 S789	R267-L787 HydrophobicContact CG-CD1 4.31Å; R267-L787 HydrophobicContact CG-CD2 4.09Å; R267-L787 HydrophobicContact CG-CG 4.17Å; R267-L787 WeakPolarHBondContact O-CD2 3.24Å; L270-L787 HydrophobicContact CB-CD2 3.83Å; L270-L787 HydrophobicContact CD1-CD1 4.31Å; M271-L787 HydrophobicContact CG-CD2 3.8Å; Y781-L787 VanDerWaalsContact CA-O 3.29Å; Y781-L787 WeakPolarHBondContact CA-O 3.33Å; H782-L787 PolarHBondContact N-O 2.85Å; H782-L787 PolarHBondContact O-N 3.33Å; H782-L787 VanDerWaalsContact O-N 3.14Å; L787-S789 PolarHBondContact O-N 2.95Å
788	M	51.3	Low	50.2	Low	36 Å²	36	16.7 Å²	16.7	18%	0.177	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	106	168.5	-176.1	-166.7	-71.3	0	0	109.2	A601 Y781 Q790 V793	A601-M788 HydrophobicContact CB-CE 4.14Å; Y781-M788 HydrophobicContact CD1-CB 4.29Å; Y781-M788 HydrophobicContact CE1-CB 3.98Å; Y781-M788 HydrophobicContact CE1-CE 4.35Å; Y781-M788 HydrophobicContact CE1-CG 4.4Å; Y781-M788 WeakPolarHBondContact OH-CE 3.28Å; M788-Q790 PolarHBondContact O-N 3.4Å; M788-V793 HydrophobicContact CG-CG2 3.56Å; M788-V793 HydrophobicContact SD-CG2 3.78Å
789	S	52.5	Low	50.2	Low	1 Å²	1	16.7 Å²	16.7	1%	0.007	8%	0.082	C	C	.	.			trans	-69.3	94.7	171.5	-60.3	0	0	0	0	109.9	P780 H782 L787 V791 A792 V793	P780-S789 WeakPolarHBondContact O-CB 3.48Å; P780-S789 PolarHBondContact O-N 3.42Å; H782-S789 PolarHBondContact ND1-OG 2.84Å; L787-S789 PolarHBondContact O-N 2.95Å; S789-V791 VanDerWaalsContact C-N 3.27Å; S789-V791 PolarHBondContact O-N 3.26Å; S789-V791 VanDerWaalsContact O-N 3.16Å; S789-A792 WeakPolarHBondContact O-CA 3.47Å; S789-A792 WeakPolarHBondContact O-CB 3.31Å; S789-A792 PolarHBondContact O-N 3.48Å; S789-V793 PolarHBondContact O-N 3.31Å
790	Q	54	Low	50.5	Low	26 Å²	26	15.9 Å²	15.9	12%	0.121	8%	0.076	C	C	.	.	H	α-helix	trans	-46.8	-44.5	-175.2	-163	80.7	-40.7	0	0	114.1	V527 L567 M788 A792 V793 A794	V527-Q790 HydrophobicContact CB-CG 4.06Å; V527-Q790 HydrophobicContact CG1-CB 4.21Å; V527-Q790 HydrophobicContact CG1-CG 3.72Å; V527-Q790 HydrophobicContact CG2-CG 3.5Å; V527-Q790 VanDerWaalsContact CG2-CG 3.5Å; L567-Q790 VanDerWaalsContact CD2-CD 3.48Å; L567-Q790 HydrophobicContact CD2-CG 4Å; L567-Q790 PolarHBondContact O-NE2 3.26Å; M788-Q790 PolarHBondContact O-N 3.4Å; Q790-A792 VanDerWaalsContact C-N 3.32Å; Q790-A792 PolarHBondContact O-N 3.42Å; Q790-V793 PolarHBondContact O-N 3.26Å; Q790-A794 PolarHBondContact O-N 2.99Å
791	V	51.2	Low	50.5	Low	19 Å²	19	15.9 Å²	15.9	12%	0.115	8%	0.076	C	C	.	.	H	α-helix	trans	-63.2	-32.7	177.4	-67.9	0	0	0	0	113.6	A490 V527 S789 G795	A490-V791 HydrophobicContact CB-CG1 4.14Å; V527-V791 HydrophobicContact CG1-CG1 3.82Å; S789-V791 VanDerWaalsContact C-N 3.27Å; S789-V791 PolarHBondContact O-N 3.26Å; S789-V791 VanDerWaalsContact O-N 3.16Å; V791-G795 PolarHBondContact O-N 3.19Å
792	A	52.8	Low	50.7	Low	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-78.4	-33.8	178.2	0	0	0	0	0	111.8	P780 S789 Q790 G795 L796 A823 A824	P780-A792 HydrophobicContact CB-CB 3.94Å; S789-A792 WeakPolarHBondContact O-CA 3.47Å; S789-A792 WeakPolarHBondContact O-CB 3.31Å; S789-A792 PolarHBondContact O-N 3.48Å; Q790-A792 VanDerWaalsContact C-N 3.32Å; Q790-A792 PolarHBondContact O-N 3.42Å; A792-G795 PolarHBondContact O-N 3.08Å; A792-L796 PolarHBondContact O-N 2.83Å; A792-A823 WeakPolarHBondContact CA-O 3.48Å; A792-A824 HydrophobicContact CB-CB 3.96Å
793	V	55.2	Low	50.9	Low	4 Å²	4	13.5 Å²	13.5	2%	0.024	7%	0.066	C	C	.	.	H	α-helix	trans	-64.5	-44.9	169	177.1	0	0	0	0	110.1	L567 L659 P780 M788 S789 Q790 G795 L796 L797	L567-V793 HydrophobicContact CD1-CG1 4.36Å; L567-V793 HydrophobicContact CD2-CB 4.22Å; L567-V793 HydrophobicContact CD2-CG1 3.94Å; L659-V793 HydrophobicContact CD2-CG1 4.16Å; P780-V793 HydrophobicContact CB-CG2 3.48Å; P780-V793 VanDerWaalsContact CB-CG2 3.48Å; P780-V793 HydrophobicContact CG-CG2 4.25Å; M788-V793 HydrophobicContact CG-CG2 3.56Å; M788-V793 HydrophobicContact SD-CG2 3.78Å; S789-V793 PolarHBondContact O-N 3.31Å; Q790-V793 PolarHBondContact O-N 3.26Å; V793-G795 PolarHBondContact O-N 3.09Å; V793-L796 PolarHBondContact O-N 2.97Å; V793-L797 HydrophobicContact CG1-CD1 3.81Å; V793-L797 HydrophobicContact CG1-CG 4.25Å; V793-L797 WeakPolarHBondContact O-CB 3.49Å; V793-L797 WeakPolarHBondContact O-CG 3.36Å; V793-L797 PolarHBondContact O-N 3.05Å
794	A	50.3	Low	51.5	Low	1 Å²	1	14.4 Å²	14.4	1%	0.008	7%	0.07	C	C	.	.	H	α-helix	trans	-56.9	-50.2	173.9	0	0	0	0	0	112	M524 V527 L564 Q790 L796 L797 T798	M524-A794 HydrophobicContact CG-CB 4.25Å; V527-A794 HydrophobicContact CG2-CB 4.09Å; L564-A794 HydrophobicContact CD1-CB 4.05Å; L564-A794 HydrophobicContact CD2-CB 3.76Å; L564-A794 HydrophobicContact CG-CB 4.45Å; Q790-A794 PolarHBondContact O-N 2.99Å; A794-L796 PolarHBondContact O-N 3.14Å; A794-L797 PolarHBondContact O-N 3.49Å; A794-L797 VanDerWaalsContact O-N 3.13Å; A794-T798 WeakPolarHBondContact O-CG2 3.28Å; A794-T798 PolarHBondContact O-N 3.06Å
795	G	50	Low	51.9	Low	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-53.9	-50.4	175.8	0	0	0	0	0	113.1	V791 A792 V793 L797 T798 G820	V791-G795 PolarHBondContact O-N 3.19Å; A792-G795 PolarHBondContact O-N 3.08Å; V793-G795 PolarHBondContact O-N 3.09Å; G795-L797 PolarHBondContact O-N 3.28Å; G795-T798 PolarHBondContact O-N 3.36Å; G795-T798 PolarHBondContact O-OG1 3.37Å; G795-G820 WeakPolarHBondContact CA-O 3.34Å
796	L	55.4	Low	52.2	Low	1 Å²	1	9.6 Å²	9.6	1%	0.005	5%	0.049	C	C	.	.	H	α-helix	trans	-62.8	-38.8	175.2	-74.4	-174.7	0	0	0	113.1	L696 V699 M731 P780 A792 V793 A794 V799 L800 L821 A824	L696-L796 HydrophobicContact CD1-CD1 4.19Å; V699-L796 HydrophobicContact CB-CD1 4.42Å; V699-L796 HydrophobicContact CG1-CD1 4.16Å; V699-L796 HydrophobicContact CG2-CD1 4.09Å; V699-L796 HydrophobicContact CG2-CD2 4.44Å; M731-L796 HydrophobicContact SD-CD2 4.26Å; P780-L796 HydrophobicContact CG-CD1 3.35Å; P780-L796 HydrophobicContact CG-CG 4.3Å; A792-L796 PolarHBondContact O-N 2.83Å; V793-L796 PolarHBondContact O-N 2.97Å; A794-L796 PolarHBondContact O-N 3.14Å; L796-V799 PolarHBondContact O-N 3.1Å; L796-L800 HydrophobicContact CB-CD1 4.25Å; L796-L800 WeakPolarHBondContact O-CB 3.22Å; L796-L800 WeakPolarHBondContact O-CD1 3.43Å; L796-L800 WeakPolarHBondContact O-CG 3.45Å; L796-L800 PolarHBondContact O-N 3.29Å; L796-L821 HydrophobicContact CD2-CD1 3.58Å; L796-A824 HydrophobicContact CD2-CB 4.4Å; L796-A824 HydrophobicContact CG-CB 4.18Å
797	L	52.7	Low	52.6	Low	2 Å²	2	13 Å²	13	1%	0.01	6%	0.06	C	C	.	.	H	α-helix	trans	-70.7	-36	-179	-74.4	178.2	0	0	0	113.1	L560 L564 L659 V793 A794 G795 V799 L800 V801	L560-L797 HydrophobicContact CD1-CB 4.24Å; L564-L797 HydrophobicContact CD2-CD1 4.12Å; L659-L797 HydrophobicContact CD1-CD1 4.13Å; L659-L797 HydrophobicContact CD1-CD2 3.93Å; L659-L797 HydrophobicContact CD2-CD1 4.16Å; L659-L797 HydrophobicContact CD2-CD2 4.08Å; L659-L797 HydrophobicContact CD2-CG 4.39Å; L659-L797 HydrophobicContact CG-CD2 4.33Å; V793-L797 HydrophobicContact CG1-CD1 3.81Å; V793-L797 HydrophobicContact CG1-CG 4.25Å; V793-L797 WeakPolarHBondContact O-CB 3.49Å; V793-L797 WeakPolarHBondContact O-CG 3.36Å; V793-L797 PolarHBondContact O-N 3.05Å; A794-L797 PolarHBondContact O-N 3.49Å; A794-L797 VanDerWaalsContact O-N 3.13Å; G795-L797 PolarHBondContact O-N 3.28Å; L797-V799 PolarHBondContact O-N 3.07Å; L797-L800 PolarHBondContact O-N 3.18Å; L797-V801 WeakPolarHBondContact O-CB 3.46Å; L797-V801 WeakPolarHBondContact O-CG2 3.36Å; L797-V801 PolarHBondContact O-N 3.3Å
798	T	55.3	Low	52.8	Low	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-54.8	-41	172.1	72.5	0	0	0	0	111.3	L520 M524 A794 G795 S802 V817	L520-T798 HydrophobicContact CD1-CG2 3.63Å; L520-T798 HydrophobicContact CD2-CG2 4.01Å; L520-T798 HydrophobicContact CG-CG2 3.87Å; M524-T798 HydrophobicContact CE-CG2 4.4Å; M524-T798 HydrophobicContact CG-CG2 4.36Å; M524-T798 HydrophobicContact SD-CG2 3.6Å; M524-T798 VanDerWaalsContact SD-CG2 3.6Å; A794-T798 WeakPolarHBondContact O-CG2 3.28Å; A794-T798 PolarHBondContact O-N 3.06Å; G795-T798 PolarHBondContact O-N 3.36Å; G795-T798 PolarHBondContact O-OG1 3.37Å; T798-S802 WeakPolarHBondContact O-CB 3.26Å; T798-S802 PolarHBondContact O-OG 2.99Å; T798-V817 WeakPolarHBondContact O-CG2 3.17Å
799	V	56.4	Low	52.9	Low	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-73.8	-54.7	178.2	177.4	0	0	0	0	110.4	F727 L796 L797 V801 S802 F803 V817 L818 L821	F727-V799 HydrophobicContact CE1-CG1 3.99Å; F727-V799 HydrophobicContact CZ-CG1 3.82Å; L796-V799 PolarHBondContact O-N 3.1Å; L797-V799 PolarHBondContact O-N 3.07Å; V799-V801 PolarHBondContact O-N 2.95Å; V799-S802 CarbonylContact O-C 3.59Å; V799-S802 WeakPolarHBondContact O-CA 3.48Å; V799-S802 VanDerWaalsContact O-CB 3.26Å; V799-S802 WeakPolarHBondContact O-CB 3.34Å; V799-S802 PolarHBondContact O-N 3.4Å; V799-F803 HydrophobicContact CG1-CD2 3.85Å; V799-F803 HydrophobicContact CG1-CE2 3.69Å; V799-F803 WeakPolarHBondContact O-CD2 3.39Å; V799-F803 PolarHBondContact O-N 2.89Å; V799-V817 WeakPolarHBondContact CG2-O 3.32Å; V799-L818 HydrophobicContact CG1-CD2 4.38Å; V799-L821 HydrophobicContact CG2-CB 4.21Å; V799-L821 HydrophobicContact CG2-CD1 4.32Å
800	L	52.2	Low	53.1	Low	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-62.5	-42.3	-173.5	-78.8	161.6	0	0	0	113.7	L655 L692 L696 M731 L796 L797 S802 F803	L655-L800 HydrophobicContact CD2-CD2 4.39Å; L692-L800 HydrophobicContact CB-CD2 3.78Å; L692-L800 HydrophobicContact CD2-CD2 4.39Å; L696-L800 HydrophobicContact CB-CD1 4.12Å; L696-L800 HydrophobicContact CD1-CD1 3.7Å; L696-L800 HydrophobicContact CD2-CD1 4.09Å; L696-L800 HydrophobicContact CG-CD1 4.19Å; M731-L800 HydrophobicContact CE-CD1 4.32Å; M731-L800 HydrophobicContact CE-CD2 3.67Å; M731-L800 HydrophobicContact CE-CG 4.03Å; L796-L800 HydrophobicContact CB-CD1 4.25Å; L796-L800 WeakPolarHBondContact O-CB 3.22Å; L796-L800 WeakPolarHBondContact O-CD1 3.43Å; L796-L800 WeakPolarHBondContact O-CG 3.45Å; L796-L800 PolarHBondContact O-N 3.29Å; L797-L800 PolarHBondContact O-N 3.18Å; L800-S802 PolarHBondContact O-N 3.2Å; L800-F803 PolarHBondContact O-N 2.93Å; L800-F803 VanDerWaalsContact O-N 3.09Å
801	V	51.7	Low	52.9	Low	2 Å²	2	15.7 Å²	15.7	1%	0.012	8%	0.075	C	C	.	.	H	α-helix	trans	-65.7	-27.9	174.9	175.5	0	0	0	0	110.9	R556 L560 L797 V799 L804	R556-V801 HydrophobicContact CB-CG1 4.43Å; L560-V801 HydrophobicContact CD1-CG2 4.3Å; L560-V801 HydrophobicContact CD2-CB 3.96Å; L560-V801 HydrophobicContact CD2-CG1 4.23Å; L560-V801 HydrophobicContact CD2-CG2 4.02Å; L797-V801 WeakPolarHBondContact O-CB 3.46Å; L797-V801 WeakPolarHBondContact O-CG2 3.36Å; L797-V801 PolarHBondContact O-N 3.3Å; V799-V801 PolarHBondContact O-N 2.95Å; V801-L804 HydrophobicContact CG1-CD1 4.37Å; V801-L804 WeakPolarHBondContact O-CB 3.16Å; V801-L804 PolarHBondContact O-N 3.41Å
802	S	51.6	Low	53.1	Low	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-75.4	-23.1	173.5	-60.3	0	0	0	0	113.7	W557 T798 V799 L800 L804 D805 I810 V817	W557-S802 PolarHBondContact NE1-OG 3.14Å; W557-S802 VanDerWaalsContact NE1-OG 3.13Å; T798-S802 WeakPolarHBondContact O-CB 3.26Å; T798-S802 PolarHBondContact O-OG 2.99Å; V799-S802 CarbonylContact O-C 3.59Å; V799-S802 WeakPolarHBondContact O-CA 3.48Å; V799-S802 VanDerWaalsContact O-CB 3.26Å; V799-S802 WeakPolarHBondContact O-CB 3.34Å; V799-S802 PolarHBondContact O-N 3.4Å; L800-S802 PolarHBondContact O-N 3.2Å; S802-L804 VanDerWaalsContact C-N 3.25Å; S802-L804 PolarHBondContact O-N 3.32Å; S802-D805 PolarHBondContact O-N 3.02Å; S802-I810 WeakPolarHBondContact O-CD1 3.5Å; S802-V817 WeakPolarHBondContact OG-CG2 3.5Å
803	F	51.5	Low	52.9	Low	1 Å²	1	21.1 Å²	21.1	0%	0.004	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-76.6	-5.4	170.9	-85.4	-91.3	0	0	0	113.9	L692 N724 F727 M761 V799 L800 D805 V806 I810 L818	L692-F803 HydrophobicContact CD1-CB 3.54Å; L692-F803 HydrophobicContact CD2-CB 3.7Å; L692-F803 HydrophobicContact CD2-CD1 4.28Å; L692-F803 HydrophobicContact CD2-CG 4.11Å; L692-F803 HydrophobicContact CG-CB 4.27Å; N724-F803 PolarHBondContact ND2-O 2.97Å; N724-F803 VanDerWaalsContact ND2-O 3.09Å; F727-F803 HydrophobicContact CB-CD1 4.26Å; F727-F803 HydrophobicContact CB-CE1 3.63Å; F727-F803 HydrophobicContact CB-CZ 4.07Å; F727-F803 AromaticContact CD1-CD1 3.91Å; F727-F803 HydrophobicContact CD1-CD1 3.91Å; F727-F803 AromaticContact CD1-CD2 3.87Å; F727-F803 HydrophobicContact CD1-CD2 3.87Å; F727-F803 AromaticContact CD1-CE1 3.58Å; F727-F803 HydrophobicContact CD1-CE1 3.58Å; F727-F803 AromaticContact CD1-CE2 3.55Å; F727-F803 HydrophobicContact CD1-CE2 3.55Å; F727-F803 HydrophobicContact CD1-CG 4.08Å; F727-F803 AromaticContact CD1-CZ 3.41Å; F727-F803 HydrophobicContact CD1-CZ 3.41Å; F727-F803 VanDerWaalsContact CD1-CZ 3.41Å; F727-F803 AromaticContact CD2-CE1 3.8Å; F727-F803 HydrophobicContact CD2-CE1 3.8Å; F727-F803 HydrophobicContact CD2-CE2 4.01Å; F727-F803 AromaticContact CD2-CZ 3.3Å; F727-F803 HydrophobicContact CD2-CZ 3.3Å; F727-F803 AromaticContact CE1-CD2 3.67Å; F727-F803 HydrophobicContact CE1-CD2 3.67Å; F727-F803 HydrophobicContact CE1-CE1 4.18Å; F727-F803 AromaticContact CE1-CE2 3.24Å; F727-F803 HydrophobicContact CE1-CE2 3.24Å; F727-F803 HydrophobicContact CE1-CG 4.33Å; F727-F803 AromaticContact CE1-CZ 3.55Å; F727-F803 HydrophobicContact CE1-CZ 3.55Å; F727-F803 HydrophobicContact CE2-CE1 4.37Å; F727-F803 AromaticContact CE2-CE2 3.74Å; F727-F803 HydrophobicContact CE2-CE2 3.74Å; F727-F803 AromaticContact CE2-CZ 3.45Å; F727-F803 HydrophobicContact CE2-CZ 3.45Å; F727-F803 VanDerWaalsContact CE2-CZ 3.45Å; F727-F803 HydrophobicContact CG-CD1 4.1Å; F727-F803 AromaticContact CG-CE1 3.36Å; F727-F803 HydrophobicContact CG-CE1 3.36Å; F727-F803 AromaticContact CG-CE2 3.93Å; F727-F803 HydrophobicContact CG-CE2 3.93Å; F727-F803 AromaticContact CG-CZ 3.28Å; F727-F803 HydrophobicContact CG-CZ 3.28Å; F727-F803 HydrophobicContact CZ-CD2 4.22Å; F727-F803 AromaticContact CZ-CE2 3.36Å; F727-F803 HydrophobicContact CZ-CE2 3.36Å; F727-F803 AromaticContact CZ-CZ 3.58Å; F727-F803 HydrophobicContact CZ-CZ 3.58Å; M761-F803 HydrophobicContact CE-CE1 3.77Å; M761-F803 HydrophobicContact CE-CZ 4.39Å; M761-F803 HydrophobicContact SD-CE1 3.93Å; M761-F803 HydrophobicContact SD-CZ 4.29Å; V799-F803 HydrophobicContact CG1-CD2 3.85Å; V799-F803 HydrophobicContact CG1-CE2 3.69Å; V799-F803 WeakPolarHBondContact O-CD2 3.39Å; V799-F803 PolarHBondContact O-N 2.89Å; L800-F803 PolarHBondContact O-N 2.93Å; L800-F803 VanDerWaalsContact O-N 3.09Å; F803-D805 PolarHBondContact O-N 3.17Å; F803-V806 HydrophobicContact CD1-CG1 3.55Å; F803-V806 HydrophobicContact CE1-CG1 3.86Å; F803-V806 HydrophobicContact CG-CG1 4.49Å; F803-I810 HydrophobicContact CB-CD1 4.21Å; F803-I810 HydrophobicContact CD1-CD1 3.67Å; F803-I810 HydrophobicContact CD2-CD1 3.47Å; F803-I810 VanDerWaalsContact CD2-CD1 3.47Å; F803-I810 HydrophobicContact CE1-CD1 3.75Å; F803-I810 HydrophobicContact CE2-CD1 3.54Å; F803-I810 HydrophobicContact CE2-CG1 4.46Å; F803-I810 HydrophobicContact CG-CD1 3.51Å; F803-I810 HydrophobicContact CZ-CD1 3.67Å; F803-I810 HydrophobicContact CZ-CG2 4.35Å; F803-L818 HydrophobicContact CE2-CD2 3.75Å; F803-L818 HydrophobicContact CZ-CD2 4.02Å
804	L	53	Low	52.7	Low	33 Å²	33	21.6 Å²	21.6	17%	0.173	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-74.1	-7.2	168.5	-66.7	167.3	0	0	0	113.7	R556 V652 L655 A689 V801 S802	R556-L804 PolarHBondContact NH1-O 3.21Å; R556-L804 VanDerWaalsContact NH1-O 3.11Å; V652-L804 HydrophobicContact CG2-CD1 3.82Å; L655-L804 HydrophobicContact CD1-CD1 3.97Å; L655-L804 HydrophobicContact CD1-CD2 4.21Å; L655-L804 HydrophobicContact CD1-CG 4.15Å; A689-L804 HydrophobicContact CB-CD2 4.22Å; V801-L804 HydrophobicContact CG1-CD1 4.37Å; V801-L804 WeakPolarHBondContact O-CB 3.16Å; V801-L804 PolarHBondContact O-N 3.41Å; S802-L804 VanDerWaalsContact C-N 3.25Å; S802-L804 PolarHBondContact O-N 3.32Å
805	D	53	Low	53	Low	19 Å²	19	22 Å²	22	10%	0.102	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-144.6	74	164.1	-175.6	-8.6	0	0	0	109.6	T553 S802 F803 R807 N808 I809	T553-D805 HydrophobicContact CG2-CB 3.64Å; T553-D805 VanDerWaalsContact CG2-OD2 3.28Å; T553-D805 WeakPolarHBondContact CG2-OD2 3.36Å; T553-D805 PolarHBondContact OG1-OD2 2.84Å; S802-D805 PolarHBondContact O-N 3.02Å; F803-D805 PolarHBondContact O-N 3.17Å; D805-R807 PolarHBondContact O-N 3.39Å; D805-R807 VanDerWaalsContact O-N 3.16Å; D805-R807 PolarHBondContact OD1-N 3.12Å; D805-N808 PolarHBondContact OD1-N 3.27Å; D805-N808 PolarHBondContact OD1-ND2 2.83Å; D805-N808 WeakPolarHBondContact OD2-CB 3.3Å; D805-N808 PolarHBondContact OD2-ND2 3.5Å; D805-I809 HydrophobicContact CB-CD1 4.28Å; D805-I809 HydrophobicContact CB-CG1 4.37Å; D805-I809 PolarHBondContact O-N 2.94Å; D805-I809 VanDerWaalsContact O-N 3.16Å
806	V	53.5	Low	53.2	Low	1 Å²	1	22.8 Å²	22.8	1%	0.006	12%	0.116	C	C	.	.	I	π-helix	trans	-55.2	-31.7	178.5	-115.8	0	0	0	0	112.7	E720 Y723 N724 M761 F803 I810 L811	E720-V806 HydrophobicContact CB-CG2 4.41Å; E720-V806 HydrophobicContact CG-CG2 4.35Å; Y723-V806 HydrophobicContact CD2-CB 4.35Å; Y723-V806 HydrophobicContact CD2-CG2 4.4Å; N724-V806 WeakPolarHBondContact OD1-CG1 3.42Å; N724-V806 VanDerWaalsContact OD1-CG2 3.29Å; N724-V806 WeakPolarHBondContact OD1-CG2 3.45Å; M761-V806 HydrophobicContact CE-CG1 4.08Å; F803-V806 HydrophobicContact CD1-CG1 3.55Å; F803-V806 HydrophobicContact CE1-CG1 3.86Å; F803-V806 HydrophobicContact CG-CG1 4.49Å; V806-I810 HydrophobicContact CG1-CD1 4.05Å; V806-I810 PolarHBondContact O-N 3.48Å; V806-L811 WeakPolarHBondContact O-CB 3.46Å; V806-L811 PolarHBondContact O-N 3.16Å
807	R	51.8	Low	53.2	Low	123 Å²	123	23.1 Å²	23.1	46%	0.464	12%	0.118	S	C	.	.	I	π-helix	trans	-76.4	-44.5	-172.2	-68.2	-172.5	-176.3	-178.7	10.4	112.7	E720 D805 L811 G812	E720-R807 VanDerWaalsContact CD-NE 3.35Å; E720-R807 HydrophobicContact CG-CG 4.25Å; E720-R807 IonicContact OE1-CZ 2.7Å; E720-R807 IonicContact OE1-NE 2.98Å; E720-R807 PolarHBondContact OE1-NE 2.92Å; E720-R807 IonicContact OE1-NH1 3.54Å; E720-R807 IonicContact OE1-NH2 2.92Å; E720-R807 PolarHBondContact OE1-NH2 3.34Å; D805-R807 PolarHBondContact O-N 3.39Å; D805-R807 VanDerWaalsContact O-N 3.16Å; D805-R807 PolarHBondContact OD1-N 3.12Å; R807-L811 WeakPolarHBondContact O-CB 3.34Å; R807-G812 PolarHBondContact O-N 3.31Å
808	N	54	Low	53.4	Low	102 Å²	102	23.1 Å²	23.1	55%	0.545	12%	0.118	S	C	.	.	I	π-helix	trans	-87.6	-42.5	-177	-64.2	-48.6	0	0	0	112.5	D805 G812	D805-N808 PolarHBondContact OD1-N 3.27Å; D805-N808 PolarHBondContact OD1-ND2 2.83Å; D805-N808 WeakPolarHBondContact OD2-CB 3.3Å; D805-N808 PolarHBondContact OD2-ND2 3.5Å; N808-G812 WeakPolarHBondContact O-CA 3.39Å
809	I	53.7	Low	53.4	Low	6 Å²	6	23.1 Å²	23.1	3%	0.031	12%	0.118	C	C	.	.	I	π-helix	trans	-78.2	-61.6	-175	-52.6	175.5	0	0	0	110.2	T553 W557 D805 S814 V817	T553-I809 HydrophobicContact CG2-CD1 3.73Å; T553-I809 HydrophobicContact CG2-CG1 3.91Å; W557-I809 HydrophobicContact CH2-CG2 4.44Å; W557-I809 HydrophobicContact CZ2-CG2 3.99Å; D805-I809 HydrophobicContact CB-CD1 4.28Å; D805-I809 HydrophobicContact CB-CG1 4.37Å; D805-I809 PolarHBondContact O-N 2.94Å; D805-I809 VanDerWaalsContact O-N 3.16Å; I809-S814 CarbonylContact O-C 3.51Å; I809-S814 WeakPolarHBondContact O-CA 3.15Å; I809-S814 PolarHBondContact O-N 3.11Å; I809-V817 HydrophobicContact CG2-CG1 4.18Å
810	I	55.3	Low	53.1	Low	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.118	C	C	.	.	I	π-helix	trans	-88.9	-36.1	-165.7	-64.8	149.9	0	0	0	112.8	M761 S802 F803 V806 H815	M761-I810 HydrophobicContact CE-CG2 4.16Å; S802-I810 WeakPolarHBondContact O-CD1 3.5Å; F803-I810 HydrophobicContact CB-CD1 4.21Å; F803-I810 HydrophobicContact CD1-CD1 3.67Å; F803-I810 HydrophobicContact CD2-CD1 3.47Å; F803-I810 VanDerWaalsContact CD2-CD1 3.47Å; F803-I810 HydrophobicContact CE1-CD1 3.75Å; F803-I810 HydrophobicContact CE2-CD1 3.54Å; F803-I810 HydrophobicContact CE2-CG1 4.46Å; F803-I810 HydrophobicContact CG-CD1 3.51Å; F803-I810 HydrophobicContact CZ-CD1 3.67Å; F803-I810 HydrophobicContact CZ-CG2 4.35Å; V806-I810 HydrophobicContact CG1-CD1 4.05Å; V806-I810 PolarHBondContact O-N 3.48Å; I810-H815 PolarHBondContact O-CD2 3.24Å; I810-H815 PolarHBondContact O-NE2 2.87Å
811	L	49.5	Very low	53.2	Low	16 Å²	16	23.2 Å²	23.2	8%	0.084	12%	0.119	C	C	.	.	I	π-helix	trans	-85.2	-14	175.4	-125.2	64.5	0	0	0	113.6	R369 Y723 N757 V806 R807	R369-L811 PolarHBondContact NH2-O 3.16Å; Y723-L811 HydrophobicContact CE2-CD2 4.19Å; N757-L811 HydrophobicContact CB-CD1 4.23Å; N757-L811 HydrophobicContact CB-CD2 3.96Å; N757-L811 HydrophobicContact CB-CG 4.41Å; V806-L811 WeakPolarHBondContact O-CB 3.46Å; V806-L811 PolarHBondContact O-N 3.16Å; R807-L811 WeakPolarHBondContact O-CB 3.34Å
812	G	55.6	Low	53.2	Low	38 Å²	38	23.4 Å²	23.4	39%	0.392	12%	0.12	S	C	.	.	I	π-helix	trans	-96.7	-98.4	-171.7	0	0	0	0	0	112.6	R807 N808 H815	R807-G812 PolarHBondContact O-N 3.31Å; N808-G812 WeakPolarHBondContact O-CA 3.39Å; G812-H815 PolarHBondContact O-CE1 2.99Å
813	K	49.7	Very low	53.2	Low	94 Å²	94	24.3 Å²	24.3	41%	0.409	13%	0.128	S	C	.	.	I	π-helix	trans	-105.4	-48.9	-176.7	-65.1	-176.5	-169.8	172.6	0	113	H405 E513 H815	H405-K813 PolarHBondContact CD2-O 2.83Å; E513-K813 IonicContact OE1-NZ 3.62Å; E513-K813 PolarHBondContact OE1-NZ 3.44Å; E513-K813 IonicContact OE2-NZ 3.66Å; K813-H815 VanDerWaalsContact C-N 3.28Å; K813-H815 PolarHBondContact O-N 3.33Å; K813-H815 PolarHBondContact O-ND1 3.47Å
814	S	50.8	Low	53.2	Low	14 Å²	14	24.3 Å²	24.3	10%	0.098	13%	0.128	C	C	.	.			trans	-91.8	47.8	-152.8	-54.9	0	0	0	0	113.4	Y554 I809 Y816 V817	Y554-S814 PolarHBondContact OH-OG 3.28Å; Y554-S814 VanDerWaalsContact OH-OG 3.06Å; I809-S814 CarbonylContact O-C 3.51Å; I809-S814 WeakPolarHBondContact O-CA 3.15Å; I809-S814 PolarHBondContact O-N 3.11Å; S814-Y816 PolarHBondContact O-N 3.03Å; S814-V817 PolarHBondContact O-N 3.45Å
815	H	56.2	Low	53.4	Low	10 Å²	10	23 Å²	23	5%	0.046	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-58.6	-19.6	179.3	-57.9	79.7	0	0	0	113.2	F376 I810 G812 K813 V817 L818	F376-H815 HydrophobicContact CE2-CB 4.11Å; F376-H815 HydrophobicContact CZ-CB 3.87Å; I810-H815 PolarHBondContact O-CD2 3.24Å; I810-H815 PolarHBondContact O-NE2 2.87Å; G812-H815 PolarHBondContact O-CE1 2.99Å; K813-H815 VanDerWaalsContact C-N 3.28Å; K813-H815 PolarHBondContact O-N 3.33Å; K813-H815 PolarHBondContact O-ND1 3.47Å; H815-V817 VanDerWaalsContact C-N 3.26Å; H815-V817 PolarHBondContact O-N 3.38Å; H815-L818 WeakPolarHBondContact O-CB 3.46Å; H815-L818 WeakPolarHBondContact O-CG 3.35Å; H815-L818 PolarHBondContact O-N 3.01Å
816	Y	54.5	Low	53.6	Low	16 Å²	16	23.5 Å²	23.5	6%	0.063	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-68.1	-20	-178.6	-37.8	-56.8	0	0	0	114.4	H405 L408 S409 L446 F483 S814 L818 Y819	H405-Y816 WeakPolarHBondContact CA-OH 3.04Å; H405-Y816 WeakPolarHBondContact CB-OH 2.98Å; H405-Y816 PolarHBondContact CD2-OH 3.03Å; H405-Y816 VanDerWaalsContact CD2-OH 3.3Å; H405-Y816 PolarHBondContact O-OH 2.73Å; L408-Y816 HydrophobicContact CB-CE1 3.7Å; L408-Y816 WeakPolarHBondContact CB-OH 3.4Å; L408-Y816 HydrophobicContact CD1-CE1 4.26Å; L408-Y816 HydrophobicContact CD1-CE2 3.99Å; L408-Y816 HydrophobicContact CD2-CD1 3.54Å; L408-Y816 HydrophobicContact CD2-CD2 4.34Å; L408-Y816 HydrophobicContact CD2-CE1 3.38Å; L408-Y816 HydrophobicContact CD2-CE2 4.18Å; L408-Y816 HydrophobicContact CD2-CG 4.05Å; L408-Y816 HydrophobicContact CG-CE1 3.91Å; S409-Y816 VanDerWaalsContact OG-CE1 3.29Å; S409-Y816 WeakPolarHBondContact OG-CE1 3.34Å; L446-Y816 HydrophobicContact CD2-CG 4.37Å; F483-Y816 WeakPolarHBondContact CE1-O 3.42Å; S814-Y816 PolarHBondContact O-N 3.03Å; Y816-L818 PolarHBondContact O-N 2.78Å; Y816-L818 VanDerWaalsContact O-N 3.15Å; Y816-Y819 HydrophobicContact CD1-CD2 4.48Å; Y816-Y819 HydrophobicContact CD1-CE2 4.21Å; Y816-Y819 WeakPolarHBondContact O-CA 3.39Å; Y816-Y819 VanDerWaalsContact O-CB 3.31Å; Y816-Y819 WeakPolarHBondContact O-CB 3.46Å; Y816-Y819 WeakPolarHBondContact O-CD2 3.37Å; Y816-Y819 PolarHBondContact O-N 3.25Å
817	V	56.2	Low	53.7	Low	8 Å²	8	24.8 Å²	24.8	5%	0.048	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-63.1	-21.6	177.2	76.1	0	0	0	0	111.5	W557 T798 V799 S802 I809 S814 H815 Y819 G820	W557-V817 HydrophobicContact CZ2-CG2 4.28Å; T798-V817 WeakPolarHBondContact O-CG2 3.17Å; V799-V817 WeakPolarHBondContact CG2-O 3.32Å; S802-V817 WeakPolarHBondContact OG-CG2 3.5Å; I809-V817 HydrophobicContact CG2-CG1 4.18Å; S814-V817 PolarHBondContact O-N 3.45Å; H815-V817 VanDerWaalsContact C-N 3.26Å; H815-V817 PolarHBondContact O-N 3.38Å; V817-Y819 PolarHBondContact O-N 2.93Å; V817-G820 PolarHBondContact O-N 3.13Å
818	L	55.7	Low	53.8	Low	2 Å²	2	20.5 Å²	20.5	1%	0.01	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-63.6	-17.8	169.1	-58.9	175.7	0	0	0	113.6	F376 F727 L764 V799 F803 H815 Y816 L821	F376-L818 HydrophobicContact CE1-CB 4.21Å; F376-L818 HydrophobicContact CE1-CD1 4.12Å; F376-L818 HydrophobicContact CZ-CD1 4.2Å; F727-L818 HydrophobicContact CE2-CD2 4.39Å; L764-L818 HydrophobicContact CD1-CD1 4.25Å; L764-L818 HydrophobicContact CD2-CD1 3.81Å; L764-L818 HydrophobicContact CD2-CD2 4.36Å; V799-L818 HydrophobicContact CG1-CD2 4.38Å; F803-L818 HydrophobicContact CE2-CD2 3.75Å; F803-L818 HydrophobicContact CZ-CD2 4.02Å; H815-L818 WeakPolarHBondContact O-CB 3.46Å; H815-L818 WeakPolarHBondContact O-CG 3.35Å; H815-L818 PolarHBondContact O-N 3.01Å; Y816-L818 PolarHBondContact O-N 2.78Å; Y816-L818 VanDerWaalsContact O-N 3.15Å; L818-L821 WeakPolarHBondContact O-CB 3.43Å
819	Y	54.8	Low	54.2	Low	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-83.1	-12.4	170.4	-58.4	-56.5	0	0	0	113.1	F376 S409 A412 M416 L446 I450 Y816 V817 L821 V822	F376-Y819 HydrophobicContact CD1-CE1 4.16Å; F376-Y819 AromaticContact CE1-CE1 3.79Å; F376-Y819 HydrophobicContact CE1-CE1 3.79Å; F376-Y819 AromaticContact CE1-CE2 3.93Å; F376-Y819 HydrophobicContact CE1-CE2 3.93Å; F376-Y819 AromaticContact CE1-CZ 3.38Å; F376-Y819 WeakPolarHBondContact CE1-OH 3.46Å; F376-Y819 HydrophobicContact CZ-CE2 4.32Å; S409-Y819 PolarHBondContact O-OH 3.01Å; A412-Y819 HydrophobicContact CB-CD2 3.89Å; A412-Y819 HydrophobicContact CB-CE2 3.4Å; M416-Y819 HydrophobicContact CE-CD1 4.21Å; M416-Y819 HydrophobicContact CE-CE1 3.72Å; M416-Y819 HydrophobicContact CG-CD1 4.09Å; M416-Y819 HydrophobicContact CG-CE1 4.22Å; M416-Y819 HydrophobicContact SD-CD1 3.49Å; M416-Y819 WeakPolarHBondContact SD-CD1 3.43Å; M416-Y819 HydrophobicContact SD-CE1 3.64Å; L446-Y819 HydrophobicContact CD2-CD2 4Å; I450-Y819 HydrophobicContact CD1-CD1 4.2Å; I450-Y819 HydrophobicContact CD1-CD2 4.5Å; I450-Y819 HydrophobicContact CD1-CG 3.95Å; Y816-Y819 HydrophobicContact CD1-CD2 4.48Å; Y816-Y819 HydrophobicContact CD1-CE2 4.21Å; Y816-Y819 WeakPolarHBondContact O-CA 3.39Å; Y816-Y819 VanDerWaalsContact O-CB 3.31Å; Y816-Y819 WeakPolarHBondContact O-CB 3.46Å; Y816-Y819 WeakPolarHBondContact O-CD2 3.37Å; Y816-Y819 PolarHBondContact O-N 3.25Å; V817-Y819 PolarHBondContact O-N 2.93Å; Y819-L821 PolarHBondContact O-N 2.7Å; Y819-L821 VanDerWaalsContact O-N 3.13Å; Y819-V822 VanDerWaalsContact O-CB 3.31Å; Y819-V822 WeakPolarHBondContact O-CB 3.29Å; Y819-V822 VanDerWaalsContact O-CG2 3.32Å; Y819-V822 WeakPolarHBondContact O-CG2 3.49Å; Y819-V822 PolarHBondContact O-N 2.92Å
820	G	50.8	Low	54.3	Low	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-58.4	-21.1	164.5	0	0	0	0	0	112.8	G795 V817 V822 A823	G795-G820 WeakPolarHBondContact CA-O 3.34Å; V817-G820 PolarHBondContact O-N 3.13Å; G820-V822 PolarHBondContact O-N 3.21Å; G820-A823 PolarHBondContact O-N 3.25Å
821	L	54.4	Low	54.4	Low	2 Å²	2	16 Å²	16	1%	0.01	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-63.2	-23	172.8	-157.3	58.9	0	0	0	113.7	F380 L768 L778 L796 V799 L818 Y819 A823 A824 M825	F380-L821 HydrophobicContact CE1-CD2 4.4Å; L768-L821 HydrophobicContact CD2-CD2 3.63Å; L778-L821 HydrophobicContact CD1-CD1 3.89Å; L778-L821 HydrophobicContact CD1-CD2 3.88Å; L778-L821 HydrophobicContact CD1-CG 3.99Å; L778-L821 HydrophobicContact CD2-CD1 4.15Å; L778-L821 HydrophobicContact CD2-CD2 4.42Å; L778-L821 HydrophobicContact CD2-CG 3.86Å; L796-L821 HydrophobicContact CD2-CD1 3.58Å; V799-L821 HydrophobicContact CG2-CB 4.21Å; V799-L821 HydrophobicContact CG2-CD1 4.32Å; L818-L821 WeakPolarHBondContact O-CB 3.43Å; Y819-L821 PolarHBondContact O-N 2.7Å; Y819-L821 VanDerWaalsContact O-N 3.13Å; L821-A823 VanDerWaalsContact C-N 3.3Å; L821-A823 PolarHBondContact O-N 3.48Å; L821-A824 PolarHBondContact O-N 3.48Å; L821-M825 WeakPolarHBondContact O-CG 3.35Å; L821-M825 PolarHBondContact O-N 2.85Å
822	V	52.1	Low	54.9	Low	6 Å²	6	15.3 Å²	15.3	4%	0.036	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-61.6	-38.3	179	174.2	0	0	0	0	111.4	M416 L419 I450 Y819 G820 A824 M825	M416-V822 HydrophobicContact CG-CG2 4.06Å; M416-V822 HydrophobicContact SD-CG2 3.99Å; L419-V822 HydrophobicContact CD1-CG1 3.51Å; I450-V822 HydrophobicContact CG2-CG1 4.19Å; I450-V822 HydrophobicContact CG2-CG2 4.12Å; Y819-V822 VanDerWaalsContact O-CB 3.31Å; Y819-V822 WeakPolarHBondContact O-CB 3.29Å; Y819-V822 VanDerWaalsContact O-CG2 3.32Å; Y819-V822 WeakPolarHBondContact O-CG2 3.49Å; Y819-V822 PolarHBondContact O-N 2.92Å; G820-V822 PolarHBondContact O-N 3.21Å; V822-A824 PolarHBondContact O-N 3.41Å; V822-M825 HydrophobicContact CG2-SD 4.22Å; V822-M825 WeakPolarHBondContact O-CB 3.37Å; V822-M825 PolarHBondContact O-N 3.14Å
823	A	50	Low	55.1	Low	20 Å²	20	13.5 Å²	13.5	17%	0.165	7%	0.069	C	C	.	.	G	3₁₀ helix	trans	-63.4	-11.3	175.8	0	0	0	0	0	113.7	L487 M524 A792 G820 L821	L487-A823 HydrophobicContact CD2-CB 4.24Å; M524-A823 HydrophobicContact CE-CB 3.87Å; A792-A823 WeakPolarHBondContact CA-O 3.48Å; G820-A823 PolarHBondContact O-N 3.25Å; L821-A823 VanDerWaalsContact C-N 3.3Å; L821-A823 PolarHBondContact O-N 3.48Å
824	A	51.6	Low	55.5	Low	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.056	C	C	.	.	G	3₁₀ helix	trans	-105.1	-1.4	172.8	0	0	0	0	0	114	T777 L778 A792 L796 L821 V822 Q826	T777-A824 VanDerWaalsContact O-O 3.13Å; L778-A824 WeakPolarHBondContact CA-O 3.47Å; L778-A824 HydrophobicContact CD2-CB 4.48Å; A792-A824 HydrophobicContact CB-CB 3.96Å; L796-A824 HydrophobicContact CD2-CB 4.4Å; L796-A824 HydrophobicContact CG-CB 4.18Å; L821-A824 PolarHBondContact O-N 3.48Å; V822-A824 PolarHBondContact O-N 3.41Å; A824-Q826 PolarHBondContact O-N 3.43Å
825	M	58.3	Low	55.8	Low	5 Å²	5	13.6 Å²	13.6	3%	0.025	7%	0.07	C	C	.	.			trans	-84.4	99.1	-175.7	-74.2	176.2	55.1	0	0	112.3	A383 L419 L771 L776 T777 L778 L821 V822	A383-M825 HydrophobicContact CB-CE 3.81Å; L419-M825 HydrophobicContact CD2-CE 4.11Å; L771-M825 HydrophobicContact CD1-CE 3.82Å; L771-M825 HydrophobicContact CD1-SD 4.13Å; L771-M825 HydrophobicContact CD2-CE 4.41Å; L771-M825 HydrophobicContact CD2-CG 4.25Å; L771-M825 HydrophobicContact CG-CE 4.23Å; L776-M825 HydrophobicContact CD1-CE 3.56Å; T777-M825 WeakPolarHBondContact O-CA 3.49Å; L778-M825 HydrophobicContact CD2-CB 4.45Å; L778-M825 HydrophobicContact CD2-CG 3.47Å; L778-M825 VanDerWaalsContact CD2-CG 3.47Å; L821-M825 WeakPolarHBondContact O-CG 3.35Å; L821-M825 PolarHBondContact O-N 2.85Å; V822-M825 HydrophobicContact CG2-SD 4.22Å; V822-M825 WeakPolarHBondContact O-CB 3.37Å; V822-M825 PolarHBondContact O-N 3.14Å
826	Q	56.1	Low	55.7	Low	30 Å²	30	19.1 Å²	19.1	14%	0.14	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	142.8	174.2	-66.7	-145.9	8.4	0	0	113.2	R300 T777 H782 A824	R300-Q826 PolarHBondContact O-NE2 3.22Å; T777-Q826 PolarHBondContact N-O 3.39Å; T777-Q826 PolarHBondContact O-N 3.45Å; T777-Q826 PolarHBondContact OG1-O 3.08Å; H782-Q826 PolarHBondContact CE1-NE2 3.37Å; H782-Q826 PolarHBondContact CE1-OE1 3.28Å; H782-Q826 PolarHBondContact NE2-OE1 3.23Å; A824-Q826 PolarHBondContact O-N 3.43Å
827	P	56.3	Low	55.8	Low	29 Å²	29	19.7 Å²	19.7	19%	0.188	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	133.1	178.2	30.3	-33.9	0	0	0	113.1	F330 L776 M829	F330-P827 HydrophobicContact CD2-CB 3.86Å; F330-P827 HydrophobicContact CE2-CB 4.06Å; L776-P827 HydrophobicContact CD2-CB 3.9Å; P827-M829 HydrophobicContact CB-CE 4.04Å; P827-M829 HydrophobicContact CB-CG 4.19Å; P827-M829 HydrophobicContact CB-SD 4.44Å; P827-M829 HydrophobicContact CG-CE 3.71Å; P827-M829 HydrophobicContact CG-CG 4.46Å; P827-M829 PolarHBondContact O-N 3.22Å
828	R	55	Low	56	Low	32 Å²	32	26.8 Å²	26.8	12%	0.121	13%	0.126	C	C	.	.			trans	-73.7	18.6	-177.9	-58.9	-172.3	75.6	100.9	30.9	115	T775 T777 L873 L874 A875 H876	T775-R828 WeakPolarHBondContact O-CB 3.41Å; T775-R828 WeakPolarHBondContact O-CG 3.16Å; T775-R828 PolarHBondContact O-N 3.48Å; T777-R828 HydrophobicContact CG2-CG 3.65Å; T777-R828 VanDerWaalsContact CG2-CZ 3.47Å; T777-R828 VanDerWaalsContact OG1-CG 3.29Å; T777-R828 WeakPolarHBondContact OG1-CG 3.44Å; R828-L873 HydrophobicContact CB-CD2 4.16Å; R828-L873 WeakPolarHBondContact O-CA 3.33Å; R828-L874 VanDerWaalsContact CZ-O 3.25Å; R828-L874 PolarHBondContact NE-O 3.48Å; R828-L874 PolarHBondContact NH2-O 2.69Å; R828-L874 PolarHBondContact O-N 3.44Å; R828-L874 VanDerWaalsContact O-N 3.17Å; R828-A875 VanDerWaalsContact NH2-CA 3.34Å; R828-H876 VanDerWaalsContact NH2-N 3.13Å
829	M	61.2	Low	56.2	Low	5 Å²	5	30.8 Å²	30.8	3%	0.025	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	142.2	-167.5	60.8	-175	167.8	0	0	112.8	L326 F330 L333 P827 V831 G896 F897	L326-M829 HydrophobicContact CD2-CE 4.33Å; F330-M829 HydrophobicContact CB-CE 4.23Å; F330-M829 HydrophobicContact CB-SD 4.42Å; F330-M829 HydrophobicContact CD2-SD 4.41Å; L333-M829 HydrophobicContact CD1-CB 3.52Å; L333-M829 HydrophobicContact CD1-SD 4.46Å; P827-M829 HydrophobicContact CB-CE 4.04Å; P827-M829 HydrophobicContact CB-CG 4.19Å; P827-M829 HydrophobicContact CB-SD 4.44Å; P827-M829 HydrophobicContact CG-CE 3.71Å; P827-M829 HydrophobicContact CG-CG 4.46Å; P827-M829 PolarHBondContact O-N 3.22Å; M829-V831 HydrophobicContact CB-CG2 4.14Å; M829-V831 HydrophobicContact CG-CG2 4.03Å; M829-V831 HydrophobicContact SD-CG2 3.81Å; M829-G896 WeakPolarHBondContact O-CA 3.43Å; M829-G896 PolarHBondContact O-N 3.37Å; M829-F897 HydrophobicContact CE-CE1 4.18Å; M829-F897 HydrophobicContact CE-CE2 4.13Å; M829-F897 HydrophobicContact CE-CZ 3.44Å; M829-F897 VanDerWaalsContact CE-CZ 3.44Å; M829-F897 HydrophobicContact SD-CZ 4.48Å
830	L	55.8	Low	56.7	Low	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	109.6	157.1	176.3	63	0	0	0	107.9	V844 T870 P871 V872 L874 A880 L894 G896 V898	L830-V844 HydrophobicContact CD2-CG1 4.15Å; L830-V844 HydrophobicContact CD2-CG2 4.48Å; L830-T870 HydrophobicContact CD2-CG2 4.38Å; L830-T870 HydrophobicContact CG-CG2 4.29Å; L830-P871 VanDerWaalsContact O-CA 3.31Å; L830-P871 WeakPolarHBondContact O-CA 3.25Å; L830-V872 HydrophobicContact CB-CG2 3.78Å; L830-V872 HydrophobicContact CD2-CG2 4Å; L830-V872 HydrophobicContact CG-CG2 4.34Å; L830-V872 PolarHBondContact N-O 3.12Å; L830-V872 PolarHBondContact O-N 3.14Å; L830-V872 VanDerWaalsContact O-N 3.12Å; L830-L874 HydrophobicContact CB-CD1 4.08Å; L830-L874 HydrophobicContact CB-CG 4.31Å; L830-L874 HydrophobicContact CD2-CD1 4.46Å; L830-A880 HydrophobicContact CD2-CB 3.55Å; L830-L894 HydrophobicContact CD1-CB 4.28Å; L830-L894 HydrophobicContact CD2-CB 4.23Å; L830-G896 CarbonylContact C-O 3.59Å; L830-G896 WeakPolarHBondContact CA-O 3.26Å; L830-V898 HydrophobicContact CD1-CG2 3.76Å
831	V	58.2	Low	57.3	Low	8 Å²	8	37.2 Å²	37.2	5%	0.048	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	129.1	175.1	-176.1	0	0	0	0	108.2	M829 F833 P871 G896 F897 V898	M829-V831 HydrophobicContact CB-CG2 4.14Å; M829-V831 HydrophobicContact CG-CG2 4.03Å; M829-V831 HydrophobicContact SD-CG2 3.81Å; V831-F833 HydrophobicContact CG1-CD1 4.34Å; V831-F833 HydrophobicContact CG1-CE1 3.85Å; V831-F833 HydrophobicContact CG1-CZ 4.1Å; V831-P871 HydrophobicContact CG2-CB 4.09Å; V831-G896 PolarHBondContact N-O 3.48Å; V831-F897 HydrophobicContact CB-CD1 3.84Å; V831-F897 HydrophobicContact CB-CE1 3.94Å; V831-F897 HydrophobicContact CG1-CD1 4.38Å; V831-F897 HydrophobicContact CG1-CE1 4.4Å; V831-F897 HydrophobicContact CG2-CD1 4.5Å; V831-F897 HydrophobicContact CG2-CE1 4.14Å; V831-F897 WeakPolarHBondContact O-CA 3.25Å; V831-V898 PolarHBondContact O-N 3.11Å
832	T	59.2	Low	57.8	Low	2 Å²	2	37.5 Å²	37.5	1%	0.012	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	132	176.8	39.6	0	0	0	0	110.2	L840 T870 V898 L900	T832-L840 PolarHBondContact O-N 3.27Å; T832-L840 PolarHBondContact OG1-O 3.03Å; T832-T870 HydrophobicContact CG2-CG2 4.12Å; T832-T870 WeakPolarHBondContact OG1-CB 3.43Å; T832-T870 PolarHBondContact OG1-OG1 3.32Å; T832-V898 CarbonylContact C-O 3.54Å; T832-V898 VanDerWaalsContact CA-O 3.31Å; T832-V898 WeakPolarHBondContact CA-O 3.49Å; T832-V898 HydrophobicContact CG2-CB 4.31Å; T832-L900 HydrophobicContact CG2-CD1 3.75Å; T832-L900 HydrophobicContact CG2-CD2 4.43Å; T832-L900 HydrophobicContact CG2-CG 4.07Å
833	F	59.9	Low	58.6	Low	1 Å²	1	39.5 Å²	39.5	0%	0.004	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	148.7	176.9	-63.5	-53.7	0	0	0	110.8	F296 V831 L837 R838 P839 F897 V898 I899 L900	F296-F833 HydrophobicContact CE1-CE2 4.2Å; F296-F833 HydrophobicContact CE2-CD2 4.17Å; F296-F833 HydrophobicContact CE2-CE2 4.02Å; F296-F833 HydrophobicContact CZ-CD2 4.22Å; F296-F833 AromaticContact CZ-CE2 3.62Å; F296-F833 HydrophobicContact CZ-CE2 3.62Å; F296-F833 HydrophobicContact CZ-CZ 4.48Å; V831-F833 HydrophobicContact CG1-CD1 4.34Å; V831-F833 HydrophobicContact CG1-CE1 3.85Å; V831-F833 HydrophobicContact CG1-CZ 4.1Å; F833-L837 WeakPolarHBondContact CD1-O 3.42Å; F833-R838 WeakPolarHBondContact CA-O 3.48Å; F833-P839 HydrophobicContact CD1-CB 4.32Å; F833-P839 HydrophobicContact CE1-CB 4.34Å; F833-F897 HydrophobicContact CD2-CB 4.43Å; F833-F897 HydrophobicContact CD2-CD1 4.2Å; F833-F897 HydrophobicContact CE2-CB 4.05Å; F833-F897 AromaticContact CE2-CD1 3.22Å; F833-F897 HydrophobicContact CE2-CD1 3.22Å; F833-F897 AromaticContact CE2-CE1 3.89Å; F833-F897 HydrophobicContact CE2-CE1 3.89Å; F833-F897 AromaticContact CE2-CG 3.9Å; F833-F897 HydrophobicContact CE2-CG 3.9Å; F833-F897 AromaticContact CZ-CD1 3.51Å; F833-F897 HydrophobicContact CZ-CD1 3.51Å; F833-F897 AromaticContact CZ-CE1 3.71Å; F833-F897 HydrophobicContact CZ-CE1 3.71Å; F833-V898 PolarHBondContact N-O 3.2Å; F833-I899 HydrophobicContact CB-CG1 4.34Å; F833-L900 PolarHBondContact O-N 2.98Å
834	D	58.6	Low	59.4	Low	24 Å²	24	38.5 Å²	38.5	13%	0.128	20%	0.199	C	C	.	.			trans	-75.5	172.4	163.2	-155.3	-10.5	0	0	0	110.4	E836 L837 R838 K902	D834-E836 PolarHBondContact O-N 3.22Å; D834-L837 PolarHBondContact O-N 2.71Å; D834-R838 PolarHBondContact N-O 2.96Å; D834-K902 IonicContact OD1-NZ 2.85Å; D834-K902 PolarHBondContact OD1-NZ 3.37Å; D834-K902 IonicContact OD2-NZ 2.7Å; D834-K902 PolarHBondContact OD2-NZ 3.1Å
835	E	56.5	Low	60.2	Low	86 Å²	86	41.6 Å²	41.6	40%	0.402	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-21.9	-179.7	-69.4	164.8	-160.3	0	0	113.4	R901 K902	E835-R901 HydrophobicContact CG-CG 4.15Å; E835-R901 WeakPolarHBondContact OE1-CA 3.48Å; E835-R901 WeakPolarHBondContact OE1-CB 3.25Å; E835-K902 PolarHBondContact OE1-N 3.02Å; E835-K902 VanDerWaalsContact OE1-N 3.08Å
836	E	55.1	Low	60.5	Low	126 Å²	126	42.2 Å²	42.2	59%	0.589	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.9	27.3	175.8	-58.4	177	-166.4	0	0	113.7	D834 R838	D834-E836 PolarHBondContact O-N 3.22Å; E836-R838 PolarHBondContact O-N 3.22Å; E836-R838 IonicContact OE1-NH2 3.29Å; E836-R838 IonicContact OE2-CZ 2.65Å; E836-R838 VanDerWaalsContact OE2-CZ 3.28Å; E836-R838 IonicContact OE2-NE 3.8Å; E836-R838 PolarHBondContact OE2-NE 3.23Å; E836-R838 VanDerWaalsContact OE2-NE 3.13Å; E836-R838 IonicContact OE2-NH2 2.75Å; E836-R838 PolarHBondContact OE2-NH2 3.45Å
837	L	56.1	Low	61	Low	27 Å²	27	41.1 Å²	41.1	14%	0.141	21%	0.212	C	C	.	.	S	Bend	trans	60.6	4.3	179.1	-59.9	168	0	0	0	116.2	K292 F296 I320 F833 D834 I899	K292-L837 HydrophobicContact CD-CD1 4.29Å; K292-L837 HydrophobicContact CD-CD2 4.35Å; F296-L837 HydrophobicContact CE2-CD2 3.94Å; F296-L837 HydrophobicContact CZ-CD2 4.37Å; I320-L837 HydrophobicContact CD1-CD1 3.9Å; I320-L837 HydrophobicContact CD1-CD2 4.03Å; F833-L837 WeakPolarHBondContact CD1-O 3.42Å; D834-L837 PolarHBondContact O-N 2.71Å; L837-I899 HydrophobicContact CD2-CD1 4.18Å
838	R	60.5	Low	61.3	Low	157 Å²	157	46.3 Å²	46.3	59%	0.592	23%	0.233	S	C	*	.			trans	-77.7	133.8	179.7	-64.3	-168.3	-86.5	151.9	-8	110.6	F833 D834 E836 L840	F833-R838 WeakPolarHBondContact CA-O 3.48Å; D834-R838 PolarHBondContact N-O 2.96Å; E836-R838 PolarHBondContact O-N 3.22Å; E836-R838 IonicContact OE1-NH2 3.29Å; E836-R838 IonicContact OE2-CZ 2.65Å; E836-R838 VanDerWaalsContact OE2-CZ 3.28Å; E836-R838 IonicContact OE2-NE 3.8Å; E836-R838 PolarHBondContact OE2-NE 3.23Å; E836-R838 VanDerWaalsContact OE2-NE 3.13Å; E836-R838 IonicContact OE2-NH2 2.75Å; E836-R838 PolarHBondContact OE2-NH2 3.45Å; R838-L840 PolarHBondContact O-N 2.84Å
839	P	60.5	Low	61.6	Low	86 Å²	86	46.5 Å²	46.5	56%	0.558	24%	0.241	S	C	*	.	B	Isolated β-bridge	trans	-65.6	125.3	-178.4	25.8	-33.9	0	0	0	110.9	F833	F833-P839 HydrophobicContact CD1-CB 4.32Å; F833-P839 HydrophobicContact CE1-CB 4.34Å
840	L	65	Low	61.5	Low	43 Å²	43	48.3 Å²	48.3	23%	0.225	25%	0.253	C	S	.	.			trans	-117.2	114.9	-174.1	-171.9	73.4	0	0	0	109.6	T832 R838 V842 T870 F887	T832-L840 PolarHBondContact O-N 3.27Å; T832-L840 PolarHBondContact OG1-O 3.03Å; R838-L840 PolarHBondContact O-N 2.84Å; L840-V842 HydrophobicContact CB-CG2 4.41Å; L840-V842 HydrophobicContact CD2-CG2 3.67Å; L840-V842 HydrophobicContact CG-CG2 3.78Å; L840-V842 PolarHBondContact O-N 3.46Å; L840-T870 PolarHBondContact O-OG1 3.42Å; L840-F887 HydrophobicContact CD2-CD1 4.09Å; L840-F887 HydrophobicContact CD2-CE1 3.46Å; L840-F887 VanDerWaalsContact CD2-CE1 3.46Å; L840-F887 HydrophobicContact CD2-CE2 4.33Å; L840-F887 HydrophobicContact CD2-CZ 3.62Å
841	P	63.1	Low	61.7	Low	92 Å²	92	53.9 Å²	53.9	60%	0.597	28%	0.282	S	S	*	.			trans	-76.3	107	178.3	29.5	-32.8	0	0	0	110.5	T869 T870	P841-T869 HydrophobicContact CB-CG2 3.78Å; P841-T870 WeakPolarHBondContact CB-O 3.32Å
842	V	65.6	Low	61.6	Low	9 Å²	9	54.9 Å²	54.9	6%	0.055	29%	0.289	C	S	.	.			trans	-119	147.8	-176.9	-179.2	0	0	0	0	110	L840 T869 T870 L882 F887 L900	L840-V842 HydrophobicContact CB-CG2 4.41Å; L840-V842 HydrophobicContact CD2-CG2 3.67Å; L840-V842 HydrophobicContact CG-CG2 3.78Å; L840-V842 PolarHBondContact O-N 3.46Å; V842-T869 WeakPolarHBondContact O-CA 3.15Å; V842-T870 PolarHBondContact N-OG1 3.02Å; V842-T870 PolarHBondContact O-N 2.96Å; V842-T870 PolarHBondContact O-OG1 3.4Å; V842-L882 HydrophobicContact CG1-CD2 3.62Å; V842-F887 HydrophobicContact CG2-CD2 4.48Å; V842-L900 HydrophobicContact CB-CD1 4.13Å; V842-L900 HydrophobicContact CG1-CD1 4.26Å; V842-L900 HydrophobicContact CG2-CD1 3.67Å
843	S	67.9	Low	61	Low	47 Å²	47	58.9 Å²	58.9	33%	0.329	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	125.8	177.8	-69.1	0	0	0	0	111.4	H868 A883	S843-H868 CarbonylContact C-O 3.6Å; S843-H868 WeakPolarHBondContact CA-O 3.32Å; S843-A883 VanDerWaalsContact O-CB 3.26Å; S843-A883 WeakPolarHBondContact O-CB 3.25Å; S843-A883 PolarHBondContact O-N 2.64Å
844	V	66.1	Low	60.6	Low	0 Å²	0	62.9 Å²	62.9	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	133.4	-178.3	169.7	0	0	0	0	109	L830 V846 T867 H868 T870 A880 E881 L882	L830-V844 HydrophobicContact CD2-CG1 4.15Å; L830-V844 HydrophobicContact CD2-CG2 4.48Å; V844-V846 HydrophobicContact CG1-CG2 4.24Å; V844-T867 WeakPolarHBondContact O-CA 3.4Å; V844-H868 PolarHBondContact N-O 3.39Å; V844-H868 PolarHBondContact O-N 3.3Å; V844-H868 VanDerWaalsContact O-O 3.1Å; V844-T870 HydrophobicContact CB-CG2 4.48Å; V844-T870 HydrophobicContact CG2-CG2 3.76Å; V844-A880 HydrophobicContact CG1-CB 3.44Å; V844-A880 VanDerWaalsContact CG1-CB 3.44Å; V844-E881 CarbonylContact C-O 3.55Å; V844-E881 WeakPolarHBondContact CA-O 3.28Å; V844-L882 HydrophobicContact CG2-CD2 4.15Å
845	R	69.3	Low	60.3	Low	65 Å²	65	66.4 Å²	66.4	25%	0.245	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	135.2	166.5	-66.9	-175.1	-171.5	105.7	13.6	109.2	I862 Q866 T867 A880 E881 A883	R845-I862 HydrophobicContact CB-CD1 3.69Å; R845-Q866 WeakPolarHBondContact CA-O 3.36Å; R845-T867 HydrophobicContact CG-CG2 3.81Å; R845-A880 CarbonylContact O-C 3.53Å; R845-A880 WeakPolarHBondContact O-CA 3.41Å; R845-E881 PolarHBondContact N-O 3.26Å; R845-E881 IonicContact NH1-OE2 2.71Å; R845-E881 PolarHBondContact O-N 2.96Å; R845-A883 HydrophobicContact CG-CB 4.25Å; R845-A883 PolarHBondContact NH2-O 3.07Å
846	V	65.1	Low	59.6	Low	18 Å²	18	67.6 Å²	67.6	11%	0.109	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	138.1	176.2	-171	0	0	0	0	108.9	V844 Q866 L874 E878	V844-V846 HydrophobicContact CG1-CG2 4.24Å; V846-Q866 PolarHBondContact N-O 3.11Å; V846-L874 HydrophobicContact CG1-CD2 3.86Å; V846-L874 HydrophobicContact CG2-CD2 4.26Å; V846-E878 HydrophobicContact CG1-CB 3.88Å; V846-E878 HydrophobicContact CG1-CG 4.28Å
847	G	65.4	Low	59.8	Low	7 Å²	7	64.9 Å²	64.9	7%	0.072	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.7	165.7	177.3	0	0	0	0	0	113.1	A849 E878 R879	G847-A849 PolarHBondContact O-N 3.29Å; G847-E878 CarbonylContact O-C 3.58Å; G847-E878 WeakPolarHBondContact O-CA 3.29Å; G847-R879 PolarHBondContact N-O 3.35Å; G847-R879 VanDerWaalsContact N-O 3.13Å; G847-R879 PolarHBondContact O-N 3.33Å
848	Q	63.9	Low	59.7	Low	138 Å²	138	73 Å²	73	65%	0.645	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.7	136.7	177.9	-172.4	178.4	-7.7	0	0	110.4	T863 G877	Q848-T863 WeakPolarHBondContact CB-OG1 3.4Å; Q848-T863 PolarHBondContact N-OG1 3.15Å; Q848-T863 VanDerWaalsContact N-OG1 3.11Å; Q848-T863 PolarHBondContact O-N 3.33Å; Q848-T863 PolarHBondContact O-OG1 3.21Å; Q848-G877 WeakPolarHBondContact CA-O 2.96Å
849	A	60.2	Low	59.4	Low	35 Å²	35	67.9 Å²	67.9	29%	0.289	42%	0.422	S	S	.	.	B	Isolated β-bridge	trans	-52.9	140.5	174.9	0	0	0	0	0	112.7	G847 G877 R879	G847-A849 PolarHBondContact O-N 3.29Å; A849-G877 PolarHBondContact N-O 3Å; A849-R879 HydrophobicContact CB-CG 3.97Å
850	V	59.5	Low	59.3	Low	44 Å²	44	68.8 Å²	68.8	27%	0.267	42%	0.417	S	S	.	.			trans	-121.8	139.5	170.1	-170.4	0	0	0	0	108.4	T861 T863 R879	V850-T861 PolarHBondContact N-O 3.01Å; V850-T863 HydrophobicContact CG2-CG2 3.41Å; V850-T863 VanDerWaalsContact CG2-CG2 3.41Å; V850-R879 PolarHBondContact O-NH1 3.26Å
851	D	59.7	Low	59.1	Low	116 Å²	116	69.1 Å²	69.1	62%	0.62	42%	0.421	S	S	*	.			trans	-74.8	128.7	166.7	-171.9	2.7	0	0	0	109.9	V853 Q855	D851-V853 WeakPolarHBondContact OD1-CB 3.25Å; D851-V853 WeakPolarHBondContact OD1-CG2 3.46Å; D851-V853 PolarHBondContact OD1-N 3.44Å; D851-Q855 PolarHBondContact O-NE2 2.8Å
852	V	57.3	Low	59.1	Low	30 Å²	30	65.3 Å²	65.3	18%	0.182	40%	0.395	C	S	.	.			trans	-102.4	-5.4	-175.7	-63.9	0	0	0	0	112.8	G854 Q855 P859 T861	V852-G854 PolarHBondContact O-N 2.92Å; V852-Q855 PolarHBondContact O-N 3.19Å; V852-P859 HydrophobicContact CB-CB 3.88Å; V852-P859 HydrophobicContact CB-CG 3.8Å; V852-P859 HydrophobicContact CG1-CB 3.88Å; V852-P859 HydrophobicContact CG1-CG 4.16Å; V852-T861 HydrophobicContact CG1-CG2 3.96Å
853	V	45.9	Very low	58.8	Low	85 Å²	85	68.9 Å²	68.9	52%	0.515	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	129.2	177.2	174.5	0	0	0	0	110.3	D851 Q855	D851-V853 WeakPolarHBondContact OD1-CB 3.25Å; D851-V853 WeakPolarHBondContact OD1-CG2 3.46Å; D851-V853 PolarHBondContact OD1-N 3.44Å; V853-Q855 PolarHBondContact O-N 2.7Å
854	G	50.8	Low	58.3	Low	85 Å²	85	67.5 Å²	67.5	88%	0.876	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.9	-1.5	179.5	0	0	0	0	0	116.5	V852	V852-G854 PolarHBondContact O-N 2.92Å
855	Q	52.7	Low	58	Low	98 Å²	98	75.8 Å²	75.8	46%	0.458	45%	0.447	S	S	.	.			trans	-83.6	124.5	176.2	-67.1	-170.8	34.9	0	0	112.4	D851 V852 V853 P859	D851-Q855 PolarHBondContact O-NE2 2.8Å; V852-Q855 PolarHBondContact O-N 3.19Å; V853-Q855 PolarHBondContact O-N 2.7Å; Q855-P859 HydrophobicContact CB-CB 3.75Å; Q855-P859 HydrophobicContact CB-CG 4.41Å; Q855-P859 HydrophobicContact CG-CB 4.49Å
856	A	43.1	Very low	57.6	Low	111 Å²	111	79 Å²	79	92%	0.917	46%	0.464	S	S	*	.			trans	-82.2	118.1	177.9	0	0	0	0	0	112.5
857	G	58.8	Low	57.8	Low	69 Å²	69	82 Å²	82	71%	0.711	48%	0.483	S	S	*	.	S	Bend	trans	136.5	-146.6	174.4	0	0	0	0	0	112.6	P859	G857-P859 WeakPolarHBondContact O-CD 3.35Å
858	K	52.7	Low	57.9	Low	198 Å²	198	85.4 Å²	85.4	86%	0.861	50%	0.497	S	S	*	.	S	Bend	trans	-94.8	91.4	156.8	-76.9	-170.9	174.1	-172	0	107.8
859	P	56.1	Low	58	Low	50 Å²	50	82.8 Å²	82.8	33%	0.325	49%	0.49	S	S	.	.			trans	-70.4	149	179.5	30.8	-36.1	0	0	0	111.1	V852 Q855 G857	V852-P859 HydrophobicContact CB-CB 3.88Å; V852-P859 HydrophobicContact CB-CG 3.8Å; V852-P859 HydrophobicContact CG1-CB 3.88Å; V852-P859 HydrophobicContact CG1-CG 4.16Å; Q855-P859 HydrophobicContact CB-CB 3.75Å; Q855-P859 HydrophobicContact CB-CG 4.41Å; Q855-P859 HydrophobicContact CG-CB 4.49Å; G857-P859 WeakPolarHBondContact O-CD 3.35Å
860	K	58	Low	58.1	Low	105 Å²	105	81.4 Å²	81.4	46%	0.457	48%	0.478	S	S	.	.			trans	-94.6	133.2	175.4	-69.1	-168.2	172.5	-163.2	0	110.6	I862	K860-I862 VanDerWaalsContact C-N 3.28Å; K860-I862 PolarHBondContact O-N 3.13Å
861	T	60.2	Low	57.8	Low	50 Å²	50	80.9 Å²	80.9	31%	0.307	48%	0.476	S	S	.	.	S	Bend	trans	-81	-5	-178.2	53.1	0	0	0	0	114.1	V850 V852 R879	V850-T861 PolarHBondContact N-O 3.01Å; V852-T861 HydrophobicContact CG1-CG2 3.96Å; T861-R879 PolarHBondContact O-NH1 2.93Å
862	I	63.6	Low	57.9	Low	11 Å²	11	75.9 Å²	75.9	6%	0.056	45%	0.449	C	S	.	.	B	Isolated β-bridge	trans	-132.2	148.7	-176.8	53.2	163.9	0	0	0	113.5	R845 K860 R879 E881	R845-I862 HydrophobicContact CB-CD1 3.69Å; K860-I862 VanDerWaalsContact C-N 3.28Å; K860-I862 PolarHBondContact O-N 3.13Å; I862-R879 HydrophobicContact CG2-CB 3.63Å; I862-R879 WeakPolarHBondContact CG2-O 3.41Å; I862-E881 HydrophobicContact CD1-CB 3.54Å; I862-E881 HydrophobicContact CG1-CB 4.08Å
863	T	59.1	Low	58	Low	84 Å²	84	77.2 Å²	77.2	52%	0.515	46%	0.455	S	S	.	.	S	Bend	trans	-82.5	-12.6	171.2	50.9	0	0	0	0	114.7	Q848 V850	Q848-T863 WeakPolarHBondContact CB-OG1 3.4Å; Q848-T863 PolarHBondContact N-OG1 3.15Å; Q848-T863 VanDerWaalsContact N-OG1 3.11Å; Q848-T863 PolarHBondContact O-N 3.33Å; Q848-T863 PolarHBondContact O-OG1 3.21Å; V850-T863 HydrophobicContact CG2-CG2 3.41Å; V850-T863 VanDerWaalsContact CG2-CG2 3.41Å
864	G	57.3	Low	58.6	Low	18 Å²	18	74 Å²	74	19%	0.186	44%	0.435	C	S	.	.			trans	-94	140.9	-165.4	0	0	0	0	0	115.3
865	F	59.2	Low	58.9	Low	174 Å²	174	72.1 Å²	72.1	76%	0.763	41%	0.411	S	S	*	.			trans	-105.7	-8.5	170.7	-73.7	-86.6	0	0	0	113.7	T867	F865-T867 PolarHBondContact O-N 2.99Å
866	Q	61.4	Low	58.8	Low	133 Å²	133	70.8 Å²	70.8	62%	0.621	41%	0.405	S	S	*	.			trans	-76.4	117	-173.2	-170.8	168.9	-41.7	0	0	110.6	R845 V846 H868	R845-Q866 WeakPolarHBondContact CA-O 3.36Å; V846-Q866 PolarHBondContact N-O 3.11Å; Q866-H868 PolarHBondContact NE2-CE1 2.88Å; Q866-H868 PolarHBondContact NE2-NE2 3.39Å
867	T	69.1	Low	59.3	Low	81 Å²	81	67.5 Å²	67.5	50%	0.497	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	129.9	175.3	48.4	0	0	0	0	111.1	V844 R845 F865 A883	V844-T867 WeakPolarHBondContact O-CA 3.4Å; R845-T867 HydrophobicContact CG-CG2 3.81Å; F865-T867 PolarHBondContact O-N 2.99Å; T867-A883 HydrophobicContact CG2-CB 3.98Å
868	H	67	Low	59.4	Low	78 Å²	78	68 Å²	68	36%	0.361	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	160.3	167.6	-68.1	-107.3	0	0	0	108.7	S843 V844 Q866 V872	S843-H868 CarbonylContact C-O 3.6Å; S843-H868 WeakPolarHBondContact CA-O 3.32Å; V844-H868 PolarHBondContact N-O 3.39Å; V844-H868 PolarHBondContact O-N 3.3Å; V844-H868 VanDerWaalsContact O-O 3.1Å; Q866-H868 PolarHBondContact NE2-CE1 2.88Å; Q866-H868 PolarHBondContact NE2-NE2 3.39Å; H868-V872 HydrophobicContact CB-CG1 3.6Å
869	T	67.1	Low	59.6	Low	84 Å²	84	61.7 Å²	61.7	52%	0.515	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	138.4	170.2	-47.8	0	0	0	0	108.7	P841 V842 V872	P841-T869 HydrophobicContact CB-CG2 3.78Å; V842-T869 WeakPolarHBondContact O-CA 3.15Å; T869-V872 VanDerWaalsContact O-CG1 3.25Å; T869-V872 WeakPolarHBondContact O-CG1 3.01Å
870	T	60.6	Low	59.6	Low	6 Å²	6	59.8 Å²	59.8	4%	0.037	33%	0.325	C	S	.	.	S	Bend	trans	-66	147.7	173	47.1	0	0	0	0	111.8	L830 T832 L840 P841 V842 V844	L830-T870 HydrophobicContact CD2-CG2 4.38Å; L830-T870 HydrophobicContact CG-CG2 4.29Å; T832-T870 HydrophobicContact CG2-CG2 4.12Å; T832-T870 WeakPolarHBondContact OG1-CB 3.43Å; T832-T870 PolarHBondContact OG1-OG1 3.32Å; L840-T870 PolarHBondContact O-OG1 3.42Å; P841-T870 WeakPolarHBondContact CB-O 3.32Å; V842-T870 PolarHBondContact N-OG1 3.02Å; V842-T870 PolarHBondContact O-N 2.96Å; V842-T870 PolarHBondContact O-OG1 3.4Å; V844-T870 HydrophobicContact CB-CG2 4.48Å; V844-T870 HydrophobicContact CG2-CG2 3.76Å
871	P	55	Low	59.7	Low	33 Å²	33	57.2 Å²	57.2	21%	0.214	31%	0.314	C	S	.	.	S	Bend	cis	-82.5	140.2	6.5	35.8	-36.8	0	0	0	113.3	L333 E336 L830 V831	L333-P871 HydrophobicContact CB-CG 4.28Å; L333-P871 HydrophobicContact CD1-CB 4.12Å; E336-P871 HydrophobicContact CB-CG 4.3Å; E336-P871 HydrophobicContact CG-CG 4.43Å; L830-P871 VanDerWaalsContact O-CA 3.31Å; L830-P871 WeakPolarHBondContact O-CA 3.25Å; V831-P871 HydrophobicContact CG2-CB 4.09Å
872	V	60.7	Low	59.6	Low	10 Å²	10	56 Å²	56	6%	0.061	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	156.8	-178.8	-60.4	0	0	0	0	112.6	L830 H868 T869 L874	L830-V872 HydrophobicContact CB-CG2 3.78Å; L830-V872 HydrophobicContact CD2-CG2 4Å; L830-V872 HydrophobicContact CG-CG2 4.34Å; L830-V872 PolarHBondContact N-O 3.12Å; L830-V872 PolarHBondContact O-N 3.14Å; L830-V872 VanDerWaalsContact O-N 3.12Å; H868-V872 HydrophobicContact CB-CG1 3.6Å; T869-V872 VanDerWaalsContact O-CG1 3.25Å; T869-V872 WeakPolarHBondContact O-CG1 3.01Å; V872-L874 HydrophobicContact CG2-CD2 4.31Å
873	L	58.7	Low	59.3	Low	58 Å²	58	56.6 Å²	56.6	30%	0.304	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	126.9	167.6	-60.6	174.3	0	0	0	109.1	L333 L337 T775 R828	L333-L873 HydrophobicContact CD1-CD2 4.17Å; L337-L873 HydrophobicContact CD1-CD1 3.96Å; L337-L873 HydrophobicContact CD1-CD2 4.41Å; L337-L873 HydrophobicContact CD1-CG 4.05Å; T775-L873 HydrophobicContact CG2-CD1 4.15Å; T775-L873 HydrophobicContact CG2-CD2 4.16Å; R828-L873 HydrophobicContact CB-CD2 4.16Å; R828-L873 WeakPolarHBondContact O-CA 3.33Å
874	L	58.9	Low	59.2	Low	19 Å²	19	54.7 Å²	54.7	10%	0.099	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-94.9	130.7	176.5	-65.1	172.3	0	0	0	110.8	R828 L830 V846 V872 A880	R828-L874 VanDerWaalsContact CZ-O 3.25Å; R828-L874 PolarHBondContact NE-O 3.48Å; R828-L874 PolarHBondContact NH2-O 2.69Å; R828-L874 PolarHBondContact O-N 3.44Å; R828-L874 VanDerWaalsContact O-N 3.17Å; L830-L874 HydrophobicContact CB-CD1 4.08Å; L830-L874 HydrophobicContact CB-CG 4.31Å; L830-L874 HydrophobicContact CD2-CD1 4.46Å; V846-L874 HydrophobicContact CG1-CD2 3.86Å; V846-L874 HydrophobicContact CG2-CD2 4.26Å; V872-L874 HydrophobicContact CG2-CD2 4.31Å; L874-A880 HydrophobicContact CD2-CB 4.13Å
875	A	57	Low	59.2	Low	45 Å²	45	60.9 Å²	60.9	37%	0.372	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-77.4	167.4	171.7	0	0	0	0	0	112	R828 G877 E878	R828-A875 VanDerWaalsContact NH2-CA 3.34Å; A875-G877 PolarHBondContact O-N 2.8Å; A875-G877 VanDerWaalsContact O-N 3.14Å; A875-E878 HydrophobicContact CB-CG 3.95Å; A875-E878 WeakPolarHBondContact CB-OE2 3.14Å; A875-E878 PolarHBondContact N-OE2 3.15Å; A875-E878 PolarHBondContact O-N 2.74Å; A875-E878 VanDerWaalsContact O-N 3.17Å
876	H	51.3	Low	59	Low	70 Å²	70	56.2 Å²	56.2	32%	0.324	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	111.6	-176.3	179.4	-56.9	0	0	0	110.7	N701 R828	N701-H876 PolarHBondContact ND2-CE1 2.76Å; N701-H876 PolarHBondContact ND2-ND1 3.33Å; R828-H876 VanDerWaalsContact NH2-N 3.13Å
877	G	53.8	Low	58.8	Low	42 Å²	42	51.5 Å²	51.5	43%	0.433	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.6	5.8	-176.8	0	0	0	0	0	114.3	Q848 A849 A875	Q848-G877 WeakPolarHBondContact CA-O 2.96Å; A849-G877 PolarHBondContact N-O 3Å; A875-G877 PolarHBondContact O-N 2.8Å; A875-G877 VanDerWaalsContact O-N 3.14Å
878	E	59.9	Low	58.2	Low	80 Å²	80	51.8 Å²	51.8	37%	0.374	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	130.3	163.3	-70.9	175.3	173.4	0	0	109.5	V846 G847 A875	V846-E878 HydrophobicContact CG1-CB 3.88Å; V846-E878 HydrophobicContact CG1-CG 4.28Å; G847-E878 CarbonylContact O-C 3.58Å; G847-E878 WeakPolarHBondContact O-CA 3.29Å; A875-E878 HydrophobicContact CB-CG 3.95Å; A875-E878 WeakPolarHBondContact CB-OE2 3.14Å; A875-E878 PolarHBondContact N-OE2 3.15Å; A875-E878 PolarHBondContact O-N 2.74Å; A875-E878 VanDerWaalsContact O-N 3.17Å
879	R	56.7	Low	57.8	Low	64 Å²	64	50.1 Å²	50.1	24%	0.242	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	153.9	166.5	-73.3	176.5	-175.1	156.4	-6	109.2	D784 G847 A849 V850 T861 I862	D784-R879 IonicContact OD1-CZ 3.75Å; D784-R879 VanDerWaalsContact OD1-CZ 3.3Å; D784-R879 IonicContact OD1-NE 3.87Å; D784-R879 PolarHBondContact OD1-NE 2.94Å; D784-R879 IonicContact OD1-NH2 3.52Å; D784-R879 PolarHBondContact OD1-NH2 3.28Å; D784-R879 IonicContact OD2-CZ 3Å; D784-R879 IonicContact OD2-NE 3.88Å; D784-R879 IonicContact OD2-NH2 2.62Å; D784-R879 PolarHBondContact OD2-NH2 2.82Å; G847-R879 PolarHBondContact N-O 3.35Å; G847-R879 VanDerWaalsContact N-O 3.13Å; G847-R879 PolarHBondContact O-N 3.33Å; A849-R879 HydrophobicContact CB-CG 3.97Å; V850-R879 PolarHBondContact O-NH1 3.26Å; T861-R879 PolarHBondContact O-NH1 2.93Å; I862-R879 HydrophobicContact CG2-CB 3.63Å; I862-R879 WeakPolarHBondContact CG2-O 3.41Å
880	A	57.4	Low	57.4	Low	10 Å²	10	47.6 Å²	47.6	8%	0.083	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	146.9	168.6	0	0	0	0	0	110.8	L830 V844 R845 L874 L894	L830-A880 HydrophobicContact CD2-CB 3.55Å; V844-A880 HydrophobicContact CG1-CB 3.44Å; V844-A880 VanDerWaalsContact CG1-CB 3.44Å; R845-A880 CarbonylContact O-C 3.53Å; R845-A880 WeakPolarHBondContact O-CA 3.41Å; L874-A880 HydrophobicContact CD2-CB 4.13Å; A880-L894 HydrophobicContact CB-CB 3.69Å; A880-L894 HydrophobicContact CB-CD1 4.09Å
881	E	58.8	Low	57.1	Low	51 Å²	51	48.1 Å²	48.1	24%	0.238	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	138.6	167.3	-173	-170.2	-142.8	0	0	107.9	V844 R845 I862 A883	V844-E881 CarbonylContact C-O 3.55Å; V844-E881 WeakPolarHBondContact CA-O 3.28Å; R845-E881 PolarHBondContact N-O 3.26Å; R845-E881 IonicContact NH1-OE2 2.71Å; R845-E881 PolarHBondContact O-N 2.96Å; I862-E881 HydrophobicContact CD1-CB 3.54Å; I862-E881 HydrophobicContact CG1-CB 4.08Å; E881-A883 PolarHBondContact O-N 3.41Å
882	L	59	Low	56.9	Low	26 Å²	26	50.3 Å²	50.3	14%	0.136	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	137.4	174.5	-76.7	158.5	0	0	0	110.6	V842 V844 T884 P889 L894 L900	V842-L882 HydrophobicContact CG1-CD2 3.62Å; V844-L882 HydrophobicContact CG2-CD2 4.15Å; L882-T884 VanDerWaalsContact C-N 3.33Å; L882-P889 HydrophobicContact CD1-CB 4.04Å; L882-P889 HydrophobicContact CD1-CG 3.73Å; L882-L894 HydrophobicContact CG-CD1 3.98Å; L882-L900 HydrophobicContact CD1-CD2 3.86Å; L882-L900 HydrophobicContact CD2-CD1 4.29Å; L882-L900 HydrophobicContact CD2-CD2 4.33Å
883	A	57	Low	56.6	Low	22 Å²	22	52.2 Å²	52.2	18%	0.182	29%	0.288	C	S	.	.	S	Bend	trans	-81.5	-15.1	-178.8	0	0	0	0	0	113.5	S843 R845 T867 E881	S843-A883 VanDerWaalsContact O-CB 3.26Å; S843-A883 WeakPolarHBondContact O-CB 3.25Å; S843-A883 PolarHBondContact O-N 2.64Å; R845-A883 HydrophobicContact CG-CB 4.25Å; R845-A883 PolarHBondContact NH2-O 3.07Å; T867-A883 HydrophobicContact CG2-CB 3.98Å; E881-A883 PolarHBondContact O-N 3.41Å
884	T	57.7	Low	56.4	Low	45 Å²	45	50.1 Å²	50.1	28%	0.276	28%	0.277	S	S	.	.			trans	-137.5	132.2	-167.2	45.2	0	0	0	0	111.3	L882 E886	L882-T884 VanDerWaalsContact C-N 3.33Å; T884-E886 PolarHBondContact O-N 2.74Å
885	E	57.2	Low	56.2	Low	148 Å²	148	51.6 Å²	51.6	69%	0.692	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	6	179.7	-60.7	-173.9	165.1	0	0	113.8	F887 N903	E885-F887 PolarHBondContact O-N 3Å; E885-N903 WeakPolarHBondContact O-CB 3.49Å; E885-N903 PolarHBondContact O-ND2 3.01Å
886	E	53.9	Low	56.3	Low	75 Å²	75	49.8 Å²	49.8	35%	0.35	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-27.3	175.1	-72.6	171.7	174	0	0	113.2	T884 N903 Y906	T884-E886 PolarHBondContact O-N 2.74Å; E886-N903 WeakPolarHBondContact O-CB 3.41Å; E886-N903 PolarHBondContact O-N 3.07Å; E886-Y906 HydrophobicContact CG-CD1 4.13Å; E886-Y906 HydrophobicContact CG-CD2 4.02Å; E886-Y906 HydrophobicContact CG-CE1 3.59Å; E886-Y906 HydrophobicContact CG-CE2 3.5Å; E886-Y906 VanDerWaalsContact CG-CE2 3.5Å; E886-Y906 HydrophobicContact CG-CG 4.3Å; E886-Y906 WeakPolarHBondContact CG-OH 3.42Å; E886-Y906 PolarHBondContact OE1-OH 2.8Å
887	F	57.7	Low	56.5	Low	34 Å²	34	47.2 Å²	47.2	15%	0.149	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	137	-176.4	-67.4	-88.1	0	0	0	110.7	L840 V842 E885 L900 R901 K902	L840-F887 HydrophobicContact CD2-CD1 4.09Å; L840-F887 HydrophobicContact CD2-CE1 3.46Å; L840-F887 VanDerWaalsContact CD2-CE1 3.46Å; L840-F887 HydrophobicContact CD2-CE2 4.33Å; L840-F887 HydrophobicContact CD2-CZ 3.62Å; V842-F887 HydrophobicContact CG2-CD2 4.48Å; E885-F887 PolarHBondContact O-N 3Å; F887-L900 HydrophobicContact CB-CB 4.14Å; F887-L900 HydrophobicContact CB-CD1 4.13Å; F887-L900 HydrophobicContact CD1-CB 4.02Å; F887-L900 HydrophobicContact CG-CB 4.41Å; F887-L900 HydrophobicContact CG-CD1 4.33Å; F887-R901 CarbonylContact C-O 3.59Å; F887-R901 VanDerWaalsContact CA-O 3.29Å; F887-R901 WeakPolarHBondContact CA-O 3.1Å; F887-K902 HydrophobicContact CD1-CG 4.11Å; F887-K902 HydrophobicContact CE1-CG 3.61Å; F887-K902 HydrophobicContact CZ-CG 4.4Å
888	L	56.6	Low	56.5	Low	87 Å²	87	45.2 Å²	45.2	46%	0.455	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	124.3	173.8	-67.7	172.8	0	0	0	109.2	R901 N903	L888-R901 PolarHBondContact N-O 2.76Å; L888-R901 PolarHBondContact O-N 3.02Å; L888-N903 HydrophobicContact CD1-CB 4.32Å; L888-N903 HydrophobicContact CG-CB 4.14Å
889	P	59	Low	56.5	Low	43 Å²	43	41.6 Å²	41.6	28%	0.279	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	135.9	175.7	34.7	-32	0	0	0	109.2	L882 T891 L894 V898 L900	L882-P889 HydrophobicContact CD1-CB 4.04Å; L882-P889 HydrophobicContact CD1-CG 3.73Å; P889-T891 WeakPolarHBondContact CB-O 3.47Å; P889-T891 PolarHBondContact O-N 3.4Å; P889-L894 HydrophobicContact CB-CD2 3.77Å; P889-L894 HydrophobicContact CG-CD2 4.26Å; P889-V898 HydrophobicContact CB-CG1 3.82Å; P889-L900 HydrophobicContact CB-CD2 3.82Å
890	V	57.5	Low	56.6	Low	31 Å²	31	38.5 Å²	38.5	19%	0.188	21%	0.208	C	C	.	.	S	Bend	trans	-76.4	-11.6	-179.3	-169.8	0	0	0	0	112.1	V289 V290 I899 R901	V289-V890 HydrophobicContact CG1-CG2 4.17Å; V290-V890 HydrophobicContact CG2-CG1 3.89Å; V890-I899 PolarHBondContact N-O 3.39Å; V890-R901 HydrophobicContact CG2-CG 3.76Å
891	T	55.3	Low	56.7	Low	17 Å²	17	41.5 Å²	41.5	10%	0.104	22%	0.217	C	C	.	.	S	Bend	trans	-112.8	139.5	166.9	167.1	0	0	0	0	110	P889 I893 V898	P889-T891 WeakPolarHBondContact CB-O 3.47Å; P889-T891 PolarHBondContact O-N 3.4Å; T891-I893 WeakPolarHBondContact CG2-O 3.04Å; T891-I893 PolarHBondContact O-N 3.05Å; T891-I893 PolarHBondContact OG1-N 2.91Å; T891-I893 VanDerWaalsContact OG1-N 3.12Å; T891-I893 PolarHBondContact OG1-O 2.87Å; T891-V898 HydrophobicContact CG2-CG1 4.03Å; T891-V898 HydrophobicContact CG2-CG2 4.17Å
892	P	51.8	Low	56.6	Low	80 Å²	80	44.1 Å²	44.1	52%	0.519	23%	0.228	S	C	.	.	S	Bend	trans	-71.7	-11.9	173.5	31.2	-36.4	0	0	0	113.6	E264	E264-P892 HydrophobicContact CG-CG 4.48Å
893	I	54.4	Low	56.4	Low	50 Å²	50	44.3 Å²	44.3	26%	0.256	23%	0.229	S	C	.	.	S	Bend	trans	-114.6	116.8	-177.5	-66.9	169.6	0	0	0	109.5	D784 T891 E895	D784-I893 HydrophobicContact CB-CD1 4.18Å; T891-I893 WeakPolarHBondContact CG2-O 3.04Å; T891-I893 PolarHBondContact O-N 3.05Å; T891-I893 PolarHBondContact OG1-N 2.91Å; T891-I893 VanDerWaalsContact OG1-N 3.12Å; T891-I893 PolarHBondContact OG1-O 2.87Å; I893-E895 HydrophobicContact CG2-CB 4.32Å; I893-E895 HydrophobicContact CG2-CG 3.97Å; I893-E895 PolarHBondContact O-N 2.92Å
894	L	54.2	Low	56.1	Low	13 Å²	13	48.3 Å²	48.3	7%	0.068	25%	0.253	C	S	.	.			trans	-87.9	76	-178	-60.8	178.5	0	0	0	111.2	L830 A880 L882 P889 V898	L830-L894 HydrophobicContact CD1-CB 4.28Å; L830-L894 HydrophobicContact CD2-CB 4.23Å; A880-L894 HydrophobicContact CB-CB 3.69Å; A880-L894 HydrophobicContact CB-CD1 4.09Å; L882-L894 HydrophobicContact CG-CD1 3.98Å; P889-L894 HydrophobicContact CB-CD2 3.77Å; P889-L894 HydrophobicContact CG-CD2 4.26Å; L894-V898 HydrophobicContact CB-CG2 4.47Å; L894-V898 HydrophobicContact CD2-CB 4.22Å; L894-V898 HydrophobicContact CD2-CG1 3.67Å; L894-V898 HydrophobicContact CD2-CG2 3.79Å
895	E	54.8	Low	55.8	Low	51 Å²	51	51.8 Å²	51.8	24%	0.238	27%	0.27	C	S	.	.			trans	-127.1	136	174.4	-79.3	-173.8	-143.1	0	0	112	R300 S783 D784 I893 F897	R300-E895 PolarHBondContact NH1-O 2.76Å; R300-E895 VanDerWaalsContact NH1-O 3.1Å; R300-E895 IonicContact NH2-OE2 3.13Å; S783-E895 VanDerWaalsContact CA-OE1 3.3Å; S783-E895 WeakPolarHBondContact CA-OE1 3.26Å; S783-E895 WeakPolarHBondContact CA-OE2 3.34Å; S783-E895 PolarHBondContact N-OE1 3.01Å; S783-E895 PolarHBondContact N-OE2 3.22Å; D784-E895 PolarHBondContact N-OE1 2.66Å; I893-E895 HydrophobicContact CG2-CB 4.32Å; I893-E895 HydrophobicContact CG2-CG 3.97Å; I893-E895 PolarHBondContact O-N 2.92Å; E895-F897 PolarHBondContact O-N 2.88Å
896	G	57.5	Low	55.2	Low	7 Å²	7	50.9 Å²	50.9	7%	0.072	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	74.8	-108.7	173.5	0	0	0	0	0	112.3	M829 L830 V831	M829-G896 WeakPolarHBondContact O-CA 3.43Å; M829-G896 PolarHBondContact O-N 3.37Å; L830-G896 CarbonylContact C-O 3.59Å; L830-G896 WeakPolarHBondContact CA-O 3.26Å; V831-G896 PolarHBondContact N-O 3.48Å
897	F	55.5	Low	54.5	Low	16 Å²	16	55.2 Å²	55.2	7%	0.07	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	129.7	178.2	-63.7	-74.6	0	0	0	110.5	F296 L326 N329 M829 V831 F833 E895	F296-F897 HydrophobicContact CB-CB 4.39Å; F296-F897 HydrophobicContact CD1-CB 4.08Å; F296-F897 AromaticContact CD1-CD2 3.75Å; F296-F897 HydrophobicContact CD1-CD2 3.75Å; F296-F897 HydrophobicContact CD1-CE2 4.41Å; F296-F897 AromaticContact CD1-CG 3.98Å; F296-F897 HydrophobicContact CD1-CG 3.98Å; F296-F897 HydrophobicContact CD2-CB 4.37Å; F296-F897 HydrophobicContact CE1-CB 4.46Å; F296-F897 HydrophobicContact CE1-CD2 4.13Å; F296-F897 HydrophobicContact CE1-CG 4.13Å; F296-F897 HydrophobicContact CG-CB 4.05Å; F296-F897 HydrophobicContact CG-CD2 4.45Å; F296-F897 HydrophobicContact CG-CG 4.45Å; L326-F897 HydrophobicContact CD2-CE2 3.29Å; L326-F897 HydrophobicContact CD2-CZ 3.51Å; N329-F897 HydrophobicContact CB-CE1 4.27Å; M829-F897 HydrophobicContact CE-CE1 4.18Å; M829-F897 HydrophobicContact CE-CE2 4.13Å; M829-F897 HydrophobicContact CE-CZ 3.44Å; M829-F897 VanDerWaalsContact CE-CZ 3.44Å; M829-F897 HydrophobicContact SD-CZ 4.48Å; V831-F897 HydrophobicContact CB-CD1 3.84Å; V831-F897 HydrophobicContact CB-CE1 3.94Å; V831-F897 HydrophobicContact CG1-CD1 4.38Å; V831-F897 HydrophobicContact CG1-CE1 4.4Å; V831-F897 HydrophobicContact CG2-CD1 4.5Å; V831-F897 HydrophobicContact CG2-CE1 4.14Å; V831-F897 WeakPolarHBondContact O-CA 3.25Å; F833-F897 HydrophobicContact CD2-CB 4.43Å; F833-F897 HydrophobicContact CD2-CD1 4.2Å; F833-F897 HydrophobicContact CE2-CB 4.05Å; F833-F897 AromaticContact CE2-CD1 3.22Å; F833-F897 HydrophobicContact CE2-CD1 3.22Å; F833-F897 AromaticContact CE2-CE1 3.89Å; F833-F897 HydrophobicContact CE2-CE1 3.89Å; F833-F897 AromaticContact CE2-CG 3.9Å; F833-F897 HydrophobicContact CE2-CG 3.9Å; F833-F897 AromaticContact CZ-CD1 3.51Å; F833-F897 HydrophobicContact CZ-CD1 3.51Å; F833-F897 AromaticContact CZ-CE1 3.71Å; F833-F897 HydrophobicContact CZ-CE1 3.71Å; E895-F897 PolarHBondContact O-N 2.88Å
898	V	55.6	Low	53.4	Low	0 Å²	0	63.5 Å²	63.5	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	112.9	178.2	-177.6	0	0	0	0	108.9	L830 V831 T832 F833 P889 T891 L894 L900	L830-V898 HydrophobicContact CD1-CG2 3.76Å; V831-V898 PolarHBondContact O-N 3.11Å; T832-V898 CarbonylContact C-O 3.54Å; T832-V898 VanDerWaalsContact CA-O 3.31Å; T832-V898 WeakPolarHBondContact CA-O 3.49Å; T832-V898 HydrophobicContact CG2-CB 4.31Å; F833-V898 PolarHBondContact N-O 3.2Å; P889-V898 HydrophobicContact CB-CG1 3.82Å; T891-V898 HydrophobicContact CG2-CG1 4.03Å; T891-V898 HydrophobicContact CG2-CG2 4.17Å; L894-V898 HydrophobicContact CB-CG2 4.47Å; L894-V898 HydrophobicContact CD2-CB 4.22Å; L894-V898 HydrophobicContact CD2-CG1 3.67Å; L894-V898 HydrophobicContact CD2-CG2 3.79Å; V898-L900 HydrophobicContact CG1-CD2 3.83Å
899	I	59.4	Low	53.3	Low	3 Å²	3	62.3 Å²	62.3	2%	0.015	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	126.4	165.7	-49.7	174.4	0	0	0	108.6	V289 K292 Q293 F296 F833 L837 V890	V289-I899 HydrophobicContact CG1-CB 4.31Å; V289-I899 HydrophobicContact CG1-CG2 3.76Å; K292-I899 HydrophobicContact CB-CD1 3.75Å; Q293-I899 HydrophobicContact CG-CB 3.95Å; Q293-I899 HydrophobicContact CG-CD1 3.9Å; Q293-I899 HydrophobicContact CG-CG1 3.89Å; Q293-I899 PolarHBondContact NE2-O 3.11Å; F296-I899 HydrophobicContact CE2-CD1 4.48Å; F833-I899 HydrophobicContact CB-CG1 4.34Å; L837-I899 HydrophobicContact CD2-CD1 4.18Å; V890-I899 PolarHBondContact N-O 3.39Å
900	L	57.4	Low	53	Low	0 Å²	0	63.3 Å²	63.3	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	128	178.4	-64.7	-178.5	0	0	0	109.3	T832 F833 V842 L882 F887 P889 V898	T832-L900 HydrophobicContact CG2-CD1 3.75Å; T832-L900 HydrophobicContact CG2-CD2 4.43Å; T832-L900 HydrophobicContact CG2-CG 4.07Å; F833-L900 PolarHBondContact O-N 2.98Å; V842-L900 HydrophobicContact CB-CD1 4.13Å; V842-L900 HydrophobicContact CG1-CD1 4.26Å; V842-L900 HydrophobicContact CG2-CD1 3.67Å; L882-L900 HydrophobicContact CD1-CD2 3.86Å; L882-L900 HydrophobicContact CD2-CD1 4.29Å; L882-L900 HydrophobicContact CD2-CD2 4.33Å; F887-L900 HydrophobicContact CB-CB 4.14Å; F887-L900 HydrophobicContact CB-CD1 4.13Å; F887-L900 HydrophobicContact CD1-CB 4.02Å; F887-L900 HydrophobicContact CG-CB 4.41Å; F887-L900 HydrophobicContact CG-CD1 4.33Å; P889-L900 HydrophobicContact CB-CD2 3.82Å; V898-L900 HydrophobicContact CG1-CD2 3.83Å
901	R	60.7	Low	52.7	Low	73 Å²	73	65.1 Å²	65.1	28%	0.275	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	148.1	166.4	-66.1	-174.5	-158.3	-156.7	2	110.5	D287 V289 E835 F887 L888 V890	D287-R901 IonicContact OD1-CZ 3.98Å; D287-R901 IonicContact OD1-NH1 2.96Å; D287-R901 IonicContact OD1-NH2 3.54Å; D287-R901 PolarHBondContact OD1-NH2 3.29Å; D287-R901 IonicContact OD2-CZ 3.92Å; D287-R901 VanDerWaalsContact OD2-CZ 3.24Å; D287-R901 IonicContact OD2-NH1 2.89Å; D287-R901 PolarHBondContact OD2-NH1 3.16Å; D287-R901 IonicContact OD2-NH2 3.44Å; D287-R901 PolarHBondContact OD2-NH2 2.86Å; V289-R901 HydrophobicContact CG1-CG 4.4Å; E835-R901 HydrophobicContact CG-CG 4.15Å; E835-R901 WeakPolarHBondContact OE1-CA 3.48Å; E835-R901 WeakPolarHBondContact OE1-CB 3.25Å; F887-R901 CarbonylContact C-O 3.59Å; F887-R901 VanDerWaalsContact CA-O 3.29Å; F887-R901 WeakPolarHBondContact CA-O 3.1Å; L888-R901 PolarHBondContact N-O 2.76Å; L888-R901 PolarHBondContact O-N 3.02Å; V890-R901 HydrophobicContact CG2-CG 3.76Å
902	K	57.2	Low	52.6	Low	106 Å²	106	67.9 Å²	67.9	46%	0.461	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	133.5	170.7	-67.3	177.4	-175	80.2	0	109.1	D834 E835 F887 P904	D834-K902 IonicContact OD1-NZ 2.85Å; D834-K902 PolarHBondContact OD1-NZ 3.37Å; D834-K902 IonicContact OD2-NZ 2.7Å; D834-K902 PolarHBondContact OD2-NZ 3.1Å; E835-K902 PolarHBondContact OE1-N 3.02Å; E835-K902 VanDerWaalsContact OE1-N 3.08Å; F887-K902 HydrophobicContact CD1-CG 4.11Å; F887-K902 HydrophobicContact CE1-CG 3.61Å; F887-K902 HydrophobicContact CZ-CG 4.4Å; K902-P904 VanDerWaalsContact O-CD 3.26Å; K902-P904 WeakPolarHBondContact O-CD 2.97Å
903	N	54.2	Low	52.6	Low	29 Å²	29	67.2 Å²	67.2	16%	0.155	34%	0.338	C	S	.	.			trans	-72.9	113.1	-177.3	-178.4	-3	0	0	0	110.5	E885 E886 L888 N905 Y906	E885-N903 WeakPolarHBondContact O-CB 3.49Å; E885-N903 PolarHBondContact O-ND2 3.01Å; E886-N903 WeakPolarHBondContact O-CB 3.41Å; E886-N903 PolarHBondContact O-N 3.07Å; L888-N903 HydrophobicContact CD1-CB 4.32Å; L888-N903 HydrophobicContact CG-CB 4.14Å; N903-N905 PolarHBondContact O-N 2.94Å; N903-N905 VanDerWaalsContact O-N 3.08Å; N903-N905 PolarHBondContact OD1-N 3Å; N903-N905 VanDerWaalsContact OD1-N 3.08Å; N903-Y906 PolarHBondContact O-N 2.73Å
904	P	51.2	Low	52.5	Low	107 Å²	107	68.3 Å²	68.3	70%	0.695	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-10.2	-176.4	30.1	-36.7	0	0	0	113.7	K902	K902-P904 VanDerWaalsContact O-CD 3.26Å; K902-P904 WeakPolarHBondContact O-CD 2.97Å
905	N	49.8	Very low	52.4	Low	117 Å²	117	72.3 Å²	72.3	63%	0.626	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	8.1	179.3	-62.5	-38.4	0	0	0	113.6	N903	N903-N905 PolarHBondContact O-N 2.94Å; N903-N905 VanDerWaalsContact O-N 3.08Å; N903-N905 PolarHBondContact OD1-N 3Å; N903-N905 VanDerWaalsContact OD1-N 3.08Å
906	Y	45.6	Very low	52.2	Low	130 Å²	130	73.9 Å²	73.9	51%	0.51	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-23.9	-177.9	-166	-101.4	0	0	0	114.1	E886 N903 L908	E886-Y906 HydrophobicContact CG-CD1 4.13Å; E886-Y906 HydrophobicContact CG-CD2 4.02Å; E886-Y906 HydrophobicContact CG-CE1 3.59Å; E886-Y906 HydrophobicContact CG-CE2 3.5Å; E886-Y906 VanDerWaalsContact CG-CE2 3.5Å; E886-Y906 HydrophobicContact CG-CG 4.3Å; E886-Y906 WeakPolarHBondContact CG-OH 3.42Å; E886-Y906 PolarHBondContact OE1-OH 2.8Å; N903-Y906 PolarHBondContact O-N 2.73Å; Y906-L908 PolarHBondContact O-N 3.45Å
907	D	38.6	Very low	51.8	Low	165 Å²	165	79.5 Å²	79.5	88%	0.882	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	30.8	179.9	-80	-36.2	0	0	0	113.5
908	L	36	Very low	51.4	Low	208 Å²	208	85.3 Å²	85.3	100%	1.089	43%	0.428	S	S	*	.			trans	-128.5	0	-174.2	-106.8	169.8	0	0	0	114.9	Y906	Y906-L908 PolarHBondContact O-N 3.45Å

Retrieved 908 of 908 residues in 778.6 ms (Link to these results)

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