A0A3Q0KQ67_SCHMA Loading...

Putative potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel

AlphaFold DB , UniProt , Accession A0A3Q0KQ67, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 857 aa.

						>A0A3Q0KQ67_SCHMA|A0A3Q0KQ67
MQEQFNQLLVCEKKMNRKLLSFQTSTINDTNDIPLKSSSEIWELQHLNLNQHIDDINDMSTEQKTEMHVQPENIKVFREMSDKKLPADKDKSNNMKKLNNKLRFRYYSVGLLNSLHLLTADSNCNIDTTNKTCAPIKRLKQPHTRRYTINLPEQKDELKSLSFNEVASYMDIGGDNSILNEIEEPLSLDTKTPYSHQRQSVINNNIDNKSSFRERGWSLYNLKEQFISFFQPSDNKLALKLFGNKVALACEKRRQREQGKWIIHPCSNFRFYWNVIMLILLMANLIMLPVIISFFNDDLPGNWLIFNSISDTLFILDIIVNFRTGIIRNDFVDDIILDPTEIAREYLKTWFILDMISSIPMDYVLFAFKGYEQGERAEHLVQAGRALRILRLAKLLSLLRLLRLSRLVRYITQWEEFINIASKFMGICNLVLIMLILGHWNACLQFLVPMLMDFPVDSWVSKARLQNAYWFEQYTWALFKALSHMLSIGYGRYPPSTLPEAWITIISMMTGATCYALFVGHAAALIQSFDASKRKYREMLKQVEEYMAYKKYPRALRRRIAGYYEHRYKGKMFNEKEILGELSECLREQIINYNCRALVASVPIFANADQNFVSEVIVKLKQEVFQPGDLIIKEGTYGTKMYFIQEGVVNIITKDGILATRLSDGCYFGEICLLTNARRVASVEAETYCTLYSLDQKNFYDVLENYPEMRITLETVAAERLQSLGRRASIIQASNNKTDWSDYALKMADEVIKHQHNSNYSTKDNYCGKAQIKNESNKSIIQKNKSLASMDFTDALLETGLKTKLSNPVIVQSTELLNIHNQNDHFDKEIRLEMHQPIITTTHIHLPNEFESSITNA
					

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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	35.4	Very low	37.1	Very low	195 Å²	195	124.6 Å²	124.6	96%	0.961	63%	0.626	S	S	*	*				0	-54.3	0	-76.2	-142.5	-68.8	0	0	113.1	E3 Q4 F5	M1-E3 VanDerWaalsContact C-N 3.33Å; M1-E3 PolarHBondContact O-N 2.93Å; M1-Q4 PolarHBondContact O-N 3.34Å; M1-Q4 VanDerWaalsContact O-N 3.16Å; M1-F5 WeakPolarHBondContact O-CB 3.06Å; M1-F5 PolarHBondContact O-N 3.05Å
2	Q	28.1	Very low	36.8	Very low	161 Å²	161	123.4 Å²	123.4	75%	0.752	62%	0.617	S	S	*	*	H	α-helix	trans	-62.1	-35.2	-178	-154.8	138.8	-10.4	0	0	114.1	F5 N6	Q2-F5 PolarHBondContact O-N 3.2Å; Q2-N6 WeakPolarHBondContact O-CB 3.48Å; Q2-N6 PolarHBondContact O-N 3.01Å
3	E	35.9	Very low	36.5	Very low	159 Å²	159	124.6 Å²	124.6	74%	0.743	62%	0.616	S	S	*	*	H	α-helix	trans	-70	-37.2	174.2	-121.3	174.1	172.7	0	0	113.2	M1 N6 Q7	M1-E3 VanDerWaalsContact C-N 3.33Å; M1-E3 PolarHBondContact O-N 2.93Å; E3-N6 PolarHBondContact O-N 3.35Å; E3-Q7 WeakPolarHBondContact O-CG 3Å; E3-Q7 PolarHBondContact O-N 2.63Å
4	Q	39.9	Very low	36.4	Very low	137 Å²	137	126.5 Å²	126.5	64%	0.64	62%	0.619	S	S	*	*	H	α-helix	trans	-69.1	-38	172.8	-77.7	-178.1	-29.9	0	0	111.5	M1 Q7 L8	M1-Q4 PolarHBondContact O-N 3.34Å; M1-Q4 VanDerWaalsContact O-N 3.16Å; Q4-Q7 PolarHBondContact O-N 3.1Å; Q4-L8 WeakPolarHBondContact O-CB 3.35Å; Q4-L8 PolarHBondContact O-N 2.87Å
5	F	42.5	Very low	36.2	Very low	129 Å²	129	126.6 Å²	126.6	57%	0.566	62%	0.619	S	S	*	*	H	α-helix	trans	-62.2	-43.1	172.3	-170.5	-97.1	0	0	0	111.2	M1 Q2 Q7 L8 L9	M1-F5 WeakPolarHBondContact O-CB 3.06Å; M1-F5 PolarHBondContact O-N 3.05Å; Q2-F5 PolarHBondContact O-N 3.2Å; F5-Q7 PolarHBondContact O-N 3.35Å; F5-L8 PolarHBondContact O-N 3.44Å; F5-L9 HydrophobicContact CD1-CD1 4.2Å; F5-L9 HydrophobicContact CE1-CD1 3.53Å; F5-L9 HydrophobicContact CZ-CD1 3.9Å; F5-L9 WeakPolarHBondContact O-CB 3.48Å; F5-L9 PolarHBondContact O-N 2.96Å
6	N	41.6	Very low	36.2	Very low	89 Å²	89	123.4 Å²	123.4	48%	0.476	61%	0.606	S	S	.	*	H	α-helix	trans	-65.5	-36.1	175.7	-76.6	-18.6	0	0	0	112.9	Q2 E3 L9 V10	Q2-N6 WeakPolarHBondContact O-CB 3.48Å; Q2-N6 PolarHBondContact O-N 3.01Å; E3-N6 PolarHBondContact O-N 3.35Å; N6-L9 PolarHBondContact O-N 3.18Å; N6-V10 VanDerWaalsContact O-CG2 3.26Å; N6-V10 WeakPolarHBondContact O-CG2 3.39Å; N6-V10 PolarHBondContact O-N 2.71Å
7	Q	40.5	Very low	36.1	Very low	144 Å²	144	128.8 Å²	128.8	67%	0.673	62%	0.618	S	S	*	*	H	α-helix	trans	-69.1	-39.1	173.6	-72.8	-167.9	13.1	0	0	112.5	E3 Q4 F5 V10 C11	E3-Q7 WeakPolarHBondContact O-CG 3Å; E3-Q7 PolarHBondContact O-N 2.63Å; Q4-Q7 PolarHBondContact O-N 3.1Å; F5-Q7 PolarHBondContact O-N 3.35Å; Q7-V10 PolarHBondContact O-N 3.09Å; Q7-C11 PolarHBondContact O-N 3.16Å
8	L	35.9	Very low	36	Very low	123 Å²	123	130.6 Å²	130.6	64%	0.644	62%	0.623	S	S	*	*	H	α-helix	trans	-61.1	-44	171.7	-90.6	154.4	0	0	0	111.5	Q4 F5 V10 C11 E12	Q4-L8 WeakPolarHBondContact O-CB 3.35Å; Q4-L8 PolarHBondContact O-N 2.87Å; F5-L8 PolarHBondContact O-N 3.44Å; L8-V10 VanDerWaalsContact C-N 3.34Å; L8-V10 PolarHBondContact O-N 2.86Å; L8-C11 WeakPolarHBondContact O-CB 2.75Å; L8-C11 PolarHBondContact O-N 3.32Å; L8-E12 WeakPolarHBondContact O-CB 3.45Å; L8-E12 PolarHBondContact O-N 3.45Å
9	L	34.6	Very low	35.9	Very low	58 Å²	58	127.7 Å²	127.7	30%	0.304	61%	0.611	S	S	.	*	H	α-helix	trans	-67.2	-31.7	179.2	-142.1	116.9	0	0	0	112.8	F5 N6 K13	F5-L9 HydrophobicContact CD1-CD1 4.2Å; F5-L9 HydrophobicContact CE1-CD1 3.53Å; F5-L9 HydrophobicContact CZ-CD1 3.9Å; F5-L9 WeakPolarHBondContact O-CB 3.48Å; F5-L9 PolarHBondContact O-N 2.96Å; N6-L9 PolarHBondContact O-N 3.18Å; L9-K13 WeakPolarHBondContact O-CB 3.12Å; L9-K13 WeakPolarHBondContact O-CG 3.44Å; L9-K13 PolarHBondContact O-N 3.13Å
10	V	38.7	Very low	35.8	Very low	89 Å²	89	127.9 Å²	127.9	54%	0.539	62%	0.615	S	S	.	*	H	α-helix	trans	-73.6	-35.8	173.7	171.4	0	0	0	0	111.5	N6 Q7 L8 K14	N6-V10 VanDerWaalsContact O-CG2 3.26Å; N6-V10 WeakPolarHBondContact O-CG2 3.39Å; N6-V10 PolarHBondContact O-N 2.71Å; Q7-V10 PolarHBondContact O-N 3.09Å; L8-V10 VanDerWaalsContact C-N 3.34Å; L8-V10 PolarHBondContact O-N 2.86Å; V10-K14 PolarHBondContact O-N 2.83Å; V10-K14 VanDerWaalsContact O-N 3.14Å
11	C	34.7	Very low	35.7	Very low	87 Å²	87	126 Å²	126	59%	0.588	61%	0.614	S	S	*	*	H	α-helix	trans	-66.4	-43	170.7	-85.4	0	0	0	0	111.6	Q7 L8 K14 M15	Q7-C11 PolarHBondContact O-N 3.16Å; L8-C11 WeakPolarHBondContact O-CB 2.75Å; L8-C11 PolarHBondContact O-N 3.32Å; C11-K14 PolarHBondContact O-N 3.35Å; C11-M15 WeakPolarHBondContact O-CB 3.47Å; C11-M15 PolarHBondContact O-N 3.33Å
12	E	33.4	Very low	35.7	Very low	110 Å²	110	124.1 Å²	124.1	51%	0.514	60%	0.601	S	S	.	*	H	α-helix	trans	-63.3	-43.1	176.8	-162.4	-174.9	176.1	0	0	111.5	L8 K14 M15 N16	L8-E12 WeakPolarHBondContact O-CB 3.45Å; L8-E12 PolarHBondContact O-N 3.45Å; E12-K14 VanDerWaalsContact C-N 3.31Å; E12-K14 PolarHBondContact O-N 2.97Å; E12-M15 PolarHBondContact O-N 3.38Å; E12-M15 VanDerWaalsContact O-N 3.16Å; E12-N16 WeakPolarHBondContact O-CB 3.31Å; E12-N16 PolarHBondContact O-N 3.23Å
13	K	33.1	Very low	35.9	Very low	139 Å²	139	123.5 Å²	123.5	60%	0.604	60%	0.598	S	S	*	*	H	α-helix	trans	-63.7	-32.2	173.6	-79	-177.9	177.2	-179.8	0	113.4	L9 R17	L9-K13 WeakPolarHBondContact O-CB 3.12Å; L9-K13 WeakPolarHBondContact O-CG 3.44Å; L9-K13 PolarHBondContact O-N 3.13Å; K13-R17 PolarHBondContact O-N 2.84Å
14	K	35.7	Very low	35.7	Very low	151 Å²	151	121.2 Å²	121.2	66%	0.657	60%	0.595	S	S	*	*	H	α-helix	trans	-76.1	-31.2	173.3	-91.2	-178.2	176.4	175.5	0	112.8	V10 C11 E12	V10-K14 PolarHBondContact O-N 2.83Å; V10-K14 VanDerWaalsContact O-N 3.14Å; C11-K14 PolarHBondContact O-N 3.35Å; E12-K14 VanDerWaalsContact C-N 3.31Å; E12-K14 PolarHBondContact O-N 2.97Å
15	M	33.1	Very low	35.2	Very low	128 Å²	128	119.1 Å²	119.1	63%	0.631	60%	0.596	S	S	*	*	H	α-helix	trans	-77.6	-41.3	178.6	-151.1	166.6	176	0	0	111	C11 E12 R17 K18 L19	C11-M15 WeakPolarHBondContact O-CB 3.47Å; C11-M15 PolarHBondContact O-N 3.33Å; E12-M15 PolarHBondContact O-N 3.38Å; E12-M15 VanDerWaalsContact O-N 3.16Å; M15-R17 VanDerWaalsContact C-N 3.34Å; M15-R17 PolarHBondContact O-N 2.97Å; M15-K18 CarbonylContact O-C 3.46Å; M15-K18 WeakPolarHBondContact O-CA 3.48Å; M15-K18 PolarHBondContact O-N 3.38Å; M15-L19 HydrophobicContact CG-CD1 4.21Å; M15-L19 PolarHBondContact O-N 3.31Å
16	N	36.6	Very low	34.6	Very low	76 Å²	76	119.1 Å²	119.1	41%	0.406	61%	0.607	S	S	.	*	H	α-helix	trans	-65.2	-32.3	175.2	-76.8	-18.8	0	0	0	112.8	E12 K18 L19 L20	E12-N16 WeakPolarHBondContact O-CB 3.31Å; E12-N16 PolarHBondContact O-N 3.23Å; N16-K18 VanDerWaalsContact C-N 3.27Å; N16-K18 PolarHBondContact O-N 2.97Å; N16-L19 PolarHBondContact O-N 3.44Å; N16-L20 WeakPolarHBondContact O-CB 3.36Å; N16-L20 PolarHBondContact O-N 3.01Å
17	R	34.2	Very low	34.2	Very low	215 Å²	215	122 Å²	122	81%	0.811	62%	0.621	S	S	*	*	H	α-helix	trans	-68.3	-21.8	170.5	-79.8	-173.5	-175.2	-173.1	1.5	114.2	K13 M15	K13-R17 PolarHBondContact O-N 2.84Å; M15-R17 VanDerWaalsContact C-N 3.34Å; M15-R17 PolarHBondContact O-N 2.97Å
18	K	34.3	Very low	33.8	Very low	161 Å²	161	121.9 Å²	121.9	70%	0.7	63%	0.625	S	S	*	*	H	α-helix	trans	-92.2	-25.8	172.5	-80.7	-172.8	173	-172.5	0	112.9	M15 N16 S21	M15-K18 CarbonylContact O-C 3.46Å; M15-K18 WeakPolarHBondContact O-CA 3.48Å; M15-K18 PolarHBondContact O-N 3.38Å; N16-K18 VanDerWaalsContact C-N 3.27Å; N16-K18 PolarHBondContact O-N 2.97Å; K18-S21 PolarHBondContact O-OG 2.65Å
19	L	34.7	Very low	33.4	Very low	75 Å²	75	123.7 Å²	123.7	39%	0.393	64%	0.635	S	S	.	*	H	α-helix	trans	-78.7	-33.5	175.2	-95.6	149.2	0	0	0	112.7	M15 N16 S21 F22 Q23	M15-L19 HydrophobicContact CG-CD1 4.21Å; M15-L19 PolarHBondContact O-N 3.31Å; N16-L19 PolarHBondContact O-N 3.44Å; L19-S21 PolarHBondContact O-N 3.16Å; L19-F22 WeakPolarHBondContact O-CA 3.41Å; L19-F22 PolarHBondContact O-N 2.84Å; L19-Q23 PolarHBondContact O-N 3.44Å; L19-Q23 VanDerWaalsContact O-N 3.11Å
20	L	34	Very low	33.2	Very low	132 Å²	132	127 Å²	127	69%	0.691	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.3	-20	170.8	-92.4	145.3	0	0	0	113.3	N16 F22	N16-L20 WeakPolarHBondContact O-CB 3.36Å; N16-L20 PolarHBondContact O-N 3.01Å; L20-F22 VanDerWaalsContact C-N 3.32Å
21	S	33.7	Very low	32.7	Very low	87 Å²	87	129.5 Å²	129.5	61%	0.608	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	-3.2	167.4	55.5	0	0	0	0	114.1	K18 L19	K18-S21 PolarHBondContact O-OG 2.65Å; L19-S21 PolarHBondContact O-N 3.16Å
22	F	34.1	Very low	32.4	Very low	157 Å²	157	133 Å²	133	69%	0.689	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115	-16.8	-174.5	-141.2	-95.6	0	0	0	113.4	L19 L20 T24	L19-F22 WeakPolarHBondContact O-CA 3.41Å; L19-F22 PolarHBondContact O-N 2.84Å; L20-F22 VanDerWaalsContact C-N 3.32Å; F22-T24 PolarHBondContact O-N 3.28Å
23	Q	33	Very low	32.4	Very low	147 Å²	147	135 Å²	135	69%	0.687	69%	0.693	S	S	*	*	S	Bend	trans	-86.4	9.8	-174	-94.1	-176.2	-49.5	0	0	116.7	L19	L19-Q23 PolarHBondContact O-N 3.44Å; L19-Q23 VanDerWaalsContact O-N 3.11Å
24	T	30.4	Very low	32.4	Very low	111 Å²	111	134 Å²	134	68%	0.681	70%	0.701	S	S	*	*	S	Bend	trans	-103.4	30.6	176.1	46.8	0	0	0	0	114.5	F22	F22-T24 PolarHBondContact O-N 3.28Å
25	S	30.7	Very low	32.2	Very low	93 Å²	93	135.1 Å²	135.1	65%	0.65	71%	0.713	S	S	*	*	S	Bend	trans	-142.7	16.6	-179.3	67.2	0	0	0	0	118.4
26	T	30.5	Very low	32.2	Very low	129 Å²	129	135.4 Å²	135.4	79%	0.791	71%	0.711	S	S	*	*			trans	-142.2	79.8	172.1	51.8	0	0	0	0	110.5
27	I	33	Very low	32.1	Very low	150 Å²	150	132.9 Å²	132.9	77%	0.769	70%	0.7	S	S	*	*			trans	-126	124	162.2	-68.9	177.5	0	0	0	106.3
28	N	30.4	Very low	31.9	Very low	142 Å²	142	124.6 Å²	124.6	76%	0.759	68%	0.675	S	S	*	*			trans	77.8	103.4	165.8	-62	-7.7	0	0	0	118.9
29	D	28.1	Very low	31.9	Very low	160 Å²	160	118.7 Å²	118.7	86%	0.856	65%	0.653	S	S	*	*			trans	-40.1	126.1	135.5	-66.4	-47.7	0	0	0	110.8
30	T	31.3	Very low	32	Very low	127 Å²	127	119 Å²	119	78%	0.779	65%	0.653	S	S	*	*			trans	171.7	115.3	144.8	30.6	0	0	0	0	108.9
31	N	28.1	Very low	32.4	Very low	143 Å²	143	116.2 Å²	116.2	77%	0.765	64%	0.638	S	S	*	*	S	Bend	trans	21.2	123.9	152.9	-57.1	-17	0	0	0	119.7
32	D	27	Very low	32.8	Very low	161 Å²	161	119.4 Å²	119.4	86%	0.861	64%	0.637	S	S	*	*			trans	54.9	68.7	144.9	-61.7	-31.2	0	0	0	119.2
33	I	33.9	Very low	33.2	Very low	150 Å²	150	118.1 Å²	118.1	77%	0.769	63%	0.633	S	S	*	*			trans	-141.4	129.3	156.3	-52.5	178.1	0	0	0	109.9	L35	I33-L35 PolarHBondContact O-N 3.04Å
34	P	33.1	Very low	33.7	Very low	119 Å²	119	115.5 Å²	115.5	77%	0.773	62%	0.623	S	S	*	*			trans	-69.4	119.2	-177	28.5	-34.1	0	0	0	111.2	K36	P34-K36 PolarHBondContact O-N 3.12Å
35	L	31.8	Very low	34.3	Very low	174 Å²	174	115 Å²	115	91%	0.911	61%	0.613	S	S	*	*			trans	-57	113.2	-179.8	-78	154.7	0	0	0	111.9	I33	I33-L35 PolarHBondContact O-N 3.04Å
36	K	34.3	Very low	35.3	Very low	135 Å²	135	112.8 Å²	112.8	59%	0.587	59%	0.592	S	S	*	*			trans	-64.9	154.1	169.2	-82.3	-179.6	178.7	178.1	0	111.5	P34 E40	P34-K36 PolarHBondContact O-N 3.12Å; K36-E40 HydrophobicContact CB-CB 4.23Å; K36-E40 VanDerWaalsContact CB-OE2 3.31Å; K36-E40 WeakPolarHBondContact CB-OE2 3.32Å
37	S	32.7	Very low	36.3	Very low	23 Å²	23	111.7 Å²	111.7	16%	0.161	58%	0.581	C	S	.	*			trans	-67.2	152.2	-172.1	63.9	0	0	0	0	114	S39 E40 I41	S37-S39 PolarHBondContact O-N 3.19Å; S37-S39 PolarHBondContact OG-OG 3.05Å; S37-E40 PolarHBondContact N-OE2 2.89Å; S37-E40 WeakPolarHBondContact O-CA 3.44Å; S37-E40 WeakPolarHBondContact O-CB 3.36Å; S37-E40 PolarHBondContact O-N 3.02Å; S37-E40 WeakPolarHBondContact OG-CG 3.31Å; S37-E40 PolarHBondContact OG-OE2 3.02Å; S37-I41 PolarHBondContact O-N 3.33Å
38	S	31.7	Very low	37.4	Very low	41 Å²	41	109.6 Å²	109.6	29%	0.287	57%	0.571	S	S	.	*	H	α-helix	trans	-60.4	-17.9	-178.9	-58.6	0	0	0	0	115.2	W42 E545	S38-W42 PolarHBondContact O-N 3.1Å; S38-E545 VanDerWaalsContact CB-CD 3.42Å; S38-E545 WeakPolarHBondContact CB-OE1 3.47Å; S38-E545 WeakPolarHBondContact OG-CG 3.25Å; S38-E545 PolarHBondContact OG-OE1 3.18Å
39	S	33.6	Very low	38.4	Very low	36 Å²	36	105.6 Å²	105.6	25%	0.252	55%	0.55	S	S	.	.	H	α-helix	trans	-76.2	-34.3	168.9	65.2	0	0	0	0	113.3	S37 I41 W42 E43 Y549	S37-S39 PolarHBondContact O-N 3.19Å; S37-S39 PolarHBondContact OG-OG 3.05Å; S39-I41 VanDerWaalsContact C-N 3.32Å; S39-W42 PolarHBondContact O-N 2.83Å; S39-E43 PolarHBondContact O-N 3.04Å; S39-E43 VanDerWaalsContact O-N 3.08Å; S39-Y549 VanDerWaalsContact CB-CD2 3.43Å
40	E	37.4	Very low	40	Very low	81 Å²	81	101.2 Å²	101.2	38%	0.379	53%	0.526	S	S	.	.	H	α-helix	trans	-71.3	-31	172.2	-68.2	167	129.3	0	0	110.7	K36 S37 W42 E43 L44	K36-E40 HydrophobicContact CB-CB 4.23Å; K36-E40 VanDerWaalsContact CB-OE2 3.31Å; K36-E40 WeakPolarHBondContact CB-OE2 3.32Å; S37-E40 PolarHBondContact N-OE2 2.89Å; S37-E40 WeakPolarHBondContact O-CA 3.44Å; S37-E40 WeakPolarHBondContact O-CB 3.36Å; S37-E40 PolarHBondContact O-N 3.02Å; S37-E40 WeakPolarHBondContact OG-CG 3.31Å; S37-E40 PolarHBondContact OG-OE2 3.02Å; E40-W42 VanDerWaalsContact C-N 3.34Å; E40-E43 PolarHBondContact O-N 3.14Å; E40-L44 VanDerWaalsContact O-CB 3.24Å; E40-L44 WeakPolarHBondContact O-CB 3.2Å; E40-L44 WeakPolarHBondContact O-CG 3.45Å; E40-L44 PolarHBondContact O-N 3.11Å
41	I	40.7	Very low	41.6	Very low	74 Å²	74	100.5 Å²	100.5	38%	0.379	51%	0.514	S	S	.	.	H	α-helix	trans	-63.8	-40.6	171.1	-60.7	176.6	0	0	0	110.6	S37 S39 L44 Q45	S37-I41 PolarHBondContact O-N 3.33Å; S39-I41 VanDerWaalsContact C-N 3.32Å; I41-L44 PolarHBondContact O-N 3.26Å; I41-Q45 HydrophobicContact CG2-CG 4.39Å; I41-Q45 VanDerWaalsContact O-CB 3.3Å; I41-Q45 WeakPolarHBondContact O-CB 3.48Å; I41-Q45 VanDerWaalsContact O-CG 3.29Å; I41-Q45 WeakPolarHBondContact O-CG 3.42Å; I41-Q45 PolarHBondContact O-N 3.1Å
42	W	43.3	Very low	43.1	Very low	155 Å²	155	99.4 Å²	99.4	59%	0.587	50%	0.504	S	S	*	.	H	α-helix	trans	-66.7	-43.6	176.3	-168.5	81.2	0	0	0	112.4	S38 S39 E40 Q45 H46	S38-W42 PolarHBondContact O-N 3.1Å; S39-W42 PolarHBondContact O-N 2.83Å; E40-W42 VanDerWaalsContact C-N 3.34Å; W42-Q45 PolarHBondContact O-N 3.27Å; W42-H46 AromaticContact CE2-CD2 3.7Å; W42-H46 AromaticContact CH2-CD2 3.23Å; W42-H46 WeakPolarHBondContact CH2-CD2 3.37Å; W42-H46 AromaticContact CH2-NE2 3.54Å; W42-H46 AromaticContact CZ2-CD2 3.27Å; W42-H46 WeakPolarHBondContact CZ2-CD2 3.32Å; W42-H46 AromaticContact CZ2-NE2 3.48Å; W42-H46 WeakPolarHBondContact CZ2-NE2 3.49Å; W42-H46 AromaticContact CZ3-CD2 3.65Å; W42-H46 WeakPolarHBondContact O-CB 3.11Å; W42-H46 PolarHBondContact O-N 3.5Å
43	E	41.4	Very low	44.8	Very low	129 Å²	129	92.6 Å²	92.6	60%	0.603	47%	0.467	S	S	*	.	H	α-helix	trans	-65.6	-40.1	174.7	-77.5	-151.6	171.9	0	0	112.5	S39 E40 Q45 H46 L47	S39-E43 PolarHBondContact O-N 3.04Å; S39-E43 VanDerWaalsContact O-N 3.08Å; E40-E43 PolarHBondContact O-N 3.14Å; E43-Q45 VanDerWaalsContact C-N 3.34Å; E43-H46 PolarHBondContact O-N 3.28Å; E43-L47 WeakPolarHBondContact O-CB 3.29Å; E43-L47 PolarHBondContact O-N 3.4Å
44	L	45.4	Very low	46.6	Very low	93 Å²	93	89.8 Å²	89.8	49%	0.487	45%	0.454	S	S	.	.	H	α-helix	trans	-66	-36.7	175.3	-74.4	169.2	0	0	0	111.9	E40 I41 N48	E40-L44 VanDerWaalsContact O-CB 3.24Å; E40-L44 WeakPolarHBondContact O-CB 3.2Å; E40-L44 WeakPolarHBondContact O-CG 3.45Å; E40-L44 PolarHBondContact O-N 3.11Å; I41-L44 PolarHBondContact O-N 3.26Å; L44-N48 VanDerWaalsContact O-CB 3.3Å; L44-N48 WeakPolarHBondContact O-CB 3.47Å; L44-N48 PolarHBondContact O-N 2.64Å
45	Q	42	Very low	48.3	Very low	99 Å²	99	88.3 Å²	88.3	46%	0.463	44%	0.44	S	S	.	.	H	α-helix	trans	-68.1	-38.6	173.4	-79.8	178.7	-28.4	0	0	111.8	I41 W42 E43 L49	I41-Q45 HydrophobicContact CG2-CG 4.39Å; I41-Q45 VanDerWaalsContact O-CB 3.3Å; I41-Q45 WeakPolarHBondContact O-CB 3.48Å; I41-Q45 VanDerWaalsContact O-CG 3.29Å; I41-Q45 WeakPolarHBondContact O-CG 3.42Å; I41-Q45 PolarHBondContact O-N 3.1Å; W42-Q45 PolarHBondContact O-N 3.27Å; E43-Q45 VanDerWaalsContact C-N 3.34Å; Q45-L49 VanDerWaalsContact O-CB 3.29Å; Q45-L49 WeakPolarHBondContact O-CB 3.35Å; Q45-L49 PolarHBondContact O-N 3.05Å
46	H	52.3	Low	50	Low	47 Å²	47	81.7 Å²	81.7	22%	0.218	41%	0.405	C	S	.	.	H	α-helix	trans	-67.6	-41.7	175.8	-124.5	-53.9	0	0	0	112.3	W42 E43 L49 N50 S81	W42-H46 AromaticContact CE2-CD2 3.7Å; W42-H46 AromaticContact CH2-CD2 3.23Å; W42-H46 WeakPolarHBondContact CH2-CD2 3.37Å; W42-H46 AromaticContact CH2-NE2 3.54Å; W42-H46 AromaticContact CZ2-CD2 3.27Å; W42-H46 WeakPolarHBondContact CZ2-CD2 3.32Å; W42-H46 AromaticContact CZ2-NE2 3.48Å; W42-H46 WeakPolarHBondContact CZ2-NE2 3.49Å; W42-H46 AromaticContact CZ3-CD2 3.65Å; W42-H46 WeakPolarHBondContact O-CB 3.11Å; W42-H46 PolarHBondContact O-N 3.5Å; E43-H46 PolarHBondContact O-N 3.28Å; H46-L49 PolarHBondContact O-N 3.47Å; H46-N50 PolarHBondContact O-N 3.22Å; H46-S81 PolarHBondContact CE1-OG 3.38Å
47	L	51.8	Low	51.7	Low	106 Å²	106	78.4 Å²	78.4	56%	0.555	39%	0.394	S	S	*	.	H	α-helix	trans	-63.8	-47.1	174.1	-93.7	146.4	0	0	0	111.2	E43 L49 N50 Q51	E43-L47 WeakPolarHBondContact O-CB 3.29Å; E43-L47 PolarHBondContact O-N 3.4Å; L47-L49 VanDerWaalsContact C-N 3.33Å; L47-L49 PolarHBondContact O-N 2.94Å; L47-N50 PolarHBondContact O-N 2.81Å; L47-Q51 VanDerWaalsContact O-CB 3.29Å; L47-Q51 WeakPolarHBondContact O-CB 3.3Å; L47-Q51 PolarHBondContact O-N 2.84Å
48	N	54.8	Low	53.7	Low	107 Å²	107	84.1 Å²	84.1	57%	0.572	42%	0.423	S	S	*	.	H	α-helix	trans	-63.7	-37.1	176.5	-99.5	-14.3	0	0	0	112.4	L44 H52	L44-N48 VanDerWaalsContact O-CB 3.3Å; L44-N48 WeakPolarHBondContact O-CB 3.47Å; L44-N48 PolarHBondContact O-N 2.64Å; N48-H52 WeakPolarHBondContact O-CB 3.43Å; N48-H52 PolarHBondContact O-N 3.38Å
49	L	52	Low	55.5	Low	58 Å²	58	84 Å²	84	30%	0.304	42%	0.418	S	S	.	.	H	α-helix	trans	-68.5	-43.1	179.3	-162.1	79.7	0	0	0	111.3	Q45 H46 L47 H52 I53 F77	Q45-L49 VanDerWaalsContact O-CB 3.29Å; Q45-L49 WeakPolarHBondContact O-CB 3.35Å; Q45-L49 PolarHBondContact O-N 3.05Å; H46-L49 PolarHBondContact O-N 3.47Å; L47-L49 VanDerWaalsContact C-N 3.33Å; L47-L49 PolarHBondContact O-N 2.94Å; L49-H52 PolarHBondContact O-N 2.78Å; L49-I53 HydrophobicContact CG-CD1 4.44Å; L49-I53 VanDerWaalsContact O-CG1 3.28Å; L49-I53 WeakPolarHBondContact O-CG1 3.25Å; L49-I53 PolarHBondContact O-N 2.76Å; L49-F77 HydrophobicContact CD1-CD1 4.07Å; L49-F77 HydrophobicContact CD1-CE1 4.26Å; L49-F77 HydrophobicContact CD2-CD1 4.44Å
50	N	60.7	Low	57.2	Low	68 Å²	68	84.8 Å²	84.8	36%	0.364	42%	0.423	S	S	.	.	H	α-helix	trans	-66.4	-41.4	176.6	-75.4	-18.5	0	0	0	111.4	H46 L47 H52 I53 D54	H46-N50 PolarHBondContact O-N 3.22Å; L47-N50 PolarHBondContact O-N 2.81Å; N50-H52 VanDerWaalsContact C-N 3.35Å; N50-H52 PolarHBondContact O-N 2.91Å; N50-I53 PolarHBondContact O-N 3.2Å; N50-I53 VanDerWaalsContact O-N 3.14Å; N50-D54 PolarHBondContact O-N 2.84Å
51	Q	65.2	Low	58.7	Low	111 Å²	111	86.6 Å²	86.6	52%	0.519	44%	0.44	S	S	.	.	H	α-helix	trans	-64.2	-39.3	176.1	-165.2	158.4	0.5	0	0	111.8	L47 I53 D54 D55	L47-Q51 VanDerWaalsContact O-CB 3.29Å; L47-Q51 WeakPolarHBondContact O-CB 3.3Å; L47-Q51 PolarHBondContact O-N 2.84Å; Q51-I53 VanDerWaalsContact C-N 3.33Å; Q51-I53 PolarHBondContact O-N 3.49Å; Q51-D54 PolarHBondContact O-N 3.46Å; Q51-D55 WeakPolarHBondContact O-CB 3.47Å; Q51-D55 PolarHBondContact O-N 2.99Å
52	H	59.9	Low	59.9	Low	120 Å²	120	90.4 Å²	90.4	56%	0.556	46%	0.456	S	S	*	.	H	α-helix	trans	-64.8	-35.8	172.6	-115.4	-43	0	0	0	113.1	N48 L49 N50 D54 I56	N48-H52 WeakPolarHBondContact O-CB 3.43Å; N48-H52 PolarHBondContact O-N 3.38Å; L49-H52 PolarHBondContact O-N 2.78Å; N50-H52 VanDerWaalsContact C-N 3.35Å; N50-H52 PolarHBondContact O-N 2.91Å; H52-D54 VanDerWaalsContact C-N 3.34Å; H52-I56 WeakPolarHBondContact O-CB 3.46Å; H52-I56 WeakPolarHBondContact O-CG1 3.48Å; H52-I56 PolarHBondContact O-N 2.95Å
53	I	62.8	Low	60.5	Low	18 Å²	18	87.4 Å²	87.4	9%	0.092	45%	0.449	C	S	.	.	H	α-helix	trans	-67.3	-39.3	175.8	-71.3	166.7	0	0	0	110.2	L49 N50 Q51 I56 N57 F77	L49-I53 HydrophobicContact CG-CD1 4.44Å; L49-I53 VanDerWaalsContact O-CG1 3.28Å; L49-I53 WeakPolarHBondContact O-CG1 3.25Å; L49-I53 PolarHBondContact O-N 2.76Å; N50-I53 PolarHBondContact O-N 3.2Å; N50-I53 VanDerWaalsContact O-N 3.14Å; Q51-I53 VanDerWaalsContact C-N 3.33Å; Q51-I53 PolarHBondContact O-N 3.49Å; I53-I56 PolarHBondContact O-N 2.91Å; I53-N57 PolarHBondContact O-N 3.25Å; I53-N57 PolarHBondContact O-ND2 3.46Å; I53-F77 HydrophobicContact CD1-CB 4.41Å
54	D	71.6	Confident	61.1	Low	92 Å²	92	84.4 Å²	84.4	49%	0.492	43%	0.434	S	S	.	.	H	α-helix	trans	-68.1	-43.8	176.5	-68.9	-21.6	0	0	0	111.2	N50 Q51 H52 I56 N57 D58	N50-D54 PolarHBondContact O-N 2.84Å; Q51-D54 PolarHBondContact O-N 3.46Å; H52-D54 VanDerWaalsContact C-N 3.34Å; D54-I56 VanDerWaalsContact C-N 3.32Å; D54-I56 PolarHBondContact O-N 2.89Å; D54-N57 WeakPolarHBondContact O-CA 3.47Å; D54-N57 WeakPolarHBondContact O-CB 3.45Å; D54-N57 PolarHBondContact O-N 3.23Å; D54-D58 PolarHBondContact O-N 3.23Å
55	D	70.1	Confident	61.8	Low	87 Å²	87	85 Å²	85	47%	0.465	44%	0.441	S	S	.	.	H	α-helix	trans	-59.1	-42.7	173.7	-68.7	-21.3	0	0	0	111.5	Q51 N57 D58 M59	Q51-D55 WeakPolarHBondContact O-CB 3.47Å; Q51-D55 PolarHBondContact O-N 2.99Å; D55-N57 VanDerWaalsContact C-N 3.31Å; D55-N57 PolarHBondContact O-N 3.01Å; D55-D58 PolarHBondContact O-N 3.49Å; D55-M59 WeakPolarHBondContact O-CG 3.3Å; D55-M59 PolarHBondContact O-N 2.88Å; D55-M59 VanDerWaalsContact O-N 3.13Å
56	I	66.4	Low	62.2	Low	36 Å²	36	88.3 Å²	88.3	19%	0.185	46%	0.457	C	S	.	.	H	α-helix	trans	-65.7	-35.9	174.9	-69	169.1	0	0	0	110.6	H52 I53 D54 D58 M59 K64 V69 I74	H52-I56 WeakPolarHBondContact O-CB 3.46Å; H52-I56 WeakPolarHBondContact O-CG1 3.48Å; H52-I56 PolarHBondContact O-N 2.95Å; I53-I56 PolarHBondContact O-N 2.91Å; D54-I56 VanDerWaalsContact C-N 3.32Å; D54-I56 PolarHBondContact O-N 2.89Å; I56-D58 VanDerWaalsContact C-N 3.34Å; I56-M59 HydrophobicContact CG1-SD 4.41Å; I56-M59 PolarHBondContact O-N 3.17Å; I56-K64 WeakPolarHBondContact O-CE 3.24Å; I56-K64 PolarHBondContact O-NZ 2.91Å; I56-V69 HydrophobicContact CG2-CG1 4.28Å; I56-I74 HydrophobicContact CG2-CD1 3.8Å; I56-I74 HydrophobicContact CG2-CG1 4.5Å
57	N	69.7	Low	61.9	Low	65 Å²	65	91.4 Å²	91.4	35%	0.348	47%	0.473	S	S	.	.	H	α-helix	trans	-67.5	-37	177.5	-71.7	-36.3	0	0	0	111.6	I53 D54 D55 K64	I53-N57 PolarHBondContact O-N 3.25Å; I53-N57 PolarHBondContact O-ND2 3.46Å; D54-N57 WeakPolarHBondContact O-CA 3.47Å; D54-N57 WeakPolarHBondContact O-CB 3.45Å; D54-N57 PolarHBondContact O-N 3.23Å; D55-N57 VanDerWaalsContact C-N 3.31Å; D55-N57 PolarHBondContact O-N 3.01Å; N57-K64 PolarHBondContact O-NZ 2.92Å
58	D	75.2	Confident	61.4	Low	144 Å²	144	94.3 Å²	94.3	77%	0.77	48%	0.483	S	S	*	.	H	α-helix	trans	-77.3	-14.5	179.6	-78.2	-9.7	0	0	0	114.3	D54 D55 I56	D54-D58 PolarHBondContact O-N 3.23Å; D55-D58 PolarHBondContact O-N 3.49Å; I56-D58 VanDerWaalsContact C-N 3.34Å
59	M	69.8	Low	61	Low	37 Å²	37	91 Å²	91	18%	0.182	47%	0.467	C	S	.	.	S	Bend	trans	-60.9	139.7	173.2	-76.1	170.8	72	0	0	112.6	D55 I56 Q63 K64 M67	D55-M59 WeakPolarHBondContact O-CG 3.3Å; D55-M59 PolarHBondContact O-N 2.88Å; D55-M59 VanDerWaalsContact O-N 3.13Å; I56-M59 HydrophobicContact CG1-SD 4.41Å; I56-M59 PolarHBondContact O-N 3.17Å; M59-Q63 HydrophobicContact CB-CB 4.2Å; M59-Q63 HydrophobicContact CE-CB 3.47Å; M59-Q63 VanDerWaalsContact CE-CB 3.47Å; M59-Q63 WeakPolarHBondContact CE-O 3.38Å; M59-Q63 HydrophobicContact CG-CB 4.47Å; M59-K64 HydrophobicContact CB-CG 4.13Å; M59-K64 WeakPolarHBondContact O-CE 3.29Å; M59-K64 PolarHBondContact O-NZ 2.92Å; M59-M67 HydrophobicContact CE-CE 3.97Å; M59-M67 HydrophobicContact CE-SD 3.62Å; M59-M67 HydrophobicContact SD-CE 4.16Å; M59-M67 HydrophobicContact SD-SD 4.35Å
60	S	68.9	Low	60.9	Low	53 Å²	53	93.6 Å²	93.6	37%	0.371	48%	0.477	S	S	.	.			trans	-63	157.8	174.3	79.1	0	0	0	0	111.3	E62 Q63 K64	S60-E62 PolarHBondContact O-N 3.34Å; S60-Q63 VanDerWaalsContact N-OE1 3.08Å; S60-Q63 PolarHBondContact O-N 3.22Å; S60-Q63 VanDerWaalsContact O-N 3.13Å; S60-Q63 WeakPolarHBondContact OG-CG 3.49Å; S60-Q63 PolarHBondContact OG-N 3.46Å; S60-K64 PolarHBondContact O-N 2.87Å; S60-K64 VanDerWaalsContact O-N 3.08Å
61	T	68.9	Low	60.6	Low	119 Å²	119	95.4 Å²	95.4	73%	0.73	49%	0.493	S	S	*	.	H	α-helix	trans	-57.5	-35.8	177.8	21.8	0	0	0	0	112.6	T65	T61-T65 PolarHBondContact O-N 3.14Å; T61-T65 PolarHBondContact O-OG1 2.92Å
62	E	66.7	Low	60.2	Low	154 Å²	154	96.8 Å²	96.8	72%	0.72	50%	0.499	S	S	*	.	H	α-helix	trans	-63.1	-46.2	174.5	-76.2	177.8	157.9	0	0	111.7	S60 K64 T65 E66	S60-E62 PolarHBondContact O-N 3.34Å; E62-K64 PolarHBondContact O-N 3.33Å; E62-T65 WeakPolarHBondContact O-CB 3.19Å; E62-T65 PolarHBondContact O-N 2.99Å; E62-E66 PolarHBondContact O-N 3.37Å
63	Q	55.8	Low	59.4	Low	93 Å²	93	95.2 Å²	95.2	44%	0.435	50%	0.495	S	S	.	.	H	α-helix	trans	-65.7	-37.5	-179.3	-66.7	176	-45.9	0	0	112.8	M59 S60 T65 E66 M67	M59-Q63 HydrophobicContact CB-CB 4.2Å; M59-Q63 HydrophobicContact CE-CB 3.47Å; M59-Q63 VanDerWaalsContact CE-CB 3.47Å; M59-Q63 WeakPolarHBondContact CE-O 3.38Å; M59-Q63 HydrophobicContact CG-CB 4.47Å; S60-Q63 VanDerWaalsContact N-OE1 3.08Å; S60-Q63 PolarHBondContact O-N 3.22Å; S60-Q63 VanDerWaalsContact O-N 3.13Å; S60-Q63 WeakPolarHBondContact OG-CG 3.49Å; S60-Q63 PolarHBondContact OG-N 3.46Å; Q63-T65 PolarHBondContact O-N 3.47Å; Q63-E66 PolarHBondContact O-N 2.85Å; Q63-M67 PolarHBondContact O-N 3.26Å
64	K	53	Low	59.1	Low	66 Å²	66	96 Å²	96	29%	0.287	50%	0.499	S	S	.	.	H	α-helix	trans	-62.8	-32.1	173.6	-74.9	173.3	178.8	154.7	0	112.2	I56 N57 M59 S60 E62 V69	I56-K64 WeakPolarHBondContact O-CE 3.24Å; I56-K64 PolarHBondContact O-NZ 2.91Å; N57-K64 PolarHBondContact O-NZ 2.92Å; M59-K64 HydrophobicContact CB-CG 4.13Å; M59-K64 WeakPolarHBondContact O-CE 3.29Å; M59-K64 PolarHBondContact O-NZ 2.92Å; S60-K64 PolarHBondContact O-N 2.87Å; S60-K64 VanDerWaalsContact O-N 3.08Å; E62-K64 PolarHBondContact O-N 3.33Å; K64-V69 PolarHBondContact O-N 3.44Å
65	T	60	Low	58.5	Low	105 Å²	105	98.3 Å²	98.3	64%	0.644	51%	0.505	S	S	*	.	H	α-helix	trans	-75.6	-41.9	-179.9	-44.7	0	0	0	0	111	T61 E62 Q63 M67 H68	T61-T65 PolarHBondContact O-N 3.14Å; T61-T65 PolarHBondContact O-OG1 2.92Å; E62-T65 WeakPolarHBondContact O-CB 3.19Å; E62-T65 PolarHBondContact O-N 2.99Å; Q63-T65 PolarHBondContact O-N 3.47Å; T65-M67 VanDerWaalsContact C-N 3.32Å; T65-M67 PolarHBondContact O-N 2.86Å; T65-H68 PolarHBondContact O-N 3.43Å
66	E	51.5	Low	57.4	Low	169 Å²	169	97.7 Å²	97.7	79%	0.79	50%	0.504	S	S	*	.	H	α-helix	trans	-63.9	-33.7	175.7	-74.3	-173.7	156.2	0	0	113.3	E62 Q63	E62-E66 PolarHBondContact O-N 3.37Å; Q63-E66 PolarHBondContact O-N 2.85Å
67	M	45.7	Very low	56.3	Low	111 Å²	111	100.7 Å²	100.7	55%	0.547	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	1.3	-179.8	-96.7	178.7	37.1	0	0	115.2	M59 Q63 T65 V69	M59-M67 HydrophobicContact CE-CE 3.97Å; M59-M67 HydrophobicContact CE-SD 3.62Å; M59-M67 HydrophobicContact SD-CE 4.16Å; M59-M67 HydrophobicContact SD-SD 4.35Å; Q63-M67 PolarHBondContact O-N 3.26Å; T65-M67 VanDerWaalsContact C-N 3.32Å; T65-M67 PolarHBondContact O-N 2.86Å; M67-V69 HydrophobicContact CB-CG2 3.7Å; M67-V69 HydrophobicContact CE-CG2 3.64Å; M67-V69 PolarHBondContact O-N 2.85Å; M67-V69 VanDerWaalsContact O-N 3.17Å
68	H	40.9	Very low	55.4	Low	167 Å²	167	103.7 Å²	103.7	77%	0.773	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	35.3	-176.7	-90.1	-68.2	0	0	0	113.7	T65 Q70	T65-H68 PolarHBondContact O-N 3.43Å; H68-Q70 PolarHBondContact O-N 3.46Å
69	V	46.1	Very low	54.5	Low	39 Å²	39	101.4 Å²	101.4	24%	0.236	51%	0.507	C	S	.	.			trans	-73.3	101.4	-179.4	-172.5	0	0	0	0	109.6	I56 K64 M67 I74	I56-V69 HydrophobicContact CG2-CG1 4.28Å; K64-V69 PolarHBondContact O-N 3.44Å; M67-V69 HydrophobicContact CB-CG2 3.7Å; M67-V69 HydrophobicContact CE-CG2 3.64Å; M67-V69 PolarHBondContact O-N 2.85Å; M67-V69 VanDerWaalsContact O-N 3.17Å; V69-I74 HydrophobicContact CG1-CD1 3.83Å; V69-I74 HydrophobicContact CG1-CG1 3.99Å
70	Q	50.3	Low	53.1	Low	111 Å²	111	105.6 Å²	105.6	52%	0.519	53%	0.527	S	S	.	.			trans	-72.3	132	174	-66.9	-162.5	-3	0	0	110.9	H68 E72 N73	H68-Q70 PolarHBondContact O-N 3.46Å; Q70-E72 PolarHBondContact O-N 2.84Å; Q70-E72 VanDerWaalsContact O-N 3.12Å; Q70-N73 WeakPolarHBondContact O-CB 3.43Å; Q70-N73 PolarHBondContact O-N 2.85Å
71	P	53.3	Low	52	Low	106 Å²	106	104.1 Å²	104.1	69%	0.688	52%	0.517	S	S	*	.	H	α-helix	trans	-56.5	-30.1	179.8	-23.5	31	0	0	0	113.8	N73 I74 K75	P71-N73 VanDerWaalsContact C-N 3.3Å; P71-N73 PolarHBondContact O-N 3.48Å; P71-I74 PolarHBondContact O-N 3.47Å; P71-K75 PolarHBondContact O-N 3.28Å
72	E	56.9	Low	51.1	Low	141 Å²	141	104.2 Å²	104.2	66%	0.659	51%	0.513	S	S	*	.	H	α-helix	trans	-64.1	-34.5	178.1	-65.7	-176	169.1	0	0	112.2	Q70 K75 V76	Q70-E72 PolarHBondContact O-N 2.84Å; Q70-E72 VanDerWaalsContact O-N 3.12Å; E72-K75 PolarHBondContact O-N 3.05Å; E72-V76 WeakPolarHBondContact O-CG2 3.15Å; E72-V76 PolarHBondContact O-N 3.36Å
73	N	44.4	Very low	49.7	Very low	86 Å²	86	103.2 Å²	103.2	46%	0.46	51%	0.507	S	S	.	.	H	α-helix	trans	-67.1	-42.4	178.2	-68.4	-21.7	0	0	0	111.1	Q70 P71 K75 V76 F77	Q70-N73 WeakPolarHBondContact O-CB 3.43Å; Q70-N73 PolarHBondContact O-N 2.85Å; P71-N73 VanDerWaalsContact C-N 3.3Å; P71-N73 PolarHBondContact O-N 3.48Å; N73-K75 VanDerWaalsContact C-N 3.27Å; N73-K75 PolarHBondContact O-N 2.84Å; N73-V76 PolarHBondContact O-N 3.37Å; N73-F77 WeakPolarHBondContact O-CD2 3.37Å; N73-F77 PolarHBondContact O-N 3.46Å
74	I	56.4	Low	48.5	Very low	34 Å²	34	108.5 Å²	108.5	17%	0.174	53%	0.528	C	S	.	.	H	α-helix	trans	-60.6	-40.4	176.5	-59.8	176.1	0	0	0	110.5	I56 V69 P71 F77 R78	I56-I74 HydrophobicContact CG2-CD1 3.8Å; I56-I74 HydrophobicContact CG2-CG1 4.5Å; V69-I74 HydrophobicContact CG1-CD1 3.83Å; V69-I74 HydrophobicContact CG1-CG1 3.99Å; P71-I74 PolarHBondContact O-N 3.47Å; I74-F77 PolarHBondContact O-N 3.08Å; I74-R78 PolarHBondContact O-N 3.15Å
75	K	57.7	Low	47.3	Very low	142 Å²	142	112.4 Å²	112.4	62%	0.617	55%	0.551	S	S	*	*	H	α-helix	trans	-64.9	-42	177.5	-162.1	178.3	-179	-177.3	0	112	P71 E72 N73 R78 E79	P71-K75 PolarHBondContact O-N 3.28Å; E72-K75 PolarHBondContact O-N 3.05Å; N73-K75 VanDerWaalsContact C-N 3.27Å; N73-K75 PolarHBondContact O-N 2.84Å; K75-R78 PolarHBondContact O-N 3Å; K75-E79 WeakPolarHBondContact O-CG 3.46Å; K75-E79 PolarHBondContact O-N 3.23Å
76	V	47	Very low	45.8	Very low	74 Å²	74	112.6 Å²	112.6	45%	0.448	56%	0.555	S	S	.	*	H	α-helix	trans	-64.7	-40.1	176	169.7	0	0	0	0	111.7	E72 N73 E79 M80	E72-V76 WeakPolarHBondContact O-CG2 3.15Å; E72-V76 PolarHBondContact O-N 3.36Å; N73-V76 PolarHBondContact O-N 3.37Å; V76-E79 PolarHBondContact O-N 3.03Å; V76-M80 HydrophobicContact CG1-CE 3.46Å; V76-M80 VanDerWaalsContact CG1-CE 3.46Å; V76-M80 PolarHBondContact O-N 2.86Å
77	F	44.7	Very low	44.7	Very low	99 Å²	99	109.7 Å²	109.7	43%	0.434	56%	0.559	S	S	.	*	H	α-helix	trans	-64.7	-41.3	174.9	-85	-71.3	0	0	0	112.4	L49 I53 N73 I74 M80 S81	L49-F77 HydrophobicContact CD1-CD1 4.07Å; L49-F77 HydrophobicContact CD1-CE1 4.26Å; L49-F77 HydrophobicContact CD2-CD1 4.44Å; I53-F77 HydrophobicContact CD1-CB 4.41Å; N73-F77 WeakPolarHBondContact O-CD2 3.37Å; N73-F77 PolarHBondContact O-N 3.46Å; I74-F77 PolarHBondContact O-N 3.08Å; F77-M80 PolarHBondContact O-N 3.44Å; F77-S81 PolarHBondContact O-N 2.99Å
78	R	51.3	Low	43.9	Very low	127 Å²	127	110.9 Å²	110.9	48%	0.479	57%	0.568	S	S	.	*	H	α-helix	trans	-65.8	-41.2	176.4	-155.9	-178.7	-71.8	176.8	-4.2	111.9	I74 K75 M80 S81 D82	I74-R78 PolarHBondContact O-N 3.15Å; K75-R78 PolarHBondContact O-N 3Å; R78-M80 VanDerWaalsContact C-N 3.28Å; R78-M80 PolarHBondContact O-N 3.32Å; R78-S81 WeakPolarHBondContact O-CB 3.47Å; R78-S81 PolarHBondContact O-N 3.11Å; R78-S81 VanDerWaalsContact O-N 3.16Å; R78-D82 PolarHBondContact O-N 3.15Å; R78-D82 VanDerWaalsContact O-N 3.09Å
79	E	54.8	Low	43.6	Very low	97 Å²	97	112 Å²	112	45%	0.453	57%	0.57	S	S	.	*	H	α-helix	trans	-65.2	-29.2	173.9	-77	-172.5	-162.2	0	0	113.6	K75 V76 K83	K75-E79 WeakPolarHBondContact O-CG 3.46Å; K75-E79 PolarHBondContact O-N 3.23Å; V76-E79 PolarHBondContact O-N 3.03Å; E79-K83 IonicContact OE2-NZ 3.74Å
80	M	41	Very low	43	Very low	124 Å²	124	116 Å²	116	61%	0.611	59%	0.591	S	S	*	*	H	α-helix	trans	-72.7	-35.2	172.2	-81.7	-166.4	-105.5	0	0	112.4	V76 F77 R78	V76-M80 HydrophobicContact CG1-CE 3.46Å; V76-M80 VanDerWaalsContact CG1-CE 3.46Å; V76-M80 PolarHBondContact O-N 2.86Å; F77-M80 PolarHBondContact O-N 3.44Å; R78-M80 VanDerWaalsContact C-N 3.28Å; R78-M80 PolarHBondContact O-N 3.32Å
81	S	45.4	Very low	42.2	Very low	22 Å²	22	119 Å²	119	15%	0.154	60%	0.602	C	S	.	*	H	α-helix	trans	-65.3	-41.2	175.1	173.6	0	0	0	0	112.3	H46 F77 R78	H46-S81 PolarHBondContact CE1-OG 3.38Å; F77-S81 PolarHBondContact O-N 2.99Å; R78-S81 WeakPolarHBondContact O-CB 3.47Å; R78-S81 PolarHBondContact O-N 3.11Å; R78-S81 VanDerWaalsContact O-N 3.16Å
82	D	50	Low	41.1	Very low	121 Å²	121	117 Å²	117	65%	0.647	59%	0.59	S	S	*	*	H	α-helix	trans	-85.8	-13.3	-168.7	-67.8	-20.3	0	0	0	114.6	R78 K84	R78-D82 PolarHBondContact O-N 3.15Å; R78-D82 VanDerWaalsContact O-N 3.09Å; D82-K84 PolarHBondContact O-N 2.89Å
83	K	37.4	Very low	39.9	Very low	134 Å²	134	115.6 Å²	115.6	58%	0.583	59%	0.587	S	S	*	*			trans	-92.9	92.1	-175.1	-78.4	178.7	-179.3	161.3	0	113.3	E79 L85	E79-K83 IonicContact OE2-NZ 3.74Å; K83-L85 HydrophobicContact CB-CD1 4.38Å; K83-L85 PolarHBondContact O-N 2.87Å
84	K	31.2	Very low	39.3	Very low	203 Å²	203	117.2 Å²	117.2	88%	0.883	60%	0.596	S	S	*	*			trans	-59.2	95.8	148.3	-94.1	179.9	176.2	171.9	0	108.6	D82 P86	D82-K84 PolarHBondContact O-N 2.89Å; K84-P86 VanDerWaalsContact O-CD 3.22Å; K84-P86 WeakPolarHBondContact O-CD 3.41Å
85	L	28.3	Very low	38	Very low	148 Å²	148	121.9 Å²	121.9	78%	0.775	62%	0.618	S	S	*	*			trans	-69.5	118.1	177.3	-125.1	93.5	0	0	0	110.2	K83	K83-L85 HydrophobicContact CB-CD1 4.38Å; K83-L85 PolarHBondContact O-N 2.87Å
86	P	28.1	Very low	36.7	Very low	110 Å²	110	121.2 Å²	121.2	71%	0.714	62%	0.616	S	S	*	*			trans	-70.9	142.9	168.8	-6.1	24	0	0	0	109.2	K84 D88	K84-P86 VanDerWaalsContact O-CD 3.22Å; K84-P86 WeakPolarHBondContact O-CD 3.41Å; P86-D88 PolarHBondContact O-N 3.24Å
87	A	27.4	Very low	35.9	Very low	107 Å²	107	125.3 Å²	125.3	88%	0.884	63%	0.628	S	S	*	*			trans	-67.8	93.5	175.1	0	0	0	0	0	110.6
88	D	30	Very low	35.2	Very low	136 Å²	136	125.6 Å²	125.6	73%	0.727	63%	0.633	S	S	*	*			trans	-86.6	133.5	179.3	-146.2	-9.2	0	0	0	112.5	P86 D90	P86-D88 PolarHBondContact O-N 3.24Å; D88-D90 PolarHBondContact O-N 3.23Å
89	K	33	Very low	34.2	Very low	191 Å²	191	123.8 Å²	123.8	83%	0.83	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	-2.1	-165	-83.4	174.6	174.2	172.9	0	114.8
90	D	34.7	Very low	33	Very low	124 Å²	124	124.3 Å²	124.3	66%	0.663	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.9	-6	-169.2	-83	-18.9	0	0	0	116.5	D88 S92	D88-D90 PolarHBondContact O-N 3.23Å; D90-S92 VanDerWaalsContact C-N 3.26Å; D90-S92 PolarHBondContact O-N 2.99Å
91	K	33.2	Very low	32.4	Very low	173 Å²	173	127.3 Å²	127.3	75%	0.752	65%	0.648	S	S	*	*	H	α-helix	trans	-73.4	-13.1	173	-84.4	-179.6	178.3	172	0	114.3	M95	K91-M95 WeakPolarHBondContact O-CB 3.45Å; K91-M95 WeakPolarHBondContact O-CG 3.45Å; K91-M95 PolarHBondContact O-N 3.43Å; K91-M95 VanDerWaalsContact O-N 3.12Å
92	S	30.9	Very low	31.6	Very low	63 Å²	63	130.9 Å²	130.9	44%	0.441	67%	0.665	S	S	.	*	H	α-helix	trans	-70.9	-36.5	-178.6	-171.8	0	0	0	0	113.3	D90 K96	D90-S92 VanDerWaalsContact C-N 3.26Å; D90-S92 PolarHBondContact O-N 2.99Å; S92-K96 WeakPolarHBondContact O-CB 3.33Å; S92-K96 VanDerWaalsContact O-CG 3.31Å; S92-K96 WeakPolarHBondContact O-CG 3.46Å; S92-K96 PolarHBondContact O-N 3.24Å
93	N	30.9	Very low	30.6	Very low	112 Å²	112	133.4 Å²	133.4	60%	0.599	67%	0.666	S	S	*	*	H	α-helix	trans	-79.8	-34.5	-177.8	-86.3	-15.4	0	0	0	113.5	K96 K97	N93-K96 PolarHBondContact O-N 3.4Å; N93-K97 PolarHBondContact O-N 3.39Å
94	N	30.9	Very low	30.2	Very low	120 Å²	120	136.2 Å²	136.2	64%	0.642	68%	0.678	S	S	*	*	H	α-helix	trans	-77.1	-31.2	174.2	-79.3	-27.9	0	0	0	112.3	K97 L98	N94-K97 PolarHBondContact O-N 3.03Å; N94-L98 WeakPolarHBondContact O-CB 3.24Å; N94-L98 PolarHBondContact O-N 3.36Å
95	M	29	Very low	30.1	Very low	132 Å²	132	136.9 Å²	136.9	65%	0.65	68%	0.675	S	S	*	*	H	α-helix	trans	-68.4	-36.3	167.8	-81.2	-135.2	-55.9	0	0	112.6	K91 L98 N99	K91-M95 WeakPolarHBondContact O-CB 3.45Å; K91-M95 WeakPolarHBondContact O-CG 3.45Å; K91-M95 PolarHBondContact O-N 3.43Å; K91-M95 VanDerWaalsContact O-N 3.12Å; M95-L98 PolarHBondContact O-N 3.24Å; M95-N99 VanDerWaalsContact O-CB 3.29Å; M95-N99 WeakPolarHBondContact O-CB 3.23Å; M95-N99 PolarHBondContact O-N 2.76Å
96	K	31.1	Very low	30.1	Very low	128 Å²	128	139.5 Å²	139.5	56%	0.557	68%	0.676	S	S	*	*	H	α-helix	trans	-65.5	-37.8	173.1	-80.9	176.4	178.4	178.8	0	112.7	S92 N93 N100	S92-K96 WeakPolarHBondContact O-CB 3.33Å; S92-K96 VanDerWaalsContact O-CG 3.31Å; S92-K96 WeakPolarHBondContact O-CG 3.46Å; S92-K96 PolarHBondContact O-N 3.24Å; N93-K96 PolarHBondContact O-N 3.4Å; K96-N100 PolarHBondContact O-N 3.36Å; K96-N100 VanDerWaalsContact O-N 3.08Å
97	K	30.9	Very low	30.1	Very low	161 Å²	161	143.8 Å²	143.8	70%	0.7	68%	0.679	S	S	*	*	H	α-helix	trans	-67.7	-34.4	172.2	-100.2	-180	175.8	176.2	0	113.1	N93 N94	N93-K97 PolarHBondContact O-N 3.39Å; N94-K97 PolarHBondContact O-N 3.03Å
98	L	29.4	Very low	30.1	Very low	104 Å²	104	142.1 Å²	142.1	55%	0.545	66%	0.661	S	S	.	*	H	α-helix	trans	-77.5	-36.2	176.5	-147.7	78.7	0	0	0	112	N94 M95 K101 L102	N94-L98 WeakPolarHBondContact O-CB 3.24Å; N94-L98 PolarHBondContact O-N 3.36Å; M95-L98 PolarHBondContact O-N 3.24Å; L98-K101 PolarHBondContact O-N 2.69Å; L98-L102 HydrophobicContact CD2-CD1 4.26Å; L98-L102 HydrophobicContact CG-CD1 4.08Å; L98-L102 WeakPolarHBondContact O-CB 3.49Å; L98-L102 PolarHBondContact O-N 3.41Å
99	N	30.4	Very low	29.9	Very low	89 Å²	89	142.5 Å²	142.5	48%	0.476	67%	0.668	S	S	.	*	H	α-helix	trans	-66.3	-35.4	175	-112.1	-8.1	0	0	0	112	M95 K101 L102 R103	M95-N99 VanDerWaalsContact O-CB 3.29Å; M95-N99 WeakPolarHBondContact O-CB 3.23Å; M95-N99 PolarHBondContact O-N 2.76Å; N99-K101 VanDerWaalsContact C-N 3.27Å; N99-K101 PolarHBondContact O-N 3.15Å; N99-L102 PolarHBondContact O-N 3.46Å; N99-R103 VanDerWaalsContact O-CB 3.23Å; N99-R103 WeakPolarHBondContact O-CB 3.34Å; N99-R103 VanDerWaalsContact O-CG 3.32Å; N99-R103 WeakPolarHBondContact O-CG 3.42Å; N99-R103 PolarHBondContact O-N 3.37Å
100	N	29.7	Very low	29.6	Very low	108 Å²	108	136.8 Å²	136.8	58%	0.578	66%	0.664	S	S	*	*	H	α-helix	trans	-72.4	-19.8	175.2	-74.2	-4.6	0	0	0	113.3	K96	K96-N100 PolarHBondContact O-N 3.36Å; K96-N100 VanDerWaalsContact O-N 3.08Å
101	K	29.1	Very low	29.2	Very low	188 Å²	188	136.3 Å²	136.3	82%	0.817	66%	0.661	S	S	*	*	H	α-helix	trans	-90.4	-17.5	173.4	-114.1	178.4	177.7	-177.2	0	113.6	L98 N99	L98-K101 PolarHBondContact O-N 2.69Å; N99-K101 VanDerWaalsContact C-N 3.27Å; N99-K101 PolarHBondContact O-N 3.15Å
102	L	28.5	Very low	28.8	Very low	96 Å²	96	136.1 Å²	136.1	50%	0.503	67%	0.667	S	S	.	*	H	α-helix	trans	-102.2	-13.8	178.1	-79.9	155.5	0	0	0	113.5	L98 N99 F104 R105	L98-L102 HydrophobicContact CD2-CD1 4.26Å; L98-L102 HydrophobicContact CG-CD1 4.08Å; L98-L102 WeakPolarHBondContact O-CB 3.49Å; L98-L102 PolarHBondContact O-N 3.41Å; N99-L102 PolarHBondContact O-N 3.46Å; L102-F104 PolarHBondContact O-N 2.65Å; L102-F104 VanDerWaalsContact O-N 3.16Å; L102-R105 PolarHBondContact O-N 2.97Å
103	R	29	Very low	28.7	Very low	175 Å²	175	140.7 Å²	140.7	66%	0.66	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.9	-6	-178	-101.8	-177.7	-176.5	-159.3	-2.4	116.7	N99	N99-R103 VanDerWaalsContact O-CB 3.23Å; N99-R103 WeakPolarHBondContact O-CB 3.34Å; N99-R103 VanDerWaalsContact O-CG 3.32Å; N99-R103 WeakPolarHBondContact O-CG 3.42Å; N99-R103 PolarHBondContact O-N 3.37Å
104	F	29.4	Very low	28.6	Very low	193 Å²	193	139.7 Å²	139.7	85%	0.846	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.6	0.1	179.9	-83.3	-80.5	0	0	0	114.8	L102	L102-F104 PolarHBondContact O-N 2.65Å; L102-F104 VanDerWaalsContact O-N 3.16Å
105	R	27.8	Very low	28.3	Very low	216 Å²	216	142 Å²	142	82%	0.815	70%	0.699	S	S	*	*	S	Bend	trans	-105.9	7.3	-175.9	-85.5	-172.3	175.6	-172.9	-2.5	116.2	L102	L102-R105 PolarHBondContact O-N 2.97Å
106	Y	28.1	Very low	28.3	Very low	203 Å²	203	144.1 Å²	144.1	80%	0.796	71%	0.707	S	S	*	*			trans	-130.5	48.4	-171.1	-88.2	-79.3	0	0	0	115.3
107	Y	29.3	Very low	28.2	Very low	200 Å²	200	145.8 Å²	145.8	78%	0.784	72%	0.721	S	S	*	*			trans	-112.6	31.5	173.1	-97	-77	0	0	0	114
108	S	26.3	Very low	27.8	Very low	72 Å²	72	146.2 Å²	146.2	50%	0.503	73%	0.731	S	S	.	*			trans	-120.4	20.2	-172.4	59.1	0	0	0	0	116.7
109	V	25.9	Very low	27.7	Very low	145 Å²	145	147.1 Å²	147.1	88%	0.879	74%	0.741	S	S	*	*			trans	-133.5	86	177.5	-171.3	0	0	0	0	110.6
110	G	26.6	Very low	27.6	Very low	71 Å²	71	147.5 Å²	147.5	73%	0.732	76%	0.756	S	S	*	*			trans	-175.2	62.7	-179.8	0	0	0	0	0	113.1
111	L	26.6	Very low	27.4	Very low	114 Å²	114	149.6 Å²	149.6	60%	0.597	77%	0.767	S	S	*	*			trans	-160.1	75.4	171.3	-117.2	145	0	0	0	110.2
112	L	25.4	Very low	27.3	Very low	168 Å²	168	145.2 Å²	145.2	88%	0.88	76%	0.76	S	S	*	*	S	Bend	trans	-133.9	10.9	172.4	-105.2	168.4	0	0	0	115.2
113	N	29.1	Very low	27.1	Very low	160 Å²	160	148 Å²	148	86%	0.856	78%	0.775	S	S	*	*	S	Bend	trans	-132.8	23.7	179.4	-90.6	1.2	0	0	0	115.7
114	S	27.8	Very low	27	Very low	90 Å²	90	145.6 Å²	145.6	63%	0.629	78%	0.784	S	S	*	*			trans	-100.8	27.8	-173.8	-38.6	0	0	0	0	115.2
115	L	25.8	Very low	26.8	Very low	168 Å²	168	144.2 Å²	144.2	88%	0.88	79%	0.786	S	S	*	*	S	Bend	trans	-119.2	18.7	-174.6	-116.2	146.7	0	0	0	115.2
116	H	28	Very low	27	Very low	177 Å²	177	141.3 Å²	141.3	82%	0.819	79%	0.785	S	S	*	*	S	Bend	trans	-141.6	106.3	165.5	-98.9	-92.4	0	0	0	108.8
117	L	28.4	Very low	27.1	Very low	163 Å²	163	139.2 Å²	139.2	85%	0.853	79%	0.787	S	S	*	*			trans	155.3	69.6	154.9	-84.1	154.8	0	0	0	109.8
118	L	23.5	Very low	27	Very low	171 Å²	171	135.5 Å²	135.5	90%	0.895	79%	0.785	S	S	*	*			trans	-104.1	93.2	147.7	-94.4	162.2	0	0	0	104.5
119	T	26.6	Very low	27.2	Very low	123 Å²	123	138.4 Å²	138.4	76%	0.755	80%	0.8	S	S	*	*			trans	177.1	137.8	156.7	41.3	0	0	0	0	110.6
120	A	28.5	Very low	27.2	Very low	96 Å²	96	139.2 Å²	139.2	79%	0.793	80%	0.8	S	S	*	*			trans	88	80.7	158.5	0	0	0	0	0	118.9
121	D	26	Very low	27.5	Very low	153 Å²	153	146 Å²	146	82%	0.818	81%	0.809	S	S	*	*				40.5	122.6	115.8	-76.7	-22.8	0	0	0	122.7
122	S	26.2	Very low	27.4	Very low	96 Å²	96	147.1 Å²	147.1	67%	0.671	82%	0.821	S	S	*	*				82.6	136.1	123.7	75.7	0	0	0	0	120.8
123	N	25.2	Very low	27.4	Very low	153 Å²	153	146 Å²	146	82%	0.818	83%	0.825	S	S	*	*			trans	83.7	91.4	161.6	-58.7	-18.3	0	0	0	118.2
124	C	27	Very low	27.3	Very low	126 Å²	126	142.4 Å²	142.4	85%	0.851	82%	0.818	S	S	*	*			trans	-151.4	117.6	136.4	-123.9	0	0	0	0	112.1
125	N	26	Very low	27.2	Very low	163 Å²	163	144.3 Å²	144.3	87%	0.872	83%	0.828	S	S	*	*			trans	-63.5	133.9	168.5	-75.6	-25.1	0	0	0	110.2
126	I	31.3	Very low	27.3	Very low	156 Å²	156	144.4 Å²	144.4	80%	0.8	83%	0.828	S	S	*	*			trans	-114.6	107	167.4	-64.5	174	0	0	0	107.6
127	D	30.4	Very low	27.3	Very low	158 Å²	158	145.4 Å²	145.4	85%	0.845	83%	0.83	S	S	*	*			trans	-72.9	118	164.6	-90.1	-35.1	0	0	0	109.6
128	T	27.6	Very low	27	Very low	122 Å²	122	149.5 Å²	149.5	75%	0.748	83%	0.834	S	S	*	*			trans	-77.9	115.8	171.5	47.3	0	0	0	0	110.7
129	T	30.6	Very low	27.1	Very low	133 Å²	133	149.6 Å²	149.6	82%	0.816	84%	0.835	S	S	*	*			trans	-137.3	107.1	157.5	48.5	0	0	0	0	112.9
130	N	26	Very low	27	Very low	163 Å²	163	153.7 Å²	153.7	87%	0.872	84%	0.842	S	S	*	*			trans	0.2	112.5	152	-70.2	-30.2	0	0	0	118.1
131	K	31.3	Very low	27	Very low	212 Å²	212	157.8 Å²	157.8	92%	0.922	85%	0.845	S	S	*	*			trans	-142.8	129.9	138.5	-75	-165.8	-178.9	165.1	0	112.7
132	T	24	Very low	27	Very low	139 Å²	139	155.8 Å²	155.8	85%	0.853	84%	0.84	S	S	*	*			trans	-65.8	142.6	177	41.6	0	0	0	0	112.5
133	C	27.1	Very low	26.9	Very low	143 Å²	143	160.2 Å²	160.2	97%	0.966	85%	0.85	S	S	*	*			trans	-147.4	144.6	160.9	-104.3	0	0	0	0	113.4
134	A	26.6	Very low	26.9	Very low	86 Å²	86	158.7 Å²	158.7	71%	0.711	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-78.8	169	-153.6	0	0	0	0	0	116.3
135	P	25.7	Very low	26.7	Very low	129 Å²	129	164 Å²	164	84%	0.838	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-83.6	122.5	-172.8	32.7	-30.3	0	0	0	111.8
136	I	27.9	Very low	26.6	Very low	170 Å²	170	166.4 Å²	166.4	87%	0.872	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-87.8	128.3	171.7	-66	177.4	0	0	0	110.5
137	K	26.9	Very low	26.4	Very low	199 Å²	199	168.2 Å²	168.2	87%	0.865	84%	0.843	S	S	*	*			trans	-44.9	133.3	-178.5	-77.6	166.4	168.6	169.8	0	115
138	R	23.1	Very low	26.1	Very low	249 Å²	249	165.9 Å²	165.9	94%	0.94	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-65.9	125.4	170.6	-67.7	-179	-174.1	-172.3	1.7	112.1
139	L	26.3	Very low	26.1	Very low	173 Å²	173	165.1 Å²	165.1	91%	0.906	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-102.4	117.6	157.5	-95.5	156.6	0	0	0	108.7	Q141	L139-Q141 PolarHBondContact O-N 3.47Å
140	K	24.3	Very low	26	Very low	209 Å²	209	165.4 Å²	165.4	91%	0.909	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-62.3	121.8	177.7	-74.6	174.7	172.9	178	0	110.7
141	Q	28	Very low	26.2	Very low	181 Å²	181	164.8 Å²	164.8	85%	0.846	82%	0.817	S	S	*	*			trans	-131	147.4	157.2	-78.2	-167.6	-5.1	0	0	109.5	L139	L139-Q141 PolarHBondContact O-N 3.47Å
142	P	25.3	Very low	26.2	Very low	111 Å²	111	157.4 Å²	157.4	72%	0.721	79%	0.791	S	S	*	*			trans	-81.5	134.8	-161.5	32.6	-32.7	0	0	0	112.5
143	H	25	Very low	26.8	Very low	190 Å²	190	160.4 Å²	160.4	88%	0.88	80%	0.795	S	S	*	*			trans	47	66.8	158.1	-55.7	-64.7	0	0	0	118.6
144	T	24.6	Very low	26.9	Very low	120 Å²	120	159.9 Å²	159.9	74%	0.736	78%	0.779	S	S	*	*			trans	-108.3	106.6	148.2	49	0	0	0	0	107.7	R146	T144-R146 VanDerWaalsContact C-N 3.28Å; T144-R146 PolarHBondContact O-N 2.93Å
145	R	23.7	Very low	27.4	Very low	237 Å²	237	164.7 Å²	164.7	89%	0.894	78%	0.784	S	S	*	*			trans	-67.3	91.1	168.6	-89.1	-174.7	175.4	177.7	-1.2	107.3	Y147	R145-Y147 PolarHBondContact O-N 3.06Å
146	R	23.3	Very low	27.9	Very low	215 Å²	215	163.8 Å²	163.8	81%	0.811	77%	0.772	S	S	*	*			trans	-63.8	126.9	157.9	-81.3	-176.2	-172	173	1.5	106.7	T144 T148	T144-R146 VanDerWaalsContact C-N 3.28Å; T144-R146 PolarHBondContact O-N 2.93Å; R146-T148 PolarHBondContact O-N 3.4Å
147	Y	26.8	Very low	28.4	Very low	194 Å²	194	161.1 Å²	161.1	76%	0.761	76%	0.756	S	S	*	*			trans	-63.1	89.8	160	-71.3	-87.1	0	0	0	107.9	R145 I149	R145-Y147 PolarHBondContact O-N 3.06Å; Y147-I149 PolarHBondContact O-N 3.19Å
148	T	24.1	Very low	29	Very low	108 Å²	108	155.8 Å²	155.8	66%	0.663	74%	0.736	S	S	*	*			trans	-72.8	105.8	153.9	39.8	0	0	0	0	105.8	R146 N150	R146-T148 PolarHBondContact O-N 3.4Å; T148-N150 PolarHBondContact O-N 3.47Å
149	I	27.8	Very low	29.5	Very low	106 Å²	106	152 Å²	152	54%	0.544	73%	0.726	S	S	.	*			trans	-64.5	105.8	165.6	-60.9	172.5	0	0	0	105.1	Y147 L151	Y147-I149 PolarHBondContact O-N 3.19Å; I149-L151 PolarHBondContact O-N 3.34Å
150	N	27.5	Very low	30.1	Very low	140 Å²	140	148.6 Å²	148.6	75%	0.749	72%	0.717	S	S	*	*			trans	-66.7	112.5	170.1	-72.9	-22.6	0	0	0	106.6	T148	T148-N150 PolarHBondContact O-N 3.47Å
151	L	31.5	Very low	30.9	Very low	149 Å²	149	141.1 Å²	141.1	78%	0.78	69%	0.687	S	S	*	*			trans	-57.8	140.6	163.5	-79.9	121.7	0	0	0	108.4	I149 E153	I149-L151 PolarHBondContact O-N 3.34Å; L151-E153 PolarHBondContact O-N 2.82Å
152	P	30.1	Very low	31.5	Very low	57 Å²	57	135.4 Å²	135.4	37%	0.37	67%	0.667	S	S	.	*			trans	-65.5	121.2	173.4	23.3	-23.4	0	0	0	108.8	Q154 E157 L158	P152-Q154 PolarHBondContact O-N 3.35Å; P152-E157 HydrophobicContact CB-CB 4.26Å; P152-E157 WeakPolarHBondContact CB-OE2 3.4Å; P152-L158 HydrophobicContact CG-CD1 4.38Å
153	E	37.2	Very low	31.8	Very low	202 Å²	202	138.8 Å²	138.8	94%	0.944	67%	0.671	S	S	*	*	S	Bend	trans	-69.3	-10.5	-178.7	-77.7	-177.3	156.5	0	0	113.1	L151	L151-E153 PolarHBondContact O-N 2.82Å
154	Q	29.6	Very low	32.4	Very low	133 Å²	133	136 Å²	136	62%	0.621	66%	0.662	S	S	*	*	S	Bend	trans	-114.8	123.7	-179	-79.3	-175.9	-28.8	0	0	112.6	P152 D156 E157	P152-Q154 PolarHBondContact O-N 3.35Å; Q154-D156 PolarHBondContact O-N 2.94Å; Q154-E157 PolarHBondContact O-N 2.88Å
155	K	35.9	Very low	33	Very low	187 Å²	187	133 Å²	133	81%	0.813	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.6	-16.7	173.4	-94.3	-178.9	172.6	179.4	0	114.7
156	D	37.9	Very low	33.6	Very low	110 Å²	110	123.6 Å²	123.6	59%	0.588	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	-17	-176.4	-69.6	-43.9	0	0	0	114.4	Q154 K159	Q154-D156 PolarHBondContact O-N 2.94Å; D156-K159 IonicContact OD1-NZ 2.89Å; D156-K159 PolarHBondContact OD1-NZ 3.48Å
157	E	37.1	Very low	34.1	Very low	113 Å²	113	115.9 Å²	115.9	53%	0.528	59%	0.591	S	S	.	*	G	3₁₀ helix	trans	-76.1	-26.9	174.4	-74.4	-171.8	155.2	0	0	112.8	P152 Q154 K159 S160	P152-E157 HydrophobicContact CB-CB 4.26Å; P152-E157 WeakPolarHBondContact CB-OE2 3.4Å; Q154-E157 PolarHBondContact O-N 2.88Å; E157-K159 PolarHBondContact O-N 2.94Å; E157-S160 PolarHBondContact O-N 2.75Å; E157-S160 PolarHBondContact O-OG 3.48Å
158	L	39.1	Very low	34.4	Very low	88 Å²	88	109.5 Å²	109.5	46%	0.461	58%	0.575	S	S	.	*	G	3₁₀ helix	trans	-65.9	-19.6	177.8	-90.2	127.3	0	0	0	114.2	P152 S160	P152-L158 HydrophobicContact CG-CD1 4.38Å; L158-S160 VanDerWaalsContact C-N 3.27Å; L158-S160 PolarHBondContact O-N 3.18Å
159	K	35.2	Very low	34.8	Very low	168 Å²	168	110 Å²	110	73%	0.73	57%	0.565	S	S	*	*	G	3₁₀ helix	trans	-78.3	-9.5	179.4	-69	173.8	-174.9	155	0	113.8	D156 E157	D156-K159 IonicContact OD1-NZ 2.89Å; D156-K159 PolarHBondContact OD1-NZ 3.48Å; E157-K159 PolarHBondContact O-N 2.94Å
160	S	38.5	Very low	34.9	Very low	102 Å²	102	111.4 Å²	111.4	71%	0.713	57%	0.571	S	S	*	*	G	3₁₀ helix	trans	-98.5	-9.2	-177.3	69.8	0	0	0	0	114.3	E157 L158	E157-S160 PolarHBondContact O-N 2.75Å; E157-S160 PolarHBondContact O-OG 3.48Å; L158-S160 VanDerWaalsContact C-N 3.27Å; L158-S160 PolarHBondContact O-N 3.18Å
161	L	40.3	Very low	35.1	Very low	53 Å²	53	111.8 Å²	111.8	28%	0.277	57%	0.573	S	S	.	*	S	Bend	trans	-90.4	138.1	-175.1	-75.1	154.6	0	0	0	110.9	E165 V166	L161-E165 HydrophobicContact CB-CB 4.2Å; L161-E165 HydrophobicContact CD2-CB 3.86Å; L161-E165 HydrophobicContact CD2-CG 4.29Å; L161-V166 HydrophobicContact CB-CG2 4.1Å
162	S	40.2	Very low	35	Very low	60 Å²	60	109.9 Å²	109.9	42%	0.42	56%	0.563	S	S	.	*			trans	-64.7	152.2	176.1	64.9	0	0	0	0	111.1	N164 E165 V166	S162-N164 PolarHBondContact O-N 2.96Å; S162-E165 WeakPolarHBondContact CB-OE2 3.36Å; S162-E165 PolarHBondContact N-OE2 3.35Å; S162-E165 WeakPolarHBondContact O-CA 3.49Å; S162-E165 WeakPolarHBondContact O-CB 3.37Å; S162-E165 PolarHBondContact O-N 2.97Å; S162-E165 WeakPolarHBondContact OG-CG 3.41Å; S162-E165 PolarHBondContact OG-OE2 2.97Å; S162-V166 PolarHBondContact O-N 3.32Å; S162-V166 VanDerWaalsContact O-N 3.13Å
163	F	33	Very low	34.8	Very low	182 Å²	182	109.7 Å²	109.7	80%	0.798	57%	0.571	S	S	*	*	H	α-helix	trans	-51.5	-33.7	-180	-170.5	-97	0	0	0	113.1	V166 A167	F163-V166 PolarHBondContact O-N 3.33Å; F163-A167 PolarHBondContact O-N 3.42Å; F163-A167 VanDerWaalsContact O-N 3.11Å
164	N	36.1	Very low	34.3	Very low	132 Å²	132	104.1 Å²	104.1	71%	0.706	57%	0.568	S	S	*	*	H	α-helix	trans	-73.1	-27.9	176.5	-68.3	-16	0	0	0	113.6	S162	S162-N164 PolarHBondContact O-N 2.96Å
165	E	39	Very low	34.2	Very low	57 Å²	57	103.3 Å²	103.3	27%	0.266	57%	0.568	S	S	.	*	H	α-helix	trans	-75.2	-39.7	174.3	-73.3	167.4	131.2	0	0	110.5	L161 S162 S168 Y169	L161-E165 HydrophobicContact CB-CB 4.2Å; L161-E165 HydrophobicContact CD2-CB 3.86Å; L161-E165 HydrophobicContact CD2-CG 4.29Å; S162-E165 WeakPolarHBondContact CB-OE2 3.36Å; S162-E165 PolarHBondContact N-OE2 3.35Å; S162-E165 WeakPolarHBondContact O-CA 3.49Å; S162-E165 WeakPolarHBondContact O-CB 3.37Å; S162-E165 PolarHBondContact O-N 2.97Å; S162-E165 WeakPolarHBondContact OG-CG 3.41Å; S162-E165 PolarHBondContact OG-OE2 2.97Å; E165-S168 PolarHBondContact O-N 2.8Å; E165-S168 PolarHBondContact O-OG 3.48Å; E165-Y169 WeakPolarHBondContact O-CD2 3.18Å; E165-Y169 WeakPolarHBondContact O-CE2 3.46Å
166	V	35.6	Very low	34	Very low	39 Å²	39	100.9 Å²	100.9	24%	0.236	56%	0.564	C	S	.	*	H	α-helix	trans	-64.2	-41	176	-178.2	0	0	0	0	111.7	L161 S162 F163 S168 Y169 M170	L161-V166 HydrophobicContact CB-CG2 4.1Å; S162-V166 PolarHBondContact O-N 3.32Å; S162-V166 VanDerWaalsContact O-N 3.13Å; F163-V166 PolarHBondContact O-N 3.33Å; V166-S168 PolarHBondContact O-N 3Å; V166-Y169 PolarHBondContact O-N 3.43Å; V166-M170 HydrophobicContact CG1-CG 4.29Å; V166-M170 HydrophobicContact CG1-SD 3.82Å; V166-M170 PolarHBondContact O-N 3Å; V166-M170 VanDerWaalsContact O-N 3.1Å
167	A	34.2	Very low	33.7	Very low	53 Å²	53	99.3 Å²	99.3	44%	0.438	56%	0.562	S	S	.	*	H	α-helix	trans	-59.7	-33.4	176.3	0	0	0	0	0	113.1	F163 Y169 M170 D171	F163-A167 PolarHBondContact O-N 3.42Å; F163-A167 VanDerWaalsContact O-N 3.11Å; A167-Y169 VanDerWaalsContact C-N 3.3Å; A167-Y169 PolarHBondContact O-N 3.07Å; A167-M170 PolarHBondContact O-N 2.92Å; A167-D171 PolarHBondContact O-N 3.16Å
168	S	33.1	Very low	33.4	Very low	60 Å²	60	99.1 Å²	99.1	42%	0.42	56%	0.563	S	S	.	*	H	α-helix	trans	-73.4	-20.3	177	75.4	0	0	0	0	114.3	E165 V166	E165-S168 PolarHBondContact O-N 2.8Å; E165-S168 PolarHBondContact O-OG 3.48Å; V166-S168 PolarHBondContact O-N 3Å
169	Y	32.7	Very low	32.9	Very low	118 Å²	118	101 Å²	101	46%	0.463	57%	0.573	S	S	.	*	H	α-helix	trans	-91.2	-24.8	175.7	-68.8	-67.7	0	0	0	112.7	E165 V166 A167	E165-Y169 WeakPolarHBondContact O-CD2 3.18Å; E165-Y169 WeakPolarHBondContact O-CE2 3.46Å; V166-Y169 PolarHBondContact O-N 3.43Å; A167-Y169 VanDerWaalsContact C-N 3.3Å; A167-Y169 PolarHBondContact O-N 3.07Å
170	M	29.9	Very low	32.8	Very low	136 Å²	136	99.4 Å²	99.4	67%	0.67	57%	0.572	S	S	*	*	H	α-helix	trans	-86.9	-15.8	-177.5	-71.3	-176.1	77	0	0	114.5	V166 A167 I172	V166-M170 HydrophobicContact CG1-CG 4.29Å; V166-M170 HydrophobicContact CG1-SD 3.82Å; V166-M170 PolarHBondContact O-N 3Å; V166-M170 VanDerWaalsContact O-N 3.1Å; A167-M170 PolarHBondContact O-N 2.92Å; M170-I172 PolarHBondContact O-N 3.41Å
171	D	30.4	Very low	32.4	Very low	148 Å²	148	102.7 Å²	102.7	79%	0.791	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71	7.9	172.7	-105.7	-3.1	0	0	0	113.8	A167	A167-D171 PolarHBondContact O-N 3.16Å
172	I	29.9	Very low	31.9	Very low	109 Å²	109	106.2 Å²	106.2	56%	0.559	59%	0.594	S	S	*	*			trans	-102.1	71.8	178.5	-50.7	176.1	0	0	0	108.2	M170	M170-I172 PolarHBondContact O-N 3.41Å
173	G	26.7	Very low	31.3	Very low	53 Å²	53	111.8 Å²	111.8	55%	0.546	61%	0.613	S	S	.	*	S	Bend	trans	171.8	106.6	176.5	0	0	0	0	0	108.7	D175	G173-D175 PolarHBondContact O-N 3.08Å
174	G	26.1	Very low	31	Very low	85 Å²	85	111.1 Å²	111.1	88%	0.876	61%	0.613	S	S	*	*	S	Bend	trans	-69.4	31.2	-177.1	0	0	0	0	0	115.1
175	D	27	Very low	30.5	Very low	116 Å²	116	110.6 Å²	110.6	62%	0.62	62%	0.617	S	S	*	*			trans	-115.7	94.6	178	-76.5	-21.9	0	0	0	109.2	G173 S177	G173-D175 PolarHBondContact O-N 3.08Å; D175-S177 PolarHBondContact O-N 3.13Å
176	N	32.6	Very low	30	Very low	136 Å²	136	115.8 Å²	115.8	73%	0.727	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	15.9	167.9	-72.8	-21.6	0	0	0	112.7
177	S	31.7	Very low	29.7	Very low	78 Å²	78	118.7 Å²	118.7	55%	0.545	67%	0.667	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85	-15.9	-177.4	55.9	0	0	0	0	113.9	D175	D175-S177 PolarHBondContact O-N 3.13Å
178	I	30.1	Very low	29.4	Very low	108 Å²	108	124.2 Å²	124.2	55%	0.554	69%	0.689	S	S	*	*	S	Bend	trans	-90.9	-16.9	-179.3	-57.4	176.9	0	0	0	112.1	N180 I182	I178-N180 VanDerWaalsContact C-N 3.3Å; I178-N180 PolarHBondContact O-N 3.28Å; I178-I182 HydrophobicContact CG2-CD1 4.48Å
179	L	29.2	Very low	29.2	Very low	127 Å²	127	128.8 Å²	128.8	67%	0.665	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	-8.8	178.8	-77.7	168.4	0	0	0	114.2
180	N	31.6	Very low	29	Very low	136 Å²	136	128.3 Å²	128.3	73%	0.727	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.9	0.8	175.3	-71	-10.4	0	0	0	113.7	I178	I178-N180 VanDerWaalsContact C-N 3.3Å; I178-N180 PolarHBondContact O-N 3.28Å
181	E	30.6	Very low	28.9	Very low	170 Å²	170	131.2 Å²	131.2	79%	0.794	73%	0.727	S	S	*	*	S	Bend	trans	-109.3	4	178.7	-97.6	-178.6	168.6	0	0	113.7
182	I	29.8	Very low	28.9	Very low	127 Å²	127	130.4 Å²	130.4	65%	0.651	73%	0.727	S	S	*	*	S	Bend	trans	-113.7	5.8	-179	-54.5	176.4	0	0	0	111.9	I178 E184	I178-I182 HydrophobicContact CG2-CD1 4.48Å; I182-E184 PolarHBondContact O-N 3.23Å
183	E	28.4	Very low	28.9	Very low	177 Å²	177	130.5 Å²	130.5	83%	0.827	74%	0.735	S	S	*	*			trans	-91.1	73.3	166.1	-75.2	-170.7	156.2	0	0	110.7
184	E	26.1	Very low	29.1	Very low	169 Å²	169	139 Å²	139	79%	0.79	75%	0.752	S	S	*	*			trans	-115.4	123.8	161	-125.2	-173.9	-175	0	0	109.2	I182 L186	I182-E184 PolarHBondContact O-N 3.23Å; E184-L186 PolarHBondContact O-N 3.23Å; E184-L186 VanDerWaalsContact O-N 3.08Å
185	P	26.8	Very low	29.3	Very low	120 Å²	120	138.5 Å²	138.5	78%	0.779	74%	0.735	S	S	*	*			trans	-77.3	102.4	-176.4	31.4	-30.3	0	0	0	108.5	S187	P185-S187 VanDerWaalsContact C-N 3.32Å; P185-S187 PolarHBondContact O-N 2.92Å
186	L	27.2	Very low	29.7	Very low	167 Å²	167	141.9 Å²	141.9	87%	0.874	75%	0.747	S	S	*	*			trans	-68.4	93.8	170.4	-105.3	115.5	0	0	0	109.8	E184 L188	E184-L186 PolarHBondContact O-N 3.23Å; E184-L186 VanDerWaalsContact O-N 3.08Å; L186-L188 PolarHBondContact O-N 3.5Å
187	S	28.8	Very low	29.8	Very low	99 Å²	99	144 Å²	144	69%	0.692	75%	0.752	S	S	*	*			trans	-51	125.7	165.4	49.1	0	0	0	0	110.8	P185 D189	P185-S187 VanDerWaalsContact C-N 3.32Å; P185-S187 PolarHBondContact O-N 2.92Å; S187-D189 PolarHBondContact O-N 3.13Å; S187-D189 VanDerWaalsContact O-N 3.14Å
188	L	28.3	Very low	29.8	Very low	170 Å²	170	150 Å²	150	89%	0.89	76%	0.763	S	S	*	*			trans	-58.4	111.5	168.4	-87.2	91.5	0	0	0	109.7	L186	L186-L188 PolarHBondContact O-N 3.5Å
189	D	29	Very low	29.9	Very low	155 Å²	155	151 Å²	151	83%	0.829	77%	0.766	S	S	*	*			trans	-99.8	120.5	163.2	-123.2	-18.2	0	0	0	110.7	S187	S187-D189 PolarHBondContact O-N 3.13Å; S187-D189 VanDerWaalsContact O-N 3.14Å
190	T	28.5	Very low	30.1	Very low	109 Å²	109	148.8 Å²	148.8	67%	0.669	76%	0.76	S	S	*	*			trans	-63.5	150.4	-178.7	52.7	0	0	0	0	113.2
191	K	28.7	Very low	30.4	Very low	197 Å²	197	147.2 Å²	147.2	86%	0.857	76%	0.755	S	S	*	*			trans	117.8	90.1	157.1	-64.2	165.9	-175.8	174.3	0	115.2
192	T	30.5	Very low	30.8	Very low	131 Å²	131	143.5 Å²	143.5	80%	0.804	74%	0.74	S	S	*	*			trans	-151.1	138.9	137.8	40.8	0	0	0	0	110.5	Y194	T192-Y194 PolarHBondContact O-N 3.47Å
193	P	29.5	Very low	31.2	Very low	111 Å²	111	142 Å²	142	72%	0.721	73%	0.734	S	S	*	*			trans	-99.8	75.8	-165.5	37.8	-31.7	0	0	0	112.5
194	Y	30.6	Very low	31.6	Very low	231 Å²	231	140.2 Å²	140.2	91%	0.906	73%	0.73	S	S	*	*			trans	-151.2	58.6	171	-77.2	-78.3	0	0	0	111.8	T192	T192-Y194 PolarHBondContact O-N 3.47Å
195	S	30.6	Very low	32.2	Very low	74 Å²	74	137.9 Å²	137.9	52%	0.517	72%	0.722	S	S	.	*			trans	-132.2	-4.8	179.2	56.6	0	0	0	0	115.4	Q197	S195-Q197 PolarHBondContact O-N 2.94Å
196	H	35.2	Very low	33	Very low	187 Å²	187	136.3 Å²	136.3	87%	0.866	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	-0.1	-171.4	-93.9	-76.8	0	0	0	117
197	Q	34.6	Very low	33.7	Very low	180 Å²	180	134.2 Å²	134.2	84%	0.841	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.8	2.1	-176.5	-136.9	156.7	-11.4	0	0	114.4	S195	S195-Q197 PolarHBondContact O-N 2.94Å
198	R	30.9	Very low	34.2	Very low	205 Å²	205	137.1 Å²	137.1	77%	0.774	70%	0.704	S	S	*	*	S	Bend	trans	-101.9	-16.4	-180	-136.5	178	-151.3	-158	5.4	114.1	I202	R198-I202 WeakPolarHBondContact O-CD1 3.31Å; R198-I202 WeakPolarHBondContact O-CG1 3.42Å
199	Q	33.5	Very low	34.7	Very low	130 Å²	130	136.3 Å²	136.3	61%	0.607	69%	0.693	S	S	*	*	H	α-helix	trans	-80.9	-24.5	-176.8	-120.2	78.1	11	0	0	114.1
200	S	33.8	Very low	35.2	Very low	79 Å²	79	131.8 Å²	131.8	55%	0.552	67%	0.674	S	S	*	*	H	α-helix	trans	-84.2	-18.6	-175.9	59.9	0	0	0	0	114.6
201	V	37.5	Very low	35.7	Very low	103 Å²	103	131.1 Å²	131.1	62%	0.624	67%	0.674	S	S	*	*	H	α-helix	trans	-90	-18.8	178.7	-177.3	0	0	0	0	112
202	I	38.3	Very low	36.3	Very low	93 Å²	93	130.6 Å²	130.6	48%	0.477	67%	0.672	S	S	.	*	H	α-helix	trans	-82.1	-36.3	179.9	-65.9	173.5	0	0	0	110.8	R198 N204 I206	R198-I202 WeakPolarHBondContact O-CD1 3.31Å; R198-I202 WeakPolarHBondContact O-CG1 3.42Å; I202-N204 PolarHBondContact O-N 3.03Å; I202-I206 HydrophobicContact CG2-CD1 3.83Å; I202-I206 WeakPolarHBondContact O-CD1 3.32Å; I202-I206 VanDerWaalsContact O-CG1 3.26Å; I202-I206 WeakPolarHBondContact O-CG1 3.46Å
203	N	38.1	Very low	36.7	Very low	96 Å²	96	132 Å²	132	51%	0.513	66%	0.662	S	S	.	*	H	α-helix	trans	-74.3	-26.6	-174.5	-73	-3.7	0	0	0	114.4	N205	N203-N205 PolarHBondContact O-N 3.47Å
204	N	37.8	Very low	37.5	Very low	138 Å²	138	134 Å²	134	74%	0.738	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	-3.3	-177.4	-69	-10.6	0	0	0	114.5	I202	I202-N204 PolarHBondContact O-N 3.03Å
205	N	38.9	Very low	38	Very low	120 Å²	120	133.1 Å²	133.1	64%	0.642	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.9	1.6	178.1	-88.6	-35.9	0	0	0	113.6	N203	N203-N205 PolarHBondContact O-N 3.47Å
206	I	42.8	Very low	38.8	Very low	88 Å²	88	131.6 Å²	131.6	45%	0.451	65%	0.653	S	S	.	*	S	Bend	trans	-89.5	-28.9	-174.4	-72.1	169.4	0	0	0	111.7	I202 N208	I202-I206 HydrophobicContact CG2-CD1 3.83Å; I202-I206 WeakPolarHBondContact O-CD1 3.32Å; I202-I206 VanDerWaalsContact O-CG1 3.26Å; I202-I206 WeakPolarHBondContact O-CG1 3.46Å; I206-N208 PolarHBondContact O-N 3.32Å
207	D	41.6	Very low	39.3	Very low	123 Å²	123	130 Å²	130	66%	0.658	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	-19.6	-168.8	-63.3	-21.9	0	0	0	114.8
208	N	39.9	Very low	40.5	Very low	159 Å²	159	124.9 Å²	124.9	85%	0.85	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.6	2.7	178.5	-79.3	-24.2	0	0	0	114.5	I206	I206-N208 PolarHBondContact O-N 3.32Å
209	K	38.2	Very low	42	Very low	153 Å²	153	121 Å²	121	67%	0.665	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.6	-10	179.1	-99.9	179.2	178.5	173.2	0	114.2	R213	K209-R213 PolarHBondContact O-N 2.99Å
210	S	39	Very low	43.7	Very low	61 Å²	61	121.5 Å²	121.5	43%	0.427	62%	0.615	S	S	.	*	H	α-helix	trans	-70.3	-41.7	-175.2	52	0	0	0	0	112.6	F212 R213	S210-F212 PolarHBondContact O-N 2.96Å; S210-R213 PolarHBondContact O-N 2.89Å
211	S	39	Very low	45.5	Very low	94 Å²	94	121.6 Å²	121.6	66%	0.657	61%	0.609	S	S	*	*	H	α-helix	trans	-74.9	-21.1	-175.6	67.8	0	0	0	0	115
212	F	41.3	Very low	47.3	Very low	186 Å²	186	120.2 Å²	120.2	82%	0.816	60%	0.598	S	S	*	*	H	α-helix	trans	-90	-20.8	174.8	-164.1	-100	0	0	0	112.8	S210	S210-F212 PolarHBondContact O-N 2.96Å
213	R	40.3	Very low	49.2	Very low	160 Å²	160	120.8 Å²	120.8	60%	0.604	60%	0.597	S	S	*	*	H	α-helix	trans	-77.1	-33.6	-179.6	-117.8	168.8	76.3	167.1	1.8	112.8	K209 S210 R215 G216 W217	K209-R213 PolarHBondContact O-N 2.99Å; S210-R213 PolarHBondContact O-N 2.89Å; R213-R215 PolarHBondContact O-N 3.41Å; R213-G216 PolarHBondContact O-N 3.4Å; R213-W217 PolarHBondContact O-N 3.06Å
214	E	45.5	Very low	51.1	Low	154 Å²	154	119.3 Å²	119.3	72%	0.72	59%	0.587	S	S	*	*	H	α-helix	trans	-66.6	-32.5	-172.7	-72.4	-176.9	166.4	0	0	114.5
215	R	42	Very low	53.1	Low	212 Å²	212	118.7 Å²	118.7	80%	0.8	58%	0.58	S	S	*	*	H	α-helix	trans	-73.6	-30.1	175.5	-72.2	-175.1	-159.6	155.1	7.3	113.6	R213	R213-R215 PolarHBondContact O-N 3.41Å
216	G	45.8	Very low	55.1	Low	42 Å²	42	118.4 Å²	118.4	43%	0.433	57%	0.573	S	S	.	*	H	α-helix	trans	-72.5	-30.4	-179.9	0	0	0	0	0	113.4	R213 Y220	R213-G216 PolarHBondContact O-N 3.4Å; G216-Y220 WeakPolarHBondContact O-CB 3.41Å; G216-Y220 PolarHBondContact O-N 3.38Å
217	W	46.7	Very low	56.9	Low	155 Å²	155	116.2 Å²	116.2	59%	0.587	56%	0.562	S	S	*	*	H	α-helix	trans	-71.8	-34.8	-179.2	-81.2	61.7	0	0	0	112.8	R213 N221	R213-W217 PolarHBondContact O-N 3.06Å; W217-N221 WeakPolarHBondContact O-CB 3.38Å; W217-N221 VanDerWaalsContact O-CG 3.24Å; W217-N221 PolarHBondContact O-N 2.89Å; W217-N221 VanDerWaalsContact O-N 3.13Å; W217-N221 PolarHBondContact O-ND2 3.42Å
218	S	59.3	Low	58.8	Low	71 Å²	71	113.3 Å²	113.3	50%	0.497	55%	0.551	S	S	.	*	H	α-helix	trans	-66.3	-47.4	177.1	176.4	0	0	0	0	112.4	N221 L222	S218-N221 PolarHBondContact O-N 3.36Å; S218-L222 WeakPolarHBondContact O-CG 3.41Å; S218-L222 PolarHBondContact O-N 3.18Å
219	L	62.7	Low	60.9	Low	124 Å²	124	109.2 Å²	109.2	65%	0.649	53%	0.526	S	S	*	.	H	α-helix	trans	-67.5	-36.5	179.7	-78	166.2	0	0	0	112.7	K223	L219-K223 WeakPolarHBondContact O-CB 3.4Å; L219-K223 PolarHBondContact O-N 2.84Å
220	Y	69	Low	63.2	Low	140 Å²	140	103.3 Å²	103.3	55%	0.549	50%	0.5	S	S	.	.	H	α-helix	trans	-64.2	-46.4	175.5	-177.9	-93.6	0	0	0	111.5	G216 L222 K223 E224	G216-Y220 WeakPolarHBondContact O-CB 3.41Å; G216-Y220 PolarHBondContact O-N 3.38Å; Y220-L222 PolarHBondContact O-N 2.89Å; Y220-K223 WeakPolarHBondContact O-CB 2.73Å; Y220-K223 PolarHBondContact O-N 2.64Å; Y220-E224 HydrophobicContact CD1-CG 4.35Å; Y220-E224 HydrophobicContact CE1-CG 3.89Å; Y220-E224 PolarHBondContact O-N 2.96Å
221	N	72	Confident	65.4	Low	82 Å²	82	101 Å²	101	44%	0.439	48%	0.483	S	S	.	.	H	α-helix	trans	-64.1	-39.8	178.1	-71.9	-16	0	0	0	112.2	W217 S218 E224 Q225	W217-N221 WeakPolarHBondContact O-CB 3.38Å; W217-N221 VanDerWaalsContact O-CG 3.24Å; W217-N221 PolarHBondContact O-N 2.89Å; W217-N221 VanDerWaalsContact O-N 3.13Å; W217-N221 PolarHBondContact O-ND2 3.42Å; S218-N221 PolarHBondContact O-N 3.36Å; N221-E224 PolarHBondContact O-N 3.25Å; N221-Q225 VanDerWaalsContact O-CG 3.31Å; N221-Q225 WeakPolarHBondContact O-CG 3.49Å; N221-Q225 PolarHBondContact O-N 3.49Å
222	L	75.4	Confident	67.5	Low	74 Å²	74	96.7 Å²	96.7	39%	0.387	45%	0.452	S	S	.	.	H	α-helix	trans	-62.6	-44.1	173.5	-75.9	170.5	0	0	0	111.5	S218 Y220 E224 Q225 F226	S218-L222 WeakPolarHBondContact O-CG 3.41Å; S218-L222 PolarHBondContact O-N 3.18Å; Y220-L222 PolarHBondContact O-N 2.89Å; L222-E224 PolarHBondContact O-N 3.43Å; L222-Q225 PolarHBondContact O-N 2.85Å; L222-F226 WeakPolarHBondContact O-CD2 3.38Å; L222-F226 PolarHBondContact O-N 3.09Å
223	K	77.8	Confident	69.3	Low	105 Å²	105	88.7 Å²	88.7	46%	0.457	42%	0.419	S	S	.	.	H	α-helix	trans	-59.7	-45.2	177.6	-175.4	-174.5	174.5	-170.6	0	111.7	L219 Y220 F226 I227	L219-K223 WeakPolarHBondContact O-CB 3.4Å; L219-K223 PolarHBondContact O-N 2.84Å; Y220-K223 WeakPolarHBondContact O-CB 2.73Å; Y220-K223 PolarHBondContact O-N 2.64Å; K223-F226 PolarHBondContact O-N 2.91Å; K223-I227 HydrophobicContact CG-CD1 3.95Å; K223-I227 VanDerWaalsContact O-CG1 3.29Å; K223-I227 WeakPolarHBondContact O-CG1 3.18Å; K223-I227 PolarHBondContact O-N 3.24Å
224	E	77.3	Confident	71	Confident	64 Å²	64	86 Å²	86	30%	0.299	42%	0.417	S	S	.	.	H	α-helix	trans	-65.5	-36.5	177.2	-73.9	-59.4	135.5	0	0	112.5	Y220 N221 L222 I227 S228	Y220-E224 HydrophobicContact CD1-CG 4.35Å; Y220-E224 HydrophobicContact CE1-CG 3.89Å; Y220-E224 PolarHBondContact O-N 2.96Å; N221-E224 PolarHBondContact O-N 3.25Å; L222-E224 PolarHBondContact O-N 3.43Å; E224-I227 PolarHBondContact O-N 3.12Å; E224-S228 WeakPolarHBondContact O-CB 3.44Å; E224-S228 PolarHBondContact O-N 3.19Å; E224-S228 PolarHBondContact O-OG 2.86Å
225	Q	80.1	Confident	72.3	Confident	125 Å²	125	82.7 Å²	82.7	58%	0.584	40%	0.404	S	S	*	.	H	α-helix	trans	-64.8	-40.7	172.3	-73.6	176.3	0.4	0	0	112.4	N221 L222 S228 F229	N221-Q225 VanDerWaalsContact O-CG 3.31Å; N221-Q225 WeakPolarHBondContact O-CG 3.49Å; N221-Q225 PolarHBondContact O-N 3.49Å; L222-Q225 PolarHBondContact O-N 2.85Å; Q225-S228 PolarHBondContact O-N 3.38Å; Q225-S228 PolarHBondContact O-OG 3.17Å; Q225-F229 WeakPolarHBondContact O-CB 3.28Å; Q225-F229 PolarHBondContact O-N 2.95Å
226	F	80.6	Confident	73.6	Confident	114 Å²	114	80.3 Å²	80.3	50%	0.5	40%	0.4	S	S	.	.	H	α-helix	trans	-66.1	-42	174.8	-80.5	-66.2	0	0	0	112.1	L222 K223 F229 F230	L222-F226 WeakPolarHBondContact O-CD2 3.38Å; L222-F226 PolarHBondContact O-N 3.09Å; K223-F226 PolarHBondContact O-N 2.91Å; F226-F229 WeakPolarHBondContact O-CB 3.48Å; F226-F229 PolarHBondContact O-N 3.38Å; F226-F230 WeakPolarHBondContact O-CD2 3.37Å; F226-F230 PolarHBondContact O-N 2.93Å
227	I	80.7	Confident	74.5	Confident	42 Å²	42	81 Å²	81	22%	0.215	39%	0.393	C	S	.	.	H	α-helix	trans	-63.5	-44	177	-69	167.9	0	0	0	110.3	K223 E224 F229 F230 Q231	K223-I227 HydrophobicContact CG-CD1 3.95Å; K223-I227 VanDerWaalsContact O-CG1 3.29Å; K223-I227 WeakPolarHBondContact O-CG1 3.18Å; K223-I227 PolarHBondContact O-N 3.24Å; E224-I227 PolarHBondContact O-N 3.12Å; I227-F229 VanDerWaalsContact C-N 3.26Å; I227-F229 PolarHBondContact O-N 2.89Å; I227-F230 PolarHBondContact O-N 3.48Å; I227-Q231 WeakPolarHBondContact O-CG 3.27Å; I227-Q231 PolarHBondContact O-N 2.71Å
228	S	81.6	Confident	75.7	Confident	63 Å²	63	73.8 Å²	73.8	44%	0.441	37%	0.366	S	S	.	.	H	α-helix	trans	-65	-31.2	177.2	73	0	0	0	0	112.4	E224 Q225 F230 Q231	E224-S228 WeakPolarHBondContact O-CB 3.44Å; E224-S228 PolarHBondContact O-N 3.19Å; E224-S228 PolarHBondContact O-OG 2.86Å; Q225-S228 PolarHBondContact O-N 3.38Å; Q225-S228 PolarHBondContact O-OG 3.17Å; S228-F230 VanDerWaalsContact C-N 3.3Å; S228-F230 PolarHBondContact O-N 2.71Å; S228-Q231 WeakPolarHBondContact O-CB 3.29Å; S228-Q231 PolarHBondContact O-N 3.13Å; S228-Q231 VanDerWaalsContact O-N 3.16Å
229	F	85.7	Confident	76.3	Confident	73 Å²	73	72.8 Å²	72.8	32%	0.32	36%	0.355	S	S	.	.	H	α-helix	trans	-67.6	-29.2	175.1	-165.9	-133.1	0	0	0	113.4	Q225 F226 I227 N268 F269 Y272	Q225-F229 WeakPolarHBondContact O-CB 3.28Å; Q225-F229 PolarHBondContact O-N 2.95Å; F226-F229 WeakPolarHBondContact O-CB 3.48Å; F226-F229 PolarHBondContact O-N 3.38Å; I227-F229 VanDerWaalsContact C-N 3.26Å; I227-F229 PolarHBondContact O-N 2.89Å; F229-N268 HydrophobicContact CD2-CB 3.86Å; F229-N268 HydrophobicContact CE2-CB 3.67Å; F229-F269 HydrophobicContact CD1-CB 3.48Å; F229-F269 VanDerWaalsContact CD1-CB 3.48Å; F229-F269 AromaticContact CD1-CD2 3.6Å; F229-F269 HydrophobicContact CD1-CD2 3.6Å; F229-F269 HydrophobicContact CD1-CG 4.01Å; F229-F269 VanDerWaalsContact CE1-CA 3.47Å; F229-F269 HydrophobicContact CE1-CB 3.58Å; F229-F269 AromaticContact CE1-CD2 3.41Å; F229-F269 HydrophobicContact CE1-CD2 3.41Å; F229-F269 VanDerWaalsContact CE1-CD2 3.41Å; F229-F269 AromaticContact CE1-CG 3.96Å; F229-F269 HydrophobicContact CE1-CG 3.96Å; F229-F269 HydrophobicContact CG-CB 3.98Å; F229-F269 VanDerWaalsContact CZ-CA 3.5Å; F229-F269 HydrophobicContact CZ-CB 4.12Å; F229-F269 HydrophobicContact CZ-CD2 4.48Å; F229-F269 WeakPolarHBondContact O-CB 3.32Å; F229-F269 PolarHBondContact O-N 3.43Å; F229-F269 VanDerWaalsContact O-N 3.1Å; F229-Y272 AromaticContact CE2-CD2 3.86Å; F229-Y272 HydrophobicContact CE2-CD2 3.86Å; F229-Y272 HydrophobicContact CE2-CE2 4.21Å; F229-Y272 AromaticContact CZ-CD2 3.77Å; F229-Y272 HydrophobicContact CZ-CD2 3.77Å
230	F	86	Confident	76.7	Confident	29 Å²	29	72 Å²	72	13%	0.127	35%	0.347	C	S	.	.	H	α-helix	trans	-82.4	-9.8	173.1	-61.7	-42.3	0	0	0	114.1	F226 I227 S228 Q255 W261 I263 H264 S267 F269	F226-F230 WeakPolarHBondContact O-CD2 3.37Å; F226-F230 PolarHBondContact O-N 2.93Å; I227-F230 PolarHBondContact O-N 3.48Å; S228-F230 VanDerWaalsContact C-N 3.3Å; S228-F230 PolarHBondContact O-N 2.71Å; F230-Q255 PolarHBondContact O-NE2 3.45Å; F230-W261 HydrophobicContact CD2-CE3 4.37Å; F230-W261 AromaticContact CE2-CE3 3.79Å; F230-W261 HydrophobicContact CE2-CE3 3.79Å; F230-W261 AromaticContact CE2-CZ3 3.94Å; F230-W261 HydrophobicContact CE2-CZ3 3.94Å; F230-I263 HydrophobicContact CD1-CD1 4.48Å; F230-I263 HydrophobicContact CD1-CG1 3.8Å; F230-I263 HydrophobicContact CD1-CG2 4.48Å; F230-I263 HydrophobicContact CE1-CD1 4.33Å; F230-I263 HydrophobicContact CE1-CG1 4.09Å; F230-I263 HydrophobicContact CG-CG1 4.3Å; F230-H264 WeakPolarHBondContact O-CB 3.34Å; F230-H264 PolarHBondContact O-N 3.13Å; F230-S267 VanDerWaalsContact O-CB 3.24Å; F230-S267 WeakPolarHBondContact O-CB 3.21Å; F230-F269 HydrophobicContact CD1-CB 3.67Å; F230-F269 AromaticContact CD1-CD1 3.82Å; F230-F269 HydrophobicContact CD1-CD1 3.82Å; F230-F269 HydrophobicContact CD1-CD2 4.1Å; F230-F269 AromaticContact CD1-CG 3.57Å; F230-F269 HydrophobicContact CD1-CG 3.57Å; F230-F269 HydrophobicContact CE1-CB 4Å; F230-F269 AromaticContact CE1-CD1 3.65Å; F230-F269 HydrophobicContact CE1-CD1 3.65Å; F230-F269 AromaticContact CE1-CD2 3.5Å; F230-F269 HydrophobicContact CE1-CD2 3.5Å; F230-F269 VanDerWaalsContact CE1-CD2 3.5Å; F230-F269 AromaticContact CE1-CE1 3.99Å; F230-F269 HydrophobicContact CE1-CE1 3.99Å; F230-F269 AromaticContact CE1-CE2 3.86Å; F230-F269 HydrophobicContact CE1-CE2 3.86Å; F230-F269 AromaticContact CE1-CG 3.41Å; F230-F269 HydrophobicContact CE1-CG 3.41Å; F230-F269 VanDerWaalsContact CE1-CG 3.41Å; F230-F269 HydrophobicContact CE1-CZ 4.1Å; F230-F269 HydrophobicContact CZ-CD2 4.49Å
231	Q	84.4	Confident	76.8	Confident	13 Å²	13	67.5 Å²	67.5	6%	0.061	33%	0.332	C	S	.	.	S	Bend	trans	-79.6	155	177.5	-74.8	-176.4	-32.7	0	0	112.4	I227 S228 S233 K252 S267	I227-Q231 WeakPolarHBondContact O-CG 3.27Å; I227-Q231 PolarHBondContact O-N 2.71Å; S228-Q231 WeakPolarHBondContact O-CB 3.29Å; S228-Q231 PolarHBondContact O-N 3.13Å; S228-Q231 VanDerWaalsContact O-N 3.16Å; Q231-S233 PolarHBondContact O-N 2.95Å; Q231-K252 HydrophobicContact CB-CG 4.36Å; Q231-K252 PolarHBondContact NE2-O 3.43Å; Q231-S267 VanDerWaalsContact O-CA 3.26Å; Q231-S267 WeakPolarHBondContact O-CA 3.44Å; Q231-S267 VanDerWaalsContact O-CB 3.25Å; Q231-S267 WeakPolarHBondContact O-CB 3.33Å
232	P	82.9	Confident	77	Confident	2 Å²	2	64.4 Å²	64.4	1%	0.013	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-59.2	133.5	172.7	25.6	-34.2	0	0	0	110.4	F242 L248 E251 K252 Q255 C266	P232-F242 HydrophobicContact CB-CE2 4.45Å; P232-L248 HydrophobicContact CB-CD1 3.71Å; P232-L248 HydrophobicContact CG-CD1 3.74Å; P232-E251 HydrophobicContact CG-CG 4.28Å; P232-K252 HydrophobicContact CG-CG 3.78Å; P232-K252 WeakPolarHBondContact O-CE 3.47Å; P232-Q255 VanDerWaalsContact CD-OE1 3.25Å; P232-C266 WeakPolarHBondContact CA-O 3.47Å; P232-C266 HydrophobicContact CB-CB 4.49Å
233	S	78.6	Confident	77	Confident	18 Å²	18	63.8 Å²	63.8	13%	0.126	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-79.1	152.2	-178.2	-171.6	0	0	0	0	111.9	Q231 N235 A238 C266 N268	Q231-S233 PolarHBondContact O-N 2.95Å; S233-N235 PolarHBondContact O-N 3.08Å; S233-N235 PolarHBondContact OG-ND2 2.95Å; S233-N235 PolarHBondContact OG-OD1 3.25Å; S233-A238 WeakPolarHBondContact O-CB 3.29Å; S233-C266 PolarHBondContact N-O 3.05Å; S233-N268 WeakPolarHBondContact CB-OD1 3.23Å; S233-N268 PolarHBondContact OG-ND2 3.21Å; S233-N268 VanDerWaalsContact OG-ND2 3.15Å; S233-N268 PolarHBondContact OG-OD1 3.23Å
234	D	76.7	Confident	77.2	Confident	103 Å²	103	62.9 Å²	62.9	55%	0.551	33%	0.326	S	S	*	.			trans	-76.8	31.2	176.8	-59.2	-33.1	0	0	0	113.1	L248 K252	D234-L248 HydrophobicContact CB-CD2 4.44Å; D234-L248 WeakPolarHBondContact OD1-CD2 3.47Å; D234-K252 VanDerWaalsContact CG-NZ 3.26Å; D234-K252 WeakPolarHBondContact OD1-CE 3.24Å; D234-K252 IonicContact OD1-NZ 3.9Å; D234-K252 PolarHBondContact OD1-NZ 3.25Å; D234-K252 IonicContact OD2-NZ 2.85Å; D234-K252 PolarHBondContact OD2-NZ 3.37Å; D234-K252 VanDerWaalsContact OD2-NZ 3.11Å
235	N	72.3	Confident	77.5	Confident	85 Å²	85	67.6 Å²	67.6	46%	0.455	35%	0.346	S	S	.	.	S	Bend	trans	-77.6	154	-178.8	-68.2	-19.6	0	0	0	111	S233 L237 A238 L239	S233-N235 PolarHBondContact O-N 3.08Å; S233-N235 PolarHBondContact OG-ND2 2.95Å; S233-N235 PolarHBondContact OG-OD1 3.25Å; N235-L237 PolarHBondContact O-N 2.94Å; N235-A238 PolarHBondContact O-N 2.87Å; N235-L239 PolarHBondContact O-N 3.31Å; N235-L239 VanDerWaalsContact O-N 3.09Å
236	K	70.7	Confident	77.7	Confident	162 Å²	162	63.7 Å²	63.7	70%	0.704	33%	0.331	S	S	*	.	H	α-helix	trans	-47.9	-32.3	176	-71	-175	178.8	-179.8	0	113.2	K240	K236-K240 WeakPolarHBondContact O-CB 3.3Å; K236-K240 PolarHBondContact O-N 2.91Å
237	L	65.1	Low	77.8	Confident	57 Å²	57	59.9 Å²	59.9	30%	0.298	32%	0.32	S	S	.	.	H	α-helix	trans	-66.6	-47.3	176.7	172.9	65.8	0	0	0	113.3	N235 L239 K240 L241 F417	N235-L237 PolarHBondContact O-N 2.94Å; L237-L239 VanDerWaalsContact C-N 3.26Å; L237-L239 PolarHBondContact O-N 2.94Å; L237-K240 WeakPolarHBondContact O-CB 3.18Å; L237-K240 PolarHBondContact O-N 3.14Å; L237-K240 VanDerWaalsContact O-N 3.15Å; L237-L241 PolarHBondContact O-N 3.33Å; L237-F417 HydrophobicContact CD1-CD1 3.27Å; L237-F417 HydrophobicContact CD1-CE1 3.65Å; L237-F417 HydrophobicContact CD1-CG 4.36Å; L237-F417 HydrophobicContact CD2-CB 4.39Å; L237-F417 HydrophobicContact CD2-CD1 3.07Å; L237-F417 HydrophobicContact CD2-CD2 4.38Å; L237-F417 HydrophobicContact CD2-CE1 3.15Å; L237-F417 HydrophobicContact CD2-CE2 4.45Å; L237-F417 HydrophobicContact CD2-CG 3.72Å; L237-F417 HydrophobicContact CD2-CZ 3.87Å; L237-F417 HydrophobicContact CG-CD1 3.68Å; L237-F417 HydrophobicContact CG-CE1 3.79Å
238	A	70.3	Confident	78	Confident	3 Å²	3	57.9 Å²	57.9	3%	0.025	31%	0.31	C	S	.	.	H	α-helix	trans	-64.6	-38.2	176	0	0	0	0	0	109.9	S233 N235 K240 L241 F242 L248	S233-A238 WeakPolarHBondContact O-CB 3.29Å; N235-A238 PolarHBondContact O-N 2.87Å; A238-K240 VanDerWaalsContact C-N 3.31Å; A238-K240 PolarHBondContact O-N 2.91Å; A238-L241 PolarHBondContact O-N 3.41Å; A238-L241 VanDerWaalsContact O-N 3.14Å; A238-F242 HydrophobicContact CB-CD2 4.27Å; A238-F242 WeakPolarHBondContact O-CD2 3.45Å; A238-F242 PolarHBondContact O-N 2.87Å; A238-L248 HydrophobicContact CB-CD1 4.28Å; A238-L248 HydrophobicContact CB-CD2 4.43Å
239	L	72.2	Confident	78.1	Confident	50 Å²	50	57.4 Å²	57.4	26%	0.262	31%	0.31	S	S	.	.	H	α-helix	trans	-63.8	-34.5	172.9	-67.5	169.8	0	0	0	112.7	N235 L237 L241 G243 K245	N235-L239 PolarHBondContact O-N 3.31Å; N235-L239 VanDerWaalsContact O-N 3.09Å; L237-L239 VanDerWaalsContact C-N 3.26Å; L237-L239 PolarHBondContact O-N 2.94Å; L239-L241 VanDerWaalsContact C-N 3.32Å; L239-G243 CarbonylContact O-C 3.57Å; L239-G243 WeakPolarHBondContact O-CA 3.29Å; L239-G243 PolarHBondContact O-N 3.48Å; L239-K245 HydrophobicContact CD2-CG 3.92Å
240	K	71.2	Confident	78.1	Confident	108 Å²	108	57.3 Å²	57.3	47%	0.47	32%	0.317	S	S	.	.	H	α-helix	trans	-66.2	-35.5	173.1	-171.3	-177.7	178.8	-169.5	0	111.8	K236 L237 A238 N419	K236-K240 WeakPolarHBondContact O-CB 3.3Å; K236-K240 PolarHBondContact O-N 2.91Å; L237-K240 WeakPolarHBondContact O-CB 3.18Å; L237-K240 PolarHBondContact O-N 3.14Å; L237-K240 VanDerWaalsContact O-N 3.15Å; A238-K240 VanDerWaalsContact C-N 3.31Å; A238-K240 PolarHBondContact O-N 2.91Å; K240-N419 PolarHBondContact NZ-OD1 3.33Å
241	L	70.7	Confident	78.1	Confident	46 Å²	46	56.5 Å²	56.5	24%	0.241	31%	0.313	C	S	.	.	H	α-helix	trans	-74.6	-62.8	176.6	-169.6	64.9	0	0	0	110.3	L237 A238 L239 G243 V332 I335	L237-L241 PolarHBondContact O-N 3.33Å; A238-L241 PolarHBondContact O-N 3.41Å; A238-L241 VanDerWaalsContact O-N 3.14Å; L239-L241 VanDerWaalsContact C-N 3.32Å; L241-G243 PolarHBondContact O-N 3.06Å; L241-V332 HydrophobicContact CD1-CG2 4.24Å; L241-V332 HydrophobicContact CG-CG2 4.17Å; L241-V332 WeakPolarHBondContact O-CG2 3.48Å; L241-I335 HydrophobicContact CD2-CD1 4.3Å
242	F	76.4	Confident	78.1	Confident	16 Å²	16	58 Å²	58	7%	0.07	32%	0.32	C	S	.	.	H	α-helix	trans	-78.8	-12.7	-173.1	-63.4	-77.4	0	0	0	114.6	P232 A238 N244 A247 L248 E251 H264 V332 I335	P232-F242 HydrophobicContact CB-CE2 4.45Å; A238-F242 HydrophobicContact CB-CD2 4.27Å; A238-F242 WeakPolarHBondContact O-CD2 3.45Å; A238-F242 PolarHBondContact O-N 2.87Å; F242-N244 VanDerWaalsContact C-N 3.29Å; F242-N244 PolarHBondContact O-N 3Å; F242-N244 VanDerWaalsContact O-N 3.09Å; F242-A247 HydrophobicContact CB-CB 4.22Å; F242-A247 WeakPolarHBondContact O-CB 3.47Å; F242-L248 HydrophobicContact CB-CB 4.44Å; F242-L248 HydrophobicContact CD2-CD1 3.78Å; F242-L248 HydrophobicContact CE2-CD1 4.07Å; F242-L248 HydrophobicContact CG-CD1 4.42Å; F242-E251 HydrophobicContact CD1-CB 4.27Å; F242-E251 HydrophobicContact CD1-CG 4.44Å; F242-E251 HydrophobicContact CE1-CB 3.86Å; F242-E251 HydrophobicContact CE1-CG 3.57Å; F242-E251 HydrophobicContact CZ-CB 4.28Å; F242-E251 HydrophobicContact CZ-CG 3.68Å; F242-H264 AromaticContact CZ-CE1 3.75Å; F242-H264 AromaticContact CZ-NE2 3.69Å; F242-V332 HydrophobicContact CD1-CG1 3.2Å; F242-V332 HydrophobicContact CE1-CG1 3.45Å; F242-V332 VanDerWaalsContact CE1-CG1 3.45Å; F242-V332 HydrophobicContact CG-CG1 4.13Å; F242-I335 HydrophobicContact CE1-CD1 3.89Å; F242-I335 HydrophobicContact CZ-CD1 3.69Å
243	G	76.5	Confident	78.2	Confident	61 Å²	61	64 Å²	64	63%	0.629	34%	0.342	S	S	*	.	S	Bend	trans	83.8	-53.7	178.6	0	0	0	0	0	114.2	L239 L241	L239-G243 CarbonylContact O-C 3.57Å; L239-G243 WeakPolarHBondContact O-CA 3.29Å; L239-G243 PolarHBondContact O-N 3.48Å; L241-G243 PolarHBondContact O-N 3.06Å
244	N	81.3	Confident	78.6	Confident	86 Å²	86	66.3 Å²	66.3	46%	0.46	35%	0.348	S	S	.	.	S	Bend	trans	-135.3	166.8	-178.2	69.9	13.3	0	0	0	113	F242 V246 A247 L248	F242-N244 VanDerWaalsContact C-N 3.29Å; F242-N244 PolarHBondContact O-N 3Å; F242-N244 VanDerWaalsContact O-N 3.09Å; N244-V246 VanDerWaalsContact C-N 3.29Å; N244-V246 PolarHBondContact O-N 2.89Å; N244-V246 PolarHBondContact OD1-N 3.07Å; N244-A247 WeakPolarHBondContact OD1-CB 3.38Å; N244-A247 PolarHBondContact OD1-N 2.89Å; N244-L248 PolarHBondContact O-N 3.41Å
245	K	83.9	Confident	79	Confident	164 Å²	164	62 Å²	62	71%	0.713	33%	0.325	S	S	*	.	H	α-helix	trans	-65.6	-31.1	179.7	-68.7	-177.2	179.8	178.9	0	112.9	L239 L248 A249	L239-K245 HydrophobicContact CD2-CG 3.92Å; K245-L248 WeakPolarHBondContact O-CB 3.28Å; K245-L248 PolarHBondContact O-N 2.82Å; K245-A249 WeakPolarHBondContact O-CB 3.45Å; K245-A249 PolarHBondContact O-N 3.1Å
246	V	83.5	Confident	79.4	Confident	43 Å²	43	64.8 Å²	64.8	26%	0.261	33%	0.329	S	S	.	.	H	α-helix	trans	-67.4	-46.8	179.8	-179.9	0	0	0	0	110.9	N244 L248 A249 C250	N244-V246 VanDerWaalsContact C-N 3.29Å; N244-V246 PolarHBondContact O-N 2.89Å; N244-V246 PolarHBondContact OD1-N 3.07Å; V246-L248 VanDerWaalsContact C-N 3.27Å; V246-L248 PolarHBondContact O-N 2.89Å; V246-A249 WeakPolarHBondContact O-CB 3.39Å; V246-A249 PolarHBondContact O-N 3.4Å; V246-A249 VanDerWaalsContact O-N 3.1Å; V246-C250 PolarHBondContact O-N 2.85Å; V246-C250 PolarHBondContact O-SG 3.05Å; V246-C250 VanDerWaalsContact O-SG 3.38Å
247	A	83.7	Confident	80	Confident	33 Å²	33	63.5 Å²	63.5	27%	0.273	33%	0.326	S	S	.	.	H	α-helix	trans	-61.1	-39.2	175.2	0	0	0	0	0	111.2	F242 N244 C250 E251	F242-A247 HydrophobicContact CB-CB 4.22Å; F242-A247 WeakPolarHBondContact O-CB 3.47Å; N244-A247 WeakPolarHBondContact OD1-CB 3.38Å; N244-A247 PolarHBondContact OD1-N 2.89Å; A247-C250 WeakPolarHBondContact O-CB 3.43Å; A247-C250 PolarHBondContact O-N 3.26Å; A247-E251 WeakPolarHBondContact O-CB 3.36Å; A247-E251 PolarHBondContact O-N 3.05Å
248	L	84.1	Confident	80.5	Confident	1 Å²	1	63.6 Å²	63.6	1%	0.005	32%	0.324	C	S	.	.	H	α-helix	trans	-63.5	-40.4	173.5	-178.6	60.1	0	0	0	112.2	P232 D234 A238 F242 N244 K245 V246 E251 K252	P232-L248 HydrophobicContact CB-CD1 3.71Å; P232-L248 HydrophobicContact CG-CD1 3.74Å; D234-L248 HydrophobicContact CB-CD2 4.44Å; D234-L248 WeakPolarHBondContact OD1-CD2 3.47Å; A238-L248 HydrophobicContact CB-CD1 4.28Å; A238-L248 HydrophobicContact CB-CD2 4.43Å; F242-L248 HydrophobicContact CB-CB 4.44Å; F242-L248 HydrophobicContact CD2-CD1 3.78Å; F242-L248 HydrophobicContact CE2-CD1 4.07Å; F242-L248 HydrophobicContact CG-CD1 4.42Å; N244-L248 PolarHBondContact O-N 3.41Å; K245-L248 WeakPolarHBondContact O-CB 3.28Å; K245-L248 PolarHBondContact O-N 2.82Å; V246-L248 VanDerWaalsContact C-N 3.27Å; V246-L248 PolarHBondContact O-N 2.89Å; L248-E251 WeakPolarHBondContact O-CB 2.97Å; L248-E251 PolarHBondContact O-N 3.07Å; L248-K252 WeakPolarHBondContact O-CG 3.45Å; L248-K252 PolarHBondContact O-N 2.91Å
249	A	84.3	Confident	80.4	Confident	53 Å²	53	66.4 Å²	66.4	44%	0.438	35%	0.353	S	S	.	.	H	α-helix	trans	-66.4	-41.3	174.8	0	0	0	0	0	112	K245 V246 E251 K252 R253	K245-A249 WeakPolarHBondContact O-CB 3.45Å; K245-A249 PolarHBondContact O-N 3.1Å; V246-A249 WeakPolarHBondContact O-CB 3.39Å; V246-A249 PolarHBondContact O-N 3.4Å; V246-A249 VanDerWaalsContact O-N 3.1Å; A249-E251 VanDerWaalsContact C-N 3.28Å; A249-E251 PolarHBondContact O-N 3.38Å; A249-K252 PolarHBondContact O-N 3.07Å; A249-R253 PolarHBondContact O-N 2.68Å
250	C	85.8	Confident	80.3	Confident	70 Å²	70	68.7 Å²	68.7	47%	0.473	36%	0.361	S	S	.	.	H	α-helix	trans	-59.1	-40.3	171.6	-69.9	0	0	0	0	111.4	V246 A247 R253 R254	V246-C250 PolarHBondContact O-N 2.85Å; V246-C250 PolarHBondContact O-SG 3.05Å; V246-C250 VanDerWaalsContact O-SG 3.38Å; A247-C250 WeakPolarHBondContact O-CB 3.43Å; A247-C250 PolarHBondContact O-N 3.26Å; C250-R253 WeakPolarHBondContact O-CB 3.47Å; C250-R253 PolarHBondContact O-N 3.07Å; C250-R254 WeakPolarHBondContact O-CB 3.48Å; C250-R254 PolarHBondContact O-N 2.74Å
251	E	84.7	Confident	80.8	Confident	12 Å²	12	70.8 Å²	70.8	6%	0.056	37%	0.366	C	S	.	.	H	α-helix	trans	-66.1	-44.7	176.4	-174.3	60.1	-152.2	0	0	112.2	P232 F242 A247 L248 A249 R253 R254 Q255 H264 L337	P232-E251 HydrophobicContact CG-CG 4.28Å; F242-E251 HydrophobicContact CD1-CB 4.27Å; F242-E251 HydrophobicContact CD1-CG 4.44Å; F242-E251 HydrophobicContact CE1-CB 3.86Å; F242-E251 HydrophobicContact CE1-CG 3.57Å; F242-E251 HydrophobicContact CZ-CB 4.28Å; F242-E251 HydrophobicContact CZ-CG 3.68Å; A247-E251 WeakPolarHBondContact O-CB 3.36Å; A247-E251 PolarHBondContact O-N 3.05Å; L248-E251 WeakPolarHBondContact O-CB 2.97Å; L248-E251 PolarHBondContact O-N 3.07Å; A249-E251 VanDerWaalsContact C-N 3.28Å; A249-E251 PolarHBondContact O-N 3.38Å; E251-R253 PolarHBondContact O-N 3.3Å; E251-R254 WeakPolarHBondContact O-CB 3.49Å; E251-R254 PolarHBondContact O-N 2.84Å; E251-R254 IonicContact OE1-CZ 3.22Å; E251-R254 VanDerWaalsContact OE1-CZ 3.25Å; E251-R254 IonicContact OE1-NE 3.59Å; E251-R254 PolarHBondContact OE1-NE 3.04Å; E251-R254 VanDerWaalsContact OE1-NE 3.1Å; E251-R254 IonicContact OE1-NH2 3.73Å; E251-R254 PolarHBondContact OE1-NH2 3.37Å; E251-R254 IonicContact OE2-CZ 3.98Å; E251-R254 IonicContact OE2-NE 3.81Å; E251-R254 PolarHBondContact OE2-NE 3.38Å; E251-R254 IonicContact OE2-NH1 3.55Å; E251-R254 IonicContact OE2-NH2 3.03Å; E251-R254 PolarHBondContact OE2-NH2 3.02Å; E251-Q255 PolarHBondContact O-N 3.09Å; E251-H264 IonicContact OE1-CD2 2.72Å; E251-H264 IonicContact OE1-NE2 2.71Å; E251-L337 WeakPolarHBondContact OE1-CD1 3.39Å
252	K	85.7	Confident	81.7	Confident	45 Å²	45	68.9 Å²	68.9	20%	0.196	36%	0.356	C	S	.	.	H	α-helix	trans	-57	-38.3	173.4	-72.7	178.8	-175.7	176.6	0	111.4	Q231 P232 D234 L248 A249 R256	Q231-K252 HydrophobicContact CB-CG 4.36Å; Q231-K252 PolarHBondContact NE2-O 3.43Å; P232-K252 HydrophobicContact CG-CG 3.78Å; P232-K252 WeakPolarHBondContact O-CE 3.47Å; D234-K252 VanDerWaalsContact CG-NZ 3.26Å; D234-K252 WeakPolarHBondContact OD1-CE 3.24Å; D234-K252 IonicContact OD1-NZ 3.9Å; D234-K252 PolarHBondContact OD1-NZ 3.25Å; D234-K252 IonicContact OD2-NZ 2.85Å; D234-K252 PolarHBondContact OD2-NZ 3.37Å; D234-K252 VanDerWaalsContact OD2-NZ 3.11Å; L248-K252 WeakPolarHBondContact O-CG 3.45Å; L248-K252 PolarHBondContact O-N 2.91Å; A249-K252 PolarHBondContact O-N 3.07Å; K252-R256 WeakPolarHBondContact O-CG 3.44Å; K252-R256 PolarHBondContact O-N 2.95Å
253	R	85.4	Confident	82.3	Confident	127 Å²	127	68.6 Å²	68.6	48%	0.479	36%	0.355	S	S	.	.	H	α-helix	trans	-68.2	-48.2	175.7	-173.1	179.1	-179.9	142.4	7	111.4	A249 C250 E251 Q255 R256 E257	A249-R253 PolarHBondContact O-N 2.68Å; C250-R253 WeakPolarHBondContact O-CB 3.47Å; C250-R253 PolarHBondContact O-N 3.07Å; E251-R253 PolarHBondContact O-N 3.3Å; R253-Q255 VanDerWaalsContact C-N 3.26Å; R253-Q255 PolarHBondContact O-N 3.24Å; R253-R256 WeakPolarHBondContact O-CB 3.15Å; R253-R256 PolarHBondContact O-N 2.99Å; R253-E257 HydrophobicContact CG-CG 4.47Å; R253-E257 WeakPolarHBondContact CG-OE1 3.33Å; R253-E257 IonicContact NE-OE1 3.43Å; R253-E257 PolarHBondContact NE-OE1 3.09Å; R253-E257 VanDerWaalsContact NE-OE1 3.16Å; R253-E257 WeakPolarHBondContact O-CG 3.44Å; R253-E257 PolarHBondContact O-N 3.16Å
254	R	86.2	Confident	82.9	Confident	67 Å²	67	65.7 Å²	65.7	25%	0.253	33%	0.325	S	S	.	.	H	α-helix	trans	-54.1	-42.8	176.4	-172.4	176.6	77.4	161.3	7.4	111.9	C250 E251 Q258 I335 L337	C250-R254 WeakPolarHBondContact O-CB 3.48Å; C250-R254 PolarHBondContact O-N 2.74Å; E251-R254 WeakPolarHBondContact O-CB 3.49Å; E251-R254 PolarHBondContact O-N 2.84Å; E251-R254 IonicContact OE1-CZ 3.22Å; E251-R254 VanDerWaalsContact OE1-CZ 3.25Å; E251-R254 IonicContact OE1-NE 3.59Å; E251-R254 PolarHBondContact OE1-NE 3.04Å; E251-R254 VanDerWaalsContact OE1-NE 3.1Å; E251-R254 IonicContact OE1-NH2 3.73Å; E251-R254 PolarHBondContact OE1-NH2 3.37Å; E251-R254 IonicContact OE2-CZ 3.98Å; E251-R254 IonicContact OE2-NE 3.81Å; E251-R254 PolarHBondContact OE2-NE 3.38Å; E251-R254 IonicContact OE2-NH1 3.55Å; E251-R254 IonicContact OE2-NH2 3.03Å; E251-R254 PolarHBondContact OE2-NH2 3.02Å; R254-Q258 PolarHBondContact O-N 3.36Å; R254-I335 PolarHBondContact NH2-O 3.05Å; R254-L337 HydrophobicContact CG-CD1 4.38Å
255	Q	84.2	Confident	83	Confident	13 Å²	13	62 Å²	62	6%	0.061	31%	0.306	C	S	.	.	H	α-helix	trans	-66.1	-42	176.3	-170.3	-172.4	-0.4	0	0	112.6	F230 P232 E251 R253 Q258 I262 L337	F230-Q255 PolarHBondContact O-NE2 3.45Å; P232-Q255 VanDerWaalsContact CD-OE1 3.25Å; E251-Q255 PolarHBondContact O-N 3.09Å; R253-Q255 VanDerWaalsContact C-N 3.26Å; R253-Q255 PolarHBondContact O-N 3.24Å; Q255-Q258 PolarHBondContact O-N 3.2Å; Q255-I262 HydrophobicContact CG-CG2 3.53Å; Q255-I262 PolarHBondContact NE2-O 2.84Å; Q255-L337 HydrophobicContact CB-CD1 4.33Å
256	R	82.4	Confident	82.8	Confident	143 Å²	143	55.1 Å²	55.1	54%	0.54	28%	0.278	S	S	.	.	H	α-helix	trans	-63.2	-42.4	177.5	-78.8	-179.1	177.9	178	3	111.8	K252 R253 Q258 G259	K252-R256 WeakPolarHBondContact O-CG 3.44Å; K252-R256 PolarHBondContact O-N 2.95Å; R253-R256 WeakPolarHBondContact O-CB 3.15Å; R253-R256 PolarHBondContact O-N 2.99Å; R256-Q258 PolarHBondContact O-N 3.44Å; R256-G259 PolarHBondContact O-N 2.99Å
257	E	81.6	Confident	82.9	Confident	136 Å²	136	53.1 Å²	53.1	64%	0.636	27%	0.266	S	S	*	.	H	α-helix	trans	-60.8	-30.2	180	-73.8	172.5	-177.2	0	0	112.6	R253 G259	R253-E257 HydrophobicContact CG-CG 4.47Å; R253-E257 WeakPolarHBondContact CG-OE1 3.33Å; R253-E257 IonicContact NE-OE1 3.43Å; R253-E257 PolarHBondContact NE-OE1 3.09Å; R253-E257 VanDerWaalsContact NE-OE1 3.16Å; R253-E257 WeakPolarHBondContact O-CG 3.44Å; R253-E257 PolarHBondContact O-N 3.16Å; E257-G259 VanDerWaalsContact C-N 3.3Å; E257-G259 PolarHBondContact O-N 2.71Å
258	Q	77.2	Confident	83	Confident	59 Å²	59	53.9 Å²	53.9	28%	0.276	27%	0.266	S	S	.	.	H	α-helix	trans	-72.1	-20.8	176.7	-68.6	-167.6	3	0	0	114	R254 Q255 R256 K260 L337	R254-Q258 PolarHBondContact O-N 3.36Å; Q255-Q258 PolarHBondContact O-N 3.2Å; R256-Q258 PolarHBondContact O-N 3.44Å; Q258-K260 VanDerWaalsContact O-CG 3.24Å; Q258-K260 WeakPolarHBondContact O-CG 3.34Å; Q258-K260 PolarHBondContact O-N 3.03Å; Q258-L337 VanDerWaalsContact CD-CB 3.49Å; Q258-L337 PolarHBondContact OE1-O 3.42Å
259	G	67.9	Low	83.3	Confident	61 Å²	61	55.7 Å²	55.7	63%	0.629	27%	0.274	S	S	*	.			trans	61.2	3.9	167.5	0	0	0	0	0	117.9	R256 E257	R256-G259 PolarHBondContact O-N 2.99Å; E257-G259 VanDerWaalsContact C-N 3.3Å; E257-G259 PolarHBondContact O-N 2.71Å
260	K	70.3	Confident	83.4	Confident	99 Å²	99	54 Å²	54	43%	0.43	26%	0.256	S	S	.	.	S	Bend	trans	-104.7	29.9	-165	-75.3	174.5	-161.6	175.4	0	115.5	Q258 I262 R323 D338 P339	Q258-K260 VanDerWaalsContact O-CG 3.24Å; Q258-K260 WeakPolarHBondContact O-CG 3.34Å; Q258-K260 PolarHBondContact O-N 3.03Å; K260-I262 PolarHBondContact O-N 3.42Å; K260-R323 PolarHBondContact O-NH1 2.9Å; K260-D338 IonicContact NZ-OD1 3.45Å; K260-D338 PolarHBondContact NZ-OD1 3.21Å; K260-P339 HydrophobicContact CB-CG 4.41Å; K260-P339 HydrophobicContact CD-CG 3.48Å; K260-P339 VanDerWaalsContact CD-CG 3.48Å
261	W	81.8	Confident	83.3	Confident	152 Å²	152	54.2 Å²	54.2	58%	0.576	25%	0.249	S	C	*	.			trans	47.6	48.6	-175.9	-67.8	85.3	0	0	0	111.9	F230	F230-W261 HydrophobicContact CD2-CE3 4.37Å; F230-W261 AromaticContact CE2-CE3 3.79Å; F230-W261 HydrophobicContact CE2-CE3 3.79Å; F230-W261 AromaticContact CE2-CZ3 3.94Å; F230-W261 HydrophobicContact CE2-CZ3 3.94Å
262	I	88.7	Confident	83.5	Confident	6 Å²	6	59.8 Å²	59.8	3%	0.031	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-87.1	137	-179.9	-160.1	78.9	0	0	0	109.6	Q255 K260 R323 L337 P339 I342	Q255-I262 HydrophobicContact CG-CG2 3.53Å; Q255-I262 PolarHBondContact NE2-O 2.84Å; K260-I262 PolarHBondContact O-N 3.42Å; I262-R323 VanDerWaalsContact CD1-O 3.24Å; I262-R323 WeakPolarHBondContact CD1-O 3.22Å; I262-R323 WeakPolarHBondContact CG1-O 3.24Å; I262-L337 VanDerWaalsContact CD1-O 3.23Å; I262-L337 WeakPolarHBondContact CD1-O 3.28Å; I262-L337 HydrophobicContact CG1-CD2 4.38Å; I262-L337 WeakPolarHBondContact CG1-O 3.43Å; I262-L337 HydrophobicContact CG2-CD2 4.48Å; I262-P339 HydrophobicContact CD1-CB 4.49Å; I262-I342 HydrophobicContact CD1-CD1 3.58Å; I262-I342 HydrophobicContact CG1-CD1 4.33Å
263	I	89.9	Confident	83.7	Confident	10 Å²	10	59.5 Å²	59.5	5%	0.051	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-97	120.4	179.7	-60.6	166.2	0	0	0	107.8	F230 F269 R270 V320 R323 T324 G325	F230-I263 HydrophobicContact CD1-CD1 4.48Å; F230-I263 HydrophobicContact CD1-CG1 3.8Å; F230-I263 HydrophobicContact CD1-CG2 4.48Å; F230-I263 HydrophobicContact CE1-CD1 4.33Å; F230-I263 HydrophobicContact CE1-CG1 4.09Å; F230-I263 HydrophobicContact CG-CG1 4.3Å; I263-F269 HydrophobicContact CD1-CD1 3.99Å; I263-F269 HydrophobicContact CD1-CE1 3.66Å; I263-F269 HydrophobicContact CG1-CD1 4.39Å; I263-F269 HydrophobicContact CG2-CD1 3.88Å; I263-R270 HydrophobicContact CG2-CB 4.06Å; I263-V320 HydrophobicContact CD1-CG1 3.86Å; I263-R323 HydrophobicContact CD1-CB 4.32Å; I263-R323 PolarHBondContact N-O 3.29Å; I263-T324 WeakPolarHBondContact O-CA 3.29Å; I263-G325 PolarHBondContact O-N 3.36Å
264	H	87.7	Confident	83.7	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-71.5	138.2	175.8	-170	-82	0	0	0	110	F230 F242 E251 C266 S267	F230-H264 WeakPolarHBondContact O-CB 3.34Å; F230-H264 PolarHBondContact O-N 3.13Å; F242-H264 AromaticContact CZ-CE1 3.75Å; F242-H264 AromaticContact CZ-NE2 3.69Å; E251-H264 IonicContact OE1-CD2 2.72Å; E251-H264 IonicContact OE1-NE2 2.71Å; H264-C266 VanDerWaalsContact C-N 3.26Å; H264-C266 WeakPolarHBondContact ND1-CB 3.28Å; H264-C266 PolarHBondContact ND1-N 2.64Å; H264-C266 PolarHBondContact O-N 3.23Å; H264-S267 WeakPolarHBondContact O-CB 3.47Å; H264-S267 PolarHBondContact O-N 2.9Å; H264-S267 PolarHBondContact O-OG 2.87Å
265	P	83.6	Confident	83.8	Confident	9 Å²	9	52.3 Å²	52.3	6%	0.058	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-35.2	-179.2	20.5	-32.4	0	0	0	113.2	S267 I327 I335	P265-S267 VanDerWaalsContact C-N 3.31Å; P265-S267 PolarHBondContact O-N 2.7Å; P265-I327 HydrophobicContact CB-CD1 4.23Å; P265-I327 HydrophobicContact CB-CG1 4.28Å; P265-I327 HydrophobicContact CG-CD1 4.11Å; P265-I327 HydrophobicContact CG-CG1 3.87Å; P265-I335 HydrophobicContact CG-CG2 4.25Å
266	C	80.7	Confident	84.1	Confident	18 Å²	18	56.1 Å²	56.1	12%	0.122	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	21.3	175.8	-48.3	0	0	0	0	114.1	P232 S233 H264	P232-C266 WeakPolarHBondContact CA-O 3.47Å; P232-C266 HydrophobicContact CB-CB 4.49Å; S233-C266 PolarHBondContact N-O 3.05Å; H264-C266 VanDerWaalsContact C-N 3.26Å; H264-C266 WeakPolarHBondContact ND1-CB 3.28Å; H264-C266 PolarHBondContact ND1-N 2.64Å; H264-C266 PolarHBondContact O-N 3.23Å
267	S	85.6	Confident	84.4	Confident	2 Å²	2	49.3 Å²	49.3	1%	0.014	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-79.7	153.3	177.3	63.5	0	0	0	0	112.4	F230 Q231 H264 P265 F269 R270 F271	F230-S267 VanDerWaalsContact O-CB 3.24Å; F230-S267 WeakPolarHBondContact O-CB 3.21Å; Q231-S267 VanDerWaalsContact O-CA 3.26Å; Q231-S267 WeakPolarHBondContact O-CA 3.44Å; Q231-S267 VanDerWaalsContact O-CB 3.25Å; Q231-S267 WeakPolarHBondContact O-CB 3.33Å; H264-S267 WeakPolarHBondContact O-CB 3.47Å; H264-S267 PolarHBondContact O-N 2.9Å; H264-S267 PolarHBondContact O-OG 2.87Å; P265-S267 VanDerWaalsContact C-N 3.31Å; P265-S267 PolarHBondContact O-N 2.7Å; S267-F269 VanDerWaalsContact C-N 3.3Å; S267-F269 PolarHBondContact O-N 3.35Å; S267-R270 PolarHBondContact O-N 3.41Å; S267-R270 VanDerWaalsContact OG-CB 3.26Å; S267-R270 WeakPolarHBondContact OG-CB 3.38Å; S267-R270 PolarHBondContact OG-N 3.01Å; S267-R270 VanDerWaalsContact OG-N 3.12Å; S267-F271 PolarHBondContact O-N 2.85Å
268	N	85.2	Confident	84.7	Confident	49 Å²	49	45 Å²	45	26%	0.262	22%	0.221	S	C	.	.	H	α-helix	trans	-63.1	-38.6	173.2	-78.9	-18.9	0	0	0	111.1	F229 S233 R270 F271 Y272	F229-N268 HydrophobicContact CD2-CB 3.86Å; F229-N268 HydrophobicContact CE2-CB 3.67Å; S233-N268 WeakPolarHBondContact CB-OD1 3.23Å; S233-N268 PolarHBondContact OG-ND2 3.21Å; S233-N268 VanDerWaalsContact OG-ND2 3.15Å; S233-N268 PolarHBondContact OG-OD1 3.23Å; N268-R270 VanDerWaalsContact C-N 3.34Å; N268-R270 PolarHBondContact O-N 3.29Å; N268-F271 WeakPolarHBondContact O-CB 3.33Å; N268-F271 PolarHBondContact O-N 2.87Å; N268-Y272 HydrophobicContact CB-CD2 4.41Å; N268-Y272 HydrophobicContact CB-CE2 4.27Å; N268-Y272 WeakPolarHBondContact O-CD2 3.43Å; N268-Y272 PolarHBondContact O-N 3.46Å
269	F	90	Very high	85.3	Confident	38 Å²	38	47.6 Å²	47.6	17%	0.167	24%	0.236	C	C	.	.	H	α-helix	trans	-53.8	-51.9	172.6	176.3	-93	0	0	0	111.3	F229 F230 I263 S267 F271 Y272 W273 V320	F229-F269 HydrophobicContact CD1-CB 3.48Å; F229-F269 VanDerWaalsContact CD1-CB 3.48Å; F229-F269 AromaticContact CD1-CD2 3.6Å; F229-F269 HydrophobicContact CD1-CD2 3.6Å; F229-F269 HydrophobicContact CD1-CG 4.01Å; F229-F269 VanDerWaalsContact CE1-CA 3.47Å; F229-F269 HydrophobicContact CE1-CB 3.58Å; F229-F269 AromaticContact CE1-CD2 3.41Å; F229-F269 HydrophobicContact CE1-CD2 3.41Å; F229-F269 VanDerWaalsContact CE1-CD2 3.41Å; F229-F269 AromaticContact CE1-CG 3.96Å; F229-F269 HydrophobicContact CE1-CG 3.96Å; F229-F269 HydrophobicContact CG-CB 3.98Å; F229-F269 VanDerWaalsContact CZ-CA 3.5Å; F229-F269 HydrophobicContact CZ-CB 4.12Å; F229-F269 HydrophobicContact CZ-CD2 4.48Å; F229-F269 WeakPolarHBondContact O-CB 3.32Å; F229-F269 PolarHBondContact O-N 3.43Å; F229-F269 VanDerWaalsContact O-N 3.1Å; F230-F269 HydrophobicContact CD1-CB 3.67Å; F230-F269 AromaticContact CD1-CD1 3.82Å; F230-F269 HydrophobicContact CD1-CD1 3.82Å; F230-F269 HydrophobicContact CD1-CD2 4.1Å; F230-F269 AromaticContact CD1-CG 3.57Å; F230-F269 HydrophobicContact CD1-CG 3.57Å; F230-F269 HydrophobicContact CE1-CB 4Å; F230-F269 AromaticContact CE1-CD1 3.65Å; F230-F269 HydrophobicContact CE1-CD1 3.65Å; F230-F269 AromaticContact CE1-CD2 3.5Å; F230-F269 HydrophobicContact CE1-CD2 3.5Å; F230-F269 VanDerWaalsContact CE1-CD2 3.5Å; F230-F269 AromaticContact CE1-CE1 3.99Å; F230-F269 HydrophobicContact CE1-CE1 3.99Å; F230-F269 AromaticContact CE1-CE2 3.86Å; F230-F269 HydrophobicContact CE1-CE2 3.86Å; F230-F269 AromaticContact CE1-CG 3.41Å; F230-F269 HydrophobicContact CE1-CG 3.41Å; F230-F269 VanDerWaalsContact CE1-CG 3.41Å; F230-F269 HydrophobicContact CE1-CZ 4.1Å; F230-F269 HydrophobicContact CZ-CD2 4.49Å; I263-F269 HydrophobicContact CD1-CD1 3.99Å; I263-F269 HydrophobicContact CD1-CE1 3.66Å; I263-F269 HydrophobicContact CG1-CD1 4.39Å; I263-F269 HydrophobicContact CG2-CD1 3.88Å; S267-F269 VanDerWaalsContact C-N 3.3Å; S267-F269 PolarHBondContact O-N 3.35Å; F269-F271 VanDerWaalsContact C-N 3.29Å; F269-F271 PolarHBondContact O-N 3.48Å; F269-Y272 PolarHBondContact O-N 3.13Å; F269-W273 HydrophobicContact CE1-CB 4.25Å; F269-W273 HydrophobicContact CE1-CD2 4.49Å; F269-W273 HydrophobicContact CE1-CG 4.37Å; F269-W273 HydrophobicContact CE2-CE3 4.39Å; F269-W273 HydrophobicContact CZ-CB 4.49Å; F269-W273 HydrophobicContact CZ-CD2 4.23Å; F269-W273 AromaticContact CZ-CE3 3.85Å; F269-W273 HydrophobicContact CZ-CE3 3.85Å; F269-W273 WeakPolarHBondContact O-CB 3.37Å; F269-W273 PolarHBondContact O-N 3.06Å; F269-V320 HydrophobicContact CE1-CG1 4.13Å
270	R	87.3	Confident	86.3	Confident	18 Å²	18	45.7 Å²	45.7	7%	0.068	21%	0.211	C	C	.	.	H	α-helix	trans	-63.2	-38.7	-177.9	-176.2	54.5	173.5	176.5	-4.9	111.5	I263 S267 N268 N274 D317 N321 T324	I263-R270 HydrophobicContact CG2-CB 4.06Å; S267-R270 PolarHBondContact O-N 3.41Å; S267-R270 VanDerWaalsContact OG-CB 3.26Å; S267-R270 WeakPolarHBondContact OG-CB 3.38Å; S267-R270 PolarHBondContact OG-N 3.01Å; S267-R270 VanDerWaalsContact OG-N 3.12Å; N268-R270 VanDerWaalsContact C-N 3.34Å; N268-R270 PolarHBondContact O-N 3.29Å; R270-N274 PolarHBondContact NE-OD1 3.37Å; R270-N274 PolarHBondContact NH1-OD1 3.13Å; R270-N274 WeakPolarHBondContact O-CB 3.26Å; R270-N274 PolarHBondContact O-N 2.89Å; R270-N274 PolarHBondContact O-OD1 2.8Å; R270-D317 IonicContact NH1-OD1 3.55Å; R270-N321 PolarHBondContact NH1-OD1 3.42Å; R270-N321 PolarHBondContact NH2-OD1 2.91Å; R270-T324 HydrophobicContact CG-CG2 4.36Å
271	F	83.8	Confident	87.2	Confident	75 Å²	75	41 Å²	41	33%	0.329	19%	0.191	S	C	.	.	H	α-helix	trans	-59.7	-56.7	175.4	178.5	-97.5	0	0	0	112.1	S267 N268 F269 W273 N274 V275 W414	S267-F271 PolarHBondContact O-N 2.85Å; N268-F271 WeakPolarHBondContact O-CB 3.33Å; N268-F271 PolarHBondContact O-N 2.87Å; F269-F271 VanDerWaalsContact C-N 3.29Å; F269-F271 PolarHBondContact O-N 3.48Å; F271-W273 VanDerWaalsContact C-N 3.33Å; F271-W273 PolarHBondContact O-N 3.4Å; F271-N274 WeakPolarHBondContact O-CB 3.44Å; F271-N274 PolarHBondContact O-N 2.99Å; F271-V275 HydrophobicContact CD1-CG2 4.48Å; F271-V275 HydrophobicContact CE1-CG2 4.18Å; F271-V275 HydrophobicContact CZ-CG2 4.41Å; F271-V275 WeakPolarHBondContact O-CG2 3.4Å; F271-V275 PolarHBondContact O-N 2.96Å; F271-W414 HydrophobicContact CD2-CH2 4.06Å; F271-W414 HydrophobicContact CD2-CZ2 4.1Å; F271-W414 HydrophobicContact CE1-CH2 4.19Å; F271-W414 HydrophobicContact CE2-CE3 4.38Å; F271-W414 AromaticContact CE2-CH2 3.15Å; F271-W414 HydrophobicContact CE2-CH2 3.15Å; F271-W414 AromaticContact CE2-CZ2 3.63Å; F271-W414 HydrophobicContact CE2-CZ2 3.63Å; F271-W414 AromaticContact CE2-CZ3 3.58Å; F271-W414 HydrophobicContact CE2-CZ3 3.58Å; F271-W414 AromaticContact CZ-CH2 3.24Å; F271-W414 HydrophobicContact CZ-CH2 3.24Å; F271-W414 HydrophobicContact CZ-CZ2 4.03Å; F271-W414 AromaticContact CZ-CZ3 3.8Å; F271-W414 HydrophobicContact CZ-CZ3 3.8Å
272	Y	88.4	Confident	87.4	Confident	128 Å²	128	35.9 Å²	35.9	50%	0.502	17%	0.173	S	C	.	.	H	α-helix	trans	-65	-37.2	-179.5	-70.7	-64.2	0	0	0	112.4	F229 N268 F269 N274 V275 I276	F229-Y272 AromaticContact CE2-CD2 3.86Å; F229-Y272 HydrophobicContact CE2-CD2 3.86Å; F229-Y272 HydrophobicContact CE2-CE2 4.21Å; F229-Y272 AromaticContact CZ-CD2 3.77Å; F229-Y272 HydrophobicContact CZ-CD2 3.77Å; N268-Y272 HydrophobicContact CB-CD2 4.41Å; N268-Y272 HydrophobicContact CB-CE2 4.27Å; N268-Y272 WeakPolarHBondContact O-CD2 3.43Å; N268-Y272 PolarHBondContact O-N 3.46Å; F269-Y272 PolarHBondContact O-N 3.13Å; Y272-N274 VanDerWaalsContact C-N 3.34Å; Y272-N274 PolarHBondContact O-N 3.16Å; Y272-V275 WeakPolarHBondContact O-CB 3.27Å; Y272-V275 PolarHBondContact O-N 2.83Å; Y272-I276 WeakPolarHBondContact O-CG1 3.4Å; Y272-I276 PolarHBondContact O-N 3.46Å
273	W	90.4	Very high	87.4	Confident	39 Å²	39	37.3 Å²	37.3	15%	0.148	19%	0.186	C	C	.	.	H	α-helix	trans	-58.1	-48	172.8	-175.5	-92.1	0	0	0	110.9	F269 F271 V275 I276 M277 L316 D317 V320	F269-W273 HydrophobicContact CE1-CB 4.25Å; F269-W273 HydrophobicContact CE1-CD2 4.49Å; F269-W273 HydrophobicContact CE1-CG 4.37Å; F269-W273 HydrophobicContact CE2-CE3 4.39Å; F269-W273 HydrophobicContact CZ-CB 4.49Å; F269-W273 HydrophobicContact CZ-CD2 4.23Å; F269-W273 AromaticContact CZ-CE3 3.85Å; F269-W273 HydrophobicContact CZ-CE3 3.85Å; F269-W273 WeakPolarHBondContact O-CB 3.37Å; F269-W273 PolarHBondContact O-N 3.06Å; F271-W273 VanDerWaalsContact C-N 3.33Å; F271-W273 PolarHBondContact O-N 3.4Å; W273-V275 VanDerWaalsContact C-N 3.31Å; W273-V275 PolarHBondContact O-N 3.26Å; W273-I276 PolarHBondContact O-N 3Å; W273-M277 HydrophobicContact CG-CG 4.42Å; W273-M277 HydrophobicContact CZ2-SD 4.11Å; W273-M277 WeakPolarHBondContact O-CB 3.44Å; W273-M277 VanDerWaalsContact O-CG 3.26Å; W273-M277 WeakPolarHBondContact O-CG 3.22Å; W273-M277 PolarHBondContact O-N 3.34Å; W273-L316 HydrophobicContact CH2-CB 4.09Å; W273-L316 HydrophobicContact CZ2-CB 4.26Å; W273-D317 HydrophobicContact CZ2-CB 4.26Å; W273-D317 PolarHBondContact NE1-OD1 3.44Å; W273-V320 HydrophobicContact CH2-CG2 4.44Å; W273-V320 HydrophobicContact CZ2-CG2 3.98Å
274	N	85.9	Confident	87.3	Confident	3 Å²	3	37 Å²	37	2%	0.016	19%	0.185	C	C	.	.	H	α-helix	trans	-61.5	-37.1	176.5	-73.1	-7.9	0	0	0	112.3	R270 F271 Y272 L278 Q413	R270-N274 PolarHBondContact NE-OD1 3.37Å; R270-N274 PolarHBondContact NH1-OD1 3.13Å; R270-N274 WeakPolarHBondContact O-CB 3.26Å; R270-N274 PolarHBondContact O-N 2.89Å; R270-N274 PolarHBondContact O-OD1 2.8Å; F271-N274 WeakPolarHBondContact O-CB 3.44Å; F271-N274 PolarHBondContact O-N 2.99Å; Y272-N274 VanDerWaalsContact C-N 3.34Å; Y272-N274 PolarHBondContact O-N 3.16Å; N274-L278 WeakPolarHBondContact O-CB 3.44Å; N274-L278 PolarHBondContact O-N 2.77Å; N274-Q413 PolarHBondContact ND2-OE1 2.92Å
275	V	87	Confident	87.3	Confident	40 Å²	40	37.2 Å²	37.2	24%	0.242	19%	0.186	C	C	.	.	H	α-helix	trans	-61.2	-50	173.8	176.1	0	0	0	0	111	F271 Y272 W273 M277 L278 I279 W414	F271-V275 HydrophobicContact CD1-CG2 4.48Å; F271-V275 HydrophobicContact CE1-CG2 4.18Å; F271-V275 HydrophobicContact CZ-CG2 4.41Å; F271-V275 WeakPolarHBondContact O-CG2 3.4Å; F271-V275 PolarHBondContact O-N 2.96Å; Y272-V275 WeakPolarHBondContact O-CB 3.27Å; Y272-V275 PolarHBondContact O-N 2.83Å; W273-V275 VanDerWaalsContact C-N 3.31Å; W273-V275 PolarHBondContact O-N 3.26Å; V275-M277 VanDerWaalsContact C-N 3.33Å; V275-M277 PolarHBondContact O-N 3.5Å; V275-L278 WeakPolarHBondContact O-CB 3.44Å; V275-L278 PolarHBondContact O-N 2.8Å; V275-I279 HydrophobicContact CG1-CD1 3.88Å; V275-I279 WeakPolarHBondContact O-CG1 3.21Å; V275-I279 PolarHBondContact O-N 3.32Å; V275-W414 HydrophobicContact CG2-CH2 3.55Å; V275-W414 HydrophobicContact CG2-CZ2 3.37Å
276	I	91	Very high	87.5	Confident	93 Å²	93	40.5 Å²	40.5	48%	0.477	20%	0.202	S	C	.	.	H	α-helix	trans	-61.1	-46	-179.7	-67.7	166.8	0	0	0	110.1	Y272 W273 L278 I279 L280	Y272-I276 WeakPolarHBondContact O-CG1 3.4Å; Y272-I276 PolarHBondContact O-N 3.46Å; W273-I276 PolarHBondContact O-N 3Å; I276-L278 VanDerWaalsContact C-N 3.32Å; I276-L278 PolarHBondContact O-N 3.48Å; I276-I279 PolarHBondContact O-N 3.11Å; I276-L280 WeakPolarHBondContact O-CB 3.26Å; I276-L280 PolarHBondContact O-N 2.86Å
277	M	89.4	Confident	87.9	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-63.1	-37.5	177.2	-67.8	-52.5	-61.8	0	0	112.1	W273 V275 L281 F314 D317 Y410	W273-M277 HydrophobicContact CG-CG 4.42Å; W273-M277 HydrophobicContact CZ2-SD 4.11Å; W273-M277 WeakPolarHBondContact O-CB 3.44Å; W273-M277 VanDerWaalsContact O-CG 3.26Å; W273-M277 WeakPolarHBondContact O-CG 3.22Å; W273-M277 PolarHBondContact O-N 3.34Å; V275-M277 VanDerWaalsContact C-N 3.33Å; V275-M277 PolarHBondContact O-N 3.5Å; M277-L281 WeakPolarHBondContact O-CB 3.15Å; M277-L281 PolarHBondContact O-N 3.31Å; M277-F314 HydrophobicContact CE-CD1 3.27Å; M277-F314 HydrophobicContact CE-CE1 3.36Å; M277-F314 HydrophobicContact CE-CG 4.06Å; M277-F314 HydrophobicContact CE-CZ 4.19Å; M277-D317 HydrophobicContact CE-CB 3.66Å; M277-D317 HydrophobicContact SD-CB 4.19Å; M277-Y410 HydrophobicContact CB-CE2 4.18Å
278	L	86.5	Confident	88	Confident	45 Å²	45	43.8 Å²	43.8	24%	0.236	22%	0.217	C	C	.	.	H	α-helix	trans	-65	-46.7	177	178.5	63.8	0	0	0	111.8	N274 V275 I276 L281 M282 L407	N274-L278 WeakPolarHBondContact O-CB 3.44Å; N274-L278 PolarHBondContact O-N 2.77Å; V275-L278 WeakPolarHBondContact O-CB 3.44Å; V275-L278 PolarHBondContact O-N 2.8Å; I276-L278 VanDerWaalsContact C-N 3.32Å; I276-L278 PolarHBondContact O-N 3.48Å; L278-L281 PolarHBondContact O-N 3.25Å; L278-M282 WeakPolarHBondContact O-CB 3.33Å; L278-M282 PolarHBondContact O-N 2.95Å; L278-L407 HydrophobicContact CD1-CD1 3.22Å
279	I	89.3	Confident	88.2	Confident	115 Å²	115	41.8 Å²	41.8	59%	0.59	21%	0.206	S	C	*	.	H	α-helix	trans	-62	-47.8	177.3	-67.2	168.2	0	0	0	110	V275 I276 L281 M282 A283	V275-I279 HydrophobicContact CG1-CD1 3.88Å; V275-I279 WeakPolarHBondContact O-CG1 3.21Å; V275-I279 PolarHBondContact O-N 3.32Å; I276-I279 PolarHBondContact O-N 3.11Å; I279-L281 VanDerWaalsContact C-N 3.32Å; I279-L281 PolarHBondContact O-N 3.02Å; I279-M282 PolarHBondContact O-N 2.81Å; I279-A283 WeakPolarHBondContact O-CB 3.48Å; I279-A283 PolarHBondContact O-N 3.04Å
280	L	90.5	Very high	88.2	Confident	21 Å²	21	40.8 Å²	40.8	11%	0.11	20%	0.203	C	C	.	.	H	α-helix	trans	-61.1	-42.6	178	-177.6	66.4	0	0	0	111.3	I276 A283 N284 F306 L313 F314	I276-L280 WeakPolarHBondContact O-CB 3.26Å; I276-L280 PolarHBondContact O-N 2.86Å; L280-A283 PolarHBondContact O-N 2.9Å; L280-N284 PolarHBondContact O-N 3.42Å; L280-N284 PolarHBondContact O-ND2 3.41Å; L280-F306 HydrophobicContact CD1-CZ 4.49Å; L280-L313 HydrophobicContact CD2-CB 3.7Å; L280-L313 HydrophobicContact CD2-CD1 3.66Å; L280-L313 HydrophobicContact CD2-CG 4.33Å; L280-F314 HydrophobicContact CD2-CD2 4.34Å; L280-F314 HydrophobicContact CD2-CE2 3.87Å; L280-F314 HydrophobicContact CD2-CZ 4.13Å; L280-F314 HydrophobicContact CG-CE2 4.04Å; L280-F314 HydrophobicContact CG-CZ 4.19Å
281	L	88.2	Confident	88.2	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-63.9	-46	178.1	-172.3	156.1	0	0	0	110.9	M277 L278 I279 A283 N284 L285 F314 R403 R406 L407	M277-L281 WeakPolarHBondContact O-CB 3.15Å; M277-L281 PolarHBondContact O-N 3.31Å; L278-L281 PolarHBondContact O-N 3.25Å; I279-L281 VanDerWaalsContact C-N 3.32Å; I279-L281 PolarHBondContact O-N 3.02Å; L281-A283 VanDerWaalsContact C-N 3.33Å; L281-A283 PolarHBondContact O-N 3.37Å; L281-N284 PolarHBondContact O-N 3.25Å; L281-L285 HydrophobicContact CD2-CD1 4.34Å; L281-L285 WeakPolarHBondContact O-CB 3.18Å; L281-L285 PolarHBondContact O-N 3.43Å; L281-F314 HydrophobicContact CB-CZ 4.19Å; L281-R403 HydrophobicContact CD1-CB 4.32Å; L281-R403 WeakPolarHBondContact CD1-O 3.33Å; L281-R406 HydrophobicContact CD1-CB 4.05Å; L281-L407 HydrophobicContact CD1-CB 4Å; L281-L407 HydrophobicContact CD2-CB 3.65Å; L281-L407 HydrophobicContact CD2-CD1 4.06Å; L281-L407 HydrophobicContact CD2-CD2 3.96Å; L281-L407 HydrophobicContact CD2-CG 4.08Å
282	M	85.6	Confident	88.2	Confident	43 Å²	43	37.7 Å²	37.7	21%	0.212	19%	0.191	C	C	.	.	H	α-helix	trans	-59.8	-44.7	177.5	-169.8	60.9	68.3	0	0	111.5	L278 I279 N284 L285 I286 L432 I436	L278-M282 WeakPolarHBondContact O-CB 3.33Å; L278-M282 PolarHBondContact O-N 2.95Å; I279-M282 PolarHBondContact O-N 2.81Å; M282-N284 PolarHBondContact O-N 3.07Å; M282-L285 WeakPolarHBondContact O-CB 3.48Å; M282-L285 PolarHBondContact O-N 3.01Å; M282-I286 HydrophobicContact CG-CD1 4.17Å; M282-I286 WeakPolarHBondContact O-CG1 3.46Å; M282-I286 PolarHBondContact O-N 3.25Å; M282-I286 HydrophobicContact SD-CD1 4.29Å; M282-L432 HydrophobicContact CE-CD1 4.25Å; M282-L432 HydrophobicContact CE-CD2 3.91Å; M282-L432 HydrophobicContact CE-CG 4.41Å; M282-I436 HydrophobicContact CE-CD1 4.31Å; M282-I436 HydrophobicContact SD-CD1 4.14Å
283	A	89.4	Confident	88.1	Confident	36 Å²	36	31.7 Å²	31.7	30%	0.298	17%	0.168	S	C	.	.	H	α-helix	trans	-59.4	-45.1	175.5	0	0	0	0	0	111.7	I279 L280 L281 L285 I286 M287 F306	I279-A283 WeakPolarHBondContact O-CB 3.48Å; I279-A283 PolarHBondContact O-N 3.04Å; L280-A283 PolarHBondContact O-N 2.9Å; L281-A283 VanDerWaalsContact C-N 3.33Å; L281-A283 PolarHBondContact O-N 3.37Å; A283-L285 PolarHBondContact O-N 3.12Å; A283-I286 PolarHBondContact O-N 2.93Å; A283-M287 VanDerWaalsContact O-CB 3.23Å; A283-M287 WeakPolarHBondContact O-CB 3.09Å; A283-M287 WeakPolarHBondContact O-CG 3.44Å; A283-M287 PolarHBondContact O-N 3.01Å; A283-F306 HydrophobicContact CB-CZ 4.39Å
284	N	88.3	Confident	88	Confident	4 Å²	4	30.5 Å²	30.5	2%	0.021	16%	0.164	C	C	.	.	H	α-helix	trans	-64.5	-39.5	176.3	-82.1	-76.4	0	0	0	113	L280 L281 M282 I286 L288 S310	L280-N284 PolarHBondContact O-N 3.42Å; L280-N284 PolarHBondContact O-ND2 3.41Å; L281-N284 PolarHBondContact O-N 3.25Å; M282-N284 PolarHBondContact O-N 3.07Å; N284-I286 PolarHBondContact O-N 3.21Å; N284-L288 HydrophobicContact CB-CD1 3.9Å; N284-L288 HydrophobicContact CB-CG 4.3Å; N284-L288 WeakPolarHBondContact O-CB 3.49Å; N284-L288 WeakPolarHBondContact O-CD1 3.44Å; N284-L288 WeakPolarHBondContact O-CG 3.5Å; N284-L288 PolarHBondContact O-N 3.37Å; N284-S310 PolarHBondContact ND2-OG 3.01Å; N284-S310 PolarHBondContact OD1-OG 3.37Å
285	L	86.8	Confident	87.9	Confident	4 Å²	4	32.6 Å²	32.6	2%	0.021	17%	0.173	C	C	.	.	H	α-helix	trans	-62.2	-31.6	-177.9	-150.2	75.4	0	0	0	112.8	L281 M282 A283 P289 L404 L407 I436 W440	L281-L285 HydrophobicContact CD2-CD1 4.34Å; L281-L285 WeakPolarHBondContact O-CB 3.18Å; L281-L285 PolarHBondContact O-N 3.43Å; M282-L285 WeakPolarHBondContact O-CB 3.48Å; M282-L285 PolarHBondContact O-N 3.01Å; A283-L285 PolarHBondContact O-N 3.12Å; L285-P289 VanDerWaalsContact O-CD 3.32Å; L285-P289 WeakPolarHBondContact O-CD 3.46Å; L285-P289 WeakPolarHBondContact O-CG 3.34Å; L285-L404 HydrophobicContact CD1-CD1 4.16Å; L285-L404 HydrophobicContact CD2-CD1 4.14Å; L285-L407 HydrophobicContact CD2-CD2 4.19Å; L285-I436 HydrophobicContact CD2-CB 4.33Å; L285-I436 HydrophobicContact CD2-CD1 3.56Å; L285-I436 HydrophobicContact CD2-CG1 3.91Å; L285-I436 HydrophobicContact CD2-CG2 3.46Å; L285-I436 VanDerWaalsContact CD2-CG2 3.46Å; L285-I436 HydrophobicContact CG-CG2 4.03Å; L285-W440 HydrophobicContact CD1-CH2 4Å; L285-W440 HydrophobicContact CD1-CZ2 3.28Å; L285-W440 HydrophobicContact CD2-CZ2 4.42Å; L285-W440 HydrophobicContact CG-CZ2 3.61Å; L285-W440 PolarHBondContact O-NE1 2.88Å
286	I	89.3	Confident	87	Confident	78 Å²	78	33.9 Å²	33.9	40%	0.4	18%	0.178	S	C	.	.	H	α-helix	trans	-91	-46.3	179.4	-62	169.3	0	0	0	110.7	M282 A283 N284 V290 H439	M282-I286 HydrophobicContact CG-CD1 4.17Å; M282-I286 WeakPolarHBondContact O-CG1 3.46Å; M282-I286 PolarHBondContact O-N 3.25Å; M282-I286 HydrophobicContact SD-CD1 4.29Å; A283-I286 PolarHBondContact O-N 2.93Å; N284-I286 PolarHBondContact O-N 3.21Å; I286-V290 WeakPolarHBondContact O-CG2 3.41Å; I286-H439 PolarHBondContact O-NE2 3.43Å
287	M	88.9	Confident	85.7	Confident	86 Å²	86	36.4 Å²	36.4	42%	0.424	19%	0.192	S	C	.	.	H	α-helix	trans	-75	-42.2	-172.9	-65.5	-66.9	-66.9	0	0	112.6	A283 V290 I291 W303	A283-M287 VanDerWaalsContact O-CB 3.23Å; A283-M287 WeakPolarHBondContact O-CB 3.09Å; A283-M287 WeakPolarHBondContact O-CG 3.44Å; A283-M287 PolarHBondContact O-N 3.01Å; M287-V290 PolarHBondContact O-N 3.17Å; M287-I291 WeakPolarHBondContact O-CG1 3.35Å; M287-I291 PolarHBondContact O-N 2.84Å; M287-W303 HydrophobicContact CB-CH2 4.05Å; M287-W303 HydrophobicContact CB-CZ3 3.88Å; M287-W303 HydrophobicContact CE-CZ3 4.41Å
288	L	86.6	Confident	84.4	Confident	4 Å²	4	42.8 Å²	42.8	2%	0.021	23%	0.227	C	C	.	.	H	α-helix	trans	-58.4	-50.6	-174.1	-68.4	169.4	0	0	0	112.7	N284 V290 I291 I292 W303 R400	N284-L288 HydrophobicContact CB-CD1 3.9Å; N284-L288 HydrophobicContact CB-CG 4.3Å; N284-L288 WeakPolarHBondContact O-CB 3.49Å; N284-L288 WeakPolarHBondContact O-CD1 3.44Å; N284-L288 WeakPolarHBondContact O-CG 3.5Å; N284-L288 PolarHBondContact O-N 3.37Å; L288-V290 VanDerWaalsContact C-N 3.31Å; L288-V290 PolarHBondContact O-N 2.94Å; L288-I291 PolarHBondContact O-N 3.42Å; L288-I292 HydrophobicContact CB-CD1 4.46Å; L288-I292 WeakPolarHBondContact O-CB 3.48Å; L288-I292 WeakPolarHBondContact O-CD1 3.33Å; L288-I292 WeakPolarHBondContact O-CG1 3.49Å; L288-I292 PolarHBondContact O-N 2.81Å; L288-W303 HydrophobicContact CD2-CH2 3.79Å; L288-W303 HydrophobicContact CD2-CZ2 3.7Å; L288-W303 HydrophobicContact CG-CH2 4.38Å; L288-R400 HydrophobicContact CD1-CB 3.74Å
289	P	89.1	Confident	83.5	Confident	7 Å²	7	45.9 Å²	45.9	5%	0.045	24%	0.243	C	C	.	.	H	α-helix	trans	-61.8	-37.7	-179.9	-23.3	35.9	0	0	0	113.1	L285 S293 L401 C443	L285-P289 VanDerWaalsContact O-CD 3.32Å; L285-P289 WeakPolarHBondContact O-CD 3.46Å; L285-P289 WeakPolarHBondContact O-CG 3.34Å; P289-S293 VanDerWaalsContact O-CB 3.31Å; P289-S293 WeakPolarHBondContact O-CB 3.44Å; P289-S293 PolarHBondContact O-N 3.31Å; P289-S293 PolarHBondContact O-OG 3.17Å; P289-L401 HydrophobicContact CG-CD2 4.05Å; P289-C443 HydrophobicContact CB-CB 3.67Å; P289-C443 VanDerWaalsContact CB-SG 3.59Å
290	V	90.4	Very high	82.8	Confident	16 Å²	16	43.6 Å²	43.6	10%	0.097	24%	0.236	C	C	.	.	H	α-helix	trans	-62.9	-51.5	177.7	178.1	0	0	0	0	110.5	I286 M287 L288 I292 S293 F294 F295 H439 W470 Y474	I286-V290 WeakPolarHBondContact O-CG2 3.41Å; M287-V290 PolarHBondContact O-N 3.17Å; L288-V290 VanDerWaalsContact C-N 3.31Å; L288-V290 PolarHBondContact O-N 2.94Å; V290-I292 VanDerWaalsContact C-N 3.34Å; V290-I292 PolarHBondContact O-N 3.43Å; V290-S293 PolarHBondContact O-N 3.11Å; V290-S293 PolarHBondContact O-OG 3.26Å; V290-F294 HydrophobicContact CG1-CD2 4Å; V290-F294 WeakPolarHBondContact O-CD2 3.46Å; V290-F294 PolarHBondContact O-N 3.14Å; V290-F295 HydrophobicContact CG1-CE2 4.29Å; V290-H439 WeakPolarHBondContact CG2-CE1 3.45Å; V290-W470 HydrophobicContact CG1-CE3 4.14Å; V290-W470 HydrophobicContact CG1-CZ3 3.94Å; V290-Y474 HydrophobicContact CG2-CE2 4.46Å
291	I	87.1	Confident	82.3	Confident	17 Å²	17	45 Å²	45	9%	0.087	26%	0.255	C	S	.	.	H	α-helix	trans	-63.4	-43.2	-178.4	-59.9	-54.9	0	0	0	110.8	M287 L288 S293 F295 L299 W303	M287-I291 WeakPolarHBondContact O-CG1 3.35Å; M287-I291 PolarHBondContact O-N 2.84Å; L288-I291 PolarHBondContact O-N 3.42Å; I291-S293 VanDerWaalsContact C-N 3.32Å; I291-S293 PolarHBondContact O-N 2.88Å; I291-F295 HydrophobicContact CD1-CD2 3.6Å; I291-F295 HydrophobicContact CD1-CE2 3.56Å; I291-F295 HydrophobicContact CD1-CG 4.17Å; I291-F295 HydrophobicContact CD1-CZ 4.1Å; I291-F295 HydrophobicContact CG2-CB 4.3Å; I291-F295 WeakPolarHBondContact O-CB 3.46Å; I291-F295 PolarHBondContact O-N 2.89Å; I291-L299 HydrophobicContact CG2-CD2 3.67Å; I291-W303 HydrophobicContact CB-CH2 4.13Å; I291-W303 HydrophobicContact CB-CZ2 3.8Å; I291-W303 HydrophobicContact CG1-CD2 4.11Å; I291-W303 HydrophobicContact CG1-CE3 3.99Å; I291-W303 HydrophobicContact CG1-CH2 3.7Å; I291-W303 HydrophobicContact CG1-CZ2 3.82Å; I291-W303 HydrophobicContact CG1-CZ3 3.81Å; I291-W303 HydrophobicContact CG2-CD2 4.22Å; I291-W303 HydrophobicContact CG2-CZ2 3.91Å
292	I	84.1	Confident	82.1	Confident	12 Å²	12	51 Å²	51	6%	0.062	29%	0.287	C	S	.	.	H	α-helix	trans	-62.3	-40.4	-179.9	-67.8	165.2	0	0	0	111.7	L288 V290 K394 S397 L398 L447 M450	L288-I292 HydrophobicContact CB-CD1 4.46Å; L288-I292 WeakPolarHBondContact O-CB 3.48Å; L288-I292 WeakPolarHBondContact O-CD1 3.33Å; L288-I292 WeakPolarHBondContact O-CG1 3.49Å; L288-I292 PolarHBondContact O-N 2.81Å; V290-I292 VanDerWaalsContact C-N 3.34Å; V290-I292 PolarHBondContact O-N 3.43Å; I292-K394 HydrophobicContact CG2-CB 4.26Å; I292-K394 PolarHBondContact O-NZ 3.01Å; I292-S397 WeakPolarHBondContact CD1-OG 3.49Å; I292-S397 WeakPolarHBondContact CG1-OG 3.32Å; I292-L398 HydrophobicContact CD1-CD2 3.68Å; I292-L398 HydrophobicContact CD1-CG 4.23Å; I292-L398 HydrophobicContact CG2-CD2 4.34Å; I292-L447 HydrophobicContact CG2-CD1 4.2Å; I292-M450 WeakPolarHBondContact O-CE 3.33Å
293	S	87.4	Confident	82	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.007	28%	0.282	C	S	.	.	H	α-helix	trans	-84.4	-42.1	-173.4	54.5	0	0	0	0	114.1	P289 V290 I291 F446 M450	P289-S293 VanDerWaalsContact O-CB 3.31Å; P289-S293 WeakPolarHBondContact O-CB 3.44Å; P289-S293 PolarHBondContact O-N 3.31Å; P289-S293 PolarHBondContact O-OG 3.17Å; V290-S293 PolarHBondContact O-N 3.11Å; V290-S293 PolarHBondContact O-OG 3.26Å; I291-S293 VanDerWaalsContact C-N 3.32Å; I291-S293 PolarHBondContact O-N 2.88Å; S293-F446 WeakPolarHBondContact O-CD1 3.24Å; S293-F446 WeakPolarHBondContact O-CE1 3.47Å; S293-M450 WeakPolarHBondContact O-CE 3.49Å
294	F	88.2	Confident	81.6	Confident	15 Å²	15	52.8 Å²	52.8	7%	0.066	29%	0.29	C	S	.	.	H	α-helix	trans	-102.5	-20	-170.6	-60.3	-78.2	0	0	0	114.6	V290 F446 W470 Q473 Y474 A477	V290-F294 HydrophobicContact CG1-CD2 4Å; V290-F294 WeakPolarHBondContact O-CD2 3.46Å; V290-F294 PolarHBondContact O-N 3.14Å; F294-F446 AromaticContact CD1-CD1 3.47Å; F294-F446 HydrophobicContact CD1-CD1 3.47Å; F294-F446 VanDerWaalsContact CD1-CD1 3.47Å; F294-F446 HydrophobicContact CD1-CD2 4.25Å; F294-F446 AromaticContact CD1-CE1 3.48Å; F294-F446 HydrophobicContact CD1-CE1 3.48Å; F294-F446 VanDerWaalsContact CD1-CE1 3.48Å; F294-F446 HydrophobicContact CD1-CE2 4.26Å; F294-F446 AromaticContact CD1-CG 3.88Å; F294-F446 HydrophobicContact CD1-CG 3.88Å; F294-F446 AromaticContact CD1-CZ 3.89Å; F294-F446 HydrophobicContact CD1-CZ 3.89Å; F294-F446 HydrophobicContact CE1-CB 3.77Å; F294-F446 AromaticContact CE1-CD1 3.4Å; F294-F446 HydrophobicContact CE1-CD1 3.4Å; F294-F446 VanDerWaalsContact CE1-CD1 3.4Å; F294-F446 AromaticContact CE1-CD2 3.65Å; F294-F446 HydrophobicContact CE1-CD2 3.65Å; F294-F446 AromaticContact CE1-CE1 3.83Å; F294-F446 HydrophobicContact CE1-CE1 3.83Å; F294-F446 HydrophobicContact CE1-CE2 4.05Å; F294-F446 AromaticContact CE1-CG 3.29Å; F294-F446 HydrophobicContact CE1-CG 3.29Å; F294-F446 HydrophobicContact CE1-CZ 4.13Å; F294-F446 HydrophobicContact CG-CD1 4.24Å; F294-F446 HydrophobicContact CG-CE1 4.31Å; F294-F446 HydrophobicContact CZ-CB 3.84Å; F294-F446 HydrophobicContact CZ-CD1 4.11Å; F294-F446 AromaticContact CZ-CG 3.91Å; F294-F446 HydrophobicContact CZ-CG 3.91Å; F294-W470 HydrophobicContact CB-CB 4.1Å; F294-Q473 HydrophobicContact CD1-CB 3.7Å; F294-Q473 HydrophobicContact CE1-CB 3.66Å; F294-Y474 AromaticContact CE2-CD2 3.63Å; F294-Y474 HydrophobicContact CE2-CD2 3.63Å; F294-Y474 HydrophobicContact CE2-CG 4.22Å; F294-Y474 VanDerWaalsContact CZ-CA 3.44Å; F294-Y474 AromaticContact CZ-CD2 3.91Å; F294-Y474 HydrophobicContact CZ-CD2 3.91Å; F294-Y474 HydrophobicContact CZ-CG 4.35Å; F294-A477 HydrophobicContact CZ-CB 4.22Å
295	F	83.6	Confident	81.6	Confident	47 Å²	47	57.4 Å²	57.4	21%	0.206	31%	0.313	C	S	.	.			trans	-103.7	110.8	-177.9	-66.3	-104.4	0	0	0	110	V290 I291 K394 W470	V290-F295 HydrophobicContact CG1-CE2 4.29Å; I291-F295 HydrophobicContact CD1-CD2 3.6Å; I291-F295 HydrophobicContact CD1-CE2 3.56Å; I291-F295 HydrophobicContact CD1-CG 4.17Å; I291-F295 HydrophobicContact CD1-CZ 4.1Å; I291-F295 HydrophobicContact CG2-CB 4.3Å; I291-F295 WeakPolarHBondContact O-CB 3.46Å; I291-F295 PolarHBondContact O-N 2.89Å; F295-K394 PolarHBondContact O-NZ 3.4Å; F295-W470 HydrophobicContact CE2-CD2 4.11Å; F295-W470 HydrophobicContact CE2-CE3 4.34Å; F295-W470 HydrophobicContact CE2-CG 4.19Å; F295-W470 AromaticContact CZ-CD1 3.98Å; F295-W470 AromaticContact CZ-CD2 4Å; F295-W470 HydrophobicContact CZ-CD2 4Å; F295-W470 AromaticContact CZ-CG 3.96Å; F295-W470 HydrophobicContact CZ-CG 3.96Å
296	N	68.1	Low	81.6	Confident	66 Å²	66	60.4 Å²	60.4	35%	0.353	33%	0.327	S	S	.	.	S	Bend	trans	-94.9	-47.8	-177.5	-79.8	-19.2	0	0	0	113.7	K394 M450	N296-K394 PolarHBondContact OD1-NZ 3.21Å; N296-M450 PolarHBondContact OD1-SD 3.34Å
297	D	63.4	Low	81.5	Confident	146 Å²	146	56.8 Å²	56.8	78%	0.781	31%	0.308	S	S	*	.	S	Bend	trans	-125.1	-19.9	-167.5	-59.2	-51.8	0	0	0	114.3
298	D	61.9	Low	81.3	Confident	135 Å²	135	55 Å²	55	72%	0.722	30%	0.304	S	S	*	.			trans	-108.5	78.8	-179.5	-62.3	-42.1	0	0	0	111.2	P300	D298-P300 WeakPolarHBondContact O-CD 3.38Å
299	L	68.4	Low	81.5	Confident	109 Å²	109	59.3 Å²	59.3	57%	0.571	33%	0.326	S	S	*	.			trans	-79.9	107.7	166.4	-75.3	157.5	0	0	0	108	I291 G301 W303	I291-L299 HydrophobicContact CG2-CD2 3.67Å; L299-G301 PolarHBondContact O-N 2.97Å; L299-W303 VanDerWaalsContact CD2-CD1 3.45Å; L299-W303 HydrophobicContact CD2-CG 4.33Å
300	P	74.2	Confident	81.6	Confident	68 Å²	68	59 Å²	59	44%	0.442	32%	0.324	S	S	.	.			trans	-61.6	141.4	178.9	25	-32.6	0	0	0	109.6	D298 N302 W303	D298-P300 WeakPolarHBondContact O-CD 3.38Å; P300-N302 PolarHBondContact O-N 3.4Å; P300-W303 HydrophobicContact CG-CB 3.95Å; P300-W303 VanDerWaalsContact O-CB 3.28Å; P300-W303 WeakPolarHBondContact O-CB 3.42Å; P300-W303 PolarHBondContact O-N 3.5Å
301	G	79.6	Confident	81.5	Confident	50 Å²	50	58.5 Å²	58.5	52%	0.515	32%	0.321	S	S	.	.	H	α-helix	trans	-53.9	-30.3	177.9	0	0	0	0	0	113.2	L299 W303 L304 I305	L299-G301 PolarHBondContact O-N 2.97Å; G301-W303 VanDerWaalsContact C-N 3.27Å; G301-W303 PolarHBondContact O-N 3.47Å; G301-L304 WeakPolarHBondContact O-CB 3.3Å; G301-L304 PolarHBondContact O-N 3.15Å; G301-I305 WeakPolarHBondContact O-CG1 3.41Å; G301-I305 PolarHBondContact O-N 3.17Å; G301-I305 VanDerWaalsContact O-N 3.13Å
302	N	84.4	Confident	81.7	Confident	128 Å²	128	61.6 Å²	61.6	68%	0.684	34%	0.34	S	S	*	.	H	α-helix	trans	-60.3	-34.7	174.4	-62.5	-4.4	0	0	0	112.9	P300 I305 F306	P300-N302 PolarHBondContact O-N 3.4Å; N302-I305 PolarHBondContact O-N 3.07Å; N302-F306 WeakPolarHBondContact O-CB 3.43Å; N302-F306 PolarHBondContact O-N 3.47Å
303	W	83.1	Confident	82.1	Confident	28 Å²	28	63.1 Å²	63.1	11%	0.106	35%	0.349	C	S	.	.	H	α-helix	trans	-67.6	-42.8	176.4	172.8	-105.7	0	0	0	111.7	M287 L288 I291 L299 P300 G301 I305 F306 N307	M287-W303 HydrophobicContact CB-CH2 4.05Å; M287-W303 HydrophobicContact CB-CZ3 3.88Å; M287-W303 HydrophobicContact CE-CZ3 4.41Å; L288-W303 HydrophobicContact CD2-CH2 3.79Å; L288-W303 HydrophobicContact CD2-CZ2 3.7Å; L288-W303 HydrophobicContact CG-CH2 4.38Å; I291-W303 HydrophobicContact CB-CH2 4.13Å; I291-W303 HydrophobicContact CB-CZ2 3.8Å; I291-W303 HydrophobicContact CG1-CD2 4.11Å; I291-W303 HydrophobicContact CG1-CE3 3.99Å; I291-W303 HydrophobicContact CG1-CH2 3.7Å; I291-W303 HydrophobicContact CG1-CZ2 3.82Å; I291-W303 HydrophobicContact CG1-CZ3 3.81Å; I291-W303 HydrophobicContact CG2-CD2 4.22Å; I291-W303 HydrophobicContact CG2-CZ2 3.91Å; L299-W303 VanDerWaalsContact CD2-CD1 3.45Å; L299-W303 HydrophobicContact CD2-CG 4.33Å; P300-W303 HydrophobicContact CG-CB 3.95Å; P300-W303 VanDerWaalsContact O-CB 3.28Å; P300-W303 WeakPolarHBondContact O-CB 3.42Å; P300-W303 PolarHBondContact O-N 3.5Å; G301-W303 VanDerWaalsContact C-N 3.27Å; G301-W303 PolarHBondContact O-N 3.47Å; W303-I305 VanDerWaalsContact C-N 3.29Å; W303-I305 PolarHBondContact O-N 3.49Å; W303-F306 AromaticContact CE3-CD1 3.97Å; W303-F306 HydrophobicContact CE3-CD1 3.97Å; W303-F306 AromaticContact CZ3-CD1 3.74Å; W303-F306 HydrophobicContact CZ3-CD1 3.74Å; W303-F306 HydrophobicContact CZ3-CE1 4.02Å; W303-F306 PolarHBondContact O-N 2.9Å; W303-N307 VanDerWaalsContact O-CB 3.25Å; W303-N307 WeakPolarHBondContact O-CB 3.36Å; W303-N307 PolarHBondContact O-N 3.48Å
304	L	81.5	Confident	82.3	Confident	87 Å²	87	63.1 Å²	63.1	46%	0.455	35%	0.348	S	S	.	.	H	α-helix	trans	-59.2	-42.6	175.9	175.7	57.8	0	0	0	111	G301 S308 Y363	G301-L304 WeakPolarHBondContact O-CB 3.3Å; G301-L304 PolarHBondContact O-N 3.15Å; L304-S308 VanDerWaalsContact O-CB 3.32Å; L304-S308 WeakPolarHBondContact O-CB 3.45Å; L304-S308 PolarHBondContact O-N 3.07Å; L304-S308 PolarHBondContact O-OG 3.15Å; L304-Y363 HydrophobicContact CD1-CD1 4.27Å; L304-Y363 HydrophobicContact CD1-CE1 3.32Å; L304-Y363 HydrophobicContact CD1-CE2 4.18Å; L304-Y363 WeakPolarHBondContact CD1-OH 3.47Å
305	I	87.2	Confident	82.4	Confident	101 Å²	101	66.1 Å²	66.1	52%	0.518	36%	0.364	S	S	.	.	H	α-helix	trans	-62.7	-51.3	175.7	-64.2	167.1	0	0	0	110.6	G301 N302 W303 N307 S308 I309	G301-I305 WeakPolarHBondContact O-CG1 3.41Å; G301-I305 PolarHBondContact O-N 3.17Å; G301-I305 VanDerWaalsContact O-N 3.13Å; N302-I305 PolarHBondContact O-N 3.07Å; W303-I305 VanDerWaalsContact C-N 3.29Å; W303-I305 PolarHBondContact O-N 3.49Å; I305-N307 VanDerWaalsContact C-N 3.32Å; I305-N307 PolarHBondContact O-N 3.35Å; I305-S308 PolarHBondContact O-N 3.48Å; I305-I309 HydrophobicContact CG2-CD1 3.74Å; I305-I309 HydrophobicContact CG2-CG1 4.41Å; I305-I309 WeakPolarHBondContact O-CG1 3.29Å; I305-I309 PolarHBondContact O-N 3.3Å
306	F	88.3	Confident	82.9	Confident	68 Å²	68	67.3 Å²	67.3	30%	0.298	37%	0.373	S	S	.	.	H	α-helix	trans	-56.8	-46.7	178.6	173.4	-98.2	0	0	0	111.9	L280 A283 N302 W303 S308 I309 S310	L280-F306 HydrophobicContact CD1-CZ 4.49Å; A283-F306 HydrophobicContact CB-CZ 4.39Å; N302-F306 WeakPolarHBondContact O-CB 3.43Å; N302-F306 PolarHBondContact O-N 3.47Å; W303-F306 AromaticContact CE3-CD1 3.97Å; W303-F306 HydrophobicContact CE3-CD1 3.97Å; W303-F306 AromaticContact CZ3-CD1 3.74Å; W303-F306 HydrophobicContact CZ3-CD1 3.74Å; W303-F306 HydrophobicContact CZ3-CE1 4.02Å; W303-F306 PolarHBondContact O-N 2.9Å; F306-S308 VanDerWaalsContact C-N 3.35Å; F306-S308 PolarHBondContact O-N 3.4Å; F306-I309 PolarHBondContact O-N 3.37Å; F306-S310 WeakPolarHBondContact O-CB 3.33Å; F306-S310 PolarHBondContact O-N 2.95Å
307	N	85.5	Confident	84	Confident	2 Å²	2	64.2 Å²	64.2	1%	0.011	36%	0.356	C	S	.	.	H	α-helix	trans	-64.6	-41	-179.2	-160.4	35.6	0	0	0	111.3	W303 I305 S310 D311 Y363 R400	W303-N307 VanDerWaalsContact O-CB 3.25Å; W303-N307 WeakPolarHBondContact O-CB 3.36Å; W303-N307 PolarHBondContact O-N 3.48Å; I305-N307 VanDerWaalsContact C-N 3.32Å; I305-N307 PolarHBondContact O-N 3.35Å; N307-S310 PolarHBondContact O-N 3.34Å; N307-D311 WeakPolarHBondContact O-CB 3.49Å; N307-D311 PolarHBondContact O-N 3.34Å; N307-Y363 WeakPolarHBondContact CB-OH 3.26Å; N307-Y363 PolarHBondContact ND2-OH 3.07Å; N307-R400 PolarHBondContact ND2-NH1 3.49Å; N307-R400 PolarHBondContact ND2-NH2 2.89Å; N307-R400 PolarHBondContact OD1-NH1 2.87Å
308	S	86	Confident	85.3	Confident	48 Å²	48	58.2 Å²	58.2	34%	0.336	32%	0.324	S	S	.	.	H	α-helix	trans	-65.3	-43.2	176.8	-57.8	0	0	0	0	112.5	L304 I305 F306 S310 D311 T312	L304-S308 VanDerWaalsContact O-CB 3.32Å; L304-S308 WeakPolarHBondContact O-CB 3.45Å; L304-S308 PolarHBondContact O-N 3.07Å; L304-S308 PolarHBondContact O-OG 3.15Å; I305-S308 PolarHBondContact O-N 3.48Å; F306-S308 VanDerWaalsContact C-N 3.35Å; F306-S308 PolarHBondContact O-N 3.4Å; S308-S310 VanDerWaalsContact C-N 3.34Å; S308-D311 PolarHBondContact O-N 3.16Å; S308-T312 WeakPolarHBondContact O-CB 3.17Å; S308-T312 PolarHBondContact O-N 2.9Å; S308-T312 PolarHBondContact O-OG1 3.36Å
309	I	90.5	Very high	86.8	Confident	95 Å²	95	56.5 Å²	56.5	49%	0.487	31%	0.313	S	S	.	.	H	α-helix	trans	-62	-46.6	174.6	-68.6	169.1	0	0	0	109.7	I305 F306 D311 T312 L313	I305-I309 HydrophobicContact CG2-CD1 3.74Å; I305-I309 HydrophobicContact CG2-CG1 4.41Å; I305-I309 WeakPolarHBondContact O-CG1 3.29Å; I305-I309 PolarHBondContact O-N 3.3Å; F306-I309 PolarHBondContact O-N 3.37Å; I309-D311 PolarHBondContact O-N 3.18Å; I309-T312 PolarHBondContact O-N 3.49Å; I309-L313 HydrophobicContact CG2-CD1 4.09Å; I309-L313 WeakPolarHBondContact O-CG 3.44Å; I309-L313 PolarHBondContact O-N 3.22Å
310	S	90.3	Very high	87.9	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-59.6	-47.7	179.8	-175.7	0	0	0	0	111.9	N284 F306 N307 S308 T312 L313 F314	N284-S310 PolarHBondContact ND2-OG 3.01Å; N284-S310 PolarHBondContact OD1-OG 3.37Å; F306-S310 WeakPolarHBondContact O-CB 3.33Å; F306-S310 PolarHBondContact O-N 2.95Å; N307-S310 PolarHBondContact O-N 3.34Å; S308-S310 VanDerWaalsContact C-N 3.34Å; S310-T312 VanDerWaalsContact C-N 3.32Å; S310-T312 PolarHBondContact O-N 3.49Å; S310-L313 PolarHBondContact O-N 3.47Å; S310-F314 WeakPolarHBondContact O-CD2 3.17Å; S310-F314 PolarHBondContact O-N 3.39Å; S310-F314 VanDerWaalsContact OG-CE2 3.25Å; S310-F314 WeakPolarHBondContact OG-CE2 3.19Å
311	D	89.1	Confident	88.7	Confident	6 Å²	6	49.5 Å²	49.5	3%	0.032	27%	0.273	C	S	.	.	H	α-helix	trans	-63.8	-40	-179.7	-67.8	-22.2	0	0	0	111.6	N307 S308 I309 L313 F314 I315 P360 R400 R403	N307-D311 WeakPolarHBondContact O-CB 3.49Å; N307-D311 PolarHBondContact O-N 3.34Å; S308-D311 PolarHBondContact O-N 3.16Å; I309-D311 PolarHBondContact O-N 3.18Å; D311-L313 VanDerWaalsContact C-N 3.34Å; D311-L313 PolarHBondContact O-N 3.35Å; D311-F314 PolarHBondContact O-N 2.9Å; D311-I315 VanDerWaalsContact O-CG1 3.31Å; D311-I315 WeakPolarHBondContact O-CG1 3.3Å; D311-I315 PolarHBondContact O-N 3.32Å; D311-P360 WeakPolarHBondContact OD2-CB 3.49Å; D311-R400 IonicContact OD1-CZ 2.88Å; D311-R400 IonicContact OD1-NH1 2.67Å; D311-R400 PolarHBondContact OD1-NH1 3.3Å; D311-R400 IonicContact OD2-CZ 3.65Å; D311-R400 VanDerWaalsContact OD2-CZ 3.27Å; D311-R400 IonicContact OD2-NH1 3.22Å; D311-R400 PolarHBondContact OD2-NH1 2.94Å; D311-R400 IonicContact OD2-NH2 3.29Å; D311-R400 PolarHBondContact OD2-NH2 3.49Å; D311-R403 IonicContact OD1-CZ 3.6Å; D311-R403 IonicContact OD1-NH1 3.16Å; D311-R403 IonicContact OD1-NH2 3.77Å; D311-R403 PolarHBondContact OD1-NH2 2.74Å
312	T	91.2	Very high	89.2	Confident	81 Å²	81	49.7 Å²	49.7	50%	0.497	26%	0.26	S	S	.	.	H	α-helix	trans	-59.2	-45.1	174.8	-55.8	0	0	0	0	111.3	S308 I309 S310 F314 I315 L316	S308-T312 WeakPolarHBondContact O-CB 3.17Å; S308-T312 PolarHBondContact O-N 2.9Å; S308-T312 PolarHBondContact O-OG1 3.36Å; I309-T312 PolarHBondContact O-N 3.49Å; S310-T312 VanDerWaalsContact C-N 3.32Å; S310-T312 PolarHBondContact O-N 3.49Å; T312-F314 PolarHBondContact O-N 3.13Å; T312-I315 PolarHBondContact O-N 2.89Å; T312-L316 HydrophobicContact CG2-CD1 4.35Å; T312-L316 WeakPolarHBondContact O-CG 3.25Å; T312-L316 PolarHBondContact O-N 3.48Å
313	L	92.4	Very high	89.5	Confident	45 Å²	45	48.7 Å²	48.7	24%	0.236	25%	0.247	C	C	.	.	H	α-helix	trans	-65	-38.3	177.3	-70.6	172.6	0	0	0	112.4	L280 I309 S310 D311 I315 L316 D317	L280-L313 HydrophobicContact CD2-CB 3.7Å; L280-L313 HydrophobicContact CD2-CD1 3.66Å; L280-L313 HydrophobicContact CD2-CG 4.33Å; I309-L313 HydrophobicContact CG2-CD1 4.09Å; I309-L313 WeakPolarHBondContact O-CG 3.44Å; I309-L313 PolarHBondContact O-N 3.22Å; S310-L313 PolarHBondContact O-N 3.47Å; D311-L313 VanDerWaalsContact C-N 3.34Å; D311-L313 PolarHBondContact O-N 3.35Å; L313-I315 VanDerWaalsContact C-N 3.34Å; L313-I315 PolarHBondContact O-N 3.49Å; L313-L316 HydrophobicContact CD2-CD1 4.3Å; L313-L316 PolarHBondContact O-N 3.09Å; L313-D317 PolarHBondContact O-N 3.37Å
314	F	90.6	Very high	89.8	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-70.6	-27.9	175.8	-76.9	-66	0	0	0	113.8	M277 L280 L281 S310 D311 T312 I318 S358 R406	M277-F314 HydrophobicContact CE-CD1 3.27Å; M277-F314 HydrophobicContact CE-CE1 3.36Å; M277-F314 HydrophobicContact CE-CG 4.06Å; M277-F314 HydrophobicContact CE-CZ 4.19Å; L280-F314 HydrophobicContact CD2-CD2 4.34Å; L280-F314 HydrophobicContact CD2-CE2 3.87Å; L280-F314 HydrophobicContact CD2-CZ 4.13Å; L280-F314 HydrophobicContact CG-CE2 4.04Å; L280-F314 HydrophobicContact CG-CZ 4.19Å; L281-F314 HydrophobicContact CB-CZ 4.19Å; S310-F314 WeakPolarHBondContact O-CD2 3.17Å; S310-F314 PolarHBondContact O-N 3.39Å; S310-F314 VanDerWaalsContact OG-CE2 3.25Å; S310-F314 WeakPolarHBondContact OG-CE2 3.19Å; D311-F314 PolarHBondContact O-N 2.9Å; T312-F314 PolarHBondContact O-N 3.13Å; F314-I318 PolarHBondContact O-N 3.04Å; F314-S358 PolarHBondContact O-OG 3.09Å; F314-S358 VanDerWaalsContact O-OG 3.06Å; F314-R406 PolarHBondContact O-NH1 3.35Å
315	I	91.3	Very high	90.1	Very high	78 Å²	78	44 Å²	44	40%	0.4	23%	0.226	S	C	.	.	H	α-helix	trans	-71.2	-44.7	170.3	-68.2	166.1	0	0	0	109.9	D311 T312 L313 D317 I318 I319	D311-I315 VanDerWaalsContact O-CG1 3.31Å; D311-I315 WeakPolarHBondContact O-CG1 3.3Å; D311-I315 PolarHBondContact O-N 3.32Å; T312-I315 PolarHBondContact O-N 2.89Å; L313-I315 VanDerWaalsContact C-N 3.34Å; L313-I315 PolarHBondContact O-N 3.49Å; I315-D317 PolarHBondContact O-N 3.3Å; I315-I318 WeakPolarHBondContact O-CB 3.13Å; I315-I318 PolarHBondContact O-N 3.01Å; I315-I318 VanDerWaalsContact O-N 3.1Å; I315-I319 PolarHBondContact O-N 3.1Å
316	L	92.9	Very high	90	Very high	73 Å²	73	41.3 Å²	41.3	38%	0.382	21%	0.212	S	C	.	.	H	α-helix	trans	-58.9	-37.2	174.4	-72	171.1	0	0	0	111.8	W273 T312 L313 I318 I319 V320	W273-L316 HydrophobicContact CH2-CB 4.09Å; W273-L316 HydrophobicContact CZ2-CB 4.26Å; T312-L316 HydrophobicContact CG2-CD1 4.35Å; T312-L316 WeakPolarHBondContact O-CG 3.25Å; T312-L316 PolarHBondContact O-N 3.48Å; L313-L316 HydrophobicContact CD2-CD1 4.3Å; L313-L316 PolarHBondContact O-N 3.09Å; L316-I318 VanDerWaalsContact C-N 3.3Å; L316-I318 PolarHBondContact O-N 2.85Å; L316-I319 HydrophobicContact CD2-CD1 4.37Å; L316-I319 WeakPolarHBondContact O-CB 3.45Å; L316-I319 PolarHBondContact O-N 2.79Å; L316-I319 VanDerWaalsContact O-N 3.08Å; L316-V320 WeakPolarHBondContact O-CG2 3.27Å; L316-V320 PolarHBondContact O-N 3.18Å
317	D	92.2	Very high	89.6	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-61.6	-36.1	175.7	-177.7	65.3	0	0	0	112.8	R270 W273 M277 L313 I315 I319 V320 N321 R406 Y410	R270-D317 IonicContact NH1-OD1 3.55Å; W273-D317 HydrophobicContact CZ2-CB 4.26Å; W273-D317 PolarHBondContact NE1-OD1 3.44Å; M277-D317 HydrophobicContact CE-CB 3.66Å; M277-D317 HydrophobicContact SD-CB 4.19Å; L313-D317 PolarHBondContact O-N 3.37Å; I315-D317 PolarHBondContact O-N 3.3Å; D317-I319 VanDerWaalsContact C-N 3.31Å; D317-I319 PolarHBondContact O-N 3.48Å; D317-V320 PolarHBondContact O-N 3.32Å; D317-N321 WeakPolarHBondContact O-CB 3.44Å; D317-N321 PolarHBondContact O-N 3.32Å; D317-N321 PolarHBondContact O-ND2 2.81Å; D317-N321 VanDerWaalsContact O-ND2 3.15Å; D317-N321 PolarHBondContact OD2-ND2 2.98Å; D317-N321 VanDerWaalsContact OD2-ND2 3.09Å; D317-R406 IonicContact OD2-CZ 3.41Å; D317-R406 IonicContact OD2-NH1 2.93Å; D317-R406 PolarHBondContact OD2-NH1 3.2Å; D317-Y410 PolarHBondContact OD1-OH 2.96Å; D317-Y410 PolarHBondContact OD2-OH 3.49Å
318	I	91.4	Very high	88.9	Confident	20 Å²	20	45 Å²	45	10%	0.103	23%	0.228	C	C	.	.	H	α-helix	trans	-61.3	-43.8	173.5	-61.9	173	0	0	0	109.8	F314 I315 L316 N321 F322 Y346 F351 D354 S358	F314-I318 PolarHBondContact O-N 3.04Å; I315-I318 WeakPolarHBondContact O-CB 3.13Å; I315-I318 PolarHBondContact O-N 3.01Å; I315-I318 VanDerWaalsContact O-N 3.1Å; L316-I318 VanDerWaalsContact C-N 3.3Å; L316-I318 PolarHBondContact O-N 2.85Å; I318-N321 PolarHBondContact O-N 2.72Å; I318-F322 HydrophobicContact CG2-CD2 4.05Å; I318-F322 HydrophobicContact CG2-CE2 3.72Å; I318-F322 WeakPolarHBondContact O-CD2 3.34Å; I318-F322 PolarHBondContact O-N 2.83Å; I318-F322 VanDerWaalsContact O-N 3.12Å; I318-Y346 HydrophobicContact CG2-CE1 4.26Å; I318-F351 HydrophobicContact CG2-CD2 4.27Å; I318-F351 HydrophobicContact CG2-CE2 4.09Å; I318-D354 HydrophobicContact CG1-CB 4.33Å; I318-S358 WeakPolarHBondContact CD1-OG 3.37Å
319	I	92.5	Very high	87.8	Confident	99 Å²	99	47.9 Å²	47.9	51%	0.508	24%	0.239	S	C	.	.	H	α-helix	trans	-63.8	-42.9	178.6	-61.1	170.5	0	0	0	110.7	I315 L316 D317 N321 F322	I315-I319 PolarHBondContact O-N 3.1Å; L316-I319 HydrophobicContact CD2-CD1 4.37Å; L316-I319 WeakPolarHBondContact O-CB 3.45Å; L316-I319 PolarHBondContact O-N 2.79Å; L316-I319 VanDerWaalsContact O-N 3.08Å; D317-I319 VanDerWaalsContact C-N 3.31Å; D317-I319 PolarHBondContact O-N 3.48Å; I319-N321 VanDerWaalsContact C-N 3.34Å; I319-F322 PolarHBondContact O-N 3.48Å
320	V	91.8	Very high	86.4	Confident	17 Å²	17	49.4 Å²	49.4	10%	0.103	25%	0.249	C	C	.	.	H	α-helix	trans	-62.4	-41.1	175.1	170.7	0	0	0	0	111	I263 F269 W273 L316 D317 F322 R323 T324	I263-V320 HydrophobicContact CD1-CG1 3.86Å; F269-V320 HydrophobicContact CE1-CG1 4.13Å; W273-V320 HydrophobicContact CH2-CG2 4.44Å; W273-V320 HydrophobicContact CZ2-CG2 3.98Å; L316-V320 WeakPolarHBondContact O-CG2 3.27Å; L316-V320 PolarHBondContact O-N 3.18Å; D317-V320 PolarHBondContact O-N 3.32Å; V320-F322 VanDerWaalsContact C-N 3.33Å; V320-F322 PolarHBondContact O-N 2.84Å; V320-R323 CarbonylContact O-C 3.58Å; V320-R323 WeakPolarHBondContact O-CA 3.41Å; V320-R323 PolarHBondContact O-N 2.85Å; V320-T324 PolarHBondContact O-N 3.37Å; V320-T324 PolarHBondContact O-OG1 3Å
321	N	89.9	Confident	85	Confident	13 Å²	13	56 Å²	56	7%	0.07	28%	0.278	C	S	.	.	H	α-helix	trans	-64.1	-35.4	178.9	-69.2	-28	0	0	0	112.2	R270 D317 I318 I319 R323 T324 Y346	R270-N321 PolarHBondContact NH1-OD1 3.42Å; R270-N321 PolarHBondContact NH2-OD1 2.91Å; D317-N321 WeakPolarHBondContact O-CB 3.44Å; D317-N321 PolarHBondContact O-N 3.32Å; D317-N321 PolarHBondContact O-ND2 2.81Å; D317-N321 VanDerWaalsContact O-ND2 3.15Å; D317-N321 PolarHBondContact OD2-ND2 2.98Å; D317-N321 VanDerWaalsContact OD2-ND2 3.09Å; I318-N321 PolarHBondContact O-N 2.72Å; I319-N321 VanDerWaalsContact C-N 3.34Å; N321-R323 PolarHBondContact O-N 2.88Å; N321-T324 PolarHBondContact O-N 3.46Å; N321-Y346 HydrophobicContact CB-CE1 4.09Å; N321-Y346 HydrophobicContact CB-CE2 3.98Å; N321-Y346 PolarHBondContact ND2-OH 3.22Å
322	F	91.6	Very high	83.6	Confident	55 Å²	55	57.6 Å²	57.6	24%	0.241	29%	0.287	C	S	.	.	H	α-helix	trans	-64.2	-19.2	171.9	-82.8	-70.3	0	0	0	114.1	I318 I319 V320 A343 Y346 L347 F351	I318-F322 HydrophobicContact CG2-CD2 4.05Å; I318-F322 HydrophobicContact CG2-CE2 3.72Å; I318-F322 WeakPolarHBondContact O-CD2 3.34Å; I318-F322 PolarHBondContact O-N 2.83Å; I318-F322 VanDerWaalsContact O-N 3.12Å; I319-F322 PolarHBondContact O-N 3.48Å; V320-F322 VanDerWaalsContact C-N 3.33Å; V320-F322 PolarHBondContact O-N 2.84Å; F322-A343 HydrophobicContact CD1-CB 3.93Å; F322-A343 HydrophobicContact CE1-CB 4.13Å; F322-Y346 HydrophobicContact CD1-CD1 4.02Å; F322-Y346 HydrophobicContact CD2-CD1 4.31Å; F322-Y346 HydrophobicContact CD2-CE1 4.18Å; F322-Y346 AromaticContact CE1-CD1 3.79Å; F322-Y346 HydrophobicContact CE1-CD1 3.79Å; F322-Y346 HydrophobicContact CE1-CE1 4.45Å; F322-Y346 HydrophobicContact CE2-CD1 4.09Å; F322-Y346 AromaticContact CE2-CE1 3.92Å; F322-Y346 HydrophobicContact CE2-CE1 3.92Å; F322-Y346 HydrophobicContact CG-CD1 4.27Å; F322-Y346 AromaticContact CZ-CD1 3.82Å; F322-Y346 HydrophobicContact CZ-CD1 3.82Å; F322-Y346 HydrophobicContact CZ-CE1 4.06Å; F322-L347 HydrophobicContact CE1-CD2 4.26Å; F322-L347 HydrophobicContact CE1-CG 4.12Å; F322-L347 HydrophobicContact CZ-CD2 4.03Å; F322-L347 HydrophobicContact CZ-CG 4.39Å; F322-F351 AromaticContact CE2-CD2 3.87Å; F322-F351 HydrophobicContact CE2-CD2 3.87Å; F322-F351 AromaticContact CE2-CE2 3.76Å; F322-F351 HydrophobicContact CE2-CE2 3.76Å; F322-F351 AromaticContact CZ-CD2 3.63Å; F322-F351 HydrophobicContact CZ-CD2 3.63Å; F322-F351 AromaticContact CZ-CE2 3.7Å; F322-F351 HydrophobicContact CZ-CE2 3.7Å; F322-F351 HydrophobicContact CZ-CG 4.5Å
323	R	91	Very high	82.2	Confident	107 Å²	107	58.9 Å²	58.9	40%	0.404	29%	0.291	S	S	.	.	H	α-helix	trans	-108.2	-0.4	179.2	-63.4	-65.1	179.7	162.3	-4.5	113.3	K260 I262 I263 V320 N321	K260-R323 PolarHBondContact O-NH1 2.9Å; I262-R323 VanDerWaalsContact CD1-O 3.24Å; I262-R323 WeakPolarHBondContact CD1-O 3.22Å; I262-R323 WeakPolarHBondContact CG1-O 3.24Å; I263-R323 HydrophobicContact CD1-CB 4.32Å; I263-R323 PolarHBondContact N-O 3.29Å; V320-R323 CarbonylContact O-C 3.58Å; V320-R323 WeakPolarHBondContact O-CA 3.41Å; V320-R323 PolarHBondContact O-N 2.85Å; N321-R323 PolarHBondContact O-N 2.88Å
324	T	89.4	Confident	80.9	Confident	11 Å²	11	60 Å²	60	7%	0.067	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-92.8	128.7	-178.5	-59	0	0	0	0	110	I263 R270 V320 N321 I342	I263-T324 WeakPolarHBondContact O-CA 3.29Å; R270-T324 HydrophobicContact CG-CG2 4.36Å; V320-T324 PolarHBondContact O-N 3.37Å; V320-T324 PolarHBondContact O-OG1 3Å; N321-T324 PolarHBondContact O-N 3.46Å; T324-I342 WeakPolarHBondContact O-CG2 3.49Å
325	G	87.2	Confident	80.5	Confident	5 Å²	5	60.4 Å²	60.4	5%	0.052	30%	0.3	C	S	.	.			trans	-63	146.7	176.2	0	0	0	0	0	112.9	I263 I336	I263-G325 PolarHBondContact O-N 3.36Å; G325-I336 VanDerWaalsContact CA-O 3.24Å; G325-I336 WeakPolarHBondContact CA-O 3.45Å
326	I	85.1	Confident	80.1	Confident	44 Å²	44	57.6 Å²	57.6	23%	0.226	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	132.8	-178.4	-58.9	173.8	0	0	0	108.8	I336 I342 E345	I326-I336 PolarHBondContact N-O 2.9Å; I326-I336 PolarHBondContact O-N 2.74Å; I326-I342 HydrophobicContact CD1-CG2 4.22Å; I326-I342 HydrophobicContact CG1-CG2 4.42Å; I326-E345 HydrophobicContact CD1-CB 3.89Å; I326-E345 HydrophobicContact CD1-CG 3.95Å
327	I	79.4	Confident	79.7	Confident	61 Å²	61	54.2 Å²	54.2	31%	0.313	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	112.9	173.9	-52	174.8	0	0	0	107.3	P265 I335	P265-I327 HydrophobicContact CB-CD1 4.23Å; P265-I327 HydrophobicContact CB-CG1 4.28Å; P265-I327 HydrophobicContact CG-CD1 4.11Å; P265-I327 HydrophobicContact CG-CG1 3.87Å; I327-I335 HydrophobicContact CG1-CG1 4.26Å
328	R	70.4	Confident	79.5	Confident	86 Å²	86	56.7 Å²	56.7	33%	0.325	28%	0.281	S	S	.	.			trans	-90.6	139.2	170.2	-74.1	-172.3	-173.2	150.6	13.7	109.8	D330 D334 I336 E341 E345	R328-D330 VanDerWaalsContact C-N 3.31Å; R328-D330 PolarHBondContact O-N 2.76Å; R328-D334 HydrophobicContact CB-CB 4.11Å; R328-D334 PolarHBondContact N-O 3.14Å; R328-D334 VanDerWaalsContact N-O 3.16Å; R328-D334 VanDerWaalsContact O-CB 3.3Å; R328-D334 WeakPolarHBondContact O-CB 3.37Å; R328-I336 HydrophobicContact CG-CD1 4.01Å; R328-I336 VanDerWaalsContact NE-CD1 3.28Å; R328-I336 VanDerWaalsContact NH2-CD1 3.29Å; R328-E341 IonicContact CZ-OE1 3.95Å; R328-E341 VanDerWaalsContact CZ-OE1 3.29Å; R328-E341 IonicContact NH1-OE1 3.7Å; R328-E341 PolarHBondContact NH1-OE1 3.37Å; R328-E341 IonicContact NH2-OE1 2.74Å; R328-E341 PolarHBondContact NH2-OE1 3.42Å; R328-E345 IonicContact CZ-OE1 2.78Å; R328-E345 IonicContact CZ-OE2 3.49Å; R328-E345 VanDerWaalsContact CZ-OE2 3.22Å; R328-E345 IonicContact NE-OE1 3.8Å; R328-E345 PolarHBondContact NE-OE1 3.3Å; R328-E345 IonicContact NE-OE2 2.71Å; R328-E345 PolarHBondContact NE-OE2 2.85Å; R328-E345 IonicContact NH2-OE1 2.75Å; R328-E345 IonicContact NH2-OE2 2.72Å; R328-E345 PolarHBondContact NH2-OE2 3.12Å
329	N	63.2	Low	79.3	Confident	109 Å²	109	56.6 Å²	56.6	58%	0.583	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.5	21.7	168.8	-54.4	-43	0	0	0	117.6	F331 D334	N329-F331 HydrophobicContact CB-CD2 3.82Å; N329-F331 HydrophobicContact CB-CE2 4.34Å; N329-F331 WeakPolarHBondContact O-CD2 3.38Å; N329-F331 WeakPolarHBondContact O-CE2 3.28Å; N329-F331 PolarHBondContact O-N 3.23Å; N329-D334 PolarHBondContact ND2-OD2 3.46Å
330	D	62	Low	79.1	Confident	127 Å²	127	55.9 Å²	55.9	68%	0.679	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	11.5	180	-47.6	-30.8	0	0	0	114.8	R328	R328-D330 VanDerWaalsContact C-N 3.31Å; R328-D330 PolarHBondContact O-N 2.76Å
331	F	60.4	Low	79	Confident	140 Å²	140	58 Å²	58	61%	0.614	29%	0.29	S	S	*	.			trans	-103.4	139.8	179.1	-65.2	-67.3	0	0	0	111	N329 D333 D334	N329-F331 HydrophobicContact CB-CD2 3.82Å; N329-F331 HydrophobicContact CB-CE2 4.34Å; N329-F331 WeakPolarHBondContact O-CD2 3.38Å; N329-F331 WeakPolarHBondContact O-CE2 3.28Å; N329-F331 PolarHBondContact O-N 3.23Å; F331-D333 PolarHBondContact O-N 2.74Å; F331-D334 PolarHBondContact O-N 3.25Å
332	V	59.8	Low	79	Confident	39 Å²	39	57.4 Å²	57.4	24%	0.236	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-57.5	-36.1	179.3	-168.1	0	0	0	0	112.5	L241 F242 D334 I335	L241-V332 HydrophobicContact CD1-CG2 4.24Å; L241-V332 HydrophobicContact CG-CG2 4.17Å; L241-V332 WeakPolarHBondContact O-CG2 3.48Å; F242-V332 HydrophobicContact CD1-CG1 3.2Å; F242-V332 HydrophobicContact CE1-CG1 3.45Å; F242-V332 VanDerWaalsContact CE1-CG1 3.45Å; F242-V332 HydrophobicContact CG-CG1 4.13Å; V332-D334 PolarHBondContact O-N 3.17Å; V332-I335 WeakPolarHBondContact O-CG1 3.46Å
333	D	60.6	Low	79	Confident	107 Å²	107	56 Å²	56	57%	0.572	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-71.4	-16.9	-173.4	-63.7	-24	0	0	0	112.6	F331	F331-D333 PolarHBondContact O-N 2.74Å
334	D	66.4	Low	79.1	Confident	70 Å²	70	58.9 Å²	58.9	37%	0.374	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-107.8	26.4	-172.4	-83.4	-2.9	0	0	0	112.7	R328 N329 F331 V332 I336	R328-D334 HydrophobicContact CB-CB 4.11Å; R328-D334 PolarHBondContact N-O 3.14Å; R328-D334 VanDerWaalsContact N-O 3.16Å; R328-D334 VanDerWaalsContact O-CB 3.3Å; R328-D334 WeakPolarHBondContact O-CB 3.37Å; N329-D334 PolarHBondContact ND2-OD2 3.46Å; F331-D334 PolarHBondContact O-N 3.25Å; V332-D334 PolarHBondContact O-N 3.17Å; D334-I336 PolarHBondContact O-N 2.89Å
335	I	81.3	Confident	79.1	Confident	8 Å²	8	60.6 Å²	60.6	4%	0.041	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	111.7	171	-55.3	173.6	0	0	0	109.2	L241 F242 R254 P265 I327 V332 L337	L241-I335 HydrophobicContact CD2-CD1 4.3Å; F242-I335 HydrophobicContact CE1-CD1 3.89Å; F242-I335 HydrophobicContact CZ-CD1 3.69Å; R254-I335 PolarHBondContact NH2-O 3.05Å; P265-I335 HydrophobicContact CG-CG2 4.25Å; I327-I335 HydrophobicContact CG1-CG1 4.26Å; V332-I335 WeakPolarHBondContact O-CG1 3.46Å; I335-L337 HydrophobicContact CG2-CD2 4.2Å; I335-L337 HydrophobicContact CG2-CG 4.28Å
336	I	84	Confident	79.2	Confident	18 Å²	18	61.1 Å²	61.1	9%	0.092	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	118.4	178.5	-60.8	164.1	0	0	0	108.4	G325 I326 R328 D334 E341 I342	G325-I336 VanDerWaalsContact CA-O 3.24Å; G325-I336 WeakPolarHBondContact CA-O 3.45Å; I326-I336 PolarHBondContact N-O 2.9Å; I326-I336 PolarHBondContact O-N 2.74Å; R328-I336 HydrophobicContact CG-CD1 4.01Å; R328-I336 VanDerWaalsContact NE-CD1 3.28Å; R328-I336 VanDerWaalsContact NH2-CD1 3.29Å; D334-I336 PolarHBondContact O-N 2.89Å; I336-E341 HydrophobicContact CD1-CG 4.21Å; I336-E341 WeakPolarHBondContact CD1-OE1 3.38Å; I336-E341 HydrophobicContact CG2-CB 3.74Å; I336-E341 HydrophobicContact CG2-CG 3.81Å; I336-I342 HydrophobicContact CG2-CG1 4.07Å
337	L	84.9	Confident	79.5	Confident	3 Å²	3	63 Å²	63	2%	0.016	31%	0.314	C	S	.	.			trans	-108.5	-13.7	176	-65.1	172.6	0	0	0	112.6	E251 R254 Q255 Q258 I262 I335 P339	E251-L337 WeakPolarHBondContact OE1-CD1 3.39Å; R254-L337 HydrophobicContact CG-CD1 4.38Å; Q255-L337 HydrophobicContact CB-CD1 4.33Å; Q258-L337 VanDerWaalsContact CD-CB 3.49Å; Q258-L337 PolarHBondContact OE1-O 3.42Å; I262-L337 VanDerWaalsContact CD1-O 3.23Å; I262-L337 WeakPolarHBondContact CD1-O 3.28Å; I262-L337 HydrophobicContact CG1-CD2 4.38Å; I262-L337 WeakPolarHBondContact CG1-O 3.43Å; I262-L337 HydrophobicContact CG2-CD2 4.48Å; I335-L337 HydrophobicContact CG2-CD2 4.2Å; I335-L337 HydrophobicContact CG2-CG 4.28Å; L337-P339 WeakPolarHBondContact O-CD 3.4Å
338	D	86.7	Confident	80.1	Confident	51 Å²	51	68.9 Å²	68.9	27%	0.273	34%	0.338	S	S	.	.			trans	-69.1	122.2	179.2	-177.8	51.6	0	0	0	111.2	K260 T340 E341 I342	K260-D338 IonicContact NZ-OD1 3.45Å; K260-D338 PolarHBondContact NZ-OD1 3.21Å; D338-T340 PolarHBondContact O-N 3.21Å; D338-T340 PolarHBondContact OD2-N 3.43Å; D338-T340 PolarHBondContact OD2-OG1 2.96Å; D338-E341 PolarHBondContact O-N 3.48Å; D338-I342 WeakPolarHBondContact O-CG1 3.28Å; D338-I342 PolarHBondContact O-N 2.98Å; D338-I342 VanDerWaalsContact O-N 3.08Å
339	P	88	Confident	80.7	Confident	19 Å²	19	68.5 Å²	68.5	12%	0.123	35%	0.345	C	S	.	.	H	α-helix	trans	-63	-25.9	-174.9	20.4	-33.6	0	0	0	114.4	K260 I262 L337 A343	K260-P339 HydrophobicContact CB-CG 4.41Å; K260-P339 HydrophobicContact CD-CG 3.48Å; K260-P339 VanDerWaalsContact CD-CG 3.48Å; I262-P339 HydrophobicContact CD1-CB 4.49Å; L337-P339 WeakPolarHBondContact O-CD 3.4Å; P339-A343 VanDerWaalsContact O-CB 3.28Å; P339-A343 WeakPolarHBondContact O-CB 3.06Å; P339-A343 PolarHBondContact O-N 3.49Å
340	T	88.7	Confident	81.7	Confident	83 Å²	83	68.3 Å²	68.3	51%	0.509	34%	0.336	S	S	.	.	H	α-helix	trans	-72.8	-37.1	179.7	75	0	0	0	0	111.6	D338 R344	D338-T340 PolarHBondContact O-N 3.21Å; D338-T340 PolarHBondContact OD2-N 3.43Å; D338-T340 PolarHBondContact OD2-OG1 2.96Å; T340-R344 PolarHBondContact O-N 3.26Å; T340-R344 VanDerWaalsContact O-N 3.16Å
341	E	89.5	Confident	83	Confident	62 Å²	62	64.3 Å²	64.3	29%	0.29	31%	0.313	S	S	.	.	H	α-helix	trans	-73	-42	176	-170.2	170.9	-175.5	0	0	111.5	R328 I336 D338 A343 R344 E345	R328-E341 IonicContact CZ-OE1 3.95Å; R328-E341 VanDerWaalsContact CZ-OE1 3.29Å; R328-E341 IonicContact NH1-OE1 3.7Å; R328-E341 PolarHBondContact NH1-OE1 3.37Å; R328-E341 IonicContact NH2-OE1 2.74Å; R328-E341 PolarHBondContact NH2-OE1 3.42Å; I336-E341 HydrophobicContact CD1-CG 4.21Å; I336-E341 WeakPolarHBondContact CD1-OE1 3.38Å; I336-E341 HydrophobicContact CG2-CB 3.74Å; I336-E341 HydrophobicContact CG2-CG 3.81Å; D338-E341 PolarHBondContact O-N 3.48Å; E341-A343 VanDerWaalsContact C-N 3.34Å; E341-A343 PolarHBondContact O-N 2.91Å; E341-R344 PolarHBondContact O-N 3.41Å; E341-E345 PolarHBondContact O-N 3.41Å
342	I	89.9	Confident	84.3	Confident	1 Å²	1	62.6 Å²	62.6	1%	0.005	31%	0.309	C	S	.	.	H	α-helix	trans	-56.4	-48.9	174	-67.1	164.8	0	0	0	110.6	I262 T324 I326 I336 D338 R344 E345 Y346	I262-I342 HydrophobicContact CD1-CD1 3.58Å; I262-I342 HydrophobicContact CG1-CD1 4.33Å; T324-I342 WeakPolarHBondContact O-CG2 3.49Å; I326-I342 HydrophobicContact CD1-CG2 4.22Å; I326-I342 HydrophobicContact CG1-CG2 4.42Å; I336-I342 HydrophobicContact CG2-CG1 4.07Å; D338-I342 WeakPolarHBondContact O-CG1 3.28Å; D338-I342 PolarHBondContact O-N 2.98Å; D338-I342 VanDerWaalsContact O-N 3.08Å; I342-R344 PolarHBondContact O-N 3.13Å; I342-E345 PolarHBondContact O-N 3.19Å; I342-Y346 WeakPolarHBondContact O-CB 3.45Å; I342-Y346 PolarHBondContact O-N 2.86Å
343	A	91.4	Very high	85.6	Confident	25 Å²	25	63.9 Å²	63.9	21%	0.207	31%	0.314	C	S	.	.	H	α-helix	trans	-61.1	-43.5	179.3	0	0	0	0	0	111.9	F322 P339 E341 E345 L347	F322-A343 HydrophobicContact CD1-CB 3.93Å; F322-A343 HydrophobicContact CE1-CB 4.13Å; P339-A343 VanDerWaalsContact O-CB 3.28Å; P339-A343 WeakPolarHBondContact O-CB 3.06Å; P339-A343 PolarHBondContact O-N 3.49Å; E341-A343 VanDerWaalsContact C-N 3.34Å; E341-A343 PolarHBondContact O-N 2.91Å; A343-E345 PolarHBondContact O-N 2.91Å; A343-L347 VanDerWaalsContact O-CB 3.25Å; A343-L347 WeakPolarHBondContact O-CB 3.21Å; A343-L347 WeakPolarHBondContact O-CD1 3.16Å; A343-L347 WeakPolarHBondContact O-CG 3.49Å; A343-L347 PolarHBondContact O-N 3.43Å
344	R	92.5	Very high	86.9	Confident	168 Å²	168	58.8 Å²	58.8	63%	0.634	29%	0.287	S	S	*	.	H	α-helix	trans	-62.5	-42.6	179.3	-171.1	-175.8	-63.8	121.4	1	112	T340 E341 I342 K348	T340-R344 PolarHBondContact O-N 3.26Å; T340-R344 VanDerWaalsContact O-N 3.16Å; E341-R344 PolarHBondContact O-N 3.41Å; I342-R344 PolarHBondContact O-N 3.13Å; R344-K348 WeakPolarHBondContact O-CB 3.36Å; R344-K348 PolarHBondContact O-N 3Å
345	E	89.1	Confident	88	Confident	47 Å²	47	58.9 Å²	58.9	22%	0.22	29%	0.286	C	S	.	.	H	α-helix	trans	-72.4	-40.8	-179.2	-172.3	162.1	-162.7	0	0	112.3	I326 R328 E341 I342 A343 K348 T349	I326-E345 HydrophobicContact CD1-CB 3.89Å; I326-E345 HydrophobicContact CD1-CG 3.95Å; R328-E345 IonicContact CZ-OE1 2.78Å; R328-E345 IonicContact CZ-OE2 3.49Å; R328-E345 VanDerWaalsContact CZ-OE2 3.22Å; R328-E345 IonicContact NE-OE1 3.8Å; R328-E345 PolarHBondContact NE-OE1 3.3Å; R328-E345 IonicContact NE-OE2 2.71Å; R328-E345 PolarHBondContact NE-OE2 2.85Å; R328-E345 IonicContact NH2-OE1 2.75Å; R328-E345 IonicContact NH2-OE2 2.72Å; R328-E345 PolarHBondContact NH2-OE2 3.12Å; E341-E345 PolarHBondContact O-N 3.41Å; I342-E345 PolarHBondContact O-N 3.19Å; A343-E345 PolarHBondContact O-N 2.91Å; E345-K348 PolarHBondContact O-N 3.08Å; E345-T349 WeakPolarHBondContact O-CG2 3.06Å; E345-T349 PolarHBondContact O-N 3.11Å; E345-T349 PolarHBondContact O-OG1 3.42Å
346	Y	90.1	Very high	88.2	Confident	15 Å²	15	61.7 Å²	61.7	6%	0.059	30%	0.3	C	S	.	.	H	α-helix	trans	-66.1	-41.7	175.8	-177	-121.1	0	0	0	112.4	I318 N321 F322 I342 K348 T349 W350 F351 D354	I318-Y346 HydrophobicContact CG2-CE1 4.26Å; N321-Y346 HydrophobicContact CB-CE1 4.09Å; N321-Y346 HydrophobicContact CB-CE2 3.98Å; N321-Y346 PolarHBondContact ND2-OH 3.22Å; F322-Y346 HydrophobicContact CD1-CD1 4.02Å; F322-Y346 HydrophobicContact CD2-CD1 4.31Å; F322-Y346 HydrophobicContact CD2-CE1 4.18Å; F322-Y346 AromaticContact CE1-CD1 3.79Å; F322-Y346 HydrophobicContact CE1-CD1 3.79Å; F322-Y346 HydrophobicContact CE1-CE1 4.45Å; F322-Y346 HydrophobicContact CE2-CD1 4.09Å; F322-Y346 AromaticContact CE2-CE1 3.92Å; F322-Y346 HydrophobicContact CE2-CE1 3.92Å; F322-Y346 HydrophobicContact CG-CD1 4.27Å; F322-Y346 AromaticContact CZ-CD1 3.82Å; F322-Y346 HydrophobicContact CZ-CD1 3.82Å; F322-Y346 HydrophobicContact CZ-CE1 4.06Å; I342-Y346 WeakPolarHBondContact O-CB 3.45Å; I342-Y346 PolarHBondContact O-N 2.86Å; Y346-K348 VanDerWaalsContact C-N 3.29Å; Y346-K348 PolarHBondContact O-N 3.49Å; Y346-T349 PolarHBondContact O-N 3.24Å; Y346-T349 PolarHBondContact O-OG1 2.93Å; Y346-W350 HydrophobicContact CE2-CB 4.22Å; Y346-W350 PolarHBondContact O-N 3.35Å; Y346-F351 HydrophobicContact CD1-CB 4.16Å; Y346-F351 HydrophobicContact CD1-CD2 4.27Å; Y346-F351 HydrophobicContact CE1-CB 4.12Å; Y346-F351 AromaticContact CE1-CD2 3.82Å; Y346-F351 HydrophobicContact CE1-CD2 3.82Å; Y346-F351 HydrophobicContact CE1-CG 4.48Å; Y346-F351 WeakPolarHBondContact O-CB 3.22Å; Y346-F351 PolarHBondContact O-N 3.43Å; Y346-F351 VanDerWaalsContact O-N 3.12Å; Y346-D354 PolarHBondContact OH-OD2 3.39Å; Y346-D354 VanDerWaalsContact OH-OD2 3.06Å
347	L	92	Very high	88.3	Confident	83 Å²	83	60.9 Å²	60.9	44%	0.435	30%	0.296	S	S	.	.	H	α-helix	trans	-61.8	-35.6	175.3	-75.6	172	0	0	0	112.7	F322 A343 F351	F322-L347 HydrophobicContact CE1-CD2 4.26Å; F322-L347 HydrophobicContact CE1-CG 4.12Å; F322-L347 HydrophobicContact CZ-CD2 4.03Å; F322-L347 HydrophobicContact CZ-CG 4.39Å; A343-L347 VanDerWaalsContact O-CB 3.25Å; A343-L347 WeakPolarHBondContact O-CB 3.21Å; A343-L347 WeakPolarHBondContact O-CD1 3.16Å; A343-L347 WeakPolarHBondContact O-CG 3.49Å; A343-L347 PolarHBondContact O-N 3.43Å; L347-F351 HydrophobicContact CD2-CB 4.11Å; L347-F351 HydrophobicContact CD2-CD1 3.47Å; L347-F351 VanDerWaalsContact CD2-CD1 3.47Å; L347-F351 HydrophobicContact CD2-CD2 4.07Å; L347-F351 HydrophobicContact CD2-CE1 3.83Å; L347-F351 HydrophobicContact CD2-CE2 4.38Å; L347-F351 HydrophobicContact CD2-CG 3.6Å; L347-F351 HydrophobicContact CD2-CZ 4.27Å
348	K	90.3	Very high	88.3	Confident	186 Å²	186	60.8 Å²	60.8	81%	0.809	30%	0.296	S	S	*	.	H	α-helix	trans	-73.8	-27.6	179.4	-174.2	178.2	177.9	-175.6	0	113.1	R344 E345 Y346	R344-K348 WeakPolarHBondContact O-CB 3.36Å; R344-K348 PolarHBondContact O-N 3Å; E345-K348 PolarHBondContact O-N 3.08Å; Y346-K348 VanDerWaalsContact C-N 3.29Å; Y346-K348 PolarHBondContact O-N 3.49Å
349	T	84.3	Confident	88.2	Confident	78 Å²	78	61.5 Å²	61.5	48%	0.479	30%	0.299	S	S	.	.	H	α-helix	trans	-103.3	-78	-169	51.9	0	0	0	0	112.3	E345 Y346	E345-T349 WeakPolarHBondContact O-CG2 3.06Å; E345-T349 PolarHBondContact O-N 3.11Å; E345-T349 PolarHBondContact O-OG1 3.42Å; Y346-T349 PolarHBondContact O-N 3.24Å; Y346-T349 PolarHBondContact O-OG1 2.93Å
350	W	84.3	Confident	88	Confident	104 Å²	104	61.9 Å²	61.9	39%	0.394	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-13	-163.2	-62.1	100.9	0	0	0	114.9	Y346 I352 L353 D354	Y346-W350 HydrophobicContact CE2-CB 4.22Å; Y346-W350 PolarHBondContact O-N 3.35Å; W350-I352 VanDerWaalsContact C-N 3.27Å; W350-I352 PolarHBondContact O-N 2.91Å; W350-L353 HydrophobicContact CE3-CD1 3.84Å; W350-L353 HydrophobicContact CZ3-CD1 4.01Å; W350-L353 PolarHBondContact O-N 2.94Å; W350-L353 VanDerWaalsContact O-N 3.12Å; W350-D354 PolarHBondContact O-N 3.36Å
351	F	89.8	Confident	87.3	Confident	44 Å²	44	61.2 Å²	61.2	19%	0.193	29%	0.294	C	S	.	.	H	α-helix	trans	-52.2	-43.5	-174.7	171.7	-103.4	0	0	0	113.5	I318 F322 Y346 L347 L353 D354 M355	I318-F351 HydrophobicContact CG2-CD2 4.27Å; I318-F351 HydrophobicContact CG2-CE2 4.09Å; F322-F351 AromaticContact CE2-CD2 3.87Å; F322-F351 HydrophobicContact CE2-CD2 3.87Å; F322-F351 AromaticContact CE2-CE2 3.76Å; F322-F351 HydrophobicContact CE2-CE2 3.76Å; F322-F351 AromaticContact CZ-CD2 3.63Å; F322-F351 HydrophobicContact CZ-CD2 3.63Å; F322-F351 AromaticContact CZ-CE2 3.7Å; F322-F351 HydrophobicContact CZ-CE2 3.7Å; F322-F351 HydrophobicContact CZ-CG 4.5Å; Y346-F351 HydrophobicContact CD1-CB 4.16Å; Y346-F351 HydrophobicContact CD1-CD2 4.27Å; Y346-F351 HydrophobicContact CE1-CB 4.12Å; Y346-F351 AromaticContact CE1-CD2 3.82Å; Y346-F351 HydrophobicContact CE1-CD2 3.82Å; Y346-F351 HydrophobicContact CE1-CG 4.48Å; Y346-F351 WeakPolarHBondContact O-CB 3.22Å; Y346-F351 PolarHBondContact O-N 3.43Å; Y346-F351 VanDerWaalsContact O-N 3.12Å; L347-F351 HydrophobicContact CD2-CB 4.11Å; L347-F351 HydrophobicContact CD2-CD1 3.47Å; L347-F351 VanDerWaalsContact CD2-CD1 3.47Å; L347-F351 HydrophobicContact CD2-CD2 4.07Å; L347-F351 HydrophobicContact CD2-CE1 3.83Å; L347-F351 HydrophobicContact CD2-CE2 4.38Å; L347-F351 HydrophobicContact CD2-CG 3.6Å; L347-F351 HydrophobicContact CD2-CZ 4.27Å; F351-L353 VanDerWaalsContact C-N 3.35Å; F351-L353 PolarHBondContact O-N 3.15Å; F351-D354 PolarHBondContact O-N 3.33Å; F351-M355 HydrophobicContact CE1-CE 4.39Å; F351-M355 HydrophobicContact CE1-SD 3.82Å; F351-M355 HydrophobicContact CZ-CB 4.36Å; F351-M355 HydrophobicContact CZ-CG 4.46Å; F351-M355 HydrophobicContact CZ-SD 3.75Å; F351-M355 VanDerWaalsContact O-CB 3.24Å; F351-M355 WeakPolarHBondContact O-CB 3.21Å; F351-M355 PolarHBondContact O-N 3.37Å
352	I	87.5	Confident	86.6	Confident	103 Å²	103	59.2 Å²	59.2	53%	0.528	29%	0.285	S	S	.	.	H	α-helix	trans	-62.5	-44	-177.2	-61.7	174.6	0	0	0	110.9	W350 I356	W350-I352 VanDerWaalsContact C-N 3.27Å; W350-I352 PolarHBondContact O-N 2.91Å; I352-I356 HydrophobicContact CG2-CD1 3.87Å; I352-I356 VanDerWaalsContact O-CG1 3.3Å; I352-I356 WeakPolarHBondContact O-CG1 3.32Å; I352-I356 PolarHBondContact O-N 2.99Å
353	L	85.8	Confident	86.1	Confident	67 Å²	67	62.1 Å²	62.1	35%	0.351	30%	0.296	S	S	.	.	H	α-helix	trans	-66.1	-44.3	177.8	-69.2	172.5	0	0	0	110.9	W350 F351 M355 S357	W350-L353 HydrophobicContact CE3-CD1 3.84Å; W350-L353 HydrophobicContact CZ3-CD1 4.01Å; W350-L353 PolarHBondContact O-N 2.94Å; W350-L353 VanDerWaalsContact O-N 3.12Å; F351-L353 VanDerWaalsContact C-N 3.35Å; F351-L353 PolarHBondContact O-N 3.15Å; L353-M355 PolarHBondContact O-N 3.12Å; L353-S357 VanDerWaalsContact O-CB 3.26Å; L353-S357 WeakPolarHBondContact O-CB 3.33Å; L353-S357 PolarHBondContact O-N 3.31Å; L353-S357 PolarHBondContact O-OG 3.14Å
354	D	88.2	Confident	85.5	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-64.3	-42	179.8	-73.9	-21.7	0	0	0	110.9	I318 Y346 W350 F351 S357 S358 R406 R409	I318-D354 HydrophobicContact CG1-CB 4.33Å; Y346-D354 PolarHBondContact OH-OD2 3.39Å; Y346-D354 VanDerWaalsContact OH-OD2 3.06Å; W350-D354 PolarHBondContact O-N 3.36Å; F351-D354 PolarHBondContact O-N 3.33Å; D354-S357 PolarHBondContact O-N 2.86Å; D354-S357 PolarHBondContact O-OG 2.79Å; D354-S358 WeakPolarHBondContact O-CB 3.17Å; D354-S358 PolarHBondContact O-N 3.16Å; D354-S358 VanDerWaalsContact O-N 3.1Å; D354-S358 PolarHBondContact O-OG 3.16Å; D354-R406 VanDerWaalsContact CG-NE 3.32Å; D354-R406 PolarHBondContact O-NH2 3.41Å; D354-R406 WeakPolarHBondContact OD1-CD 3.5Å; D354-R406 VanDerWaalsContact OD1-CG 3.27Å; D354-R406 WeakPolarHBondContact OD1-CG 3.25Å; D354-R406 IonicContact OD1-CZ 2.97Å; D354-R406 IonicContact OD1-NE 3.85Å; D354-R406 PolarHBondContact OD1-NE 3.06Å; D354-R406 IonicContact OD1-NH2 3.81Å; D354-R406 IonicContact OD2-NE 3.27Å; D354-R409 IonicContact OD1-NH1 2.7Å; D354-R409 IonicContact OD1-NH2 3.67Å; D354-R409 IonicContact OD2-CZ 3.14Å; D354-R409 IonicContact OD2-NH1 2.71Å; D354-R409 PolarHBondContact OD2-NH1 3.47Å; D354-R409 IonicContact OD2-NH2 3.77Å; D354-R409 PolarHBondContact OD2-NH2 2.82Å
355	M	89.3	Confident	84.7	Confident	72 Å²	72	57.2 Å²	57.2	36%	0.355	28%	0.28	S	S	.	.	H	α-helix	trans	-62	-52.6	176.6	-176.2	-179.6	68.6	0	0	112.5	F351 L353 S357 S358 I359	F351-M355 HydrophobicContact CE1-CE 4.39Å; F351-M355 HydrophobicContact CE1-SD 3.82Å; F351-M355 HydrophobicContact CZ-CB 4.36Å; F351-M355 HydrophobicContact CZ-CG 4.46Å; F351-M355 HydrophobicContact CZ-SD 3.75Å; F351-M355 VanDerWaalsContact O-CB 3.24Å; F351-M355 WeakPolarHBondContact O-CB 3.21Å; F351-M355 PolarHBondContact O-N 3.37Å; L353-M355 PolarHBondContact O-N 3.12Å; M355-S357 PolarHBondContact O-N 3.42Å; M355-S358 PolarHBondContact O-N 2.86Å; M355-S358 VanDerWaalsContact O-N 3.14Å; M355-I359 HydrophobicContact CG-CD1 3.94Å; M355-I359 WeakPolarHBondContact O-CG1 3.22Å; M355-I359 PolarHBondContact O-N 3.06Å
356	I	86	Confident	83.8	Confident	66 Å²	66	59.6 Å²	59.6	34%	0.338	29%	0.29	S	S	.	.	H	α-helix	trans	-60.4	-37.6	-179.5	-67.1	168.2	0	0	0	110.8	I352 S358 L402	I352-I356 HydrophobicContact CG2-CD1 3.87Å; I352-I356 VanDerWaalsContact O-CG1 3.3Å; I352-I356 WeakPolarHBondContact O-CG1 3.32Å; I352-I356 PolarHBondContact O-N 2.99Å; I356-S358 VanDerWaalsContact C-N 3.34Å; I356-S358 PolarHBondContact O-N 2.85Å; I356-L402 HydrophobicContact CG2-CD1 4.07Å
357	S	85.8	Confident	83.1	Confident	1 Å²	1	62.1 Å²	62.1	1%	0.007	31%	0.314	C	S	.	.	H	α-helix	trans	-73.6	-21.6	-179.7	76.3	0	0	0	0	114.6	L353 D354 M355 R403 R406	L353-S357 VanDerWaalsContact O-CB 3.26Å; L353-S357 WeakPolarHBondContact O-CB 3.33Å; L353-S357 PolarHBondContact O-N 3.31Å; L353-S357 PolarHBondContact O-OG 3.14Å; D354-S357 PolarHBondContact O-N 2.86Å; D354-S357 PolarHBondContact O-OG 2.79Å; M355-S357 PolarHBondContact O-N 3.42Å; S357-R403 PolarHBondContact O-NE 3.36Å; S357-R403 PolarHBondContact O-NH2 3.4Å; S357-R406 PolarHBondContact OG-NH2 2.93Å; S357-R406 VanDerWaalsContact OG-NH2 3.1Å
358	S	86	Confident	82.4	Confident	1 Å²	1	65 Å²	65	1%	0.007	32%	0.324	C	S	.	.	H	α-helix	trans	-91.1	-20.6	-178.1	-73.8	0	0	0	0	113.4	F314 I318 D354 M355 I356 R406	F314-S358 PolarHBondContact O-OG 3.09Å; F314-S358 VanDerWaalsContact O-OG 3.06Å; I318-S358 WeakPolarHBondContact CD1-OG 3.37Å; D354-S358 WeakPolarHBondContact O-CB 3.17Å; D354-S358 PolarHBondContact O-N 3.16Å; D354-S358 VanDerWaalsContact O-N 3.1Å; D354-S358 PolarHBondContact O-OG 3.16Å; M355-S358 PolarHBondContact O-N 2.86Å; M355-S358 VanDerWaalsContact O-N 3.14Å; I356-S358 VanDerWaalsContact C-N 3.34Å; I356-S358 PolarHBondContact O-N 2.85Å; S358-R406 PolarHBondContact OG-NH2 2.94Å
359	I	83.8	Confident	81.3	Confident	67 Å²	67	59.2 Å²	59.2	34%	0.344	30%	0.298	S	S	.	.	S	Bend	trans	-82.2	124.9	-175.4	-64	164.3	0	0	0	110.3	M355 M361 V364	M355-I359 HydrophobicContact CG-CD1 3.94Å; M355-I359 WeakPolarHBondContact O-CG1 3.22Å; M355-I359 PolarHBondContact O-N 3.06Å; I359-M361 VanDerWaalsContact C-N 3.28Å; I359-M361 HydrophobicContact CB-SD 4.43Å; I359-M361 HydrophobicContact CG2-CG 4.2Å; I359-M361 HydrophobicContact CG2-SD 3.61Å; I359-M361 PolarHBondContact O-N 3.26Å; I359-V364 HydrophobicContact CG2-CG2 4.36Å
360	P	83	Confident	80.3	Confident	27 Å²	27	58.4 Å²	58.4	18%	0.175	31%	0.305	C	S	.	.			trans	-75.9	77.9	175.2	31.1	-34.8	0	0	0	111.6	D311 D362 Y363 V364	D311-P360 WeakPolarHBondContact OD2-CB 3.49Å; P360-D362 VanDerWaalsContact C-OD1 3.28Å; P360-D362 PolarHBondContact O-N 3.47Å; P360-D362 VanDerWaalsContact O-N 3.16Å; P360-Y363 HydrophobicContact CB-CD2 3.43Å; P360-Y363 VanDerWaalsContact CB-CD2 3.43Å; P360-Y363 HydrophobicContact CB-CE2 4.13Å; P360-Y363 HydrophobicContact CB-CG 4.22Å; P360-Y363 HydrophobicContact CG-CD2 4.06Å; P360-Y363 PolarHBondContact O-N 3.32Å; P360-Y363 VanDerWaalsContact O-N 3.13Å; P360-V364 WeakPolarHBondContact O-CG2 3.47Å; P360-V364 PolarHBondContact O-N 2.81Å
361	M	75.5	Confident	79	Confident	69 Å²	69	63.5 Å²	63.5	34%	0.34	33%	0.326	S	S	.	.	H	α-helix	trans	-60.1	-26.2	-176.4	-70.9	-58.5	-62.4	0	0	113.5	I359 L365 L396 L399	I359-M361 VanDerWaalsContact C-N 3.28Å; I359-M361 HydrophobicContact CB-SD 4.43Å; I359-M361 HydrophobicContact CG2-CG 4.2Å; I359-M361 HydrophobicContact CG2-SD 3.61Å; I359-M361 PolarHBondContact O-N 3.26Å; M361-L365 VanDerWaalsContact O-CB 3.3Å; M361-L365 WeakPolarHBondContact O-CB 3.33Å; M361-L365 PolarHBondContact O-N 3.45Å; M361-L396 HydrophobicContact CB-CB 4.07Å; M361-L396 HydrophobicContact CB-CD1 4.47Å; M361-L399 HydrophobicContact CG-CD1 4.32Å
362	D	74.8	Confident	77.4	Confident	19 Å²	19	69.3 Å²	69.3	10%	0.102	35%	0.354	C	S	.	.	H	α-helix	trans	-63.1	-54.8	171.8	49.8	-13.9	0	0	0	111.5	P360 V364 L365 F366 A393 R400	P360-D362 VanDerWaalsContact C-OD1 3.28Å; P360-D362 PolarHBondContact O-N 3.47Å; P360-D362 VanDerWaalsContact O-N 3.16Å; D362-V364 VanDerWaalsContact C-N 3.32Å; D362-V364 PolarHBondContact O-N 3.47Å; D362-L365 PolarHBondContact O-N 3.32Å; D362-F366 WeakPolarHBondContact O-CD2 3.45Å; D362-F366 PolarHBondContact O-N 3.47Å; D362-A393 HydrophobicContact CB-CB 4.48Å; D362-R400 IonicContact OD1-CZ 3.11Å; D362-R400 IonicContact OD1-NE 3.86Å; D362-R400 IonicContact OD1-NH2 2.98Å; D362-R400 PolarHBondContact OD1-NH2 2.96Å; D362-R400 IonicContact OD2-NH2 2.8Å; D362-R400 PolarHBondContact OD2-NH2 3.45Å
363	Y	78.7	Confident	75.6	Confident	63 Å²	63	70.7 Å²	70.7	25%	0.247	36%	0.358	C	S	.	.	H	α-helix	trans	-64	-38	178.4	-59.9	-42.6	0	0	0	112.5	L304 N307 P360 F366 A367	L304-Y363 HydrophobicContact CD1-CD1 4.27Å; L304-Y363 HydrophobicContact CD1-CE1 3.32Å; L304-Y363 HydrophobicContact CD1-CE2 4.18Å; L304-Y363 WeakPolarHBondContact CD1-OH 3.47Å; N307-Y363 WeakPolarHBondContact CB-OH 3.26Å; N307-Y363 PolarHBondContact ND2-OH 3.07Å; P360-Y363 HydrophobicContact CB-CD2 3.43Å; P360-Y363 VanDerWaalsContact CB-CD2 3.43Å; P360-Y363 HydrophobicContact CB-CE2 4.13Å; P360-Y363 HydrophobicContact CB-CG 4.22Å; P360-Y363 HydrophobicContact CG-CD2 4.06Å; P360-Y363 PolarHBondContact O-N 3.32Å; P360-Y363 VanDerWaalsContact O-N 3.13Å; Y363-F366 PolarHBondContact O-N 3.43Å; Y363-A367 WeakPolarHBondContact O-CB 3.45Å; Y363-A367 PolarHBondContact O-N 3.41Å
364	V	79.2	Confident	73.7	Confident	50 Å²	50	70.4 Å²	70.4	30%	0.303	37%	0.371	S	S	.	.	H	α-helix	trans	-61	-46.3	176	174	0	0	0	0	110.3	I359 P360 D362 F366 A367 F368	I359-V364 HydrophobicContact CG2-CG2 4.36Å; P360-V364 WeakPolarHBondContact O-CG2 3.47Å; P360-V364 PolarHBondContact O-N 2.81Å; D362-V364 VanDerWaalsContact C-N 3.32Å; D362-V364 PolarHBondContact O-N 3.47Å; V364-F366 PolarHBondContact O-N 2.99Å; V364-A367 PolarHBondContact O-N 3.31Å; V364-F368 HydrophobicContact CG1-CD2 3.6Å; V364-F368 HydrophobicContact CG1-CE2 3.38Å; V364-F368 WeakPolarHBondContact O-CD2 3.43Å; V364-F368 PolarHBondContact O-N 3.04Å
365	L	74.5	Confident	71.5	Confident	39 Å²	39	78.8 Å²	78.8	20%	0.204	41%	0.41	C	S	.	.	H	α-helix	trans	-64.5	-39.5	178.2	-171.8	69.7	0	0	0	112.4	M361 D362 K369 I389 A393 L396	M361-L365 VanDerWaalsContact O-CB 3.3Å; M361-L365 WeakPolarHBondContact O-CB 3.33Å; M361-L365 PolarHBondContact O-N 3.45Å; D362-L365 PolarHBondContact O-N 3.32Å; L365-K369 PolarHBondContact O-N 3.42Å; L365-I389 HydrophobicContact CD2-CG2 4.35Å; L365-A393 HydrophobicContact CD2-CB 4.26Å; L365-L396 HydrophobicContact CD2-CD1 4.12Å
366	F	71.5	Confident	68.9	Low	98 Å²	98	86.5 Å²	86.5	43%	0.43	44%	0.435	S	S	.	.	H	α-helix	trans	-65.9	-41.8	175.1	-78.3	-65.4	0	0	0	112.1	D362 Y363 V364 K369 G370 L390 A393	D362-F366 WeakPolarHBondContact O-CD2 3.45Å; D362-F366 PolarHBondContact O-N 3.47Å; Y363-F366 PolarHBondContact O-N 3.43Å; V364-F366 PolarHBondContact O-N 2.99Å; F366-K369 PolarHBondContact O-N 3.27Å; F366-G370 PolarHBondContact O-N 2.88Å; F366-L390 HydrophobicContact CE1-CD2 3.52Å; F366-L390 HydrophobicContact CZ-CD2 3.48Å; F366-L390 VanDerWaalsContact CZ-CD2 3.48Å; F366-A393 HydrophobicContact CE2-CB 3.85Å; F366-A393 HydrophobicContact CZ-CB 4.03Å
367	A	75.8	Confident	66.6	Low	67 Å²	67	86.9 Å²	86.9	55%	0.554	45%	0.448	S	S	*	.	H	α-helix	trans	-64.6	-43.7	178.4	0	0	0	0	0	112.2	Y363 V364 K369 G370 Y371	Y363-A367 WeakPolarHBondContact O-CB 3.45Å; Y363-A367 PolarHBondContact O-N 3.41Å; V364-A367 PolarHBondContact O-N 3.31Å; A367-K369 VanDerWaalsContact C-N 3.32Å; A367-K369 PolarHBondContact O-N 2.68Å; A367-G370 PolarHBondContact O-N 3.27Å; A367-Y371 PolarHBondContact O-N 2.98Å
368	F	76.7	Confident	64.6	Low	145 Å²	145	92.9 Å²	92.9	64%	0.636	48%	0.477	S	S	*	.	H	α-helix	trans	-61.4	-39	176.9	-83.2	-64.5	0	0	0	112.5	V364 E372	V364-F368 HydrophobicContact CG1-CD2 3.6Å; V364-F368 HydrophobicContact CG1-CE2 3.38Å; V364-F368 WeakPolarHBondContact O-CD2 3.43Å; V364-F368 PolarHBondContact O-N 3.04Å; F368-E372 PolarHBondContact O-N 3.34Å
369	K	66.9	Low	63	Low	63 Å²	63	101 Å²	101	27%	0.274	51%	0.514	S	S	.	.	H	α-helix	trans	-76.7	-37.1	177.9	-82.7	-179.9	172.7	136.2	0	114.1	L365 F366 A367 Y371 E372 Q373 I389	L365-K369 PolarHBondContact O-N 3.42Å; F366-K369 PolarHBondContact O-N 3.27Å; A367-K369 VanDerWaalsContact C-N 3.32Å; A367-K369 PolarHBondContact O-N 2.68Å; K369-Y371 PolarHBondContact O-N 2.97Å; K369-E372 PolarHBondContact O-N 2.97Å; K369-Q373 PolarHBondContact O-N 3.29Å; K369-I389 HydrophobicContact CD-CD1 3.89Å; K369-I389 HydrophobicContact CD-CG1 4.49Å; K369-I389 HydrophobicContact CD-CG2 3.71Å
370	G	63.9	Low	61.1	Low	61 Å²	61	105.4 Å²	105.4	63%	0.629	54%	0.537	S	S	*	.	H	α-helix	trans	-61.5	-26.5	174.5	0	0	0	0	0	112.6	F366 A367	F366-G370 PolarHBondContact O-N 2.88Å; A367-G370 PolarHBondContact O-N 3.27Å
371	Y	55.7	Low	59.4	Low	211 Å²	211	107.9 Å²	107.9	83%	0.827	55%	0.552	S	S	*	*	H	α-helix	trans	-81.8	-34.7	177.3	-162.2	-98.3	0	0	0	113.6	A367 K369	A367-Y371 PolarHBondContact O-N 2.98Å; K369-Y371 PolarHBondContact O-N 2.97Å
372	E	56.3	Low	58.4	Low	167 Å²	167	107.9 Å²	107.9	78%	0.78	55%	0.551	S	S	*	*	H	α-helix	trans	-80.1	-19.3	179.2	-78.5	-167.5	155.3	0	0	114.2	F368 K369 G374	F368-E372 PolarHBondContact O-N 3.34Å; K369-E372 PolarHBondContact O-N 2.97Å; E372-G374 VanDerWaalsContact C-N 3.33Å; E372-G374 PolarHBondContact O-N 3.38Å
373	Q	50.4	Low	57.3	Low	132 Å²	132	109.1 Å²	109.1	62%	0.617	56%	0.564	S	S	*	*			trans	-94.5	58.4	-179.8	-77.9	176.5	-39.1	0	0	112.7	K369	K369-Q373 PolarHBondContact O-N 3.29Å
374	G	46	Very low	56.3	Low	61 Å²	61	107.8 Å²	107.8	63%	0.629	57%	0.569	S	S	*	*			trans	-84.7	120.6	155.7	0	0	0	0	0	110.1	E372	E372-G374 VanDerWaalsContact C-N 3.33Å; E372-G374 PolarHBondContact O-N 3.38Å
375	E	42.5	Very low	55.4	Low	176 Å²	176	113.5 Å²	113.5	82%	0.822	59%	0.585	S	S	*	*	S	Bend	trans	61.3	115	167.7	-60	-161.8	152.7	0	0	120
376	R	34.7	Very low	54.8	Low	233 Å²	233	113.7 Å²	113.7	88%	0.879	59%	0.593	S	S	*	*			trans	70.9	133.8	152.1	-74.9	177.8	171.9	141.3	-2.2	120
377	A	36.6	Very low	54.5	Low	74 Å²	74	113.5 Å²	113.5	61%	0.612	60%	0.596	S	S	*	*			trans	100.4	114.2	151.6	0	0	0	0	0	118.7	Q382	A377-Q382 PolarHBondContact O-NE2 3Å
378	E	44.7	Very low	53.9	Low	128 Å²	128	118.9 Å²	118.9	60%	0.598	60%	0.602	S	S	*	*			trans	98.8	63.5	157	-53.7	-162.3	171.7	0	0	120.2	L380 Q382	E378-L380 VanDerWaalsContact C-N 3.3Å; E378-L380 PolarHBondContact O-N 3.48Å; E378-L380 VanDerWaalsContact O-N 3.09Å; E378-Q382 WeakPolarHBondContact O-CB 3.31Å; E378-Q382 WeakPolarHBondContact O-CG 3.39Å; E378-Q382 PolarHBondContact O-N 3.46Å; E378-Q382 VanDerWaalsContact O-N 3.07Å
379	H	51.2	Low	53.4	Low	172 Å²	172	114 Å²	114	80%	0.796	58%	0.581	S	S	*	*	H	α-helix	trans	-53	-25.8	179.5	-75.6	-79.9	0	0	0	117.5	A383	H379-A383 PolarHBondContact O-N 2.83Å
380	L	44.9	Very low	53.4	Low	158 Å²	158	114.6 Å²	114.6	83%	0.827	59%	0.588	S	S	*	*	H	α-helix	trans	-97.2	-39.6	-175.3	-88.1	156.4	0	0	0	114.1	E378 Q382 A383	E378-L380 VanDerWaalsContact C-N 3.3Å; E378-L380 PolarHBondContact O-N 3.48Å; E378-L380 VanDerWaalsContact O-N 3.09Å; L380-Q382 VanDerWaalsContact C-N 3.26Å; L380-A383 PolarHBondContact O-N 3.34Å
381	V	47.5	Very low	53.7	Low	79 Å²	79	114.7 Å²	114.7	48%	0.479	57%	0.569	S	S	.	*	H	α-helix	trans	-70	-31.5	171.3	178.1	0	0	0	0	110.1	R385	V381-R385 PolarHBondContact O-N 3.14Å
382	Q	53.3	Low	54.5	Low	70 Å²	70	108.7 Å²	108.7	33%	0.327	55%	0.551	S	S	.	*	H	α-helix	trans	-66.5	-34.5	171.5	-73.4	175.3	-2.2	0	0	112.7	A377 E378 L380 R385 A386	A377-Q382 PolarHBondContact O-NE2 3Å; E378-Q382 WeakPolarHBondContact O-CB 3.31Å; E378-Q382 WeakPolarHBondContact O-CG 3.39Å; E378-Q382 PolarHBondContact O-N 3.46Å; E378-Q382 VanDerWaalsContact O-N 3.07Å; L380-Q382 VanDerWaalsContact C-N 3.26Å; Q382-R385 PolarHBondContact O-N 2.98Å; Q382-A386 WeakPolarHBondContact O-CA 3.23Å; Q382-A386 WeakPolarHBondContact O-CB 3.4Å; Q382-A386 PolarHBondContact O-N 3.3Å
383	A	53.1	Low	55.2	Low	45 Å²	45	101 Å²	101	37%	0.372	52%	0.515	S	S	.	.	H	α-helix	trans	-62.5	-46.6	178.7	0	0	0	0	0	112	H379 L380 R385 A386 L387	H379-A383 PolarHBondContact O-N 2.83Å; L380-A383 PolarHBondContact O-N 3.34Å; A383-R385 PolarHBondContact O-N 3.49Å; A383-A386 PolarHBondContact O-N 2.98Å; A383-L387 WeakPolarHBondContact O-CG 3.3Å; A383-L387 PolarHBondContact O-N 3.22Å
384	G	57.3	Low	56.1	Low	35 Å²	35	96.5 Å²	96.5	36%	0.361	49%	0.494	S	S	.	.	H	α-helix	trans	-65.1	-38	177	0	0	0	0	0	113.4	R388	G384-R388 WeakPolarHBondContact O-CG 3.35Å; G384-R388 PolarHBondContact O-N 3.22Å
385	R	60.6	Low	57.5	Low	169 Å²	169	97.3 Å²	97.3	64%	0.638	48%	0.483	S	S	*	.	H	α-helix	trans	-69.4	-43.3	173.2	-72.8	-176.8	177.8	175.3	1.3	111.4	V381 Q382 A383 L387 R388 I389	V381-R385 PolarHBondContact O-N 3.14Å; Q382-R385 PolarHBondContact O-N 2.98Å; A383-R385 PolarHBondContact O-N 3.49Å; R385-L387 PolarHBondContact O-N 3.08Å; R385-R388 PolarHBondContact O-N 3.29Å; R385-I389 HydrophobicContact CB-CD1 4.5Å; R385-I389 WeakPolarHBondContact O-CD1 3.39Å; R385-I389 WeakPolarHBondContact O-CG1 3.16Å; R385-I389 PolarHBondContact O-N 3.38Å
386	A	61.6	Low	59.2	Low	44 Å²	44	91 Å²	91	36%	0.364	46%	0.455	S	S	.	.	H	α-helix	trans	-59.8	-45.6	178.5	0	0	0	0	0	111	Q382 A383 R388 I389 L390	Q382-A386 WeakPolarHBondContact O-CA 3.23Å; Q382-A386 WeakPolarHBondContact O-CB 3.4Å; Q382-A386 PolarHBondContact O-N 3.3Å; A383-A386 PolarHBondContact O-N 2.98Å; A386-R388 VanDerWaalsContact C-N 3.34Å; A386-R388 PolarHBondContact O-N 3.45Å; A386-I389 CarbonylContact O-C 3.58Å; A386-I389 WeakPolarHBondContact O-CB 3.5Å; A386-I389 PolarHBondContact O-N 3.36Å; A386-I389 VanDerWaalsContact O-N 3.07Å; A386-L390 VanDerWaalsContact O-CG 3.32Å; A386-L390 WeakPolarHBondContact O-CG 3.35Å; A386-L390 PolarHBondContact O-N 3.05Å
387	L	64	Low	61.2	Low	93 Å²	93	80.4 Å²	80.4	49%	0.487	42%	0.417	S	S	.	.	H	α-helix	trans	-60	-40.1	175	-71.9	172.2	0	0	0	112.8	A383 R385 I389 R391	A383-L387 WeakPolarHBondContact O-CG 3.3Å; A383-L387 PolarHBondContact O-N 3.22Å; R385-L387 PolarHBondContact O-N 3.08Å; L387-I389 VanDerWaalsContact C-N 3.33Å; L387-R391 WeakPolarHBondContact O-CB 3.5Å; L387-R391 WeakPolarHBondContact O-CG 3.29Å; L387-R391 PolarHBondContact O-N 3.47Å
388	R	63.3	Low	63.2	Low	181 Å²	181	79.3 Å²	79.3	68%	0.683	40%	0.4	S	S	*	.	H	α-helix	trans	-65.6	-37.9	173.8	-69.9	-178.1	-163.9	177.1	4.6	112	G384 R385 A386 R391 L392	G384-R388 WeakPolarHBondContact O-CG 3.35Å; G384-R388 PolarHBondContact O-N 3.22Å; R385-R388 PolarHBondContact O-N 3.29Å; A386-R388 VanDerWaalsContact C-N 3.34Å; A386-R388 PolarHBondContact O-N 3.45Å; R388-R391 PolarHBondContact O-N 3.18Å; R388-L392 WeakPolarHBondContact O-CB 3.35Å; R388-L392 PolarHBondContact O-N 2.82Å
389	I	67.2	Low	65	Low	41 Å²	41	76 Å²	76	21%	0.21	39%	0.386	C	S	.	.	H	α-helix	trans	-68.7	-41.7	179.1	-67.6	163.5	0	0	0	110.8	L365 K369 R385 A386 L387 L392 A393	L365-I389 HydrophobicContact CD2-CG2 4.35Å; K369-I389 HydrophobicContact CD-CD1 3.89Å; K369-I389 HydrophobicContact CD-CG1 4.49Å; K369-I389 HydrophobicContact CD-CG2 3.71Å; R385-I389 HydrophobicContact CB-CD1 4.5Å; R385-I389 WeakPolarHBondContact O-CD1 3.39Å; R385-I389 WeakPolarHBondContact O-CG1 3.16Å; R385-I389 PolarHBondContact O-N 3.38Å; A386-I389 CarbonylContact O-C 3.58Å; A386-I389 WeakPolarHBondContact O-CB 3.5Å; A386-I389 PolarHBondContact O-N 3.36Å; A386-I389 VanDerWaalsContact O-N 3.07Å; L387-I389 VanDerWaalsContact C-N 3.33Å; I389-L392 PolarHBondContact O-N 3.16Å; I389-A393 WeakPolarHBondContact O-CB 3.42Å; I389-A393 PolarHBondContact O-N 2.94Å
390	L	67.5	Low	66.5	Low	77 Å²	77	68.1 Å²	68.1	40%	0.403	35%	0.35	S	S	.	.	H	α-helix	trans	-61.7	-44.6	173.5	-68.9	175.8	0	0	0	110.9	F366 A386 L392 A393 K394	F366-L390 HydrophobicContact CE1-CD2 3.52Å; F366-L390 HydrophobicContact CZ-CD2 3.48Å; F366-L390 VanDerWaalsContact CZ-CD2 3.48Å; A386-L390 VanDerWaalsContact O-CG 3.32Å; A386-L390 WeakPolarHBondContact O-CG 3.35Å; A386-L390 PolarHBondContact O-N 3.05Å; L390-L392 PolarHBondContact O-N 3.26Å; L390-A393 PolarHBondContact O-N 3.04Å; L390-K394 WeakPolarHBondContact O-CG 3.49Å; L390-K394 PolarHBondContact O-N 3.14Å
391	R	69.6	Low	68.2	Low	62 Å²	62	62.1 Å²	62.1	23%	0.234	32%	0.318	C	S	.	.	H	α-helix	trans	-59.4	-44	173.2	-76.1	-173.5	-79.1	-152.4	-10.7	112.1	L387 R388 K394 L395 L451 D453	L387-R391 WeakPolarHBondContact O-CB 3.5Å; L387-R391 WeakPolarHBondContact O-CG 3.29Å; L387-R391 PolarHBondContact O-N 3.47Å; R388-R391 PolarHBondContact O-N 3.18Å; R391-K394 WeakPolarHBondContact O-CB 3.38Å; R391-K394 PolarHBondContact O-N 2.95Å; R391-L395 WeakPolarHBondContact O-CG 3.46Å; R391-L395 PolarHBondContact O-N 2.77Å; R391-L451 HydrophobicContact CB-CD2 4.05Å; R391-L451 HydrophobicContact CG-CD2 3.81Å; R391-L451 PolarHBondContact NH1-O 3.31Å; R391-D453 IonicContact CZ-OD2 3.98Å; R391-D453 IonicContact NH1-OD1 3.57Å; R391-D453 IonicContact NH1-OD2 2.7Å; R391-D453 PolarHBondContact NH1-OD2 3.39Å; R391-D453 IonicContact NH2-OD2 3.77Å
392	L	71.7	Confident	69.8	Low	86 Å²	86	61.9 Å²	61.9	45%	0.45	31%	0.314	S	S	.	.	H	α-helix	trans	-65.4	-41	177	-175.6	64.7	0	0	0	111.8	R388 I389 L390 K394 L395 L396	R388-L392 WeakPolarHBondContact O-CB 3.35Å; R388-L392 PolarHBondContact O-N 2.82Å; I389-L392 PolarHBondContact O-N 3.16Å; L390-L392 PolarHBondContact O-N 3.26Å; L392-K394 VanDerWaalsContact C-N 3.32Å; L392-K394 PolarHBondContact O-N 2.95Å; L392-L395 PolarHBondContact O-N 3.49Å; L392-L395 VanDerWaalsContact O-N 3.13Å; L392-L396 HydrophobicContact CG-CD1 4.26Å; L392-L396 HydrophobicContact CG-CG 4.43Å; L392-L396 WeakPolarHBondContact O-CG 3.34Å; L392-L396 PolarHBondContact O-N 2.91Å
393	A	71	Confident	71.2	Confident	4 Å²	4	58.7 Å²	58.7	3%	0.033	30%	0.299	C	S	.	.	H	α-helix	trans	-60.2	-42.8	174.9	0	0	0	0	0	111.4	D362 L365 F366 I389 L390 L395 L396 S397	D362-A393 HydrophobicContact CB-CB 4.48Å; L365-A393 HydrophobicContact CD2-CB 4.26Å; F366-A393 HydrophobicContact CE2-CB 3.85Å; F366-A393 HydrophobicContact CZ-CB 4.03Å; I389-A393 WeakPolarHBondContact O-CB 3.42Å; I389-A393 PolarHBondContact O-N 2.94Å; L390-A393 PolarHBondContact O-N 3.04Å; A393-L395 VanDerWaalsContact C-N 3.33Å; A393-L395 PolarHBondContact O-N 3.43Å; A393-L396 PolarHBondContact O-N 3.34Å; A393-S397 PolarHBondContact O-N 3.35Å
394	K	69.4	Low	72.3	Confident	39 Å²	39	59.2 Å²	59.2	17%	0.17	30%	0.295	C	S	.	.	H	α-helix	trans	-61.6	-35.7	172.5	-75.7	-171.2	171	-152.3	0	113.2	I292 F295 N296 L390 R391 L392 S397 M450	I292-K394 HydrophobicContact CG2-CB 4.26Å; I292-K394 PolarHBondContact O-NZ 3.01Å; F295-K394 PolarHBondContact O-NZ 3.4Å; N296-K394 PolarHBondContact OD1-NZ 3.21Å; L390-K394 WeakPolarHBondContact O-CG 3.49Å; L390-K394 PolarHBondContact O-N 3.14Å; R391-K394 WeakPolarHBondContact O-CB 3.38Å; R391-K394 PolarHBondContact O-N 2.95Å; L392-K394 VanDerWaalsContact C-N 3.32Å; L392-K394 PolarHBondContact O-N 2.95Å; K394-S397 PolarHBondContact O-OG 3.46Å; K394-M450 HydrophobicContact CD-CE 4.31Å
395	L	76	Confident	73.4	Confident	77 Å²	77	58.9 Å²	58.9	40%	0.403	29%	0.287	S	S	.	.	H	α-helix	trans	-73.9	-37.3	175.7	-71.5	172.6	0	0	0	112	R391 L392 A393 S397 L398 L451	R391-L395 WeakPolarHBondContact O-CG 3.46Å; R391-L395 PolarHBondContact O-N 2.77Å; L392-L395 PolarHBondContact O-N 3.49Å; L392-L395 VanDerWaalsContact O-N 3.13Å; A393-L395 VanDerWaalsContact C-N 3.33Å; A393-L395 PolarHBondContact O-N 3.43Å; L395-S397 VanDerWaalsContact C-N 3.3Å; L395-S397 PolarHBondContact O-N 3.07Å; L395-L398 HydrophobicContact CD2-CD1 4.01Å; L395-L398 VanDerWaalsContact O-CB 3.3Å; L395-L398 WeakPolarHBondContact O-CB 3.22Å; L395-L398 PolarHBondContact O-N 3.14Å; L395-L398 VanDerWaalsContact O-N 3.16Å; L395-L451 HydrophobicContact CD2-CD1 3.99Å
396	L	78.5	Confident	74.4	Confident	44 Å²	44	50.8 Å²	50.8	23%	0.23	26%	0.257	C	S	.	.	H	α-helix	trans	-67.6	-30.8	177	-71.4	174.7	0	0	0	112.2	M361 L365 L392 A393 L398 L399	M361-L396 HydrophobicContact CB-CB 4.07Å; M361-L396 HydrophobicContact CB-CD1 4.47Å; L365-L396 HydrophobicContact CD2-CD1 4.12Å; L392-L396 HydrophobicContact CG-CD1 4.26Å; L392-L396 HydrophobicContact CG-CG 4.43Å; L392-L396 WeakPolarHBondContact O-CG 3.34Å; L392-L396 PolarHBondContact O-N 2.91Å; A393-L396 PolarHBondContact O-N 3.34Å; L396-L398 PolarHBondContact O-N 2.89Å; L396-L399 HydrophobicContact CD2-CD1 3.98Å; L396-L399 VanDerWaalsContact O-CB 3.23Å; L396-L399 WeakPolarHBondContact O-CB 3.39Å; L396-L399 VanDerWaalsContact O-CG 3.31Å; L396-L399 WeakPolarHBondContact O-CG 3.39Å; L396-L399 PolarHBondContact O-N 3.49Å
397	S	75.3	Confident	75.2	Confident	11 Å²	11	49 Å²	49	8%	0.077	24%	0.241	C	C	.	.	H	α-helix	trans	-66.7	-20.7	173.8	66.1	0	0	0	0	112.7	I292 A393 K394 L395 L399 R400	I292-S397 WeakPolarHBondContact CD1-OG 3.49Å; I292-S397 WeakPolarHBondContact CG1-OG 3.32Å; A393-S397 PolarHBondContact O-N 3.35Å; K394-S397 PolarHBondContact O-OG 3.46Å; L395-S397 VanDerWaalsContact C-N 3.3Å; L395-S397 PolarHBondContact O-N 3.07Å; S397-L399 PolarHBondContact O-N 2.99Å; S397-R400 WeakPolarHBondContact O-CB 3.31Å; S397-R400 VanDerWaalsContact O-CD 3.25Å; S397-R400 WeakPolarHBondContact O-CD 3.4Å; S397-R400 WeakPolarHBondContact O-CG 3.39Å; S397-R400 PolarHBondContact O-N 3.18Å; S397-R400 VanDerWaalsContact O-N 3.14Å
398	L	79.8	Confident	75.8	Confident	50 Å²	50	48.7 Å²	48.7	26%	0.262	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-66.6	-17.9	171	-62.8	171	0	0	0	113.2	I292 L395 L396 R400 L401 L447	I292-L398 HydrophobicContact CD1-CD2 3.68Å; I292-L398 HydrophobicContact CD1-CG 4.23Å; I292-L398 HydrophobicContact CG2-CD2 4.34Å; L395-L398 HydrophobicContact CD2-CD1 4.01Å; L395-L398 VanDerWaalsContact O-CB 3.3Å; L395-L398 WeakPolarHBondContact O-CB 3.22Å; L395-L398 PolarHBondContact O-N 3.14Å; L395-L398 VanDerWaalsContact O-N 3.16Å; L396-L398 PolarHBondContact O-N 2.89Å; L398-R400 PolarHBondContact O-N 3.26Å; L398-R400 VanDerWaalsContact O-N 3.14Å; L398-L401 HydrophobicContact CB-CD1 4.46Å; L398-L401 HydrophobicContact CD2-CD1 3.84Å; L398-L401 VanDerWaalsContact O-CB 3.26Å; L398-L401 WeakPolarHBondContact O-CB 3.34Å; L398-L401 WeakPolarHBondContact O-CG 3.36Å; L398-L401 PolarHBondContact O-N 3.46Å; L398-L447 HydrophobicContact CD1-CD2 4.16Å
399	L	81.6	Confident	76.5	Confident	59 Å²	59	42.3 Å²	42.3	31%	0.309	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-59.5	-23.8	172	-65.1	174.8	0	0	0	111.9	M361 L396 S397 L401 L402	M361-L399 HydrophobicContact CG-CD1 4.32Å; L396-L399 HydrophobicContact CD2-CD1 3.98Å; L396-L399 VanDerWaalsContact O-CB 3.23Å; L396-L399 WeakPolarHBondContact O-CB 3.39Å; L396-L399 VanDerWaalsContact O-CG 3.31Å; L396-L399 WeakPolarHBondContact O-CG 3.39Å; L396-L399 PolarHBondContact O-N 3.49Å; S397-L399 PolarHBondContact O-N 2.99Å; L399-L401 PolarHBondContact O-N 3.34Å; L399-L402 HydrophobicContact CD2-CD1 4.26Å; L399-L402 VanDerWaalsContact O-CB 3.23Å; L399-L402 WeakPolarHBondContact O-CB 3.44Å; L399-L402 VanDerWaalsContact O-CG 3.31Å; L399-L402 WeakPolarHBondContact O-CG 3.27Å; L399-L402 PolarHBondContact O-N 2.8Å
400	R	82.5	Confident	76.9	Confident	6 Å²	6	40.5 Å²	40.5	2%	0.023	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-63.1	-21.6	173.1	-58.9	165.1	-176.8	-102.4	-6.1	112.1	L288 N307 D311 D362 S397 L398 L402 R403	L288-R400 HydrophobicContact CD1-CB 3.74Å; N307-R400 PolarHBondContact ND2-NH1 3.49Å; N307-R400 PolarHBondContact ND2-NH2 2.89Å; N307-R400 PolarHBondContact OD1-NH1 2.87Å; D311-R400 IonicContact OD1-CZ 2.88Å; D311-R400 IonicContact OD1-NH1 2.67Å; D311-R400 PolarHBondContact OD1-NH1 3.3Å; D311-R400 IonicContact OD2-CZ 3.65Å; D311-R400 VanDerWaalsContact OD2-CZ 3.27Å; D311-R400 IonicContact OD2-NH1 3.22Å; D311-R400 PolarHBondContact OD2-NH1 2.94Å; D311-R400 IonicContact OD2-NH2 3.29Å; D311-R400 PolarHBondContact OD2-NH2 3.49Å; D362-R400 IonicContact OD1-CZ 3.11Å; D362-R400 IonicContact OD1-NE 3.86Å; D362-R400 IonicContact OD1-NH2 2.98Å; D362-R400 PolarHBondContact OD1-NH2 2.96Å; D362-R400 IonicContact OD2-NH2 2.8Å; D362-R400 PolarHBondContact OD2-NH2 3.45Å; S397-R400 WeakPolarHBondContact O-CB 3.31Å; S397-R400 VanDerWaalsContact O-CD 3.25Å; S397-R400 WeakPolarHBondContact O-CD 3.4Å; S397-R400 WeakPolarHBondContact O-CG 3.39Å; S397-R400 PolarHBondContact O-N 3.18Å; S397-R400 VanDerWaalsContact O-N 3.14Å; L398-R400 PolarHBondContact O-N 3.26Å; L398-R400 VanDerWaalsContact O-N 3.14Å; R400-L402 PolarHBondContact O-N 3.33Å; R400-R403 VanDerWaalsContact O-CB 3.23Å; R400-R403 WeakPolarHBondContact O-CB 3.44Å; R400-R403 VanDerWaalsContact O-CD 3.3Å; R400-R403 WeakPolarHBondContact O-CD 3.4Å; R400-R403 WeakPolarHBondContact O-CG 3.48Å; R400-R403 PolarHBondContact O-N 3.26Å; R400-R403 VanDerWaalsContact O-N 3.15Å
401	L	80.2	Confident	77.2	Confident	33 Å²	33	38.6 Å²	38.6	17%	0.173	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-69.2	-16.8	174.6	-57.3	-179.7	0	0	0	112.7	P289 L398 L399 R403 L404 W440	P289-L401 HydrophobicContact CG-CD2 4.05Å; L398-L401 HydrophobicContact CB-CD1 4.46Å; L398-L401 HydrophobicContact CD2-CD1 3.84Å; L398-L401 VanDerWaalsContact O-CB 3.26Å; L398-L401 WeakPolarHBondContact O-CB 3.34Å; L398-L401 WeakPolarHBondContact O-CG 3.36Å; L398-L401 PolarHBondContact O-N 3.46Å; L399-L401 PolarHBondContact O-N 3.34Å; L401-R403 PolarHBondContact O-N 3.17Å; L401-R403 VanDerWaalsContact O-N 3.11Å; L401-L404 VanDerWaalsContact O-CB 3.27Å; L401-L404 WeakPolarHBondContact O-CB 3.4Å; L401-L404 PolarHBondContact O-N 3.36Å; L401-W440 HydrophobicContact CB-CH2 4.01Å; L401-W440 HydrophobicContact CB-CZ2 4.14Å; L401-W440 HydrophobicContact CD1-CZ2 4.29Å; L401-W440 HydrophobicContact CD2-CH2 4.44Å; L401-W440 HydrophobicContact CD2-CZ2 3.7Å; L401-W440 HydrophobicContact CG-CZ2 4.25Å
402	L	82.3	Confident	77.3	Confident	73 Å²	73	38.9 Å²	38.9	38%	0.382	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-62.9	-14.5	171	-62.5	175.5	0	0	0	112.7	I356 L399 R400 L404 S405	I356-L402 HydrophobicContact CG2-CD1 4.07Å; L399-L402 HydrophobicContact CD2-CD1 4.26Å; L399-L402 VanDerWaalsContact O-CB 3.23Å; L399-L402 WeakPolarHBondContact O-CB 3.44Å; L399-L402 VanDerWaalsContact O-CG 3.31Å; L399-L402 WeakPolarHBondContact O-CG 3.27Å; L399-L402 PolarHBondContact O-N 2.8Å; R400-L402 PolarHBondContact O-N 3.33Å; L402-L404 PolarHBondContact O-N 2.7Å; L402-L404 VanDerWaalsContact O-N 3.12Å; L402-S405 WeakPolarHBondContact O-CB 3.46Å; L402-S405 PolarHBondContact O-N 3.39Å; L402-S405 VanDerWaalsContact O-N 3.11Å; L402-S405 PolarHBondContact O-OG 3.47Å
403	R	81.6	Confident	77.1	Confident	4 Å²	4	36.8 Å²	36.8	2%	0.015	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-56.8	-21.6	168.3	-66.7	172.5	-168.3	178.6	0.7	112.2	L281 D311 S357 R400 L401 S405 R406 L407	L281-R403 HydrophobicContact CD1-CB 4.32Å; L281-R403 WeakPolarHBondContact CD1-O 3.33Å; D311-R403 IonicContact OD1-CZ 3.6Å; D311-R403 IonicContact OD1-NH1 3.16Å; D311-R403 IonicContact OD1-NH2 3.77Å; D311-R403 PolarHBondContact OD1-NH2 2.74Å; S357-R403 PolarHBondContact O-NE 3.36Å; S357-R403 PolarHBondContact O-NH2 3.4Å; R400-R403 VanDerWaalsContact O-CB 3.23Å; R400-R403 WeakPolarHBondContact O-CB 3.44Å; R400-R403 VanDerWaalsContact O-CD 3.3Å; R400-R403 WeakPolarHBondContact O-CD 3.4Å; R400-R403 WeakPolarHBondContact O-CG 3.48Å; R400-R403 PolarHBondContact O-N 3.26Å; R400-R403 VanDerWaalsContact O-N 3.15Å; L401-R403 PolarHBondContact O-N 3.17Å; L401-R403 VanDerWaalsContact O-N 3.11Å; R403-S405 PolarHBondContact O-N 3.04Å; R403-S405 VanDerWaalsContact O-N 3.09Å; R403-R406 WeakPolarHBondContact O-CB 3.32Å; R403-R406 PolarHBondContact O-N 2.89Å; R403-L407 PolarHBondContact O-N 3.16Å
404	L	77.6	Confident	77.1	Confident	56 Å²	56	39 Å²	39	29%	0.293	20%	0.203	S	C	.	.	H	α-helix	trans	-52.7	-31.2	173.9	-174.1	71.7	0	0	0	112.4	L285 L401 L402 R406 L407 V408 W440	L285-L404 HydrophobicContact CD1-CD1 4.16Å; L285-L404 HydrophobicContact CD2-CD1 4.14Å; L401-L404 VanDerWaalsContact O-CB 3.27Å; L401-L404 WeakPolarHBondContact O-CB 3.4Å; L401-L404 PolarHBondContact O-N 3.36Å; L402-L404 PolarHBondContact O-N 2.7Å; L402-L404 VanDerWaalsContact O-N 3.12Å; L404-R406 PolarHBondContact O-N 3.35Å; L404-L407 HydrophobicContact CD1-CB 4.35Å; L404-L407 HydrophobicContact CD1-CD2 3.77Å; L404-L407 WeakPolarHBondContact O-CB 3.4Å; L404-L407 PolarHBondContact O-N 3.02Å; L404-L407 VanDerWaalsContact O-N 3.1Å; L404-V408 PolarHBondContact O-N 3.19Å; L404-V408 VanDerWaalsContact O-N 3.16Å; L404-W440 HydrophobicContact CB-CH2 4.26Å; L404-W440 HydrophobicContact CD1-CH2 4.47Å; L404-W440 HydrophobicContact CD2-CH2 3.88Å; L404-W440 HydrophobicContact CD2-CZ3 4.02Å; L404-W440 HydrophobicContact CG-CH2 4.44Å
405	S	80	Confident	77	Confident	27 Å²	27	41.3 Å²	41.3	19%	0.189	21%	0.214	C	C	.	.	H	α-helix	trans	-56.8	-37.6	173.6	61	0	0	0	0	112.7	L402 R403 R409	L402-S405 WeakPolarHBondContact O-CB 3.46Å; L402-S405 PolarHBondContact O-N 3.39Å; L402-S405 VanDerWaalsContact O-N 3.11Å; L402-S405 PolarHBondContact O-OG 3.47Å; R403-S405 PolarHBondContact O-N 3.04Å; R403-S405 VanDerWaalsContact O-N 3.09Å; S405-R409 PolarHBondContact O-N 3.41Å
406	R	82.4	Confident	76.4	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-68.9	-39.9	175.3	-51	-163	-170.5	177.9	18.6	112	L281 F314 D317 D354 S357 S358 R403 L404 V408 R409 Y410	L281-R406 HydrophobicContact CD1-CB 4.05Å; F314-R406 PolarHBondContact O-NH1 3.35Å; D317-R406 IonicContact OD2-CZ 3.41Å; D317-R406 IonicContact OD2-NH1 2.93Å; D317-R406 PolarHBondContact OD2-NH1 3.2Å; D354-R406 VanDerWaalsContact CG-NE 3.32Å; D354-R406 PolarHBondContact O-NH2 3.41Å; D354-R406 WeakPolarHBondContact OD1-CD 3.5Å; D354-R406 VanDerWaalsContact OD1-CG 3.27Å; D354-R406 WeakPolarHBondContact OD1-CG 3.25Å; D354-R406 IonicContact OD1-CZ 2.97Å; D354-R406 IonicContact OD1-NE 3.85Å; D354-R406 PolarHBondContact OD1-NE 3.06Å; D354-R406 IonicContact OD1-NH2 3.81Å; D354-R406 IonicContact OD2-NE 3.27Å; S357-R406 PolarHBondContact OG-NH2 2.93Å; S357-R406 VanDerWaalsContact OG-NH2 3.1Å; S358-R406 PolarHBondContact OG-NH2 2.94Å; R403-R406 WeakPolarHBondContact O-CB 3.32Å; R403-R406 PolarHBondContact O-N 2.89Å; L404-R406 PolarHBondContact O-N 3.35Å; R406-V408 VanDerWaalsContact C-N 3.29Å; R406-V408 PolarHBondContact O-N 3.38Å; R406-R409 PolarHBondContact O-N 3.12Å; R406-R409 VanDerWaalsContact O-N 3.15Å; R406-Y410 HydrophobicContact CB-CD2 4.34Å; R406-Y410 HydrophobicContact CB-CE2 3.82Å; R406-Y410 VanDerWaalsContact O-CD2 3.25Å; R406-Y410 WeakPolarHBondContact O-CD2 3.49Å; R406-Y410 PolarHBondContact O-N 2.87Å
407	L	77.6	Confident	75.7	Confident	7 Å²	7	43.4 Å²	43.4	4%	0.037	22%	0.22	C	C	.	.	H	α-helix	trans	-56.5	-46.8	177.9	-179.9	59.6	0	0	0	111	L278 L281 L285 R403 L404 R409 Y410 I411	L278-L407 HydrophobicContact CD1-CD1 3.22Å; L281-L407 HydrophobicContact CD1-CB 4Å; L281-L407 HydrophobicContact CD2-CB 3.65Å; L281-L407 HydrophobicContact CD2-CD1 4.06Å; L281-L407 HydrophobicContact CD2-CD2 3.96Å; L281-L407 HydrophobicContact CD2-CG 4.08Å; L285-L407 HydrophobicContact CD2-CD2 4.19Å; R403-L407 PolarHBondContact O-N 3.16Å; L404-L407 HydrophobicContact CD1-CB 4.35Å; L404-L407 HydrophobicContact CD1-CD2 3.77Å; L404-L407 WeakPolarHBondContact O-CB 3.4Å; L404-L407 PolarHBondContact O-N 3.02Å; L404-L407 VanDerWaalsContact O-N 3.1Å; L407-R409 VanDerWaalsContact C-N 3.31Å; L407-R409 PolarHBondContact O-N 3.32Å; L407-Y410 PolarHBondContact O-N 3.47Å; L407-I411 HydrophobicContact CD1-CD1 3.73Å; L407-I411 HydrophobicContact CD1-CG1 3.94Å; L407-I411 HydrophobicContact CD2-CD1 4.29Å; L407-I411 HydrophobicContact CG-CD1 3.69Å; L407-I411 HydrophobicContact CG-CG1 4.27Å; L407-I411 WeakPolarHBondContact O-CB 3.3Å; L407-I411 WeakPolarHBondContact O-CG1 3.28Å; L407-I411 PolarHBondContact O-N 2.94Å
408	V	75.7	Confident	75.1	Confident	86 Å²	86	45.4 Å²	45.4	52%	0.521	23%	0.23	S	C	.	.	H	α-helix	trans	-57.5	-46.6	178.2	177.1	0	0	0	0	110.5	L404 R406 Y410 I411 T412	L404-V408 PolarHBondContact O-N 3.19Å; L404-V408 VanDerWaalsContact O-N 3.16Å; R406-V408 VanDerWaalsContact C-N 3.29Å; R406-V408 PolarHBondContact O-N 3.38Å; V408-Y410 PolarHBondContact O-N 3.41Å; V408-I411 PolarHBondContact O-N 3.25Å; V408-T412 WeakPolarHBondContact O-CG2 3.33Å; V408-T412 PolarHBondContact O-N 2.78Å; V408-T412 PolarHBondContact O-OG1 2.85Å; V408-T412 VanDerWaalsContact O-OG1 3.08Å
409	R	78.4	Confident	74.1	Confident	46 Å²	46	47.7 Å²	47.7	17%	0.174	24%	0.242	C	C	.	.	H	α-helix	trans	-62.2	-44.5	178.4	-62.5	-174.4	-50.4	-151.1	2.9	112.7	D354 S405 R406 L407 T412 Q413	D354-R409 IonicContact OD1-NH1 2.7Å; D354-R409 IonicContact OD1-NH2 3.67Å; D354-R409 IonicContact OD2-CZ 3.14Å; D354-R409 IonicContact OD2-NH1 2.71Å; D354-R409 PolarHBondContact OD2-NH1 3.47Å; D354-R409 IonicContact OD2-NH2 3.77Å; D354-R409 PolarHBondContact OD2-NH2 2.82Å; S405-R409 PolarHBondContact O-N 3.41Å; R406-R409 PolarHBondContact O-N 3.12Å; R406-R409 VanDerWaalsContact O-N 3.15Å; L407-R409 VanDerWaalsContact C-N 3.31Å; L407-R409 PolarHBondContact O-N 3.32Å; R409-T412 WeakPolarHBondContact CA-OG1 3.41Å; R409-T412 PolarHBondContact O-N 3.31Å; R409-T412 PolarHBondContact O-OG1 3.39Å; R409-Q413 WeakPolarHBondContact O-CB 3.44Å; R409-Q413 PolarHBondContact O-N 3.03Å
410	Y	76.7	Confident	72.8	Confident	3 Å²	3	50 Å²	50	1%	0.012	25%	0.254	C	S	.	.	H	α-helix	trans	-63.7	-51	178.2	-61.5	-39.3	0	0	0	109.5	M277 D317 R406 L407 V408 T412 Q413 W414	M277-Y410 HydrophobicContact CB-CE2 4.18Å; D317-Y410 PolarHBondContact OD1-OH 2.96Å; D317-Y410 PolarHBondContact OD2-OH 3.49Å; R406-Y410 HydrophobicContact CB-CD2 4.34Å; R406-Y410 HydrophobicContact CB-CE2 3.82Å; R406-Y410 VanDerWaalsContact O-CD2 3.25Å; R406-Y410 WeakPolarHBondContact O-CD2 3.49Å; R406-Y410 PolarHBondContact O-N 2.87Å; L407-Y410 PolarHBondContact O-N 3.47Å; V408-Y410 PolarHBondContact O-N 3.41Å; Y410-T412 VanDerWaalsContact C-N 3.3Å; Y410-T412 PolarHBondContact O-N 2.86Å; Y410-Q413 PolarHBondContact O-N 2.96Å; Y410-W414 WeakPolarHBondContact O-CB 3.18Å; Y410-W414 PolarHBondContact O-N 3.15Å
411	I	73.2	Confident	71.7	Confident	37 Å²	37	52.9 Å²	52.9	19%	0.19	28%	0.279	C	S	.	.	H	α-helix	trans	-54.4	-46.6	178.4	-68.7	173.2	0	0	0	111.2	L407 V408 Q413 W414 E415 N429	L407-I411 HydrophobicContact CD1-CD1 3.73Å; L407-I411 HydrophobicContact CD1-CG1 3.94Å; L407-I411 HydrophobicContact CD2-CD1 4.29Å; L407-I411 HydrophobicContact CG-CD1 3.69Å; L407-I411 HydrophobicContact CG-CG1 4.27Å; L407-I411 WeakPolarHBondContact O-CB 3.3Å; L407-I411 WeakPolarHBondContact O-CG1 3.28Å; L407-I411 PolarHBondContact O-N 2.94Å; V408-I411 PolarHBondContact O-N 3.25Å; I411-Q413 VanDerWaalsContact C-N 3.33Å; I411-Q413 PolarHBondContact O-N 3.35Å; I411-W414 CarbonylContact O-C 3.55Å; I411-W414 WeakPolarHBondContact O-CB 3.44Å; I411-W414 PolarHBondContact O-N 3.39Å; I411-W414 VanDerWaalsContact O-N 3.1Å; I411-E415 HydrophobicContact CG2-CG 4.26Å; I411-E415 WeakPolarHBondContact O-CG 3.41Å; I411-E415 PolarHBondContact O-N 3.26Å; I411-N429 WeakPolarHBondContact CG2-ND2 3.45Å
412	T	70.8	Confident	71.1	Confident	69 Å²	69	56.1 Å²	56.1	42%	0.423	31%	0.305	S	S	.	.	H	α-helix	trans	-61.6	-40.5	178.8	49	0	0	0	0	112.6	V408 R409 Y410 W414 E415	V408-T412 WeakPolarHBondContact O-CG2 3.33Å; V408-T412 PolarHBondContact O-N 2.78Å; V408-T412 PolarHBondContact O-OG1 2.85Å; V408-T412 VanDerWaalsContact O-OG1 3.08Å; R409-T412 WeakPolarHBondContact CA-OG1 3.41Å; R409-T412 PolarHBondContact O-N 3.31Å; R409-T412 PolarHBondContact O-OG1 3.39Å; Y410-T412 VanDerWaalsContact C-N 3.3Å; Y410-T412 PolarHBondContact O-N 2.86Å; T412-W414 VanDerWaalsContact C-N 3.3Å; T412-W414 PolarHBondContact O-N 3.17Å; T412-E415 PolarHBondContact O-N 3.04Å
413	Q	69.1	Low	70.4	Confident	42 Å²	42	58.2 Å²	58.2	20%	0.196	31%	0.311	C	S	.	.	H	α-helix	trans	-67.1	-34.5	176.3	-166.6	-178.6	5	0	0	111.6	N274 R409 Y410 I411 F417	N274-Q413 PolarHBondContact ND2-OE1 2.92Å; R409-Q413 WeakPolarHBondContact O-CB 3.44Å; R409-Q413 PolarHBondContact O-N 3.03Å; Y410-Q413 PolarHBondContact O-N 2.96Å; I411-Q413 VanDerWaalsContact C-N 3.33Å; I411-Q413 PolarHBondContact O-N 3.35Å; Q413-F417 HydrophobicContact CG-CE2 3.76Å; Q413-F417 HydrophobicContact CG-CZ 4Å; Q413-F417 WeakPolarHBondContact O-CD2 3.43Å; Q413-F417 WeakPolarHBondContact O-CE2 3.29Å; Q413-F417 WeakPolarHBondContact O-CG 3.4Å
414	W	69.7	Low	70.1	Confident	50 Å²	50	62.6 Å²	62.6	19%	0.189	33%	0.33	C	S	.	.	H	α-helix	trans	-73.7	-35.1	177.3	-84.6	87.1	0	0	0	113.2	F271 V275 Y410 I411 T412 E416 F417 I418	F271-W414 HydrophobicContact CD2-CH2 4.06Å; F271-W414 HydrophobicContact CD2-CZ2 4.1Å; F271-W414 HydrophobicContact CE1-CH2 4.19Å; F271-W414 HydrophobicContact CE2-CE3 4.38Å; F271-W414 AromaticContact CE2-CH2 3.15Å; F271-W414 HydrophobicContact CE2-CH2 3.15Å; F271-W414 AromaticContact CE2-CZ2 3.63Å; F271-W414 HydrophobicContact CE2-CZ2 3.63Å; F271-W414 AromaticContact CE2-CZ3 3.58Å; F271-W414 HydrophobicContact CE2-CZ3 3.58Å; F271-W414 AromaticContact CZ-CH2 3.24Å; F271-W414 HydrophobicContact CZ-CH2 3.24Å; F271-W414 HydrophobicContact CZ-CZ2 4.03Å; F271-W414 AromaticContact CZ-CZ3 3.8Å; F271-W414 HydrophobicContact CZ-CZ3 3.8Å; V275-W414 HydrophobicContact CG2-CH2 3.55Å; V275-W414 HydrophobicContact CG2-CZ2 3.37Å; Y410-W414 WeakPolarHBondContact O-CB 3.18Å; Y410-W414 PolarHBondContact O-N 3.15Å; I411-W414 CarbonylContact O-C 3.55Å; I411-W414 WeakPolarHBondContact O-CB 3.44Å; I411-W414 PolarHBondContact O-N 3.39Å; I411-W414 VanDerWaalsContact O-N 3.1Å; T412-W414 VanDerWaalsContact C-N 3.3Å; T412-W414 PolarHBondContact O-N 3.17Å; W414-E416 PolarHBondContact O-N 3.41Å; W414-F417 PolarHBondContact O-N 3.23Å; W414-I418 HydrophobicContact CE3-CD1 4.11Å; W414-I418 HydrophobicContact CE3-CG1 4.49Å; W414-I418 PolarHBondContact O-N 3.04Å
415	E	67.6	Low	70.1	Confident	87 Å²	87	62.1 Å²	62.1	41%	0.407	33%	0.326	S	S	.	.	H	α-helix	trans	-58.9	-33.3	174.3	-78.6	-177.4	168.6	0	0	111.7	I411 T412 F417 N429	I411-E415 HydrophobicContact CG2-CG 4.26Å; I411-E415 WeakPolarHBondContact O-CG 3.41Å; I411-E415 PolarHBondContact O-N 3.26Å; T412-E415 PolarHBondContact O-N 3.04Å; E415-F417 VanDerWaalsContact C-N 3.32Å; E415-N429 PolarHBondContact OE1-ND2 3.24Å
416	E	64.8	Low	70.2	Confident	117 Å²	117	61.7 Å²	61.7	55%	0.547	33%	0.326	S	S	.	.	H	α-helix	trans	-70.8	-28.9	174.8	-67.2	176.5	179.9	0	0	113	W414	W414-E416 PolarHBondContact O-N 3.41Å
417	F	62	Low	70.3	Confident	48 Å²	48	62.8 Å²	62.8	21%	0.211	33%	0.332	C	S	.	.	H	α-helix	trans	-83	-35.3	-178.4	-62.8	-28.9	0	0	0	112.8	L237 Q413 W414 E415 N419	L237-F417 HydrophobicContact CD1-CD1 3.27Å; L237-F417 HydrophobicContact CD1-CE1 3.65Å; L237-F417 HydrophobicContact CD1-CG 4.36Å; L237-F417 HydrophobicContact CD2-CB 4.39Å; L237-F417 HydrophobicContact CD2-CD1 3.07Å; L237-F417 HydrophobicContact CD2-CD2 4.38Å; L237-F417 HydrophobicContact CD2-CE1 3.15Å; L237-F417 HydrophobicContact CD2-CE2 4.45Å; L237-F417 HydrophobicContact CD2-CG 3.72Å; L237-F417 HydrophobicContact CD2-CZ 3.87Å; L237-F417 HydrophobicContact CG-CD1 3.68Å; L237-F417 HydrophobicContact CG-CE1 3.79Å; Q413-F417 HydrophobicContact CG-CE2 3.76Å; Q413-F417 HydrophobicContact CG-CZ 4Å; Q413-F417 WeakPolarHBondContact O-CD2 3.43Å; Q413-F417 WeakPolarHBondContact O-CE2 3.29Å; Q413-F417 WeakPolarHBondContact O-CG 3.4Å; W414-F417 PolarHBondContact O-N 3.23Å; E415-F417 VanDerWaalsContact C-N 3.32Å; F417-N419 PolarHBondContact O-N 3.06Å
418	I	63.8	Low	70.6	Confident	54 Å²	54	65 Å²	65	28%	0.277	35%	0.347	S	S	.	.			trans	-89.7	92	179.6	-58.8	177.3	0	0	0	108.2	W414 I420 M425	W414-I418 HydrophobicContact CE3-CD1 4.11Å; W414-I418 HydrophobicContact CE3-CG1 4.49Å; W414-I418 PolarHBondContact O-N 3.04Å; I418-I420 HydrophobicContact CG2-CB 3.69Å; I418-I420 HydrophobicContact CG2-CD1 3.57Å; I418-I420 HydrophobicContact CG2-CG1 3.6Å; I418-I420 PolarHBondContact O-N 2.86Å; I418-M425 HydrophobicContact CD1-CE 4.29Å
419	N	58.9	Low	70.9	Confident	97 Å²	97	62.1 Å²	62.1	52%	0.519	33%	0.329	S	S	.	.			trans	-64	10.6	174.2	-69.2	-55.1	0	0	0	114.1	K240 F417 A421	K240-N419 PolarHBondContact NZ-OD1 3.33Å; F417-N419 PolarHBondContact O-N 3.06Å; N419-A421 PolarHBondContact O-N 2.99Å
420	I	53.5	Low	71.4	Confident	108 Å²	108	60.8 Å²	60.8	55%	0.554	33%	0.325	S	S	*	.	S	Bend	trans	-75.3	127.4	178.6	-57.7	171.5	0	0	0	107.5	I418 S422	I418-I420 HydrophobicContact CG2-CB 3.69Å; I418-I420 HydrophobicContact CG2-CD1 3.57Å; I418-I420 HydrophobicContact CG2-CG1 3.6Å; I418-I420 PolarHBondContact O-N 2.86Å; I420-S422 PolarHBondContact O-N 2.77Å
421	A	60.4	Low	72	Confident	67 Å²	67	63.4 Å²	63.4	55%	0.554	34%	0.342	S	S	*	.			trans	-10.5	95.1	-177.5	0	0	0	0	0	113.3	N419 K423 F424 M425	N419-A421 PolarHBondContact O-N 2.99Å; A421-K423 CarbonylContact O-C 3.6Å; A421-K423 PolarHBondContact O-N 3.28Å; A421-F424 HydrophobicContact CB-CB 4.21Å; A421-F424 WeakPolarHBondContact O-CA 3.36Å; A421-F424 WeakPolarHBondContact O-CB 3.31Å; A421-F424 PolarHBondContact O-N 3.32Å; A421-M425 PolarHBondContact O-N 3.23Å
422	S	66.4	Low	72.7	Confident	101 Å²	101	64.6 Å²	64.6	71%	0.706	35%	0.348	S	S	*	.	H	α-helix	trans	-46.9	-31.8	-173.1	55.4	0	0	0	0	113.8	I420 G426	I420-S422 PolarHBondContact O-N 2.77Å; S422-G426 PolarHBondContact O-N 3.38Å
423	K	68.9	Low	73.4	Confident	117 Å²	117	65.2 Å²	65.2	51%	0.509	35%	0.348	S	S	.	.	H	α-helix	trans	-68.2	-37.9	176.1	-62	-173.2	175.4	-170.6	0	114.1	A421 G426 I427 L525	A421-K423 CarbonylContact O-C 3.6Å; A421-K423 PolarHBondContact O-N 3.28Å; K423-G426 PolarHBondContact O-N 3.23Å; K423-I427 PolarHBondContact O-N 3.32Å; K423-L525 HydrophobicContact CB-CD1 4.15Å
424	F	75.8	Confident	74.5	Confident	96 Å²	96	64 Å²	64	42%	0.421	34%	0.343	S	S	.	.	H	α-helix	trans	-71	-42.6	176.4	-175.8	-98.2	0	0	0	111.3	A421 G426 I427 C428	A421-F424 HydrophobicContact CB-CB 4.21Å; A421-F424 WeakPolarHBondContact O-CA 3.36Å; A421-F424 WeakPolarHBondContact O-CB 3.31Å; A421-F424 PolarHBondContact O-N 3.32Å; F424-G426 PolarHBondContact O-N 2.94Å; F424-I427 HydrophobicContact CD2-CG2 4.32Å; F424-I427 WeakPolarHBondContact O-CG2 3.45Å; F424-I427 PolarHBondContact O-N 3.16Å; F424-C428 PolarHBondContact O-N 2.94Å
425	M	77.6	Confident	75.6	Confident	45 Å²	45	66.9 Å²	66.9	22%	0.222	36%	0.361	C	S	.	.	H	α-helix	trans	-60.3	-38.1	173.3	-73.6	-58.5	-67.8	0	0	111.7	I418 A421 I427 C428 N429	I418-M425 HydrophobicContact CD1-CE 4.29Å; A421-M425 PolarHBondContact O-N 3.23Å; M425-I427 PolarHBondContact O-N 3.31Å; M425-C428 PolarHBondContact O-N 2.87Å; M425-N429 WeakPolarHBondContact O-CB 3.43Å; M425-N429 VanDerWaalsContact O-CG 3.31Å; M425-N429 PolarHBondContact O-N 3.47Å
426	G	80.2	Confident	76.6	Confident	18 Å²	18	63.5 Å²	63.5	19%	0.186	35%	0.345	C	S	.	.	H	α-helix	trans	-57.4	-43.6	175.1	0	0	0	0	0	114.1	S422 K423 F424 L430	S422-G426 PolarHBondContact O-N 3.38Å; K423-G426 PolarHBondContact O-N 3.23Å; F424-G426 PolarHBondContact O-N 2.94Å; G426-L430 WeakPolarHBondContact O-CB 3.26Å; G426-L430 PolarHBondContact O-N 3Å
427	I	86.1	Confident	77.9	Confident	24 Å²	24	60.8 Å²	60.8	12%	0.123	33%	0.334	C	S	.	.	H	α-helix	trans	-69.6	-39.6	177.9	-167.2	165.8	0	0	0	111.8	K423 F424 M425 L430 V431 F518 A522 L525	K423-I427 PolarHBondContact O-N 3.32Å; F424-I427 HydrophobicContact CD2-CG2 4.32Å; F424-I427 WeakPolarHBondContact O-CG2 3.45Å; F424-I427 PolarHBondContact O-N 3.16Å; M425-I427 PolarHBondContact O-N 3.31Å; I427-L430 PolarHBondContact O-N 3.44Å; I427-V431 WeakPolarHBondContact O-CG2 3.09Å; I427-V431 PolarHBondContact O-N 2.89Å; I427-F518 HydrophobicContact CD1-CE2 4.29Å; I427-F518 HydrophobicContact CG1-CE2 4.4Å; I427-A522 HydrophobicContact CD1-CB 4.29Å; I427-L525 HydrophobicContact CD1-CD2 4.08Å; I427-L525 HydrophobicContact CG2-CD2 3.92Å
428	C	83.8	Confident	79.4	Confident	53 Å²	53	58.5 Å²	58.5	36%	0.358	32%	0.324	S	S	.	.	H	α-helix	trans	-63	-43.9	176.7	-68.3	0	0	0	0	111.5	F424 M425 L430 V431 L432	F424-C428 PolarHBondContact O-N 2.94Å; M425-C428 PolarHBondContact O-N 2.87Å; C428-L430 VanDerWaalsContact C-N 3.32Å; C428-L430 PolarHBondContact O-N 3.29Å; C428-V431 PolarHBondContact O-N 3.29Å; C428-L432 PolarHBondContact O-N 3.5Å
429	N	82	Confident	80.9	Confident	25 Å²	25	56.4 Å²	56.4	13%	0.134	31%	0.313	C	S	.	.	H	α-helix	trans	-62.2	-40.9	176.3	-75	-11.3	0	0	0	111.4	I411 E415 M425 L432 I433	I411-N429 WeakPolarHBondContact CG2-ND2 3.45Å; E415-N429 PolarHBondContact OE1-ND2 3.24Å; M425-N429 WeakPolarHBondContact O-CB 3.43Å; M425-N429 VanDerWaalsContact O-CG 3.31Å; M425-N429 PolarHBondContact O-N 3.47Å; N429-L432 PolarHBondContact O-N 2.86Å; N429-I433 VanDerWaalsContact O-CG1 3.28Å; N429-I433 WeakPolarHBondContact O-CG1 3.42Å; N429-I433 PolarHBondContact O-N 2.84Å
430	L	87.9	Confident	82.6	Confident	19 Å²	19	54.2 Å²	54.2	10%	0.099	30%	0.298	C	S	.	.	H	α-helix	trans	-64.3	-44.8	175.8	-177.9	62.7	0	0	0	112.2	G426 I427 C428 L432 I433 M434 L517 F518 H521	G426-L430 WeakPolarHBondContact O-CB 3.26Å; G426-L430 PolarHBondContact O-N 3Å; I427-L430 PolarHBondContact O-N 3.44Å; C428-L430 VanDerWaalsContact C-N 3.32Å; C428-L430 PolarHBondContact O-N 3.29Å; L430-L432 VanDerWaalsContact C-N 3.31Å; L430-L432 PolarHBondContact O-N 3.46Å; L430-I433 PolarHBondContact O-N 3.28Å; L430-M434 HydrophobicContact CG-SD 4.42Å; L430-M434 WeakPolarHBondContact O-CG 3.32Å; L430-M434 PolarHBondContact O-N 3.2Å; L430-L517 HydrophobicContact CD1-CB 4.34Å; L430-L517 HydrophobicContact CD2-CB 4.34Å; L430-F518 HydrophobicContact CD2-CB 4.2Å; L430-H521 HydrophobicContact CD2-CB 3.89Å
431	V	90.2	Very high	84.5	Confident	58 Å²	58	49.7 Å²	49.7	35%	0.352	28%	0.275	S	S	.	.	H	α-helix	trans	-60.5	-42.8	176.6	171.2	0	0	0	0	110.7	I427 C428 I433 M434 L435 F518	I427-V431 WeakPolarHBondContact O-CG2 3.09Å; I427-V431 PolarHBondContact O-N 2.89Å; C428-V431 PolarHBondContact O-N 3.29Å; V431-I433 PolarHBondContact O-N 3.41Å; V431-M434 WeakPolarHBondContact O-CB 3.5Å; V431-M434 PolarHBondContact O-N 3.39Å; V431-L435 HydrophobicContact CG1-CD1 4.33Å; V431-L435 WeakPolarHBondContact O-CG 3.13Å; V431-L435 PolarHBondContact O-N 3.45Å; V431-F518 HydrophobicContact CG2-CD2 4.25Å; V431-F518 HydrophobicContact CG2-CE2 3.94Å
432	L	86.9	Confident	86.1	Confident	62 Å²	62	46.5 Å²	46.5	33%	0.325	25%	0.248	S	C	.	.	H	α-helix	trans	-61.5	-44.3	176	-179.7	60.7	0	0	0	111.9	M282 C428 N429 L430 M434 L435 I436	M282-L432 HydrophobicContact CE-CD1 4.25Å; M282-L432 HydrophobicContact CE-CD2 3.91Å; M282-L432 HydrophobicContact CE-CG 4.41Å; C428-L432 PolarHBondContact O-N 3.5Å; N429-L432 PolarHBondContact O-N 2.86Å; L430-L432 VanDerWaalsContact C-N 3.31Å; L430-L432 PolarHBondContact O-N 3.46Å; L432-M434 VanDerWaalsContact C-N 3.34Å; L432-M434 PolarHBondContact O-N 2.99Å; L432-L435 PolarHBondContact O-N 2.91Å; L432-I436 HydrophobicContact CD1-CD1 4.17Å; L432-I436 HydrophobicContact CG-CD1 4Å; L432-I436 WeakPolarHBondContact O-CD1 3.26Å; L432-I436 WeakPolarHBondContact O-CG1 3.43Å; L432-I436 PolarHBondContact O-N 3.3Å
433	I	86.7	Confident	87.5	Confident	81 Å²	81	41.9 Å²	41.9	42%	0.415	22%	0.216	S	C	.	.	H	α-helix	trans	-61.7	-42.2	175.4	-70.3	165.9	0	0	0	110.8	N429 L430 V431 L435 I436 L437	N429-I433 VanDerWaalsContact O-CG1 3.28Å; N429-I433 WeakPolarHBondContact O-CG1 3.42Å; N429-I433 PolarHBondContact O-N 2.84Å; L430-I433 PolarHBondContact O-N 3.28Å; V431-I433 PolarHBondContact O-N 3.41Å; I433-L435 PolarHBondContact O-N 3.41Å; I433-I436 PolarHBondContact O-N 3.47Å; I433-L437 HydrophobicContact CG2-CD1 3.79Å; I433-L437 HydrophobicContact CG2-CG 4.2Å; I433-L437 WeakPolarHBondContact O-CB 3.49Å; I433-L437 VanDerWaalsContact O-CG 3.31Å; I433-L437 WeakPolarHBondContact O-CG 3.29Å; I433-L437 PolarHBondContact O-N 3.33Å
434	M	91.4	Very high	88.6	Confident	18 Å²	18	39.8 Å²	39.8	9%	0.089	21%	0.21	C	C	.	.	H	α-helix	trans	-60.6	-43.8	176.3	-73.1	178.6	68.5	0	0	112	L430 V431 L432 L437 G438 M485 C514 F518	L430-M434 HydrophobicContact CG-SD 4.42Å; L430-M434 WeakPolarHBondContact O-CG 3.32Å; L430-M434 PolarHBondContact O-N 3.2Å; V431-M434 WeakPolarHBondContact O-CB 3.5Å; V431-M434 PolarHBondContact O-N 3.39Å; L432-M434 VanDerWaalsContact C-N 3.34Å; L432-M434 PolarHBondContact O-N 2.99Å; M434-L437 PolarHBondContact O-N 2.85Å; M434-G438 PolarHBondContact O-N 3.29Å; M434-M485 HydrophobicContact CB-SD 4.21Å; M434-M485 HydrophobicContact CE-CG 4.42Å; M434-M485 HydrophobicContact CE-SD 4.14Å; M434-M485 WeakPolarHBondContact O-CE 3.42Å; M434-C514 HydrophobicContact CG-CB 4.09Å; M434-F518 HydrophobicContact CE-CB 4.33Å; M434-F518 HydrophobicContact SD-CB 3.76Å; M434-F518 HydrophobicContact SD-CD2 4.12Å; M434-F518 HydrophobicContact SD-CG 4.17Å
435	L	92	Very high	89.4	Confident	110 Å²	110	35.2 Å²	35.2	58%	0.576	19%	0.19	S	C	*	.	H	α-helix	trans	-62.7	-44	177.2	-69.2	173.3	0	0	0	111.8	V431 L432 I433 G438 H439	V431-L435 HydrophobicContact CG1-CD1 4.33Å; V431-L435 WeakPolarHBondContact O-CG 3.13Å; V431-L435 PolarHBondContact O-N 3.45Å; L432-L435 PolarHBondContact O-N 2.91Å; I433-L435 PolarHBondContact O-N 3.41Å; L435-G438 PolarHBondContact O-N 3.48Å; L435-H439 VanDerWaalsContact O-CB 3.27Å; L435-H439 WeakPolarHBondContact O-CB 3.23Å; L435-H439 PolarHBondContact O-N 3.25Å
436	I	90	Very high	90.1	Very high	15 Å²	15	33.2 Å²	33.2	8%	0.077	18%	0.18	C	C	.	.	H	α-helix	trans	-63.5	-45.9	176.8	-68.9	160.8	0	0	0	111	M282 L285 L432 I433 G438 H439 W440	M282-I436 HydrophobicContact CE-CD1 4.31Å; M282-I436 HydrophobicContact SD-CD1 4.14Å; L285-I436 HydrophobicContact CD2-CB 4.33Å; L285-I436 HydrophobicContact CD2-CD1 3.56Å; L285-I436 HydrophobicContact CD2-CG1 3.91Å; L285-I436 HydrophobicContact CD2-CG2 3.46Å; L285-I436 VanDerWaalsContact CD2-CG2 3.46Å; L285-I436 HydrophobicContact CG-CG2 4.03Å; L432-I436 HydrophobicContact CD1-CD1 4.17Å; L432-I436 HydrophobicContact CG-CD1 4Å; L432-I436 WeakPolarHBondContact O-CD1 3.26Å; L432-I436 WeakPolarHBondContact O-CG1 3.43Å; L432-I436 PolarHBondContact O-N 3.3Å; I433-I436 PolarHBondContact O-N 3.47Å; I436-G438 VanDerWaalsContact C-N 3.33Å; I436-G438 PolarHBondContact O-N 2.98Å; I436-H439 WeakPolarHBondContact O-CB 3.47Å; I436-H439 PolarHBondContact O-N 3.01Å; I436-W440 HydrophobicContact CG2-CD2 4.22Å; I436-W440 HydrophobicContact CG2-CZ2 4.4Å; I436-W440 PolarHBondContact O-N 3.45Å
437	L	91.9	Very high	90.6	Very high	60 Å²	60	32.9 Å²	32.9	31%	0.314	17%	0.174	S	C	.	.	H	α-helix	trans	-65.1	-38.6	178.1	-72.5	176.4	0	0	0	111.6	I433 M434 H439 W440 N441 M485 C514	I433-L437 HydrophobicContact CG2-CD1 3.79Å; I433-L437 HydrophobicContact CG2-CG 4.2Å; I433-L437 WeakPolarHBondContact O-CB 3.49Å; I433-L437 VanDerWaalsContact O-CG 3.31Å; I433-L437 WeakPolarHBondContact O-CG 3.29Å; I433-L437 PolarHBondContact O-N 3.33Å; M434-L437 PolarHBondContact O-N 2.85Å; L437-H439 VanDerWaalsContact C-N 3.33Å; L437-W440 HydrophobicContact CD2-CE3 4.39Å; L437-W440 PolarHBondContact O-N 3.14Å; L437-N441 WeakPolarHBondContact O-CB 3.36Å; L437-N441 PolarHBondContact O-N 3.37Å; L437-M485 HydrophobicContact CB-CE 4.32Å; L437-C514 VanDerWaalsContact CD1-SG 3.55Å
438	G	94.1	Very high	90.8	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-64	-42.3	176.1	0	0	0	0	0	111.4	M434 L435 I436 N441 A442 M485	M434-G438 PolarHBondContact O-N 3.29Å; L435-G438 PolarHBondContact O-N 3.48Å; I436-G438 VanDerWaalsContact C-N 3.33Å; I436-G438 PolarHBondContact O-N 2.98Å; G438-N441 PolarHBondContact O-N 2.79Å; G438-A442 WeakPolarHBondContact O-CB 3.37Å; G438-A442 PolarHBondContact O-N 3.43Å; G438-M485 VanDerWaalsContact N-CE 3.31Å
439	H	94.8	Very high	91.1	Very high	11 Å²	11	30.8 Å²	30.8	5%	0.051	16%	0.161	C	C	.	.	H	α-helix	trans	-60.7	-49.2	173	173	68	0	0	0	112.7	I286 V290 L435 I436 L437 N441 A442 C443 Y474	I286-H439 PolarHBondContact O-NE2 3.43Å; V290-H439 WeakPolarHBondContact CG2-CE1 3.45Å; L435-H439 VanDerWaalsContact O-CB 3.27Å; L435-H439 WeakPolarHBondContact O-CB 3.23Å; L435-H439 PolarHBondContact O-N 3.25Å; I436-H439 WeakPolarHBondContact O-CB 3.47Å; I436-H439 PolarHBondContact O-N 3.01Å; L437-H439 VanDerWaalsContact C-N 3.33Å; H439-N441 VanDerWaalsContact C-N 3.34Å; H439-N441 PolarHBondContact O-N 2.86Å; H439-A442 VanDerWaalsContact O-CB 3.31Å; H439-A442 WeakPolarHBondContact O-CB 3.31Å; H439-A442 PolarHBondContact O-N 3.21Å; H439-C443 PolarHBondContact O-N 3.23Å; H439-C443 PolarHBondContact O-SG 2.84Å; H439-Y474 AromaticContact CE1-CE2 3.81Å; H439-Y474 AromaticContact ND1-CE2 3.51Å; H439-Y474 AromaticContact ND1-CZ 3.6Å; H439-Y474 PolarHBondContact ND1-OH 2.97Å
440	W	93.5	Very high	91.4	Very high	50 Å²	50	30.1 Å²	30.1	19%	0.189	16%	0.157	C	C	.	.	H	α-helix	trans	-63.3	-40.6	178.3	-74.4	2.2	0	0	0	113	L285 L401 L404 I436 L437 A442 C443 L444	L285-W440 HydrophobicContact CD1-CH2 4Å; L285-W440 HydrophobicContact CD1-CZ2 3.28Å; L285-W440 HydrophobicContact CD2-CZ2 4.42Å; L285-W440 HydrophobicContact CG-CZ2 3.61Å; L285-W440 PolarHBondContact O-NE1 2.88Å; L401-W440 HydrophobicContact CB-CH2 4.01Å; L401-W440 HydrophobicContact CB-CZ2 4.14Å; L401-W440 HydrophobicContact CD1-CZ2 4.29Å; L401-W440 HydrophobicContact CD2-CH2 4.44Å; L401-W440 HydrophobicContact CD2-CZ2 3.7Å; L401-W440 HydrophobicContact CG-CZ2 4.25Å; L404-W440 HydrophobicContact CB-CH2 4.26Å; L404-W440 HydrophobicContact CD1-CH2 4.47Å; L404-W440 HydrophobicContact CD2-CH2 3.88Å; L404-W440 HydrophobicContact CD2-CZ3 4.02Å; L404-W440 HydrophobicContact CG-CH2 4.44Å; I436-W440 HydrophobicContact CG2-CD2 4.22Å; I436-W440 HydrophobicContact CG2-CZ2 4.4Å; I436-W440 PolarHBondContact O-N 3.45Å; L437-W440 HydrophobicContact CD2-CE3 4.39Å; L437-W440 PolarHBondContact O-N 3.14Å; W440-A442 VanDerWaalsContact C-N 3.32Å; W440-C443 PolarHBondContact O-N 2.74Å; W440-L444 VanDerWaalsContact O-CB 3.32Å; W440-L444 WeakPolarHBondContact O-CB 3.46Å; W440-L444 PolarHBondContact O-N 3.47Å
441	N	94	Very high	91.3	Very high	13 Å²	13	30.9 Å²	30.9	7%	0.07	16%	0.161	C	C	.	.	H	α-helix	trans	-64.3	-39.4	176.6	-168	-14.9	0	0	0	110.7	L437 G438 H439 L444 Q445 A481 S507	L437-N441 WeakPolarHBondContact O-CB 3.36Å; L437-N441 PolarHBondContact O-N 3.37Å; G438-N441 PolarHBondContact O-N 2.79Å; H439-N441 VanDerWaalsContact C-N 3.34Å; H439-N441 PolarHBondContact O-N 2.86Å; N441-L444 PolarHBondContact O-N 3.09Å; N441-Q445 WeakPolarHBondContact O-CB 3.44Å; N441-Q445 WeakPolarHBondContact O-CG 3.4Å; N441-Q445 PolarHBondContact O-N 3.41Å; N441-A481 HydrophobicContact CB-CB 4.05Å; N441-S507 WeakPolarHBondContact ND2-CA 3.11Å; N441-S507 WeakPolarHBondContact ND2-CB 3.35Å; N441-S507 PolarHBondContact ND2-OG 3.27Å; N441-S507 VanDerWaalsContact OD1-CB 3.22Å; N441-S507 WeakPolarHBondContact OD1-CB 3.26Å; N441-S507 PolarHBondContact OD1-OG 2.99Å
442	A	94.8	Very high	91.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-59.3	-51.4	172.3	0	0	0	0	0	112.2	G438 H439 W440 L444 Q445 F446 A477 L478 A481	G438-A442 WeakPolarHBondContact O-CB 3.37Å; G438-A442 PolarHBondContact O-N 3.43Å; H439-A442 VanDerWaalsContact O-CB 3.31Å; H439-A442 WeakPolarHBondContact O-CB 3.31Å; H439-A442 PolarHBondContact O-N 3.21Å; W440-A442 VanDerWaalsContact C-N 3.32Å; A442-L444 VanDerWaalsContact C-N 3.31Å; A442-L444 PolarHBondContact O-N 2.76Å; A442-Q445 PolarHBondContact O-N 2.72Å; A442-F446 PolarHBondContact O-N 2.88Å; A442-A477 HydrophobicContact CB-CB 4.35Å; A442-L478 VanDerWaalsContact CB-CA 3.48Å; A442-L478 HydrophobicContact CB-CB 4.05Å; A442-L478 HydrophobicContact CB-CD1 3.97Å; A442-A481 HydrophobicContact CB-CB 3.91Å
443	C	93.9	Very high	91	Very high	4 Å²	4	34.8 Å²	34.8	3%	0.027	18%	0.178	C	C	.	.	H	α-helix	trans	-60.2	-40.8	177.2	-68.4	0	0	0	0	111.7	P289 H439 W440 F446 L447	P289-C443 HydrophobicContact CB-CB 3.67Å; P289-C443 VanDerWaalsContact CB-SG 3.59Å; H439-C443 PolarHBondContact O-N 3.23Å; H439-C443 PolarHBondContact O-SG 2.84Å; W440-C443 PolarHBondContact O-N 2.74Å; C443-F446 PolarHBondContact O-N 3.49Å; C443-L447 WeakPolarHBondContact O-CB 3.45Å; C443-L447 PolarHBondContact O-N 3.48Å
444	L	92.3	Very high	91.1	Very high	73 Å²	73	33 Å²	33	38%	0.382	17%	0.167	S	C	.	.	H	α-helix	trans	-64.7	-41.9	178	-176.8	63.7	0	0	0	112.4	W440 N441 A442 F446 L447 V448 I503	W440-L444 VanDerWaalsContact O-CB 3.32Å; W440-L444 WeakPolarHBondContact O-CB 3.46Å; W440-L444 PolarHBondContact O-N 3.47Å; N441-L444 PolarHBondContact O-N 3.09Å; A442-L444 VanDerWaalsContact C-N 3.31Å; A442-L444 PolarHBondContact O-N 2.76Å; L444-F446 VanDerWaalsContact C-N 3.25Å; L444-F446 PolarHBondContact O-N 2.95Å; L444-L447 PolarHBondContact O-N 2.67Å; L444-V448 HydrophobicContact CD1-CG2 4.2Å; L444-V448 PolarHBondContact O-N 2.81Å; L444-I503 HydrophobicContact CD2-CG2 4.34Å; L444-I503 HydrophobicContact CG-CG2 4.29Å
445	Q	93.1	Very high	91	Very high	1 Å²	1	34 Å²	34	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-63	-30.6	179.1	-70.4	-86	-5.2	0	0	112.7	N441 A442 P449 W459 I503 S507	N441-Q445 WeakPolarHBondContact O-CB 3.44Å; N441-Q445 WeakPolarHBondContact O-CG 3.4Å; N441-Q445 PolarHBondContact O-N 3.41Å; A442-Q445 PolarHBondContact O-N 2.72Å; Q445-P449 WeakPolarHBondContact O-CD 3.46Å; Q445-P449 WeakPolarHBondContact O-CG 3.39Å; Q445-W459 PolarHBondContact O-NE1 3.26Å; Q445-I503 HydrophobicContact CG-CG2 4.13Å; Q445-S507 PolarHBondContact NE2-OG 3.18Å
446	F	93	Very high	90.9	Very high	3 Å²	3	34.8 Å²	34.8	1%	0.013	19%	0.185	C	C	.	.	H	α-helix	trans	-86.4	-37.4	173.4	-171.1	-92.2	0	0	0	112.7	S293 F294 A442 C443 L444 V448 P449 M450 F454 W459 V460 Q473 A477	S293-F446 WeakPolarHBondContact O-CD1 3.24Å; S293-F446 WeakPolarHBondContact O-CE1 3.47Å; F294-F446 AromaticContact CD1-CD1 3.47Å; F294-F446 HydrophobicContact CD1-CD1 3.47Å; F294-F446 VanDerWaalsContact CD1-CD1 3.47Å; F294-F446 HydrophobicContact CD1-CD2 4.25Å; F294-F446 AromaticContact CD1-CE1 3.48Å; F294-F446 HydrophobicContact CD1-CE1 3.48Å; F294-F446 VanDerWaalsContact CD1-CE1 3.48Å; F294-F446 HydrophobicContact CD1-CE2 4.26Å; F294-F446 AromaticContact CD1-CG 3.88Å; F294-F446 HydrophobicContact CD1-CG 3.88Å; F294-F446 AromaticContact CD1-CZ 3.89Å; F294-F446 HydrophobicContact CD1-CZ 3.89Å; F294-F446 HydrophobicContact CE1-CB 3.77Å; F294-F446 AromaticContact CE1-CD1 3.4Å; F294-F446 HydrophobicContact CE1-CD1 3.4Å; F294-F446 VanDerWaalsContact CE1-CD1 3.4Å; F294-F446 AromaticContact CE1-CD2 3.65Å; F294-F446 HydrophobicContact CE1-CD2 3.65Å; F294-F446 AromaticContact CE1-CE1 3.83Å; F294-F446 HydrophobicContact CE1-CE1 3.83Å; F294-F446 HydrophobicContact CE1-CE2 4.05Å; F294-F446 AromaticContact CE1-CG 3.29Å; F294-F446 HydrophobicContact CE1-CG 3.29Å; F294-F446 HydrophobicContact CE1-CZ 4.13Å; F294-F446 HydrophobicContact CG-CD1 4.24Å; F294-F446 HydrophobicContact CG-CE1 4.31Å; F294-F446 HydrophobicContact CZ-CB 3.84Å; F294-F446 HydrophobicContact CZ-CD1 4.11Å; F294-F446 AromaticContact CZ-CG 3.91Å; F294-F446 HydrophobicContact CZ-CG 3.91Å; A442-F446 PolarHBondContact O-N 2.88Å; C443-F446 PolarHBondContact O-N 3.49Å; L444-F446 VanDerWaalsContact C-N 3.25Å; L444-F446 PolarHBondContact O-N 2.95Å; F446-V448 VanDerWaalsContact C-N 3.34Å; F446-V448 PolarHBondContact O-N 2.84Å; F446-P449 WeakPolarHBondContact O-CD 3.31Å; F446-M450 PolarHBondContact O-N 2.87Å; F446-F454 HydrophobicContact CE1-CE1 4.41Å; F446-F454 HydrophobicContact CE1-CZ 4.29Å; F446-F454 HydrophobicContact CE2-CE1 4.39Å; F446-F454 HydrophobicContact CZ-CE1 4.03Å; F446-F454 HydrophobicContact CZ-CZ 4.05Å; F446-W459 HydrophobicContact CB-CZ2 4.28Å; F446-W459 HydrophobicContact CD2-CH2 4.12Å; F446-W459 HydrophobicContact CD2-CZ2 4.12Å; F446-V460 HydrophobicContact CD2-CG2 3.94Å; F446-V460 HydrophobicContact CE2-CG1 3.86Å; F446-V460 HydrophobicContact CE2-CG2 4.09Å; F446-Q473 HydrophobicContact CD2-CB 4.35Å; F446-Q473 HydrophobicContact CE2-CB 3.78Å; F446-Q473 HydrophobicContact CE2-CG 4.02Å; F446-Q473 HydrophobicContact CZ-CB 4.13Å; F446-Q473 HydrophobicContact CZ-CG 4.19Å; F446-Q473 VanDerWaalsContact CZ-OE1 3.27Å; F446-A477 HydrophobicContact CB-CB 4.24Å
447	L	90.5	Very high	90.9	Very high	10 Å²	10	38.8 Å²	38.8	5%	0.052	21%	0.206	C	C	.	.	H	α-helix	trans	-58.5	-41.2	-179.2	176.5	60.4	0	0	0	112.4	I292 L398 C443 L444 M450 L451	I292-L447 HydrophobicContact CG2-CD1 4.2Å; L398-L447 HydrophobicContact CD1-CD2 4.16Å; C443-L447 WeakPolarHBondContact O-CB 3.45Å; C443-L447 PolarHBondContact O-N 3.48Å; L444-L447 PolarHBondContact O-N 2.67Å; L447-M450 HydrophobicContact CD1-CE 3.38Å; L447-M450 HydrophobicContact CD1-SD 4.47Å; L447-M450 WeakPolarHBondContact O-CB 3.33Å; L447-M450 PolarHBondContact O-N 3.38Å; L447-L451 HydrophobicContact CD1-CD1 4.1Å; L447-L451 HydrophobicContact CD1-CD2 4.39Å; L447-L451 HydrophobicContact CD1-CG 3.98Å; L447-L451 HydrophobicContact CG-CD1 3.99Å; L447-L451 HydrophobicContact CG-CG 4.3Å; L447-L451 WeakPolarHBondContact O-CG 3.47Å; L447-L451 PolarHBondContact O-N 3.04Å
448	V	90.3	Very high	90.9	Very high	30 Å²	30	35.9 Å²	35.9	18%	0.182	19%	0.191	C	C	.	.	H	α-helix	trans	-69.5	-48.2	-176.3	176.9	0	0	0	0	113.4	L444 F446 M450 L451 M452 P499 I503	L444-V448 HydrophobicContact CD1-CG2 4.2Å; L444-V448 PolarHBondContact O-N 2.81Å; F446-V448 VanDerWaalsContact C-N 3.34Å; F446-V448 PolarHBondContact O-N 2.84Å; V448-M450 PolarHBondContact O-N 2.91Å; V448-L451 PolarHBondContact O-N 3.48Å; V448-L451 VanDerWaalsContact O-N 3.16Å; V448-M452 HydrophobicContact CG1-SD 4.32Å; V448-M452 WeakPolarHBondContact O-CG 3.37Å; V448-M452 PolarHBondContact O-N 2.98Å; V448-M452 VanDerWaalsContact O-N 3.13Å; V448-P499 HydrophobicContact CG1-CB 4.29Å; V448-I503 HydrophobicContact CB-CD1 3.32Å; V448-I503 HydrophobicContact CG1-CD1 3.55Å; V448-I503 HydrophobicContact CG2-CD1 3.33Å; V448-I503 HydrophobicContact CG2-CG1 4.33Å
449	P	90.5	Very high	90.8	Very high	3 Å²	3	36.6 Å²	36.6	2%	0.019	19%	0.194	C	C	.	.	H	α-helix	trans	-53.8	-38.7	169.1	-27.8	34.6	0	0	0	112.9	Q445 F446 M452 D453 F454 V460	Q445-P449 WeakPolarHBondContact O-CD 3.46Å; Q445-P449 WeakPolarHBondContact O-CG 3.39Å; F446-P449 WeakPolarHBondContact O-CD 3.31Å; P449-M452 CarbonylContact O-C 3.44Å; P449-M452 PolarHBondContact O-N 3.48Å; P449-D453 PolarHBondContact O-N 3.39Å; P449-F454 HydrophobicContact CB-CD1 4.06Å; P449-F454 HydrophobicContact CB-CE1 4.41Å; P449-F454 WeakPolarHBondContact O-CA 3.34Å; P449-F454 PolarHBondContact O-N 3.4Å; P449-V460 HydrophobicContact CB-CG2 3.95Å; P449-V460 HydrophobicContact CG-CG2 4.11Å
450	M	87.7	Confident	90.7	Very high	11 Å²	11	36.1 Å²	36.1	5%	0.054	19%	0.191	C	C	.	.	H	α-helix	trans	-64.2	-43.6	176.2	178.3	-89.8	-83.4	0	0	112.4	I292 S293 N296 K394 F446 L447 V448 M452 D453 F454	I292-M450 WeakPolarHBondContact O-CE 3.33Å; S293-M450 WeakPolarHBondContact O-CE 3.49Å; N296-M450 PolarHBondContact OD1-SD 3.34Å; K394-M450 HydrophobicContact CD-CE 4.31Å; F446-M450 PolarHBondContact O-N 2.87Å; L447-M450 HydrophobicContact CD1-CE 3.38Å; L447-M450 HydrophobicContact CD1-SD 4.47Å; L447-M450 WeakPolarHBondContact O-CB 3.33Å; L447-M450 PolarHBondContact O-N 3.38Å; V448-M450 PolarHBondContact O-N 2.91Å; M450-M452 PolarHBondContact O-N 3.25Å; M450-D453 PolarHBondContact O-N 2.97Å; M450-D453 VanDerWaalsContact O-N 3.13Å; M450-F454 HydrophobicContact CB-CE1 3.87Å; M450-F454 HydrophobicContact CB-CE2 4.38Å; M450-F454 HydrophobicContact CB-CZ 3.65Å; M450-F454 HydrophobicContact CG-CE2 4.33Å; M450-F454 HydrophobicContact CG-CZ 3.92Å
451	L	85.3	Confident	90.6	Very high	35 Å²	35	34.7 Å²	34.7	18%	0.183	19%	0.189	C	C	.	.	H	α-helix	trans	-65.3	-24.7	177.4	-71.4	173.7	0	0	0	113.2	R391 L395 L447 V448 D453	R391-L451 HydrophobicContact CB-CD2 4.05Å; R391-L451 HydrophobicContact CG-CD2 3.81Å; R391-L451 PolarHBondContact NH1-O 3.31Å; L395-L451 HydrophobicContact CD2-CD1 3.99Å; L447-L451 HydrophobicContact CD1-CD1 4.1Å; L447-L451 HydrophobicContact CD1-CD2 4.39Å; L447-L451 HydrophobicContact CD1-CG 3.98Å; L447-L451 HydrophobicContact CG-CD1 3.99Å; L447-L451 HydrophobicContact CG-CG 4.3Å; L447-L451 WeakPolarHBondContact O-CG 3.47Å; L447-L451 PolarHBondContact O-N 3.04Å; V448-L451 PolarHBondContact O-N 3.48Å; V448-L451 VanDerWaalsContact O-N 3.16Å; L451-D453 VanDerWaalsContact C-N 3.34Å
452	M	86.5	Confident	90.5	Very high	93 Å²	93	37.6 Å²	37.6	46%	0.458	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	12.7	176.7	-65.3	-172.5	71.9	0	0	113.6	V448 P449 M450 F454 P455 P499	V448-M452 HydrophobicContact CG1-SD 4.32Å; V448-M452 WeakPolarHBondContact O-CG 3.37Å; V448-M452 PolarHBondContact O-N 2.98Å; V448-M452 VanDerWaalsContact O-N 3.13Å; P449-M452 CarbonylContact O-C 3.44Å; P449-M452 PolarHBondContact O-N 3.48Å; M450-M452 PolarHBondContact O-N 3.25Å; M452-F454 VanDerWaalsContact C-N 3.27Å; M452-F454 PolarHBondContact O-N 3.49Å; M452-P455 HydrophobicContact CB-CG 4.41Å; M452-P499 HydrophobicContact CE-CG 4Å; M452-P499 HydrophobicContact SD-CB 3.95Å; M452-P499 HydrophobicContact SD-CG 3.71Å
453	D	84.9	Confident	90.3	Very high	110 Å²	110	38.9 Å²	38.9	59%	0.588	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.1	37.6	-179.7	-55.1	-52.5	0	0	0	112.6	R391 P449 M450 L451	R391-D453 IonicContact CZ-OD2 3.98Å; R391-D453 IonicContact NH1-OD1 3.57Å; R391-D453 IonicContact NH1-OD2 2.7Å; R391-D453 PolarHBondContact NH1-OD2 3.39Å; R391-D453 IonicContact NH2-OD2 3.77Å; P449-D453 PolarHBondContact O-N 3.39Å; M450-D453 PolarHBondContact O-N 2.97Å; M450-D453 VanDerWaalsContact O-N 3.13Å; L451-D453 VanDerWaalsContact C-N 3.34Å
454	F	88.2	Confident	90.1	Very high	42 Å²	42	49.4 Å²	49.4	18%	0.184	25%	0.251	C	S	.	.			trans	49.1	74.2	176.7	-58	-71.5	0	0	0	115.1	F446 P449 M450 M452 V460 S461 Q466	F446-F454 HydrophobicContact CE1-CE1 4.41Å; F446-F454 HydrophobicContact CE1-CZ 4.29Å; F446-F454 HydrophobicContact CE2-CE1 4.39Å; F446-F454 HydrophobicContact CZ-CE1 4.03Å; F446-F454 HydrophobicContact CZ-CZ 4.05Å; P449-F454 HydrophobicContact CB-CD1 4.06Å; P449-F454 HydrophobicContact CB-CE1 4.41Å; P449-F454 WeakPolarHBondContact O-CA 3.34Å; P449-F454 PolarHBondContact O-N 3.4Å; M450-F454 HydrophobicContact CB-CE1 3.87Å; M450-F454 HydrophobicContact CB-CE2 4.38Å; M450-F454 HydrophobicContact CB-CZ 3.65Å; M450-F454 HydrophobicContact CG-CE2 4.33Å; M450-F454 HydrophobicContact CG-CZ 3.92Å; M452-F454 VanDerWaalsContact C-N 3.27Å; M452-F454 PolarHBondContact O-N 3.49Å; F454-V460 HydrophobicContact CD1-CB 4.18Å; F454-V460 HydrophobicContact CD1-CG1 3.95Å; F454-V460 HydrophobicContact CE1-CB 4.46Å; F454-V460 HydrophobicContact CE1-CG1 3.95Å; F454-S461 PolarHBondContact O-OG 3.24Å; F454-Q466 HydrophobicContact CB-CG 4.31Å; F454-Q466 HydrophobicContact CG-CG 4.28Å
455	P	90	Very high	90	Very high	41 Å²	41	46.3 Å²	46.3	27%	0.266	24%	0.235	S	C	.	.			trans	-58.2	148.8	178.9	21.3	-27.6	0	0	0	111.3	M452 D457 S458 S461	M452-P455 HydrophobicContact CB-CG 4.41Å; P455-D457 PolarHBondContact O-N 2.96Å; P455-D457 VanDerWaalsContact O-N 3.16Å; P455-S458 VanDerWaalsContact O-CB 3.25Å; P455-S458 WeakPolarHBondContact O-CB 3.49Å; P455-S458 PolarHBondContact O-N 3.29Å; P455-S458 PolarHBondContact O-OG 3.01Å; P455-S461 WeakPolarHBondContact O-CB 3.35Å; P455-S461 PolarHBondContact O-OG 2.97Å
456	V	90.3	Very high	89.7	Confident	126 Å²	126	50 Å²	50	76%	0.764	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-34.3	-174.2	-168.2	0	0	0	0	111.8	S458 S461	V456-S458 VanDerWaalsContact C-N 3.29Å; V456-S458 PolarHBondContact O-N 2.9Å; V456-S461 WeakPolarHBondContact O-CB 3.39Å
457	D	89.9	Confident	89.4	Confident	98 Å²	98	57.4 Å²	57.4	52%	0.524	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-3.4	178.6	-67	-48.4	0	0	0	114.7	P455 K462 T497	P455-D457 PolarHBondContact O-N 2.96Å; P455-D457 VanDerWaalsContact O-N 3.16Å; D457-K462 VanDerWaalsContact O-CE 3.22Å; D457-K462 WeakPolarHBondContact O-CE 3.48Å; D457-T497 HydrophobicContact CB-CG2 3.69Å
458	S	91.4	Very high	89.4	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.298	C	S	.	.	S	Bend	trans	-67.6	152.7	-179.2	71.4	0	0	0	0	112.4	P455 V456 V460 S461 K462 E500	P455-S458 VanDerWaalsContact O-CB 3.25Å; P455-S458 WeakPolarHBondContact O-CB 3.49Å; P455-S458 PolarHBondContact O-N 3.29Å; P455-S458 PolarHBondContact O-OG 3.01Å; V456-S458 VanDerWaalsContact C-N 3.29Å; V456-S458 PolarHBondContact O-N 2.9Å; S458-V460 PolarHBondContact O-N 3.19Å; S458-S461 PolarHBondContact O-N 3.23Å; S458-S461 WeakPolarHBondContact OG-CB 3.2Å; S458-S461 PolarHBondContact OG-N 3.48Å; S458-S461 VanDerWaalsContact OG-N 3.17Å; S458-S461 PolarHBondContact OG-OG 2.87Å; S458-K462 WeakPolarHBondContact O-CB 3.37Å; S458-K462 WeakPolarHBondContact O-CG 3.06Å; S458-K462 PolarHBondContact O-N 2.78Å; S458-E500 WeakPolarHBondContact CA-OE1 3.48Å; S458-E500 WeakPolarHBondContact CB-OE1 3.35Å
459	W	92.5	Very high	89.4	Confident	15 Å²	15	63.9 Å²	63.9	6%	0.057	32%	0.318	C	S	.	.	H	α-helix	trans	-59.4	-32.6	176.7	74.9	-94.6	0	0	0	112	Q445 F446 A463 L465 W476 A477 K480 E500	Q445-W459 PolarHBondContact O-NE1 3.26Å; F446-W459 HydrophobicContact CB-CZ2 4.28Å; F446-W459 HydrophobicContact CD2-CH2 4.12Å; F446-W459 HydrophobicContact CD2-CZ2 4.12Å; W459-A463 WeakPolarHBondContact O-CB 3.45Å; W459-A463 PolarHBondContact O-N 3Å; W459-L465 HydrophobicContact CZ3-CD1 3.85Å; W459-W476 HydrophobicContact CZ3-CB 4.5Å; W459-A477 HydrophobicContact CH2-CB 3.9Å; W459-A477 HydrophobicContact CZ2-CB 4.3Å; W459-K480 HydrophobicContact CD2-CD 4.24Å; W459-E500 PolarHBondContact N-OE1 2.95Å
460	V	92.7	Very high	89.4	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-68	-47	177.4	-176.4	0	0	0	0	110.8	F446 P449 F454 S458 A463 R464 L465 Q466	F446-V460 HydrophobicContact CD2-CG2 3.94Å; F446-V460 HydrophobicContact CE2-CG1 3.86Å; F446-V460 HydrophobicContact CE2-CG2 4.09Å; P449-V460 HydrophobicContact CB-CG2 3.95Å; P449-V460 HydrophobicContact CG-CG2 4.11Å; F454-V460 HydrophobicContact CD1-CB 4.18Å; F454-V460 HydrophobicContact CD1-CG1 3.95Å; F454-V460 HydrophobicContact CE1-CB 4.46Å; F454-V460 HydrophobicContact CE1-CG1 3.95Å; S458-V460 PolarHBondContact O-N 3.19Å; V460-A463 PolarHBondContact O-N 2.91Å; V460-R464 PolarHBondContact O-N 3.39Å; V460-R464 VanDerWaalsContact O-N 3.17Å; V460-L465 HydrophobicContact CG1-CB 4.03Å; V460-L465 PolarHBondContact O-N 3.34Å; V460-Q466 HydrophobicContact CG1-CG 4.12Å
461	S	91.4	Very high	89.6	Confident	20 Å²	20	72.2 Å²	72.2	14%	0.14	35%	0.352	C	S	.	.	H	α-helix	trans	-64.8	-44.6	177.5	-57.5	0	0	0	0	111.6	F454 P455 V456 S458 A463 R464 Q466	F454-S461 PolarHBondContact O-OG 3.24Å; P455-S461 WeakPolarHBondContact O-CB 3.35Å; P455-S461 PolarHBondContact O-OG 2.97Å; V456-S461 WeakPolarHBondContact O-CB 3.39Å; S458-S461 PolarHBondContact O-N 3.23Å; S458-S461 WeakPolarHBondContact OG-CB 3.2Å; S458-S461 PolarHBondContact OG-N 3.48Å; S458-S461 VanDerWaalsContact OG-N 3.17Å; S458-S461 PolarHBondContact OG-OG 2.87Å; S461-A463 VanDerWaalsContact C-N 3.3Å; S461-A463 PolarHBondContact O-N 3.01Å; S461-R464 PolarHBondContact O-N 3.41Å; S461-Q466 PolarHBondContact OG-NE2 3.39Å
462	K	90.7	Very high	90	Very high	75 Å²	75	75 Å²	75	33%	0.326	36%	0.364	S	S	.	.	H	α-helix	trans	-64.1	-33.2	177.1	-71.6	-177.3	179.8	-173.6	0	113.1	D457 S458 R464 Y493 S496	D457-K462 VanDerWaalsContact O-CE 3.22Å; D457-K462 WeakPolarHBondContact O-CE 3.48Å; S458-K462 WeakPolarHBondContact O-CB 3.37Å; S458-K462 WeakPolarHBondContact O-CG 3.06Å; S458-K462 PolarHBondContact O-N 2.78Å; K462-R464 VanDerWaalsContact C-N 3.28Å; K462-Y493 HydrophobicContact CB-CD2 3.97Å; K462-Y493 HydrophobicContact CB-CE2 3.96Å; K462-Y493 HydrophobicContact CB-CG 4.46Å; K462-Y493 PolarHBondContact O-OH 3.29Å; K462-S496 PolarHBondContact NZ-OG 3.39Å
463	A	90.7	Very high	90.3	Very high	27 Å²	27	71.2 Å²	71.2	22%	0.223	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-4.4	174.3	0	0	0	0	0	113.7	W459 V460 S461 L465 Y493	W459-A463 WeakPolarHBondContact O-CB 3.45Å; W459-A463 PolarHBondContact O-N 3Å; V460-A463 PolarHBondContact O-N 2.91Å; S461-A463 VanDerWaalsContact C-N 3.3Å; S461-A463 PolarHBondContact O-N 3.01Å; A463-L465 HydrophobicContact CB-CB 4.48Å; A463-L465 HydrophobicContact CB-CD1 3.63Å; A463-L465 HydrophobicContact CB-CG 3.76Å; A463-L465 PolarHBondContact O-N 3.17Å; A463-Y493 HydrophobicContact CB-CE2 4.09Å
464	R	90.3	Very high	90.8	Very high	224 Å²	224	67.9 Å²	67.9	85%	0.845	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	33	-174	-56.6	-178.1	-179.3	175	-0.2	113.3	V460 S461 K462	V460-R464 PolarHBondContact O-N 3.39Å; V460-R464 VanDerWaalsContact O-N 3.17Å; S461-R464 PolarHBondContact O-N 3.41Å; K462-R464 VanDerWaalsContact C-N 3.28Å
465	L	90.4	Very high	91.1	Very high	8 Å²	8	68.9 Å²	68.9	4%	0.042	33%	0.334	C	S	.	.			trans	-88.1	-6.3	-176.2	-73.8	170.9	0	0	0	113.8	W459 V460 A463 N467 A468 E472 Q473 W476	W459-L465 HydrophobicContact CZ3-CD1 3.85Å; V460-L465 HydrophobicContact CG1-CB 4.03Å; V460-L465 PolarHBondContact O-N 3.34Å; A463-L465 HydrophobicContact CB-CB 4.48Å; A463-L465 HydrophobicContact CB-CD1 3.63Å; A463-L465 HydrophobicContact CB-CG 3.76Å; A463-L465 PolarHBondContact O-N 3.17Å; L465-N467 VanDerWaalsContact C-N 3.29Å; L465-N467 PolarHBondContact O-N 3.46Å; L465-A468 HydrophobicContact CD2-CB 3.99Å; L465-A468 WeakPolarHBondContact O-CB 3.47Å; L465-A468 PolarHBondContact O-N 3.12Å; L465-A468 VanDerWaalsContact O-N 3.12Å; L465-E472 HydrophobicContact CD2-CG 4.1Å; L465-Q473 WeakPolarHBondContact O-CG 3.22Å; L465-Q473 PolarHBondContact O-NE2 3.29Å; L465-W476 HydrophobicContact CD1-CB 3.77Å; L465-W476 HydrophobicContact CD1-CG 3.98Å; L465-W476 HydrophobicContact CD2-CG 4.5Å
466	Q	87.2	Confident	91.4	Very high	78 Å²	78	71.6 Å²	71.6	36%	0.364	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-41.8	-174.9	-64.8	178.6	-11.2	0	0	113.4	F454 V460 S461 Q473	F454-Q466 HydrophobicContact CB-CG 4.31Å; F454-Q466 HydrophobicContact CG-CG 4.28Å; V460-Q466 HydrophobicContact CG1-CG 4.12Å; S461-Q466 PolarHBondContact OG-NE2 3.39Å; Q466-Q473 PolarHBondContact O-NE2 3.45Å
467	N	86.3	Confident	91.6	Very high	159 Å²	159	65.6 Å²	65.6	85%	0.85	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	6.1	-178	-60	-26.8	0	0	0	113	L465	L465-N467 VanDerWaalsContact C-N 3.29Å; L465-N467 PolarHBondContact O-N 3.46Å
468	A	89.5	Confident	91.9	Very high	23 Å²	23	63 Å²	63	19%	0.19	29%	0.288	C	S	.	.	S	Bend	trans	-71.8	158.3	178.2	0	0	0	0	0	110.8	L465 W470 E472 Q473	L465-A468 HydrophobicContact CD2-CB 3.99Å; L465-A468 WeakPolarHBondContact O-CB 3.47Å; L465-A468 PolarHBondContact O-N 3.12Å; L465-A468 VanDerWaalsContact O-N 3.12Å; A468-W470 PolarHBondContact O-N 3.44Å; A468-E472 HydrophobicContact CB-CB 4.35Å; A468-E472 HydrophobicContact CB-CG 4.42Å; A468-Q473 HydrophobicContact CB-CG 4.18Å; A468-Q473 PolarHBondContact O-NE2 3.08Å
469	Y	91	Very high	92	Very high	154 Å²	154	68 Å²	68	60%	0.604	31%	0.31	S	S	*	.			trans	-59.1	140.5	174.7	-177.5	-118.6	0	0	0	110.4	F471 E472 Q473	Y469-F471 HydrophobicContact CD1-CB 3.56Å; Y469-F471 HydrophobicContact CE1-CB 3.48Å; Y469-F471 VanDerWaalsContact CE1-CB 3.48Å; Y469-F471 PolarHBondContact O-N 2.89Å; Y469-E472 WeakPolarHBondContact O-CA 3.45Å; Y469-E472 WeakPolarHBondContact O-CB 3.48Å; Y469-E472 PolarHBondContact O-N 2.72Å; Y469-Q473 PolarHBondContact O-N 3.29Å; Y469-Q473 VanDerWaalsContact O-N 3.16Å
470	W	89.6	Confident	92.1	Very high	79 Å²	79	67.6 Å²	67.6	30%	0.299	31%	0.309	S	S	.	.	H	α-helix	trans	-53.3	-34.4	-172.7	71.5	-92.4	0	0	0	113.3	V290 F294 F295 A468 E472 Q473 Y474	V290-W470 HydrophobicContact CG1-CE3 4.14Å; V290-W470 HydrophobicContact CG1-CZ3 3.94Å; F294-W470 HydrophobicContact CB-CB 4.1Å; F295-W470 HydrophobicContact CE2-CD2 4.11Å; F295-W470 HydrophobicContact CE2-CE3 4.34Å; F295-W470 HydrophobicContact CE2-CG 4.19Å; F295-W470 AromaticContact CZ-CD1 3.98Å; F295-W470 AromaticContact CZ-CD2 4Å; F295-W470 HydrophobicContact CZ-CD2 4Å; F295-W470 AromaticContact CZ-CG 3.96Å; F295-W470 HydrophobicContact CZ-CG 3.96Å; A468-W470 PolarHBondContact O-N 3.44Å; W470-E472 VanDerWaalsContact C-N 3.35Å; W470-Q473 WeakPolarHBondContact O-CB 3.48Å; W470-Q473 PolarHBondContact O-N 2.82Å; W470-Y474 WeakPolarHBondContact O-CB 3.31Å; W470-Y474 PolarHBondContact O-N 2.91Å
471	F	92.8	Very high	92.3	Very high	110 Å²	110	67.6 Å²	67.6	48%	0.482	31%	0.309	S	S	.	.	H	α-helix	trans	-68.3	-34.7	178.6	-174.9	-101.4	0	0	0	112.2	Y469 T475	Y469-F471 HydrophobicContact CD1-CB 3.56Å; Y469-F471 HydrophobicContact CE1-CB 3.48Å; Y469-F471 VanDerWaalsContact CE1-CB 3.48Å; Y469-F471 PolarHBondContact O-N 2.89Å; F471-T475 WeakPolarHBondContact O-CB 3.41Å; F471-T475 PolarHBondContact O-N 3.4Å; F471-T475 PolarHBondContact O-OG1 3.5Å
472	E	93.8	Very high	92.4	Very high	94 Å²	94	69.4 Å²	69.4	44%	0.439	32%	0.317	S	S	.	.	H	α-helix	trans	-68.2	-43.6	174.2	-174	177.4	-179.7	0	0	110.7	L465 A468 Y469 W470 Y474 T475 W476	L465-E472 HydrophobicContact CD2-CG 4.1Å; A468-E472 HydrophobicContact CB-CB 4.35Å; A468-E472 HydrophobicContact CB-CG 4.42Å; Y469-E472 WeakPolarHBondContact O-CA 3.45Å; Y469-E472 WeakPolarHBondContact O-CB 3.48Å; Y469-E472 PolarHBondContact O-N 2.72Å; W470-E472 VanDerWaalsContact C-N 3.35Å; E472-Y474 VanDerWaalsContact C-N 3.35Å; E472-Y474 PolarHBondContact O-N 3.33Å; E472-T475 PolarHBondContact O-N 3.45Å; E472-W476 VanDerWaalsContact O-CD1 3.25Å; E472-W476 PolarHBondContact O-N 3.16Å; E472-W476 VanDerWaalsContact O-N 3.12Å
473	Q	93.5	Very high	92.7	Very high	13 Å²	13	66 Å²	66	6%	0.061	30%	0.303	C	S	.	.	H	α-helix	trans	-57.8	-47.7	173.7	-62.7	176.4	-19.4	0	0	111.4	F294 F446 L465 Q466 A468 Y469 W470 A477	F294-Q473 HydrophobicContact CD1-CB 3.7Å; F294-Q473 HydrophobicContact CE1-CB 3.66Å; F446-Q473 HydrophobicContact CD2-CB 4.35Å; F446-Q473 HydrophobicContact CE2-CB 3.78Å; F446-Q473 HydrophobicContact CE2-CG 4.02Å; F446-Q473 HydrophobicContact CZ-CB 4.13Å; F446-Q473 HydrophobicContact CZ-CG 4.19Å; F446-Q473 VanDerWaalsContact CZ-OE1 3.27Å; L465-Q473 WeakPolarHBondContact O-CG 3.22Å; L465-Q473 PolarHBondContact O-NE2 3.29Å; Q466-Q473 PolarHBondContact O-NE2 3.45Å; A468-Q473 HydrophobicContact CB-CG 4.18Å; A468-Q473 PolarHBondContact O-NE2 3.08Å; Y469-Q473 PolarHBondContact O-N 3.29Å; Y469-Q473 VanDerWaalsContact O-N 3.16Å; W470-Q473 WeakPolarHBondContact O-CB 3.48Å; W470-Q473 PolarHBondContact O-N 2.82Å; Q473-A477 WeakPolarHBondContact O-CB 3.28Å; Q473-A477 PolarHBondContact O-N 3.06Å
474	Y	95	Very high	92.9	Very high	40 Å²	40	65 Å²	65	16%	0.157	29%	0.294	C	S	.	.	H	α-helix	trans	-61.9	-43.5	177.2	172.8	-107.4	0	0	0	112.3	V290 F294 H439 W470 E472 W476 A477 L478	V290-Y474 HydrophobicContact CG2-CE2 4.46Å; F294-Y474 AromaticContact CE2-CD2 3.63Å; F294-Y474 HydrophobicContact CE2-CD2 3.63Å; F294-Y474 HydrophobicContact CE2-CG 4.22Å; F294-Y474 VanDerWaalsContact CZ-CA 3.44Å; F294-Y474 AromaticContact CZ-CD2 3.91Å; F294-Y474 HydrophobicContact CZ-CD2 3.91Å; F294-Y474 HydrophobicContact CZ-CG 4.35Å; H439-Y474 AromaticContact CE1-CE2 3.81Å; H439-Y474 AromaticContact ND1-CE2 3.51Å; H439-Y474 AromaticContact ND1-CZ 3.6Å; H439-Y474 PolarHBondContact ND1-OH 2.97Å; W470-Y474 WeakPolarHBondContact O-CB 3.31Å; W470-Y474 PolarHBondContact O-N 2.91Å; E472-Y474 VanDerWaalsContact C-N 3.35Å; E472-Y474 PolarHBondContact O-N 3.33Å; Y474-W476 PolarHBondContact O-N 2.96Å; Y474-A477 PolarHBondContact O-N 3.06Å; Y474-L478 HydrophobicContact CE1-CD2 4.03Å; Y474-L478 VanDerWaalsContact O-CB 3.26Å; Y474-L478 WeakPolarHBondContact O-CB 3.43Å; Y474-L478 PolarHBondContact O-N 3.27Å
475	T	95	Very high	93.1	Very high	62 Å²	62	54.7 Å²	54.7	38%	0.38	26%	0.255	S	S	.	.	H	α-helix	trans	-61	-45.9	-179	-61.7	0	0	0	0	111.4	F471 E472 L478 F479	F471-T475 WeakPolarHBondContact O-CB 3.41Å; F471-T475 PolarHBondContact O-N 3.4Å; F471-T475 PolarHBondContact O-OG1 3.5Å; E472-T475 PolarHBondContact O-N 3.45Å; T475-L478 PolarHBondContact O-N 3.49Å; T475-F479 WeakPolarHBondContact O-CB 3.45Å; T475-F479 PolarHBondContact O-N 2.82Å
476	W	95	Very high	93.3	Very high	98 Å²	98	58.2 Å²	58.2	37%	0.371	27%	0.273	S	S	.	.	H	α-helix	trans	-69.5	-36.3	176.8	-74	112.5	0	0	0	112.9	W459 L465 E472 Y474 F479 K480	W459-W476 HydrophobicContact CZ3-CB 4.5Å; L465-W476 HydrophobicContact CD1-CB 3.77Å; L465-W476 HydrophobicContact CD1-CG 3.98Å; L465-W476 HydrophobicContact CD2-CG 4.5Å; E472-W476 VanDerWaalsContact O-CD1 3.25Å; E472-W476 PolarHBondContact O-N 3.16Å; E472-W476 VanDerWaalsContact O-N 3.12Å; Y474-W476 PolarHBondContact O-N 2.96Å; W476-F479 HydrophobicContact CE3-CD1 4.09Å; W476-F479 HydrophobicContact CZ3-CD1 4.15Å; W476-F479 HydrophobicContact CZ3-CE1 4.44Å; W476-F479 PolarHBondContact O-N 3.39Å; W476-K480 WeakPolarHBondContact O-CB 3.22Å; W476-K480 PolarHBondContact O-N 3.1Å
477	A	94.9	Very high	93.6	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-63.9	-41.4	173.5	0	0	0	0	0	111.7	F294 A442 F446 W459 Q473 Y474 K480 A481	F294-A477 HydrophobicContact CZ-CB 4.22Å; A442-A477 HydrophobicContact CB-CB 4.35Å; F446-A477 HydrophobicContact CB-CB 4.24Å; W459-A477 HydrophobicContact CH2-CB 3.9Å; W459-A477 HydrophobicContact CZ2-CB 4.3Å; Q473-A477 WeakPolarHBondContact O-CB 3.28Å; Q473-A477 PolarHBondContact O-N 3.06Å; Y474-A477 PolarHBondContact O-N 3.06Å; A477-K480 PolarHBondContact O-N 3.31Å; A477-A481 WeakPolarHBondContact O-CB 3.08Å; A477-A481 PolarHBondContact O-N 3.46Å
478	L	95.3	Very high	94	Very high	43 Å²	43	56.9 Å²	56.9	23%	0.225	27%	0.274	C	S	.	.	H	α-helix	trans	-66.7	-44.3	176.7	-176.3	66.4	0	0	0	111.2	A442 Y474 T475 K480 A481 L482	A442-L478 VanDerWaalsContact CB-CA 3.48Å; A442-L478 HydrophobicContact CB-CB 4.05Å; A442-L478 HydrophobicContact CB-CD1 3.97Å; Y474-L478 HydrophobicContact CE1-CD2 4.03Å; Y474-L478 VanDerWaalsContact O-CB 3.26Å; Y474-L478 WeakPolarHBondContact O-CB 3.43Å; Y474-L478 PolarHBondContact O-N 3.27Å; T475-L478 PolarHBondContact O-N 3.49Å; L478-K480 VanDerWaalsContact C-N 3.31Å; L478-K480 PolarHBondContact O-N 3.44Å; L478-A481 PolarHBondContact O-N 2.87Å; L478-L482 HydrophobicContact CD1-CD1 4.1Å; L478-L482 HydrophobicContact CD1-CG 4.07Å; L478-L482 HydrophobicContact CD2-CD1 4.41Å; L478-L482 HydrophobicContact CG-CD1 3.86Å; L478-L482 HydrophobicContact CG-CG 4.22Å; L478-L482 WeakPolarHBondContact O-CB 3.49Å; L478-L482 WeakPolarHBondContact O-CG 3.41Å; L478-L482 PolarHBondContact O-N 3.02Å
479	F	95.1	Very high	94.1	Very high	105 Å²	105	57.2 Å²	57.2	46%	0.461	28%	0.28	S	S	.	.	H	α-helix	trans	-56.3	-45.8	173.5	176.2	-102.5	0	0	0	111.7	T475 W476 S483	T475-F479 WeakPolarHBondContact O-CB 3.45Å; T475-F479 PolarHBondContact O-N 2.82Å; W476-F479 HydrophobicContact CE3-CD1 4.09Å; W476-F479 HydrophobicContact CZ3-CD1 4.15Å; W476-F479 HydrophobicContact CZ3-CE1 4.44Å; W476-F479 PolarHBondContact O-N 3.39Å; F479-S483 VanDerWaalsContact O-CB 3.31Å; F479-S483 WeakPolarHBondContact O-CB 3.12Å; F479-S483 PolarHBondContact O-N 3.14Å; F479-S483 PolarHBondContact O-OG 3.42Å
480	K	94.8	Very high	94.1	Very high	8 Å²	8	55.1 Å²	55.1	4%	0.035	27%	0.271	C	S	.	.	H	α-helix	trans	-60.6	-47.8	175.8	-174.7	174.6	-168.9	-64.9	0	111.9	W459 W476 A477 L478 S483 H484 T504	W459-K480 HydrophobicContact CD2-CD 4.24Å; W476-K480 WeakPolarHBondContact O-CB 3.22Å; W476-K480 PolarHBondContact O-N 3.1Å; A477-K480 PolarHBondContact O-N 3.31Å; L478-K480 VanDerWaalsContact C-N 3.31Å; L478-K480 PolarHBondContact O-N 3.44Å; K480-S483 PolarHBondContact O-N 3.46Å; K480-H484 PolarHBondContact NZ-CE1 2.81Å; K480-H484 VanDerWaalsContact NZ-CE1 3.32Å; K480-H484 PolarHBondContact O-N 2.88Å; K480-T504 PolarHBondContact NZ-OG1 2.8Å
481	A	95.5	Very high	94	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-66.1	-42.7	-179.6	0	0	0	0	0	113.2	N441 A442 A477 L478 S483 H484 M485	N441-A481 HydrophobicContact CB-CB 4.05Å; A442-A481 HydrophobicContact CB-CB 3.91Å; A477-A481 WeakPolarHBondContact O-CB 3.08Å; A477-A481 PolarHBondContact O-N 3.46Å; L478-A481 PolarHBondContact O-N 2.87Å; A481-S483 VanDerWaalsContact C-N 3.32Å; A481-H484 PolarHBondContact O-N 3.16Å; A481-M485 PolarHBondContact O-N 3.02Å
482	L	94.7	Very high	93.7	Very high	57 Å²	57	55.7 Å²	55.7	30%	0.298	28%	0.28	S	S	.	.	H	α-helix	trans	-67.2	-33.8	176.2	-69.8	177.8	0	0	0	111.9	L478 H484 M485 L486	L478-L482 HydrophobicContact CD1-CD1 4.1Å; L478-L482 HydrophobicContact CD1-CG 4.07Å; L478-L482 HydrophobicContact CD2-CD1 4.41Å; L478-L482 HydrophobicContact CG-CD1 3.86Å; L478-L482 HydrophobicContact CG-CG 4.22Å; L478-L482 WeakPolarHBondContact O-CB 3.49Å; L478-L482 WeakPolarHBondContact O-CG 3.41Å; L478-L482 PolarHBondContact O-N 3.02Å; L482-H484 VanDerWaalsContact C-N 3.33Å; L482-H484 PolarHBondContact O-N 2.9Å; L482-M485 HydrophobicContact CD2-SD 4.38Å; L482-M485 PolarHBondContact O-N 2.99Å; L482-M485 VanDerWaalsContact O-N 3.16Å; L482-L486 PolarHBondContact O-N 3.39Å
483	S	95.4	Very high	93.5	Very high	5 Å²	5	54.9 Å²	54.9	4%	0.035	27%	0.273	C	S	.	.	H	α-helix	trans	-63.1	-38.4	174.6	-61.1	0	0	0	0	112	F479 K480 A481 S487 I488 G489	F479-S483 VanDerWaalsContact O-CB 3.31Å; F479-S483 WeakPolarHBondContact O-CB 3.12Å; F479-S483 PolarHBondContact O-N 3.14Å; F479-S483 PolarHBondContact O-OG 3.42Å; K480-S483 PolarHBondContact O-N 3.46Å; A481-S483 VanDerWaalsContact C-N 3.32Å; S483-S487 PolarHBondContact O-N 3.15Å; S483-I488 PolarHBondContact O-N 3.28Å; S483-G489 CarbonylContact C-O 3.57Å; S483-G489 WeakPolarHBondContact CB-O 3.47Å; S483-G489 PolarHBondContact O-N 3.29Å
484	H	95.1	Very high	93.3	Very high	6 Å²	6	58.1 Å²	58.1	3%	0.028	30%	0.295	C	S	.	.	H	α-helix	trans	-70.4	-37.9	171.6	-55	157.2	0	0	0	112.2	K480 A481 L482 S487 G489 S507 M508	K480-H484 PolarHBondContact NZ-CE1 2.81Å; K480-H484 VanDerWaalsContact NZ-CE1 3.32Å; K480-H484 PolarHBondContact O-N 2.88Å; A481-H484 PolarHBondContact O-N 3.16Å; L482-H484 VanDerWaalsContact C-N 3.33Å; L482-H484 PolarHBondContact O-N 2.9Å; H484-S487 PolarHBondContact O-N 3.43Å; H484-G489 PolarHBondContact CD2-O 2.93Å; H484-S507 WeakPolarHBondContact ND1-CB 3.48Å; H484-S507 PolarHBondContact ND1-OG 3.25Å; H484-M508 HydrophobicContact CB-CG 4.08Å
485	M	95.2	Very high	93.2	Very high	6 Å²	6	58.1 Å²	58.1	3%	0.03	30%	0.3	C	S	.	.	H	α-helix	trans	-64.2	-45.6	-179.2	-177.2	173.3	-63.4	0	0	113	M434 L437 G438 A481 L482 S487 G511	M434-M485 HydrophobicContact CB-SD 4.21Å; M434-M485 HydrophobicContact CE-CG 4.42Å; M434-M485 HydrophobicContact CE-SD 4.14Å; M434-M485 WeakPolarHBondContact O-CE 3.42Å; L437-M485 HydrophobicContact CB-CE 4.32Å; G438-M485 VanDerWaalsContact N-CE 3.31Å; A481-M485 PolarHBondContact O-N 3.02Å; L482-M485 HydrophobicContact CD2-SD 4.38Å; L482-M485 PolarHBondContact O-N 2.99Å; L482-M485 VanDerWaalsContact O-N 3.16Å; M485-S487 VanDerWaalsContact C-N 3.25Å; M485-S487 PolarHBondContact O-N 3.35Å; M485-G511 CarbonylContact O-C 3.52Å
486	L	94.2	Very high	92.9	Very high	82 Å²	82	58 Å²	58	43%	0.429	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	9.5	-179.7	-60.9	176.5	0	0	0	112.5	L482 I488 Y515	L482-L486 PolarHBondContact O-N 3.39Å; L486-I488 VanDerWaalsContact C-N 3.3Å; L486-I488 HydrophobicContact CB-CD1 4.01Å; L486-I488 HydrophobicContact CB-CG1 4.01Å; L486-I488 HydrophobicContact CD1-CD1 4.46Å; L486-I488 PolarHBondContact O-N 3.18Å; L486-Y515 HydrophobicContact CD2-CD2 4.32Å
487	S	93.9	Very high	92.7	Very high	81 Å²	81	54.7 Å²	54.7	57%	0.566	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.8	37	177.9	-51.5	0	0	0	0	114.3	S483 H484 M485	S483-S487 PolarHBondContact O-N 3.15Å; H484-S487 PolarHBondContact O-N 3.43Å; M485-S487 VanDerWaalsContact C-N 3.25Å; M485-S487 PolarHBondContact O-N 3.35Å
488	I	95	Very high	92.6	Very high	129 Å²	129	60.8 Å²	60.8	66%	0.662	33%	0.325	S	S	*	.			trans	-89	-47	-179.2	-57.2	174.3	0	0	0	111.5	S483 L486	S483-I488 PolarHBondContact O-N 3.28Å; L486-I488 VanDerWaalsContact C-N 3.3Å; L486-I488 HydrophobicContact CB-CD1 4.01Å; L486-I488 HydrophobicContact CB-CG1 4.01Å; L486-I488 HydrophobicContact CD1-CD1 4.46Å; L486-I488 PolarHBondContact O-N 3.18Å
489	G	91.7	Very high	92.4	Very high	30 Å²	30	60.9 Å²	60.9	31%	0.309	33%	0.328	S	S	.	.			trans	166	-167.7	-175	0	0	0	0	0	115	S483 H484	S483-G489 CarbonylContact C-O 3.57Å; S483-G489 WeakPolarHBondContact CB-O 3.47Å; S483-G489 PolarHBondContact O-N 3.29Å; H484-G489 PolarHBondContact CD2-O 2.93Å
490	Y	90.5	Very high	92.3	Very high	110 Å²	110	56 Å²	56	43%	0.431	31%	0.307	S	S	.	.			trans	-93.9	-1.1	-169.9	-59.1	-70.4	0	0	0	115.8	T504 M508	Y490-T504 HydrophobicContact CD1-CG2 3.89Å; Y490-T504 HydrophobicContact CE1-CG2 4.06Å; Y490-M508 HydrophobicContact CE1-CE 4.41Å; Y490-M508 HydrophobicContact CE1-SD 3.8Å
491	G	87.5	Confident	92.3	Very high	31 Å²	31	57 Å²	57	32%	0.32	32%	0.316	S	S	.	.	S	Bend	trans	87	-149.1	-167.9	0	0	0	0	0	112.1
492	R	87.3	Confident	92.2	Very high	170 Å²	170	64.2 Å²	64.2	64%	0.642	34%	0.344	S	S	*	.	S	Bend	trans	-70	-33	-175.5	-167.4	178.3	-177.6	102.3	2.6	113.6
493	Y	88.6	Confident	92.2	Very high	76 Å²	76	62.4 Å²	62.4	30%	0.298	33%	0.334	S	S	.	.	S	Bend	trans	-138.5	141.2	-177.1	-56.4	-70.2	0	0	0	110.5	K462 A463	K462-Y493 HydrophobicContact CB-CD2 3.97Å; K462-Y493 HydrophobicContact CB-CE2 3.96Å; K462-Y493 HydrophobicContact CB-CG 4.46Å; K462-Y493 PolarHBondContact O-OH 3.29Å; A463-Y493 HydrophobicContact CB-CE2 4.09Å
494	P	90.1	Very high	92.2	Very high	81 Å²	81	62.3 Å²	62.3	53%	0.526	33%	0.333	S	S	.	.			trans	-68	156.3	171.1	29.8	-34.4	0	0	0	111.4	S496	P494-S496 PolarHBondContact O-N 3.34Å; P494-S496 PolarHBondContact O-OG 2.86Å
495	P	91.6	Very high	92.1	Very high	40 Å²	40	65.7 Å²	65.7	26%	0.26	35%	0.351	S	S	.	.			trans	-59.4	125.3	178	26	-34	0	0	0	110	E500 A501 T504	P495-E500 HydrophobicContact CB-CB 4.04Å; P495-A501 HydrophobicContact CB-CB 4.25Å; P495-T504 HydrophobicContact CG-CG2 4.27Å
496	S	90.3	Very high	92.1	Very high	61 Å²	61	69.9 Å²	69.9	43%	0.427	37%	0.372	S	S	.	.			trans	-106.4	-21.9	-177.4	-58.1	0	0	0	0	112.5	K462 P494	K462-S496 PolarHBondContact NZ-OG 3.39Å; P494-S496 PolarHBondContact O-N 3.34Å; P494-S496 PolarHBondContact O-OG 2.86Å
497	T	90.4	Very high	92.2	Very high	27 Å²	27	66 Å²	66	17%	0.166	35%	0.352	C	S	.	.	S	Bend	trans	-107.4	151	178.9	65.2	0	0	0	0	111.2	D457 E500 A501	D457-T497 HydrophobicContact CB-CG2 3.69Å; T497-E500 PolarHBondContact N-OE2 3.21Å; T497-E500 PolarHBondContact O-N 3.44Å; T497-E500 WeakPolarHBondContact OG1-CB 3.21Å; T497-E500 WeakPolarHBondContact OG1-CG 3.35Å; T497-E500 PolarHBondContact OG1-OE2 2.88Å; T497-A501 PolarHBondContact O-N 3.36Å
498	L	92.6	Very high	92.3	Very high	128 Å²	128	65.7 Å²	65.7	67%	0.67	34%	0.342	S	S	*	.	H	α-helix	trans	-58.3	-42.7	-179.2	-171.8	72.5	0	0	0	113.3	A501 W502	L498-A501 WeakPolarHBondContact O-CB 3.37Å; L498-A501 PolarHBondContact O-N 3.33Å; L498-W502 PolarHBondContact O-N 2.77Å; L498-W502 VanDerWaalsContact O-N 3.14Å
499	P	92.1	Very high	92.3	Very high	45 Å²	45	65.5 Å²	65.5	29%	0.292	34%	0.34	S	S	.	.	H	α-helix	trans	-63.8	-41.1	176.9	-23.8	37.1	0	0	0	112.7	V448 M452 A501 W502 I503	V448-P499 HydrophobicContact CG1-CB 4.29Å; M452-P499 HydrophobicContact CE-CG 4Å; M452-P499 HydrophobicContact SD-CB 3.95Å; M452-P499 HydrophobicContact SD-CG 3.71Å; P499-A501 VanDerWaalsContact C-N 3.31Å; P499-A501 PolarHBondContact O-N 2.85Å; P499-W502 PolarHBondContact O-N 3.37Å; P499-I503 WeakPolarHBondContact O-CD1 3.47Å; P499-I503 VanDerWaalsContact O-CG1 3.26Å; P499-I503 WeakPolarHBondContact O-CG1 3.38Å; P499-I503 PolarHBondContact O-N 3.01Å; P499-I503 VanDerWaalsContact O-N 3.09Å
500	E	92.5	Very high	92.4	Very high	3 Å²	3	67.1 Å²	67.1	1%	0.014	34%	0.344	C	S	.	.	H	α-helix	trans	-64.8	-35.7	175.7	-71.2	172.3	159.6	0	0	112.4	S458 W459 P495 T497 T504	S458-E500 WeakPolarHBondContact CA-OE1 3.48Å; S458-E500 WeakPolarHBondContact CB-OE1 3.35Å; W459-E500 PolarHBondContact N-OE1 2.95Å; P495-E500 HydrophobicContact CB-CB 4.04Å; T497-E500 PolarHBondContact N-OE2 3.21Å; T497-E500 PolarHBondContact O-N 3.44Å; T497-E500 WeakPolarHBondContact OG1-CB 3.21Å; T497-E500 WeakPolarHBondContact OG1-CG 3.35Å; T497-E500 PolarHBondContact OG1-OE2 2.88Å; E500-T504 WeakPolarHBondContact O-CB 3.47Å; E500-T504 PolarHBondContact O-N 3Å; E500-T504 PolarHBondContact O-OG1 2.93Å
501	A	93.4	Very high	92.6	Very high	29 Å²	29	61.9 Å²	61.9	24%	0.24	32%	0.324	C	S	.	.	H	α-helix	trans	-62.2	-48.4	175.7	0	0	0	0	0	110.9	P495 T497 L498 P499 I503 T504 I505	P495-A501 HydrophobicContact CB-CB 4.25Å; T497-A501 PolarHBondContact O-N 3.36Å; L498-A501 WeakPolarHBondContact O-CB 3.37Å; L498-A501 PolarHBondContact O-N 3.33Å; P499-A501 VanDerWaalsContact C-N 3.31Å; P499-A501 PolarHBondContact O-N 2.85Å; A501-I503 PolarHBondContact O-N 3.49Å; A501-T504 PolarHBondContact O-N 2.9Å; A501-I505 VanDerWaalsContact O-CG1 3.29Å; A501-I505 WeakPolarHBondContact O-CG1 3.48Å; A501-I505 PolarHBondContact O-N 3.02Å
502	W	95.3	Very high	93	Very high	151 Å²	151	62.6 Å²	62.6	57%	0.572	33%	0.327	S	S	*	.	H	α-helix	trans	-62	-42.6	177.3	-81.3	110.8	0	0	0	113.2	L498 P499 T504 I505 I506	L498-W502 PolarHBondContact O-N 2.77Å; L498-W502 VanDerWaalsContact O-N 3.14Å; P499-W502 PolarHBondContact O-N 3.37Å; W502-T504 VanDerWaalsContact C-N 3.31Å; W502-T504 PolarHBondContact O-N 2.76Å; W502-I505 HydrophobicContact CE3-CD1 4.33Å; W502-I505 PolarHBondContact O-N 3.17Å; W502-I506 WeakPolarHBondContact O-CG1 3.26Å; W502-I506 PolarHBondContact O-N 2.85Å
503	I	93.7	Very high	93.3	Very high	19 Å²	19	58.5 Å²	58.5	10%	0.097	32%	0.321	C	S	.	.	H	α-helix	trans	-66.9	-38.1	177.3	-60.4	158.8	0	0	0	110.4	L444 Q445 V448 P499 A501 I506 S507	L444-I503 HydrophobicContact CD2-CG2 4.34Å; L444-I503 HydrophobicContact CG-CG2 4.29Å; Q445-I503 HydrophobicContact CG-CG2 4.13Å; V448-I503 HydrophobicContact CB-CD1 3.32Å; V448-I503 HydrophobicContact CG1-CD1 3.55Å; V448-I503 HydrophobicContact CG2-CD1 3.33Å; V448-I503 HydrophobicContact CG2-CG1 4.33Å; P499-I503 WeakPolarHBondContact O-CD1 3.47Å; P499-I503 VanDerWaalsContact O-CG1 3.26Å; P499-I503 WeakPolarHBondContact O-CG1 3.38Å; P499-I503 PolarHBondContact O-N 3.01Å; P499-I503 VanDerWaalsContact O-N 3.09Å; A501-I503 PolarHBondContact O-N 3.49Å; I503-I506 PolarHBondContact O-N 2.88Å; I503-S507 WeakPolarHBondContact O-CB 3.31Å; I503-S507 PolarHBondContact O-N 2.97Å
504	T	94.4	Very high	93.6	Very high	3 Å²	3	55.5 Å²	55.5	2%	0.018	31%	0.311	C	S	.	.	H	α-helix	trans	-63.5	-42.1	174.4	-61.7	0	0	0	0	111.4	K480 Y490 P495 E500 A501 W502 S507 M508	K480-T504 PolarHBondContact NZ-OG1 2.8Å; Y490-T504 HydrophobicContact CD1-CG2 3.89Å; Y490-T504 HydrophobicContact CE1-CG2 4.06Å; P495-T504 HydrophobicContact CG-CG2 4.27Å; E500-T504 WeakPolarHBondContact O-CB 3.47Å; E500-T504 PolarHBondContact O-N 3Å; E500-T504 PolarHBondContact O-OG1 2.93Å; A501-T504 PolarHBondContact O-N 2.9Å; W502-T504 VanDerWaalsContact C-N 3.31Å; W502-T504 PolarHBondContact O-N 2.76Å; T504-S507 WeakPolarHBondContact O-CB 3.27Å; T504-S507 PolarHBondContact O-N 3.23Å; T504-M508 HydrophobicContact CG2-CG 4.42Å; T504-M508 HydrophobicContact CG2-SD 3.92Å; T504-M508 WeakPolarHBondContact O-CB 3.34Å; T504-M508 VanDerWaalsContact O-CG 3.24Å; T504-M508 WeakPolarHBondContact O-CG 3.37Å; T504-M508 PolarHBondContact O-N 3.12Å
505	I	94.9	Very high	93.7	Very high	78 Å²	78	56.5 Å²	56.5	40%	0.4	31%	0.305	S	S	.	.	H	α-helix	trans	-60.3	-49.4	174.5	-69.2	163.7	0	0	0	110.9	A501 W502 S507 M508 M509	A501-I505 VanDerWaalsContact O-CG1 3.29Å; A501-I505 WeakPolarHBondContact O-CG1 3.48Å; A501-I505 PolarHBondContact O-N 3.02Å; W502-I505 HydrophobicContact CE3-CD1 4.33Å; W502-I505 PolarHBondContact O-N 3.17Å; I505-S507 VanDerWaalsContact C-N 3.31Å; I505-S507 PolarHBondContact O-N 3.16Å; I505-M508 PolarHBondContact O-N 3.37Å; I505-M509 HydrophobicContact CG2-SD 4.16Å; I505-M509 WeakPolarHBondContact O-CG 3.49Å; I505-M509 PolarHBondContact O-N 3.42Å
506	I	94.9	Very high	93.9	Very high	93 Å²	93	57.7 Å²	57.7	48%	0.477	32%	0.318	S	S	.	.	H	α-helix	trans	-61	-43	178.1	-67.7	166.5	0	0	0	110.8	W502 I503 M509 T510	W502-I506 WeakPolarHBondContact O-CG1 3.26Å; W502-I506 PolarHBondContact O-N 2.85Å; I503-I506 PolarHBondContact O-N 2.88Å; I506-M509 PolarHBondContact O-N 2.81Å; I506-T510 HydrophobicContact CG2-CG2 4.41Å; I506-T510 WeakPolarHBondContact O-CB 3.4Å; I506-T510 WeakPolarHBondContact O-CG2 3.42Å; I506-T510 PolarHBondContact O-N 3.09Å; I506-T510 PolarHBondContact O-OG1 2.86Å
507	S	95.2	Very high	94.1	Very high	1 Å²	1	59 Å²	59	1%	0.007	32%	0.319	C	S	.	.	H	α-helix	trans	-60.8	-42	177.1	-174	0	0	0	0	112.4	N441 Q445 H484 I503 T504 I505 T510 G511	N441-S507 WeakPolarHBondContact ND2-CA 3.11Å; N441-S507 WeakPolarHBondContact ND2-CB 3.35Å; N441-S507 PolarHBondContact ND2-OG 3.27Å; N441-S507 VanDerWaalsContact OD1-CB 3.22Å; N441-S507 WeakPolarHBondContact OD1-CB 3.26Å; N441-S507 PolarHBondContact OD1-OG 2.99Å; Q445-S507 PolarHBondContact NE2-OG 3.18Å; H484-S507 WeakPolarHBondContact ND1-CB 3.48Å; H484-S507 PolarHBondContact ND1-OG 3.25Å; I503-S507 WeakPolarHBondContact O-CB 3.31Å; I503-S507 PolarHBondContact O-N 2.97Å; T504-S507 WeakPolarHBondContact O-CB 3.27Å; T504-S507 PolarHBondContact O-N 3.23Å; I505-S507 VanDerWaalsContact C-N 3.31Å; I505-S507 PolarHBondContact O-N 3.16Å; S507-T510 WeakPolarHBondContact CA-OG1 3.11Å; S507-T510 PolarHBondContact O-OG1 3.02Å; S507-G511 PolarHBondContact O-N 2.91Å
508	M	95.4	Very high	94.3	Very high	74 Å²	74	60.9 Å²	60.9	37%	0.365	33%	0.326	S	S	.	.	H	α-helix	trans	-69	-42.9	175.6	-70.3	169.4	68.3	0	0	112.2	H484 Y490 T504 I505 G511 A512	H484-M508 HydrophobicContact CB-CG 4.08Å; Y490-M508 HydrophobicContact CE1-CE 4.41Å; Y490-M508 HydrophobicContact CE1-SD 3.8Å; T504-M508 HydrophobicContact CG2-CG 4.42Å; T504-M508 HydrophobicContact CG2-SD 3.92Å; T504-M508 WeakPolarHBondContact O-CB 3.34Å; T504-M508 VanDerWaalsContact O-CG 3.24Å; T504-M508 WeakPolarHBondContact O-CG 3.37Å; T504-M508 PolarHBondContact O-N 3.12Å; I505-M508 PolarHBondContact O-N 3.37Å; M508-G511 PolarHBondContact O-N 3.28Å; M508-A512 VanDerWaalsContact O-CB 3.31Å; M508-A512 WeakPolarHBondContact O-CB 3.16Å; M508-A512 PolarHBondContact O-N 3.42Å
509	M	95.5	Very high	94.3	Very high	125 Å²	125	58.1 Å²	58.1	62%	0.616	31%	0.314	S	S	*	.	H	α-helix	trans	-63.2	-47	178.3	-71.7	-179.2	71	0	0	112.2	I505 I506 T513	I505-M509 HydrophobicContact CG2-SD 4.16Å; I505-M509 WeakPolarHBondContact O-CG 3.49Å; I505-M509 PolarHBondContact O-N 3.42Å; I506-M509 PolarHBondContact O-N 2.81Å; M509-T513 WeakPolarHBondContact O-CB 3.5Å; M509-T513 PolarHBondContact O-N 3.11Å; M509-T513 VanDerWaalsContact O-N 3.12Å; M509-T513 PolarHBondContact O-OG1 3.4Å
510	T	94	Very high	94.3	Very high	64 Å²	64	58 Å²	58	39%	0.393	32%	0.32	S	S	.	.	H	α-helix	trans	-63.7	-42.6	176.2	50.3	0	0	0	0	111.3	I506 S507 T513 C514	I506-T510 HydrophobicContact CG2-CG2 4.41Å; I506-T510 WeakPolarHBondContact O-CB 3.4Å; I506-T510 WeakPolarHBondContact O-CG2 3.42Å; I506-T510 PolarHBondContact O-N 3.09Å; I506-T510 PolarHBondContact O-OG1 2.86Å; S507-T510 WeakPolarHBondContact CA-OG1 3.11Å; S507-T510 PolarHBondContact O-OG1 3.02Å; T510-T513 PolarHBondContact O-N 3.29Å; T510-C514 PolarHBondContact O-N 2.79Å; T510-C514 PolarHBondContact O-SG 2.77Å
511	G	94.7	Very high	94.2	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-57.3	-56.8	175.1	0	0	0	0	0	114	M485 S507 M508 T513 C514 Y515	M485-G511 CarbonylContact O-C 3.52Å; S507-G511 PolarHBondContact O-N 2.91Å; M508-G511 PolarHBondContact O-N 3.28Å; G511-T513 VanDerWaalsContact C-N 3.28Å; G511-T513 PolarHBondContact O-N 3.16Å; G511-C514 PolarHBondContact O-N 3.45Å; G511-C514 VanDerWaalsContact O-N 3.15Å; G511-Y515 PolarHBondContact O-N 3.11Å
512	A	94.9	Very high	94.1	Very high	47 Å²	47	61.5 Å²	61.5	39%	0.388	34%	0.336	S	S	.	.	H	α-helix	trans	-58.6	-39.2	179.4	0	0	0	0	0	112.2	M508 Y515 A516	M508-A512 VanDerWaalsContact O-CB 3.31Å; M508-A512 WeakPolarHBondContact O-CB 3.16Å; M508-A512 PolarHBondContact O-N 3.42Å; A512-Y515 PolarHBondContact O-N 2.99Å; A512-A516 WeakPolarHBondContact O-CB 3.41Å; A512-A516 PolarHBondContact O-N 3.09Å
513	T	95.1	Very high	93.8	Very high	84 Å²	84	56.4 Å²	56.4	52%	0.515	33%	0.326	S	S	.	.	H	α-helix	trans	-63.9	-46.9	176	-55.5	0	0	0	0	111.4	M509 T510 G511 Y515 A516 L517	M509-T513 WeakPolarHBondContact O-CB 3.5Å; M509-T513 PolarHBondContact O-N 3.11Å; M509-T513 VanDerWaalsContact O-N 3.12Å; M509-T513 PolarHBondContact O-OG1 3.4Å; T510-T513 PolarHBondContact O-N 3.29Å; G511-T513 VanDerWaalsContact C-N 3.28Å; G511-T513 PolarHBondContact O-N 3.16Å; T513-Y515 PolarHBondContact O-N 3.1Å; T513-A516 PolarHBondContact O-N 3.12Å; T513-L517 HydrophobicContact CG2-CD1 4.42Å; T513-L517 WeakPolarHBondContact O-CG 3.4Å; T513-L517 PolarHBondContact O-N 3.26Å
514	C	93.7	Very high	93.6	Very high	13 Å²	13	57.6 Å²	57.6	9%	0.088	34%	0.339	C	S	.	.	H	α-helix	trans	-63.2	-42.5	178.5	-68.1	0	0	0	0	111.9	M434 L437 T510 G511 L517 F518	M434-C514 HydrophobicContact CG-CB 4.09Å; L437-C514 VanDerWaalsContact CD1-SG 3.55Å; T510-C514 PolarHBondContact O-N 2.79Å; T510-C514 PolarHBondContact O-SG 2.77Å; G511-C514 PolarHBondContact O-N 3.45Å; G511-C514 VanDerWaalsContact O-N 3.15Å; C514-L517 PolarHBondContact O-N 3.45Å; C514-F518 PolarHBondContact O-N 2.88Å
515	Y	94	Very high	93.2	Very high	102 Å²	102	58.4 Å²	58.4	40%	0.4	34%	0.343	S	S	.	.	H	α-helix	trans	-64.8	-41.8	177.6	-174.9	-110.6	0	0	0	112.2	L486 G511 A512 T513 L517 F518 V519	L486-Y515 HydrophobicContact CD2-CD2 4.32Å; G511-Y515 PolarHBondContact O-N 3.11Å; A512-Y515 PolarHBondContact O-N 2.99Å; T513-Y515 PolarHBondContact O-N 3.1Å; Y515-L517 PolarHBondContact O-N 2.93Å; Y515-F518 WeakPolarHBondContact O-CB 3.45Å; Y515-F518 PolarHBondContact O-N 3.15Å; Y515-V519 HydrophobicContact CD1-CG2 4.48Å; Y515-V519 HydrophobicContact CE1-CG2 4.09Å; Y515-V519 HydrophobicContact CE2-CG2 4.41Å; Y515-V519 WeakPolarHBondContact O-CG2 3.25Å; Y515-V519 PolarHBondContact O-N 3.39Å
516	A	95.3	Very high	92.8	Very high	64 Å²	64	60.7 Å²	60.7	53%	0.529	35%	0.354	S	S	.	.	H	α-helix	trans	-61.4	-42.1	174.8	0	0	0	0	0	112.3	A512 T513 F518 V519 G520	A512-A516 WeakPolarHBondContact O-CB 3.41Å; A512-A516 PolarHBondContact O-N 3.09Å; T513-A516 PolarHBondContact O-N 3.12Å; A516-F518 VanDerWaalsContact C-N 3.35Å; A516-V519 PolarHBondContact O-N 2.85Å; A516-G520 PolarHBondContact O-N 3.36Å
517	L	93.9	Very high	92.3	Very high	88 Å²	88	62.2 Å²	62.2	46%	0.461	36%	0.36	S	S	.	.	H	α-helix	trans	-61.8	-42.7	173.6	-70.5	172.6	0	0	0	111.4	L430 T513 C514 Y515 V519 G520 H521	L430-L517 HydrophobicContact CD1-CB 4.34Å; L430-L517 HydrophobicContact CD2-CB 4.34Å; T513-L517 HydrophobicContact CG2-CD1 4.42Å; T513-L517 WeakPolarHBondContact O-CG 3.4Å; T513-L517 PolarHBondContact O-N 3.26Å; C514-L517 PolarHBondContact O-N 3.45Å; Y515-L517 PolarHBondContact O-N 2.93Å; L517-V519 PolarHBondContact O-N 3.43Å; L517-G520 PolarHBondContact O-N 3.3Å; L517-H521 PolarHBondContact O-CD2 3.16Å; L517-H521 VanDerWaalsContact O-CD2 3.26Å; L517-H521 PolarHBondContact O-N 3.41Å
518	F	94	Very high	91.8	Very high	67 Å²	67	63.8 Å²	63.8	29%	0.294	37%	0.371	S	S	.	.	H	α-helix	trans	-58.9	-48.4	177.2	175	-98.2	0	0	0	112	I427 L430 V431 M434 C514 Y515 A516 G520 H521 A522	I427-F518 HydrophobicContact CD1-CE2 4.29Å; I427-F518 HydrophobicContact CG1-CE2 4.4Å; L430-F518 HydrophobicContact CD2-CB 4.2Å; V431-F518 HydrophobicContact CG2-CD2 4.25Å; V431-F518 HydrophobicContact CG2-CE2 3.94Å; M434-F518 HydrophobicContact CE-CB 4.33Å; M434-F518 HydrophobicContact SD-CB 3.76Å; M434-F518 HydrophobicContact SD-CD2 4.12Å; M434-F518 HydrophobicContact SD-CG 4.17Å; C514-F518 PolarHBondContact O-N 2.88Å; Y515-F518 WeakPolarHBondContact O-CB 3.45Å; Y515-F518 PolarHBondContact O-N 3.15Å; A516-F518 VanDerWaalsContact C-N 3.35Å; F518-G520 VanDerWaalsContact C-N 3.31Å; F518-G520 PolarHBondContact O-N 3.13Å; F518-H521 PolarHBondContact O-N 3.09Å; F518-A522 VanDerWaalsContact O-CB 3.32Å; F518-A522 WeakPolarHBondContact O-CB 3.04Å; F518-A522 PolarHBondContact O-N 3.25Å
519	V	93.6	Very high	91.1	Very high	71 Å²	71	67.2 Å²	67.2	43%	0.43	38%	0.384	S	S	.	.	H	α-helix	trans	-59.5	-42.7	176.2	174.3	0	0	0	0	111	Y515 A516 L517 A522 A523	Y515-V519 HydrophobicContact CD1-CG2 4.48Å; Y515-V519 HydrophobicContact CE1-CG2 4.09Å; Y515-V519 HydrophobicContact CE2-CG2 4.41Å; Y515-V519 WeakPolarHBondContact O-CG2 3.25Å; Y515-V519 PolarHBondContact O-N 3.39Å; A516-V519 PolarHBondContact O-N 2.85Å; L517-V519 PolarHBondContact O-N 3.43Å; V519-A522 PolarHBondContact O-N 3.04Å; V519-A523 WeakPolarHBondContact O-CB 3.1Å; V519-A523 PolarHBondContact O-N 2.81Å
520	G	92.3	Very high	90.4	Very high	41 Å²	41	64.8 Å²	64.8	42%	0.423	37%	0.373	S	S	.	.	H	α-helix	trans	-61.8	-45.3	176.7	0	0	0	0	0	113.6	A516 L517 F518 A524	A516-G520 PolarHBondContact O-N 3.36Å; L517-G520 PolarHBondContact O-N 3.3Å; F518-G520 VanDerWaalsContact C-N 3.31Å; F518-G520 PolarHBondContact O-N 3.13Å; G520-A524 PolarHBondContact O-N 3.27Å; G520-A524 VanDerWaalsContact O-N 3.07Å
521	H	89.2	Confident	89.9	Confident	83 Å²	83	63.8 Å²	63.8	38%	0.384	37%	0.372	S	S	.	.	H	α-helix	trans	-68.3	-40.5	177.5	-84.1	-84.7	0	0	0	112.5	L430 L517 F518 A524 L525	L430-H521 HydrophobicContact CD2-CB 3.89Å; L517-H521 PolarHBondContact O-CD2 3.16Å; L517-H521 VanDerWaalsContact O-CD2 3.26Å; L517-H521 PolarHBondContact O-N 3.41Å; F518-H521 PolarHBondContact O-N 3.09Å; H521-A524 PolarHBondContact O-N 3.29Å; H521-L525 WeakPolarHBondContact O-CB 3.14Å; H521-L525 PolarHBondContact O-N 3Å
522	A	90.8	Very high	89.5	Confident	23 Å²	23	65.7 Å²	65.7	19%	0.19	39%	0.385	C	S	.	.	H	α-helix	trans	-61.1	-45.5	175.1	0	0	0	0	0	111.3	I427 F518 V519 A524 L525 I526	I427-A522 HydrophobicContact CD1-CB 4.29Å; F518-A522 VanDerWaalsContact O-CB 3.32Å; F518-A522 WeakPolarHBondContact O-CB 3.04Å; F518-A522 PolarHBondContact O-N 3.25Å; V519-A522 PolarHBondContact O-N 3.04Å; A522-A524 PolarHBondContact O-N 2.83Å; A522-L525 PolarHBondContact O-N 2.87Å; A522-I526 WeakPolarHBondContact O-CG1 3.37Å; A522-I526 PolarHBondContact O-N 3.41Å
523	A	90.9	Very high	89.2	Confident	45 Å²	45	68.6 Å²	68.6	37%	0.372	39%	0.389	S	S	.	.	H	α-helix	trans	-60.3	-44.1	175.7	0	0	0	0	0	112.2	V519 L525 I526 Q527	V519-A523 WeakPolarHBondContact O-CB 3.1Å; V519-A523 PolarHBondContact O-N 2.81Å; A523-L525 VanDerWaalsContact C-N 3.32Å; A523-L525 PolarHBondContact O-N 2.87Å; A523-I526 PolarHBondContact O-N 3.29Å; A523-Q527 VanDerWaalsContact O-CG 3.31Å; A523-Q527 WeakPolarHBondContact O-CG 3.32Å; A523-Q527 PolarHBondContact O-N 3.36Å
524	A	88	Confident	88.9	Confident	44 Å²	44	68.9 Å²	68.9	36%	0.364	38%	0.38	S	S	.	.	H	α-helix	trans	-65.2	-33.9	178.2	0	0	0	0	0	113.2	G520 H521 A522 S528	G520-A524 PolarHBondContact O-N 3.27Å; G520-A524 VanDerWaalsContact O-N 3.07Å; H521-A524 PolarHBondContact O-N 3.29Å; A522-A524 PolarHBondContact O-N 2.83Å; A524-S528 PolarHBondContact O-N 2.61Å
525	L	86.8	Confident	88.7	Confident	20 Å²	20	74.2 Å²	74.2	11%	0.105	40%	0.402	C	S	.	.	H	α-helix	trans	-69.2	-48.5	175.5	-179.2	66.1	0	0	0	111.1	K423 I427 H521 A522 A523 Q527 S528 F529	K423-L525 HydrophobicContact CB-CD1 4.15Å; I427-L525 HydrophobicContact CD1-CD2 4.08Å; I427-L525 HydrophobicContact CG2-CD2 3.92Å; H521-L525 WeakPolarHBondContact O-CB 3.14Å; H521-L525 PolarHBondContact O-N 3Å; A522-L525 PolarHBondContact O-N 2.87Å; A523-L525 VanDerWaalsContact C-N 3.32Å; A523-L525 PolarHBondContact O-N 2.87Å; L525-Q527 VanDerWaalsContact C-N 3.25Å; L525-Q527 PolarHBondContact O-N 2.93Å; L525-S528 WeakPolarHBondContact O-CA 3.42Å; L525-S528 WeakPolarHBondContact O-CB 3.44Å; L525-S528 PolarHBondContact O-N 3.29Å; L525-S528 PolarHBondContact O-OG 2.92Å; L525-F529 HydrophobicContact CD1-CD2 4.49Å; L525-F529 HydrophobicContact CD1-CE2 3.82Å; L525-F529 HydrophobicContact CD1-CZ 4Å; L525-F529 HydrophobicContact CD2-CE2 3.98Å; L525-F529 HydrophobicContact CD2-CZ 4.44Å; L525-F529 HydrophobicContact CG-CD2 4.21Å; L525-F529 HydrophobicContact CG-CE2 3.56Å; L525-F529 HydrophobicContact CG-CZ 4.19Å; L525-F529 PolarHBondContact O-N 3.44Å
526	I	86.5	Confident	88.6	Confident	125 Å²	125	70.8 Å²	70.8	64%	0.641	39%	0.389	S	S	*	.	H	α-helix	trans	-56.4	-42.9	176.5	-68.3	166.2	0	0	0	110.4	A522 A523 S528	A522-I526 WeakPolarHBondContact O-CG1 3.37Å; A522-I526 PolarHBondContact O-N 3.41Å; A523-I526 PolarHBondContact O-N 3.29Å; I526-S528 PolarHBondContact O-N 3.18Å; I526-S528 VanDerWaalsContact O-N 3.13Å
527	Q	85.2	Confident	88.5	Confident	126 Å²	126	73.3 Å²	73.3	59%	0.589	38%	0.384	S	S	*	.	H	α-helix	trans	-65.8	-12.8	176.5	-73.3	179.6	-0.4	0	0	114.5	A523 L525 R534	A523-Q527 VanDerWaalsContact O-CG 3.31Å; A523-Q527 WeakPolarHBondContact O-CG 3.32Å; A523-Q527 PolarHBondContact O-N 3.36Å; L525-Q527 VanDerWaalsContact C-N 3.25Å; L525-Q527 PolarHBondContact O-N 2.93Å; Q527-R534 PolarHBondContact O-NH1 3.29Å
528	S	82.9	Confident	88.4	Confident	34 Å²	34	73.7 Å²	73.7	24%	0.238	38%	0.384	C	S	.	.	H	α-helix	trans	-98.5	-27.8	-176.4	76.4	0	0	0	0	114.7	A524 L525 I526 D530	A524-S528 PolarHBondContact O-N 2.61Å; L525-S528 WeakPolarHBondContact O-CA 3.42Å; L525-S528 WeakPolarHBondContact O-CB 3.44Å; L525-S528 PolarHBondContact O-N 3.29Å; L525-S528 PolarHBondContact O-OG 2.92Å; I526-S528 PolarHBondContact O-N 3.18Å; I526-S528 VanDerWaalsContact O-N 3.13Å; S528-D530 PolarHBondContact O-N 3.04Å
529	F	81.9	Confident	88.3	Confident	145 Å²	145	73.3 Å²	73.3	64%	0.636	38%	0.384	S	S	*	.	H	α-helix	trans	-63.1	-24.2	-177.9	-80.8	-62.2	0	0	0	113.5	L525	L525-F529 HydrophobicContact CD1-CD2 4.49Å; L525-F529 HydrophobicContact CD1-CE2 3.82Å; L525-F529 HydrophobicContact CD1-CZ 4Å; L525-F529 HydrophobicContact CD2-CE2 3.98Å; L525-F529 HydrophobicContact CD2-CZ 4.44Å; L525-F529 HydrophobicContact CG-CD2 4.21Å; L525-F529 HydrophobicContact CG-CE2 3.56Å; L525-F529 HydrophobicContact CG-CZ 4.19Å; L525-F529 PolarHBondContact O-N 3.44Å
530	D	80.3	Confident	88.3	Confident	74 Å²	74	71.6 Å²	71.6	40%	0.396	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.1	37.7	-166.6	-125.7	18.1	0	0	0	113.8	S528 S532 K533 R534 R537	S528-D530 PolarHBondContact O-N 3.04Å; D530-S532 PolarHBondContact O-N 3.36Å; D530-K533 PolarHBondContact O-N 3.28Å; D530-R534 VanDerWaalsContact O-CB 3.28Å; D530-R534 WeakPolarHBondContact O-CB 3.4Å; D530-R534 PolarHBondContact O-N 2.88Å; D530-R537 IonicContact OD2-NH1 3.69Å
531	A	84.8	Confident	88.4	Confident	44 Å²	44	75.5 Å²	75.5	36%	0.364	38%	0.377	S	S	.	.	H	α-helix	trans	-61.4	-41.6	-173.2	0	0	0	0	0	114	K535	A531-K535 WeakPolarHBondContact O-CG 3.33Å; A531-K535 PolarHBondContact O-N 3.24Å
532	S	85.9	Confident	88.7	Confident	40 Å²	40	77 Å²	77	28%	0.28	39%	0.385	S	S	.	.	H	α-helix	trans	-72.5	-40	-178.5	56.8	0	0	0	0	112.6	D530 K535 Y536	D530-S532 PolarHBondContact O-N 3.36Å; S532-K535 PolarHBondContact O-N 3.5Å; S532-Y536 PolarHBondContact O-N 3.24Å; S532-Y536 VanDerWaalsContact O-N 3.07Å
533	K	88.7	Confident	88.9	Confident	107 Å²	107	76.7 Å²	76.7	47%	0.465	38%	0.38	S	S	.	.	H	α-helix	trans	-69.4	-38.9	176.2	-160.5	-179.3	179.6	177.9	0	111.3	D530 Y536 R537	D530-K533 PolarHBondContact O-N 3.28Å; K533-Y536 PolarHBondContact O-N 2.85Å; K533-R537 WeakPolarHBondContact O-CG 3.39Å; K533-R537 PolarHBondContact O-N 3.45Å
534	R	88.9	Confident	89.1	Confident	90 Å²	90	79.2 Å²	79.2	34%	0.34	38%	0.384	S	S	.	.	H	α-helix	trans	-61.3	-47.9	172.8	-173	-178.6	66.2	-143.6	-9.7	111.5	Q527 D530 Y536 R537 E538	Q527-R534 PolarHBondContact O-NH1 3.29Å; D530-R534 VanDerWaalsContact O-CB 3.28Å; D530-R534 WeakPolarHBondContact O-CB 3.4Å; D530-R534 PolarHBondContact O-N 2.88Å; R534-Y536 VanDerWaalsContact C-N 3.29Å; R534-Y536 PolarHBondContact O-N 3.46Å; R534-R537 PolarHBondContact O-N 3.43Å; R534-R537 VanDerWaalsContact O-N 3.16Å; R534-E538 WeakPolarHBondContact CD-OE1 3.34Å; R534-E538 HydrophobicContact CG-CG 4.37Å; R534-E538 WeakPolarHBondContact CG-OE1 3.35Å; R534-E538 IonicContact NE-OE1 3.52Å; R534-E538 PolarHBondContact NE-OE1 3.2Å; R534-E538 WeakPolarHBondContact O-CG 3.37Å; R534-E538 PolarHBondContact O-N 3.45Å
535	K	89.3	Confident	89.4	Confident	126 Å²	126	80.2 Å²	80.2	55%	0.548	38%	0.381	S	S	.	.	H	α-helix	trans	-56.9	-41.5	175.5	-78.8	-176.8	179.7	-175.8	0	112.4	A531 S532 E538 M539 M572	A531-K535 WeakPolarHBondContact O-CG 3.33Å; A531-K535 PolarHBondContact O-N 3.24Å; S532-K535 PolarHBondContact O-N 3.5Å; K535-E538 PolarHBondContact O-N 3.31Å; K535-M539 PolarHBondContact O-N 3.43Å; K535-M572 HydrophobicContact CB-CB 4.44Å
536	Y	92.2	Very high	89.8	Confident	29 Å²	29	85 Å²	85	11%	0.114	40%	0.399	C	S	.	.	H	α-helix	trans	-61.2	-48.7	174.7	173.8	-100.7	0	0	0	112.1	S532 K533 R534 E538 M539 L540 M572	S532-Y536 PolarHBondContact O-N 3.24Å; S532-Y536 VanDerWaalsContact O-N 3.07Å; K533-Y536 PolarHBondContact O-N 2.85Å; R534-Y536 VanDerWaalsContact C-N 3.29Å; R534-Y536 PolarHBondContact O-N 3.46Å; Y536-E538 PolarHBondContact O-N 2.9Å; Y536-M539 PolarHBondContact O-N 3.38Å; Y536-L540 HydrophobicContact CE1-CD2 4.34Å; Y536-L540 WeakPolarHBondContact O-CB 3.4Å; Y536-L540 PolarHBondContact O-N 2.98Å; Y536-M572 HydrophobicContact CD2-CB 4.49Å
537	R	92	Very high	90.2	Very high	117 Å²	117	79.5 Å²	79.5	44%	0.442	37%	0.371	S	S	.	.	H	α-helix	trans	-61.3	-41.9	177.4	-70.2	-170.8	-61.4	-101.5	2.2	112.5	D530 K533 R534 L540 K541	D530-R537 IonicContact OD2-NH1 3.69Å; K533-R537 WeakPolarHBondContact O-CG 3.39Å; K533-R537 PolarHBondContact O-N 3.45Å; R534-R537 PolarHBondContact O-N 3.43Å; R534-R537 VanDerWaalsContact O-N 3.16Å; R537-L540 PolarHBondContact O-N 2.96Å; R537-K541 WeakPolarHBondContact O-CB 3.48Å; R537-K541 PolarHBondContact O-N 3.29Å
538	E	92.9	Very high	90.7	Very high	96 Å²	96	74.3 Å²	74.3	45%	0.449	35%	0.349	S	S	.	.	H	α-helix	trans	-60.8	-45.6	176.1	-75.5	170.8	-169.1	0	0	111.5	R534 K535 Y536 K541 Q542	R534-E538 WeakPolarHBondContact CD-OE1 3.34Å; R534-E538 HydrophobicContact CG-CG 4.37Å; R534-E538 WeakPolarHBondContact CG-OE1 3.35Å; R534-E538 IonicContact NE-OE1 3.52Å; R534-E538 PolarHBondContact NE-OE1 3.2Å; R534-E538 WeakPolarHBondContact O-CG 3.37Å; R534-E538 PolarHBondContact O-N 3.45Å; K535-E538 PolarHBondContact O-N 3.31Å; Y536-E538 PolarHBondContact O-N 2.9Å; E538-K541 PolarHBondContact O-N 3.31Å; E538-Q542 WeakPolarHBondContact O-CG 3.34Å; E538-Q542 PolarHBondContact O-N 3.03Å
539	M	92.1	Very high	91.3	Very high	59 Å²	59	79.4 Å²	79.4	29%	0.291	36%	0.364	S	S	.	.	H	α-helix	trans	-63.9	-45.8	175.9	-179.7	59.7	63.2	0	0	112	K535 Y536 K541 Q542 V543 M572	K535-M539 PolarHBondContact O-N 3.43Å; Y536-M539 PolarHBondContact O-N 3.38Å; M539-K541 VanDerWaalsContact C-N 3.28Å; M539-K541 PolarHBondContact O-N 3.06Å; M539-Q542 WeakPolarHBondContact O-CB 3.4Å; M539-Q542 PolarHBondContact O-N 2.97Å; M539-Q542 VanDerWaalsContact O-N 3.13Å; M539-V543 WeakPolarHBondContact O-CG2 2.98Å; M539-V543 PolarHBondContact O-N 2.85Å; M539-V543 HydrophobicContact SD-CG2 4.45Å; M539-M572 HydrophobicContact CB-CE 4.13Å; M539-M572 HydrophobicContact CB-SD 3.35Å; M539-M572 WeakPolarHBondContact CB-SD 3.44Å; M539-M572 HydrophobicContact CE-CE 3.44Å; M539-M572 VanDerWaalsContact CE-CE 3.44Å; M539-M572 HydrophobicContact CE-SD 4.1Å; M539-M572 HydrophobicContact CG-CE 3.72Å; M539-M572 HydrophobicContact CG-SD 3.58Å; M539-M572 VanDerWaalsContact CG-SD 3.58Å; M539-M572 HydrophobicContact SD-CE 4.23Å
540	L	93.2	Very high	92	Very high	36 Å²	36	77.4 Å²	77.4	19%	0.188	36%	0.355	C	S	.	.	H	α-helix	trans	-60.8	-40.9	178.9	-172.6	64.4	0	0	0	111.1	Y536 R537 Q542 V543 E544	Y536-L540 HydrophobicContact CE1-CD2 4.34Å; Y536-L540 WeakPolarHBondContact O-CB 3.4Å; Y536-L540 PolarHBondContact O-N 2.98Å; R537-L540 PolarHBondContact O-N 2.96Å; L540-Q542 PolarHBondContact O-N 3.34Å; L540-V543 WeakPolarHBondContact O-CB 3.46Å; L540-V543 PolarHBondContact O-N 3.04Å; L540-E544 WeakPolarHBondContact O-CG 3.36Å; L540-E544 PolarHBondContact O-N 3.16Å
541	K	94.8	Very high	92.7	Very high	122 Å²	122	82.4 Å²	82.4	53%	0.53	37%	0.374	S	S	.	.	H	α-helix	trans	-59.4	-45.5	173.4	-172.7	178.4	178.4	-179.4	0	111.7	R537 E538 M539 V543 E544 E545	R537-K541 WeakPolarHBondContact O-CB 3.48Å; R537-K541 PolarHBondContact O-N 3.29Å; E538-K541 PolarHBondContact O-N 3.31Å; M539-K541 VanDerWaalsContact C-N 3.28Å; M539-K541 PolarHBondContact O-N 3.06Å; K541-V543 VanDerWaalsContact C-N 3.29Å; K541-V543 PolarHBondContact O-N 3.29Å; K541-E544 WeakPolarHBondContact O-CB 2.87Å; K541-E544 PolarHBondContact O-N 3.5Å; K541-E545 WeakPolarHBondContact CE-OE1 3.09Å; K541-E545 VanDerWaalsContact O-CG 3.29Å; K541-E545 WeakPolarHBondContact O-CG 3.4Å; K541-E545 PolarHBondContact O-N 3.37Å
542	Q	95.5	Very high	93.2	Very high	115 Å²	115	83.4 Å²	83.4	54%	0.537	37%	0.368	S	S	.	.	H	α-helix	trans	-60.8	-38.9	175.5	-71.1	177.5	5.3	0	0	112.4	E538 M539 L540 E545 Y546	E538-Q542 WeakPolarHBondContact O-CG 3.34Å; E538-Q542 PolarHBondContact O-N 3.03Å; M539-Q542 WeakPolarHBondContact O-CB 3.4Å; M539-Q542 PolarHBondContact O-N 2.97Å; M539-Q542 VanDerWaalsContact O-N 3.13Å; L540-Q542 PolarHBondContact O-N 3.34Å; Q542-E545 PolarHBondContact O-N 3.42Å; Q542-Y546 WeakPolarHBondContact O-CB 3.48Å; Q542-Y546 PolarHBondContact O-N 3.26Å
543	V	94.7	Very high	93.6	Very high	16 Å²	16	85.6 Å²	85.6	10%	0.097	38%	0.382	C	S	.	.	H	α-helix	trans	-64.5	-44.1	175.1	175.2	0	0	0	0	110.3	M539 L540 K541 Y546 M547 I560 Y564	M539-V543 WeakPolarHBondContact O-CG2 2.98Å; M539-V543 PolarHBondContact O-N 2.85Å; M539-V543 HydrophobicContact SD-CG2 4.45Å; L540-V543 WeakPolarHBondContact O-CB 3.46Å; L540-V543 PolarHBondContact O-N 3.04Å; K541-V543 VanDerWaalsContact C-N 3.29Å; K541-V543 PolarHBondContact O-N 3.29Å; V543-Y546 WeakPolarHBondContact O-CB 3.27Å; V543-Y546 PolarHBondContact O-N 3.35Å; V543-M547 HydrophobicContact CG1-CE 4.16Å; V543-M547 HydrophobicContact CG1-CG 4.38Å; V543-M547 HydrophobicContact CG1-SD 4.42Å; V543-M547 VanDerWaalsContact O-CG 3.23Å; V543-M547 WeakPolarHBondContact O-CG 3.36Å; V543-M547 PolarHBondContact O-N 2.93Å; V543-I560 HydrophobicContact CG1-CG2 3.74Å; V543-Y564 HydrophobicContact CB-CE2 4.5Å; V543-Y564 HydrophobicContact CG1-CD2 4.34Å; V543-Y564 HydrophobicContact CG1-CE2 3.83Å; V543-Y564 HydrophobicContact CG2-CE1 4.12Å; V543-Y564 HydrophobicContact CG2-CE2 3.94Å; V543-Y564 WeakPolarHBondContact CG2-OH 3.33Å
544	E	94.2	Very high	93.9	Very high	99 Å²	99	90.4 Å²	90.4	46%	0.463	40%	0.397	S	S	.	.	H	α-helix	trans	-60.5	-45.6	175.7	-73	173.1	177.9	0	0	112.7	L540 K541 Y546 M547 A548	L540-E544 WeakPolarHBondContact O-CG 3.36Å; L540-E544 PolarHBondContact O-N 3.16Å; K541-E544 WeakPolarHBondContact O-CB 2.87Å; K541-E544 PolarHBondContact O-N 3.5Å; E544-Y546 VanDerWaalsContact C-N 3.3Å; E544-Y546 PolarHBondContact O-N 3.18Å; E544-M547 HydrophobicContact CB-CE 4.29Å; E544-M547 HydrophobicContact CG-CE 3.84Å; E544-M547 PolarHBondContact O-N 2.89Å; E544-A548 WeakPolarHBondContact O-CB 3.33Å; E544-A548 PolarHBondContact O-N 3.35Å
545	E	94.7	Very high	94.2	Very high	64 Å²	64	88.9 Å²	88.9	30%	0.299	40%	0.404	S	S	.	.	H	α-helix	trans	-59.3	-42.9	174.8	-69.7	-179.3	171.1	0	0	111.4	S38 K541 Q542 A548 Y549	S38-E545 VanDerWaalsContact CB-CD 3.42Å; S38-E545 WeakPolarHBondContact CB-OE1 3.47Å; S38-E545 WeakPolarHBondContact OG-CG 3.25Å; S38-E545 PolarHBondContact OG-OE1 3.18Å; K541-E545 WeakPolarHBondContact CE-OE1 3.09Å; K541-E545 VanDerWaalsContact O-CG 3.29Å; K541-E545 WeakPolarHBondContact O-CG 3.4Å; K541-E545 PolarHBondContact O-N 3.37Å; Q542-E545 PolarHBondContact O-N 3.42Å; E545-A548 PolarHBondContact O-N 2.95Å; E545-Y549 WeakPolarHBondContact O-CB 3.48Å; E545-Y549 PolarHBondContact O-N 3.27Å
546	Y	95.4	Very high	94.4	Very high	121 Å²	121	86.1 Å²	86.1	48%	0.475	39%	0.394	S	S	.	.	H	α-helix	trans	-62.8	-45.7	175.2	177	-105.4	0	0	0	112.3	Q542 V543 E544 A548 Y549 K550 Y552	Q542-Y546 WeakPolarHBondContact O-CB 3.48Å; Q542-Y546 PolarHBondContact O-N 3.26Å; V543-Y546 WeakPolarHBondContact O-CB 3.27Å; V543-Y546 PolarHBondContact O-N 3.35Å; E544-Y546 VanDerWaalsContact C-N 3.3Å; E544-Y546 PolarHBondContact O-N 3.18Å; Y546-A548 VanDerWaalsContact C-N 3.26Å; Y546-A548 PolarHBondContact O-N 3.46Å; Y546-Y549 PolarHBondContact O-N 3.14Å; Y546-K550 HydrophobicContact CD2-CG 4.32Å; Y546-K550 HydrophobicContact CE1-CG 4.43Å; Y546-K550 HydrophobicContact CE2-CG 3.89Å; Y546-K550 WeakPolarHBondContact O-CB 3.47Å; Y546-K550 WeakPolarHBondContact O-CG 2.97Å; Y546-K550 PolarHBondContact O-N 3.07Å; Y546-Y552 HydrophobicContact CD1-CE2 4.34Å; Y546-Y552 HydrophobicContact CE1-CE2 4.02Å; Y546-Y552 WeakPolarHBondContact CE1-OH 3.22Å; Y546-Y552 PolarHBondContact OH-OH 2.77Å
547	M	95.6	Very high	94.5	Very high	9 Å²	9	89.1 Å²	89.1	4%	0.044	41%	0.406	C	S	.	.	H	α-helix	trans	-62.4	-35.4	177.1	-68.7	-169.9	-69.4	0	0	112.1	V543 E544 K551 Y552 R557 I560	V543-M547 HydrophobicContact CG1-CE 4.16Å; V543-M547 HydrophobicContact CG1-CG 4.38Å; V543-M547 HydrophobicContact CG1-SD 4.42Å; V543-M547 VanDerWaalsContact O-CG 3.23Å; V543-M547 WeakPolarHBondContact O-CG 3.36Å; V543-M547 PolarHBondContact O-N 2.93Å; E544-M547 HydrophobicContact CB-CE 4.29Å; E544-M547 HydrophobicContact CG-CE 3.84Å; E544-M547 PolarHBondContact O-N 2.89Å; M547-K551 PolarHBondContact O-N 3.3Å; M547-K551 VanDerWaalsContact O-N 3.16Å; M547-Y552 HydrophobicContact CB-CD2 3.92Å; M547-Y552 HydrophobicContact CG-CD2 3.77Å; M547-Y552 HydrophobicContact CG-CE2 4.24Å; M547-Y552 PolarHBondContact O-N 3.24Å; M547-R557 HydrophobicContact CB-CG 4.18Å; M547-R557 HydrophobicContact CE-CB 4.4Å; M547-R557 HydrophobicContact SD-CB 3.93Å; M547-R557 HydrophobicContact SD-CG 3.87Å; M547-I560 HydrophobicContact CG-CD1 4.05Å; M547-I560 HydrophobicContact SD-CB 3.79Å; M547-I560 HydrophobicContact SD-CD1 3.63Å; M547-I560 HydrophobicContact SD-CG1 4.3Å; M547-I560 HydrophobicContact SD-CG2 3.78Å
548	A	94.1	Very high	94.6	Very high	17 Å²	17	92.4 Å²	92.4	14%	0.14	42%	0.418	C	S	.	.	H	α-helix	trans	-74.8	-44.9	179.2	0	0	0	0	0	111.8	E544 E545 Y546 K550 K551	E544-A548 WeakPolarHBondContact O-CB 3.33Å; E544-A548 PolarHBondContact O-N 3.35Å; E545-A548 PolarHBondContact O-N 2.95Å; Y546-A548 VanDerWaalsContact C-N 3.26Å; Y546-A548 PolarHBondContact O-N 3.46Å; A548-K550 VanDerWaalsContact C-N 3.31Å; A548-K550 PolarHBondContact O-N 3.16Å; A548-K551 WeakPolarHBondContact O-CA 3.25Å; A548-K551 PolarHBondContact O-N 3.07Å
549	Y	95.9	Very high	94.8	Very high	142 Å²	142	93.9 Å²	93.9	56%	0.557	42%	0.42	S	S	*	.	H	α-helix	trans	-56.9	-43.5	173.2	173.6	-119.2	0	0	0	112.2	S39 E545 Y546 K551	S39-Y549 VanDerWaalsContact CB-CD2 3.43Å; E545-Y549 WeakPolarHBondContact O-CB 3.48Å; E545-Y549 PolarHBondContact O-N 3.27Å; Y546-Y549 PolarHBondContact O-N 3.14Å; Y549-K551 PolarHBondContact O-N 2.9Å
550	K	96.5	Very high	94.9	Very high	103 Å²	103	92.9 Å²	92.9	45%	0.448	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-0.2	176.6	-64.8	-61.5	-172.7	179.4	0	114.2	Y546 A548 Y552	Y546-K550 HydrophobicContact CD2-CG 4.32Å; Y546-K550 HydrophobicContact CE1-CG 4.43Å; Y546-K550 HydrophobicContact CE2-CG 3.89Å; Y546-K550 WeakPolarHBondContact O-CB 3.47Å; Y546-K550 WeakPolarHBondContact O-CG 2.97Å; Y546-K550 PolarHBondContact O-N 3.07Å; A548-K550 VanDerWaalsContact C-N 3.31Å; A548-K550 PolarHBondContact O-N 3.16Å; K550-Y552 VanDerWaalsContact C-N 3.31Å; K550-Y552 HydrophobicContact CB-CD1 3.86Å; K550-Y552 HydrophobicContact CB-CE1 3.47Å; K550-Y552 VanDerWaalsContact CB-CE1 3.47Å; K550-Y552 HydrophobicContact CB-CE2 4.31Å; K550-Y552 HydrophobicContact CB-CG 4.44Å; K550-Y552 HydrophobicContact CG-CE1 4.29Å; K550-Y552 PolarHBondContact O-N 2.86Å
551	K	95	Very high	94.9	Very high	179 Å²	179	93 Å²	93	78%	0.778	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	42.7	178.9	-58.6	-176.4	-179.7	-178.1	0	113.6	M547 A548 Y549	M547-K551 PolarHBondContact O-N 3.3Å; M547-K551 VanDerWaalsContact O-N 3.16Å; A548-K551 WeakPolarHBondContact O-CA 3.25Å; A548-K551 PolarHBondContact O-N 3.07Å; Y549-K551 PolarHBondContact O-N 2.9Å
552	Y	94.8	Very high	94.8	Very high	64 Å²	64	88 Å²	88	25%	0.251	41%	0.405	S	S	.	.			trans	-64.1	145.7	-179.9	-68.2	-22.4	0	0	0	113.1	Y546 M547 K550 L556 R557 I560	Y546-Y552 HydrophobicContact CD1-CE2 4.34Å; Y546-Y552 HydrophobicContact CE1-CE2 4.02Å; Y546-Y552 WeakPolarHBondContact CE1-OH 3.22Å; Y546-Y552 PolarHBondContact OH-OH 2.77Å; M547-Y552 HydrophobicContact CB-CD2 3.92Å; M547-Y552 HydrophobicContact CG-CD2 3.77Å; M547-Y552 HydrophobicContact CG-CE2 4.24Å; M547-Y552 PolarHBondContact O-N 3.24Å; K550-Y552 VanDerWaalsContact C-N 3.31Å; K550-Y552 HydrophobicContact CB-CD1 3.86Å; K550-Y552 HydrophobicContact CB-CE1 3.47Å; K550-Y552 VanDerWaalsContact CB-CE1 3.47Å; K550-Y552 HydrophobicContact CB-CE2 4.31Å; K550-Y552 HydrophobicContact CB-CG 4.44Å; K550-Y552 HydrophobicContact CG-CE1 4.29Å; K550-Y552 PolarHBondContact O-N 2.86Å; Y552-L556 HydrophobicContact CD1-CD2 4.23Å; Y552-L556 HydrophobicContact CD2-CD2 4.17Å; Y552-L556 HydrophobicContact CG-CD2 3.95Å; Y552-R557 PolarHBondContact O-NE 3.27Å; Y552-R557 PolarHBondContact O-NH2 3.01Å; Y552-I560 HydrophobicContact CD2-CD1 4.07Å; Y552-I560 HydrophobicContact CE2-CD1 4.27Å
553	P	96.2	Very high	94.7	Very high	86 Å²	86	86.3 Å²	86.3	56%	0.558	39%	0.394	S	S	*	.			trans	-59.3	148.8	175.1	-23.2	33	0	0	0	112.8	A555 L556 R557	P553-A555 PolarHBondContact O-N 3.15Å; P553-A555 VanDerWaalsContact O-N 3.14Å; P553-L556 PolarHBondContact O-N 3.32Å; P553-R557 PolarHBondContact O-N 3.19Å
554	R	93.8	Very high	94.6	Very high	208 Å²	208	88.2 Å²	88.2	79%	0.785	40%	0.4	S	S	*	.	H	α-helix	trans	-55.1	-34.7	-179.5	-70.6	-175.9	176.4	176.7	-1.1	113.5	R558	R554-R558 PolarHBondContact O-N 2.83Å; R554-R558 VanDerWaalsContact O-N 3.11Å
555	A	94.8	Very high	94.5	Very high	59 Å²	59	89.7 Å²	89.7	49%	0.488	41%	0.407	S	S	.	.	H	α-helix	trans	-64.7	-45	176.9	0	0	0	0	0	111.8	P553 R558 R559	P553-A555 PolarHBondContact O-N 3.15Å; P553-A555 VanDerWaalsContact O-N 3.14Å; A555-R558 PolarHBondContact O-N 3.46Å; A555-R559 PolarHBondContact O-N 3.1Å; A555-R559 VanDerWaalsContact O-N 3.1Å
556	L	95.1	Very high	94.4	Very high	67 Å²	67	89.6 Å²	89.6	35%	0.351	41%	0.406	S	S	.	.	H	α-helix	trans	-66.6	-39.3	177.6	-176.6	59.8	0	0	0	111.5	Y552 P553 R558 R559 I560	Y552-L556 HydrophobicContact CD1-CD2 4.23Å; Y552-L556 HydrophobicContact CD2-CD2 4.17Å; Y552-L556 HydrophobicContact CG-CD2 3.95Å; P553-L556 PolarHBondContact O-N 3.32Å; L556-R558 PolarHBondContact O-N 2.93Å; L556-R559 PolarHBondContact O-N 2.88Å; L556-I560 HydrophobicContact CD1-CD1 4.32Å; L556-I560 HydrophobicContact CD1-CG1 4.42Å; L556-I560 HydrophobicContact CG-CD1 3.99Å; L556-I560 WeakPolarHBondContact O-CG1 3.46Å; L556-I560 PolarHBondContact O-N 3.24Å
557	R	94.4	Very high	94.2	Very high	93 Å²	93	86.4 Å²	86.4	35%	0.351	39%	0.393	S	S	.	.	H	α-helix	trans	-60	-45	175.6	-62.6	-172.2	-165.2	-176.6	0.6	112.4	M547 Y552 P553 R559 I560 A561	M547-R557 HydrophobicContact CB-CG 4.18Å; M547-R557 HydrophobicContact CE-CB 4.4Å; M547-R557 HydrophobicContact SD-CB 3.93Å; M547-R557 HydrophobicContact SD-CG 3.87Å; Y552-R557 PolarHBondContact O-NE 3.27Å; Y552-R557 PolarHBondContact O-NH2 3.01Å; P553-R557 PolarHBondContact O-N 3.19Å; R557-R559 PolarHBondContact O-N 3.38Å; R557-I560 PolarHBondContact O-N 3.48Å; R557-A561 WeakPolarHBondContact O-CB 3.12Å; R557-A561 PolarHBondContact O-N 2.82Å
558	R	94.1	Very high	93.9	Very high	185 Å²	185	89.2 Å²	89.2	70%	0.698	40%	0.404	S	S	*	.	H	α-helix	trans	-61.5	-41.9	175.9	-81.3	-174.9	-89	154.1	-10.7	112.2	R554 A555 L556 A561 G562	R554-R558 PolarHBondContact O-N 2.83Å; R554-R558 VanDerWaalsContact O-N 3.11Å; A555-R558 PolarHBondContact O-N 3.46Å; L556-R558 PolarHBondContact O-N 2.93Å; R558-A561 PolarHBondContact O-N 3.45Å; R558-G562 PolarHBondContact O-N 3.49Å
559	R	95.1	Very high	93.7	Very high	128 Å²	128	96.2 Å²	96.2	48%	0.483	43%	0.431	S	S	.	.	H	α-helix	trans	-61.3	-47.3	174.9	-74.6	-177.3	64.3	-174.7	1.2	112.2	A555 L556 R557 A561 G562 Y563 Q626 D629	A555-R559 PolarHBondContact O-N 3.1Å; A555-R559 VanDerWaalsContact O-N 3.1Å; L556-R559 PolarHBondContact O-N 2.88Å; R557-R559 PolarHBondContact O-N 3.38Å; R559-A561 PolarHBondContact O-N 2.86Å; R559-G562 PolarHBondContact O-N 3.38Å; R559-Y563 PolarHBondContact O-N 2.85Å; R559-Q626 PolarHBondContact O-NE2 3.48Å; R559-Q626 PolarHBondContact O-OE1 3.1Å; R559-D629 IonicContact CZ-OD1 3.83Å; R559-D629 IonicContact NH2-OD1 2.85Å; R559-D629 PolarHBondContact NH2-OD1 3.28Å
560	I	95.1	Very high	93.2	Very high	37 Å²	37	90.7 Å²	90.7	19%	0.19	42%	0.417	C	S	.	.	H	α-helix	trans	-60	-46.7	176.9	-66.7	166.8	0	0	0	110.5	V543 M547 Y552 L556 R557 G562 Y563 Y564	V543-I560 HydrophobicContact CG1-CG2 3.74Å; M547-I560 HydrophobicContact CG-CD1 4.05Å; M547-I560 HydrophobicContact SD-CB 3.79Å; M547-I560 HydrophobicContact SD-CD1 3.63Å; M547-I560 HydrophobicContact SD-CG1 4.3Å; M547-I560 HydrophobicContact SD-CG2 3.78Å; Y552-I560 HydrophobicContact CD2-CD1 4.07Å; Y552-I560 HydrophobicContact CE2-CD1 4.27Å; L556-I560 HydrophobicContact CD1-CD1 4.32Å; L556-I560 HydrophobicContact CD1-CG1 4.42Å; L556-I560 HydrophobicContact CG-CD1 3.99Å; L556-I560 WeakPolarHBondContact O-CG1 3.46Å; L556-I560 PolarHBondContact O-N 3.24Å; R557-I560 PolarHBondContact O-N 3.48Å; I560-G562 PolarHBondContact O-N 2.88Å; I560-Y563 WeakPolarHBondContact O-CB 3.38Å; I560-Y563 PolarHBondContact O-N 3.13Å; I560-Y564 HydrophobicContact CG2-CD2 3.83Å; I560-Y564 HydrophobicContact CG2-CE2 3.83Å; I560-Y564 WeakPolarHBondContact O-CD2 3.32Å; I560-Y564 PolarHBondContact O-N 2.83Å
561	A	92.3	Very high	92.8	Very high	40 Å²	40	91 Å²	91	33%	0.331	42%	0.419	S	S	.	.	H	α-helix	trans	-58.7	-47.9	177.8	0	0	0	0	0	112.3	R557 R558 R559 Y563 Y564 E565	R557-A561 WeakPolarHBondContact O-CB 3.12Å; R557-A561 PolarHBondContact O-N 2.82Å; R558-A561 PolarHBondContact O-N 3.45Å; R559-A561 PolarHBondContact O-N 2.86Å; A561-Y563 VanDerWaalsContact C-N 3.29Å; A561-Y563 PolarHBondContact O-N 3.18Å; A561-Y564 PolarHBondContact O-N 2.93Å; A561-E565 PolarHBondContact O-N 3.26Å
562	G	92.8	Very high	92.4	Very high	17 Å²	17	84.7 Å²	84.7	18%	0.175	39%	0.392	C	S	.	.	H	α-helix	trans	-63.2	-32.1	176.6	0	0	0	0	0	113.5	R558 R559 I560 H566	R558-G562 PolarHBondContact O-N 3.49Å; R559-G562 PolarHBondContact O-N 3.38Å; I560-G562 PolarHBondContact O-N 2.88Å; G562-H566 WeakPolarHBondContact O-CB 3.36Å; G562-H566 PolarHBondContact O-N 3.48Å
563	Y	94.7	Very high	92.1	Very high	79 Å²	79	87.4 Å²	87.4	31%	0.31	41%	0.406	S	S	.	.	H	α-helix	trans	-64.8	-49.1	173.9	171.4	-92.4	0	0	0	111.2	R559 I560 A561 E565 H566 R567 V624	R559-Y563 PolarHBondContact O-N 2.85Å; I560-Y563 WeakPolarHBondContact O-CB 3.38Å; I560-Y563 PolarHBondContact O-N 3.13Å; A561-Y563 VanDerWaalsContact C-N 3.29Å; A561-Y563 PolarHBondContact O-N 3.18Å; Y563-E565 VanDerWaalsContact C-N 3.34Å; Y563-E565 PolarHBondContact O-N 3.03Å; Y563-H566 PolarHBondContact O-N 3.27Å; Y563-R567 HydrophobicContact CE1-CB 4.42Å; Y563-R567 WeakPolarHBondContact O-CB 3.41Å; Y563-R567 PolarHBondContact O-N 3.4Å; Y563-V624 HydrophobicContact CE2-CB 4.32Å; Y563-V624 WeakPolarHBondContact CE2-O 3.48Å
564	Y	93	Very high	91.6	Very high	55 Å²	55	87.5 Å²	87.5	22%	0.216	40%	0.402	C	S	.	.	H	α-helix	trans	-63.9	-39.8	179.2	-87.6	-87.3	0	0	0	112.1	V543 I560 A561 Y568	V543-Y564 HydrophobicContact CB-CE2 4.5Å; V543-Y564 HydrophobicContact CG1-CD2 4.34Å; V543-Y564 HydrophobicContact CG1-CE2 3.83Å; V543-Y564 HydrophobicContact CG2-CE1 4.12Å; V543-Y564 HydrophobicContact CG2-CE2 3.94Å; V543-Y564 WeakPolarHBondContact CG2-OH 3.33Å; I560-Y564 HydrophobicContact CG2-CD2 3.83Å; I560-Y564 HydrophobicContact CG2-CE2 3.83Å; I560-Y564 WeakPolarHBondContact O-CD2 3.32Å; I560-Y564 PolarHBondContact O-N 2.83Å; A561-Y564 PolarHBondContact O-N 2.93Å; Y564-Y568 AromaticContact CD1-CD2 3.74Å; Y564-Y568 HydrophobicContact CD1-CD2 3.74Å; Y564-Y568 AromaticContact CD1-CE2 3.67Å; Y564-Y568 HydrophobicContact CD1-CE2 3.67Å; Y564-Y568 HydrophobicContact CE1-CD2 4.39Å; Y564-Y568 AromaticContact CE1-CE2 3.87Å; Y564-Y568 HydrophobicContact CE1-CE2 3.87Å; Y564-Y568 WeakPolarHBondContact O-CB 3.38Å; Y564-Y568 PolarHBondContact O-N 3.38Å
565	E	92.1	Very high	91.3	Very high	131 Å²	131	81.8 Å²	81.8	61%	0.612	38%	0.384	S	S	*	.	H	α-helix	trans	-61.4	-48.6	176.6	-175.3	173.4	-167.5	0	0	111.6	A561 Y563 K569	A561-E565 PolarHBondContact O-N 3.26Å; Y563-E565 VanDerWaalsContact C-N 3.34Å; Y563-E565 PolarHBondContact O-N 3.03Å; E565-K569 VanDerWaalsContact O-CA 3.28Å; E565-K569 WeakPolarHBondContact O-CA 3.35Å; E565-K569 PolarHBondContact O-N 3.26Å
566	H	90.9	Very high	90.9	Very high	61 Å²	61	87.6 Å²	87.6	28%	0.282	40%	0.398	S	S	.	.	H	α-helix	trans	-68.9	-41.4	179.6	-163	82.9	0	0	0	112.4	G562 Y563 Y688	G562-H566 WeakPolarHBondContact O-CB 3.36Å; G562-H566 PolarHBondContact O-N 3.48Å; Y563-H566 PolarHBondContact O-N 3.27Å; H566-Y688 HydrophobicContact CB-CD1 4.14Å; H566-Y688 HydrophobicContact CB-CE1 4.09Å; H566-Y688 AromaticContact CD2-CD1 3.79Å; H566-Y688 AromaticContact CE1-CG 3.87Å; H566-Y688 AromaticContact CG-CD1 3.68Å; H566-Y688 AromaticContact ND1-CD1 3.92Å; H566-Y688 AromaticContact ND1-CG 3.95Å
567	R	92	Very high	90.7	Very high	54 Å²	54	89.7 Å²	89.7	20%	0.204	41%	0.406	C	S	.	.	H	α-helix	trans	-69.2	-36.6	-177	178.3	59	-174.7	85.3	-10.3	113.7	Y563	Y563-R567 HydrophobicContact CE1-CB 4.42Å; Y563-R567 WeakPolarHBondContact O-CB 3.41Å; Y563-R567 PolarHBondContact O-N 3.4Å
568	Y	90	Very high	90.5	Very high	69 Å²	69	89.3 Å²	89.3	27%	0.271	41%	0.41	S	S	.	.	H	α-helix	trans	-114.7	-12.7	-171.7	-67.4	-72.3	0	0	0	114.1	Y564 G570 K571	Y564-Y568 AromaticContact CD1-CD2 3.74Å; Y564-Y568 HydrophobicContact CD1-CD2 3.74Å; Y564-Y568 AromaticContact CD1-CE2 3.67Å; Y564-Y568 HydrophobicContact CD1-CE2 3.67Å; Y564-Y568 HydrophobicContact CE1-CD2 4.39Å; Y564-Y568 AromaticContact CE1-CE2 3.87Å; Y564-Y568 HydrophobicContact CE1-CE2 3.87Å; Y564-Y568 WeakPolarHBondContact O-CB 3.38Å; Y564-Y568 PolarHBondContact O-N 3.38Å; Y568-G570 PolarHBondContact O-N 2.67Å; Y568-G570 VanDerWaalsContact O-N 3.11Å; Y568-K571 WeakPolarHBondContact CB-O 3.31Å; Y568-K571 PolarHBondContact O-N 3.11Å
569	K	89.3	Confident	90.3	Very high	163 Å²	163	82.1 Å²	82.1	71%	0.709	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	39.9	176.6	-56.6	-176.6	179.7	-178.3	0	113	E565 K571	E565-K569 VanDerWaalsContact O-CA 3.28Å; E565-K569 WeakPolarHBondContact O-CA 3.35Å; E565-K569 PolarHBondContact O-N 3.26Å; K569-K571 VanDerWaalsContact C-N 3.32Å; K569-K571 PolarHBondContact O-N 3.49Å
570	G	86	Confident	90.1	Very high	26 Å²	26	78.4 Å²	78.4	27%	0.268	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.9	4.2	178.1	0	0	0	0	0	116.4	Y568	Y568-G570 PolarHBondContact O-N 2.67Å; Y568-G570 VanDerWaalsContact O-N 3.11Å
571	K	87.8	Confident	89.9	Confident	111 Å²	111	83.2 Å²	83.2	48%	0.483	41%	0.408	S	S	.	.			trans	-129	133.9	179.4	-63.9	-179.3	-178.2	175.7	0	110.7	Y568 K569 F573	Y568-K571 WeakPolarHBondContact CB-O 3.31Å; Y568-K571 PolarHBondContact O-N 3.11Å; K569-K571 VanDerWaalsContact C-N 3.32Å; K569-K571 PolarHBondContact O-N 3.49Å; K571-F573 HydrophobicContact CB-CD2 4.43Å; K571-F573 HydrophobicContact CB-CE2 3.55Å; K571-F573 HydrophobicContact CB-CZ 3.71Å; K571-F573 HydrophobicContact CD-CE2 4.3Å; K571-F573 HydrophobicContact CD-CZ 3.95Å; K571-F573 HydrophobicContact CG-CZ 4.4Å
572	M	86.3	Confident	89.8	Confident	46 Å²	46	83.9 Å²	83.9	23%	0.227	41%	0.406	C	S	.	.			trans	-111.3	125.2	179.7	-169	171.7	-173.1	0	0	111.5	K535 Y536 M539	K535-M572 HydrophobicContact CB-CB 4.44Å; Y536-M572 HydrophobicContact CD2-CB 4.49Å; M539-M572 HydrophobicContact CB-CE 4.13Å; M539-M572 HydrophobicContact CB-SD 3.35Å; M539-M572 WeakPolarHBondContact CB-SD 3.44Å; M539-M572 HydrophobicContact CE-CE 3.44Å; M539-M572 VanDerWaalsContact CE-CE 3.44Å; M539-M572 HydrophobicContact CE-SD 4.1Å; M539-M572 HydrophobicContact CG-CE 3.72Å; M539-M572 HydrophobicContact CG-SD 3.58Å; M539-M572 VanDerWaalsContact CG-SD 3.58Å; M539-M572 HydrophobicContact SD-CE 4.23Å
573	F	87.6	Confident	89.7	Confident	120 Å²	120	86 Å²	86	53%	0.526	42%	0.419	S	S	.	.			trans	-128.5	147.7	177.7	-52.2	-72.5	0	0	0	110.4	K571 E575 I578	K571-F573 HydrophobicContact CB-CD2 4.43Å; K571-F573 HydrophobicContact CB-CE2 3.55Å; K571-F573 HydrophobicContact CB-CZ 3.71Å; K571-F573 HydrophobicContact CD-CE2 4.3Å; K571-F573 HydrophobicContact CD-CZ 3.95Å; K571-F573 HydrophobicContact CG-CZ 4.4Å; F573-E575 PolarHBondContact O-N 2.79Å; F573-I578 HydrophobicContact CB-CD1 4.14Å
574	N	87.6	Confident	89.3	Confident	89 Å²	89	88.7 Å²	88.7	48%	0.476	43%	0.434	S	S	.	.			trans	-93.8	80.4	167.8	-170.2	0.1	0	0	0	109	K576 E577 I578	N574-K576 PolarHBondContact O-N 3.44Å; N574-E577 HydrophobicContact CB-CB 4.06Å; N574-E577 VanDerWaalsContact ND2-CB 3.33Å; N574-E577 WeakPolarHBondContact ND2-CB 3.34Å; N574-E577 PolarHBondContact ND2-OE2 3.34Å; N574-E577 PolarHBondContact O-N 2.98Å; N574-E577 VanDerWaalsContact O-N 3.12Å; N574-I578 WeakPolarHBondContact O-CG1 3.32Å; N574-I578 PolarHBondContact O-N 2.8Å
575	E	86.6	Confident	89.1	Confident	87 Å²	87	90.1 Å²	90.1	41%	0.407	45%	0.451	S	S	.	.	H	α-helix	trans	-55.5	-38.6	-173.8	-173.1	174.4	-171.8	0	0	112.8	F573 E577 I578 L579	F573-E575 PolarHBondContact O-N 2.79Å; E575-E577 PolarHBondContact O-N 3.21Å; E575-I578 PolarHBondContact O-N 3.39Å; E575-L579 HydrophobicContact CG-CD1 3.9Å; E575-L579 HydrophobicContact CG-CG 4.32Å; E575-L579 WeakPolarHBondContact O-CB 3.23Å; E575-L579 VanDerWaalsContact O-CG 3.3Å; E575-L579 WeakPolarHBondContact O-CG 3.16Å; E575-L579 PolarHBondContact O-N 3.32Å
576	K	86.4	Confident	89	Confident	181 Å²	181	87.8 Å²	87.8	79%	0.787	44%	0.442	S	S	*	.	H	α-helix	trans	-65.2	-38.7	178.8	-66.8	-177.1	-179.8	178.2	0	113.2	N574 G580	N574-K576 PolarHBondContact O-N 3.44Å; K576-G580 PolarHBondContact O-N 2.78Å
577	E	90.3	Very high	88.9	Confident	112 Å²	112	88.8 Å²	88.8	52%	0.523	44%	0.443	S	S	.	.	H	α-helix	trans	-71.8	-44.1	178.3	-176.9	172.1	-154.1	0	0	110.4	N574 E575 G580 E581	N574-E577 HydrophobicContact CB-CB 4.06Å; N574-E577 VanDerWaalsContact ND2-CB 3.33Å; N574-E577 WeakPolarHBondContact ND2-CB 3.34Å; N574-E577 PolarHBondContact ND2-OE2 3.34Å; N574-E577 PolarHBondContact O-N 2.98Å; N574-E577 VanDerWaalsContact O-N 3.12Å; E575-E577 PolarHBondContact O-N 3.21Å; E577-G580 PolarHBondContact O-N 3.36Å; E577-G580 VanDerWaalsContact O-N 3.16Å; E577-E581 PolarHBondContact O-N 3.03Å; E577-E581 VanDerWaalsContact O-N 3.09Å
578	I	91.5	Very high	88.5	Confident	85 Å²	85	90.2 Å²	90.2	44%	0.436	45%	0.452	S	S	.	.	H	α-helix	trans	-60.4	-53	177.5	-64.1	166.8	0	0	0	110.6	F573 N574 E575 G580 E581 L582	F573-I578 HydrophobicContact CB-CD1 4.14Å; N574-I578 WeakPolarHBondContact O-CG1 3.32Å; N574-I578 PolarHBondContact O-N 2.8Å; E575-I578 PolarHBondContact O-N 3.39Å; I578-G580 PolarHBondContact O-N 2.78Å; I578-E581 PolarHBondContact O-N 2.97Å; I578-E581 VanDerWaalsContact O-N 3.16Å; I578-L582 WeakPolarHBondContact O-CG 3.45Å; I578-L582 PolarHBondContact O-N 2.98Å
579	L	89.2	Confident	88.4	Confident	33 Å²	33	93 Å²	93	17%	0.173	47%	0.468	C	S	.	.	H	α-helix	trans	-63.5	-28.5	178.2	-66.7	177.4	0	0	0	112.1	E575 L582 R587 I590	E575-L579 HydrophobicContact CG-CD1 3.9Å; E575-L579 HydrophobicContact CG-CG 4.32Å; E575-L579 WeakPolarHBondContact O-CB 3.23Å; E575-L579 VanDerWaalsContact O-CG 3.3Å; E575-L579 WeakPolarHBondContact O-CG 3.16Å; E575-L579 PolarHBondContact O-N 3.32Å; L579-L582 HydrophobicContact CD2-CD1 4.24Å; L579-R587 HydrophobicContact CB-CG 4.42Å; L579-R587 HydrophobicContact CD2-CG 4.49Å; L579-R587 VanDerWaalsContact O-CZ 3.29Å; L579-R587 PolarHBondContact O-NE 3.39Å; L579-R587 PolarHBondContact O-NH2 2.97Å; L579-I590 HydrophobicContact CD2-CG2 4.11Å
580	G	90	Very high	88.4	Confident	50 Å²	50	88.1 Å²	88.1	52%	0.515	45%	0.449	S	S	.	.	H	α-helix	trans	-70.7	-26.7	176.3	0	0	0	0	0	114.5	K576 E577 I578	K576-G580 PolarHBondContact O-N 2.78Å; E577-G580 PolarHBondContact O-N 3.36Å; E577-G580 VanDerWaalsContact O-N 3.16Å; I578-G580 PolarHBondContact O-N 2.78Å
581	E	91.1	Very high	88.5	Confident	138 Å²	138	88.2 Å²	88.2	65%	0.645	44%	0.443	S	S	*	.	H	α-helix	trans	-82.4	-21.7	176.3	-71.7	-177.2	171.5	0	0	113.2	E577 I578	E577-E581 PolarHBondContact O-N 3.03Å; E577-E581 VanDerWaalsContact O-N 3.09Å; I578-E581 PolarHBondContact O-N 2.97Å; I578-E581 VanDerWaalsContact O-N 3.16Å
582	L	90.8	Very high	88.5	Confident	54 Å²	54	85.2 Å²	85.2	28%	0.283	43%	0.432	S	S	.	.	S	Bend	trans	-76.3	152.5	178.1	-61.5	176.7	0	0	0	111.9	I578 L579 L586 R587 I590	I578-L582 WeakPolarHBondContact O-CG 3.45Å; I578-L582 PolarHBondContact O-N 2.98Å; L579-L582 HydrophobicContact CD2-CD1 4.24Å; L582-L586 HydrophobicContact CB-CB 4.37Å; L582-R587 PolarHBondContact O-NH2 3.38Å; L582-I590 HydrophobicContact CD1-CD1 3.34Å
583	S	90.8	Very high	88.6	Confident	63 Å²	63	89.5 Å²	89.5	44%	0.441	45%	0.447	S	S	.	.			trans	-62.5	157.1	169.2	64.2	0	0	0	0	110.8	C585 L586 R587	S583-C585 PolarHBondContact O-N 2.83Å; S583-L586 PolarHBondContact O-N 2.95Å; S583-L586 WeakPolarHBondContact OG-CB 3.49Å; S583-L586 WeakPolarHBondContact OG-CD1 3.46Å; S583-L586 VanDerWaalsContact OG-CG 3.31Å; S583-L586 WeakPolarHBondContact OG-CG 3.47Å; S583-R587 WeakPolarHBondContact O-CB 3.36Å; S583-R587 PolarHBondContact O-N 3.46Å
584	E	87.1	Confident	88.6	Confident	135 Å²	135	87.1 Å²	87.1	63%	0.631	44%	0.44	S	S	*	.	H	α-helix	trans	-57.6	-48.3	-179.3	-173.8	165	-155.3	0	0	112	L586 R587 E588	E584-L586 VanDerWaalsContact C-N 3.34Å; E584-L586 PolarHBondContact O-N 3.44Å; E584-R587 WeakPolarHBondContact O-CB 3.3Å; E584-R587 PolarHBondContact O-N 2.88Å; E584-R587 VanDerWaalsContact O-N 3.14Å; E584-E588 WeakPolarHBondContact O-CG 3.49Å; E584-E588 PolarHBondContact O-N 3.21Å
585	C	87.6	Confident	88.6	Confident	84 Å²	84	83 Å²	83	57%	0.568	42%	0.418	S	S	*	.	H	α-helix	trans	-59.6	-41.8	177.9	-48.4	0	0	0	0	112.7	S583 Q589	S583-C585 PolarHBondContact O-N 2.83Å; C585-Q589 WeakPolarHBondContact O-CB 3.31Å; C585-Q589 VanDerWaalsContact O-CG 3.26Å; C585-Q589 WeakPolarHBondContact O-CG 3.48Å; C585-Q589 PolarHBondContact O-N 3.2Å
586	L	89.8	Confident	88.6	Confident	82 Å²	82	85.7 Å²	85.7	43%	0.429	42%	0.424	S	S	.	.	H	α-helix	trans	-68.7	-38.8	177.8	-74.7	175.6	0	0	0	111.6	L582 S583 E584 Q589 I590	L582-L586 HydrophobicContact CB-CB 4.37Å; S583-L586 PolarHBondContact O-N 2.95Å; S583-L586 WeakPolarHBondContact OG-CB 3.49Å; S583-L586 WeakPolarHBondContact OG-CD1 3.46Å; S583-L586 VanDerWaalsContact OG-CG 3.31Å; S583-L586 WeakPolarHBondContact OG-CG 3.47Å; E584-L586 VanDerWaalsContact C-N 3.34Å; E584-L586 PolarHBondContact O-N 3.44Å; L586-Q589 PolarHBondContact O-N 3.01Å; L586-I590 WeakPolarHBondContact O-CB 3.46Å; L586-I590 WeakPolarHBondContact O-CD1 3.49Å; L586-I590 VanDerWaalsContact O-CG1 3.25Å; L586-I590 WeakPolarHBondContact O-CG1 3.48Å; L586-I590 PolarHBondContact O-N 3.42Å
587	R	88.5	Confident	88.5	Confident	83 Å²	83	80 Å²	80	31%	0.313	41%	0.41	S	S	.	.	H	α-helix	trans	-61	-49.6	175.5	-177	-172.8	-57.9	148.7	9.3	110.3	L579 L582 S583 E584 Q589 I590 I591	L579-R587 HydrophobicContact CB-CG 4.42Å; L579-R587 HydrophobicContact CD2-CG 4.49Å; L579-R587 VanDerWaalsContact O-CZ 3.29Å; L579-R587 PolarHBondContact O-NE 3.39Å; L579-R587 PolarHBondContact O-NH2 2.97Å; L582-R587 PolarHBondContact O-NH2 3.38Å; S583-R587 WeakPolarHBondContact O-CB 3.36Å; S583-R587 PolarHBondContact O-N 3.46Å; E584-R587 WeakPolarHBondContact O-CB 3.3Å; E584-R587 PolarHBondContact O-N 2.88Å; E584-R587 VanDerWaalsContact O-N 3.14Å; R587-Q589 PolarHBondContact O-N 3.23Å; R587-I590 PolarHBondContact O-N 2.97Å; R587-I591 HydrophobicContact CG-CD1 3.78Å; R587-I591 HydrophobicContact CG-CG1 4.43Å; R587-I591 VanDerWaalsContact O-CG1 3.23Å; R587-I591 WeakPolarHBondContact O-CG1 3.5Å; R587-I591 PolarHBondContact O-N 3.4Å
588	E	84.5	Confident	88.4	Confident	83 Å²	83	74.6 Å²	74.6	39%	0.388	39%	0.385	S	S	.	.	H	α-helix	trans	-58.5	-47.2	177.3	-72.9	176.1	172.1	0	0	111.8	E584 I590 I591 N592 V618	E584-E588 WeakPolarHBondContact O-CG 3.49Å; E584-E588 PolarHBondContact O-N 3.21Å; E588-I590 VanDerWaalsContact C-N 3.34Å; E588-I590 PolarHBondContact O-N 3.2Å; E588-I591 PolarHBondContact O-N 3.2Å; E588-N592 VanDerWaalsContact O-CB 3.28Å; E588-N592 WeakPolarHBondContact O-CB 3.39Å; E588-N592 VanDerWaalsContact O-CG 3.28Å; E588-N592 PolarHBondContact O-N 2.95Å; E588-N592 PolarHBondContact O-ND2 3.18Å; E588-V618 HydrophobicContact CG-CG2 4.46Å
589	Q	87.3	Confident	88.2	Confident	127 Å²	127	71.9 Å²	71.9	59%	0.593	37%	0.373	S	S	*	.	H	α-helix	trans	-57.9	-43.7	176.7	-75.8	176.8	-2.6	0	0	112.5	C585 L586 R587 Y593	C585-Q589 WeakPolarHBondContact O-CB 3.31Å; C585-Q589 VanDerWaalsContact O-CG 3.26Å; C585-Q589 WeakPolarHBondContact O-CG 3.48Å; C585-Q589 PolarHBondContact O-N 3.2Å; L586-Q589 PolarHBondContact O-N 3.01Å; R587-Q589 PolarHBondContact O-N 3.23Å; Q589-Y593 VanDerWaalsContact O-CB 3.3Å; Q589-Y593 WeakPolarHBondContact O-CB 3.41Å; Q589-Y593 PolarHBondContact O-N 3.12Å
590	I	90.2	Very high	88	Confident	62 Å²	62	74.1 Å²	74.1	32%	0.318	40%	0.396	S	S	.	.	H	α-helix	trans	-66.2	-44.9	178.5	-70.8	166.2	0	0	0	111.4	L579 L582 L586 R587 E588 Y593 N594	L579-I590 HydrophobicContact CD2-CG2 4.11Å; L582-I590 HydrophobicContact CD1-CD1 3.34Å; L586-I590 WeakPolarHBondContact O-CB 3.46Å; L586-I590 WeakPolarHBondContact O-CD1 3.49Å; L586-I590 VanDerWaalsContact O-CG1 3.25Å; L586-I590 WeakPolarHBondContact O-CG1 3.48Å; L586-I590 PolarHBondContact O-N 3.42Å; R587-I590 PolarHBondContact O-N 2.97Å; E588-I590 VanDerWaalsContact C-N 3.34Å; E588-I590 PolarHBondContact O-N 3.2Å; I590-Y593 PolarHBondContact O-N 3.15Å; I590-N594 WeakPolarHBondContact O-CB 3.26Å; I590-N594 VanDerWaalsContact O-CG 3.29Å; I590-N594 PolarHBondContact O-N 3.34Å
591	I	87.7	Confident	87.7	Confident	28 Å²	28	74 Å²	74	14%	0.144	39%	0.387	C	S	.	.	H	α-helix	trans	-67.4	-42.4	-178.6	-58.1	169.3	0	0	0	109.8	R587 E588 Y593 N594 C595 I617	R587-I591 HydrophobicContact CG-CD1 3.78Å; R587-I591 HydrophobicContact CG-CG1 4.43Å; R587-I591 VanDerWaalsContact O-CG1 3.23Å; R587-I591 WeakPolarHBondContact O-CG1 3.5Å; R587-I591 PolarHBondContact O-N 3.4Å; E588-I591 PolarHBondContact O-N 3.2Å; I591-Y593 VanDerWaalsContact C-N 3.32Å; I591-Y593 PolarHBondContact O-N 3.36Å; I591-N594 PolarHBondContact O-N 2.7Å; I591-C595 WeakPolarHBondContact O-CB 3.23Å; I591-C595 PolarHBondContact O-N 2.85Å; I591-C595 PolarHBondContact O-SG 3.35Å; I591-C595 VanDerWaalsContact O-SG 3.39Å; I591-I617 HydrophobicContact CB-CG2 4.22Å; I591-I617 HydrophobicContact CG2-CG2 3.3Å
592	N	86.8	Confident	87.5	Confident	47 Å²	47	67.5 Å²	67.5	25%	0.251	36%	0.357	S	S	.	.	H	α-helix	trans	-59.6	-42.3	173.7	-76	-23.7	0	0	0	111.5	E588 C595 R596	E588-N592 VanDerWaalsContact O-CB 3.28Å; E588-N592 WeakPolarHBondContact O-CB 3.39Å; E588-N592 VanDerWaalsContact O-CG 3.28Å; E588-N592 PolarHBondContact O-N 2.95Å; E588-N592 PolarHBondContact O-ND2 3.18Å; N592-C595 PolarHBondContact O-N 3.34Å; N592-R596 PolarHBondContact O-N 3.01Å
593	Y	89.2	Confident	87.2	Confident	137 Å²	137	69 Å²	69	54%	0.537	37%	0.37	S	S	.	.	H	α-helix	trans	-62.4	-44.5	175.2	-173.7	-87.8	0	0	0	112.3	Q589 I590 I591 C595 R596	Q589-Y593 VanDerWaalsContact O-CB 3.3Å; Q589-Y593 WeakPolarHBondContact O-CB 3.41Å; Q589-Y593 PolarHBondContact O-N 3.12Å; I590-Y593 PolarHBondContact O-N 3.15Å; I591-Y593 VanDerWaalsContact C-N 3.32Å; I591-Y593 PolarHBondContact O-N 3.36Å; Y593-C595 VanDerWaalsContact C-N 3.3Å; Y593-C595 PolarHBondContact O-N 2.8Å; Y593-R596 VanDerWaalsContact CZ-CZ 3.43Å; Y593-R596 VanDerWaalsContact CZ-NH1 3.25Å; Y593-R596 WeakPolarHBondContact O-CD 3.38Å; Y593-R596 WeakPolarHBondContact O-CG 3.3Å; Y593-R596 PolarHBondContact O-N 3.21Å; Y593-R596 PolarHBondContact OH-NH1 3.27Å; Y593-R596 PolarHBondContact OH-NH2 3.22Å; Y593-R596 VanDerWaalsContact OH-NH2 3.15Å
594	N	87.5	Confident	86.8	Confident	70 Å²	70	66.9 Å²	66.9	37%	0.374	35%	0.353	S	S	.	.	H	α-helix	trans	-65.5	-33.4	178.6	-72.7	-15.1	0	0	0	112.5	I590 I591	I590-N594 WeakPolarHBondContact O-CB 3.26Å; I590-N594 VanDerWaalsContact O-CG 3.29Å; I590-N594 PolarHBondContact O-N 3.34Å; I591-N594 PolarHBondContact O-N 2.7Å
595	C	87.1	Confident	86.7	Confident	2 Å²	2	60.8 Å²	60.8	1%	0.014	33%	0.325	C	S	.	.	H	α-helix	trans	-94.1	-2.7	-178	-62	0	0	0	0	113.7	I591 N592 Y593 A597 L598 V599 I617	I591-C595 WeakPolarHBondContact O-CB 3.23Å; I591-C595 PolarHBondContact O-N 2.85Å; I591-C595 PolarHBondContact O-SG 3.35Å; I591-C595 VanDerWaalsContact O-SG 3.39Å; N592-C595 PolarHBondContact O-N 3.34Å; Y593-C595 VanDerWaalsContact C-N 3.3Å; Y593-C595 PolarHBondContact O-N 2.8Å; C595-A597 PolarHBondContact O-N 2.92Å; C595-A597 VanDerWaalsContact O-N 3.13Å; C595-L598 WeakPolarHBondContact O-CA 3.23Å; C595-L598 VanDerWaalsContact O-CB 3.28Å; C595-L598 WeakPolarHBondContact O-CB 3.48Å; C595-L598 PolarHBondContact O-N 3.24Å; C595-V599 HydrophobicContact CB-CG2 4.49Å; C595-V599 WeakPolarHBondContact O-CG2 3.38Å; C595-V599 PolarHBondContact O-N 3.47Å; C595-I617 HydrophobicContact CB-CD1 4.16Å; C595-I617 HydrophobicContact CB-CG1 4.13Å; C595-I617 HydrophobicContact CB-CG2 3.89Å
596	R	86.7	Confident	86.2	Confident	144 Å²	144	59.8 Å²	59.8	54%	0.543	32%	0.323	S	S	.	.	H	α-helix	trans	-52.6	-40.1	-176.2	74.3	-170.9	173.7	175.7	-6.1	113.8	N592 Y593 V599 A600	N592-R596 PolarHBondContact O-N 3.01Å; Y593-R596 VanDerWaalsContact CZ-CZ 3.43Å; Y593-R596 VanDerWaalsContact CZ-NH1 3.25Å; Y593-R596 WeakPolarHBondContact O-CD 3.38Å; Y593-R596 WeakPolarHBondContact O-CG 3.3Å; Y593-R596 PolarHBondContact O-N 3.21Å; Y593-R596 PolarHBondContact OH-NH1 3.27Å; Y593-R596 PolarHBondContact OH-NH2 3.22Å; Y593-R596 VanDerWaalsContact OH-NH2 3.15Å; R596-V599 PolarHBondContact O-N 2.8Å; R596-A600 WeakPolarHBondContact O-CB 3.35Å; R596-A600 PolarHBondContact O-N 3.2Å
597	A	85.8	Confident	85.7	Confident	60 Å²	60	63.1 Å²	63.1	50%	0.496	34%	0.341	S	S	.	.	H	α-helix	trans	-68.1	-39.5	178.7	0	0	0	0	0	110.9	C595 S601	C595-A597 PolarHBondContact O-N 2.92Å; C595-A597 VanDerWaalsContact O-N 3.13Å; A597-S601 VanDerWaalsContact O-CB 3.26Å; A597-S601 WeakPolarHBondContact O-CB 3.27Å; A597-S601 PolarHBondContact O-N 3.23Å; A597-S601 PolarHBondContact O-OG 2.99Å; A597-S601 VanDerWaalsContact O-OG 3.07Å
598	L	87.3	Confident	85.5	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-63.9	-49.8	175.2	-172.1	74.9	0	0	0	110.7	C595 A600 S601 V602 L620 F643 Q645 Y692	C595-L598 WeakPolarHBondContact O-CA 3.23Å; C595-L598 VanDerWaalsContact O-CB 3.28Å; C595-L598 WeakPolarHBondContact O-CB 3.48Å; C595-L598 PolarHBondContact O-N 3.24Å; L598-A600 VanDerWaalsContact C-N 3.32Å; L598-A600 PolarHBondContact O-N 3.07Å; L598-S601 WeakPolarHBondContact CA-OG 3.5Å; L598-S601 PolarHBondContact O-N 3.48Å; L598-S601 VanDerWaalsContact O-N 3.09Å; L598-S601 PolarHBondContact O-OG 3.17Å; L598-V602 HydrophobicContact CD1-CG2 3.95Å; L598-V602 HydrophobicContact CG-CG2 4.05Å; L598-V602 VanDerWaalsContact O-CG2 3.29Å; L598-V602 WeakPolarHBondContact O-CG2 3.37Å; L598-V602 PolarHBondContact O-N 3.06Å; L598-L620 HydrophobicContact CD2-CD1 3.83Å; L598-F643 HydrophobicContact CD1-CB 3.99Å; L598-F643 HydrophobicContact CD2-CB 4.1Å; L598-Q645 HydrophobicContact CD1-CB 4.25Å; L598-Y692 HydrophobicContact CD1-CD2 4.42Å; L598-Y692 HydrophobicContact CD2-CD2 3.64Å; L598-Y692 HydrophobicContact CD2-CE2 4.24Å; L598-Y692 HydrophobicContact CD2-CG 4.16Å
599	V	86.8	Confident	85.5	Confident	28 Å²	28	60 Å²	60	17%	0.17	34%	0.336	C	S	.	.	H	α-helix	trans	-57.3	-44.8	179.7	176.2	0	0	0	0	111.6	C595 R596 S601 F605 V613 I617	C595-V599 HydrophobicContact CB-CG2 4.49Å; C595-V599 WeakPolarHBondContact O-CG2 3.38Å; C595-V599 PolarHBondContact O-N 3.47Å; R596-V599 PolarHBondContact O-N 2.8Å; V599-S601 VanDerWaalsContact C-N 3.33Å; V599-S601 PolarHBondContact O-N 3.29Å; V599-F605 HydrophobicContact CG1-CB 4.12Å; V599-V613 HydrophobicContact CG1-CG1 3.89Å; V599-V613 HydrophobicContact CG2-CG1 3.91Å; V599-I617 HydrophobicContact CG2-CD1 3.34Å; V599-I617 HydrophobicContact CG2-CG1 4.17Å
600	A	85.5	Confident	85.4	Confident	80 Å²	80	59.7 Å²	59.7	66%	0.661	33%	0.334	S	S	*	.	H	α-helix	trans	-67.7	-33.1	177.8	0	0	0	0	0	112.9	R596 L598	R596-A600 WeakPolarHBondContact O-CB 3.35Å; R596-A600 PolarHBondContact O-N 3.2Å; L598-A600 VanDerWaalsContact C-N 3.32Å; L598-A600 PolarHBondContact O-N 3.07Å
601	S	84.6	Confident	85.2	Confident	48 Å²	48	61.6 Å²	61.6	34%	0.336	35%	0.345	S	S	.	.	H	α-helix	trans	-82.2	-31.4	-176.5	68	0	0	0	0	114.2	A597 L598 V599 P603 G665	A597-S601 VanDerWaalsContact O-CB 3.26Å; A597-S601 WeakPolarHBondContact O-CB 3.27Å; A597-S601 PolarHBondContact O-N 3.23Å; A597-S601 PolarHBondContact O-OG 2.99Å; A597-S601 VanDerWaalsContact O-OG 3.07Å; L598-S601 WeakPolarHBondContact CA-OG 3.5Å; L598-S601 PolarHBondContact O-N 3.48Å; L598-S601 VanDerWaalsContact O-N 3.09Å; L598-S601 PolarHBondContact O-OG 3.17Å; V599-S601 VanDerWaalsContact C-N 3.33Å; V599-S601 PolarHBondContact O-N 3.29Å; S601-P603 WeakPolarHBondContact O-CD 3.47Å; S601-G665 VanDerWaalsContact OG-CA 3.3Å; S601-G665 WeakPolarHBondContact OG-CA 3.47Å
602	V	86.6	Confident	85.3	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	34%	0.341	C	S	.	.			trans	-89.6	114.7	-174.8	-175	0	0	0	0	109.4	L598 I604 F605 A606 F643 G665 Y667	L598-V602 HydrophobicContact CD1-CG2 3.95Å; L598-V602 HydrophobicContact CG-CG2 4.05Å; L598-V602 VanDerWaalsContact O-CG2 3.29Å; L598-V602 WeakPolarHBondContact O-CG2 3.37Å; L598-V602 PolarHBondContact O-N 3.06Å; V602-I604 HydrophobicContact CG1-CB 4.38Å; V602-I604 HydrophobicContact CG1-CG2 3.67Å; V602-I604 PolarHBondContact O-N 3.44Å; V602-F605 HydrophobicContact CB-CD2 3.7Å; V602-F605 HydrophobicContact CB-CE2 4.23Å; V602-F605 HydrophobicContact CB-CG 4.44Å; V602-F605 HydrophobicContact CG1-CD2 4.04Å; V602-F605 HydrophobicContact CG1-CE2 4.28Å; V602-F605 HydrophobicContact CG2-CD2 4.16Å; V602-F605 HydrophobicContact CG2-CE2 4.33Å; V602-F605 PolarHBondContact O-N 3.12Å; V602-A606 PolarHBondContact O-N 3.42Å; V602-F643 HydrophobicContact CG1-CD1 4.35Å; V602-F643 HydrophobicContact CG2-CD1 4.34Å; V602-G665 WeakPolarHBondContact CA-O 3.48Å; V602-G665 WeakPolarHBondContact CG2-O 3.49Å; V602-Y667 HydrophobicContact CG1-CD1 3.93Å; V602-Y667 HydrophobicContact CG1-CE1 4.41Å
603	P	84.2	Confident	85.3	Confident	87 Å²	87	58.5 Å²	58.5	57%	0.565	33%	0.329	S	S	*	.	H	α-helix	trans	-58.6	-28.2	-173.9	-26.6	35.3	0	0	0	114.5	S601 F605 A606	S601-P603 WeakPolarHBondContact O-CD 3.47Å; P603-F605 VanDerWaalsContact C-N 3.29Å; P603-F605 PolarHBondContact O-N 3.06Å; P603-A606 PolarHBondContact O-N 3.27Å
604	I	82.6	Confident	85.1	Confident	17 Å²	17	53.6 Å²	53.6	9%	0.087	31%	0.314	C	S	.	.	H	α-helix	trans	-67.5	-31.1	179.3	-151	174	0	0	0	112.5	V602 A608 M709 T712 L713	V602-I604 HydrophobicContact CG1-CB 4.38Å; V602-I604 HydrophobicContact CG1-CG2 3.67Å; V602-I604 PolarHBondContact O-N 3.44Å; I604-A608 VanDerWaalsContact O-CB 3.29Å; I604-A608 WeakPolarHBondContact O-CB 3.17Å; I604-M709 HydrophobicContact CD1-CG 4.46Å; I604-M709 HydrophobicContact CD1-SD 3.46Å; I604-M709 WeakPolarHBondContact CD1-SD 3.48Å; I604-M709 HydrophobicContact CG1-CE 4.33Å; I604-M709 HydrophobicContact CG1-SD 3.38Å; I604-M709 WeakPolarHBondContact CG1-SD 3.46Å; I604-T712 HydrophobicContact CD1-CG2 4.46Å; I604-T712 HydrophobicContact CG1-CG2 4.44Å; I604-L713 HydrophobicContact CD1-CD1 4.41Å; I604-L713 HydrophobicContact CD1-CD2 3.34Å; I604-L713 HydrophobicContact CD1-CG 3.61Å
605	F	83.6	Confident	85.1	Confident	8 Å²	8	52.7 Å²	52.7	4%	0.035	31%	0.308	C	S	.	.	H	α-helix	trans	-85.9	-30.6	179.3	-62.6	-39.7	0	0	0	111.8	V599 V602 P603 N607 A608 F612 V613 V616 F643	V599-F605 HydrophobicContact CG1-CB 4.12Å; V602-F605 HydrophobicContact CB-CD2 3.7Å; V602-F605 HydrophobicContact CB-CE2 4.23Å; V602-F605 HydrophobicContact CB-CG 4.44Å; V602-F605 HydrophobicContact CG1-CD2 4.04Å; V602-F605 HydrophobicContact CG1-CE2 4.28Å; V602-F605 HydrophobicContact CG2-CD2 4.16Å; V602-F605 HydrophobicContact CG2-CE2 4.33Å; V602-F605 PolarHBondContact O-N 3.12Å; P603-F605 VanDerWaalsContact C-N 3.29Å; P603-F605 PolarHBondContact O-N 3.06Å; F605-N607 PolarHBondContact O-N 3.22Å; F605-A608 PolarHBondContact O-N 2.89Å; F605-F612 AromaticContact CD1-CE1 3.85Å; F605-F612 HydrophobicContact CD1-CE1 3.85Å; F605-F612 AromaticContact CE1-CE1 3.81Å; F605-F612 HydrophobicContact CE1-CE1 3.81Å; F605-F612 HydrophobicContact CE1-CZ 4.3Å; F605-V613 HydrophobicContact CB-CG2 4.15Å; F605-V613 HydrophobicContact CD1-CG2 4.25Å; F605-V616 HydrophobicContact CE1-CB 4.37Å; F605-V616 HydrophobicContact CE1-CG1 4Å; F605-V616 HydrophobicContact CE1-CG2 4.45Å; F605-V616 HydrophobicContact CZ-CG1 3.81Å; F605-F643 HydrophobicContact CE1-CE1 4.45Å; F605-F643 AromaticContact CE2-CD1 3.89Å; F605-F643 HydrophobicContact CE2-CD1 3.89Å; F605-F643 AromaticContact CE2-CE1 3.72Å; F605-F643 HydrophobicContact CE2-CE1 3.72Å; F605-F643 HydrophobicContact CE2-CZ 4.24Å; F605-F643 HydrophobicContact CZ-CD1 4.09Å; F605-F643 AromaticContact CZ-CE1 3.46Å; F605-F643 HydrophobicContact CZ-CE1 3.46Å; F605-F643 VanDerWaalsContact CZ-CE1 3.46Å; F605-F643 HydrophobicContact CZ-CE2 4.33Å; F605-F643 AromaticContact CZ-CZ 3.6Å; F605-F643 HydrophobicContact CZ-CZ 3.6Å
606	A	79	Confident	85.2	Confident	63 Å²	63	52.8 Å²	52.8	52%	0.521	31%	0.308	S	S	.	.	H	α-helix	trans	-61	-32.7	178.7	0	0	0	0	0	113.3	V602 P603	V602-A606 PolarHBondContact O-N 3.42Å; P603-A606 PolarHBondContact O-N 3.27Å
607	N	78.5	Confident	85.3	Confident	152 Å²	152	46.1 Å²	46.1	81%	0.813	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.8	4.1	-178.2	-64.1	-15.1	0	0	0	113.6	F605	F605-N607 PolarHBondContact O-N 3.22Å
608	A	83.1	Confident	85.3	Confident	20 Å²	20	46.6 Å²	46.6	17%	0.165	28%	0.28	C	S	.	.	S	Bend	trans	-90.9	162.9	-175.5	0	0	0	0	0	113	I604 F605 F612 V613 M709	I604-A608 VanDerWaalsContact O-CB 3.29Å; I604-A608 WeakPolarHBondContact O-CB 3.17Å; F605-A608 PolarHBondContact O-N 2.89Å; A608-F612 HydrophobicContact CB-CD1 3.62Å; A608-F612 HydrophobicContact CB-CE1 4.13Å; A608-V613 HydrophobicContact CB-CG2 3.96Å; A608-M709 HydrophobicContact CB-CE 3.45Å; A608-M709 VanDerWaalsContact CB-CE 3.45Å
609	D	85.6	Confident	85.4	Confident	81 Å²	81	48.8 Å²	48.8	43%	0.433	29%	0.289	S	S	.	.			trans	-59.5	137.6	168.5	-178	54.1	0	0	0	111.4	N611 F612 V613	D609-N611 PolarHBondContact O-N 3.24Å; D609-N611 WeakPolarHBondContact OD2-CB 3.39Å; D609-N611 PolarHBondContact OD2-N 2.94Å; D609-N611 PolarHBondContact OD2-ND2 3.1Å; D609-F612 HydrophobicContact CB-CB 4.36Å; D609-F612 WeakPolarHBondContact O-CB 3.3Å; D609-F612 PolarHBondContact O-N 2.91Å; D609-F612 VanDerWaalsContact O-N 3.11Å; D609-V613 WeakPolarHBondContact O-CG2 3.07Å; D609-V613 PolarHBondContact O-N 3.2Å; D609-V613 VanDerWaalsContact O-N 3.08Å
610	Q	85.2	Confident	85.6	Confident	120 Å²	120	48.3 Å²	48.3	56%	0.561	29%	0.286	S	S	*	.	H	α-helix	trans	-64.3	-29	-176	-172.4	63.5	24.6	0	0	112.2	V613 S614	Q610-V613 PolarHBondContact O-N 3.29Å; Q610-S614 WeakPolarHBondContact O-CB 3.48Å; Q610-S614 PolarHBondContact O-N 3.3Å; Q610-S614 PolarHBondContact O-OG 3.43Å
611	N	86.1	Confident	85.9	Confident	102 Å²	102	49.6 Å²	49.6	55%	0.545	28%	0.277	S	S	.	.	H	α-helix	trans	-71.5	-40	176.3	-51.9	-62.1	0	0	0	111	D609 V613 S614 E615 Y706	D609-N611 PolarHBondContact O-N 3.24Å; D609-N611 WeakPolarHBondContact OD2-CB 3.39Å; D609-N611 PolarHBondContact OD2-N 2.94Å; D609-N611 PolarHBondContact OD2-ND2 3.1Å; N611-V613 VanDerWaalsContact C-N 3.34Å; N611-V613 PolarHBondContact O-N 2.67Å; N611-S614 PolarHBondContact O-N 2.99Å; N611-E615 WeakPolarHBondContact O-CB 3.45Å; N611-E615 PolarHBondContact O-N 2.84Å; N611-Y706 VanDerWaalsContact CB-OH 3.27Å; N611-Y706 WeakPolarHBondContact CB-OH 3.36Å
612	F	88.7	Confident	86.2	Confident	10 Å²	10	50.5 Å²	50.5	4%	0.044	28%	0.276	C	S	.	.	H	α-helix	trans	-57.8	-48.3	172	165.8	-96.8	0	0	0	110.9	F605 A608 D609 S614 E615 V616 V702 Y706 M709	F605-F612 AromaticContact CD1-CE1 3.85Å; F605-F612 HydrophobicContact CD1-CE1 3.85Å; F605-F612 AromaticContact CE1-CE1 3.81Å; F605-F612 HydrophobicContact CE1-CE1 3.81Å; F605-F612 HydrophobicContact CE1-CZ 4.3Å; A608-F612 HydrophobicContact CB-CD1 3.62Å; A608-F612 HydrophobicContact CB-CE1 4.13Å; D609-F612 HydrophobicContact CB-CB 4.36Å; D609-F612 WeakPolarHBondContact O-CB 3.3Å; D609-F612 PolarHBondContact O-N 2.91Å; D609-F612 VanDerWaalsContact O-N 3.11Å; F612-S614 VanDerWaalsContact C-N 3.33Å; F612-S614 PolarHBondContact O-N 2.95Å; F612-E615 PolarHBondContact O-N 3.27Å; F612-V616 HydrophobicContact CD1-CG2 4.48Å; F612-V616 HydrophobicContact CD2-CG2 4.14Å; F612-V616 HydrophobicContact CE1-CG2 4.03Å; F612-V616 HydrophobicContact CE2-CG2 3.64Å; F612-V616 HydrophobicContact CZ-CG2 3.55Å; F612-V616 WeakPolarHBondContact O-CG2 3.2Å; F612-V616 PolarHBondContact O-N 2.85Å; F612-V702 HydrophobicContact CD2-CG1 3.52Å; F612-V702 HydrophobicContact CE2-CG1 3.4Å; F612-Y706 HydrophobicContact CB-CD1 3.9Å; F612-Y706 HydrophobicContact CB-CD2 4.04Å; F612-Y706 HydrophobicContact CB-CE1 3.87Å; F612-Y706 HydrophobicContact CB-CE2 4.02Å; F612-Y706 HydrophobicContact CB-CG 3.99Å; F612-Y706 AromaticContact CD2-CD2 3.69Å; F612-Y706 HydrophobicContact CD2-CD2 3.69Å; F612-Y706 HydrophobicContact CD2-CE2 4.35Å; F612-Y706 AromaticContact CD2-CG 3.79Å; F612-Y706 HydrophobicContact CD2-CG 3.79Å; F612-Y706 HydrophobicContact CG-CD2 4.37Å; F612-Y706 HydrophobicContact CG-CG 4.31Å; F612-Y706 PolarHBondContact N-OH 2.84Å; F612-M709 HydrophobicContact CD1-CE 4.1Å; F612-M709 HydrophobicContact CD2-CG 4.4Å; F612-M709 HydrophobicContact CE1-CE 3.9Å; F612-M709 HydrophobicContact CE1-CG 3.91Å; F612-M709 HydrophobicContact CE1-SD 4.26Å; F612-M709 HydrophobicContact CE2-CB 4.15Å; F612-M709 HydrophobicContact CE2-CG 3.68Å; F612-M709 HydrophobicContact CZ-CB 4.35Å; F612-M709 HydrophobicContact CZ-CE 4.38Å; F612-M709 HydrophobicContact CZ-CG 3.42Å; F612-M709 VanDerWaalsContact CZ-CG 3.42Å; F612-M709 HydrophobicContact CZ-SD 4.28Å
613	V	88.2	Confident	86.6	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-58.8	-46.6	179.6	173.4	0	0	0	0	110.6	V599 F605 A608 D609 Q610 N611 E615 V616 I617	V599-V613 HydrophobicContact CG1-CG1 3.89Å; V599-V613 HydrophobicContact CG2-CG1 3.91Å; F605-V613 HydrophobicContact CB-CG2 4.15Å; F605-V613 HydrophobicContact CD1-CG2 4.25Å; A608-V613 HydrophobicContact CB-CG2 3.96Å; D609-V613 WeakPolarHBondContact O-CG2 3.07Å; D609-V613 PolarHBondContact O-N 3.2Å; D609-V613 VanDerWaalsContact O-N 3.08Å; Q610-V613 PolarHBondContact O-N 3.29Å; N611-V613 VanDerWaalsContact C-N 3.34Å; N611-V613 PolarHBondContact O-N 2.67Å; V613-E615 PolarHBondContact O-N 3.38Å; V613-V616 PolarHBondContact O-N 3.29Å; V613-I617 HydrophobicContact CG1-CD1 3.46Å; V613-I617 VanDerWaalsContact CG1-CD1 3.46Å; V613-I617 HydrophobicContact CG1-CG1 4.28Å; V613-I617 WeakPolarHBondContact O-CB 3.49Å; V613-I617 WeakPolarHBondContact O-CD1 3.26Å; V613-I617 WeakPolarHBondContact O-CG1 3.34Å; V613-I617 PolarHBondContact O-N 3.14Å
614	S	85.1	Confident	87.1	Confident	34 Å²	34	49.3 Å²	49.3	24%	0.238	26%	0.263	C	S	.	.	H	α-helix	trans	-63.1	-42.3	178.7	-57.1	0	0	0	0	112	Q610 N611 F612 V616 I617 V618	Q610-S614 WeakPolarHBondContact O-CB 3.48Å; Q610-S614 PolarHBondContact O-N 3.3Å; Q610-S614 PolarHBondContact O-OG 3.43Å; N611-S614 PolarHBondContact O-N 2.99Å; F612-S614 VanDerWaalsContact C-N 3.33Å; F612-S614 PolarHBondContact O-N 2.95Å; S614-V616 PolarHBondContact O-N 3.13Å; S614-I617 PolarHBondContact O-N 3.05Å; S614-V618 WeakPolarHBondContact O-CG2 3.12Å; S614-V618 PolarHBondContact O-N 2.93Å
615	E	87	Confident	87.7	Confident	51 Å²	51	50.1 Å²	50.1	24%	0.238	27%	0.266	C	S	.	.	H	α-helix	trans	-65.6	-38.7	178.6	-160.1	-172.1	155.5	0	0	112.2	N611 F612 V613 K619 V702 N705	N611-E615 WeakPolarHBondContact O-CB 3.45Å; N611-E615 PolarHBondContact O-N 2.84Å; F612-E615 PolarHBondContact O-N 3.27Å; V613-E615 PolarHBondContact O-N 3.38Å; E615-K619 WeakPolarHBondContact O-CG 3.49Å; E615-K619 IonicContact OE1-NZ 3.34Å; E615-K619 PolarHBondContact OE1-NZ 3.41Å; E615-V702 HydrophobicContact CG-CG2 4.12Å; E615-N705 PolarHBondContact OE2-ND2 2.8Å
616	V	89.9	Confident	88.3	Confident	4 Å²	4	50.5 Å²	50.5	2%	0.024	27%	0.268	C	S	.	.	H	α-helix	trans	-66.6	-50	175.5	174.6	0	0	0	0	110.8	F605 F612 V613 S614 V618 K619 L620 L694 V702	F605-V616 HydrophobicContact CE1-CB 4.37Å; F605-V616 HydrophobicContact CE1-CG1 4Å; F605-V616 HydrophobicContact CE1-CG2 4.45Å; F605-V616 HydrophobicContact CZ-CG1 3.81Å; F612-V616 HydrophobicContact CD1-CG2 4.48Å; F612-V616 HydrophobicContact CD2-CG2 4.14Å; F612-V616 HydrophobicContact CE1-CG2 4.03Å; F612-V616 HydrophobicContact CE2-CG2 3.64Å; F612-V616 HydrophobicContact CZ-CG2 3.55Å; F612-V616 WeakPolarHBondContact O-CG2 3.2Å; F612-V616 PolarHBondContact O-N 2.85Å; V613-V616 PolarHBondContact O-N 3.29Å; S614-V616 PolarHBondContact O-N 3.13Å; V616-V618 VanDerWaalsContact C-N 3.33Å; V616-V618 PolarHBondContact O-N 3.46Å; V616-K619 CarbonylContact O-C 3.58Å; V616-K619 WeakPolarHBondContact O-CA 3.5Å; V616-K619 WeakPolarHBondContact O-CB 3.26Å; V616-K619 PolarHBondContact O-N 3.3Å; V616-L620 HydrophobicContact CG1-CD2 4.17Å; V616-L620 HydrophobicContact CG1-CG 4.29Å; V616-L620 WeakPolarHBondContact O-CG 3.46Å; V616-L620 PolarHBondContact O-N 3.49Å; V616-L694 HydrophobicContact CG1-CD2 4.3Å; V616-V702 HydrophobicContact CG2-CG1 3.74Å; V616-V702 HydrophobicContact CG2-CG2 4.39Å
617	I	88.3	Confident	89.1	Confident	3 Å²	3	50.5 Å²	50.5	2%	0.015	26%	0.263	C	S	.	.	H	α-helix	trans	-58	-43.2	-174.1	-76.1	169.8	0	0	0	111.9	I591 C595 V599 V613 S614 K619 L620	I591-I617 HydrophobicContact CB-CG2 4.22Å; I591-I617 HydrophobicContact CG2-CG2 3.3Å; C595-I617 HydrophobicContact CB-CD1 4.16Å; C595-I617 HydrophobicContact CB-CG1 4.13Å; C595-I617 HydrophobicContact CB-CG2 3.89Å; V599-I617 HydrophobicContact CG2-CD1 3.34Å; V599-I617 HydrophobicContact CG2-CG1 4.17Å; V613-I617 HydrophobicContact CG1-CD1 3.46Å; V613-I617 VanDerWaalsContact CG1-CD1 3.46Å; V613-I617 HydrophobicContact CG1-CG1 4.28Å; V613-I617 WeakPolarHBondContact O-CB 3.49Å; V613-I617 WeakPolarHBondContact O-CD1 3.26Å; V613-I617 WeakPolarHBondContact O-CG1 3.34Å; V613-I617 PolarHBondContact O-N 3.14Å; S614-I617 PolarHBondContact O-N 3.05Å; I617-K619 PolarHBondContact O-N 3.28Å; I617-L620 WeakPolarHBondContact O-CB 3.16Å; I617-L620 PolarHBondContact O-N 2.87Å; I617-L620 VanDerWaalsContact O-N 3.15Å
618	V	86.2	Confident	89.8	Confident	71 Å²	71	45.4 Å²	45.4	43%	0.43	25%	0.246	S	C	.	.	H	α-helix	trans	-62.5	-26.3	178	174.7	0	0	0	0	112	E588 S614 V616	E588-V618 HydrophobicContact CG-CG2 4.46Å; S614-V618 WeakPolarHBondContact O-CG2 3.12Å; S614-V618 PolarHBondContact O-N 2.93Å; V616-V618 VanDerWaalsContact C-N 3.33Å; V616-V618 PolarHBondContact O-N 3.46Å
619	K	88.9	Confident	90.4	Very high	45 Å²	45	46 Å²	46	20%	0.196	25%	0.247	C	C	.	.	H	α-helix	trans	-91.9	-6	-180	-65	-177.1	-165.3	174.1	0	113.8	E615 V616 I617 L694 N698 V702	E615-K619 WeakPolarHBondContact O-CG 3.49Å; E615-K619 IonicContact OE1-NZ 3.34Å; E615-K619 PolarHBondContact OE1-NZ 3.41Å; V616-K619 CarbonylContact O-C 3.58Å; V616-K619 WeakPolarHBondContact O-CA 3.5Å; V616-K619 WeakPolarHBondContact O-CB 3.26Å; V616-K619 PolarHBondContact O-N 3.3Å; I617-K619 PolarHBondContact O-N 3.28Å; K619-L694 HydrophobicContact CB-CD1 3.88Å; K619-N698 HydrophobicContact CB-CB 4.1Å; K619-N698 HydrophobicContact CD-CB 3.72Å; K619-N698 HydrophobicContact CG-CB 4.35Å; K619-V702 HydrophobicContact CD-CG2 3.91Å
620	L	91.2	Very high	90.9	Very high	19 Å²	19	46.5 Å²	46.5	10%	0.099	25%	0.249	C	C	.	.			trans	-75.1	145.1	178.7	-66.5	-179.7	0	0	0	112.3	L598 V616 I617 F643 Y692 L694	L598-L620 HydrophobicContact CD2-CD1 3.83Å; V616-L620 HydrophobicContact CG1-CD2 4.17Å; V616-L620 HydrophobicContact CG1-CG 4.29Å; V616-L620 WeakPolarHBondContact O-CG 3.46Å; V616-L620 PolarHBondContact O-N 3.49Å; I617-L620 WeakPolarHBondContact O-CB 3.16Å; I617-L620 PolarHBondContact O-N 2.87Å; I617-L620 VanDerWaalsContact O-N 3.15Å; L620-F643 HydrophobicContact CD2-CD2 3.82Å; L620-F643 HydrophobicContact CD2-CE2 3.84Å; L620-Y692 HydrophobicContact CB-CD1 3.81Å; L620-Y692 HydrophobicContact CB-CG 4.31Å; L620-Y692 HydrophobicContact CD1-CD1 4.41Å; L620-Y692 HydrophobicContact CD1-CG 4.24Å; L620-L694 HydrophobicContact CD2-CB 3.93Å; L620-L694 HydrophobicContact CD2-CD1 4.32Å
621	K	91.3	Very high	91.4	Very high	106 Å²	106	41.6 Å²	41.6	46%	0.461	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	125.8	174.1	-65.6	171.6	-173.9	160.2	0	110.9	Y692 S693 D695	K621-Y692 WeakPolarHBondContact O-CA 3.09Å; K621-S693 PolarHBondContact N-O 2.95Å; K621-S693 PolarHBondContact O-N 3.1Å; K621-S693 PolarHBondContact O-OG 3.35Å; K621-S693 VanDerWaalsContact O-OG 3.13Å; K621-D695 IonicContact NZ-OD2 3.75Å; K621-D695 PolarHBondContact NZ-OD2 3.41Å
622	Q	91.5	Very high	91.8	Very high	68 Å²	68	37.1 Å²	37.1	32%	0.318	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	127.8	178.2	-165	-175.1	34.4	0	0	111.7	T690 L691 Y692	Q622-T690 HydrophobicContact CG-CG2 3.92Å; Q622-T690 VanDerWaalsContact NE2-CG2 3.28Å; Q622-L691 CarbonylContact C-O 3.6Å; Q622-L691 WeakPolarHBondContact CA-O 3.03Å; Q622-Y692 HydrophobicContact CB-CD1 4.14Å; Q622-Y692 HydrophobicContact CB-CE1 3.78Å; Q622-Y692 HydrophobicContact CG-CE1 4.25Å
623	E	93.8	Very high	92	Very high	50 Å²	50	42.9 Å²	42.9	23%	0.234	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	153.4	175.6	-64.2	-171	174.1	0	0	109.9	F625 K640 Y642 L691 S693	E623-F625 HydrophobicContact CB-CE2 3.94Å; E623-F625 HydrophobicContact CB-CZ 4.48Å; E623-K640 IonicContact OE1-NZ 3.88Å; E623-K640 PolarHBondContact OE1-NZ 3.3Å; E623-K640 IonicContact OE2-NZ 2.64Å; E623-K640 PolarHBondContact OE2-NZ 2.7Å; E623-Y642 WeakPolarHBondContact OE2-CE1 3.19Å; E623-L691 PolarHBondContact N-O 2.89Å; E623-L691 PolarHBondContact O-N 3.2Å; E623-L691 VanDerWaalsContact O-O 3.13Å; E623-S693 PolarHBondContact OE1-OG 3.15Å
624	V	95.2	Very high	92.1	Very high	11 Å²	11	43.9 Å²	43.9	7%	0.067	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	136.1	-179.2	171.7	0	0	0	0	108.5	Y563 C689	Y563-V624 HydrophobicContact CE2-CB 4.32Å; Y563-V624 WeakPolarHBondContact CE2-O 3.48Å; V624-C689 CarbonylContact C-O 3.59Å; V624-C689 WeakPolarHBondContact CA-O 3.19Å
625	F	96.4	Very high	92.3	Very high	35 Å²	35	43.6 Å²	43.6	15%	0.154	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	145.8	177	-65.1	-86.8	0	0	0	110.5	E623 D629 I631 Y642 A685 Y688 C689 L691	E623-F625 HydrophobicContact CB-CE2 3.94Å; E623-F625 HydrophobicContact CB-CZ 4.48Å; F625-D629 HydrophobicContact CB-CB 4.38Å; F625-D629 HydrophobicContact CD1-CB 4.4Å; F625-I631 HydrophobicContact CB-CG1 4.22Å; F625-I631 HydrophobicContact CD1-CG1 3.85Å; F625-I631 HydrophobicContact CD2-CD1 4.47Å; F625-I631 HydrophobicContact CD2-CG1 4.13Å; F625-I631 HydrophobicContact CE1-CG1 4.23Å; F625-I631 HydrophobicContact CE1-CG2 4.27Å; F625-I631 HydrophobicContact CE2-CG1 4.5Å; F625-I631 HydrophobicContact CE2-CG2 4.16Å; F625-I631 HydrophobicContact CG-CD1 4.38Å; F625-I631 HydrophobicContact CG-CG1 3.79Å; F625-I631 HydrophobicContact CZ-CG2 3.99Å; F625-Y642 HydrophobicContact CE2-CE1 4.28Å; F625-Y642 HydrophobicContact CZ-CE1 4.3Å; F625-A685 HydrophobicContact CB-CB 4.33Å; F625-Y688 WeakPolarHBondContact O-CA 3.43Å; F625-C689 HydrophobicContact CB-CB 4.42Å; F625-C689 PolarHBondContact N-O 3.06Å; F625-C689 PolarHBondContact O-N 2.93Å; F625-L691 HydrophobicContact CD2-CD1 3.58Å; F625-L691 HydrophobicContact CD2-CG 4.05Å; F625-L691 HydrophobicContact CE2-CB 4.48Å; F625-L691 HydrophobicContact CE2-CD1 3.71Å; F625-L691 HydrophobicContact CE2-CG 4.35Å
626	Q	96	Very high	92.6	Very high	16 Å²	16	43.7 Å²	43.7	8%	0.075	24%	0.238	C	C	.	.			trans	-89.2	157	177.7	-56.6	-168.2	-55.1	0	0	110.7	R559 G628 D629 A685 Y688	R559-Q626 PolarHBondContact O-NE2 3.48Å; R559-Q626 PolarHBondContact O-OE1 3.1Å; Q626-G628 PolarHBondContact O-N 3.1Å; Q626-D629 WeakPolarHBondContact CB-OD2 3.19Å; Q626-D629 PolarHBondContact N-OD2 2.75Å; Q626-D629 VanDerWaalsContact O-CB 3.25Å; Q626-D629 WeakPolarHBondContact O-CB 3.21Å; Q626-D629 PolarHBondContact O-N 2.76Å; Q626-A685 WeakPolarHBondContact O-CB 3.42Å; Q626-Y688 HydrophobicContact CB-CE1 4.16Å; Q626-Y688 HydrophobicContact CG-CD1 4.44Å; Q626-Y688 HydrophobicContact CG-CE1 3.85Å
627	P	95.8	Very high	92.6	Very high	63 Å²	63	51.2 Å²	51.2	41%	0.409	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	133.8	172.7	24.7	-35.9	0	0	0	111.4	E686 Y688	P627-E686 VanDerWaalsContact CB-O 3.3Å; P627-E686 WeakPolarHBondContact CB-O 3.5Å; P627-Y688 HydrophobicContact CG-CD2 4.34Å; P627-Y688 HydrophobicContact CG-CE2 4.13Å
628	G	93.3	Very high	92.6	Very high	45 Å²	45	51.5 Å²	51.5	46%	0.464	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.3	0.1	-174.6	0	0	0	0	0	115	Q626 A685	Q626-G628 PolarHBondContact O-N 3.1Å; G628-A685 PolarHBondContact N-O 3.14Å
629	D	95.4	Very high	92.8	Very high	33 Å²	33	52.2 Å²	52.2	18%	0.176	28%	0.275	C	S	.	.			trans	-76.1	128.3	175.5	-75	-20.2	0	0	0	111.3	R559 F625 Q626 I631 E684 A685	R559-D629 IonicContact CZ-OD1 3.83Å; R559-D629 IonicContact NH2-OD1 2.85Å; R559-D629 PolarHBondContact NH2-OD1 3.28Å; F625-D629 HydrophobicContact CB-CB 4.38Å; F625-D629 HydrophobicContact CD1-CB 4.4Å; Q626-D629 WeakPolarHBondContact CB-OD2 3.19Å; Q626-D629 PolarHBondContact N-OD2 2.75Å; Q626-D629 VanDerWaalsContact O-CB 3.25Å; Q626-D629 WeakPolarHBondContact O-CB 3.21Å; Q626-D629 PolarHBondContact O-N 2.76Å; D629-I631 PolarHBondContact O-N 3.09Å; D629-E684 WeakPolarHBondContact O-CA 3.4Å; D629-A685 PolarHBondContact O-N 2.78Å
630	L	95	Very high	93.1	Very high	91 Å²	91	51.9 Å²	51.9	48%	0.476	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	97.8	172.7	-173.1	71	0	0	0	110.2	I632 K633 V683	L630-I632 VanDerWaalsContact CD1-O 3.31Å; L630-I632 WeakPolarHBondContact CD1-O 3.34Å; L630-K633 HydrophobicContact CD2-CB 3.72Å; L630-K633 HydrophobicContact CD2-CD 4.24Å; L630-K633 HydrophobicContact CD2-CG 3.93Å; L630-K633 HydrophobicContact CG-CB 4.46Å; L630-V683 CarbonylContact C-O 3.55Å
631	I	95.7	Very high	93.2	Very high	16 Å²	16	51 Å²	51	8%	0.082	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	-42.8	-178.4	-57.3	158.3	0	0	0	111.1	F625 D629 Y642 V649 F668 V683 A685 L691	F625-I631 HydrophobicContact CB-CG1 4.22Å; F625-I631 HydrophobicContact CD1-CG1 3.85Å; F625-I631 HydrophobicContact CD2-CD1 4.47Å; F625-I631 HydrophobicContact CD2-CG1 4.13Å; F625-I631 HydrophobicContact CE1-CG1 4.23Å; F625-I631 HydrophobicContact CE1-CG2 4.27Å; F625-I631 HydrophobicContact CE2-CG1 4.5Å; F625-I631 HydrophobicContact CE2-CG2 4.16Å; F625-I631 HydrophobicContact CG-CD1 4.38Å; F625-I631 HydrophobicContact CG-CG1 3.79Å; F625-I631 HydrophobicContact CZ-CG2 3.99Å; D629-I631 PolarHBondContact O-N 3.09Å; I631-Y642 HydrophobicContact CG2-CD2 4.14Å; I631-Y642 HydrophobicContact CG2-CE1 4.41Å; I631-Y642 HydrophobicContact CG2-CE2 3.77Å; I631-V649 HydrophobicContact CD1-CB 4.49Å; I631-V649 HydrophobicContact CD1-CG1 3.64Å; I631-F668 HydrophobicContact CD1-CZ 4.2Å; I631-F668 HydrophobicContact CG2-CE2 3.97Å; I631-F668 HydrophobicContact CG2-CZ 4.06Å; I631-V683 HydrophobicContact CD1-CG1 4.31Å; I631-V683 PolarHBondContact N-O 3.25Å; I631-A685 HydrophobicContact CD1-CB 4.03Å; I631-A685 HydrophobicContact CG1-CB 4.49Å; I631-L691 HydrophobicContact CD1-CD1 3.87Å; I631-L691 HydrophobicContact CG2-CD1 4.22Å
632	I	95.4	Very high	93.4	Very high	9 Å²	9	46.5 Å²	46.5	5%	0.046	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	131.4	176.2	-65.2	-177.9	0	0	0	108.6	L630 Y642 F668 R679 S682 V683	L630-I632 VanDerWaalsContact CD1-O 3.31Å; L630-I632 WeakPolarHBondContact CD1-O 3.34Å; I632-Y642 HydrophobicContact CD1-CD2 4.18Å; I632-Y642 HydrophobicContact CD1-CE2 4.16Å; I632-Y642 HydrophobicContact CG1-CD2 4.46Å; I632-Y642 HydrophobicContact CG1-CE2 4.04Å; I632-F668 HydrophobicContact CD1-CD2 3.6Å; I632-F668 HydrophobicContact CD1-CE2 3.74Å; I632-F668 HydrophobicContact CG1-CD2 4.48Å; I632-F668 HydrophobicContact CG1-CE2 4.18Å; I632-R679 HydrophobicContact CG2-CB 3.9Å; I632-R679 HydrophobicContact CG2-CG 3.63Å; I632-S682 CarbonylContact O-C 3.56Å; I632-S682 WeakPolarHBondContact O-CA 3.38Å; I632-V683 HydrophobicContact CB-CB 4.02Å; I632-V683 HydrophobicContact CB-CG2 4.05Å; I632-V683 HydrophobicContact CD1-CG2 4.26Å; I632-V683 HydrophobicContact CG1-CB 4.46Å; I632-V683 HydrophobicContact CG1-CG2 4.47Å; I632-V683 PolarHBondContact N-O 3.28Å; I632-V683 PolarHBondContact O-N 3.39Å
633	K	93.1	Very high	93.5	Very high	130 Å²	130	43.7 Å²	43.7	57%	0.565	24%	0.236	S	C	*	.			trans	-101.6	129.3	171.4	-174.5	172.6	-177.5	175.2	0	110.5	L630 T636	L630-K633 HydrophobicContact CD2-CB 3.72Å; L630-K633 HydrophobicContact CD2-CD 4.24Å; L630-K633 HydrophobicContact CD2-CG 3.93Å; L630-K633 HydrophobicContact CG-CB 4.46Å; K633-T636 HydrophobicContact CB-CG2 3.85Å; K633-T636 HydrophobicContact CD-CG2 4.25Å; K633-T636 HydrophobicContact CG-CG2 4.07Å; K633-T636 PolarHBondContact O-N 3.39Å; K633-T636 PolarHBondContact O-OG1 3.02Å
634	E	90.9	Very high	93.5	Very high	22 Å²	22	41.3 Å²	41.3	10%	0.103	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	143.6	176.1	-159.6	-170.7	140.1	0	0	112.6	T636 K654 R679 V680 S682 R726	E634-T636 PolarHBondContact O-N 2.74Å; E634-K654 WeakPolarHBondContact OE1-CD 3.41Å; E634-K654 WeakPolarHBondContact OE1-CE 3.19Å; E634-K654 WeakPolarHBondContact OE1-CG 3.44Å; E634-K654 WeakPolarHBondContact OE2-CG 3.4Å; E634-K654 PolarHBondContact OE2-N 2.84Å; E634-R679 WeakPolarHBondContact CG-O 3.11Å; E634-V680 VanDerWaalsContact CD-O 3.28Å; E634-V680 WeakPolarHBondContact CG-O 3.41Å; E634-S682 WeakPolarHBondContact CB-OG 3.39Å; E634-S682 PolarHBondContact N-OG 3.15Å; E634-R726 IonicContact OE1-CZ 3.35Å; E634-R726 IonicContact OE1-NH1 2.63Å; E634-R726 PolarHBondContact OE1-NH1 3.46Å; E634-R726 IonicContact OE1-NH2 3.18Å; E634-R726 PolarHBondContact OE1-NH2 3.01Å; E634-R726 IonicContact OE2-NH2 2.7Å; E634-R726 PolarHBondContact OE2-NH2 3.31Å
635	G	89	Confident	93.4	Very high	28 Å²	28	43 Å²	43	29%	0.289	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.7	-1.5	175	0	0	0	0	0	114.4	R678 R679	G635-R678 VanDerWaalsContact O-CD 3.32Å; G635-R678 WeakPolarHBondContact O-CD 3.46Å; G635-R678 PolarHBondContact O-NH1 3.47Å; G635-R679 PolarHBondContact N-O 3.45Å
636	T	92	Very high	93.2	Very high	53 Å²	53	46.7 Å²	46.7	33%	0.325	25%	0.25	S	S	.	.	S	Bend	trans	-85.7	164.5	172.8	65	0	0	0	0	111.6	K633 E634 R678 R679	K633-T636 HydrophobicContact CB-CG2 3.85Å; K633-T636 HydrophobicContact CD-CG2 4.25Å; K633-T636 HydrophobicContact CG-CG2 4.07Å; K633-T636 PolarHBondContact O-N 3.39Å; K633-T636 PolarHBondContact O-OG1 3.02Å; E634-T636 PolarHBondContact O-N 2.74Å; T636-R678 CarbonylContact O-C 3.6Å; T636-R678 WeakPolarHBondContact O-CA 3.37Å; T636-R679 WeakPolarHBondContact O-CG 3.34Å; T636-R679 PolarHBondContact O-N 2.69Å
637	Y	91.1	Very high	93.1	Very high	162 Å²	162	46.4 Å²	46.4	64%	0.635	25%	0.251	S	S	*	.	P	Polyproline II helix	trans	-80.2	131.6	170	-68.8	-82.2	0	0	0	109.7	R678	Y637-R678 HydrophobicContact CD1-CG 4.36Å; Y637-R678 HydrophobicContact CE1-CG 4.15Å; Y637-R678 PolarHBondContact OH-NE 2.87Å; Y637-R678 PolarHBondContact OH-NH2 3.26Å
638	G	87.7	Confident	93.1	Very high	8 Å²	8	45.3 Å²	45.3	8%	0.082	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-97.6	130.3	177.8	0	0	0	0	0	112.3	C672 R679	G638-C672 WeakPolarHBondContact CA-SG 3.3Å; G638-C672 PolarHBondContact N-SG 3.19Å; G638-R679 VanDerWaalsContact CA-CZ 3.42Å; G638-R679 VanDerWaalsContact CA-NE 3.29Å
639	T	90.8	Very high	93.3	Very high	86 Å²	86	43.2 Å²	43.2	53%	0.528	22%	0.221	S	C	.	.			trans	-111.2	-3.9	-179.9	59.7	0	0	0	0	113.8	Q696	T639-Q696 VanDerWaalsContact O-CB 3.28Å; T639-Q696 WeakPolarHBondContact O-CB 3.26Å; T639-Q696 PolarHBondContact O-N 2.95Å
640	K	93.9	Very high	93.3	Very high	38 Å²	38	42.5 Å²	42.5	17%	0.165	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	157.4	-177.3	48.3	172.1	161.2	164.2	0	111.9	E623 Y642 R679 L694	E623-K640 IonicContact OE1-NZ 3.88Å; E623-K640 PolarHBondContact OE1-NZ 3.3Å; E623-K640 IonicContact OE2-NZ 2.64Å; E623-K640 PolarHBondContact OE2-NZ 2.7Å; K640-Y642 HydrophobicContact CD-CE1 3.8Å; K640-Y642 HydrophobicContact CD-CE2 4.47Å; K640-Y642 WeakPolarHBondContact CD-OH 3.46Å; K640-Y642 WeakPolarHBondContact CE-OH 3.45Å; K640-Y642 HydrophobicContact CG-CE1 4.48Å; K640-Y642 HydrophobicContact CG-CE2 4.33Å; K640-Y642 PolarHBondContact NZ-OH 3.05Å; K640-Y642 VanDerWaalsContact NZ-OH 3.13Å; K640-R679 PolarHBondContact O-NH1 2.87Å; K640-R679 PolarHBondContact O-NH2 3.25Å; K640-L694 CarbonylContact C-O 3.44Å; K640-L694 WeakPolarHBondContact CA-O 3.24Å; K640-L694 VanDerWaalsContact CB-O 3.24Å; K640-L694 WeakPolarHBondContact CB-O 3.32Å
641	M	93.7	Very high	93.3	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	166.9	165.6	64.8	175.7	-67.8	0	0	110.2	F643 Y667 E670 L673 S693 L694 F699	M641-F643 HydrophobicContact CE-CD1 4.49Å; M641-F643 HydrophobicContact CE-CD2 4.44Å; M641-F643 HydrophobicContact CE-CE1 3.74Å; M641-F643 HydrophobicContact CE-CE2 3.69Å; M641-F643 HydrophobicContact CE-CZ 3.28Å; M641-F643 HydrophobicContact CG-CE2 4.35Å; M641-F643 HydrophobicContact SD-CE2 4.15Å; M641-F643 HydrophobicContact SD-CZ 4.03Å; M641-Y667 HydrophobicContact CE-CD2 3.93Å; M641-Y667 HydrophobicContact CE-CG 4.4Å; M641-E670 HydrophobicContact CE-CB 4.41Å; M641-L673 HydrophobicContact CB-CD1 3.74Å; M641-L673 HydrophobicContact CG-CD1 3.92Å; M641-L673 HydrophobicContact SD-CD1 4.38Å; M641-S693 WeakPolarHBondContact O-CA 3.24Å; M641-L694 HydrophobicContact CG-CB 3.85Å; M641-L694 HydrophobicContact CG-CD2 4.39Å; M641-L694 PolarHBondContact N-O 3.45Å; M641-L694 PolarHBondContact O-N 3.27Å; M641-L694 HydrophobicContact SD-CD2 4.14Å; M641-F699 HydrophobicContact SD-CD2 3.58Å; M641-F699 VanDerWaalsContact SD-CD2 3.58Å; M641-F699 HydrophobicContact SD-CE2 3.48Å; M641-F699 WeakPolarHBondContact SD-CE2 3.39Å; M641-F699 HydrophobicContact SD-CZ 4.45Å
642	Y	95.4	Very high	93.1	Very high	12 Å²	12	40.4 Å²	40.4	5%	0.047	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	138.5	-177.7	-59.2	-84.2	0	0	0	111.7	E623 F625 I631 I632 K640 Y667 F668 L691 Y692	E623-Y642 WeakPolarHBondContact OE2-CE1 3.19Å; F625-Y642 HydrophobicContact CE2-CE1 4.28Å; F625-Y642 HydrophobicContact CZ-CE1 4.3Å; I631-Y642 HydrophobicContact CG2-CD2 4.14Å; I631-Y642 HydrophobicContact CG2-CE1 4.41Å; I631-Y642 HydrophobicContact CG2-CE2 3.77Å; I632-Y642 HydrophobicContact CD1-CD2 4.18Å; I632-Y642 HydrophobicContact CD1-CE2 4.16Å; I632-Y642 HydrophobicContact CG1-CD2 4.46Å; I632-Y642 HydrophobicContact CG1-CE2 4.04Å; K640-Y642 HydrophobicContact CD-CE1 3.8Å; K640-Y642 HydrophobicContact CD-CE2 4.47Å; K640-Y642 WeakPolarHBondContact CD-OH 3.46Å; K640-Y642 WeakPolarHBondContact CE-OH 3.45Å; K640-Y642 HydrophobicContact CG-CE1 4.48Å; K640-Y642 HydrophobicContact CG-CE2 4.33Å; K640-Y642 PolarHBondContact NZ-OH 3.05Å; K640-Y642 VanDerWaalsContact NZ-OH 3.13Å; Y642-Y667 CarbonylContact O-C 3.59Å; Y642-Y667 VanDerWaalsContact O-CA 3.26Å; Y642-Y667 WeakPolarHBondContact O-CA 3.25Å; Y642-Y667 WeakPolarHBondContact O-CB 3.18Å; Y642-F668 HydrophobicContact CD2-CD2 4.1Å; Y642-F668 AromaticContact CD2-CE2 3.46Å; Y642-F668 HydrophobicContact CD2-CE2 3.46Å; Y642-F668 VanDerWaalsContact CD2-CE2 3.46Å; Y642-F668 HydrophobicContact CD2-CZ 4Å; Y642-F668 HydrophobicContact CE2-CE2 4.29Å; Y642-F668 AromaticContact CG-CE2 3.94Å; Y642-F668 HydrophobicContact CG-CE2 3.94Å; Y642-F668 HydrophobicContact CG-CZ 4.01Å; Y642-F668 PolarHBondContact N-O 3.49Å; Y642-F668 PolarHBondContact O-N 3.26Å; Y642-L691 HydrophobicContact CD1-CB 4.3Å; Y642-L691 HydrophobicContact CD1-CD1 4.19Å; Y642-L691 HydrophobicContact CG-CD1 4.35Å; Y642-Y692 CarbonylContact C-O 3.48Å; Y642-Y692 WeakPolarHBondContact CA-O 3.48Å
643	F	94.1	Very high	92.6	Very high	8 Å²	8	41.1 Å²	41.1	4%	0.035	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	135.5	168.3	-58.6	-91.5	0	0	0	109.2	L598 V602 F605 L620 M641 Y667 L691 Y692 L694	L598-F643 HydrophobicContact CD1-CB 3.99Å; L598-F643 HydrophobicContact CD2-CB 4.1Å; V602-F643 HydrophobicContact CG1-CD1 4.35Å; V602-F643 HydrophobicContact CG2-CD1 4.34Å; F605-F643 HydrophobicContact CE1-CE1 4.45Å; F605-F643 AromaticContact CE2-CD1 3.89Å; F605-F643 HydrophobicContact CE2-CD1 3.89Å; F605-F643 AromaticContact CE2-CE1 3.72Å; F605-F643 HydrophobicContact CE2-CE1 3.72Å; F605-F643 HydrophobicContact CE2-CZ 4.24Å; F605-F643 HydrophobicContact CZ-CD1 4.09Å; F605-F643 AromaticContact CZ-CE1 3.46Å; F605-F643 HydrophobicContact CZ-CE1 3.46Å; F605-F643 VanDerWaalsContact CZ-CE1 3.46Å; F605-F643 HydrophobicContact CZ-CE2 4.33Å; F605-F643 AromaticContact CZ-CZ 3.6Å; F605-F643 HydrophobicContact CZ-CZ 3.6Å; L620-F643 HydrophobicContact CD2-CD2 3.82Å; L620-F643 HydrophobicContact CD2-CE2 3.84Å; M641-F643 HydrophobicContact CE-CD1 4.49Å; M641-F643 HydrophobicContact CE-CD2 4.44Å; M641-F643 HydrophobicContact CE-CE1 3.74Å; M641-F643 HydrophobicContact CE-CE2 3.69Å; M641-F643 HydrophobicContact CE-CZ 3.28Å; M641-F643 HydrophobicContact CG-CE2 4.35Å; M641-F643 HydrophobicContact SD-CE2 4.15Å; M641-F643 HydrophobicContact SD-CZ 4.03Å; F643-Y667 HydrophobicContact CD1-CG 4.29Å; F643-Y667 HydrophobicContact CE1-CG 4.26Å; F643-L691 CarbonylContact O-C 3.43Å; F643-L691 VanDerWaalsContact O-CA 3.32Å; F643-L691 WeakPolarHBondContact O-CA 3.14Å; F643-Y692 PolarHBondContact N-O 3.22Å; F643-Y692 PolarHBondContact O-N 3.18Å; F643-L694 HydrophobicContact CE2-CB 4.21Å; F643-L694 HydrophobicContact CE2-CD2 4.27Å
644	I	94.4	Very high	91.9	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	112.7	-178.3	-54.6	174.1	0	0	0	108.8	G647 V649 L662 G665 C666 F668 L691	I644-G647 WeakPolarHBondContact CG2-O 3.33Å; I644-V649 HydrophobicContact CD1-CG2 3.62Å; I644-L662 HydrophobicContact CD1-CB 3.7Å; I644-G665 PolarHBondContact O-N 2.72Å; I644-C666 WeakPolarHBondContact CB-O 3.5Å; I644-C666 HydrophobicContact CD1-CB 4.17Å; I644-C666 WeakPolarHBondContact CG1-O 3.48Å; I644-C666 PolarHBondContact N-O 3.27Å; I644-F668 HydrophobicContact CD1-CD1 3.98Å; I644-F668 HydrophobicContact CD1-CE1 3.91Å; I644-F668 HydrophobicContact CG1-CD1 4.04Å; I644-F668 HydrophobicContact CG1-CE1 3.72Å; I644-L691 HydrophobicContact CB-CD2 4.05Å; I644-L691 HydrophobicContact CG1-CD2 3.76Å; I644-L691 HydrophobicContact CG2-CD2 4.06Å
645	Q	91.8	Very high	91.3	Very high	48 Å²	48	47.9 Å²	47.9	22%	0.224	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	-48	171.9	-177.7	-179.4	19.1	0	0	110.9	L598 T690 Y692	L598-Q645 HydrophobicContact CD1-CB 4.25Å; Q645-T690 HydrophobicContact CB-CG2 4.48Å; Q645-T690 WeakPolarHBondContact CB-O 3.47Å; Q645-T690 PolarHBondContact N-O 3Å; Q645-Y692 HydrophobicContact CB-CD2 4.12Å; Q645-Y692 HydrophobicContact CB-CE2 4.08Å; Q645-Y692 HydrophobicContact CG-CE2 4.22Å
646	E	92.6	Very high	90.7	Very high	112 Å²	112	49.3 Å²	49.3	52%	0.523	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	130.6	-177.4	-174	-178.8	178.2	0	0	109.2	D664 C689 T690	E646-D664 VanDerWaalsContact CA-OD1 3.27Å; E646-D664 WeakPolarHBondContact CA-OD1 3.44Å; E646-C689 CarbonylContact O-C 3.55Å; E646-C689 WeakPolarHBondContact O-CA 3.28Å; E646-T690 PolarHBondContact N-O 3.08Å; E646-T690 PolarHBondContact O-N 3.43Å
647	G	93.9	Very high	90.2	Very high	9 Å²	9	51.8 Å²	51.8	9%	0.093	27%	0.272	C	S	.	.	S	Bend	trans	117.5	175.3	173.4	0	0	0	0	0	114.3	I644 D664 T687	I644-G647 WeakPolarHBondContact CG2-O 3.33Å; G647-D664 PolarHBondContact N-OD1 3.5Å; G647-T687 WeakPolarHBondContact CA-OG1 3.42Å
648	V	96.4	Very high	90	Very high	41 Å²	41	47.8 Å²	47.8	25%	0.248	26%	0.26	C	S	.	.			trans	-119.2	133.5	-176.5	-177.4	0	0	0	0	110.5	R661 L662 E686 T687 C689	V648-R661 HydrophobicContact CG1-CB 4.44Å; V648-L662 WeakPolarHBondContact CA-O 3.36Å; V648-E686 HydrophobicContact CB-CB 4.32Å; V648-E686 HydrophobicContact CG1-CB 4.33Å; V648-E686 WeakPolarHBondContact O-CB 3.44Å; V648-E686 PolarHBondContact O-N 3.38Å; V648-T687 HydrophobicContact CB-CG2 4.47Å; V648-T687 PolarHBondContact N-OG1 2.86Å; V648-T687 PolarHBondContact O-N 3.03Å; V648-C689 PolarHBondContact O-SG 3.23Å; V648-C689 VanDerWaalsContact O-SG 3.33Å
649	V	97.1	Very high	89.8	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	143.9	175	-55.6	0	0	0	0	111.4	I631 I644 R661 L662 F668 V683 E684 C689	I631-V649 HydrophobicContact CD1-CB 4.49Å; I631-V649 HydrophobicContact CD1-CG1 3.64Å; I644-V649 HydrophobicContact CD1-CG2 3.62Å; V649-R661 WeakPolarHBondContact O-CA 3.31Å; V649-L662 HydrophobicContact CG2-CB 3.75Å; V649-L662 HydrophobicContact CG2-CD1 4.42Å; V649-L662 HydrophobicContact CG2-CG 4.46Å; V649-L662 PolarHBondContact N-O 3.03Å; V649-L662 PolarHBondContact O-N 3.13Å; V649-F668 HydrophobicContact CG1-CE1 4.37Å; V649-F668 HydrophobicContact CG2-CD1 4.16Å; V649-F668 HydrophobicContact CG2-CE1 3.91Å; V649-V683 HydrophobicContact CB-CG1 3.79Å; V649-V683 HydrophobicContact CG1-CG1 4.44Å; V649-V683 HydrophobicContact CG2-CG1 3.85Å; V649-E684 CarbonylContact C-O 3.55Å; V649-E684 VanDerWaalsContact CA-O 3.32Å; V649-E684 WeakPolarHBondContact CA-O 3.46Å; V649-C689 HydrophobicContact CG1-CB 4.5Å
650	N	95.8	Very high	89.8	Confident	19 Å²	19	48.7 Å²	48.7	10%	0.102	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	126.3	179.2	-76	-37.5	0	0	0	110.2	I652 L658 R661 V683 E684 E686	N650-I652 HydrophobicContact CB-CG1 4.47Å; N650-L658 HydrophobicContact CB-CD1 3.5Å; N650-L658 VanDerWaalsContact CB-CD1 3.5Å; N650-L658 WeakPolarHBondContact OD1-CD1 3.43Å; N650-R661 WeakPolarHBondContact OD1-CD 3.23Å; N650-R661 VanDerWaalsContact OD1-CG 3.25Å; N650-R661 WeakPolarHBondContact OD1-CG 2.96Å; N650-R661 PolarHBondContact OD1-NE 3Å; N650-V683 WeakPolarHBondContact O-CA 3.25Å; N650-E684 PolarHBondContact N-O 3.4Å; N650-E684 PolarHBondContact O-N 2.96Å; N650-E686 PolarHBondContact ND2-OE2 3.08Å; N650-E686 PolarHBondContact OD1-OE2 2.84Å
651	I	93.9	Very high	89.7	Confident	28 Å²	28	53.6 Å²	53.6	14%	0.144	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	119.9	172.9	-56.5	178.5	0	0	0	108.6	A659 T660 L662 A681 S682	I651-A659 HydrophobicContact CG2-CB 4.33Å; I651-A659 PolarHBondContact O-N 2.95Å; I651-T660 WeakPolarHBondContact CB-O 3.43Å; I651-T660 PolarHBondContact N-O 3.28Å; I651-L662 HydrophobicContact CD1-CD1 3.78Å; I651-L662 HydrophobicContact CD1-CD2 4.39Å; I651-L662 HydrophobicContact CD1-CG 3.88Å; I651-L662 HydrophobicContact CG1-CD1 4.37Å; I651-L662 HydrophobicContact CG1-CG 4.36Å; I651-A681 HydrophobicContact CG2-CB 3.64Å; I651-S682 WeakPolarHBondContact CA-O 3.42Å
652	I	91.8	Very high	89.7	Confident	35 Å²	35	54.4 Å²	54.4	18%	0.179	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	129	-173.6	-54.2	169.3	0	0	0	109.2	N650 S682 E684	N650-I652 HydrophobicContact CB-CG1 4.47Å; I652-S682 PolarHBondContact N-O 2.84Å; I652-S682 WeakPolarHBondContact O-CB 3.43Å; I652-S682 PolarHBondContact O-N 2.83Å; I652-E684 HydrophobicContact CD1-CB 3.91Å; I652-E684 WeakPolarHBondContact CD1-OE2 3.34Å
653	T	85.1	Confident	89.7	Confident	24 Å²	24	56.9 Å²	56.9	15%	0.147	31%	0.31	C	S	.	.			trans	-84.7	169.3	175	61.4	0	0	0	0	111.5	D655 G656 I657 A659 L724	T653-D655 PolarHBondContact O-N 3.28Å; T653-G656 PolarHBondContact O-N 3.33Å; T653-I657 PolarHBondContact N-O 3.47Å; T653-I657 VanDerWaalsContact N-O 3.09Å; T653-I657 PolarHBondContact OG1-O 2.89Å; T653-A659 HydrophobicContact CG2-CB 4.13Å; T653-L724 HydrophobicContact CG2-CD2 4.24Å
654	K	78.3	Confident	89.5	Confident	160 Å²	160	60.5 Å²	60.5	70%	0.696	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.9	-33.3	175.2	-64.5	-163.4	-177.5	-178.4	0	114.3	E634 G656	E634-K654 WeakPolarHBondContact OE1-CD 3.41Å; E634-K654 WeakPolarHBondContact OE1-CE 3.19Å; E634-K654 WeakPolarHBondContact OE1-CG 3.44Å; E634-K654 WeakPolarHBondContact OE2-CG 3.4Å; E634-K654 PolarHBondContact OE2-N 2.84Å; K654-G656 PolarHBondContact O-N 3.43Å
655	D	77.5	Confident	89.2	Confident	134 Å²	134	60.7 Å²	60.7	72%	0.717	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	2.2	-176.9	-53.1	-42.1	0	0	0	112.4	T653 I657	T653-D655 PolarHBondContact O-N 3.28Å; D655-I657 HydrophobicContact CB-CD1 3.88Å; D655-I657 HydrophobicContact CB-CG1 3.97Å; D655-I657 PolarHBondContact O-N 2.98Å
656	G	76.9	Confident	89.3	Confident	57 Å²	57	60.2 Å²	60.2	59%	0.588	33%	0.333	S	S	*	.	S	Bend	trans	74.4	7.6	-175.4	0	0	0	0	0	113.2	T653 K654	T653-G656 PolarHBondContact O-N 3.33Å; K654-G656 PolarHBondContact O-N 3.43Å
657	I	82.3	Confident	89.3	Confident	106 Å²	106	55.6 Å²	55.6	54%	0.544	31%	0.311	S	S	.	.			trans	-80.7	127.4	-178.6	-57.9	172	0	0	0	108.5	T653 D655 A659	T653-I657 PolarHBondContact N-O 3.47Å; T653-I657 VanDerWaalsContact N-O 3.09Å; T653-I657 PolarHBondContact OG1-O 2.89Å; D655-I657 HydrophobicContact CB-CD1 3.88Å; D655-I657 HydrophobicContact CB-CG1 3.97Å; D655-I657 PolarHBondContact O-N 2.98Å; I657-A659 PolarHBondContact O-N 3.45Å; I657-A659 VanDerWaalsContact O-N 3.13Å
658	L	87.1	Confident	89.3	Confident	77 Å²	77	55.5 Å²	55.5	40%	0.403	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	106.1	169.7	-179.5	70.8	0	0	0	108.5	N650 R661	N650-L658 HydrophobicContact CB-CD1 3.5Å; N650-L658 VanDerWaalsContact CB-CD1 3.5Å; N650-L658 WeakPolarHBondContact OD1-CD1 3.43Å; L658-R661 HydrophobicContact CD2-CG 4.23Å
659	A	83.3	Confident	89.1	Confident	40 Å²	40	54.2 Å²	54.2	33%	0.331	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	-49.4	179.3	0	0	0	0	0	111.2	I651 T653 I657 L724	I651-A659 HydrophobicContact CG2-CB 4.33Å; I651-A659 PolarHBondContact O-N 2.95Å; T653-A659 HydrophobicContact CG2-CB 4.13Å; I657-A659 PolarHBondContact O-N 3.45Å; I657-A659 VanDerWaalsContact O-N 3.13Å; A659-L724 HydrophobicContact CB-CD2 3.84Å
660	T	90	Very high	88.8	Confident	73 Å²	73	54.3 Å²	54.3	45%	0.448	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	153.5	-175	-55.7	0	0	0	0	110.4	I651 L662	I651-T660 WeakPolarHBondContact CB-O 3.43Å; I651-T660 PolarHBondContact N-O 3.28Å; T660-L662 HydrophobicContact CG2-CD2 4.43Å
661	R	93.4	Very high	88.5	Confident	141 Å²	141	54 Å²	54	53%	0.532	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	135.5	169.1	-55.5	-161.6	162.8	162.7	-7.5	110	V648 V649 N650 L658 E686	V648-R661 HydrophobicContact CG1-CB 4.44Å; V649-R661 WeakPolarHBondContact O-CA 3.31Å; N650-R661 WeakPolarHBondContact OD1-CD 3.23Å; N650-R661 VanDerWaalsContact OD1-CG 3.25Å; N650-R661 WeakPolarHBondContact OD1-CG 2.96Å; N650-R661 PolarHBondContact OD1-NE 3Å; L658-R661 HydrophobicContact CD2-CG 4.23Å; R661-E686 IonicContact CZ-OE1 2.87Å; R661-E686 IonicContact CZ-OE2 2.95Å; R661-E686 IonicContact NE-OE2 3.78Å; R661-E686 PolarHBondContact NE-OE2 3.34Å; R661-E686 IonicContact NH1-OE1 3.78Å; R661-E686 IonicContact NH1-OE2 2.97Å; R661-E686 IonicContact NH2-OE1 3.81Å; R661-E686 IonicContact NH2-OE2 3.25Å
662	L	93.7	Very high	88.3	Confident	19 Å²	19	53.1 Å²	53.1	10%	0.099	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	136.2	172.9	-59.7	-178.3	0	0	0	109.7	I644 V648 V649 I651 T660 C666 F668	I644-L662 HydrophobicContact CD1-CB 3.7Å; V648-L662 WeakPolarHBondContact CA-O 3.36Å; V649-L662 HydrophobicContact CG2-CB 3.75Å; V649-L662 HydrophobicContact CG2-CD1 4.42Å; V649-L662 HydrophobicContact CG2-CG 4.46Å; V649-L662 PolarHBondContact N-O 3.03Å; V649-L662 PolarHBondContact O-N 3.13Å; I651-L662 HydrophobicContact CD1-CD1 3.78Å; I651-L662 HydrophobicContact CD1-CD2 4.39Å; I651-L662 HydrophobicContact CD1-CG 3.88Å; I651-L662 HydrophobicContact CG1-CD1 4.37Å; I651-L662 HydrophobicContact CG1-CG 4.36Å; T660-L662 HydrophobicContact CG2-CD2 4.43Å; L662-C666 HydrophobicContact CB-CB 3.88Å; L662-C666 HydrophobicContact CD1-CB 4.34Å; L662-C666 HydrophobicContact CD2-CB 4.11Å; L662-C666 HydrophobicContact CG-CB 4.34Å; L662-F668 HydrophobicContact CD1-CB 3.88Å; L662-F668 HydrophobicContact CD1-CD1 4.13Å; L662-F668 HydrophobicContact CD1-CG 4.39Å
663	S	93.5	Very high	88.2	Confident	64 Å²	64	51.4 Å²	51.4	45%	0.448	29%	0.289	S	S	.	.			trans	-114.3	-176.5	176.9	60.1	0	0	0	0	111.2	C666	S663-C666 WeakPolarHBondContact O-CB 3.48Å; S663-C666 PolarHBondContact O-N 2.7Å
664	D	91.5	Very high	88.3	Confident	84 Å²	84	51.6 Å²	51.6	45%	0.449	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-41	136.3	173.3	-53.7	0.2	0	0	0	112.6	E646 G647 C666	E646-D664 VanDerWaalsContact CA-OD1 3.27Å; E646-D664 WeakPolarHBondContact CA-OD1 3.44Å; G647-D664 PolarHBondContact N-OD1 3.5Å; D664-C666 VanDerWaalsContact C-N 3.26Å; D664-C666 PolarHBondContact O-N 2.71Å
665	G	88.6	Confident	88.6	Confident	4 Å²	4	45.2 Å²	45.2	4%	0.041	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.2	-11.4	-176.9	0	0	0	0	0	115.1	S601 V602 I644	S601-G665 VanDerWaalsContact OG-CA 3.3Å; S601-G665 WeakPolarHBondContact OG-CA 3.47Å; V602-G665 WeakPolarHBondContact CA-O 3.48Å; V602-G665 WeakPolarHBondContact CG2-O 3.49Å; I644-G665 PolarHBondContact O-N 2.72Å
666	C	92.2	Very high	88.7	Confident	38 Å²	38	43.3 Å²	43.3	26%	0.257	25%	0.253	S	S	.	.			trans	-82.7	160.8	170.4	-62.6	0	0	0	0	111.7	I644 L662 S663 D664	I644-C666 WeakPolarHBondContact CB-O 3.5Å; I644-C666 HydrophobicContact CD1-CB 4.17Å; I644-C666 WeakPolarHBondContact CG1-O 3.48Å; I644-C666 PolarHBondContact N-O 3.27Å; L662-C666 HydrophobicContact CB-CB 3.88Å; L662-C666 HydrophobicContact CD1-CB 4.34Å; L662-C666 HydrophobicContact CD2-CB 4.11Å; L662-C666 HydrophobicContact CG-CB 4.34Å; S663-C666 WeakPolarHBondContact O-CB 3.48Å; S663-C666 PolarHBondContact O-N 2.7Å; D664-C666 VanDerWaalsContact C-N 3.26Å; D664-C666 PolarHBondContact O-N 2.71Å
667	Y	93.3	Very high	89	Confident	15 Å²	15	41.8 Å²	41.8	6%	0.059	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	157.2	173	63.9	-91.6	0	0	0	110.7	V602 M641 Y642 F643 E670 L713 V716 R720	V602-Y667 HydrophobicContact CG1-CD1 3.93Å; V602-Y667 HydrophobicContact CG1-CE1 4.41Å; M641-Y667 HydrophobicContact CE-CD2 3.93Å; M641-Y667 HydrophobicContact CE-CG 4.4Å; Y642-Y667 CarbonylContact O-C 3.59Å; Y642-Y667 VanDerWaalsContact O-CA 3.26Å; Y642-Y667 WeakPolarHBondContact O-CA 3.25Å; Y642-Y667 WeakPolarHBondContact O-CB 3.18Å; F643-Y667 HydrophobicContact CD1-CG 4.29Å; F643-Y667 HydrophobicContact CE1-CG 4.26Å; Y667-E670 HydrophobicContact CD2-CG 4.47Å; Y667-E670 HydrophobicContact CE2-CB 4.47Å; Y667-E670 HydrophobicContact CE2-CG 4.01Å; Y667-L713 HydrophobicContact CE2-CD2 4.04Å; Y667-V716 WeakPolarHBondContact OH-CG1 3.22Å; Y667-R720 PolarHBondContact O-NH1 2.9Å; Y667-R720 PolarHBondContact O-NH2 2.64Å; Y667-R720 VanDerWaalsContact O-NH2 3.1Å
668	F	93.6	Very high	89.4	Confident	6 Å²	6	43.2 Å²	43.2	3%	0.026	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	161.3	-179	62.2	-91.8	0	0	0	113.1	I631 I632 Y642 I644 V649 L662 E670 V683 L691	I631-F668 HydrophobicContact CD1-CZ 4.2Å; I631-F668 HydrophobicContact CG2-CE2 3.97Å; I631-F668 HydrophobicContact CG2-CZ 4.06Å; I632-F668 HydrophobicContact CD1-CD2 3.6Å; I632-F668 HydrophobicContact CD1-CE2 3.74Å; I632-F668 HydrophobicContact CG1-CD2 4.48Å; I632-F668 HydrophobicContact CG1-CE2 4.18Å; Y642-F668 HydrophobicContact CD2-CD2 4.1Å; Y642-F668 AromaticContact CD2-CE2 3.46Å; Y642-F668 HydrophobicContact CD2-CE2 3.46Å; Y642-F668 VanDerWaalsContact CD2-CE2 3.46Å; Y642-F668 HydrophobicContact CD2-CZ 4Å; Y642-F668 HydrophobicContact CE2-CE2 4.29Å; Y642-F668 AromaticContact CG-CE2 3.94Å; Y642-F668 HydrophobicContact CG-CE2 3.94Å; Y642-F668 HydrophobicContact CG-CZ 4.01Å; Y642-F668 PolarHBondContact N-O 3.49Å; Y642-F668 PolarHBondContact O-N 3.26Å; I644-F668 HydrophobicContact CD1-CD1 3.98Å; I644-F668 HydrophobicContact CD1-CE1 3.91Å; I644-F668 HydrophobicContact CG1-CD1 4.04Å; I644-F668 HydrophobicContact CG1-CE1 3.72Å; V649-F668 HydrophobicContact CG1-CE1 4.37Å; V649-F668 HydrophobicContact CG2-CD1 4.16Å; V649-F668 HydrophobicContact CG2-CE1 3.91Å; L662-F668 HydrophobicContact CD1-CB 3.88Å; L662-F668 HydrophobicContact CD1-CD1 4.13Å; L662-F668 HydrophobicContact CD1-CG 4.39Å; F668-E670 VanDerWaalsContact CA-OE2 3.24Å; F668-E670 WeakPolarHBondContact CA-OE2 3.06Å; F668-V683 HydrophobicContact CD2-CB 4.36Å; F668-V683 HydrophobicContact CD2-CG1 4.1Å; F668-V683 HydrophobicContact CD2-CG2 3.94Å; F668-V683 HydrophobicContact CE1-CG1 4.41Å; F668-V683 HydrophobicContact CE2-CB 4.16Å; F668-V683 HydrophobicContact CE2-CG1 3.77Å; F668-V683 HydrophobicContact CE2-CG2 4.24Å; F668-V683 HydrophobicContact CZ-CG1 3.94Å; F668-L691 HydrophobicContact CE1-CD1 4.27Å; F668-L691 HydrophobicContact CE1-CD2 4.49Å; F668-L691 HydrophobicContact CZ-CD1 3.79Å
669	G	91.9	Very high	89.7	Confident	14 Å²	14	40.4 Å²	40.4	14%	0.144	22%	0.217	C	C	.	.			trans	90.7	7.7	177	0	0	0	0	0	114.8	R679	G669-R679 VanDerWaalsContact CA-NH1 3.28Å; G669-R679 PolarHBondContact O-NH1 3.34Å
670	E	90.3	Very high	89.9	Confident	3 Å²	3	39.3 Å²	39.3	1%	0.014	21%	0.206	C	C	.	.	H	α-helix	trans	-69.5	-36.6	178.9	71.2	-69.1	165.4	0	0	113.2	M641 Y667 F668 C672 L673 L674 R720	M641-E670 HydrophobicContact CE-CB 4.41Å; Y667-E670 HydrophobicContact CD2-CG 4.47Å; Y667-E670 HydrophobicContact CE2-CB 4.47Å; Y667-E670 HydrophobicContact CE2-CG 4.01Å; F668-E670 VanDerWaalsContact CA-OE2 3.24Å; F668-E670 WeakPolarHBondContact CA-OE2 3.06Å; E670-C672 PolarHBondContact O-N 3.43Å; E670-C672 VanDerWaalsContact O-N 3.15Å; E670-L673 WeakPolarHBondContact O-CB 3.25Å; E670-L673 PolarHBondContact O-N 3.16Å; E670-L674 PolarHBondContact O-N 3.28Å; E670-L674 VanDerWaalsContact O-N 3.08Å; E670-R720 WeakPolarHBondContact OE1-CD 3.25Å; E670-R720 IonicContact OE1-CZ 3.99Å; E670-R720 IonicContact OE1-NE 2.67Å; E670-R720 IonicContact OE1-NH1 2.89Å; E670-R720 PolarHBondContact OE1-NH1 3.23Å; E670-R720 IonicContact OE2-NH1 2.99Å; E670-R720 PolarHBondContact OE2-NH1 3.03Å; E670-R720 VanDerWaalsContact OE2-NH1 3.14Å
671	I	90.3	Very high	90	Very high	13 Å²	13	36.2 Å²	36.2	7%	0.067	19%	0.188	C	C	.	.	H	α-helix	trans	-55.3	-41.7	-175.2	-61.1	170.9	0	0	0	111.5	L673 L674 T675 V680 A717 R720 L721	I671-L673 VanDerWaalsContact C-N 3.32Å; I671-L673 PolarHBondContact O-N 2.92Å; I671-L674 PolarHBondContact O-N 2.84Å; I671-T675 HydrophobicContact CG2-CG2 4.22Å; I671-T675 WeakPolarHBondContact O-CB 3.26Å; I671-T675 WeakPolarHBondContact O-CG2 3.17Å; I671-T675 PolarHBondContact O-N 3.39Å; I671-T675 PolarHBondContact O-OG1 3.12Å; I671-V680 HydrophobicContact CD1-CG2 3.84Å; I671-V680 HydrophobicContact CG2-CG1 4.16Å; I671-V680 HydrophobicContact CG2-CG2 4.39Å; I671-A717 HydrophobicContact CG1-CB 3.95Å; I671-R720 HydrophobicContact CD1-CB 4.15Å; I671-L721 HydrophobicContact CG2-CD1 4.09Å
672	C	89.9	Confident	90	Very high	8 Å²	8	30.6 Å²	30.6	5%	0.054	17%	0.17	C	C	.	.	H	α-helix	trans	-66.5	-33.8	-179.5	-177.1	0	0	0	0	112.6	G638 E670 N676 A677	G638-C672 WeakPolarHBondContact CA-SG 3.3Å; G638-C672 PolarHBondContact N-SG 3.19Å; E670-C672 PolarHBondContact O-N 3.43Å; E670-C672 VanDerWaalsContact O-N 3.15Å; C672-N676 WeakPolarHBondContact O-CA 3.34Å; C672-N676 PolarHBondContact O-N 3.1Å; C672-A677 PolarHBondContact SG-O 3.11Å
673	L	89.4	Confident	90.1	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-75.9	-35.2	178.9	-58.2	-178	0	0	0	111.3	M641 E670 I671 Q696 F699 Y700	M641-L673 HydrophobicContact CB-CD1 3.74Å; M641-L673 HydrophobicContact CG-CD1 3.92Å; M641-L673 HydrophobicContact SD-CD1 4.38Å; E670-L673 WeakPolarHBondContact O-CB 3.25Å; E670-L673 PolarHBondContact O-N 3.16Å; I671-L673 VanDerWaalsContact C-N 3.32Å; I671-L673 PolarHBondContact O-N 2.92Å; L673-Q696 HydrophobicContact CD2-CB 3.75Å; L673-Q696 HydrophobicContact CD2-CG 3.88Å; L673-F699 HydrophobicContact CB-CD1 3.93Å; L673-F699 HydrophobicContact CB-CE1 3.77Å; L673-F699 HydrophobicContact CB-CZ 4.48Å; L673-F699 HydrophobicContact CD1-CB 4.3Å; L673-F699 HydrophobicContact CD1-CD1 3.95Å; L673-F699 HydrophobicContact CD1-CD2 4.33Å; L673-F699 HydrophobicContact CD1-CE1 4.27Å; L673-F699 HydrophobicContact CD1-CG 3.95Å; L673-Y700 PolarHBondContact O-OH 3.32Å
674	L	87.7	Confident	90.2	Very high	27 Å²	27	30.3 Å²	30.3	14%	0.141	16%	0.162	C	C	.	.	H	α-helix	trans	-78.5	-41.3	-179.7	-65.2	169.5	0	0	0	112.7	E670 I671 F699 L703 L713 E714 A717	E670-L674 PolarHBondContact O-N 3.28Å; E670-L674 VanDerWaalsContact O-N 3.08Å; I671-L674 PolarHBondContact O-N 2.84Å; L674-F699 HydrophobicContact CD2-CE1 3.9Å; L674-F699 HydrophobicContact CD2-CZ 3.95Å; L674-F699 HydrophobicContact CG-CE1 4.39Å; L674-F699 HydrophobicContact CG-CZ 4.34Å; L674-L703 HydrophobicContact CD2-CD1 4.29Å; L674-L713 HydrophobicContact CD1-CB 4.11Å; L674-E714 HydrophobicContact CD1-CG 4.16Å; L674-E714 HydrophobicContact CD2-CG 4.07Å; L674-A717 HydrophobicContact CD1-CB 3.81Å
675	T	83.9	Confident	90.5	Very high	26 Å²	26	26.3 Å²	26.3	16%	0.16	14%	0.141	C	C	.	.	H	α-helix	trans	-89	-11.4	-175	59.1	0	0	0	0	114	I671 A677	I671-T675 HydrophobicContact CG2-CG2 4.22Å; I671-T675 WeakPolarHBondContact O-CB 3.26Å; I671-T675 WeakPolarHBondContact O-CG2 3.17Å; I671-T675 PolarHBondContact O-N 3.39Å; I671-T675 PolarHBondContact O-OG1 3.12Å; T675-A677 PolarHBondContact O-N 3.17Å; T675-A677 VanDerWaalsContact OG1-CB 3.24Å; T675-A677 WeakPolarHBondContact OG1-CB 3.24Å; T675-A677 PolarHBondContact OG1-N 3.23Å
676	N	80.3	Confident	90.8	Very high	94 Å²	94	29.8 Å²	29.8	50%	0.503	16%	0.156	S	C	.	.			trans	51.5	21.3	-165.4	-76.8	-36.8	0	0	0	113.8	C672 Y700	C672-N676 WeakPolarHBondContact O-CA 3.34Å; C672-N676 PolarHBondContact O-N 3.1Å; N676-Y700 PolarHBondContact OD1-OH 3.43Å
677	A	83.5	Confident	91	Very high	25 Å²	25	30.6 Å²	30.6	21%	0.207	16%	0.16	C	C	.	.			trans	-89.8	178	177.1	0	0	0	0	0	111.4	C672 T675 I730	C672-A677 PolarHBondContact SG-O 3.11Å; T675-A677 PolarHBondContact O-N 3.17Å; T675-A677 VanDerWaalsContact OG1-CB 3.24Å; T675-A677 WeakPolarHBondContact OG1-CB 3.24Å; T675-A677 PolarHBondContact OG1-N 3.23Å; A677-I730 HydrophobicContact CB-CG2 3.62Å
678	R	90.7	Very high	91.1	Very high	137 Å²	137	34.1 Å²	34.1	52%	0.517	17%	0.174	S	C	.	.			trans	-75.1	158.9	172.2	-68.9	171.8	174.5	-147.5	8.3	110.8	G635 T636 Y637 V680	G635-R678 VanDerWaalsContact O-CD 3.32Å; G635-R678 WeakPolarHBondContact O-CD 3.46Å; G635-R678 PolarHBondContact O-NH1 3.47Å; T636-R678 CarbonylContact O-C 3.6Å; T636-R678 WeakPolarHBondContact O-CA 3.37Å; Y637-R678 HydrophobicContact CD1-CG 4.36Å; Y637-R678 HydrophobicContact CE1-CG 4.15Å; Y637-R678 PolarHBondContact OH-NE 2.87Å; Y637-R678 PolarHBondContact OH-NH2 3.26Å; R678-V680 PolarHBondContact O-N 3Å
679	R	91.9	Very high	91.2	Very high	18 Å²	18	33.9 Å²	33.9	7%	0.068	17%	0.173	C	C	.	.			trans	-53.8	127.6	175.2	-64.8	-66.1	-162.7	-171.4	1.8	111	I632 E634 G635 T636 G638 K640 G669	I632-R679 HydrophobicContact CG2-CB 3.9Å; I632-R679 HydrophobicContact CG2-CG 3.63Å; E634-R679 WeakPolarHBondContact CG-O 3.11Å; G635-R679 PolarHBondContact N-O 3.45Å; T636-R679 WeakPolarHBondContact O-CG 3.34Å; T636-R679 PolarHBondContact O-N 2.69Å; G638-R679 VanDerWaalsContact CA-CZ 3.42Å; G638-R679 VanDerWaalsContact CA-NE 3.29Å; K640-R679 PolarHBondContact O-NH1 2.87Å; K640-R679 PolarHBondContact O-NH2 3.25Å; G669-R679 VanDerWaalsContact CA-NH1 3.28Å; G669-R679 PolarHBondContact O-NH1 3.34Å
680	V	89.4	Confident	91.3	Very high	16 Å²	16	33.8 Å²	33.8	10%	0.097	17%	0.169	C	C	.	.	S	Bend	trans	-85.6	-23.8	-174.5	-65.9	0	0	0	0	114.4	E634 I671 R678 L721 L724 R726 I730	E634-V680 VanDerWaalsContact CD-O 3.28Å; E634-V680 WeakPolarHBondContact CG-O 3.41Å; I671-V680 HydrophobicContact CD1-CG2 3.84Å; I671-V680 HydrophobicContact CG2-CG1 4.16Å; I671-V680 HydrophobicContact CG2-CG2 4.39Å; R678-V680 PolarHBondContact O-N 3Å; V680-L721 HydrophobicContact CG1-CD1 4.24Å; V680-L724 HydrophobicContact CG2-CD1 4.12Å; V680-R726 PolarHBondContact O-NH1 3.49Å; V680-R726 PolarHBondContact O-NH2 2.92Å; V680-R726 VanDerWaalsContact O-NH2 3.1Å; V680-I730 HydrophobicContact CG1-CD1 4.32Å
681	A	91	Very high	91.5	Very high	9 Å²	9	33.6 Å²	33.6	7%	0.074	17%	0.169	C	C	.	.	S	Bend	trans	-143.1	162	176.3	0	0	0	0	0	110.2	I651	I651-A681 HydrophobicContact CG2-CB 3.64Å
682	S	93.8	Very high	91.7	Very high	22 Å²	22	34 Å²	34	15%	0.154	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	147.9	169.3	-68.4	0	0	0	0	109.9	I632 E634 I651 I652	I632-S682 CarbonylContact O-C 3.56Å; I632-S682 WeakPolarHBondContact O-CA 3.38Å; E634-S682 WeakPolarHBondContact CB-OG 3.39Å; E634-S682 PolarHBondContact N-OG 3.15Å; I651-S682 WeakPolarHBondContact CA-O 3.42Å; I652-S682 PolarHBondContact N-O 2.84Å; I652-S682 WeakPolarHBondContact O-CB 3.43Å; I652-S682 PolarHBondContact O-N 2.83Å
683	V	95.8	Very high	91.9	Very high	8 Å²	8	33.6 Å²	33.6	5%	0.048	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	121.3	176.5	-176.2	0	0	0	0	108.7	L630 I631 I632 V649 N650 F668	L630-V683 CarbonylContact C-O 3.55Å; I631-V683 HydrophobicContact CD1-CG1 4.31Å; I631-V683 PolarHBondContact N-O 3.25Å; I632-V683 HydrophobicContact CB-CB 4.02Å; I632-V683 HydrophobicContact CB-CG2 4.05Å; I632-V683 HydrophobicContact CD1-CG2 4.26Å; I632-V683 HydrophobicContact CG1-CB 4.46Å; I632-V683 HydrophobicContact CG1-CG2 4.47Å; I632-V683 PolarHBondContact N-O 3.28Å; I632-V683 PolarHBondContact O-N 3.39Å; V649-V683 HydrophobicContact CB-CG1 3.79Å; V649-V683 HydrophobicContact CG1-CG1 4.44Å; V649-V683 HydrophobicContact CG2-CG1 3.85Å; N650-V683 WeakPolarHBondContact O-CA 3.25Å; F668-V683 HydrophobicContact CD2-CB 4.36Å; F668-V683 HydrophobicContact CD2-CG1 4.1Å; F668-V683 HydrophobicContact CD2-CG2 3.94Å; F668-V683 HydrophobicContact CE1-CG1 4.41Å; F668-V683 HydrophobicContact CE2-CB 4.16Å; F668-V683 HydrophobicContact CE2-CG1 3.77Å; F668-V683 HydrophobicContact CE2-CG2 4.24Å; F668-V683 HydrophobicContact CZ-CG1 3.94Å
684	E	95.9	Very high	92.2	Very high	69 Å²	69	33.8 Å²	33.8	32%	0.322	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	138	-178.7	-176.6	178.8	-177.4	0	0	110.4	D629 V649 N650 I652	D629-E684 WeakPolarHBondContact O-CA 3.4Å; V649-E684 CarbonylContact C-O 3.55Å; V649-E684 VanDerWaalsContact CA-O 3.32Å; V649-E684 WeakPolarHBondContact CA-O 3.46Å; N650-E684 PolarHBondContact N-O 3.4Å; N650-E684 PolarHBondContact O-N 2.96Å; I652-E684 HydrophobicContact CD1-CB 3.91Å; I652-E684 WeakPolarHBondContact CD1-OE2 3.34Å
685	A	97.2	Very high	92.5	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.008	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	124.5	175.2	0	0	0	0	0	111.1	F625 Q626 G628 D629 I631	F625-A685 HydrophobicContact CB-CB 4.33Å; Q626-A685 WeakPolarHBondContact O-CB 3.42Å; G628-A685 PolarHBondContact N-O 3.14Å; D629-A685 PolarHBondContact O-N 2.78Å; I631-A685 HydrophobicContact CD1-CB 4.03Å; I631-A685 HydrophobicContact CG1-CB 4.49Å
686	E	95.5	Very high	92.9	Very high	76 Å²	76	36.2 Å²	36.2	36%	0.355	18%	0.178	S	C	.	.	S	Bend	trans	-84.3	-41.1	174.5	-173.8	168.3	162	0	0	111.3	P627 V648 N650 R661	P627-E686 VanDerWaalsContact CB-O 3.3Å; P627-E686 WeakPolarHBondContact CB-O 3.5Å; V648-E686 HydrophobicContact CB-CB 4.32Å; V648-E686 HydrophobicContact CG1-CB 4.33Å; V648-E686 WeakPolarHBondContact O-CB 3.44Å; V648-E686 PolarHBondContact O-N 3.38Å; N650-E686 PolarHBondContact ND2-OE2 3.08Å; N650-E686 PolarHBondContact OD1-OE2 2.84Å; R661-E686 IonicContact CZ-OE1 2.87Å; R661-E686 IonicContact CZ-OE2 2.95Å; R661-E686 IonicContact NE-OE2 3.78Å; R661-E686 PolarHBondContact NE-OE2 3.34Å; R661-E686 IonicContact NH1-OE1 3.78Å; R661-E686 IonicContact NH1-OE2 2.97Å; R661-E686 IonicContact NH2-OE1 3.81Å; R661-E686 IonicContact NH2-OE2 3.25Å
687	T	95.5	Very high	93.5	Very high	56 Å²	56	39.5 Å²	39.5	34%	0.344	19%	0.188	S	C	.	.	S	Bend	trans	-112.1	-177.3	176.9	64	0	0	0	0	110.4	G647 V648 C689	G647-T687 WeakPolarHBondContact CA-OG1 3.42Å; V648-T687 HydrophobicContact CB-CG2 4.47Å; V648-T687 PolarHBondContact N-OG1 2.86Å; V648-T687 PolarHBondContact O-N 3.03Å; T687-C689 PolarHBondContact O-N 3.43Å; T687-C689 PolarHBondContact O-SG 3.16Å; T687-C689 VanDerWaalsContact O-SG 3.42Å
688	Y	95.1	Very high	93.9	Very high	89 Å²	89	40.2 Å²	40.2	35%	0.349	19%	0.188	S	C	.	.			trans	-60.9	128.5	157.6	-77.1	-87.9	0	0	0	108.3	H566 F625 Q626 P627	H566-Y688 HydrophobicContact CB-CD1 4.14Å; H566-Y688 HydrophobicContact CB-CE1 4.09Å; H566-Y688 AromaticContact CD2-CD1 3.79Å; H566-Y688 AromaticContact CE1-CG 3.87Å; H566-Y688 AromaticContact CG-CD1 3.68Å; H566-Y688 AromaticContact ND1-CD1 3.92Å; H566-Y688 AromaticContact ND1-CG 3.95Å; F625-Y688 WeakPolarHBondContact O-CA 3.43Å; Q626-Y688 HydrophobicContact CB-CE1 4.16Å; Q626-Y688 HydrophobicContact CG-CD1 4.44Å; Q626-Y688 HydrophobicContact CG-CE1 3.85Å; P627-Y688 HydrophobicContact CG-CD2 4.34Å; P627-Y688 HydrophobicContact CG-CE2 4.13Å
689	C	95.6	Very high	94	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	124.4	-178	-63.4	0	0	0	0	109.7	V624 F625 E646 V648 V649 T687 L691	V624-C689 CarbonylContact C-O 3.59Å; V624-C689 WeakPolarHBondContact CA-O 3.19Å; F625-C689 HydrophobicContact CB-CB 4.42Å; F625-C689 PolarHBondContact N-O 3.06Å; F625-C689 PolarHBondContact O-N 2.93Å; E646-C689 CarbonylContact O-C 3.55Å; E646-C689 WeakPolarHBondContact O-CA 3.28Å; V648-C689 PolarHBondContact O-SG 3.23Å; V648-C689 VanDerWaalsContact O-SG 3.33Å; V649-C689 HydrophobicContact CG1-CB 4.5Å; T687-C689 PolarHBondContact O-N 3.43Å; T687-C689 PolarHBondContact O-SG 3.16Å; T687-C689 VanDerWaalsContact O-SG 3.42Å; C689-L691 HydrophobicContact CB-CD2 4.09Å; C689-L691 HydrophobicContact CB-CG 4.17Å
690	T	94.3	Very high	93.9	Very high	12 Å²	12	36.5 Å²	36.5	7%	0.074	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	113.1	168	-58.3	0	0	0	0	108.2	Q622 Q645 E646	Q622-T690 HydrophobicContact CG-CG2 3.92Å; Q622-T690 VanDerWaalsContact NE2-CG2 3.28Å; Q645-T690 HydrophobicContact CB-CG2 4.48Å; Q645-T690 WeakPolarHBondContact CB-O 3.47Å; Q645-T690 PolarHBondContact N-O 3Å; E646-T690 PolarHBondContact N-O 3.08Å; E646-T690 PolarHBondContact O-N 3.43Å
691	L	94.9	Very high	94	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	148.4	-173.7	-54.9	-174.3	0	0	0	110.7	Q622 E623 F625 I631 Y642 F643 I644 F668 C689	Q622-L691 CarbonylContact C-O 3.6Å; Q622-L691 WeakPolarHBondContact CA-O 3.03Å; E623-L691 PolarHBondContact N-O 2.89Å; E623-L691 PolarHBondContact O-N 3.2Å; E623-L691 VanDerWaalsContact O-O 3.13Å; F625-L691 HydrophobicContact CD2-CD1 3.58Å; F625-L691 HydrophobicContact CD2-CG 4.05Å; F625-L691 HydrophobicContact CE2-CB 4.48Å; F625-L691 HydrophobicContact CE2-CD1 3.71Å; F625-L691 HydrophobicContact CE2-CG 4.35Å; I631-L691 HydrophobicContact CD1-CD1 3.87Å; I631-L691 HydrophobicContact CG2-CD1 4.22Å; Y642-L691 HydrophobicContact CD1-CB 4.3Å; Y642-L691 HydrophobicContact CD1-CD1 4.19Å; Y642-L691 HydrophobicContact CG-CD1 4.35Å; F643-L691 CarbonylContact O-C 3.43Å; F643-L691 VanDerWaalsContact O-CA 3.32Å; F643-L691 WeakPolarHBondContact O-CA 3.14Å; I644-L691 HydrophobicContact CB-CD2 4.05Å; I644-L691 HydrophobicContact CG1-CD2 3.76Å; I644-L691 HydrophobicContact CG2-CD2 4.06Å; F668-L691 HydrophobicContact CE1-CD1 4.27Å; F668-L691 HydrophobicContact CE1-CD2 4.49Å; F668-L691 HydrophobicContact CZ-CD1 3.79Å; C689-L691 HydrophobicContact CB-CD2 4.09Å; C689-L691 HydrophobicContact CB-CG 4.17Å
692	Y	94.5	Very high	94	Very high	20 Å²	20	39 Å²	39	8%	0.078	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	119.8	164.7	-77.3	-79.9	0	0	0	110	L598 L620 K621 Q622 Y642 F643 Q645	L598-Y692 HydrophobicContact CD1-CD2 4.42Å; L598-Y692 HydrophobicContact CD2-CD2 3.64Å; L598-Y692 HydrophobicContact CD2-CE2 4.24Å; L598-Y692 HydrophobicContact CD2-CG 4.16Å; L620-Y692 HydrophobicContact CB-CD1 3.81Å; L620-Y692 HydrophobicContact CB-CG 4.31Å; L620-Y692 HydrophobicContact CD1-CD1 4.41Å; L620-Y692 HydrophobicContact CD1-CG 4.24Å; K621-Y692 WeakPolarHBondContact O-CA 3.09Å; Q622-Y692 HydrophobicContact CB-CD1 4.14Å; Q622-Y692 HydrophobicContact CB-CE1 3.78Å; Q622-Y692 HydrophobicContact CG-CE1 4.25Å; Y642-Y692 CarbonylContact C-O 3.48Å; Y642-Y692 WeakPolarHBondContact CA-O 3.48Å; F643-Y692 PolarHBondContact N-O 3.22Å; F643-Y692 PolarHBondContact O-N 3.18Å; Q645-Y692 HydrophobicContact CB-CD2 4.12Å; Q645-Y692 HydrophobicContact CB-CE2 4.08Å; Q645-Y692 HydrophobicContact CG-CE2 4.22Å
693	S	95.1	Very high	93.8	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.007	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	140.8	174.9	66.1	0	0	0	0	111.6	K621 E623 M641	K621-S693 PolarHBondContact N-O 2.95Å; K621-S693 PolarHBondContact O-N 3.1Å; K621-S693 PolarHBondContact O-OG 3.35Å; K621-S693 VanDerWaalsContact O-OG 3.13Å; E623-S693 PolarHBondContact OE1-OG 3.15Å; M641-S693 WeakPolarHBondContact O-CA 3.24Å
694	L	94.4	Very high	93.5	Very high	4 Å²	4	45.6 Å²	45.6	2%	0.021	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	118.9	171.3	-177.5	62.8	0	0	0	109.2	V616 K619 L620 K640 M641 F643 N698 F699	V616-L694 HydrophobicContact CG1-CD2 4.3Å; K619-L694 HydrophobicContact CB-CD1 3.88Å; L620-L694 HydrophobicContact CD2-CB 3.93Å; L620-L694 HydrophobicContact CD2-CD1 4.32Å; K640-L694 CarbonylContact C-O 3.44Å; K640-L694 WeakPolarHBondContact CA-O 3.24Å; K640-L694 VanDerWaalsContact CB-O 3.24Å; K640-L694 WeakPolarHBondContact CB-O 3.32Å; M641-L694 HydrophobicContact CG-CB 3.85Å; M641-L694 HydrophobicContact CG-CD2 4.39Å; M641-L694 PolarHBondContact N-O 3.45Å; M641-L694 PolarHBondContact O-N 3.27Å; M641-L694 HydrophobicContact SD-CD2 4.14Å; F643-L694 HydrophobicContact CE2-CB 4.21Å; F643-L694 HydrophobicContact CE2-CD2 4.27Å; L694-N698 HydrophobicContact CD1-CB 3.8Å; L694-F699 HydrophobicContact CD2-CB 4.18Å; L694-F699 HydrophobicContact CD2-CD2 3.86Å; L694-F699 HydrophobicContact CG-CB 4.28Å
695	D	94.2	Very high	93.2	Very high	48 Å²	48	47 Å²	47	26%	0.257	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	147.7	-178.8	-72.7	-40.3	0	0	0	111.7	K621 K697 N698 F699	K621-D695 IonicContact NZ-OD2 3.75Å; K621-D695 PolarHBondContact NZ-OD2 3.41Å; D695-K697 VanDerWaalsContact C-N 3.3Å; D695-K697 PolarHBondContact O-N 3.44Å; D695-N698 WeakPolarHBondContact O-CB 3.15Å; D695-N698 PolarHBondContact O-N 2.83Å; D695-F699 WeakPolarHBondContact O-CB 3.25Å; D695-F699 PolarHBondContact O-N 3.12Å
696	Q	92.2	Very high	92.9	Very high	56 Å²	56	49.8 Å²	49.8	26%	0.262	24%	0.235	S	C	.	.	H	α-helix	trans	-53.7	-42.3	-178.1	177.8	176.5	31.6	0	0	113.4	T639 L673 F699 Y700	T639-Q696 VanDerWaalsContact O-CB 3.28Å; T639-Q696 WeakPolarHBondContact O-CB 3.26Å; T639-Q696 PolarHBondContact O-N 2.95Å; L673-Q696 HydrophobicContact CD2-CB 3.75Å; L673-Q696 HydrophobicContact CD2-CG 3.88Å; Q696-F699 WeakPolarHBondContact O-CB 3.5Å; Q696-F699 PolarHBondContact O-N 2.9Å; Q696-Y700 HydrophobicContact CG-CD2 3.79Å; Q696-Y700 HydrophobicContact CG-CE2 3.24Å; Q696-Y700 PolarHBondContact NE2-OH 3.28Å; Q696-Y700 VanDerWaalsContact NE2-OH 3.09Å; Q696-Y700 WeakPolarHBondContact O-CD2 3.21Å; Q696-Y700 PolarHBondContact O-N 2.94Å
697	K	92.3	Very high	92.5	Very high	162 Å²	162	50.1 Å²	50.1	70%	0.704	24%	0.244	S	C	*	.	H	α-helix	trans	-61.2	-53.3	178.7	-64.7	-176.1	178.3	-174.5	0	110.8	D695 F699 Y700 D701	D695-K697 VanDerWaalsContact C-N 3.3Å; D695-K697 PolarHBondContact O-N 3.44Å; K697-F699 PolarHBondContact O-N 3.03Å; K697-Y700 PolarHBondContact O-N 3.16Å; K697-Y700 VanDerWaalsContact O-N 3.14Å; K697-D701 PolarHBondContact O-N 3.26Å
698	N	93.1	Very high	92.1	Very high	40 Å²	40	55.3 Å²	55.3	21%	0.214	26%	0.264	C	S	.	.	H	α-helix	trans	-58.1	-37.8	178	-68.4	1.3	0	0	0	111.9	K619 L694 D695 V702	K619-N698 HydrophobicContact CB-CB 4.1Å; K619-N698 HydrophobicContact CD-CB 3.72Å; K619-N698 HydrophobicContact CG-CB 4.35Å; L694-N698 HydrophobicContact CD1-CB 3.8Å; D695-N698 WeakPolarHBondContact O-CB 3.15Å; D695-N698 PolarHBondContact O-N 2.83Å; N698-V702 VanDerWaalsContact O-CG2 3.29Å; N698-V702 WeakPolarHBondContact O-CG2 3.28Å; N698-V702 PolarHBondContact O-N 3.31Å; N698-V702 VanDerWaalsContact O-N 3.15Å
699	F	91.7	Very high	91.8	Very high	7 Å²	7	52.1 Å²	52.1	3%	0.031	25%	0.253	C	S	.	.	H	α-helix	trans	-63.5	-47.2	176.6	179.1	-101.7	0	0	0	112.2	M641 L673 L674 L694 D695 Q696 K697 V702 L703 L713	M641-F699 HydrophobicContact SD-CD2 3.58Å; M641-F699 VanDerWaalsContact SD-CD2 3.58Å; M641-F699 HydrophobicContact SD-CE2 3.48Å; M641-F699 WeakPolarHBondContact SD-CE2 3.39Å; M641-F699 HydrophobicContact SD-CZ 4.45Å; L673-F699 HydrophobicContact CB-CD1 3.93Å; L673-F699 HydrophobicContact CB-CE1 3.77Å; L673-F699 HydrophobicContact CB-CZ 4.48Å; L673-F699 HydrophobicContact CD1-CB 4.3Å; L673-F699 HydrophobicContact CD1-CD1 3.95Å; L673-F699 HydrophobicContact CD1-CD2 4.33Å; L673-F699 HydrophobicContact CD1-CE1 4.27Å; L673-F699 HydrophobicContact CD1-CG 3.95Å; L674-F699 HydrophobicContact CD2-CE1 3.9Å; L674-F699 HydrophobicContact CD2-CZ 3.95Å; L674-F699 HydrophobicContact CG-CE1 4.39Å; L674-F699 HydrophobicContact CG-CZ 4.34Å; L694-F699 HydrophobicContact CD2-CB 4.18Å; L694-F699 HydrophobicContact CD2-CD2 3.86Å; L694-F699 HydrophobicContact CG-CB 4.28Å; D695-F699 WeakPolarHBondContact O-CB 3.25Å; D695-F699 PolarHBondContact O-N 3.12Å; Q696-F699 WeakPolarHBondContact O-CB 3.5Å; Q696-F699 PolarHBondContact O-N 2.9Å; K697-F699 PolarHBondContact O-N 3.03Å; F699-V702 PolarHBondContact O-N 3.1Å; F699-L703 HydrophobicContact CD1-CD1 3.95Å; F699-L703 HydrophobicContact CD2-CD1 4.36Å; F699-L703 HydrophobicContact CE1-CD1 3.37Å; F699-L703 HydrophobicContact CE1-CG 4.43Å; F699-L703 HydrophobicContact CE2-CD1 3.83Å; F699-L703 HydrophobicContact CE2-CG 4.39Å; F699-L703 HydrophobicContact CG-CD1 4.43Å; F699-L703 HydrophobicContact CZ-CD1 3.32Å; F699-L703 HydrophobicContact CZ-CG 4.32Å; F699-L703 WeakPolarHBondContact O-CG 3.37Å; F699-L703 PolarHBondContact O-N 3.25Å; F699-L713 HydrophobicContact CE2-CD1 3.75Å; F699-L713 HydrophobicContact CZ-CD1 3.87Å
700	Y	91	Very high	91.4	Very high	71 Å²	71	57.4 Å²	57.4	28%	0.278	27%	0.273	S	S	.	.	H	α-helix	trans	-64.6	-43.5	176.3	-68.6	-52.3	0	0	0	112.3	L673 N676 Q696 K697 V702 L703 E704	L673-Y700 PolarHBondContact O-OH 3.32Å; N676-Y700 PolarHBondContact OD1-OH 3.43Å; Q696-Y700 HydrophobicContact CG-CD2 3.79Å; Q696-Y700 HydrophobicContact CG-CE2 3.24Å; Q696-Y700 PolarHBondContact NE2-OH 3.28Å; Q696-Y700 VanDerWaalsContact NE2-OH 3.09Å; Q696-Y700 WeakPolarHBondContact O-CD2 3.21Å; Q696-Y700 PolarHBondContact O-N 2.94Å; K697-Y700 PolarHBondContact O-N 3.16Å; K697-Y700 VanDerWaalsContact O-N 3.14Å; Y700-V702 VanDerWaalsContact C-N 3.26Å; Y700-V702 PolarHBondContact O-N 3.49Å; Y700-L703 PolarHBondContact O-N 2.9Å; Y700-L703 VanDerWaalsContact O-N 3.17Å; Y700-E704 WeakPolarHBondContact O-CB 3.23Å; Y700-E704 PolarHBondContact O-N 2.88Å
701	D	90.8	Very high	91.1	Very high	75 Å²	75	61.9 Å²	61.9	40%	0.401	30%	0.295	S	S	.	.	H	α-helix	trans	-57.5	-41.1	179.8	-60.3	-17.8	0	0	0	111.4	K697	K697-D701 PolarHBondContact O-N 3.26Å
702	V	91	Very high	90.7	Very high	3 Å²	3	65.1 Å²	65.1	2%	0.018	32%	0.315	C	S	.	.	H	α-helix	trans	-72	-43	177.6	178.8	0	0	0	0	111.2	F612 E615 V616 K619 N698 F699 Y700 E704 N705 Y706	F612-V702 HydrophobicContact CD2-CG1 3.52Å; F612-V702 HydrophobicContact CE2-CG1 3.4Å; E615-V702 HydrophobicContact CG-CG2 4.12Å; V616-V702 HydrophobicContact CG2-CG1 3.74Å; V616-V702 HydrophobicContact CG2-CG2 4.39Å; K619-V702 HydrophobicContact CD-CG2 3.91Å; N698-V702 VanDerWaalsContact O-CG2 3.29Å; N698-V702 WeakPolarHBondContact O-CG2 3.28Å; N698-V702 PolarHBondContact O-N 3.31Å; N698-V702 VanDerWaalsContact O-N 3.15Å; F699-V702 PolarHBondContact O-N 3.1Å; Y700-V702 VanDerWaalsContact C-N 3.26Å; Y700-V702 PolarHBondContact O-N 3.49Å; V702-E704 VanDerWaalsContact C-N 3.26Å; V702-E704 PolarHBondContact O-N 3.35Å; V702-N705 PolarHBondContact O-N 2.99Å; V702-Y706 HydrophobicContact CG1-CD2 4.18Å; V702-Y706 WeakPolarHBondContact O-CD2 3.2Å; V702-Y706 PolarHBondContact O-N 3.38Å; V702-Y706 VanDerWaalsContact O-N 3.14Å
703	L	89.5	Confident	90.4	Very high	8 Å²	8	64.5 Å²	64.5	4%	0.042	31%	0.313	C	S	.	.	H	α-helix	trans	-70.6	-21.7	-178.4	-69.9	-172	0	0	0	113.7	L674 F699 Y700 N705 Y706 M709 R710 L713	L674-L703 HydrophobicContact CD2-CD1 4.29Å; F699-L703 HydrophobicContact CD1-CD1 3.95Å; F699-L703 HydrophobicContact CD2-CD1 4.36Å; F699-L703 HydrophobicContact CE1-CD1 3.37Å; F699-L703 HydrophobicContact CE1-CG 4.43Å; F699-L703 HydrophobicContact CE2-CD1 3.83Å; F699-L703 HydrophobicContact CE2-CG 4.39Å; F699-L703 HydrophobicContact CG-CD1 4.43Å; F699-L703 HydrophobicContact CZ-CD1 3.32Å; F699-L703 HydrophobicContact CZ-CG 4.32Å; F699-L703 WeakPolarHBondContact O-CG 3.37Å; F699-L703 PolarHBondContact O-N 3.25Å; Y700-L703 PolarHBondContact O-N 2.9Å; Y700-L703 VanDerWaalsContact O-N 3.17Å; L703-N705 VanDerWaalsContact C-N 3.32Å; L703-Y706 CarbonylContact O-C 3.51Å; L703-Y706 PolarHBondContact O-N 3.08Å; L703-M709 HydrophobicContact CD2-CB 4.21Å; L703-M709 HydrophobicContact CD2-CG 4.25Å; L703-R710 HydrophobicContact CB-CB 4.36Å; L703-R710 HydrophobicContact CD1-CB 4.18Å; L703-R710 HydrophobicContact CD1-CG 4.24Å; L703-R710 HydrophobicContact CD2-CB 4.2Å; L703-R710 HydrophobicContact CG-CB 4.5Å; L703-L713 HydrophobicContact CD1-CD1 4.13Å; L703-L713 HydrophobicContact CD2-CD1 3.93Å
704	E	89.9	Confident	90.1	Very high	159 Å²	159	68.2 Å²	68.2	74%	0.743	33%	0.33	S	S	*	.	H	α-helix	trans	-65.3	-37.5	170.8	-170.9	171	-171.6	0	0	111.3	Y700 V702	Y700-E704 WeakPolarHBondContact O-CB 3.23Å; Y700-E704 PolarHBondContact O-N 2.88Å; V702-E704 VanDerWaalsContact C-N 3.26Å; V702-E704 PolarHBondContact O-N 3.35Å
705	N	89.3	Confident	89.8	Confident	99 Å²	99	71.5 Å²	71.5	53%	0.529	35%	0.35	S	S	.	.	H	α-helix	trans	-76.7	-29.3	176.4	-65.1	-24.2	0	0	0	113	E615 V702 L703 P707	E615-N705 PolarHBondContact OE2-ND2 2.8Å; V702-N705 PolarHBondContact O-N 2.99Å; L703-N705 VanDerWaalsContact C-N 3.32Å; N705-P707 WeakPolarHBondContact O-CD 3.39Å
706	Y	90.6	Very high	89.5	Confident	60 Å²	60	70.8 Å²	70.8	24%	0.235	35%	0.348	C	S	.	.			trans	-127.3	75.1	-173.6	-61.5	-84.9	0	0	0	112.1	N611 F612 V702 L703 E708 M709 R710	N611-Y706 VanDerWaalsContact CB-OH 3.27Å; N611-Y706 WeakPolarHBondContact CB-OH 3.36Å; F612-Y706 HydrophobicContact CB-CD1 3.9Å; F612-Y706 HydrophobicContact CB-CD2 4.04Å; F612-Y706 HydrophobicContact CB-CE1 3.87Å; F612-Y706 HydrophobicContact CB-CE2 4.02Å; F612-Y706 HydrophobicContact CB-CG 3.99Å; F612-Y706 AromaticContact CD2-CD2 3.69Å; F612-Y706 HydrophobicContact CD2-CD2 3.69Å; F612-Y706 HydrophobicContact CD2-CE2 4.35Å; F612-Y706 AromaticContact CD2-CG 3.79Å; F612-Y706 HydrophobicContact CD2-CG 3.79Å; F612-Y706 HydrophobicContact CG-CD2 4.37Å; F612-Y706 HydrophobicContact CG-CG 4.31Å; F612-Y706 PolarHBondContact N-OH 2.84Å; V702-Y706 HydrophobicContact CG1-CD2 4.18Å; V702-Y706 WeakPolarHBondContact O-CD2 3.2Å; V702-Y706 PolarHBondContact O-N 3.38Å; V702-Y706 VanDerWaalsContact O-N 3.14Å; L703-Y706 CarbonylContact O-C 3.51Å; L703-Y706 PolarHBondContact O-N 3.08Å; Y706-E708 VanDerWaalsContact C-N 3.31Å; Y706-E708 PolarHBondContact O-N 2.99Å; Y706-M709 WeakPolarHBondContact O-CB 3.24Å; Y706-M709 PolarHBondContact O-N 3.27Å; Y706-R710 PolarHBondContact O-N 2.76Å
707	P	88.4	Confident	89.3	Confident	82 Å²	82	68.6 Å²	68.6	53%	0.532	34%	0.339	S	S	.	.	H	α-helix	trans	-65.6	-29.3	-175.2	25.6	-34.9	0	0	0	113.7	N705 M709 R710 I711	N705-P707 WeakPolarHBondContact O-CD 3.39Å; P707-M709 PolarHBondContact O-N 2.85Å; P707-R710 WeakPolarHBondContact O-CB 3.48Å; P707-R710 PolarHBondContact O-N 3.47Å; P707-R710 VanDerWaalsContact O-N 3.16Å; P707-I711 PolarHBondContact O-N 2.92Å
708	E	87	Confident	89	Confident	165 Å²	165	62.4 Å²	62.4	77%	0.771	32%	0.319	S	S	*	.	H	α-helix	trans	-60.2	-38.4	175.7	-62.6	-173.4	169.3	0	0	111.7	Y706 R710 I711 T712	Y706-E708 VanDerWaalsContact C-N 3.31Å; Y706-E708 PolarHBondContact O-N 2.99Å; E708-R710 VanDerWaalsContact C-N 3.32Å; E708-R710 PolarHBondContact O-N 3.36Å; E708-I711 PolarHBondContact O-N 3.32Å; E708-T712 PolarHBondContact O-N 3.37Å; E708-T712 PolarHBondContact O-OG1 3.18Å
709	M	87.5	Confident	88.7	Confident	23 Å²	23	66.1 Å²	66.1	11%	0.113	34%	0.335	C	S	.	.	H	α-helix	trans	-69.3	-33.7	178.6	-169	55	64.1	0	0	112.1	I604 A608 F612 L703 Y706 P707 I711 T712 L713	I604-M709 HydrophobicContact CD1-CG 4.46Å; I604-M709 HydrophobicContact CD1-SD 3.46Å; I604-M709 WeakPolarHBondContact CD1-SD 3.48Å; I604-M709 HydrophobicContact CG1-CE 4.33Å; I604-M709 HydrophobicContact CG1-SD 3.38Å; I604-M709 WeakPolarHBondContact CG1-SD 3.46Å; A608-M709 HydrophobicContact CB-CE 3.45Å; A608-M709 VanDerWaalsContact CB-CE 3.45Å; F612-M709 HydrophobicContact CD1-CE 4.1Å; F612-M709 HydrophobicContact CD2-CG 4.4Å; F612-M709 HydrophobicContact CE1-CE 3.9Å; F612-M709 HydrophobicContact CE1-CG 3.91Å; F612-M709 HydrophobicContact CE1-SD 4.26Å; F612-M709 HydrophobicContact CE2-CB 4.15Å; F612-M709 HydrophobicContact CE2-CG 3.68Å; F612-M709 HydrophobicContact CZ-CB 4.35Å; F612-M709 HydrophobicContact CZ-CE 4.38Å; F612-M709 HydrophobicContact CZ-CG 3.42Å; F612-M709 VanDerWaalsContact CZ-CG 3.42Å; F612-M709 HydrophobicContact CZ-SD 4.28Å; L703-M709 HydrophobicContact CD2-CB 4.21Å; L703-M709 HydrophobicContact CD2-CG 4.25Å; Y706-M709 WeakPolarHBondContact O-CB 3.24Å; Y706-M709 PolarHBondContact O-N 3.27Å; P707-M709 PolarHBondContact O-N 2.85Å; M709-I711 VanDerWaalsContact C-N 3.34Å; M709-I711 PolarHBondContact O-N 3.19Å; M709-T712 PolarHBondContact O-N 3.42Å; M709-L713 HydrophobicContact CG-CD1 4.5Å; M709-L713 WeakPolarHBondContact O-CG 3.42Å; M709-L713 PolarHBondContact O-N 2.87Å
710	R	88.1	Confident	88.5	Confident	111 Å²	111	68.7 Å²	68.7	42%	0.419	34%	0.344	S	S	.	.	H	α-helix	trans	-60.5	-44.4	174.2	178.6	177.6	176.6	158	0.9	111.2	L703 Y706 P707 E708 T712 L713 E714	L703-R710 HydrophobicContact CB-CB 4.36Å; L703-R710 HydrophobicContact CD1-CB 4.18Å; L703-R710 HydrophobicContact CD1-CG 4.24Å; L703-R710 HydrophobicContact CD2-CB 4.2Å; L703-R710 HydrophobicContact CG-CB 4.5Å; Y706-R710 PolarHBondContact O-N 2.76Å; P707-R710 WeakPolarHBondContact O-CB 3.48Å; P707-R710 PolarHBondContact O-N 3.47Å; P707-R710 VanDerWaalsContact O-N 3.16Å; E708-R710 VanDerWaalsContact C-N 3.32Å; E708-R710 PolarHBondContact O-N 3.36Å; R710-T712 VanDerWaalsContact C-N 3.33Å; R710-T712 PolarHBondContact O-N 3.27Å; R710-L713 PolarHBondContact O-N 3.34Å; R710-E714 HydrophobicContact CG-CG 4.38Å; R710-E714 WeakPolarHBondContact CG-OE1 3.42Å; R710-E714 IonicContact CZ-OE1 3.67Å; R710-E714 IonicContact NE-OE1 2.91Å; R710-E714 PolarHBondContact NE-OE1 3.24Å; R710-E714 IonicContact NH2-OE1 3.1Å; R710-E714 WeakPolarHBondContact O-CB 3.36Å; R710-E714 WeakPolarHBondContact O-CG 3.4Å; R710-E714 PolarHBondContact O-N 2.81Å
711	I	87.5	Confident	88.2	Confident	105 Å²	105	65.7 Å²	65.7	54%	0.538	33%	0.333	S	S	.	.	H	α-helix	trans	-61.6	-43.2	178.5	-62.5	168.6	0	0	0	110.7	P707 E708 M709 L713 E714 T715	P707-I711 PolarHBondContact O-N 2.92Å; E708-I711 PolarHBondContact O-N 3.32Å; M709-I711 VanDerWaalsContact C-N 3.34Å; M709-I711 PolarHBondContact O-N 3.19Å; I711-L713 PolarHBondContact O-N 3.07Å; I711-E714 PolarHBondContact O-N 2.7Å; I711-T715 WeakPolarHBondContact O-CB 3.47Å; I711-T715 PolarHBondContact O-N 3.42Å; I711-T715 PolarHBondContact O-OG1 2.93Å
712	T	87.9	Confident	87.8	Confident	68 Å²	68	69.1 Å²	69.1	42%	0.417	35%	0.346	S	S	.	.	H	α-helix	trans	-59.8	-46.5	176.4	-58.8	0	0	0	0	111.3	I604 E708 M709 R710 T715 V716	I604-T712 HydrophobicContact CD1-CG2 4.46Å; I604-T712 HydrophobicContact CG1-CG2 4.44Å; E708-T712 PolarHBondContact O-N 3.37Å; E708-T712 PolarHBondContact O-OG1 3.18Å; M709-T712 PolarHBondContact O-N 3.42Å; R710-T712 VanDerWaalsContact C-N 3.33Å; R710-T712 PolarHBondContact O-N 3.27Å; T712-T715 PolarHBondContact O-N 3.13Å; T712-V716 WeakPolarHBondContact O-CG2 3.49Å; T712-V716 PolarHBondContact O-N 3.43Å; T712-V716 VanDerWaalsContact O-N 3.07Å
713	L	88.1	Confident	87.3	Confident	8 Å²	8	73.4 Å²	73.4	4%	0.042	38%	0.376	C	S	.	.	H	α-helix	trans	-64.6	-39.7	177	-76.2	170.4	0	0	0	112.9	I604 Y667 L674 F699 L703 M709 R710 I711 T715 A717	I604-L713 HydrophobicContact CD1-CD1 4.41Å; I604-L713 HydrophobicContact CD1-CD2 3.34Å; I604-L713 HydrophobicContact CD1-CG 3.61Å; Y667-L713 HydrophobicContact CE2-CD2 4.04Å; L674-L713 HydrophobicContact CD1-CB 4.11Å; F699-L713 HydrophobicContact CE2-CD1 3.75Å; F699-L713 HydrophobicContact CZ-CD1 3.87Å; L703-L713 HydrophobicContact CD1-CD1 4.13Å; L703-L713 HydrophobicContact CD2-CD1 3.93Å; M709-L713 HydrophobicContact CG-CD1 4.5Å; M709-L713 WeakPolarHBondContact O-CG 3.42Å; M709-L713 PolarHBondContact O-N 2.87Å; R710-L713 PolarHBondContact O-N 3.34Å; I711-L713 PolarHBondContact O-N 3.07Å; L713-T715 VanDerWaalsContact C-N 3.34Å; L713-A717 WeakPolarHBondContact O-CB 3.42Å; L713-A717 PolarHBondContact O-N 3.48Å
714	E	87.9	Confident	86.7	Confident	78 Å²	78	74.9 Å²	74.9	36%	0.364	38%	0.384	S	S	.	.	H	α-helix	trans	-64.4	-38.6	175.6	-74.8	175.4	-177.6	0	0	111.8	L674 R710 I711 A717 A718	L674-E714 HydrophobicContact CD1-CG 4.16Å; L674-E714 HydrophobicContact CD2-CG 4.07Å; R710-E714 HydrophobicContact CG-CG 4.38Å; R710-E714 WeakPolarHBondContact CG-OE1 3.42Å; R710-E714 IonicContact CZ-OE1 3.67Å; R710-E714 IonicContact NE-OE1 2.91Å; R710-E714 PolarHBondContact NE-OE1 3.24Å; R710-E714 IonicContact NH2-OE1 3.1Å; R710-E714 WeakPolarHBondContact O-CB 3.36Å; R710-E714 WeakPolarHBondContact O-CG 3.4Å; R710-E714 PolarHBondContact O-N 2.81Å; I711-E714 PolarHBondContact O-N 2.7Å; E714-A717 PolarHBondContact O-N 3Å; E714-A718 WeakPolarHBondContact O-CB 3.36Å; E714-A718 PolarHBondContact O-N 3.04Å
715	T	88.4	Confident	85.7	Confident	73 Å²	73	70.3 Å²	70.3	45%	0.448	38%	0.38	S	S	.	.	H	α-helix	trans	-63.1	-50.5	175.8	-54.6	0	0	0	0	111.1	I711 T712 L713 A717 A718 E719	I711-T715 WeakPolarHBondContact O-CB 3.47Å; I711-T715 PolarHBondContact O-N 3.42Å; I711-T715 PolarHBondContact O-OG1 2.93Å; T712-T715 PolarHBondContact O-N 3.13Å; L713-T715 VanDerWaalsContact C-N 3.34Å; T715-A717 VanDerWaalsContact C-N 3.31Å; T715-A717 PolarHBondContact O-N 3.16Å; T715-A718 PolarHBondContact O-N 2.98Å; T715-E719 PolarHBondContact O-N 3.44Å; T715-E719 VanDerWaalsContact O-N 3.07Å
716	V	87.6	Confident	84.5	Confident	34 Å²	34	69 Å²	69	21%	0.206	37%	0.368	C	S	.	.	H	α-helix	trans	-63.1	-38.7	177.3	176.1	0	0	0	0	111.4	Y667 T712 A718 E719 R720	Y667-V716 WeakPolarHBondContact OH-CG1 3.22Å; T712-V716 WeakPolarHBondContact O-CG2 3.49Å; T712-V716 PolarHBondContact O-N 3.43Å; T712-V716 VanDerWaalsContact O-N 3.07Å; V716-A718 VanDerWaalsContact C-N 3.34Å; V716-A718 PolarHBondContact O-N 3.21Å; V716-E719 PolarHBondContact O-N 2.8Å; V716-R720 HydrophobicContact CG1-CG 4.41Å; V716-R720 WeakPolarHBondContact O-CB 3.4Å; V716-R720 VanDerWaalsContact O-CG 3.31Å; V716-R720 WeakPolarHBondContact O-CG 3.45Å; V716-R720 PolarHBondContact O-N 2.94Å
717	A	87.6	Confident	82.6	Confident	9 Å²	9	76.9 Å²	76.9	7%	0.074	40%	0.397	C	S	.	.	H	α-helix	trans	-62.9	-39.4	176	0	0	0	0	0	112.2	I671 L674 L713 E714 T715 L721	I671-A717 HydrophobicContact CG1-CB 3.95Å; L674-A717 HydrophobicContact CD1-CB 3.81Å; L713-A717 WeakPolarHBondContact O-CB 3.42Å; L713-A717 PolarHBondContact O-N 3.48Å; E714-A717 PolarHBondContact O-N 3Å; T715-A717 VanDerWaalsContact C-N 3.31Å; T715-A717 PolarHBondContact O-N 3.16Å; A717-L721 WeakPolarHBondContact O-CB 3.34Å; A717-L721 PolarHBondContact O-N 3.01Å
718	A	85.6	Confident	80.5	Confident	33 Å²	33	75.5 Å²	75.5	27%	0.273	39%	0.392	S	S	.	.	H	α-helix	trans	-66.2	-44.7	176.8	0	0	0	0	0	111.9	E714 T715 V716 R720 L721 Q722	E714-A718 WeakPolarHBondContact O-CB 3.36Å; E714-A718 PolarHBondContact O-N 3.04Å; T715-A718 PolarHBondContact O-N 2.98Å; V716-A718 VanDerWaalsContact C-N 3.34Å; V716-A718 PolarHBondContact O-N 3.21Å; A718-R720 PolarHBondContact O-N 3.34Å; A718-L721 PolarHBondContact O-N 3.32Å; A718-Q722 WeakPolarHBondContact O-CG 3.32Å; A718-Q722 PolarHBondContact O-N 3.29Å
719	E	87.4	Confident	78.4	Confident	118 Å²	118	71.6 Å²	71.6	55%	0.551	38%	0.383	S	S	*	.	H	α-helix	trans	-59.7	-44.5	175.2	-70.4	177.4	174.8	0	0	111.8	T715 V716 L721 Q722 S723	T715-E719 PolarHBondContact O-N 3.44Å; T715-E719 VanDerWaalsContact O-N 3.07Å; V716-E719 PolarHBondContact O-N 2.8Å; E719-L721 VanDerWaalsContact C-N 3.34Å; E719-L721 PolarHBondContact O-N 2.93Å; E719-Q722 WeakPolarHBondContact O-CB 3.47Å; E719-Q722 PolarHBondContact O-N 3.38Å; E719-S723 PolarHBondContact O-N 3.05Å
720	R	87	Confident	76.6	Confident	61 Å²	61	72.6 Å²	72.6	23%	0.23	39%	0.389	C	S	.	.	H	α-helix	trans	-66.3	-33.5	176.6	-72.2	174.2	174.8	-162.4	-3.7	112.9	Y667 E670 I671 V716 A718 S723 L724	Y667-R720 PolarHBondContact O-NH1 2.9Å; Y667-R720 PolarHBondContact O-NH2 2.64Å; Y667-R720 VanDerWaalsContact O-NH2 3.1Å; E670-R720 WeakPolarHBondContact OE1-CD 3.25Å; E670-R720 IonicContact OE1-CZ 3.99Å; E670-R720 IonicContact OE1-NE 2.67Å; E670-R720 IonicContact OE1-NH1 2.89Å; E670-R720 PolarHBondContact OE1-NH1 3.23Å; E670-R720 IonicContact OE2-NH1 2.99Å; E670-R720 PolarHBondContact OE2-NH1 3.03Å; E670-R720 VanDerWaalsContact OE2-NH1 3.14Å; I671-R720 HydrophobicContact CD1-CB 4.15Å; V716-R720 HydrophobicContact CG1-CG 4.41Å; V716-R720 WeakPolarHBondContact O-CB 3.4Å; V716-R720 VanDerWaalsContact O-CG 3.31Å; V716-R720 WeakPolarHBondContact O-CG 3.45Å; V716-R720 PolarHBondContact O-N 2.94Å; A718-R720 PolarHBondContact O-N 3.34Å; R720-S723 PolarHBondContact O-OG 3.24Å; R720-L724 VanDerWaalsContact O-CG 3.29Å; R720-L724 WeakPolarHBondContact O-CG 3.43Å; R720-L724 PolarHBondContact O-N 2.95Å
721	L	85	Confident	74.7	Confident	7 Å²	7	70.7 Å²	70.7	4%	0.037	39%	0.386	C	S	.	.	H	α-helix	trans	-68.3	-38.6	175.1	-160.3	102.6	0	0	0	111.1	I671 V680 A717 A718 E719 L724 R726 I731	I671-L721 HydrophobicContact CG2-CD1 4.09Å; V680-L721 HydrophobicContact CG1-CD1 4.24Å; A717-L721 WeakPolarHBondContact O-CB 3.34Å; A717-L721 PolarHBondContact O-N 3.01Å; A718-L721 PolarHBondContact O-N 3.32Å; E719-L721 VanDerWaalsContact C-N 3.34Å; E719-L721 PolarHBondContact O-N 2.93Å; L721-L724 PolarHBondContact O-N 3.5Å; L721-R726 WeakPolarHBondContact CD2-O 3.46Å; L721-R726 HydrophobicContact CG-CB 4.38Å; L721-R726 WeakPolarHBondContact CG-O 3.14Å; L721-R726 PolarHBondContact O-N 3.32Å; L721-I731 HydrophobicContact CD2-CD1 4.06Å; L721-I731 HydrophobicContact CD2-CG1 4.39Å
722	Q	82.8	Confident	72.3	Confident	147 Å²	147	70.8 Å²	70.8	69%	0.687	38%	0.384	S	S	*	.	H	α-helix	trans	-65.7	-44.5	175.6	-70.5	176.2	19.1	0	0	111.7	A718 E719 L724 G725	A718-Q722 WeakPolarHBondContact O-CG 3.32Å; A718-Q722 PolarHBondContact O-N 3.29Å; E719-Q722 WeakPolarHBondContact O-CB 3.47Å; E719-Q722 PolarHBondContact O-N 3.38Å; Q722-L724 VanDerWaalsContact C-N 3.25Å; Q722-L724 PolarHBondContact O-N 2.82Å; Q722-G725 PolarHBondContact O-N 3.47Å
723	S	80.2	Confident	69.9	Low	93 Å²	93	70.6 Å²	70.6	65%	0.65	39%	0.39	S	S	*	.	H	α-helix	trans	-64.4	-30	178.9	69.8	0	0	0	0	113	E719 R720 G725	E719-S723 PolarHBondContact O-N 3.05Å; R720-S723 PolarHBondContact O-OG 3.24Å; S723-G725 PolarHBondContact O-N 2.9Å
724	L	77.6	Confident	67.6	Low	39 Å²	39	72.1 Å²	72.1	20%	0.204	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	1.5	173.3	-69.1	171.1	0	0	0	113.8	T653 A659 V680 R720 L721 Q722 R726	T653-L724 HydrophobicContact CG2-CD2 4.24Å; A659-L724 HydrophobicContact CB-CD2 3.84Å; V680-L724 HydrophobicContact CG2-CD1 4.12Å; R720-L724 VanDerWaalsContact O-CG 3.29Å; R720-L724 WeakPolarHBondContact O-CG 3.43Å; R720-L724 PolarHBondContact O-N 2.95Å; L721-L724 PolarHBondContact O-N 3.5Å; Q722-L724 VanDerWaalsContact C-N 3.25Å; Q722-L724 PolarHBondContact O-N 2.82Å; L724-R726 PolarHBondContact O-N 3.04Å; L724-R726 VanDerWaalsContact O-N 3.16Å
725	G	68.5	Low	65.2	Low	64 Å²	64	74 Å²	74	66%	0.66	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.6	12.2	178.3	0	0	0	0	0	114.7	Q722 S723 R727	Q722-G725 PolarHBondContact O-N 3.47Å; S723-G725 PolarHBondContact O-N 2.9Å; G725-R727 PolarHBondContact O-N 2.76Å
726	R	64.4	Low	62.6	Low	70 Å²	70	77.8 Å²	77.8	26%	0.264	43%	0.431	S	S	.	.			trans	-91.5	99.8	177.5	-69	-166.2	-174	-165.5	0.7	109.6	E634 V680 L721 L724	E634-R726 IonicContact OE1-CZ 3.35Å; E634-R726 IonicContact OE1-NH1 2.63Å; E634-R726 PolarHBondContact OE1-NH1 3.46Å; E634-R726 IonicContact OE1-NH2 3.18Å; E634-R726 PolarHBondContact OE1-NH2 3.01Å; E634-R726 IonicContact OE2-NH2 2.7Å; E634-R726 PolarHBondContact OE2-NH2 3.31Å; V680-R726 PolarHBondContact O-NH1 3.49Å; V680-R726 PolarHBondContact O-NH2 2.92Å; V680-R726 VanDerWaalsContact O-NH2 3.1Å; L721-R726 WeakPolarHBondContact CD2-O 3.46Å; L721-R726 HydrophobicContact CG-CB 4.38Å; L721-R726 WeakPolarHBondContact CG-O 3.14Å; L721-R726 PolarHBondContact O-N 3.32Å; L724-R726 PolarHBondContact O-N 3.04Å; L724-R726 VanDerWaalsContact O-N 3.16Å
727	R	50.8	Low	60	Low	227 Å²	227	85.3 Å²	85.3	86%	0.857	46%	0.461	S	S	*	.			trans	-59.2	148.7	178.3	-71.7	-175.5	-168.9	136.8	3.5	112.6	G725 S729	G725-R727 PolarHBondContact O-N 2.76Å; R727-S729 PolarHBondContact O-N 3.34Å; R727-S729 PolarHBondContact O-OG 3.48Å
728	A	44	Very low	57.4	Low	52 Å²	52	86.9 Å²	86.9	43%	0.43	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44	7.8	-176.4	0	0	0	0	0	119.9	I730 I731 Q732	A728-I730 PolarHBondContact O-N 2.89Å; A728-I731 PolarHBondContact O-N 2.92Å; A728-I731 VanDerWaalsContact O-N 3.1Å; A728-Q732 PolarHBondContact O-N 3.28Å
729	S	43.1	Very low	55	Low	83 Å²	83	91.2 Å²	91.2	58%	0.58	49%	0.488	S	S	*	.	H	α-helix	trans	-59.6	-29.2	173.1	59.9	0	0	0	0	113.5	R727 A733	R727-S729 PolarHBondContact O-N 3.34Å; R727-S729 PolarHBondContact O-OG 3.48Å; S729-A733 WeakPolarHBondContact O-CB 3.34Å; S729-A733 PolarHBondContact O-N 2.91Å; S729-A733 VanDerWaalsContact O-N 3.12Å
730	I	50.1	Low	52.6	Low	45 Å²	45	93.6 Å²	93.6	23%	0.231	49%	0.492	C	S	.	.	H	α-helix	trans	-71.6	-33.7	176	-60.9	175.3	0	0	0	111.2	A677 V680 A728	A677-I730 HydrophobicContact CB-CG2 3.62Å; V680-I730 HydrophobicContact CG1-CD1 4.32Å; A728-I730 PolarHBondContact O-N 2.89Å
731	I	47.7	Very low	50.1	Low	70 Å²	70	94.6 Å²	94.6	36%	0.359	51%	0.509	S	S	.	.	H	α-helix	trans	-78.9	-35.4	-179.9	-58.8	176.6	0	0	0	110.1	L721 A728 S734 N735	L721-I731 HydrophobicContact CD2-CD1 4.06Å; L721-I731 HydrophobicContact CD2-CG1 4.39Å; A728-I731 PolarHBondContact O-N 2.92Å; A728-I731 VanDerWaalsContact O-N 3.1Å; I731-S734 WeakPolarHBondContact O-CB 3.44Å; I731-S734 PolarHBondContact O-N 3.24Å; I731-N735 PolarHBondContact O-N 3.43Å
732	Q	37.4	Very low	47.8	Very low	107 Å²	107	97.6 Å²	97.6	50%	0.5	53%	0.525	S	S	.	.	H	α-helix	trans	-73.1	-27.4	175.6	-74.1	179.6	-17.9	0	0	114.1	A728 S734 N735 N736	A728-Q732 PolarHBondContact O-N 3.28Å; Q732-S734 VanDerWaalsContact C-N 3.26Å; Q732-S734 PolarHBondContact O-N 3.01Å; Q732-N735 PolarHBondContact O-N 3.46Å; Q732-N736 PolarHBondContact O-N 3.13Å
733	A	36.7	Very low	45.8	Very low	65 Å²	65	97.3 Å²	97.3	54%	0.537	52%	0.518	S	S	.	.	H	α-helix	trans	-68.9	-24.4	173.3	0	0	0	0	0	113	S729	S729-A733 WeakPolarHBondContact O-CB 3.34Å; S729-A733 PolarHBondContact O-N 2.91Å; S729-A733 VanDerWaalsContact O-N 3.12Å
734	S	40.9	Very low	43.9	Very low	39 Å²	39	95.8 Å²	95.8	27%	0.273	51%	0.511	S	S	.	.	H	α-helix	trans	-72	-50.3	169.9	178.5	0	0	0	0	110.4	I731 Q732 N736 K737 T738	I731-S734 WeakPolarHBondContact O-CB 3.44Å; I731-S734 PolarHBondContact O-N 3.24Å; Q732-S734 VanDerWaalsContact C-N 3.26Å; Q732-S734 PolarHBondContact O-N 3.01Å; S734-N736 PolarHBondContact O-N 3.21Å; S734-N736 VanDerWaalsContact O-N 3.15Å; S734-K737 PolarHBondContact O-N 3.46Å; S734-K737 VanDerWaalsContact O-N 3.15Å; S734-T738 WeakPolarHBondContact O-CB 3.05Å; S734-T738 WeakPolarHBondContact O-CG2 3.3Å; S734-T738 PolarHBondContact O-N 2.72Å; S734-T738 VanDerWaalsContact O-N 3.11Å; S734-T738 PolarHBondContact O-OG1 2.92Å
735	N	37.2	Very low	42.1	Very low	119 Å²	119	99.5 Å²	99.5	64%	0.636	53%	0.531	S	S	*	.	H	α-helix	trans	-64	-23.7	-176.6	-75.9	-3.3	0	0	0	114.7	I731 Q732	I731-N735 PolarHBondContact O-N 3.43Å; Q732-N735 PolarHBondContact O-N 3.46Å
736	N	33.7	Very low	40.9	Very low	152 Å²	152	102 Å²	102	81%	0.813	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	2	178.1	-85.2	-10.8	0	0	0	114.9	Q732 S734	Q732-N736 PolarHBondContact O-N 3.13Å; S734-N736 PolarHBondContact O-N 3.21Å; S734-N736 VanDerWaalsContact O-N 3.15Å
737	K	31.5	Very low	39.8	Very low	192 Å²	192	102.6 Å²	102.6	84%	0.835	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.8	10.7	178.7	-104	-179.2	-179	176.9	0	114.6	S734 D739	S734-K737 PolarHBondContact O-N 3.46Å; S734-K737 VanDerWaalsContact O-N 3.15Å; K737-D739 PolarHBondContact O-N 3.14Å
738	T	33.9	Very low	39.4	Very low	42 Å²	42	93.9 Å²	93.9	26%	0.258	51%	0.507	S	S	.	.			trans	-90.7	101.5	173.9	46.5	0	0	0	0	111.5	S734 W740	S734-T738 WeakPolarHBondContact O-CB 3.05Å; S734-T738 WeakPolarHBondContact O-CG2 3.3Å; S734-T738 PolarHBondContact O-N 2.72Å; S734-T738 VanDerWaalsContact O-N 3.11Å; S734-T738 PolarHBondContact O-OG1 2.92Å; T738-W740 HydrophobicContact CG2-CG 4.28Å; T738-W740 PolarHBondContact O-N 3.44Å
739	D	34.9	Very low	39.3	Very low	123 Å²	123	95.2 Å²	95.2	66%	0.658	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	10.7	155.7	-99.2	-21.7	0	0	0	114	K737 S741 D742 Y743	K737-D739 PolarHBondContact O-N 3.14Å; D739-S741 VanDerWaalsContact C-N 3.28Å; D739-S741 PolarHBondContact O-N 2.62Å; D739-D742 PolarHBondContact O-N 3.45Å; D739-D742 VanDerWaalsContact O-N 3.13Å; D739-Y743 WeakPolarHBondContact O-CB 3.43Å; D739-Y743 PolarHBondContact O-N 3.45Å
740	W	36.6	Very low	39.4	Very low	168 Å²	168	96.2 Å²	96.2	64%	0.636	50%	0.502	S	S	*	.	H	α-helix	trans	-66.1	-28.7	176.1	-67.3	125.9	0	0	0	112.3	T738 D742 A744	T738-W740 HydrophobicContact CG2-CG 4.28Å; T738-W740 PolarHBondContact O-N 3.44Å; W740-D742 VanDerWaalsContact C-N 3.34Å; W740-A744 WeakPolarHBondContact O-CB 3.35Å; W740-A744 PolarHBondContact O-N 3.01Å
741	S	34.6	Very low	39.2	Very low	83 Å²	83	97.8 Å²	97.8	58%	0.58	51%	0.514	S	S	*	.	H	α-helix	trans	-67.8	-37	170.8	51.8	0	0	0	0	111.6	D739 L745	D739-S741 VanDerWaalsContact C-N 3.28Å; D739-S741 PolarHBondContact O-N 2.62Å; S741-L745 WeakPolarHBondContact O-CB 3.47Å; S741-L745 WeakPolarHBondContact O-CD1 3.47Å; S741-L745 VanDerWaalsContact O-CG 3.26Å; S741-L745 WeakPolarHBondContact O-CG 3.31Å; S741-L745 PolarHBondContact O-N 3.06Å
742	D	38.2	Very low	39	Very low	69 Å²	69	98.8 Å²	98.8	37%	0.369	52%	0.519	S	S	.	.	H	α-helix	trans	-78.1	-32.3	-180	-143.9	47.1	0	0	0	111.6	D739 W740 K746	D739-D742 PolarHBondContact O-N 3.45Å; D739-D742 VanDerWaalsContact O-N 3.13Å; W740-D742 VanDerWaalsContact C-N 3.34Å; D742-K746 VanDerWaalsContact O-CB 3.25Å; D742-K746 WeakPolarHBondContact O-CB 3.41Å; D742-K746 WeakPolarHBondContact O-CD 3.32Å; D742-K746 WeakPolarHBondContact O-CG 3.46Å; D742-K746 PolarHBondContact O-N 3.38Å; D742-K746 WeakPolarHBondContact OD2-CE 3.35Å; D742-K746 IonicContact OD2-NZ 3.45Å; D742-K746 PolarHBondContact OD2-NZ 3.44Å
743	Y	40.2	Very low	39.2	Very low	142 Å²	142	99.4 Å²	99.4	56%	0.557	52%	0.52	S	S	*	.	H	α-helix	trans	-75.3	-40.2	173.4	-143.6	-87.1	0	0	0	112.1	D739 K746 M747	D739-Y743 WeakPolarHBondContact O-CB 3.43Å; D739-Y743 PolarHBondContact O-N 3.45Å; Y743-K746 PolarHBondContact O-N 3.42Å; Y743-M747 HydrophobicContact CD1-CG 3.97Å; Y743-M747 HydrophobicContact CE1-CE 4.23Å; Y743-M747 HydrophobicContact CE1-CG 4.18Å; Y743-M747 VanDerWaalsContact O-CB 3.3Å; Y743-M747 WeakPolarHBondContact O-CB 3.22Å; Y743-M747 WeakPolarHBondContact O-CG 3.05Å; Y743-M747 PolarHBondContact O-N 2.88Å
744	A	39.6	Very low	39.5	Very low	61 Å²	61	103.1 Å²	103.1	50%	0.504	53%	0.526	S	S	.	.	H	α-helix	trans	-69	-36	172.9	0	0	0	0	0	111.9	W740 A748	W740-A744 WeakPolarHBondContact O-CB 3.35Å; W740-A744 PolarHBondContact O-N 3.01Å; A744-A748 WeakPolarHBondContact O-CB 3.43Å; A744-A748 PolarHBondContact O-N 3.28Å
745	L	41.4	Very low	39.3	Very low	116 Å²	116	106.9 Å²	106.9	61%	0.607	54%	0.539	S	S	*	.	H	α-helix	trans	-68.6	-39.1	171.3	-83.9	160.1	0	0	0	112	S741 D749	S741-L745 WeakPolarHBondContact O-CB 3.47Å; S741-L745 WeakPolarHBondContact O-CD1 3.47Å; S741-L745 VanDerWaalsContact O-CG 3.26Å; S741-L745 WeakPolarHBondContact O-CG 3.31Å; S741-L745 PolarHBondContact O-N 3.06Å; L745-D749 WeakPolarHBondContact O-CB 3.06Å; L745-D749 PolarHBondContact O-N 3.26Å
746	K	42.1	Very low	39.3	Very low	118 Å²	118	107.8 Å²	107.8	51%	0.513	54%	0.539	S	S	.	.	H	α-helix	trans	-67.7	-40.5	174.2	-79.1	168	-172.3	149.6	0	112.6	D742 Y743 D749 E750	D742-K746 VanDerWaalsContact O-CB 3.25Å; D742-K746 WeakPolarHBondContact O-CB 3.41Å; D742-K746 WeakPolarHBondContact O-CD 3.32Å; D742-K746 WeakPolarHBondContact O-CG 3.46Å; D742-K746 PolarHBondContact O-N 3.38Å; D742-K746 WeakPolarHBondContact OD2-CE 3.35Å; D742-K746 IonicContact OD2-NZ 3.45Å; D742-K746 PolarHBondContact OD2-NZ 3.44Å; Y743-K746 PolarHBondContact O-N 3.42Å; K746-D749 PolarHBondContact O-N 2.87Å; K746-E750 WeakPolarHBondContact O-CB 3.09Å; K746-E750 PolarHBondContact O-N 2.89Å
747	M	41.5	Very low	39.4	Very low	82 Å²	82	107 Å²	107	40%	0.404	54%	0.535	S	S	.	.	H	α-helix	trans	-68.8	-39.6	174.6	-72.2	-72.7	113	0	0	111.5	Y743 E750 V751	Y743-M747 HydrophobicContact CD1-CG 3.97Å; Y743-M747 HydrophobicContact CE1-CE 4.23Å; Y743-M747 HydrophobicContact CE1-CG 4.18Å; Y743-M747 VanDerWaalsContact O-CB 3.3Å; Y743-M747 WeakPolarHBondContact O-CB 3.22Å; Y743-M747 WeakPolarHBondContact O-CG 3.05Å; Y743-M747 PolarHBondContact O-N 2.88Å; M747-E750 WeakPolarHBondContact CE-OE2 3.48Å; M747-E750 PolarHBondContact O-N 3.48Å; M747-V751 WeakPolarHBondContact O-CB 3.33Å; M747-V751 WeakPolarHBondContact O-CG2 3.31Å; M747-V751 PolarHBondContact O-N 2.89Å
748	A	42.4	Very low	39.4	Very low	44 Å²	44	101.9 Å²	101.9	36%	0.364	52%	0.523	S	S	.	.	H	α-helix	trans	-65.9	-39.6	172.8	0	0	0	0	0	111.6	A744 V751 I752	A744-A748 WeakPolarHBondContact O-CB 3.43Å; A744-A748 PolarHBondContact O-N 3.28Å; A748-V751 PolarHBondContact O-N 3.07Å; A748-I752 WeakPolarHBondContact O-CB 3.45Å; A748-I752 WeakPolarHBondContact O-CD1 3.41Å; A748-I752 WeakPolarHBondContact O-CG1 3.24Å; A748-I752 PolarHBondContact O-N 3.32Å
749	D	43	Very low	39.2	Very low	80 Å²	80	106.3 Å²	106.3	43%	0.428	55%	0.545	S	S	.	.	H	α-helix	trans	-71.9	-31.9	177.2	-159.4	54.6	0	0	0	112.1	L745 K746 K753	L745-D749 WeakPolarHBondContact O-CB 3.06Å; L745-D749 PolarHBondContact O-N 3.26Å; K746-D749 PolarHBondContact O-N 2.87Å; D749-K753 VanDerWaalsContact O-CB 3.22Å; D749-K753 WeakPolarHBondContact O-CB 3.16Å; D749-K753 WeakPolarHBondContact O-CD 3.29Å; D749-K753 WeakPolarHBondContact O-CG 3.33Å; D749-K753 PolarHBondContact O-N 3.39Å; D749-K753 WeakPolarHBondContact OD2-CE 3.14Å; D749-K753 IonicContact OD2-NZ 4Å; D749-K753 PolarHBondContact OD2-NZ 3.44Å
750	E	44.1	Very low	38.8	Very low	104 Å²	104	110.4 Å²	110.4	49%	0.486	55%	0.553	S	S	.	*	H	α-helix	trans	-71.2	-41.6	170.3	-89.7	-172.7	154.9	0	0	112.5	K746 M747 K753 H754	K746-E750 WeakPolarHBondContact O-CB 3.09Å; K746-E750 PolarHBondContact O-N 2.89Å; M747-E750 WeakPolarHBondContact CE-OE2 3.48Å; M747-E750 PolarHBondContact O-N 3.48Å; E750-K753 PolarHBondContact O-N 3.43Å; E750-H754 WeakPolarHBondContact O-CB 3.37Å; E750-H754 PolarHBondContact O-CD2 3.46Å; E750-H754 PolarHBondContact O-N 2.99Å
751	V	45.1	Very low	38.4	Very low	78 Å²	78	107.5 Å²	107.5	47%	0.473	56%	0.558	S	S	.	*	H	α-helix	trans	-67.6	-39.3	175.6	171	0	0	0	0	110.7	M747 A748 H754 Q755	M747-V751 WeakPolarHBondContact O-CB 3.33Å; M747-V751 WeakPolarHBondContact O-CG2 3.31Å; M747-V751 PolarHBondContact O-N 2.89Å; A748-V751 PolarHBondContact O-N 3.07Å; V751-H754 PolarHBondContact O-N 2.95Å; V751-Q755 WeakPolarHBondContact O-CB 3.4Å; V751-Q755 WeakPolarHBondContact O-CG 3.44Å; V751-Q755 PolarHBondContact O-N 3.35Å
752	I	43.5	Very low	38.2	Very low	91 Å²	91	110.2 Å²	110.2	47%	0.467	57%	0.572	S	S	.	*	H	α-helix	trans	-67.5	-40.6	173.9	-69.4	165.7	0	0	0	110.4	A748 Q755 H756	A748-I752 WeakPolarHBondContact O-CB 3.45Å; A748-I752 WeakPolarHBondContact O-CD1 3.41Å; A748-I752 WeakPolarHBondContact O-CG1 3.24Å; A748-I752 PolarHBondContact O-N 3.32Å; I752-Q755 PolarHBondContact O-N 3.27Å; I752-H756 WeakPolarHBondContact O-CB 3.07Å; I752-H756 PolarHBondContact O-N 3.01Å
753	K	43.4	Very low	37.7	Very low	120 Å²	120	116.2 Å²	116.2	52%	0.522	60%	0.595	S	S	.	*	H	α-helix	trans	-65.3	-37.2	173.1	-82.8	167.1	177	150.1	0	112.9	D749 E750 N757	D749-K753 VanDerWaalsContact O-CB 3.22Å; D749-K753 WeakPolarHBondContact O-CB 3.16Å; D749-K753 WeakPolarHBondContact O-CD 3.29Å; D749-K753 WeakPolarHBondContact O-CG 3.33Å; D749-K753 PolarHBondContact O-N 3.39Å; D749-K753 WeakPolarHBondContact OD2-CE 3.14Å; D749-K753 IonicContact OD2-NZ 4Å; D749-K753 PolarHBondContact OD2-NZ 3.44Å; E750-K753 PolarHBondContact O-N 3.43Å; K753-N757 WeakPolarHBondContact O-CB 3.45Å; K753-N757 PolarHBondContact O-N 3.45Å; K753-N757 VanDerWaalsContact O-N 3.14Å
754	H	41.9	Very low	37.3	Very low	143 Å²	143	115.8 Å²	115.8	66%	0.662	60%	0.602	S	S	*	*	H	α-helix	trans	-73.5	-33.2	176.1	-90.3	-72.8	0	0	0	112.7	E750 V751 S758	E750-H754 WeakPolarHBondContact O-CB 3.37Å; E750-H754 PolarHBondContact O-CD2 3.46Å; E750-H754 PolarHBondContact O-N 2.99Å; V751-H754 PolarHBondContact O-N 2.95Å; H754-S758 PolarHBondContact O-N 3.13Å; H754-S758 PolarHBondContact O-OG 3.21Å
755	Q	36.5	Very low	36.8	Very low	118 Å²	118	119.4 Å²	119.4	55%	0.551	61%	0.613	S	S	*	*	H	α-helix	trans	-76.6	-27	172.7	-78.3	174.7	-35	0	0	113.1	V751 I752 S758 N759	V751-Q755 WeakPolarHBondContact O-CB 3.4Å; V751-Q755 WeakPolarHBondContact O-CG 3.44Å; V751-Q755 PolarHBondContact O-N 3.35Å; I752-Q755 PolarHBondContact O-N 3.27Å; Q755-S758 PolarHBondContact O-OG 3.01Å; Q755-N759 PolarHBondContact O-ND2 3.31Å
756	H	37.1	Very low	36.3	Very low	137 Å²	137	125.2 Å²	125.2	63%	0.634	63%	0.628	S	S	*	*	H	α-helix	trans	-79.9	-22.9	174.7	-121.8	-67.2	0	0	0	113.6	I752	I752-H756 WeakPolarHBondContact O-CB 3.07Å; I752-H756 PolarHBondContact O-N 3.01Å
757	N	35.9	Very low	35.7	Very low	137 Å²	137	125.3 Å²	125.3	73%	0.733	64%	0.642	S	S	*	*	H	α-helix	trans	-92.6	-9.1	176.3	-85.3	-17.4	0	0	0	114.4	K753	K753-N757 WeakPolarHBondContact O-CB 3.45Å; K753-N757 PolarHBondContact O-N 3.45Å; K753-N757 VanDerWaalsContact O-N 3.14Å
758	S	32.5	Very low	35.2	Very low	83 Å²	83	125 Å²	125	58%	0.58	66%	0.661	S	S	*	*	S	Bend	trans	-94.6	-0.6	175.4	62.8	0	0	0	0	114.5	H754 Q755	H754-S758 PolarHBondContact O-N 3.13Å; H754-S758 PolarHBondContact O-OG 3.21Å; Q755-S758 PolarHBondContact O-OG 3.01Å
759	N	29.4	Very low	34.4	Very low	136 Å²	136	132.7 Å²	132.7	73%	0.727	69%	0.686	S	S	*	*	S	Bend	trans	-105.7	19.3	-177.6	-75	-17.9	0	0	0	114.5	Q755	Q755-N759 PolarHBondContact O-ND2 3.31Å
760	Y	27	Very low	33.9	Very low	208 Å²	208	133.7 Å²	133.7	82%	0.816	71%	0.705	S	S	*	*	S	Bend	trans	-113.7	70.7	170.8	-88.3	-85.1	0	0	0	110.9
761	S	27.3	Very low	33	Very low	107 Å²	107	138 Å²	138	75%	0.748	73%	0.726	S	S	*	*	S	Bend	trans	177.6	79.3	156.6	169.4	0	0	0	0	110.5
762	T	30	Very low	32.3	Very low	141 Å²	141	142.6 Å²	142.6	87%	0.865	75%	0.746	S	S	*	*			trans	-172.9	88.1	143.6	39	0	0	0	0	107.7
763	K	27.2	Very low	31.7	Very low	195 Å²	195	147 Å²	147	85%	0.848	76%	0.762	S	S	*	*			trans	-72	121.4	155.1	-80.6	178.8	171.9	174.8	0	106.5
764	D	32.4	Very low	31.1	Very low	133 Å²	133	148.1 Å²	148.1	71%	0.711	77%	0.773	S	S	*	*				165.5	115.1	121	-77.9	-22.8	0	0	0	111.4
765	N	28.5	Very low	30.7	Very low	136 Å²	136	149.2 Å²	149.2	73%	0.727	78%	0.778	S	S	*	*			trans	53	105.3	141.2	-57	-29.6	0	0	0	119
766	Y	32.5	Very low	30.6	Very low	239 Å²	239	147.2 Å²	147.2	94%	0.937	78%	0.778	S	S	*	*				-170	139.8	103.2	-111.8	-91.1	0	0	0	110.6
767	C	27.5	Very low	30.5	Very low	119 Å²	119	145.2 Å²	145.2	80%	0.804	77%	0.772	S	S	*	*			trans	-92.6	144	-166.4	177.1	0	0	0	0	112.8
768	G	32.2	Very low	30.5	Very low	77 Å²	77	146.9 Å²	146.9	79%	0.794	77%	0.772	S	S	*	*			trans	-176.8	92.8	168.2	0	0	0	0	0	113
769	K	26.4	Very low	30.6	Very low	204 Å²	204	146.7 Å²	146.7	89%	0.887	77%	0.771	S	S	*	*			trans	-57.1	141.3	-174.7	-67	165.7	172.4	173.9	0	115.5
770	A	30.7	Very low	31	Very low	102 Å²	102	144.7 Å²	144.7	84%	0.843	76%	0.759	S	S	*	*			trans	-162.4	118.1	132.1	0	0	0	0	0	111.4
771	Q	26.2	Very low	31.5	Very low	195 Å²	195	139.8 Å²	139.8	91%	0.911	75%	0.746	S	S	*	*			trans	-84.9	132.7	174.6	-71.4	167.2	-72.1	0	0	110.7
772	I	31.1	Very low	32	Very low	174 Å²	174	141.8 Å²	141.8	89%	0.892	74%	0.743	S	S	*	*			trans	-136	136.2	152.5	-61.1	-176.4	0	0	0	109.6
773	K	30.7	Very low	32.1	Very low	184 Å²	184	142.2 Å²	142.2	80%	0.8	73%	0.734	S	S	*	*			trans	-73.6	140.1	-159.8	-72.7	166.1	166.7	177.2	0	115.1
774	N	30.5	Very low	32.5	Very low	143 Å²	143	138.1 Å²	138.1	77%	0.765	72%	0.721	S	S	*	*			trans	-82.6	97	167.5	-89.6	-29.6	0	0	0	111.4
775	E	34	Very low	32.6	Very low	165 Å²	165	139.6 Å²	139.6	77%	0.771	72%	0.721	S	S	*	*			trans	-131.9	-12.6	166.7	-90.5	177.4	166.8	0	0	113.8
776	S	34	Very low	32.9	Very low	77 Å²	77	136.5 Å²	136.5	54%	0.538	71%	0.71	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.3	-18.4	-178	36.7	0	0	0	0	115	S779	S776-S779 PolarHBondContact O-OG 3.41Å
777	N	35.3	Very low	33	Very low	95 Å²	95	131.4 Å²	131.4	51%	0.508	70%	0.698	S	S	.	*	H	α-helix	trans	-86	-13.6	-173.9	-74.4	-18.5	0	0	0	114.7	I781	N777-I781 WeakPolarHBondContact O-CD1 3.26Å; N777-I781 VanDerWaalsContact O-CG1 3.27Å; N777-I781 WeakPolarHBondContact O-CG1 3.18Å
778	K	35	Very low	33.3	Very low	172 Å²	172	130 Å²	130	75%	0.748	70%	0.695	S	S	*	*	H	α-helix	trans	-83.7	-29	179.8	-80.8	-177.1	176.5	178	0	113.8	Q782	K778-Q782 PolarHBondContact O-N 3.09Å
779	S	34.7	Very low	33.3	Very low	78 Å²	78	131 Å²	131	55%	0.545	69%	0.69	S	S	.	*	H	α-helix	trans	-77.6	-29	178.9	57.7	0	0	0	0	113.2	S776 K783	S776-S779 PolarHBondContact O-OG 3.41Å; S779-K783 PolarHBondContact O-N 3.42Å
780	I	37.1	Very low	33.5	Very low	95 Å²	95	129.1 Å²	129.1	49%	0.487	69%	0.686	S	S	.	*	H	α-helix	trans	-71.8	-36.8	176.9	-61.9	171.8	0	0	0	110.8	Q782 N784	I780-Q782 PolarHBondContact O-N 2.83Å; I780-N784 VanDerWaalsContact O-CG 3.31Å; I780-N784 PolarHBondContact O-N 3.23Å; I780-N784 PolarHBondContact O-ND2 3.31Å
781	I	38.7	Very low	33.8	Very low	104 Å²	104	130.3 Å²	130.3	53%	0.533	68%	0.679	S	S	.	*	H	α-helix	trans	-72.4	-29.2	180	-64.6	170.9	0	0	0	112	N777	N777-I781 WeakPolarHBondContact O-CD1 3.26Å; N777-I781 VanDerWaalsContact O-CG1 3.27Å; N777-I781 WeakPolarHBondContact O-CG1 3.18Å
782	Q	36.9	Very low	34.2	Very low	149 Å²	149	128.8 Å²	128.8	70%	0.696	67%	0.669	S	S	*	*	H	α-helix	trans	-80.4	-33	176.9	-119.5	164.2	-17.3	0	0	112.6	K778 I780 K785	K778-Q782 PolarHBondContact O-N 3.09Å; I780-Q782 PolarHBondContact O-N 2.83Å; Q782-K785 PolarHBondContact O-N 3.27Å
783	K	32.9	Very low	34.4	Very low	151 Å²	151	125.1 Å²	125.1	66%	0.657	66%	0.655	S	S	*	*	H	α-helix	trans	-71	-32.1	176.3	-145.8	171.8	-173.6	-179.9	0	112.4	S779 K785 S786 L787	S779-K783 PolarHBondContact O-N 3.42Å; K783-K785 VanDerWaalsContact C-N 3.34Å; K783-S786 PolarHBondContact O-OG 3.17Å; K783-S786 VanDerWaalsContact O-OG 3.12Å; K783-L787 WeakPolarHBondContact O-CD1 3.36Å
784	N	35.9	Very low	34.7	Very low	108 Å²	108	122.1 Å²	122.1	58%	0.578	65%	0.648	S	S	*	*	H	α-helix	trans	-77.1	-16.8	177	-70.1	-13.1	0	0	0	113.7	I780	I780-N784 VanDerWaalsContact O-CG 3.31Å; I780-N784 PolarHBondContact O-N 3.23Å; I780-N784 PolarHBondContact O-ND2 3.31Å
785	K	33.5	Very low	34.9	Very low	164 Å²	164	118.4 Å²	118.4	71%	0.713	64%	0.637	S	S	*	*	H	α-helix	trans	-84.2	-22.1	174.9	-86.3	-177.2	173.5	-177.9	0	114	Q782 K783	Q782-K785 PolarHBondContact O-N 3.27Å; K783-K785 VanDerWaalsContact C-N 3.34Å
786	S	34.8	Very low	34.9	Very low	71 Å²	71	116.4 Å²	116.4	50%	0.497	63%	0.631	S	S	.	*	H	α-helix	trans	-89.3	-15.8	177.1	58.5	0	0	0	0	114.1	K783	K783-S786 PolarHBondContact O-OG 3.17Å; K783-S786 VanDerWaalsContact O-OG 3.12Å
787	L	34.7	Very low	35	Very low	132 Å²	132	119.6 Å²	119.6	69%	0.691	64%	0.641	S	S	*	*	S	Bend	trans	-84.5	-13.9	174.3	-95.3	112.2	0	0	0	113.5	K783 S789	K783-L787 WeakPolarHBondContact O-CD1 3.36Å; L787-S789 VanDerWaalsContact C-N 3.27Å; L787-S789 PolarHBondContact O-N 3.4Å
788	A	33.4	Very low	34.9	Very low	90 Å²	90	123.6 Å²	123.6	74%	0.744	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	5.6	-176.8	0	0	0	0	0	114.1
789	S	32.5	Very low	34.9	Very low	98 Å²	98	121.1 Å²	121.1	69%	0.685	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.8	22.5	-173.2	67.2	0	0	0	0	114.7	L787	L787-S789 VanDerWaalsContact C-N 3.27Å; L787-S789 PolarHBondContact O-N 3.4Å
790	M	31.5	Very low	34.6	Very low	164 Å²	164	120.2 Å²	120.2	81%	0.808	66%	0.659	S	S	*	*	S	Bend	trans	-117.7	130	178.3	-73.9	-177.6	85.3	0	0	112.1
791	D	35.9	Very low	34.1	Very low	128 Å²	128	123.3 Å²	123.3	68%	0.684	68%	0.676	S	S	*	*			trans	-61.7	128.5	-178.4	-83.1	-44.2	0	0	0	112.4	T793 D794	D791-T793 PolarHBondContact O-N 3.21Å; D791-D794 PolarHBondContact O-N 3.41Å
792	F	35.8	Very low	33.6	Very low	163 Å²	163	128 Å²	128	72%	0.715	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.7	-7.1	-173.1	-152	-97.6	0	0	0	114.2	L796	F792-L796 HydrophobicContact CE1-CD1 4.41Å
793	T	35.2	Very low	33.2	Very low	97 Å²	97	128.3 Å²	128.3	60%	0.595	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	-19.9	178.4	33.6	0	0	0	0	114	D791	D791-T793 PolarHBondContact O-N 3.21Å
794	D	36.8	Very low	32.9	Very low	121 Å²	121	130.5 Å²	130.5	65%	0.647	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.8	-18.1	-178.8	-71.5	-19.9	0	0	0	113.4	D791 L796	D791-D794 PolarHBondContact O-N 3.41Å; D794-L796 VanDerWaalsContact C-N 3.33Å; D794-L796 PolarHBondContact O-N 3.4Å
795	A	34.1	Very low	32.5	Very low	65 Å²	65	132.5 Å²	132.5	54%	0.537	72%	0.724	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78	-14	177.4	0	0	0	0	0	114.4
796	L	35.1	Very low	32.3	Very low	123 Å²	123	129.7 Å²	129.7	64%	0.644	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.3	-8	-180	-98.6	155.9	0	0	0	113.7	F792 D794	F792-L796 HydrophobicContact CE1-CD1 4.41Å; D794-L796 VanDerWaalsContact C-N 3.33Å; D794-L796 PolarHBondContact O-N 3.4Å
797	L	35.9	Very low	32	Very low	143 Å²	143	133.8 Å²	133.8	75%	0.749	74%	0.741	S	S	*	*	S	Bend	trans	-95.5	-11.2	178.2	-110.6	142.7	0	0	0	113.3
798	E	33.7	Very low	31.8	Very low	179 Å²	179	132.8 Å²	132.8	84%	0.836	74%	0.743	S	S	*	*	S	Bend	trans	-100.2	-11.3	-178.3	-112.4	-176.5	169	0	0	114.9
799	T	33.8	Very low	31.5	Very low	121 Å²	121	134.1 Å²	134.1	74%	0.742	74%	0.741	S	S	*	*	S	Bend	trans	-98.6	-1.1	178.1	50.3	0	0	0	0	113.8
800	G	28.3	Very low	31.2	Very low	58 Å²	58	136.2 Å²	136.2	60%	0.598	74%	0.743	S	S	*	*			trans	-104.5	59.6	-179.3	0	0	0	0	0	113.7
801	L	27.5	Very low	30.9	Very low	161 Å²	161	133.9 Å²	133.9	84%	0.843	74%	0.738	S	S	*	*			trans	-168.1	83.4	166.9	-104.8	151.3	0	0	0	111
802	K	26.7	Very low	30.4	Very low	203 Å²	203	135.9 Å²	135.9	88%	0.883	74%	0.743	S	S	*	*			trans	159.6	88.4	145.2	-89.1	166.6	-176.4	-179.1	0	111.4
803	T	30.5	Very low	29.8	Very low	154 Å²	154	132.4 Å²	132.4	95%	0.945	74%	0.739	S	S	*	*			trans	-163.6	93.8	132.2	27.5	0	0	0	0	107.9
804	K	26	Very low	29.5	Very low	197 Å²	197	133.2 Å²	133.2	86%	0.857	74%	0.744	S	S	*	*			trans	-81.9	147.1	172.8	-116.9	-178.7	-179.4	-179.4	0	108.7
805	L	26.5	Very low	29	Very low	151 Å²	151	135.3 Å²	135.3	79%	0.791	75%	0.75	S	S	*	*			trans	100.2	129.6	146.7	-97.7	82.1	0	0	0	121
806	S	29.1	Very low	28.6	Very low	105 Å²	105	138.3 Å²	138.3	73%	0.734	76%	0.757	S	S	*	*			trans	80.3	123.6	163.1	71.1	0	0	0	0	116.4
807	N	29.2	Very low	28.2	Very low	156 Å²	156	138.9 Å²	138.9	83%	0.834	76%	0.76	S	S	*	*			cis	-156.9	160.2	8.1	-96.7	-19.8	0	0	0	110.1
808	P	30.2	Very low	27.9	Very low	112 Å²	112	137.5 Å²	137.5	73%	0.727	75%	0.753	S	S	*	*			trans	-93.3	-165.4	-178.6	37.7	-29.9	0	0	0	112.2
809	V	28	Very low	27.7	Very low	118 Å²	118	135.3 Å²	135.3	72%	0.715	75%	0.745	S	S	*	*			trans	111.5	100.1	162.5	-174	0	0	0	0	112.6
810	I	25.1	Very low	27.5	Very low	142 Å²	142	137 Å²	137	73%	0.728	75%	0.745	S	S	*	*				77.1	107.9	74.7	-64.5	166.4	0	0	0	112.9
811	V	25.1	Very low	27.6	Very low	114 Å²	114	139.1 Å²	139.1	69%	0.691	74%	0.742	S	S	*	*				50.8	139.9	126.1	-172.4	0	0	0	0	120.9
812	Q	25.2	Very low	27.8	Very low	170 Å²	170	138.7 Å²	138.7	79%	0.794	74%	0.736	S	S	*	*			trans	88.8	112.1	150.2	-91.9	160.2	-8.6	0	0	120.8
813	S	24.8	Very low	28	Very low	91 Å²	91	137 Å²	137	64%	0.636	74%	0.737	S	S	*	*				34.9	144.3	125.2	57.6	0	0	0	0	122.3
814	T	27.3	Very low	27.9	Very low	114 Å²	114	137.4 Å²	137.4	70%	0.699	73%	0.733	S	S	*	*			trans	83.4	113	148.6	39.3	0	0	0	0	119.9
815	E	26.6	Very low	28	Very low	164 Å²	164	136.2 Å²	136.2	77%	0.766	73%	0.73	S	S	*	*				81.1	114.9	124.9	-74.6	-176.1	160.4	0	0	121.6
816	L	26.2	Very low	28.1	Very low	129 Å²	129	138.1 Å²	138.1	68%	0.675	73%	0.732	S	S	*	*				88.6	128.7	120.7	-74	173.4	0	0	0	120.8
817	L	27.8	Very low	28.1	Very low	135 Å²	135	141.1 Å²	141.1	71%	0.707	74%	0.74	S	S	*	*			trans	74.6	132.9	148.8	-60.2	153.2	0	0	0	114.4
818	N	28.8	Very low	28	Very low	114 Å²	114	143.7 Å²	143.7	61%	0.61	74%	0.744	S	S	*	*			cis	-175.5	149.2	18.7	-125.2	-11.3	0	0	0	108.7
819	I	29.7	Very low	27.8	Very low	132 Å²	132	147.3 Å²	147.3	68%	0.677	75%	0.751	S	S	*	*			trans	64.8	131.6	133.8	-62.9	165.9	0	0	0	116.5
820	H	29.9	Very low	28	Very low	158 Å²	158	149.9 Å²	149.9	73%	0.731	76%	0.759	S	S	*	*			cis	-169.4	152.4	15.2	-128.2	13.8	0	0	0	101.7
821	N	30.4	Very low	28	Very low	101 Å²	101	154.5 Å²	154.5	54%	0.54	77%	0.767	S	S	.	*				178.1	142.2	53.8	-133.3	-8.1	0	0	0	108.9
822	Q	30	Very low	28.1	Very low	152 Å²	152	157.3 Å²	157.3	71%	0.71	78%	0.778	S	S	*	*			trans	68.7	93.2	143.4	-70.8	167.3	-8.4	0	0	120
823	N	32.8	Very low	28.3	Very low	168 Å²	168	156.1 Å²	156.1	90%	0.898	77%	0.772	S	S	*	*				-168.4	97.7	105.2	-88.1	-21.4	0	0	0	110.1
824	D	27.2	Very low	28.4	Very low	162 Å²	162	160.8 Å²	160.8	87%	0.866	79%	0.786	S	S	*	*			trans	-78.4	124.4	172.6	-80.3	-47.1	0	0	0	111.1
825	H	27.7	Very low	28.5	Very low	173 Å²	173	162.7 Å²	162.7	80%	0.801	79%	0.787	S	S	*	*				159.2	135.5	129.9	-114.9	-85.2	0	0	0	109
826	F	29.2	Very low	28.6	Very low	190 Å²	190	161.8 Å²	161.8	83%	0.833	78%	0.783	S	S	*	*	S	Bend	trans	88	70.4	179.3	-69.2	-89.7	0	0	0	117
827	D	29.8	Very low	28.7	Very low	168 Å²	168	160.9 Å²	160.9	90%	0.898	78%	0.784	S	S	*	*			trans	-164.9	75.5	144	-103	-22.9	0	0	0	110.6
828	K	25.8	Very low	28.7	Very low	211 Å²	211	160.8 Å²	160.8	92%	0.917	78%	0.783	S	S	*	*			trans	-147.9	60.9	170.6	-93	-169.4	179	173.7	0	110.2
829	E	27.2	Very low	28.7	Very low	187 Å²	187	162 Å²	162	87%	0.874	79%	0.788	S	S	*	*			trans	-162.2	38.2	170.6	-132.1	168.5	-165.3	0	0	117.2
830	I	30.7	Very low	28.5	Very low	172 Å²	172	160.6 Å²	160.6	88%	0.882	79%	0.786	S	S	*	*			trans	-140	61.2	166.8	-48.2	178.4	0	0	0	111.4
831	R	26.5	Very low	28.5	Very low	239 Å²	239	157.8 Å²	157.8	90%	0.902	78%	0.78	S	S	*	*	S	Bend	trans	-147.1	82.8	158	-89.8	-167.4	-179.8	-171	1.3	107.3
832	L	26.8	Very low	28.4	Very low	174 Å²	174	157.9 Å²	157.9	91%	0.911	78%	0.784	S	S	*	*			trans	172.8	157.5	157.2	-93.6	146.6	0	0	0	107.9
833	E	28.4	Very low	28.3	Very low	145 Å²	145	158.8 Å²	158.8	68%	0.678	79%	0.788	S	S	*	*			trans	91.1	48.4	-177.1	-47.7	-129.8	142.1	0	0	117.2	H835	E833-H835 PolarHBondContact O-N 3.23Å; E833-H835 VanDerWaalsContact O-N 3.14Å; E833-H835 IonicContact OE1-CE1 2.75Å; E833-H835 IonicContact OE2-CD2 2.71Å; E833-H835 IonicContact OE2-CE1 3.75Å; E833-H835 IonicContact OE2-NE2 3.59Å; E833-H835 PolarHBondContact OE2-NE2 3.4Å
834	M	28.1	Very low	28.2	Very low	188 Å²	188	156.5 Å²	156.5	93%	0.926	78%	0.775	S	S	*	*				-62.3	96.4	127.4	-84.5	-171.7	169.5	0	0	107.5	Q836	M834-Q836 PolarHBondContact O-N 3.24Å
835	H	29	Very low	28.3	Very low	154 Å²	154	157.8 Å²	157.8	71%	0.713	78%	0.775	S	S	*	*			trans	-62.1	89.7	165.1	-94.1	-52.1	0	0	0	109.5	E833	E833-H835 PolarHBondContact O-N 3.23Å; E833-H835 VanDerWaalsContact O-N 3.14Å; E833-H835 IonicContact OE1-CE1 2.75Å; E833-H835 IonicContact OE2-CD2 2.71Å; E833-H835 IonicContact OE2-CE1 3.75Å; E833-H835 IonicContact OE2-NE2 3.59Å; E833-H835 PolarHBondContact OE2-NE2 3.4Å
836	Q	28.4	Very low	28.5	Very low	146 Å²	146	156.3 Å²	156.3	68%	0.682	77%	0.772	S	S	*	*			trans	-60.8	131.2	144.1	-71.1	-177.1	-23.7	0	0	107.5	M834 I838	M834-Q836 PolarHBondContact O-N 3.24Å; Q836-I838 VanDerWaalsContact C-N 3.31Å; Q836-I838 PolarHBondContact O-N 3.36Å; Q836-I838 VanDerWaalsContact O-N 3.1Å
837	P	29.1	Very low	28.5	Very low	110 Å²	110	152.7 Å²	152.7	71%	0.714	77%	0.768	S	S	*	*			trans	-70.1	103.8	149.3	29.6	-23.8	0	0	0	105.3	I839	P837-I839 PolarHBondContact O-N 3.4Å
838	I	26.9	Very low	28.5	Very low	133 Å²	133	152.2 Å²	152.2	68%	0.682	77%	0.765	S	S	*	*			trans	-59.6	92.4	159.9	-63.9	170.2	0	0	0	105.7	Q836 T840	Q836-I838 VanDerWaalsContact C-N 3.31Å; Q836-I838 PolarHBondContact O-N 3.36Å; Q836-I838 VanDerWaalsContact O-N 3.1Å; I838-T840 VanDerWaalsContact CG2-OG1 3.28Å; I838-T840 WeakPolarHBondContact CG2-OG1 3.47Å
839	I	29.5	Very low	28.8	Very low	139 Å²	139	150.5 Å²	150.5	71%	0.713	76%	0.761	S	S	*	*			trans	-96	97.7	146.5	-65.6	170.8	0	0	0	103.8	P837 T841	P837-I839 PolarHBondContact O-N 3.4Å; I839-T841 VanDerWaalsContact C-N 3.27Å; I839-T841 PolarHBondContact O-N 3.48Å
840	T	26.1	Very low	28.9	Very low	103 Å²	103	150.9 Å²	150.9	63%	0.632	76%	0.76	S	S	*	*			trans	-56.2	93.4	162.4	-44.6	0	0	0	0	107.6	I838 T842	I838-T840 VanDerWaalsContact CG2-OG1 3.28Å; I838-T840 WeakPolarHBondContact CG2-OG1 3.47Å; T840-T842 HydrophobicContact CG2-CG2 4.12Å
841	T	28.3	Very low	28.8	Very low	98 Å²	98	151.2 Å²	151.2	60%	0.601	76%	0.758	S	S	*	*			trans	-103.8	86.4	153.7	-37.9	0	0	0	0	105.4	I839 H843	I839-T841 VanDerWaalsContact C-N 3.27Å; I839-T841 PolarHBondContact O-N 3.48Å; T841-H843 PolarHBondContact O-N 3.48Å
842	T	27.9	Very low	29	Very low	104 Å²	104	144.8 Å²	144.8	64%	0.638	75%	0.749	S	S	*	*			trans	-63.1	83.5	164.1	26.1	0	0	0	0	108.2	T840 I844	T840-T842 HydrophobicContact CG2-CG2 4.12Å; T842-I844 HydrophobicContact CG2-CD1 4.34Å; T842-I844 HydrophobicContact CG2-CG1 4.42Å; T842-I844 PolarHBondContact O-N 3.35Å; T842-I844 VanDerWaalsContact O-N 3.09Å
843	H	29.5	Very low	29.3	Very low	171 Å²	171	141.7 Å²	141.7	79%	0.792	74%	0.742	S	S	*	*			trans	-74.4	79.8	152.1	-85.7	-77.4	0	0	0	107	T841 H845	T841-H843 PolarHBondContact O-N 3.48Å; H843-H845 PolarHBondContact O-N 3.32Å
844	I	30.4	Very low	29.5	Very low	120 Å²	120	142.1 Å²	142.1	62%	0.615	75%	0.747	S	S	*	*			trans	-78.2	103	161.9	-68.6	171.4	0	0	0	105.7	T842 L846	T842-I844 HydrophobicContact CG2-CD1 4.34Å; T842-I844 HydrophobicContact CG2-CG1 4.42Å; T842-I844 PolarHBondContact O-N 3.35Å; T842-I844 VanDerWaalsContact O-N 3.09Å; I844-L846 HydrophobicContact CG2-CB 4.41Å; I844-L846 HydrophobicContact CG2-CD1 3.73Å; I844-L846 HydrophobicContact CG2-CG 3.64Å; I844-L846 PolarHBondContact O-N 3.46Å; I844-L846 VanDerWaalsContact O-N 3.16Å
845	H	29	Very low	29.6	Very low	188 Å²	188	139 Å²	139	87%	0.87	74%	0.74	S	S	*	*			trans	-58.4	105.9	153.2	-106	-74.3	0	0	0	107.2	H843	H843-H845 PolarHBondContact O-N 3.32Å
846	L	31.3	Very low	29.8	Very low	142 Å²	142	139.3 Å²	139.3	74%	0.743	75%	0.746	S	S	*	*			trans	-110.2	138.7	157.7	-87.9	159.6	0	0	0	107.8	I844	I844-L846 HydrophobicContact CG2-CB 4.41Å; I844-L846 HydrophobicContact CG2-CD1 3.73Å; I844-L846 HydrophobicContact CG2-CG 3.64Å; I844-L846 PolarHBondContact O-N 3.46Å; I844-L846 VanDerWaalsContact O-N 3.16Å
847	P	30.7	Very low	30.1	Very low	114 Å²	114	140.9 Å²	140.9	74%	0.74	78%	0.784	S	S	*	*			trans	-76.8	155.2	-170.4	33.2	-33.6	0	0	0	111.6	E849	P847-E849 PolarHBondContact O-N 3.45Å
848	N	29.2	Very low	30.2	Very low	158 Å²	158	142.5 Å²	142.5	85%	0.845	79%	0.788	S	S	*	*			trans	-32.7	125.5	170	-61.7	-25	0	0	0	113.6
849	E	31.5	Very low	30.4	Very low	176 Å²	176	142.9 Å²	142.9	82%	0.822	79%	0.794	S	S	*	*			trans	177	145.3	132.3	-98.9	170.7	-166.7	0	0	110.3	P847	P847-E849 PolarHBondContact O-N 3.45Å
850	F	29.8	Very low	30.4	Very low	195 Å²	195	143.2 Å²	143.2	86%	0.855	80%	0.798	S	S	*	*			trans	84.4	80.3	175.2	-75.9	-86	0	0	0	119.2
851	E	29.1	Very low	30.7	Very low	179 Å²	179	145.5 Å²	145.5	84%	0.836	81%	0.808	S	S	*	*			trans	-49.8	155	142.4	-73.4	177.6	134.9	0	0	113.6
852	S	30.2	Very low	30.8	Very low	103 Å²	103	148.5 Å²	148.5	72%	0.72	82%	0.821	S	S	*	*			trans	98.8	130.7	149.4	82.6	0	0	0	0	118.4
853	S	32.3	Very low	31	Very low	110 Å²	110	151.5 Å²	151.5	77%	0.769	83%	0.833	S	S	*	*			trans	81.6	116.1	167.6	-41.7	0	0	0	0	112.4
854	I	33.1	Very low	31.1	Very low	153 Å²	153	150.1 Å²	150.1	79%	0.785	84%	0.836	S	S	*	*			cis	-159.9	117.9	40.3	-69.7	177.2	0	0	0	108.3
855	T	31	Very low	31.2	Very low	124 Å²	124	152.4 Å²	152.4	76%	0.761	85%	0.853	S	S	*	*			trans	-67.3	122.1	145.4	39.8	0	0	0	0	108.9
856	N	31.9	Very low	31.3	Very low	159 Å²	159	149.4 Å²	149.4	85%	0.85	85%	0.851	S	S	*	*			trans	156.7	97.4	141.5	-81.6	-14.8	0	0	0	111.8
857	A	35.9	Very low	31.3	Very low	180 Å²	180	150.1 Å²	150.1	100%	1.488	86%	0.861	S	S	*	*			trans	-162.7	0	138.8	0	0	0	0	0	108.1

Retrieved 857 of 857 residues in 758.3 ms (Link to these results)

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