A0A3Q0KD12_SCHMA Loading...

DNA ligase

AlphaFold DB , UniProt , Accession A0A3Q0KD12, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 840 aa.

						>A0A3Q0KD12_SCHMA|A0A3Q0KD12
MPQKSILSFFSGSEKKETERTNKEKIIGSKPPNNTSHKNIKRRRIIVESDDSLTETPNKSSECVHNDINFEESDVEIPSKLPDLVHQQPIRSPTSEDKLLENVTDTRSKDEFKNLSESNLVRLQCAEIEASNILSTSNDNEKSSRSPEKLVACYDPSKAGYHPIHDCNWREGESVPYLSLARTFECIEATSGRIKITEILCNFFRSVGLLSSFDLTSCVYLCLNRLGPAYEGMELGVGETILLKALAATTGVGIEHMRSSLKQHGDLGATIRSRQKILSAPKPLTISSVFSKLKDIASMSGNSAQNKKMEIIRSLLVACRESETKYIIRSLSGKLRIGLAEQTVLTALGQAVAMTPFHFKVSDKSTRIINASNGMSSEQWKVTMDIAVANVKRAYCVCPDYSRLIKALLTKSHESLDQICTITPGIPLKPMLASPTHGIYEILKRFEECDFTCEYKYDGERAQIHILPSGASHVYSRNQEDNTTKYPDIVNNLMSRVLPESKLTPHAIELLSEIVKDNKIQVQSNGIVGNKLESCIIDSEVVAWDRLAGHILPFQVLSTRKRKDVDESTLKVQICIYVFDILFINGISLIEQPLRIRREILREVFPRISGEFMMATSLDSSDTDEIATFLDEAIKGNCEGLMIKTLDRNSTYEIAKRSHSWLKLKKDYLEGVGDTLDLVVIGGFYGTGKRAGRYGGYLLACYDPDTEEYQTICKIGTGMKDDELASFSEFFKNHATDKAKPYYQYTISLIPDQWFEPVQVWEVKAADLSISPGHKAAAGLADPQKGISLRFPRFVRIRDDKKPEDATTAQQVYELYQNQEQIKNQHGNKQTGNNDDEDMY
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.8	Very low	35.1	Very low	231 Å²	231	151.2 Å²	151.2	100%	1.138	79%	0.785	S	S	*	*				0	130	0	-68.3	-145.6	179.4	0	0	108.3	Q3	M1-Q3 PolarHBondContact O-N 3.23Å
2	P	34.8	Very low	34.6	Very low	126 Å²	126	145.1 Å²	145.1	82%	0.818	79%	0.786	S	S	*	*			trans	-66.3	130.6	-177.4	27.6	-31.1	0	0	0	109.9	K4	P2-K4 PolarHBondContact O-N 3.4Å
3	Q	35.6	Very low	34.1	Very low	195 Å²	195	142.4 Å²	142.4	91%	0.911	79%	0.785	S	S	*	*			trans	-61.4	115.1	-179.1	-75.3	170.5	-32.4	0	0	109.7	M1 S5	M1-Q3 PolarHBondContact O-N 3.23Å; Q3-S5 PolarHBondContact O-N 3.26Å
4	K	36	Very low	33.4	Very low	203 Å²	203	144.8 Å²	144.8	88%	0.883	79%	0.788	S	S	*	*			trans	-63.4	121.3	172.9	-77.5	-177.4	175.9	179.6	0	109.1	P2	P2-K4 PolarHBondContact O-N 3.4Å
5	S	38.6	Very low	32.8	Very low	77 Å²	77	148.9 Å²	148.9	54%	0.538	80%	0.795	S	S	.	*			trans	-59.1	138	175.8	171.6	0	0	0	0	111.7	Q3 L7 S8	Q3-S5 PolarHBondContact O-N 3.26Å; S5-L7 PolarHBondContact O-N 3.3Å; S5-S8 PolarHBondContact O-N 2.95Å
6	I	38.9	Very low	32.2	Very low	148 Å²	148	151.1 Å²	151.1	76%	0.759	80%	0.795	S	S	*	*	G	3₁₀ helix	trans	-60	-6	-179.6	-153.4	164.1	0	0	0	114.2	S8 F9	I6-S8 PolarHBondContact O-N 3.4Å; I6-F9 PolarHBondContact O-N 3.45Å
7	L	34.6	Very low	31.7	Very low	138 Å²	138	153.6 Å²	153.6	72%	0.723	80%	0.802	S	S	*	*	G	3₁₀ helix	trans	-70	-12.4	177.8	-78	165.1	0	0	0	114.1	S5 F9	S5-L7 PolarHBondContact O-N 3.3Å; L7-F9 VanDerWaalsContact C-N 3.26Å; L7-F9 PolarHBondContact O-N 3.4Å
8	S	34.5	Very low	31.1	Very low	86 Å²	86	151.8 Å²	151.8	60%	0.601	80%	0.798	S	S	*	*	G	3₁₀ helix	trans	-79.6	-2.1	175.4	69.6	0	0	0	0	114.5	S5 I6	S5-S8 PolarHBondContact O-N 2.95Å; I6-S8 PolarHBondContact O-N 3.4Å
9	F	36.1	Very low	30.8	Very low	172 Å²	172	154.2 Å²	154.2	75%	0.754	81%	0.805	S	S	*	*	G	3₁₀ helix	trans	-85.6	-14.5	179.9	-131.3	-89.8	0	0	0	113.7	I6 L7	I6-F9 PolarHBondContact O-N 3.45Å; L7-F9 VanDerWaalsContact C-N 3.26Å; L7-F9 PolarHBondContact O-N 3.4Å
10	F	33.6	Very low	30.2	Very low	192 Å²	192	157.8 Å²	157.8	84%	0.842	81%	0.807	S	S	*	*	S	Bend	trans	-115.3	13	-174.5	-69.9	-74.1	0	0	0	114.7
11	S	28.9	Very low	29.9	Very low	95 Å²	95	156.6 Å²	156.6	66%	0.664	81%	0.808	S	S	*	*			trans	-120.4	68.9	172.3	63.9	0	0	0	0	110.7
12	G	29.2	Very low	29.3	Very low	78 Å²	78	152.1 Å²	152.1	80%	0.804	79%	0.789	S	S	*	*			trans	-102.7	90.7	170	0	0	0	0	0	109.6
13	S	27.1	Very low	28.7	Very low	110 Å²	110	155 Å²	155	77%	0.769	79%	0.788	S	S	*	*			trans	-52.1	143.6	175.8	43.2	0	0	0	0	114.9	K15	S13-K15 PolarHBondContact O-N 3.46Å
14	E	24.7	Very low	28.2	Very low	176 Å²	176	155 Å²	155	82%	0.822	79%	0.788	S	S	*	*			trans	-19.7	120	157.8	-63.3	178	157	0	0	115.1
15	K	24.7	Very low	27.6	Very low	206 Å²	206	153.9 Å²	153.9	90%	0.896	78%	0.783	S	S	*	*			trans	-111.1	106	149.7	-82.1	-170.4	175.6	-175.9	0	108.6	S13 E17	S13-K15 PolarHBondContact O-N 3.46Å; K15-E17 PolarHBondContact O-N 3.49Å
16	K	22.4	Very low	26.9	Very low	184 Å²	184	158.1 Å²	158.1	80%	0.8	80%	0.798	S	S	*	*			trans	-61.5	118.6	158.9	-73.4	171.7	174.5	170.4	0	108.1
17	E	23.8	Very low	26.1	Very low	194 Å²	194	158.4 Å²	158.4	91%	0.907	80%	0.8	S	S	*	*			trans	-125.2	108.3	150.1	-103.5	172.7	-180	0	0	108.4	K15	K15-E17 PolarHBondContact O-N 3.49Å
18	T	21.2	Very low	25.7	Very low	121 Å²	121	155 Å²	155	74%	0.742	80%	0.797	S	S	*	*			trans	-70.7	115.1	168.7	34.3	0	0	0	0	109.5
19	E	25	Very low	25.3	Very low	197 Å²	197	156.4 Å²	156.4	92%	0.921	81%	0.808	S	S	*	*			trans	-116.3	114.9	148.5	-82.4	-168.8	156.3	0	0	109.5
20	R	19.5	Very low	24.6	Very low	227 Å²	227	158 Å²	158	86%	0.857	81%	0.814	S	S	*	*			trans	-86.5	133.1	171	-70.2	169.6	166.2	176.9	-3.6	107.2
21	T	24.1	Very low	24.3	Very low	133 Å²	133	154.2 Å²	154.2	82%	0.816	81%	0.809	S	S	*	*			trans	-159.7	115.4	135.1	24.9	0	0	0	0	111.6
22	N	22.6	Very low	24.1	Very low	137 Å²	137	155.6 Å²	155.6	73%	0.733	82%	0.816	S	S	*	*			trans	38	109.3	142.7	-62.6	-27.4	0	0	0	119.2
23	K	22	Very low	23.8	Very low	186 Å²	186	159.4 Å²	159.4	81%	0.809	82%	0.818	S	S	*	*				58.6	100.6	83.7	-76.8	-174.5	178.4	174.9	0	112.6
24	E	25.6	Very low	23.6	Very low	195 Å²	195	161.7 Å²	161.7	91%	0.911	82%	0.821	S	S	*	*			trans	-140.6	121.6	131.3	-109.8	170.6	-163.3	0	0	109.5
25	K	22.7	Very low	23.6	Very low	179 Å²	179	159.3 Å²	159.3	78%	0.778	82%	0.819	S	S	*	*			trans	-86.5	121.2	176.4	-79.4	174.1	169.4	-179.1	0	107.1
26	I	24.6	Very low	23.7	Very low	167 Å²	167	154.3 Å²	154.3	86%	0.856	81%	0.81	S	S	*	*			trans	-112.7	108.1	154.8	-62.6	178.7	0	0	0	106.7
27	I	21.4	Very low	23.9	Very low	154 Å²	154	153.8 Å²	153.8	79%	0.79	81%	0.81	S	S	*	*			trans	-84	111.4	175.2	-67.1	168.1	0	0	0	106.2
28	G	27	Very low	24.1	Very low	65 Å²	65	154 Å²	154	67%	0.67	81%	0.808	S	S	*	*			trans	-133.8	119.5	171	0	0	0	0	0	109.2
29	S	24.5	Very low	24.4	Very low	117 Å²	117	155.2 Å²	155.2	82%	0.818	81%	0.81	S	S	*	*			trans	-41.2	131.6	-175.3	45.3	0	0	0	0	116.5
30	K	21.9	Very low	24.5	Very low	205 Å²	205	153.1 Å²	153.1	89%	0.891	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-74.4	126.3	167.6	-76.8	-180	175	178	0	111.1
31	P	26.5	Very low	24.8	Very low	112 Å²	112	151.4 Å²	151.4	73%	0.727	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-80.4	163.3	160.9	30.6	-24.2	0	0	0	110.8
32	P	24.6	Very low	25	Very low	125 Å²	125	153.7 Å²	153.7	81%	0.812	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-77	151	-155.1	30.1	-34	0	0	0	114	N34	P32-N34 PolarHBondContact O-N 3.25Å
33	N	23.2	Very low	25.3	Very low	158 Å²	158	156.9 Å²	156.9	85%	0.845	80%	0.797	S	S	*	*			trans	-57.1	92.9	174.8	-84.2	-21.3	0	0	0	111.5	T35	N33-T35 PolarHBondContact O-N 3.29Å
34	N	24.3	Very low	25.8	Very low	157 Å²	157	155.6 Å²	155.6	84%	0.84	79%	0.787	S	S	*	*			trans	-80.1	99.9	151.8	-102.3	-14.3	0	0	0	107.5	P32 S36	P32-N34 PolarHBondContact O-N 3.25Å; N34-S36 PolarHBondContact O-N 3.34Å
35	T	24.5	Very low	26	Very low	126 Å²	126	149.9 Å²	149.9	77%	0.773	76%	0.763	S	S	*	*			trans	-61.6	82.5	163.7	34.5	0	0	0	0	108.8	N33 H37	N33-T35 PolarHBondContact O-N 3.29Å; T35-H37 PolarHBondContact O-N 3.48Å; T35-H37 VanDerWaalsContact O-N 3.16Å
36	S	26.5	Very low	26.1	Very low	102 Å²	102	147.4 Å²	147.4	71%	0.713	76%	0.756	S	S	*	*			trans	-66.8	113.1	165.5	54.1	0	0	0	0	107.4	N34 K38	N34-S36 PolarHBondContact O-N 3.34Å; S36-K38 PolarHBondContact O-N 3.34Å
37	H	26	Very low	26.2	Very low	172 Å²	172	143.8 Å²	143.8	80%	0.796	74%	0.742	S	S	*	*			trans	-47.5	108.1	167.6	-74.1	-81	0	0	0	108.4	T35 N39	T35-H37 PolarHBondContact O-N 3.48Å; T35-H37 VanDerWaalsContact O-N 3.16Å; H37-N39 PolarHBondContact O-N 3.05Å
38	K	27.8	Very low	26.4	Very low	200 Å²	200	145.2 Å²	145.2	87%	0.87	75%	0.745	S	S	*	*			trans	-64.5	88.9	166.3	-80.8	-175.3	177.7	177.8	0	106.8	S36 I40	S36-K38 PolarHBondContact O-N 3.34Å; K38-I40 PolarHBondContact O-N 2.91Å
39	N	27.8	Very low	26.4	Very low	145 Å²	145	146.7 Å²	146.7	78%	0.775	75%	0.745	S	S	*	*			trans	-56.2	105.5	170.6	-85.2	-28.9	0	0	0	107.9	H37 K41	H37-N39 PolarHBondContact O-N 3.05Å; N39-K41 PolarHBondContact O-N 3.45Å
40	I	26.8	Very low	26.6	Very low	154 Å²	154	146.3 Å²	146.3	79%	0.79	73%	0.734	S	S	*	*			trans	-63.5	100.2	169.9	-64.4	172.4	0	0	0	105.8	K38 R42	K38-I40 PolarHBondContact O-N 2.91Å; I40-R42 PolarHBondContact O-N 2.98Å
41	K	25.8	Very low	26.7	Very low	190 Å²	190	142 Å²	142	83%	0.826	72%	0.721	S	S	*	*			trans	-59.6	103	171.2	-74.5	-177.3	176.7	179.2	0	107.8	N39 R43	N39-K41 PolarHBondContact O-N 3.45Å; K41-R43 PolarHBondContact O-N 2.92Å
42	R	28.8	Very low	26.6	Very low	182 Å²	182	140.8 Å²	140.8	69%	0.687	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-56.5	118.8	169.7	-67.6	-179.2	-178.1	166.2	1.8	107.6	I40	I40-R42 PolarHBondContact O-N 2.98Å
43	R	28.3	Very low	26.5	Very low	203 Å²	203	141 Å²	141	77%	0.766	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-81.6	136.4	179.4	-77.1	179.7	172.7	166.9	-3.6	109.2	K41 E239	K41-R43 PolarHBondContact O-N 2.92Å; R43-E239 IonicContact NH1-OE2 3.45Å
44	R	33	Very low	26.5	Very low	159 Å²	159	139.4 Å²	139.4	60%	0.6	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-61.7	151.5	177.5	-146.3	-174.1	-162.1	158.2	7.4	112	I46 N478 E480	R44-I46 PolarHBondContact O-N 3.46Å; R44-N478 PolarHBondContact NH2-ND2 3.27Å; R44-E480 IonicContact NE-OE1 2.67Å; R44-E480 IonicContact NH2-OE1 3.43Å; R44-E480 PolarHBondContact NH2-OE1 2.77Å
45	I	29.7	Very low	26.5	Very low	76 Å²	76	140.6 Å²	140.6	39%	0.39	71%	0.705	S	S	.	*			trans	-75.1	111	151.1	-61.9	172.7	0	0	0	105.9	V47	I45-V47 HydrophobicContact CG2-CG2 4.32Å; I45-V47 PolarHBondContact O-N 2.9Å
46	I	24.7	Very low	26.4	Very low	126 Å²	126	139.9 Å²	139.9	65%	0.646	70%	0.701	S	S	*	*			trans	-81	104.5	171.3	-61.5	171.2	0	0	0	105.8	R44	R44-I46 PolarHBondContact O-N 3.46Å
47	V	27.1	Very low	26.3	Very low	91 Å²	91	141.1 Å²	141.1	55%	0.552	71%	0.707	S	S	*	*			trans	-78.2	118.7	159.6	-178	0	0	0	0	105.2	I45 S49	I45-V47 HydrophobicContact CG2-CG2 4.32Å; I45-V47 PolarHBondContact O-N 2.9Å; V47-S49 PolarHBondContact O-N 3.28Å; V47-S49 VanDerWaalsContact O-N 3.08Å
48	E	25.2	Very low	26.1	Very low	184 Å²	184	140.4 Å²	140.4	86%	0.86	71%	0.708	S	S	*	*			trans	-57.5	114.4	170.7	-71.7	177.1	170.4	0	0	107.9
49	S	27.1	Very low	25.9	Very low	97 Å²	97	139.7 Å²	139.7	68%	0.678	71%	0.705	S	S	*	*			trans	-79.5	128.7	166.4	49.1	0	0	0	0	108.5	V47 D51	V47-S49 PolarHBondContact O-N 3.28Å; V47-S49 VanDerWaalsContact O-N 3.08Å; S49-D51 PolarHBondContact O-N 3.08Å
50	D	29.1	Very low	25.6	Very low	108 Å²	108	138.2 Å²	138.2	58%	0.578	71%	0.706	S	S	*	*			trans	-60.6	102.7	176.4	-119.4	-20.1	0	0	0	110.2
51	D	24.1	Very low	25.5	Very low	116 Å²	116	136.4 Å²	136.4	62%	0.62	71%	0.708	S	S	*	*			trans	-110	6.4	167.7	-92.4	-25.3	0	0	0	112.6	S49 L53 R657	S49-D51 PolarHBondContact O-N 3.08Å; D51-L53 PolarHBondContact O-N 3.33Å; D51-R657 IonicContact OD1-NH2 3.32Å; D51-R657 PolarHBondContact OD1-NH2 3.42Å
52	S	24	Very low	25.4	Very low	85 Å²	85	136.4 Å²	136.4	59%	0.594	71%	0.711	S	S	*	*			trans	-96.3	67	174.1	61.5	0	0	0	0	112
53	L	23.9	Very low	25	Very low	131 Å²	131	133.5 Å²	133.5	69%	0.686	72%	0.717	S	S	*	*			trans	-128.6	69.2	156	-71.7	176.5	0	0	0	107.3	D51	D51-L53 PolarHBondContact O-N 3.33Å
54	T	22.8	Very low	24.7	Very low	124 Å²	124	129.6 Å²	129.6	76%	0.761	72%	0.715	S	S	*	*			trans	-116	85.9	158.9	53.8	0	0	0	0	105.6	T56	T54-T56 PolarHBondContact O-N 3.29Å
55	E	24.2	Very low	24.2	Very low	181 Å²	181	129 Å²	129	85%	0.846	72%	0.719	S	S	*	*			trans	-69.4	117.3	164.5	-74.3	-175.3	168.6	0	0	107.2
56	T	22.2	Very low	23.9	Very low	112 Å²	112	132 Å²	132	69%	0.687	74%	0.736	S	S	*	*			trans	-61.7	135.7	167.8	42.5	0	0	0	0	108.9	T54 N58	T54-T56 PolarHBondContact O-N 3.29Å; T56-N58 PolarHBondContact O-N 3.03Å
57	P	23.7	Very low	23.8	Very low	128 Å²	128	131.9 Å²	131.9	83%	0.831	74%	0.736	S	S	*	*			trans	-71.5	102.4	-176.2	20.7	-17.8	0	0	0	109.4
58	N	22.9	Very low	23.6	Very low	156 Å²	156	134 Å²	134	83%	0.834	74%	0.743	S	S	*	*			trans	-76.5	134.8	165.8	-95.5	-16	0	0	0	109.4	T56	T56-N58 PolarHBondContact O-N 3.03Å
59	K	22.7	Very low	23.4	Very low	185 Å²	185	131.9 Å²	131.9	80%	0.804	74%	0.738	S	S	*	*			trans	-49.1	132.2	-174.2	-70.3	170.4	172.3	177.6	0	113.8
60	S	22.5	Very low	23.2	Very low	114 Å²	114	136.6 Å²	136.6	80%	0.797	75%	0.746	S	S	*	*			trans	34.9	94.2	145.5	60	0	0	0	0	116.7
61	S	24	Very low	22.8	Very low	117 Å²	117	139.4 Å²	139.4	82%	0.818	76%	0.756	S	S	*	*			trans	-138.3	130	149.1	-60.3	0	0	0	0	106.3
62	E	23.2	Very low	22.7	Very low	190 Å²	190	143.3 Å²	143.3	89%	0.888	77%	0.771	S	S	*	*			trans	-51.2	137.7	-165.3	-69.4	160.6	149.4	0	0	113.5	V64	E62-V64 PolarHBondContact O-N 3.38Å
63	C	20.8	Very low	22.6	Very low	120 Å²	120	143.9 Å²	143.9	81%	0.811	77%	0.774	S	S	*	*			trans	-57.1	106.1	173.6	-68	0	0	0	0	110.5
64	V	21.5	Very low	22.6	Very low	121 Å²	121	145.3 Å²	145.3	73%	0.733	78%	0.783	S	S	*	*			trans	-91.5	103.5	157.2	-177.8	0	0	0	0	106.5	E62 N66	E62-V64 PolarHBondContact O-N 3.38Å; V64-N66 PolarHBondContact O-N 3.03Å; V64-N66 VanDerWaalsContact O-N 3.09Å
65	H	23.3	Very low	22.6	Very low	147 Å²	147	145 Å²	145	68%	0.681	78%	0.781	S	S	*	*			trans	-59.5	105.1	167.3	-83.4	-90	0	0	0	108.8	D67	H65-D67 VanDerWaalsContact C-N 3.33Å; H65-D67 IonicContact ND1-OD2 3.88Å; H65-D67 PolarHBondContact O-N 3.27Å
66	N	22.8	Very low	22.4	Very low	139 Å²	139	145.4 Å²	145.4	74%	0.743	78%	0.782	S	S	*	*			trans	-93.5	74.2	162.6	-81.8	-12.7	0	0	0	108	V64 I68	V64-N66 PolarHBondContact O-N 3.03Å; V64-N66 VanDerWaalsContact O-N 3.09Å; N66-I68 PolarHBondContact O-N 2.75Å; N66-I68 VanDerWaalsContact O-N 3.17Å
67	D	23.4	Very low	22.5	Very low	123 Å²	123	147.2 Å²	147.2	66%	0.658	79%	0.786	S	S	*	*			trans	-73.6	96.8	161.7	-68.4	-39.5	0	0	0	107.1	H65 N69	H65-D67 VanDerWaalsContact C-N 3.33Å; H65-D67 IonicContact ND1-OD2 3.88Å; H65-D67 PolarHBondContact O-N 3.27Å; D67-N69 PolarHBondContact O-N 3.46Å
68	I	23	Very low	22.6	Very low	137 Å²	137	146.5 Å²	146.5	70%	0.703	78%	0.782	S	S	*	*			trans	-76.5	80.1	167.4	-57.3	175.6	0	0	0	106.3	N66 F70	N66-I68 PolarHBondContact O-N 2.75Å; N66-I68 VanDerWaalsContact O-N 3.17Å; I68-F70 HydrophobicContact CG2-CD2 4.37Å; I68-F70 HydrophobicContact CG2-CE2 4.21Å; I68-F70 PolarHBondContact O-N 3.04Å
69	N	19.8	Very low	22.7	Very low	138 Å²	138	145 Å²	145	74%	0.738	78%	0.783	S	S	*	*			trans	-72.1	116.6	159.8	-92.3	-23.2	0	0	0	107.5	D67 E71	D67-N69 PolarHBondContact O-N 3.46Å; N69-E71 PolarHBondContact O-N 3.22Å
70	F	23	Very low	22.7	Very low	197 Å²	197	144.8 Å²	144.8	86%	0.864	78%	0.782	S	S	*	*			trans	-69.1	80.4	167	-78.1	-95.1	0	0	0	108.4	I68	I68-F70 HydrophobicContact CG2-CD2 4.37Å; I68-F70 HydrophobicContact CG2-CE2 4.21Å; I68-F70 PolarHBondContact O-N 3.04Å
71	E	21.5	Very low	22.9	Very low	167 Å²	167	146.6 Å²	146.6	78%	0.78	78%	0.782	S	S	*	*			trans	-81.9	119.4	156.3	-74.7	-165.7	165.3	0	0	107.8	N69 S73	N69-E71 PolarHBondContact O-N 3.22Å; E71-S73 PolarHBondContact O-N 3.05Å
72	E	22.1	Very low	23	Very low	198 Å²	198	146.8 Å²	146.8	93%	0.925	78%	0.781	S	S	*	*			trans	-51.4	95.8	173.1	-70.1	176.1	151.5	0	0	109.4
73	S	22.2	Very low	23	Very low	96 Å²	96	145.3 Å²	145.3	67%	0.671	78%	0.779	S	S	*	*			trans	-108.1	114	163.9	46.2	0	0	0	0	107.1	E71 V75	E71-S73 PolarHBondContact O-N 3.05Å; S73-V75 VanDerWaalsContact C-N 3.31Å; S73-V75 PolarHBondContact O-N 3.33Å
74	D	22.7	Very low	23.2	Very low	162 Å²	162	147.4 Å²	147.4	87%	0.866	78%	0.781	S	S	*	*			trans	-57.1	88.3	178.5	-68	-47.7	0	0	0	110.7
75	V	23.3	Very low	23.2	Very low	118 Å²	118	148 Å²	148	72%	0.715	79%	0.785	S	S	*	*			trans	-98.4	96.6	163.1	-176.9	0	0	0	0	106.7	S73 I77	S73-V75 VanDerWaalsContact C-N 3.31Å; S73-V75 PolarHBondContact O-N 3.33Å; V75-I77 PolarHBondContact O-N 3.14Å
76	E	20.4	Very low	23.2	Very low	188 Å²	188	149.5 Å²	149.5	88%	0.879	79%	0.792	S	S	*	*			trans	-54.1	109.5	171.5	-89.4	-175	146.9	0	0	110.2	P78	E76-P78 WeakPolarHBondContact O-CD 3.18Å
77	I	24.3	Very low	23.2	Very low	150 Å²	150	151.8 Å²	151.8	77%	0.769	80%	0.798	S	S	*	*			trans	-76.9	120.6	169.6	-60	173.1	0	0	0	107.4	V75 S79	V75-I77 PolarHBondContact O-N 3.14Å; I77-S79 PolarHBondContact O-N 2.68Å; I77-S79 VanDerWaalsContact O-N 3.07Å
78	P	24.8	Very low	23	Very low	114 Å²	114	154.6 Å²	154.6	74%	0.74	81%	0.807	S	S	*	*			trans	-63.8	113.7	179.3	-19.9	31.7	0	0	0	111	E76 K80	E76-P78 WeakPolarHBondContact O-CD 3.18Å; P78-K80 PolarHBondContact O-N 2.89Å; P78-K80 VanDerWaalsContact O-N 3.08Å
79	S	26.3	Very low	22.9	Very low	123 Å²	123	153.8 Å²	153.8	86%	0.86	81%	0.811	S	S	*	*			trans	-77.6	20	-178.9	55.7	0	0	0	0	114.6	I77	I77-S79 PolarHBondContact O-N 2.68Å; I77-S79 VanDerWaalsContact O-N 3.07Å
80	K	22.9	Very low	23	Very low	182 Å²	182	155 Å²	155	79%	0.791	82%	0.816	S	S	*	*	S	Bend	trans	-136.6	120.7	179.2	-74.5	-175.9	177.8	177.4	0	111.4	P78	P78-K80 PolarHBondContact O-N 2.89Å; P78-K80 VanDerWaalsContact O-N 3.08Å
81	L	25.9	Very low	22.7	Very low	151 Å²	151	157.2 Å²	157.2	79%	0.791	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-49.6	139.2	166	-123	79.2	0	0	0	109.6
82	P	25.4	Very low	22.6	Very low	122 Å²	122	154.5 Å²	154.5	79%	0.792	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-62.3	139.2	179.6	-5.5	12.6	0	0	0	112
83	D	24	Very low	22.6	Very low	159 Å²	159	151.1 Å²	151.1	85%	0.85	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-55.7	135.5	179.9	-71.7	-45.8	0	0	0	112.4	V85	D83-V85 PolarHBondContact O-N 3.17Å
84	L	25.1	Very low	22.4	Very low	164 Å²	164	153.2 Å²	153.2	86%	0.859	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-55	118	177.6	-83.6	106.4	0	0	0	111.4	H86	L84-H86 PolarHBondContact O-N 3.38Å
85	V	22	Very low	22.3	Very low	133 Å²	133	150.8 Å²	150.8	81%	0.806	82%	0.818	S	S	*	*			trans	-67.9	105.3	165	176.5	0	0	0	0	108.5	D83 Q87	D83-V85 PolarHBondContact O-N 3.17Å; V85-Q87 PolarHBondContact O-N 3.34Å; V85-Q87 VanDerWaalsContact O-N 3.11Å
86	H	22	Very low	22.1	Very low	178 Å²	178	153.8 Å²	153.8	82%	0.824	82%	0.824	S	S	*	*			trans	-55	107.8	168.4	-86	-48.1	0	0	0	110.8	L84 Q88	L84-H86 PolarHBondContact O-N 3.38Å; H86-Q88 PolarHBondContact O-N 3.22Å
87	Q	22.3	Very low	22.3	Very low	187 Å²	187	152.3 Å²	152.3	87%	0.874	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-73.9	122.1	159.2	-73.9	-175.4	-4	0	0	108.7	V85	V85-Q87 PolarHBondContact O-N 3.34Å; V85-Q87 VanDerWaalsContact O-N 3.11Å
88	Q	19.4	Very low	22.1	Very low	183 Å²	183	153.8 Å²	153.8	86%	0.855	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-63	141.1	-179.2	-72	-179.6	-11.9	0	0	111.8	H86	H86-Q88 PolarHBondContact O-N 3.22Å
89	P	21.3	Very low	21.8	Very low	120 Å²	120	155 Å²	155	78%	0.779	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-77.7	130	-171.6	28.7	-32.4	0	0	0	112.5	R91	P89-R91 PolarHBondContact O-N 3.38Å
90	I	21.3	Very low	21.7	Very low	164 Å²	164	157.1 Å²	157.1	84%	0.841	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-70.6	118.7	172.9	-64	171.1	0	0	0	108.7	S92	I90-S92 PolarHBondContact O-N 3.49Å
91	R	17.6	Very low	21.5	Very low	242 Å²	242	155.6 Å²	155.6	91%	0.913	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-58.4	127.8	174.3	-71.2	175.4	173	179	-3.2	110.6	P89	P89-R91 PolarHBondContact O-N 3.38Å
92	S	20.2	Very low	21.3	Very low	111 Å²	111	155.1 Å²	155.1	78%	0.776	82%	0.817	S	S	*	*			trans	-121.7	150.8	162.8	46.3	0	0	0	0	110.2	I90	I90-S92 PolarHBondContact O-N 3.49Å
93	P	21.5	Very low	21.2	Very low	126 Å²	126	155.8 Å²	155.8	82%	0.818	82%	0.819	S	S	*	*			trans	-86.9	149.5	-160.2	-3	22.7	0	0	0	113.9
94	T	17.6	Very low	20.9	Very low	140 Å²	140	153.6 Å²	153.6	86%	0.859	81%	0.811	S	S	*	*			trans	-47.4	127.2	170.2	41.6	0	0	0	0	115.8
95	S	21.5	Very low	20.7	Very low	111 Å²	111	152.5 Å²	152.5	78%	0.776	81%	0.806	S	S	*	*			trans	-162.5	96.3	138.2	42.1	0	0	0	0	105.4
96	E	19.1	Very low	20.6	Very low	182 Å²	182	151.4 Å²	151.4	85%	0.85	80%	0.8	S	S	*	*				43.4	88.7	95.8	-72.6	-168.1	169.9	0	0	113.1
97	D	23.4	Very low	20.4	Very low	157 Å²	157	154.3 Å²	154.3	84%	0.84	80%	0.804	S	S	*	*			trans	-161.2	101.2	130.4	-99.3	-27.7	0	0	0	112
98	K	20.3	Very low	20.4	Very low	181 Å²	181	150.7 Å²	150.7	79%	0.787	80%	0.799	S	S	*	*			trans	16.2	131.3	136	-76.3	177.8	-178.7	174.1	0	121.1
99	L	19.6	Very low	20.3	Very low	139 Å²	139	151.3 Å²	151.3	73%	0.728	80%	0.799	S	S	*	*			trans	95.2	118.6	132.3	-72.3	163.5	0	0	0	119.9
100	L	23.7	Very low	20.3	Very low	168 Å²	168	152.8 Å²	152.8	88%	0.88	80%	0.8	S	S	*	*			trans	144.3	85.3	141.7	-79.6	158.1	0	0	0	106.4
101	E	18.7	Very low	20.3	Very low	150 Å²	150	153.8 Å²	153.8	70%	0.701	80%	0.802	S	S	*	*				56.5	120.9	61.3	-126.5	-178.9	-150.3	0	0	114.8
102	N	20.2	Very low	20.5	Very low	140 Å²	140	151.9 Å²	151.9	75%	0.749	80%	0.8	S	S	*	*			trans	81.4	123.4	171.2	-50.2	-34.8	0	0	0	114.8
103	V	24.3	Very low	20.5	Very low	136 Å²	136	155.7 Å²	155.7	82%	0.824	80%	0.803	S	S	*	*			cis	-154.9	130.3	44.1	164.4	0	0	0	0	110
104	T	17.1	Very low	20.6	Very low	113 Å²	113	157 Å²	157	69%	0.693	80%	0.803	S	S	*	*			trans	-66.6	138.4	157.5	40.7	0	0	0	0	110.9
105	D	21.4	Very low	21	Very low	141 Å²	141	157.8 Å²	157.8	75%	0.754	80%	0.801	S	S	*	*				178.3	127.1	117.9	-96.8	-21.3	0	0	0	116.1
106	T	19.8	Very low	21.2	Very low	110 Å²	110	156.6 Å²	156.6	68%	0.675	79%	0.792	S	S	*	*			trans	42.1	114.4	137	59.4	0	0	0	0	123.5
107	R	17.7	Very low	21.9	Very low	239 Å²	239	156.6 Å²	156.6	90%	0.902	79%	0.792	S	S	*	*				41.4	117.3	113.6	-66.2	-179.4	175.7	-179.7	-0.4	120.3
108	S	22.1	Very low	22.1	Very low	112 Å²	112	153.2 Å²	153.2	78%	0.783	78%	0.781	S	S	*	*				171.3	112.9	129.1	43.1	0	0	0	0	107.6
109	K	17.6	Very low	22.5	Very low	195 Å²	195	148.8 Å²	148.8	85%	0.848	77%	0.766	S	S	*	*				33.1	93	76.4	-79.8	-167.9	177.7	-175.2	0	113.4
110	D	21.4	Very low	22.9	Very low	151 Å²	151	149.2 Å²	149.2	81%	0.807	77%	0.769	S	S	*	*				175	158.2	108.6	-89.9	-27	0	0	0	112.5
111	E	21.9	Very low	23	Very low	186 Å²	186	146.5 Å²	146.5	87%	0.869	76%	0.758	S	S	*	*			trans	89.8	96.2	159	-71.9	176.8	-177.3	0	0	121.5
112	F	20.4	Very low	23.3	Very low	202 Å²	202	149.1 Å²	149.1	89%	0.886	76%	0.762	S	S	*	*			trans	-47.8	130.6	137	-90.7	-103.4	0	0	0	112.6
113	K	21.7	Very low	23.6	Very low	190 Å²	190	149.9 Å²	149.9	83%	0.826	77%	0.765	S	S	*	*				161.9	146.2	121	-92	175	178.7	176.6	0	111.8
114	N	23.2	Very low	23.7	Very low	155 Å²	155	151 Å²	151	83%	0.829	76%	0.761	S	S	*	*			trans	80.9	82.3	167.6	-58.7	-16	0	0	0	117.6
115	L	26.1	Very low	24.1	Very low	156 Å²	156	151.5 Å²	151.5	82%	0.817	77%	0.768	S	S	*	*			trans	-101.8	97.2	154.8	-82.1	156.6	0	0	0	108.3
116	S	26.3	Very low	24.3	Very low	85 Å²	85	148.7 Å²	148.7	59%	0.594	76%	0.764	S	S	*	*			trans	-71.6	155	170.5	53.3	0	0	0	0	111.5	S118	S116-S118 PolarHBondContact O-N 2.87Å
117	E	32.8	Very low	24.5	Very low	182 Å²	182	152.2 Å²	152.2	85%	0.85	77%	0.773	S	S	*	*	G	3₁₀ helix	trans	-56.6	-1	-172.2	-74.3	177.3	136.6	0	0	116.9	N119 L120	E117-N119 VanDerWaalsContact C-N 3.28Å; E117-N119 PolarHBondContact O-N 2.98Å; E117-L120 PolarHBondContact O-N 3.25Å
118	S	27.4	Very low	24.8	Very low	86 Å²	86	148 Å²	148	60%	0.601	77%	0.767	S	S	*	*	G	3₁₀ helix	trans	-73.5	-11.8	177	51.3	0	0	0	0	114.8	S116	S116-S118 PolarHBondContact O-N 2.87Å
119	N	28.2	Very low	24.9	Very low	89 Å²	89	150.9 Å²	150.9	48%	0.476	77%	0.768	S	S	.	*	G	3₁₀ helix	trans	-95.4	-1.9	174.8	-78	-21.3	0	0	0	114.4	E117 V121	E117-N119 VanDerWaalsContact C-N 3.28Å; E117-N119 PolarHBondContact O-N 2.98Å; N119-V121 VanDerWaalsContact C-N 3.33Å
120	L	28.3	Very low	25.2	Very low	148 Å²	148	146.1 Å²	146.1	78%	0.775	77%	0.765	S	S	*	*	S	Bend	trans	-77.2	-20.2	176.5	-139	93.7	0	0	0	113.1	E117	E117-L120 PolarHBondContact O-N 3.25Å
121	V	27.1	Very low	25.4	Very low	110 Å²	110	143.7 Å²	143.7	67%	0.667	76%	0.76	S	S	*	*	S	Bend	trans	-88.9	-13.7	-178	-177	0	0	0	0	112.6	N119	N119-V121 VanDerWaalsContact C-N 3.33Å
122	R	24.8	Very low	25.5	Very low	206 Å²	206	142.5 Å²	142.5	78%	0.777	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.9	5.6	179.9	-98.3	-178.7	177.2	162.2	-1.2	115.6	Q124	R122-Q124 VanDerWaalsContact C-N 3.27Å
123	L	26.1	Very low	25.6	Very low	155 Å²	155	139.8 Å²	139.8	81%	0.812	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.6	3.8	168.8	-86.3	156.5	0	0	0	113.3
124	Q	25.8	Very low	25.9	Very low	160 Å²	160	139.3 Å²	139.3	75%	0.748	76%	0.758	S	S	*	*	S	Bend	trans	-88.9	119.2	158.7	-89.1	168.7	-38.4	0	0	108.8	R122	R122-Q124 VanDerWaalsContact C-N 3.27Å
125	C	25.3	Very low	25.9	Very low	124 Å²	124	136.4 Å²	136.4	84%	0.838	75%	0.75	S	S	*	*			trans	67.5	63	172.4	-56.5	0	0	0	0	115.6
126	A	26.5	Very low	25.7	Very low	81 Å²	81	135.7 Å²	135.7	67%	0.669	75%	0.753	S	S	*	*			trans	-83.4	105	150.2	0	0	0	0	0	107.8	I128	A126-I128 PolarHBondContact O-N 2.95Å
127	E	23.4	Very low	25.7	Very low	185 Å²	185	136.5 Å²	136.5	86%	0.864	76%	0.758	S	S	*	*			trans	-59.8	99.8	164.1	-71.8	175.7	153.7	0	0	107.7	E129	E127-E129 PolarHBondContact O-N 2.78Å; E127-E129 VanDerWaalsContact O-N 3.11Å
128	I	24.7	Very low	25.4	Very low	149 Å²	149	135.9 Å²	135.9	76%	0.764	76%	0.761	S	S	*	*			trans	-73.5	102.4	170.5	-63.2	174.1	0	0	0	106	A126 A130	A126-I128 PolarHBondContact O-N 2.95Å; I128-A130 PolarHBondContact O-N 3.48Å
129	E	22.9	Very low	25.4	Very low	173 Å²	173	136.4 Å²	136.4	81%	0.808	76%	0.757	S	S	*	*			trans	-53.5	122.6	168.7	-73.5	-177.7	156.5	0	0	109.2	E127 S131	E127-E129 PolarHBondContact O-N 2.78Å; E127-E129 VanDerWaalsContact O-N 3.11Å; E129-S131 VanDerWaalsContact C-N 3.28Å; E129-S131 PolarHBondContact O-N 3.31Å; E129-S131 PolarHBondContact O-OG 3.27Å
130	A	24.7	Very low	25.2	Very low	96 Å²	96	139 Å²	139	79%	0.793	77%	0.771	S	S	*	*			trans	-63.6	87.6	177.4	0	0	0	0	0	110	I128 N132	I128-A130 PolarHBondContact O-N 3.48Å; A130-N132 PolarHBondContact O-N 3.04Å
131	S	24.9	Very low	25.3	Very low	99 Å²	99	138.6 Å²	138.6	69%	0.692	77%	0.765	S	S	*	*			trans	-77	104.7	169.3	27.2	0	0	0	0	108.3	E129 I133	E129-S131 VanDerWaalsContact C-N 3.28Å; E129-S131 PolarHBondContact O-N 3.31Å; E129-S131 PolarHBondContact O-OG 3.27Å; S131-I133 VanDerWaalsContact C-N 3.31Å; S131-I133 PolarHBondContact O-N 3.44Å
132	N	23.8	Very low	25.6	Very low	161 Å²	161	138.6 Å²	138.6	86%	0.861	76%	0.756	S	S	*	*			trans	-59.9	86.8	170.5	-83.8	-33.2	0	0	0	110.4	A130	A130-N132 PolarHBondContact O-N 3.04Å
133	I	23.8	Very low	25.9	Very low	146 Å²	146	134.1 Å²	134.1	75%	0.749	76%	0.756	S	S	*	*			trans	-129.9	70.4	163.1	-51.3	178.1	0	0	0	107.3	S131	S131-I133 VanDerWaalsContact C-N 3.31Å; S131-I133 PolarHBondContact O-N 3.44Å
134	L	27.4	Very low	26	Very low	179 Å²	179	131.3 Å²	131.3	94%	0.937	75%	0.75	S	S	*	*			trans	-127.6	68.4	158.6	-153.4	82.3	0	0	0	107.5
135	S	23.1	Very low	26.2	Very low	95 Å²	95	130.3 Å²	130.3	66%	0.664	74%	0.739	S	S	*	*			trans	-127.7	85.7	172.2	58.1	0	0	0	0	108.5
136	T	23.2	Very low	26.7	Very low	141 Å²	141	126.8 Å²	126.8	87%	0.865	72%	0.716	S	S	*	*			trans	-179	68.5	148.1	47.3	0	0	0	0	109
137	S	26.5	Very low	27.4	Very low	101 Å²	101	127.9 Å²	127.9	71%	0.706	72%	0.716	S	S	*	*	S	Bend	trans	-155.2	126.3	155.5	-45	0	0	0	0	105.6	D139	S137-D139 PolarHBondContact O-N 3.17Å
138	N	25.4	Very low	28.5	Very low	170 Å²	170	125.4 Å²	125.4	91%	0.909	71%	0.705	S	S	*	*			trans	-69	53.9	-177.3	-95.2	-17.5	0	0	0	113	N140	N138-N140 PolarHBondContact O-N 3.42Å
139	D	27.1	Very low	29.6	Very low	97 Å²	97	125 Å²	125	52%	0.519	70%	0.697	S	S	.	*			trans	-92.8	67.5	173.5	-77.6	-9.5	0	0	0	110.3	S137 E141 K142	S137-D139 PolarHBondContact O-N 3.17Å; D139-E141 PolarHBondContact O-N 2.69Å; D139-K142 PolarHBondContact O-N 3.4Å
140	N	24.9	Very low	30.9	Very low	143 Å²	143	120 Å²	120	77%	0.765	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.2	5.3	170.2	-99.5	-19.3	0	0	0	113.6	N138	N138-N140 PolarHBondContact O-N 3.42Å
141	E	29.1	Very low	32.4	Very low	140 Å²	140	117.2 Å²	117.2	65%	0.654	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	-14.8	173.2	-73.4	-155.6	161.1	0	0	114.9	D139	D139-E141 PolarHBondContact O-N 2.69Å
142	K	35.2	Very low	34.1	Very low	109 Å²	109	115.3 Å²	115.3	47%	0.474	64%	0.639	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.5	-14.3	178.8	-82.2	-175.2	176.8	-179.4	0	114.4	D139	D139-K142 PolarHBondContact O-N 3.4Å
143	S	30.2	Very low	36.6	Very low	113 Å²	113	112.6 Å²	112.6	79%	0.79	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	-15.6	177.2	-173.3	0	0	0	0	113.6
144	S	28.6	Very low	39.9	Very low	96 Å²	96	106.2 Å²	106.2	67%	0.671	60%	0.598	S	S	*	*	S	Bend	trans	-110.1	-3.3	-168	64.3	0	0	0	0	115.6
145	R	29.4	Very low	43.2	Very low	138 Å²	138	100.7 Å²	100.7	52%	0.521	57%	0.569	S	S	.	*	S	Bend	trans	-96.1	120.8	174.9	-67.1	-173.8	-173.3	-175.4	5.6	110.4	L150	R145-L150 HydrophobicContact CB-CG 4.37Å
146	S	35.4	Very low	46.7	Very low	50 Å²	50	96.2 Å²	96.2	35%	0.35	54%	0.538	S	S	.	.			trans	-56.6	148.1	173.9	58.4	0	0	0	0	110.9	E148 K149 L150	S146-E148 PolarHBondContact O-N 3.42Å; S146-K149 PolarHBondContact O-N 2.9Å; S146-L150 PolarHBondContact O-N 3.48Å
147	P	42	Very low	50.2	Low	104 Å²	104	91.2 Å²	91.2	68%	0.675	51%	0.508	S	S	*	.	H	α-helix	trans	-50.6	-33.9	177.1	-27.3	33.9	0	0	0	113.1	K149 L150 V151	P147-K149 PolarHBondContact O-N 2.87Å; P147-L150 PolarHBondContact O-N 3.33Å; P147-V151 WeakPolarHBondContact O-CG2 3.25Å; P147-V151 PolarHBondContact O-N 2.89Å
148	E	47.2	Very low	53.4	Low	134 Å²	134	90.7 Å²	90.7	63%	0.626	49%	0.494	S	S	*	.	H	α-helix	trans	-66.6	-33.6	178	-66.3	160.4	166.7	0	0	113.3	S146 A152	S146-E148 PolarHBondContact O-N 3.42Å; E148-A152 PolarHBondContact O-N 3.1Å
149	K	46	Very low	56.6	Low	141 Å²	141	86.7 Å²	86.7	61%	0.613	48%	0.484	S	S	*	.	H	α-helix	trans	-74.7	-33.3	175.5	-84.8	-176	176.1	179.3	0	112.7	S146 P147 V151	S146-K149 PolarHBondContact O-N 2.9Å; P147-K149 PolarHBondContact O-N 2.87Å; K149-V151 VanDerWaalsContact C-N 3.32Å
150	L	51.5	Low	59.7	Low	68 Å²	68	85.7 Å²	85.7	36%	0.356	50%	0.497	S	S	.	.	H	α-helix	trans	-67.2	-37.1	175.7	-72.2	169	0	0	0	111.1	R145 S146 P147 N168	R145-L150 HydrophobicContact CB-CG 4.37Å; S146-L150 PolarHBondContact O-N 3.48Å; P147-L150 PolarHBondContact O-N 3.33Å; L150-N168 WeakPolarHBondContact O-CB 3.33Å
151	V	55.8	Low	63.1	Low	37 Å²	37	79.4 Å²	79.4	22%	0.224	46%	0.462	C	S	.	.	H	α-helix	trans	-68.5	-39.6	-179.7	174.4	0	0	0	0	112.6	P147 K149 C153 N168 L178	P147-V151 WeakPolarHBondContact O-CG2 3.25Å; P147-V151 PolarHBondContact O-N 2.89Å; K149-V151 VanDerWaalsContact C-N 3.32Å; V151-C153 VanDerWaalsContact C-N 3.28Å; V151-C153 PolarHBondContact O-N 3.26Å; V151-N168 PolarHBondContact O-ND2 2.91Å; V151-L178 HydrophobicContact CG1-CD2 3.4Å; V151-L178 VanDerWaalsContact CG1-CD2 3.4Å; V151-L178 HydrophobicContact CG1-CG 4.21Å
152	A	60.7	Low	66.2	Low	59 Å²	59	75.7 Å²	75.7	49%	0.488	45%	0.445	S	S	.	.	H	α-helix	trans	-70.9	-15.5	-175.6	0	0	0	0	0	115	E148	E148-A152 PolarHBondContact O-N 3.1Å
153	C	77	Confident	69.1	Low	103 Å²	103	70.5 Å²	70.5	70%	0.696	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	11.2	-175	-70.4	0	0	0	0	114.4	V151 D155	V151-C153 VanDerWaalsContact C-N 3.28Å; V151-C153 PolarHBondContact O-N 3.26Å; C153-D155 PolarHBondContact O-N 2.69Å
154	Y	93	Very high	72.1	Confident	13 Å²	13	67.9 Å²	67.9	5%	0.051	40%	0.399	C	S	.	.			trans	-73.3	118.5	180	180	-113.7	0	0	0	112.1	P156 Y161 D166 N168 W169 S179 R182 F203	Y154-P156 HydrophobicContact CE1-CB 4.31Å; Y154-P156 HydrophobicContact CE1-CG 3.87Å; Y154-P156 WeakPolarHBondContact OH-CB 3.38Å; Y154-Y161 HydrophobicContact CE2-CE2 4.11Å; Y154-Y161 WeakPolarHBondContact CE2-OH 3.43Å; Y154-D166 VanDerWaalsContact CD2-O 3.28Å; Y154-D166 WeakPolarHBondContact CD2-O 3.44Å; Y154-N168 WeakPolarHBondContact CB-ND2 3.16Å; Y154-W169 HydrophobicContact CE2-CZ3 4.4Å; Y154-S179 VanDerWaalsContact CE1-O 3.28Å; Y154-S179 WeakPolarHBondContact CE1-O 3.37Å; Y154-R182 HydrophobicContact CD1-CB 3.98Å; Y154-F203 WeakPolarHBondContact OH-CD2 3.41Å
155	D	95.6	Very high	75.2	Confident	63 Å²	63	68.4 Å²	68.4	34%	0.337	39%	0.39	S	S	.	.			trans	-135.4	100.6	175.7	-179.8	9.8	0	0	0	111.2	C153 S157 K158	C153-D155 PolarHBondContact O-N 2.69Å; D155-S157 PolarHBondContact O-N 2.93Å; D155-S157 WeakPolarHBondContact OD1-CA 3.36Å; D155-S157 VanDerWaalsContact OD1-CB 3.28Å; D155-S157 WeakPolarHBondContact OD1-CB 3.45Å; D155-S157 PolarHBondContact OD1-N 3.15Å; D155-S157 PolarHBondContact OD1-OG 2.63Å; D155-S157 PolarHBondContact OD2-OG 3.24Å; D155-K158 WeakPolarHBondContact O-CB 3.47Å; D155-K158 PolarHBondContact O-N 3.14Å
156	P	96.3	Very high	78.4	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-8.5	176.5	25.8	-29.5	0	0	0	114	Y154 T183 I199 N202	Y154-P156 HydrophobicContact CE1-CB 4.31Å; Y154-P156 HydrophobicContact CE1-CG 3.87Å; Y154-P156 WeakPolarHBondContact OH-CB 3.38Å; P156-T183 HydrophobicContact CG-CG2 4.27Å; P156-I199 HydrophobicContact CB-CG2 4.08Å; P156-I199 HydrophobicContact CG-CG2 3.97Å; P156-N202 PolarHBondContact O-ND2 2.86Å
157	S	96.2	Very high	81.2	Confident	36 Å²	36	61.8 Å²	61.8	25%	0.252	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-8.8	177.9	79.7	0	0	0	0	113.9	D155 A159 K195	D155-S157 PolarHBondContact O-N 2.93Å; D155-S157 WeakPolarHBondContact OD1-CA 3.36Å; D155-S157 VanDerWaalsContact OD1-CB 3.28Å; D155-S157 WeakPolarHBondContact OD1-CB 3.45Å; D155-S157 PolarHBondContact OD1-N 3.15Å; D155-S157 PolarHBondContact OD1-OG 2.63Å; D155-S157 PolarHBondContact OD2-OG 3.24Å; S157-A159 PolarHBondContact O-N 3.45Å; S157-K195 PolarHBondContact O-NZ 3.22Å
158	K	95.2	Very high	83.6	Confident	91 Å²	91	57.5 Å²	57.5	40%	0.396	33%	0.334	S	S	.	.			trans	-52.3	131.4	-179.4	-173.8	-169.2	172.3	-157.2	0	111.8	D155 G160 Y161 D166	D155-K158 WeakPolarHBondContact O-CB 3.47Å; D155-K158 PolarHBondContact O-N 3.14Å; K158-G160 PolarHBondContact O-N 3.37Å; K158-Y161 WeakPolarHBondContact O-CB 3.32Å; K158-Y161 PolarHBondContact O-N 3.2Å; K158-D166 IonicContact NZ-OD1 2.99Å; K158-D166 PolarHBondContact NZ-OD1 2.87Å; K158-D166 IonicContact NZ-OD2 3.28Å; K158-D166 PolarHBondContact NZ-OD2 3.47Å
159	A	92.5	Very high	85.9	Confident	86 Å²	86	51.9 Å²	51.9	71%	0.711	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	134.5	172.4	0	0	0	0	0	110.8	S157 Y161	S157-A159 PolarHBondContact O-N 3.45Å; A159-Y161 VanDerWaalsContact C-N 3.33Å
160	G	91.4	Very high	88.2	Confident	76 Å²	76	52.5 Å²	52.5	78%	0.784	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.8	29.2	-177.7	0	0	0	0	0	113.9	K158 H162	K158-G160 PolarHBondContact O-N 3.37Å; G160-H162 PolarHBondContact O-N 2.88Å
161	Y	96.2	Very high	90.2	Very high	10 Å²	10	53.4 Å²	53.4	4%	0.039	31%	0.308	C	S	.	.			trans	-50.4	126.7	-178.9	-178.3	-88	0	0	0	113.3	Y154 K158 A159 P163 D166 N202 R205 S206	Y154-Y161 HydrophobicContact CE2-CE2 4.11Å; Y154-Y161 WeakPolarHBondContact CE2-OH 3.43Å; K158-Y161 WeakPolarHBondContact O-CB 3.32Å; K158-Y161 PolarHBondContact O-N 3.2Å; A159-Y161 VanDerWaalsContact C-N 3.33Å; Y161-P163 HydrophobicContact CE1-CB 4.33Å; Y161-D166 WeakPolarHBondContact CA-OD2 3.49Å; Y161-D166 HydrophobicContact CD2-CB 3.66Å; Y161-D166 HydrophobicContact CE2-CB 3.49Å; Y161-D166 VanDerWaalsContact CE2-CB 3.49Å; Y161-D166 HydrophobicContact CG-CB 4.36Å; Y161-N202 WeakPolarHBondContact CB-ND2 3.39Å; Y161-N202 HydrophobicContact CD1-CB 3.45Å; Y161-N202 VanDerWaalsContact CD1-CB 3.45Å; Y161-N202 HydrophobicContact CD2-CB 4.28Å; Y161-N202 HydrophobicContact CE1-CB 3.77Å; Y161-N202 VanDerWaalsContact CE1-O 3.24Å; Y161-N202 WeakPolarHBondContact CE1-O 3.31Å; Y161-N202 HydrophobicContact CG-CB 3.73Å; Y161-R205 PolarHBondContact O-NH1 3.26Å; Y161-S206 VanDerWaalsContact CE1-OG 3.27Å; Y161-S206 WeakPolarHBondContact CE1-OG 3.39Å; Y161-S206 PolarHBondContact OH-OG 3.22Å
162	H	95.7	Very high	92	Very high	62 Å²	62	54.2 Å²	54.2	29%	0.287	32%	0.324	S	S	.	.			trans	-105.5	119.1	176.7	-168.3	-77.4	0	0	0	111.9	G160 I164 H165 D166	G160-H162 PolarHBondContact O-N 2.88Å; H162-I164 PolarHBondContact ND1-N 2.91Å; H162-I164 PolarHBondContact O-N 3.24Å; H162-H165 HydrophobicContact CB-CB 4.13Å; H162-H165 AromaticContact CD2-CD2 3.9Å; H162-H165 AromaticContact CE1-CD2 3.22Å; H162-H165 PolarHBondContact CE1-CD2 3.22Å; H162-H165 AromaticContact CE1-NE2 3.75Å; H162-H165 AromaticContact CG-CD2 3.57Å; H162-H165 AromaticContact ND1-CD2 3.12Å; H162-H165 PolarHBondContact ND1-CD2 3.24Å; H162-H165 AromaticContact ND1-CG 3.66Å; H162-H165 PolarHBondContact ND1-N 2.8Å; H162-H165 AromaticContact NE2-CD2 3.72Å; H162-H165 PolarHBondContact O-N 2.92Å; H162-H165 VanDerWaalsContact O-N 3.14Å; H162-D166 PolarHBondContact N-OD2 3.39Å; H162-D166 WeakPolarHBondContact O-CB 3.31Å; H162-D166 PolarHBondContact O-N 3.21Å
163	P	95.4	Very high	93.7	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-17.3	-168.6	26.9	-35.7	0	0	0	115.6	Y161 R205 S206 L209 I369	Y161-P163 HydrophobicContact CE1-CB 4.33Å; P163-R205 HydrophobicContact CB-CB 3.89Å; P163-R205 HydrophobicContact CG-CB 4.47Å; P163-S206 WeakPolarHBondContact CA-OG 3.24Å; P163-S206 WeakPolarHBondContact O-CB 3.38Å; P163-S206 PolarHBondContact O-OG 2.6Å; P163-L209 HydrophobicContact CB-CD2 4.44Å; P163-L209 HydrophobicContact CG-CD2 4.32Å; P163-I369 HydrophobicContact CG-CG2 3.68Å
164	I	94	Very high	94.8	Very high	58 Å²	58	52.2 Å²	52.2	30%	0.297	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-31.8	175	-54.3	176.5	0	0	0	112.8	H162 C167 L209 L210 I369	H162-I164 PolarHBondContact ND1-N 2.91Å; H162-I164 PolarHBondContact O-N 3.24Å; I164-C167 PolarHBondContact O-SG 3.32Å; I164-L209 HydrophobicContact CD1-CD2 3.83Å; I164-L209 HydrophobicContact CG1-CD2 3.45Å; I164-L209 VanDerWaalsContact CG1-CD2 3.45Å; I164-L210 HydrophobicContact CG1-CD2 4.4Å; I164-I369 HydrophobicContact CD1-CD1 3.71Å; I164-I369 HydrophobicContact CD1-CG1 4.41Å; I164-I369 HydrophobicContact CG1-CD1 4.42Å
165	H	93.7	Very high	95	Very high	107 Å²	107	51.6 Å²	51.6	50%	0.495	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-30.4	-169.1	-66.8	-62.4	0	0	0	111.9	H162	H162-H165 HydrophobicContact CB-CB 4.13Å; H162-H165 AromaticContact CD2-CD2 3.9Å; H162-H165 AromaticContact CE1-CD2 3.22Å; H162-H165 PolarHBondContact CE1-CD2 3.22Å; H162-H165 AromaticContact CE1-NE2 3.75Å; H162-H165 AromaticContact CG-CD2 3.57Å; H162-H165 AromaticContact ND1-CD2 3.12Å; H162-H165 PolarHBondContact ND1-CD2 3.24Å; H162-H165 AromaticContact ND1-CG 3.66Å; H162-H165 PolarHBondContact ND1-N 2.8Å; H162-H165 AromaticContact NE2-CD2 3.72Å; H162-H165 PolarHBondContact O-N 2.92Å; H162-H165 VanDerWaalsContact O-N 3.14Å
166	D	95.4	Very high	95.1	Very high	33 Å²	33	49.6 Å²	49.6	18%	0.176	29%	0.286	C	S	.	.	S	Bend	trans	-95.3	-6.5	-179.5	-66.4	-37.2	0	0	0	112.8	Y154 K158 Y161 H162	Y154-D166 VanDerWaalsContact CD2-O 3.28Å; Y154-D166 WeakPolarHBondContact CD2-O 3.44Å; K158-D166 IonicContact NZ-OD1 2.99Å; K158-D166 PolarHBondContact NZ-OD1 2.87Å; K158-D166 IonicContact NZ-OD2 3.28Å; K158-D166 PolarHBondContact NZ-OD2 3.47Å; Y161-D166 WeakPolarHBondContact CA-OD2 3.49Å; Y161-D166 HydrophobicContact CD2-CB 3.66Å; Y161-D166 HydrophobicContact CE2-CB 3.49Å; Y161-D166 VanDerWaalsContact CE2-CB 3.49Å; Y161-D166 HydrophobicContact CG-CB 4.36Å; H162-D166 PolarHBondContact N-OD2 3.39Å; H162-D166 WeakPolarHBondContact O-CB 3.31Å; H162-D166 PolarHBondContact O-N 3.21Å
167	C	93.7	Very high	95.2	Very high	16 Å²	16	49.7 Å²	49.7	11%	0.108	29%	0.286	C	S	.	.	S	Bend	trans	-77	157.5	169.1	71.5	0	0	0	0	111.5	I164 W169 L210	I164-C167 PolarHBondContact O-SG 3.32Å; C167-W169 HydrophobicContact CB-CD2 4.4Å; C167-W169 HydrophobicContact CB-CE3 4.18Å; C167-W169 HydrophobicContact CB-CH2 4.19Å; C167-W169 HydrophobicContact CB-CZ2 4.43Å; C167-W169 HydrophobicContact CB-CZ3 4.05Å; C167-W169 PolarHBondContact SG-O 3.37Å; C167-L210 HydrophobicContact CB-CD1 4.17Å; C167-L210 WeakPolarHBondContact SG-CD1 3.27Å
168	N	93.6	Very high	95.2	Very high	15 Å²	15	48.2 Å²	48.2	8%	0.08	28%	0.275	C	S	.	.	S	Bend	trans	-110.8	23.7	-177.8	61.7	-17.2	0	0	0	114.1	L150 V151 Y154 S179	L150-N168 WeakPolarHBondContact O-CB 3.33Å; V151-N168 PolarHBondContact O-ND2 2.91Å; Y154-N168 WeakPolarHBondContact CB-ND2 3.16Å; N168-S179 VanDerWaalsContact CG-OG 3.26Å; N168-S179 PolarHBondContact ND2-OG 2.84Å; N168-S179 VanDerWaalsContact ND2-OG 3.08Å; N168-S179 PolarHBondContact OD1-OG 3.46Å
169	W	95.4	Very high	95.3	Very high	15 Å²	15	43.9 Å²	43.9	6%	0.057	26%	0.256	C	S	.	.	S	Bend	trans	-140.4	165.9	173.5	66.4	96.5	0	0	0	111.5	Y154 C167 V175 P176 F203 V207 S211	Y154-W169 HydrophobicContact CE2-CZ3 4.4Å; C167-W169 HydrophobicContact CB-CD2 4.4Å; C167-W169 HydrophobicContact CB-CE3 4.18Å; C167-W169 HydrophobicContact CB-CH2 4.19Å; C167-W169 HydrophobicContact CB-CZ2 4.43Å; C167-W169 HydrophobicContact CB-CZ3 4.05Å; C167-W169 PolarHBondContact SG-O 3.37Å; W169-V175 HydrophobicContact CD2-CG1 4.42Å; W169-V175 HydrophobicContact CE3-CG1 4.31Å; W169-V175 HydrophobicContact CH2-CG1 3.96Å; W169-V175 HydrophobicContact CZ2-CG1 4.03Å; W169-V175 HydrophobicContact CZ2-CG2 4.01Å; W169-V175 HydrophobicContact CZ3-CG1 4.11Å; W169-P176 HydrophobicContact CB-CG 4.06Å; W169-P176 HydrophobicContact CE3-CG 4.46Å; W169-F203 HydrophobicContact CH2-CE2 4.39Å; W169-V207 HydrophobicContact CH2-CG2 4.3Å; W169-V207 HydrophobicContact CZ2-CG2 4Å; W169-S211 VanDerWaalsContact CD1-OG 3.28Å; W169-S211 PolarHBondContact NE1-OG 2.88Å
170	R	94.1	Very high	95.5	Very high	155 Å²	155	39.8 Å²	39.8	59%	0.585	22%	0.222	S	C	*	.			trans	-95.5	159.5	-179.6	-57	-179.5	-176.5	-97.5	-0.8	112	G172 E173	R170-G172 PolarHBondContact O-N 3.18Å; R170-E173 HydrophobicContact CB-CG 4.09Å; R170-E173 PolarHBondContact N-OE2 3.06Å; R170-E173 WeakPolarHBondContact O-CB 3.32Å; R170-E173 PolarHBondContact O-N 3.2Å; R170-E173 VanDerWaalsContact O-N 3.12Å
171	E	93.6	Very high	95.8	Very high	86 Å²	86	36.1 Å²	36.1	40%	0.402	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	133.1	170.4	-172.3	175.7	-151.2	0	0	110.1	E173 L210 K364 R367	E171-E173 VanDerWaalsContact C-N 3.29Å; E171-E173 PolarHBondContact O-N 3.36Å; E171-L210 HydrophobicContact CB-CD2 3.94Å; E171-L210 HydrophobicContact CG-CD2 4.4Å; E171-K364 IonicContact OE1-NZ 3.97Å; E171-K364 PolarHBondContact OE1-NZ 2.81Å; E171-K364 IonicContact OE2-NZ 2.63Å; E171-K364 PolarHBondContact OE2-NZ 3.35Å; E171-R367 IonicContact OE1-CZ 3.31Å; E171-R367 VanDerWaalsContact OE1-CZ 3.29Å; E171-R367 IonicContact OE1-NH1 3.68Å; E171-R367 PolarHBondContact OE1-NH1 3.16Å; E171-R367 IonicContact OE1-NH2 3.37Å; E171-R367 PolarHBondContact OE1-NH2 3.33Å; E171-R367 IonicContact OE2-NH1 2.72Å
172	G	94.1	Very high	95.8	Very high	55 Å²	55	39 Å²	39	57%	0.567	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.3	-12.9	-178.3	0	0	0	0	0	114.9	R170 L210	R170-G172 PolarHBondContact O-N 3.18Å; G172-L210 PolarHBondContact N-O 2.64Å
173	E	96.7	Very high	95.9	Very high	92 Å²	92	36.1 Å²	36.1	43%	0.43	18%	0.182	S	C	.	.	S	Bend	trans	-81.1	148.9	174.3	-65.5	179.1	163.7	0	0	111.3	R170 E171 S211 F213	R170-E173 HydrophobicContact CB-CG 4.09Å; R170-E173 PolarHBondContact N-OE2 3.06Å; R170-E173 WeakPolarHBondContact O-CB 3.32Å; R170-E173 PolarHBondContact O-N 3.2Å; R170-E173 VanDerWaalsContact O-N 3.12Å; E171-E173 VanDerWaalsContact C-N 3.29Å; E171-E173 PolarHBondContact O-N 3.36Å; E173-S211 WeakPolarHBondContact O-CB 3.36Å; E173-S211 PolarHBondContact O-OG 2.98Å; E173-F213 WeakPolarHBondContact O-CZ 3.23Å
174	S	98.2	Very high	96	Very high	27 Å²	27	36.1 Å²	36.1	19%	0.189	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-68.7	138.2	170.2	-179.6	0	0	0	0	109.8	D214 T285 S287	S174-D214 WeakPolarHBondContact CA-OD2 3.39Å; S174-D214 VanDerWaalsContact CB-OD2 3.3Å; S174-D214 WeakPolarHBondContact CB-OD2 3.43Å; S174-D214 PolarHBondContact OG-OD2 3.28Å; S174-T285 WeakPolarHBondContact OG-CB 3.41Å; S174-T285 PolarHBondContact OG-OG1 3.38Å; S174-S287 WeakPolarHBondContact OG-CB 3.1Å; S174-S287 PolarHBondContact OG-N 3.33Å; S174-S287 PolarHBondContact OG-OG 3.29Å
175	V	98.3	Very high	96	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-60.1	127.4	-177.2	-178.2	0	0	0	0	109.1	W169 Y177 F203 V207 D214 T285 I286	W169-V175 HydrophobicContact CD2-CG1 4.42Å; W169-V175 HydrophobicContact CE3-CG1 4.31Å; W169-V175 HydrophobicContact CH2-CG1 3.96Å; W169-V175 HydrophobicContact CZ2-CG1 4.03Å; W169-V175 HydrophobicContact CZ2-CG2 4.01Å; W169-V175 HydrophobicContact CZ3-CG1 4.11Å; V175-Y177 PolarHBondContact O-N 3.4Å; V175-F203 HydrophobicContact CG1-CE2 4.14Å; V175-F203 HydrophobicContact CG1-CZ 4.41Å; V175-V207 HydrophobicContact CG1-CG2 4.42Å; V175-V207 HydrophobicContact CG2-CB 4.48Å; V175-V207 HydrophobicContact CG2-CG1 4.04Å; V175-V207 HydrophobicContact CG2-CG2 3.96Å; V175-D214 HydrophobicContact CG2-CB 3.9Å; V175-D214 PolarHBondContact N-OD2 3.05Å; V175-T285 CarbonylContact O-C 3.53Å; V175-T285 VanDerWaalsContact O-CA 3.31Å; V175-T285 WeakPolarHBondContact O-CA 3.49Å; V175-I286 HydrophobicContact CB-CB 4.26Å; V175-I286 HydrophobicContact CB-CG1 3.69Å; V175-I286 HydrophobicContact CG1-CG1 3.94Å; V175-I286 WeakPolarHBondContact O-CG1 3.29Å; V175-I286 PolarHBondContact O-N 3.35Å
176	P	97.8	Very high	96.2	Very high	22 Å²	22	32.8 Å²	32.8	14%	0.143	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-59.2	132.8	172.8	-21.9	32.2	0	0	0	110.4	W169 L178 S179	W169-P176 HydrophobicContact CB-CG 4.06Å; W169-P176 HydrophobicContact CE3-CG 4.46Å; P176-L178 PolarHBondContact O-N 2.85Å; P176-S179 WeakPolarHBondContact O-CB 3.43Å; P176-S179 PolarHBondContact O-N 3.33Å; P176-S179 PolarHBondContact O-OG 3.07Å
177	Y	97.8	Very high	96.3	Very high	1 Å²	1	31.2 Å²	31.2	0%	0.004	16%	0.16	C	C	.	.	H	α-helix	trans	-62.7	-32.6	179.2	-178.3	-97.4	0	0	0	111.2	V175 S179 L180 A181 L221 L284 I286 V289 E323 I327	V175-Y177 PolarHBondContact O-N 3.4Å; Y177-S179 PolarHBondContact O-N 2.91Å; Y177-L180 HydrophobicContact CD2-CD2 4.47Å; Y177-L180 HydrophobicContact CE2-CD2 4.18Å; Y177-L180 PolarHBondContact O-N 3.23Å; Y177-L180 VanDerWaalsContact O-N 3.1Å; Y177-A181 HydrophobicContact CE1-CB 4.43Å; Y177-A181 PolarHBondContact O-N 3.08Å; Y177-L221 HydrophobicContact CE2-CD1 4.42Å; Y177-L284 PolarHBondContact N-O 3.47Å; Y177-I286 HydrophobicContact CD2-CD1 3.97Å; Y177-V289 HydrophobicContact CD2-CB 3.98Å; Y177-V289 HydrophobicContact CD2-CG1 3.88Å; Y177-V289 HydrophobicContact CD2-CG2 3.88Å; Y177-V289 HydrophobicContact CE2-CB 4.42Å; Y177-V289 HydrophobicContact CE2-CG1 3.8Å; Y177-V289 HydrophobicContact CG-CB 4.48Å; Y177-V289 HydrophobicContact CG-CG2 3.87Å; Y177-E323 HydrophobicContact CD1-CB 3.92Å; Y177-E323 HydrophobicContact CD1-CG 3.7Å; Y177-E323 HydrophobicContact CE1-CB 4.01Å; Y177-E323 HydrophobicContact CE1-CG 4.21Å; Y177-I327 HydrophobicContact CD1-CD1 4.13Å; Y177-I327 HydrophobicContact CD1-CG1 4.34Å; Y177-I327 HydrophobicContact CE1-CD1 3.77Å; Y177-I327 HydrophobicContact CE1-CG1 3.52Å; Y177-I327 PolarHBondContact OH-N 2.95Å
178	L	95.8	Very high	96.3	Very high	5 Å²	5	33.5 Å²	33.5	3%	0.026	17%	0.169	C	C	.	.	H	α-helix	trans	-56	-33.1	172.6	-177	53	0	0	0	112.8	V151 P176 A181 R182 R320 E321 E323	V151-L178 HydrophobicContact CG1-CD2 3.4Å; V151-L178 VanDerWaalsContact CG1-CD2 3.4Å; V151-L178 HydrophobicContact CG1-CG 4.21Å; P176-L178 PolarHBondContact O-N 2.85Å; L178-A181 HydrophobicContact CD1-CB 4.47Å; L178-A181 PolarHBondContact O-N 3.4Å; L178-R182 HydrophobicContact CD1-CG 4.15Å; L178-R182 HydrophobicContact CG-CG 4.48Å; L178-R182 WeakPolarHBondContact O-CB 3.3Å; L178-R182 VanDerWaalsContact O-CG 3.29Å; L178-R182 WeakPolarHBondContact O-CG 3.36Å; L178-R182 PolarHBondContact O-N 3.45Å; L178-R320 HydrophobicContact CD2-CB 4.26Å; L178-E321 HydrophobicContact CD1-CB 4.02Å; L178-E323 WeakPolarHBondContact CA-OE1 3.47Å; L178-E323 HydrophobicContact CB-CG 3.96Å; L178-E323 WeakPolarHBondContact CB-OE1 3.38Å; L178-E323 HydrophobicContact CD1-CG 3.92Å; L178-E323 PolarHBondContact N-OE1 3.36Å
179	S	97.7	Very high	96.4	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-65	-46.1	176.1	-49.4	0	0	0	0	110.9	Y154 N168 P176 Y177 A181 R182 T183	Y154-S179 VanDerWaalsContact CE1-O 3.28Å; Y154-S179 WeakPolarHBondContact CE1-O 3.37Å; N168-S179 VanDerWaalsContact CG-OG 3.26Å; N168-S179 PolarHBondContact ND2-OG 2.84Å; N168-S179 VanDerWaalsContact ND2-OG 3.08Å; N168-S179 PolarHBondContact OD1-OG 3.46Å; P176-S179 WeakPolarHBondContact O-CB 3.43Å; P176-S179 PolarHBondContact O-N 3.33Å; P176-S179 PolarHBondContact O-OG 3.07Å; Y177-S179 PolarHBondContact O-N 2.91Å; S179-A181 PolarHBondContact O-N 3.35Å; S179-R182 PolarHBondContact O-N 2.89Å; S179-T183 PolarHBondContact O-N 3.39Å; S179-T183 PolarHBondContact O-OG1 2.61Å
180	L	98.1	Very high	96.4	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-63.3	-41.3	173.2	178.7	66.6	0	0	0	112.1	Y177 R182 T183 F184 F203 L221 I286	Y177-L180 HydrophobicContact CD2-CD2 4.47Å; Y177-L180 HydrophobicContact CE2-CD2 4.18Å; Y177-L180 PolarHBondContact O-N 3.23Å; Y177-L180 VanDerWaalsContact O-N 3.1Å; L180-R182 VanDerWaalsContact C-N 3.3Å; L180-R182 PolarHBondContact O-N 3.42Å; L180-T183 WeakPolarHBondContact O-CB 3.2Å; L180-T183 PolarHBondContact O-N 3.34Å; L180-T183 VanDerWaalsContact O-N 3.17Å; L180-F184 HydrophobicContact CD1-CD1 4.18Å; L180-F184 HydrophobicContact CD1-CE1 3.55Å; L180-F184 HydrophobicContact CD1-CE2 4.18Å; L180-F184 HydrophobicContact CD1-CZ 3.55Å; L180-F184 HydrophobicContact CD2-CE2 3.9Å; L180-F184 HydrophobicContact CD2-CZ 3.75Å; L180-F184 HydrophobicContact CG-CD2 4.26Å; L180-F184 HydrophobicContact CG-CE1 4.03Å; L180-F184 HydrophobicContact CG-CE2 3.72Å; L180-F184 HydrophobicContact CG-CZ 3.6Å; L180-F184 WeakPolarHBondContact O-CG 3.48Å; L180-F184 PolarHBondContact O-N 2.87Å; L180-F203 HydrophobicContact CB-CE2 4.38Å; L180-F203 HydrophobicContact CB-CZ 4.01Å; L180-F203 HydrophobicContact CD1-CD1 4.4Å; L180-F203 HydrophobicContact CD1-CE1 3.6Å; L180-F203 HydrophobicContact CD1-CE2 4.47Å; L180-F203 HydrophobicContact CD1-CZ 3.64Å; L180-F203 HydrophobicContact CG-CZ 4.41Å; L180-L221 HydrophobicContact CD2-CB 3.71Å; L180-L221 HydrophobicContact CD2-CD1 3.77Å; L180-L221 HydrophobicContact CD2-CG 4.37Å; L180-I286 HydrophobicContact CB-CD1 3.85Å; L180-I286 HydrophobicContact CD2-CD1 3.45Å; L180-I286 VanDerWaalsContact CD2-CD1 3.45Å; L180-I286 HydrophobicContact CG-CD1 4.26Å
181	A	96.3	Very high	96.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-60.2	-39.7	176.5	0	0	0	0	0	112	Y177 L178 S179 F184 E185 E323 Y326	Y177-A181 HydrophobicContact CE1-CB 4.43Å; Y177-A181 PolarHBondContact O-N 3.08Å; L178-A181 HydrophobicContact CD1-CB 4.47Å; L178-A181 PolarHBondContact O-N 3.4Å; S179-A181 PolarHBondContact O-N 3.35Å; A181-F184 PolarHBondContact O-N 3.3Å; A181-E185 PolarHBondContact O-N 2.94Å; A181-E323 HydrophobicContact CB-CG 4.16Å; A181-Y326 HydrophobicContact CB-CD2 3.74Å; A181-Y326 HydrophobicContact CB-CE2 4.36Å; A181-Y326 WeakPolarHBondContact O-CE2 3.42Å
182	R	95.7	Very high	96.2	Very high	71 Å²	71	34.2 Å²	34.2	27%	0.268	22%	0.22	S	C	.	.	H	α-helix	trans	-67.3	-40.3	173.2	-72.3	-67	-177.5	176.9	-0.7	112	Y154 L178 S179 L180 F184 E185 C186 E321	Y154-R182 HydrophobicContact CD1-CB 3.98Å; L178-R182 HydrophobicContact CD1-CG 4.15Å; L178-R182 HydrophobicContact CG-CG 4.48Å; L178-R182 WeakPolarHBondContact O-CB 3.3Å; L178-R182 VanDerWaalsContact O-CG 3.29Å; L178-R182 WeakPolarHBondContact O-CG 3.36Å; L178-R182 PolarHBondContact O-N 3.45Å; S179-R182 PolarHBondContact O-N 2.89Å; L180-R182 VanDerWaalsContact C-N 3.3Å; L180-R182 PolarHBondContact O-N 3.42Å; R182-F184 VanDerWaalsContact C-N 3.3Å; R182-F184 PolarHBondContact O-N 2.94Å; R182-E185 WeakPolarHBondContact CD-OE2 3.47Å; R182-E185 IonicContact CZ-OE2 3.27Å; R182-E185 IonicContact NE-OE2 3.15Å; R182-E185 IonicContact NH1-OE2 3.63Å; R182-E185 PolarHBondContact NH1-OE2 3.35Å; R182-E185 PolarHBondContact O-N 3.25Å; R182-E185 VanDerWaalsContact O-N 3.16Å; R182-C186 PolarHBondContact O-N 3.33Å; R182-C186 PolarHBondContact O-SG 3.31Å; R182-C186 VanDerWaalsContact O-SG 3.34Å; R182-E321 IonicContact CZ-OE2 3.97Å; R182-E321 VanDerWaalsContact CZ-OE2 3.27Å; R182-E321 IonicContact NE-OE2 2.78Å; R182-E321 PolarHBondContact NE-OE2 2.96Å; R182-E321 VanDerWaalsContact NE-OE2 3.15Å; R182-E321 IonicContact NH2-OE1 3.98Å; R182-E321 IonicContact NH2-OE2 2.71Å; R182-E321 PolarHBondContact NH2-OE2 2.83Å
183	T	98.1	Very high	96.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-56.8	-44.6	171	-51.4	0	0	0	0	111.4	P156 S179 L180 E185 C186 I187 I199 L200 F203	P156-T183 HydrophobicContact CG-CG2 4.27Å; S179-T183 PolarHBondContact O-N 3.39Å; S179-T183 PolarHBondContact O-OG1 2.61Å; L180-T183 WeakPolarHBondContact O-CB 3.2Å; L180-T183 PolarHBondContact O-N 3.34Å; L180-T183 VanDerWaalsContact O-N 3.17Å; T183-E185 PolarHBondContact O-N 3.17Å; T183-C186 PolarHBondContact O-N 3.09Å; T183-I187 HydrophobicContact CG2-CD1 4.01Å; T183-I187 VanDerWaalsContact O-CG1 3.28Å; T183-I187 WeakPolarHBondContact O-CG1 3.44Å; T183-I187 PolarHBondContact O-N 3.29Å; T183-I199 HydrophobicContact CG2-CG2 4Å; T183-L200 HydrophobicContact CG2-CD1 4.36Å; T183-F203 HydrophobicContact CG2-CB 3.85Å; T183-F203 HydrophobicContact CG2-CD1 4.43Å; T183-F203 HydrophobicContact CG2-CG 4.06Å; T183-F203 WeakPolarHBondContact OG1-CD2 3.46Å
184	F	97.7	Very high	96.3	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-64.3	-37.3	176.1	-67.3	-19.7	0	0	0	113.3	L180 A181 R182 I187 E188 C222 Y326 L335 I337	L180-F184 HydrophobicContact CD1-CD1 4.18Å; L180-F184 HydrophobicContact CD1-CE1 3.55Å; L180-F184 HydrophobicContact CD1-CE2 4.18Å; L180-F184 HydrophobicContact CD1-CZ 3.55Å; L180-F184 HydrophobicContact CD2-CE2 3.9Å; L180-F184 HydrophobicContact CD2-CZ 3.75Å; L180-F184 HydrophobicContact CG-CD2 4.26Å; L180-F184 HydrophobicContact CG-CE1 4.03Å; L180-F184 HydrophobicContact CG-CE2 3.72Å; L180-F184 HydrophobicContact CG-CZ 3.6Å; L180-F184 WeakPolarHBondContact O-CG 3.48Å; L180-F184 PolarHBondContact O-N 2.87Å; A181-F184 PolarHBondContact O-N 3.3Å; R182-F184 VanDerWaalsContact C-N 3.3Å; R182-F184 PolarHBondContact O-N 2.94Å; F184-I187 PolarHBondContact O-N 3.49Å; F184-E188 VanDerWaalsContact O-CB 3.28Å; F184-E188 WeakPolarHBondContact O-CB 3.34Å; F184-E188 PolarHBondContact O-N 3.39Å; F184-C222 HydrophobicContact CE1-CB 4.37Å; F184-Y326 HydrophobicContact CB-CD1 3.78Å; F184-Y326 HydrophobicContact CB-CD2 4.15Å; F184-Y326 HydrophobicContact CB-CE1 3.51Å; F184-Y326 HydrophobicContact CB-CE2 3.88Å; F184-Y326 HydrophobicContact CB-CG 4.11Å; F184-Y326 AromaticContact CD2-CD1 3.71Å; F184-Y326 HydrophobicContact CD2-CD1 3.71Å; F184-Y326 HydrophobicContact CD2-CD2 4.29Å; F184-Y326 HydrophobicContact CD2-CE1 4.35Å; F184-Y326 AromaticContact CD2-CG 3.71Å; F184-Y326 HydrophobicContact CD2-CG 3.71Å; F184-Y326 HydrophobicContact CG-CD1 4.18Å; F184-Y326 HydrophobicContact CG-CE1 4.37Å; F184-Y326 HydrophobicContact CG-CG 4.43Å; F184-L335 HydrophobicContact CD2-CD1 4.21Å; F184-L335 HydrophobicContact CD2-CD2 4.47Å; F184-L335 HydrophobicContact CE1-CD2 4.14Å; F184-L335 HydrophobicContact CE2-CD1 4.02Å; F184-L335 HydrophobicContact CE2-CD2 4Å; F184-L335 HydrophobicContact CZ-CD2 3.81Å; F184-I337 HydrophobicContact CB-CD1 4.28Å; F184-I337 HydrophobicContact CB-CG2 4.34Å; F184-I337 HydrophobicContact CD1-CD1 3.43Å; F184-I337 VanDerWaalsContact CD1-CD1 3.43Å; F184-I337 HydrophobicContact CE1-CD1 3.85Å; F184-I337 HydrophobicContact CG-CD1 3.93Å
185	E	94.8	Very high	96.2	Very high	68 Å²	68	44.1 Å²	44.1	32%	0.318	24%	0.244	S	C	.	.	H	α-helix	trans	-64.8	-45	176.1	-171.9	169.7	-134	0	0	111.8	A181 R182 T183 I187 E188 A189 Y326	A181-E185 PolarHBondContact O-N 2.94Å; R182-E185 WeakPolarHBondContact CD-OE2 3.47Å; R182-E185 IonicContact CZ-OE2 3.27Å; R182-E185 IonicContact NE-OE2 3.15Å; R182-E185 IonicContact NH1-OE2 3.63Å; R182-E185 PolarHBondContact NH1-OE2 3.35Å; R182-E185 PolarHBondContact O-N 3.25Å; R182-E185 VanDerWaalsContact O-N 3.16Å; T183-E185 PolarHBondContact O-N 3.17Å; E185-I187 VanDerWaalsContact C-N 3.35Å; E185-I187 PolarHBondContact O-N 3.26Å; E185-E188 PolarHBondContact O-N 2.9Å; E185-A189 WeakPolarHBondContact O-CB 3.41Å; E185-A189 PolarHBondContact O-N 3.43Å; E185-Y326 WeakPolarHBondContact CA-OH 3.26Å; E185-Y326 HydrophobicContact CB-CE2 4.31Å; E185-Y326 PolarHBondContact N-OH 3.16Å
186	C	96.7	Very high	96.2	Very high	27 Å²	27	44.7 Å²	44.7	18%	0.182	25%	0.247	C	C	.	.	H	α-helix	trans	-60.8	-42.9	173.5	-65.2	0	0	0	0	111.9	R182 T183 A189 T190 I199	R182-C186 PolarHBondContact O-N 3.33Å; R182-C186 PolarHBondContact O-SG 3.31Å; R182-C186 VanDerWaalsContact O-SG 3.34Å; T183-C186 PolarHBondContact O-N 3.09Å; C186-A189 PolarHBondContact O-N 3.36Å; C186-T190 WeakPolarHBondContact O-CB 3.44Å; C186-T190 PolarHBondContact O-N 2.88Å; C186-T190 PolarHBondContact O-OG1 2.83Å; C186-I199 HydrophobicContact CB-CD1 4.09Å; C186-I199 HydrophobicContact CB-CG2 3.97Å
187	I	97.6	Very high	96.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-64.3	-47.7	177.8	-71.8	168.2	0	0	0	110.9	T183 F184 E185 A189 T190 I196 I199 L200 I337 L339	T183-I187 HydrophobicContact CG2-CD1 4.01Å; T183-I187 VanDerWaalsContact O-CG1 3.28Å; T183-I187 WeakPolarHBondContact O-CG1 3.44Å; T183-I187 PolarHBondContact O-N 3.29Å; F184-I187 PolarHBondContact O-N 3.49Å; E185-I187 VanDerWaalsContact C-N 3.35Å; E185-I187 PolarHBondContact O-N 3.26Å; I187-A189 VanDerWaalsContact C-N 3.26Å; I187-A189 PolarHBondContact O-N 2.67Å; I187-T190 PolarHBondContact O-N 3.5Å; I187-T190 VanDerWaalsContact O-O 3.13Å; I187-I196 HydrophobicContact CG1-CG2 4.19Å; I187-I196 HydrophobicContact CG2-CD1 4.47Å; I187-I196 HydrophobicContact CG2-CG1 4.29Å; I187-I196 HydrophobicContact CG2-CG2 3.84Å; I187-I199 HydrophobicContact CG1-CB 4.43Å; I187-I199 HydrophobicContact CG1-CG2 3.92Å; I187-L200 HydrophobicContact CD1-CB 4.34Å; I187-L200 HydrophobicContact CD1-CD1 4.45Å; I187-I337 HydrophobicContact CG2-CB 4.36Å; I187-I337 HydrophobicContact CG2-CD1 4.32Å; I187-I337 HydrophobicContact CG2-CG1 4.47Å; I187-I337 WeakPolarHBondContact CG2-O 3.21Å; I187-L339 HydrophobicContact CD1-CD2 4.37Å; I187-L339 HydrophobicContact CG2-CB 4.39Å
188	E	94.5	Very high	96.2	Very high	64 Å²	64	47.3 Å²	47.3	30%	0.299	26%	0.258	S	S	.	.	H	α-helix	trans	-63.2	-32.6	-179.5	-176.3	176.9	-178.2	0	0	112.5	F184 E185 T190 K325 Y326 R329 I337	F184-E188 VanDerWaalsContact O-CB 3.28Å; F184-E188 WeakPolarHBondContact O-CB 3.34Å; F184-E188 PolarHBondContact O-N 3.39Å; E185-E188 PolarHBondContact O-N 2.9Å; E188-T190 VanDerWaalsContact C-N 3.28Å; E188-K325 WeakPolarHBondContact OE1-CE 3.46Å; E188-K325 IonicContact OE1-NZ 3.13Å; E188-K325 PolarHBondContact OE1-NZ 3.29Å; E188-K325 VanDerWaalsContact OE2-CE 3.28Å; E188-K325 WeakPolarHBondContact OE2-CE 3.26Å; E188-K325 IonicContact OE2-NZ 3.58Å; E188-K325 PolarHBondContact OE2-NZ 2.92Å; E188-Y326 PolarHBondContact OE2-OH 2.82Å; E188-R329 VanDerWaalsContact CD-NH1 3.25Å; E188-R329 IonicContact OE1-CZ 3.77Å; E188-R329 IonicContact OE1-NH1 2.62Å; E188-R329 PolarHBondContact OE1-NH1 3.02Å; E188-R329 IonicContact OE1-NH2 3.99Å; E188-R329 PolarHBondContact OE1-NH2 3.21Å; E188-R329 IonicContact OE2-CZ 2.67Å; E188-R329 IonicContact OE2-NH1 2.98Å; E188-R329 PolarHBondContact OE2-NH1 3.07Å; E188-I337 HydrophobicContact CB-CB 4.34Å; E188-I337 HydrophobicContact CB-CG2 4.2Å
189	A	94.6	Very high	96.4	Very high	89 Å²	89	47.1 Å²	47.1	74%	0.736	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-10.4	174.7	0	0	0	0	0	113.7	E185 C186 I187	E185-A189 WeakPolarHBondContact O-CB 3.41Å; E185-A189 PolarHBondContact O-N 3.43Å; C186-A189 PolarHBondContact O-N 3.36Å; I187-A189 VanDerWaalsContact C-N 3.26Å; I187-A189 PolarHBondContact O-N 2.67Å
190	T	95.9	Very high	96.4	Very high	36 Å²	36	47.1 Å²	47.1	22%	0.221	26%	0.257	C	S	.	.			trans	-103.6	128.7	-175.2	-60.4	0	0	0	0	111	C186 I187 E188 K195 I196	C186-T190 WeakPolarHBondContact O-CB 3.44Å; C186-T190 PolarHBondContact O-N 2.88Å; C186-T190 PolarHBondContact O-OG1 2.83Å; I187-T190 PolarHBondContact O-N 3.5Å; I187-T190 VanDerWaalsContact O-O 3.13Å; E188-T190 VanDerWaalsContact C-N 3.28Å; T190-K195 HydrophobicContact CG2-CB 3.7Å; T190-K195 HydrophobicContact CG2-CG 3.79Å; T190-I196 HydrophobicContact CG2-CG1 3.79Å
191	S	91	Very high	96.4	Very high	128 Å²	128	47.2 Å²	47.2	90%	0.895	26%	0.258	S	S	*	.			trans	-90.2	-26.7	177.5	56.6	0	0	0	0	114.1
192	G	93.3	Very high	96.5	Very high	34 Å²	34	47.7 Å²	47.7	35%	0.351	26%	0.26	S	S	.	.			trans	-86.3	122.7	-174.7	0	0	0	0	0	113.7	I194 K195 I196	G192-I194 VanDerWaalsContact C-N 3.27Å; G192-I194 PolarHBondContact O-N 3.4Å; G192-K195 PolarHBondContact O-N 3.44Å; G192-K195 VanDerWaalsContact O-N 3.12Å; G192-I196 WeakPolarHBondContact O-CG1 3.33Å; G192-I196 PolarHBondContact O-N 2.92Å
193	R	95.4	Very high	96.7	Very high	166 Å²	166	44.3 Å²	44.3	63%	0.626	25%	0.247	S	C	*	.	H	α-helix	trans	-55.3	-38.3	179.4	-174	-179	-70.3	173.9	-3.9	113.3	I196 T197	R193-I196 PolarHBondContact O-N 2.85Å; R193-T197 WeakPolarHBondContact O-CB 3.43Å; R193-T197 PolarHBondContact O-N 3.06Å; R193-T197 PolarHBondContact O-OG1 3.49Å
194	I	96.2	Very high	96.7	Very high	147 Å²	147	44.3 Å²	44.3	75%	0.754	25%	0.247	S	C	*	.	H	α-helix	trans	-60.9	-49.7	178.3	-64.9	171.5	0	0	0	110.1	G192 T197 E198	G192-I194 VanDerWaalsContact C-N 3.27Å; G192-I194 PolarHBondContact O-N 3.4Å; I194-T197 WeakPolarHBondContact O-CB 3.38Å; I194-T197 PolarHBondContact O-N 3Å; I194-T197 VanDerWaalsContact O-N 3.17Å; I194-E198 PolarHBondContact O-N 2.86Å
195	K	97.3	Very high	96.7	Very high	68 Å²	68	44.8 Å²	44.8	30%	0.296	25%	0.249	S	C	.	.	H	α-helix	trans	-69.2	-36.5	-179.8	-173.8	60.7	179.1	-178.6	0	112.5	S157 T190 G192 T197 E198 I199	S157-K195 PolarHBondContact O-NZ 3.22Å; T190-K195 HydrophobicContact CG2-CB 3.7Å; T190-K195 HydrophobicContact CG2-CG 3.79Å; G192-K195 PolarHBondContact O-N 3.44Å; G192-K195 VanDerWaalsContact O-N 3.12Å; K195-T197 VanDerWaalsContact C-N 3.28Å; K195-T197 PolarHBondContact O-N 3.11Å; K195-E198 HydrophobicContact CD-CB 4.44Å; K195-E198 WeakPolarHBondContact CD-OE2 3.33Å; K195-E198 IonicContact NZ-OE1 2.78Å; K195-E198 PolarHBondContact NZ-OE1 2.85Å; K195-E198 IonicContact NZ-OE2 3.92Å; K195-E198 PolarHBondContact NZ-OE2 3.04Å; K195-E198 PolarHBondContact O-N 3.49Å; K195-I199 HydrophobicContact CG-CD1 4.1Å; K195-I199 WeakPolarHBondContact O-CD1 3.19Å; K195-I199 VanDerWaalsContact O-CG1 3.26Å; K195-I199 WeakPolarHBondContact O-CG1 3.46Å; K195-I199 PolarHBondContact O-N 3.12Å
196	I	98.2	Very high	96.9	Very high	13 Å²	13	41.5 Å²	41.5	7%	0.067	23%	0.234	C	C	.	.	H	α-helix	trans	-56.9	-44.9	170.3	-68.4	172.6	0	0	0	110.6	I187 T190 G192 R193 I199 L200 L339 T343	I187-I196 HydrophobicContact CG1-CG2 4.19Å; I187-I196 HydrophobicContact CG2-CD1 4.47Å; I187-I196 HydrophobicContact CG2-CG1 4.29Å; I187-I196 HydrophobicContact CG2-CG2 3.84Å; T190-I196 HydrophobicContact CG2-CG1 3.79Å; G192-I196 WeakPolarHBondContact O-CG1 3.33Å; G192-I196 PolarHBondContact O-N 2.92Å; R193-I196 PolarHBondContact O-N 2.85Å; I196-I199 PolarHBondContact O-N 3.27Å; I196-L200 PolarHBondContact O-N 3.44Å; I196-L200 VanDerWaalsContact O-N 3.09Å; I196-L339 HydrophobicContact CG2-CD1 3.92Å; I196-T343 HydrophobicContact CG2-CG2 3.79Å
197	T	98.1	Very high	96.9	Very high	9 Å²	9	40.2 Å²	40.2	6%	0.055	23%	0.225	C	C	.	.	H	α-helix	trans	-63.3	-44.2	179.5	-51.6	0	0	0	0	110.8	R193 I194 K195 L200 C201 T346 A347	R193-T197 WeakPolarHBondContact O-CB 3.43Å; R193-T197 PolarHBondContact O-N 3.06Å; R193-T197 PolarHBondContact O-OG1 3.49Å; I194-T197 WeakPolarHBondContact O-CB 3.38Å; I194-T197 PolarHBondContact O-N 3Å; I194-T197 VanDerWaalsContact O-N 3.17Å; K195-T197 VanDerWaalsContact C-N 3.28Å; K195-T197 PolarHBondContact O-N 3.11Å; T197-L200 PolarHBondContact O-N 3.4Å; T197-C201 WeakPolarHBondContact O-CB 3.44Å; T197-C201 PolarHBondContact O-N 3.29Å; T197-T346 HydrophobicContact CG2-CG2 3.71Å; T197-A347 HydrophobicContact CG2-CB 3.99Å
198	E	97.9	Very high	96.9	Very high	69 Å²	69	40.3 Å²	40.3	32%	0.322	23%	0.226	S	C	.	.	H	α-helix	trans	-60.2	-48.1	176.9	-171.4	-161.4	140.1	0	0	112.2	I194 K195 L200 C201 N202	I194-E198 PolarHBondContact O-N 2.86Å; K195-E198 HydrophobicContact CD-CB 4.44Å; K195-E198 WeakPolarHBondContact CD-OE2 3.33Å; K195-E198 IonicContact NZ-OE1 2.78Å; K195-E198 PolarHBondContact NZ-OE1 2.85Å; K195-E198 IonicContact NZ-OE2 3.92Å; K195-E198 PolarHBondContact NZ-OE2 3.04Å; K195-E198 PolarHBondContact O-N 3.49Å; E198-L200 VanDerWaalsContact C-N 3.32Å; E198-L200 PolarHBondContact O-N 3.37Å; E198-C201 WeakPolarHBondContact O-CB 3.38Å; E198-C201 PolarHBondContact O-N 3.44Å; E198-N202 PolarHBondContact O-N 3.01Å; E198-N202 PolarHBondContact O-ND2 3.31Å
199	I	98.5	Very high	96.9	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-56.7	-47.3	177.4	-70.4	162.4	0	0	0	110.7	P156 T183 C186 I187 K195 I196 N202 F203	P156-I199 HydrophobicContact CB-CG2 4.08Å; P156-I199 HydrophobicContact CG-CG2 3.97Å; T183-I199 HydrophobicContact CG2-CG2 4Å; C186-I199 HydrophobicContact CB-CD1 4.09Å; C186-I199 HydrophobicContact CB-CG2 3.97Å; I187-I199 HydrophobicContact CG1-CB 4.43Å; I187-I199 HydrophobicContact CG1-CG2 3.92Å; K195-I199 HydrophobicContact CG-CD1 4.1Å; K195-I199 WeakPolarHBondContact O-CD1 3.19Å; K195-I199 VanDerWaalsContact O-CG1 3.26Å; K195-I199 WeakPolarHBondContact O-CG1 3.46Å; K195-I199 PolarHBondContact O-N 3.12Å; I196-I199 PolarHBondContact O-N 3.27Å; I199-N202 PolarHBondContact O-N 3.16Å; I199-F203 PolarHBondContact O-N 2.86Å
200	L	98.6	Very high	96.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-71.7	-35.9	-179	-173.7	60.7	0	0	0	112.2	T183 I187 I196 T197 E198 F203 F204 L339 V344 A347	T183-L200 HydrophobicContact CG2-CD1 4.36Å; I187-L200 HydrophobicContact CD1-CB 4.34Å; I187-L200 HydrophobicContact CD1-CD1 4.45Å; I196-L200 PolarHBondContact O-N 3.44Å; I196-L200 VanDerWaalsContact O-N 3.09Å; T197-L200 PolarHBondContact O-N 3.4Å; E198-L200 VanDerWaalsContact C-N 3.32Å; E198-L200 PolarHBondContact O-N 3.37Å; L200-F203 HydrophobicContact CD1-CD1 4.12Å; L200-F203 PolarHBondContact O-N 3.45Å; L200-F204 HydrophobicContact CD1-CD2 4.43Å; L200-F204 HydrophobicContact CD1-CE1 4.03Å; L200-F204 HydrophobicContact CD1-CE2 3.93Å; L200-F204 HydrophobicContact CD1-CZ 3.69Å; L200-F204 HydrophobicContact CD2-CE2 3.8Å; L200-F204 HydrophobicContact CD2-CZ 4.05Å; L200-F204 HydrophobicContact CG-CD2 4Å; L200-F204 HydrophobicContact CG-CE2 3.56Å; L200-F204 HydrophobicContact CG-CZ 3.86Å; L200-F204 PolarHBondContact O-N 3.3Å; L200-L339 HydrophobicContact CD2-CD1 3.84Å; L200-L339 HydrophobicContact CD2-CD2 4.05Å; L200-V344 HydrophobicContact CD2-CB 4.33Å; L200-V344 HydrophobicContact CD2-CG2 3.93Å; L200-A347 HydrophobicContact CB-CB 3.78Å; L200-A347 HydrophobicContact CD2-CB 3.83Å; L200-A347 HydrophobicContact CG-CB 3.76Å
201	C	98.5	Very high	97	Very high	3 Å²	3	32.1 Å²	32.1	2%	0.02	17%	0.17	C	C	.	.	H	α-helix	trans	-58	-49.1	173.2	174.3	0	0	0	0	110.3	T197 E198 F203 F204 R205 A347 Q350 A351	T197-C201 WeakPolarHBondContact O-CB 3.44Å; T197-C201 PolarHBondContact O-N 3.29Å; E198-C201 WeakPolarHBondContact O-CB 3.38Å; E198-C201 PolarHBondContact O-N 3.44Å; C201-F203 VanDerWaalsContact C-N 3.33Å; C201-F203 PolarHBondContact O-N 3.1Å; C201-F204 PolarHBondContact O-N 3Å; C201-F204 VanDerWaalsContact O-N 3.16Å; C201-R205 VanDerWaalsContact O-CG 3.28Å; C201-R205 WeakPolarHBondContact O-CG 3.48Å; C201-R205 PolarHBondContact O-N 2.96Å; C201-A347 HydrophobicContact CB-CB 4.37Å; C201-Q350 HydrophobicContact CB-CB 4.35Å; C201-A351 PolarHBondContact SG-N 3.37Å; C201-A351 VanDerWaalsContact SG-N 3.43Å
202	N	98.5	Very high	97.2	Very high	9 Å²	9	28.4 Å²	28.4	5%	0.048	14%	0.144	C	C	.	.	H	α-helix	trans	-57.6	-43.7	177	-75.2	-21.5	0	0	0	112.9	P156 Y161 E198 I199 R205 S206	P156-N202 PolarHBondContact O-ND2 2.86Å; Y161-N202 WeakPolarHBondContact CB-ND2 3.39Å; Y161-N202 HydrophobicContact CD1-CB 3.45Å; Y161-N202 VanDerWaalsContact CD1-CB 3.45Å; Y161-N202 HydrophobicContact CD2-CB 4.28Å; Y161-N202 HydrophobicContact CE1-CB 3.77Å; Y161-N202 VanDerWaalsContact CE1-O 3.24Å; Y161-N202 WeakPolarHBondContact CE1-O 3.31Å; Y161-N202 HydrophobicContact CG-CB 3.73Å; E198-N202 PolarHBondContact O-N 3.01Å; E198-N202 PolarHBondContact O-ND2 3.31Å; I199-N202 PolarHBondContact O-N 3.16Å; N202-R205 PolarHBondContact OD1-NH1 3.35Å; N202-S206 PolarHBondContact O-N 3.28Å; N202-S206 PolarHBondContact O-OG 3.46Å
203	F	98.6	Very high	97.4	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-59.8	-52.5	173.3	175.1	-109.9	0	0	0	111.3	Y154 W169 V175 L180 T183 I199 L200 C201 R205 S206 V207 C218	Y154-F203 WeakPolarHBondContact OH-CD2 3.41Å; W169-F203 HydrophobicContact CH2-CE2 4.39Å; V175-F203 HydrophobicContact CG1-CE2 4.14Å; V175-F203 HydrophobicContact CG1-CZ 4.41Å; L180-F203 HydrophobicContact CB-CE2 4.38Å; L180-F203 HydrophobicContact CB-CZ 4.01Å; L180-F203 HydrophobicContact CD1-CD1 4.4Å; L180-F203 HydrophobicContact CD1-CE1 3.6Å; L180-F203 HydrophobicContact CD1-CE2 4.47Å; L180-F203 HydrophobicContact CD1-CZ 3.64Å; L180-F203 HydrophobicContact CG-CZ 4.41Å; T183-F203 HydrophobicContact CG2-CB 3.85Å; T183-F203 HydrophobicContact CG2-CD1 4.43Å; T183-F203 HydrophobicContact CG2-CG 4.06Å; T183-F203 WeakPolarHBondContact OG1-CD2 3.46Å; I199-F203 PolarHBondContact O-N 2.86Å; L200-F203 HydrophobicContact CD1-CD1 4.12Å; L200-F203 PolarHBondContact O-N 3.45Å; C201-F203 VanDerWaalsContact C-N 3.33Å; C201-F203 PolarHBondContact O-N 3.1Å; F203-R205 VanDerWaalsContact C-N 3.35Å; F203-R205 PolarHBondContact O-N 3.33Å; F203-S206 WeakPolarHBondContact O-CB 3.15Å; F203-S206 PolarHBondContact O-N 3.06Å; F203-S206 VanDerWaalsContact O-N 3.1Å; F203-V207 HydrophobicContact CD1-CG2 4.33Å; F203-V207 HydrophobicContact CD2-CG2 4.09Å; F203-V207 HydrophobicContact CE1-CG2 3.96Å; F203-V207 HydrophobicContact CE2-CG2 3.7Å; F203-V207 HydrophobicContact CG-CG2 4.4Å; F203-V207 HydrophobicContact CZ-CG2 3.63Å; F203-V207 WeakPolarHBondContact O-CG2 3.25Å; F203-V207 PolarHBondContact O-N 3.46Å; F203-C218 HydrophobicContact CE1-CB 3.9Å; F203-C218 HydrophobicContact CZ-CB 4.22Å
204	F	98.7	Very high	97.6	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-62.6	-35.6	179.7	-70.7	-28.5	0	0	0	113.9	L200 C201 S206 V207 G208 L215 V219 V344 A347 L348 A351	L200-F204 HydrophobicContact CD1-CD2 4.43Å; L200-F204 HydrophobicContact CD1-CE1 4.03Å; L200-F204 HydrophobicContact CD1-CE2 3.93Å; L200-F204 HydrophobicContact CD1-CZ 3.69Å; L200-F204 HydrophobicContact CD2-CE2 3.8Å; L200-F204 HydrophobicContact CD2-CZ 4.05Å; L200-F204 HydrophobicContact CG-CD2 4Å; L200-F204 HydrophobicContact CG-CE2 3.56Å; L200-F204 HydrophobicContact CG-CZ 3.86Å; L200-F204 PolarHBondContact O-N 3.3Å; C201-F204 PolarHBondContact O-N 3Å; C201-F204 VanDerWaalsContact O-N 3.16Å; F204-S206 VanDerWaalsContact C-N 3.27Å; F204-S206 PolarHBondContact O-N 3.33Å; F204-V207 PolarHBondContact O-N 3.28Å; F204-G208 PolarHBondContact O-N 2.84Å; F204-L215 HydrophobicContact CD1-CD1 3.85Å; F204-L215 HydrophobicContact CE1-CD1 4.47Å; F204-L215 HydrophobicContact CG-CD1 4.39Å; F204-V219 HydrophobicContact CE1-CG2 3.75Å; F204-V219 HydrophobicContact CE2-CG2 4.43Å; F204-V219 HydrophobicContact CZ-CG2 3.7Å; F204-V344 HydrophobicContact CE2-CG1 4.08Å; F204-V344 HydrophobicContact CZ-CG1 4.01Å; F204-A347 HydrophobicContact CD2-CB 4.2Å; F204-A347 HydrophobicContact CE2-CB 4.24Å; F204-L348 HydrophobicContact CD2-CB 4.19Å; F204-L348 HydrophobicContact CD2-CD1 4.31Å; F204-L348 HydrophobicContact CE2-CB 4.29Å; F204-A351 HydrophobicContact CB-CB 3.81Å
205	R	98	Very high	97.7	Very high	10 Å²	10	17.1 Å²	17.1	4%	0.038	9%	0.085	C	C	.	.	H	α-helix	trans	-56.8	-42.8	173	-71.6	171.3	66.6	-149.1	3.3	111.4	Y161 P163 C201 N202 F203 L209 A351 T355 I369	Y161-R205 PolarHBondContact O-NH1 3.26Å; P163-R205 HydrophobicContact CB-CB 3.89Å; P163-R205 HydrophobicContact CG-CB 4.47Å; C201-R205 VanDerWaalsContact O-CG 3.28Å; C201-R205 WeakPolarHBondContact O-CG 3.48Å; C201-R205 PolarHBondContact O-N 2.96Å; N202-R205 PolarHBondContact OD1-NH1 3.35Å; F203-R205 VanDerWaalsContact C-N 3.35Å; F203-R205 PolarHBondContact O-N 3.33Å; R205-L209 WeakPolarHBondContact O-CB 3.45Å; R205-L209 PolarHBondContact O-N 3.36Å; R205-A351 HydrophobicContact CG-CB 3.77Å; R205-T355 PolarHBondContact NE-OG1 3.13Å; R205-I369 PolarHBondContact NH2-O 3.32Å
206	S	98	Very high	97.7	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-71	-44.9	179.9	-45.6	0	0	0	0	111.5	Y161 P163 N202 F203 F204 L209 L210	Y161-S206 VanDerWaalsContact CE1-OG 3.27Å; Y161-S206 WeakPolarHBondContact CE1-OG 3.39Å; Y161-S206 PolarHBondContact OH-OG 3.22Å; P163-S206 WeakPolarHBondContact CA-OG 3.24Å; P163-S206 WeakPolarHBondContact O-CB 3.38Å; P163-S206 PolarHBondContact O-OG 2.6Å; N202-S206 PolarHBondContact O-N 3.28Å; N202-S206 PolarHBondContact O-OG 3.46Å; F203-S206 WeakPolarHBondContact O-CB 3.15Å; F203-S206 PolarHBondContact O-N 3.06Å; F203-S206 VanDerWaalsContact O-N 3.1Å; F204-S206 VanDerWaalsContact C-N 3.27Å; F204-S206 PolarHBondContact O-N 3.33Å; S206-L209 PolarHBondContact O-N 2.83Å; S206-L210 WeakPolarHBondContact O-CB 3.29Å; S206-L210 WeakPolarHBondContact O-CG 3.42Å; S206-L210 PolarHBondContact O-N 2.61Å
207	V	98.3	Very high	97.7	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-65.1	-49.2	-179.8	179.9	0	0	0	0	111.2	W169 V175 F203 F204 L209 S211 S212 L215	W169-V207 HydrophobicContact CH2-CG2 4.3Å; W169-V207 HydrophobicContact CZ2-CG2 4Å; V175-V207 HydrophobicContact CG1-CG2 4.42Å; V175-V207 HydrophobicContact CG2-CB 4.48Å; V175-V207 HydrophobicContact CG2-CG1 4.04Å; V175-V207 HydrophobicContact CG2-CG2 3.96Å; F203-V207 HydrophobicContact CD1-CG2 4.33Å; F203-V207 HydrophobicContact CD2-CG2 4.09Å; F203-V207 HydrophobicContact CE1-CG2 3.96Å; F203-V207 HydrophobicContact CE2-CG2 3.7Å; F203-V207 HydrophobicContact CG-CG2 4.4Å; F203-V207 HydrophobicContact CZ-CG2 3.63Å; F203-V207 WeakPolarHBondContact O-CG2 3.25Å; F203-V207 PolarHBondContact O-N 3.46Å; F204-V207 PolarHBondContact O-N 3.28Å; V207-L209 PolarHBondContact O-N 3.45Å; V207-S211 CarbonylContact O-C 3.53Å; V207-S211 WeakPolarHBondContact O-CA 3.41Å; V207-S211 PolarHBondContact O-N 2.89Å; V207-S212 PolarHBondContact O-N 2.8Å; V207-S212 VanDerWaalsContact O-N 3.15Å; V207-L215 HydrophobicContact CB-CD1 4.22Å; V207-L215 HydrophobicContact CG1-CB 3.91Å; V207-L215 HydrophobicContact CG1-CD1 3.96Å
208	G	96.6	Very high	97.8	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.01	8%	0.08	C	C	.	.	H	α-helix	trans	-61	-32.1	179.8	0	0	0	0	0	113.1	F204	F204-G208 PolarHBondContact O-N 2.84Å
209	L	94.6	Very high	97.8	Very high	6 Å²	6	11.8 Å²	11.8	3%	0.031	6%	0.064	C	C	.	.	H	α-helix	trans	-82.4	-42.4	-178.9	-164.9	69.2	0	0	0	114	P163 I164 R205 S206 V207 T355 R367 I369	P163-L209 HydrophobicContact CB-CD2 4.44Å; P163-L209 HydrophobicContact CG-CD2 4.32Å; I164-L209 HydrophobicContact CD1-CD2 3.83Å; I164-L209 HydrophobicContact CG1-CD2 3.45Å; I164-L209 VanDerWaalsContact CG1-CD2 3.45Å; R205-L209 WeakPolarHBondContact O-CB 3.45Å; R205-L209 PolarHBondContact O-N 3.36Å; S206-L209 PolarHBondContact O-N 2.83Å; V207-L209 PolarHBondContact O-N 3.45Å; L209-T355 HydrophobicContact CD1-CG2 3.98Å; L209-T355 HydrophobicContact CD2-CG2 4.47Å; L209-R367 HydrophobicContact CD1-CG 3.74Å; L209-I369 HydrophobicContact CD1-CD1 4.28Å; L209-I369 HydrophobicContact CD2-CD1 3.64Å
210	L	95.4	Very high	97.8	Very high	11 Å²	11	11.9 Å²	11.9	6%	0.058	7%	0.065	C	C	.	.	H	α-helix	trans	-103.5	-27.5	-169	-58.3	178	0	0	0	113.2	I164 C167 E171 G172 S206	I164-L210 HydrophobicContact CG1-CD2 4.4Å; C167-L210 HydrophobicContact CB-CD1 4.17Å; C167-L210 WeakPolarHBondContact SG-CD1 3.27Å; E171-L210 HydrophobicContact CB-CD2 3.94Å; E171-L210 HydrophobicContact CG-CD2 4.4Å; G172-L210 PolarHBondContact N-O 2.64Å; S206-L210 WeakPolarHBondContact O-CB 3.29Å; S206-L210 WeakPolarHBondContact O-CG 3.42Å; S206-L210 PolarHBondContact O-N 2.61Å
211	S	97.2	Very high	97.7	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.065	C	C	.	.			trans	-147.6	50.9	-169.3	-48.5	0	0	0	0	110.7	W169 E173 V207 F213 D214	W169-S211 VanDerWaalsContact CD1-OG 3.28Å; W169-S211 PolarHBondContact NE1-OG 2.88Å; E173-S211 WeakPolarHBondContact O-CB 3.36Å; E173-S211 PolarHBondContact O-OG 2.98Å; V207-S211 CarbonylContact O-C 3.53Å; V207-S211 WeakPolarHBondContact O-CA 3.41Å; V207-S211 PolarHBondContact O-N 2.89Å; S211-F213 PolarHBondContact O-N 2.94Å; S211-D214 PolarHBondContact O-N 2.82Å
212	S	96.2	Very high	97.7	Very high	51 Å²	51	12 Å²	12	36%	0.357	7%	0.065	S	C	.	.	H	α-helix	trans	-54.2	-30.1	-173.8	55.6	0	0	0	0	113.8	V207 D214 L215	V207-S212 PolarHBondContact O-N 2.8Å; V207-S212 VanDerWaalsContact O-N 3.15Å; S212-D214 PolarHBondContact O-N 2.99Å; S212-L215 VanDerWaalsContact O-CB 3.29Å; S212-L215 WeakPolarHBondContact O-CB 3.46Å; S212-L215 PolarHBondContact O-N 3.27Å; S212-L215 VanDerWaalsContact O-N 3.16Å
213	F	97.1	Very high	97.6	Very high	109 Å²	109	12.8 Å²	12.8	48%	0.478	7%	0.069	S	C	.	.	H	α-helix	trans	-64.5	-22.7	175.3	59.8	-94.8	0	0	0	114.2	E173 S211	E173-F213 WeakPolarHBondContact O-CZ 3.23Å; S211-F213 PolarHBondContact O-N 2.94Å
214	D	98.5	Very high	97.4	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-91.8	-11.5	175.1	-87.7	-28.6	0	0	0	112.9	S174 V175 S211 S212 T216 S217 C218 I286 S287	S174-D214 WeakPolarHBondContact CA-OD2 3.39Å; S174-D214 VanDerWaalsContact CB-OD2 3.3Å; S174-D214 WeakPolarHBondContact CB-OD2 3.43Å; S174-D214 PolarHBondContact OG-OD2 3.28Å; V175-D214 HydrophobicContact CG2-CB 3.9Å; V175-D214 PolarHBondContact N-OD2 3.05Å; S211-D214 PolarHBondContact O-N 2.82Å; S212-D214 PolarHBondContact O-N 2.99Å; D214-T216 VanDerWaalsContact C-N 3.35Å; D214-T216 PolarHBondContact O-N 3.27Å; D214-S217 WeakPolarHBondContact O-CB 3.38Å; D214-S217 PolarHBondContact O-N 3.44Å; D214-S217 VanDerWaalsContact O-N 3.13Å; D214-C218 PolarHBondContact O-N 3.24Å; D214-C218 PolarHBondContact O-SG 3.14Å; D214-I286 HydrophobicContact CB-CB 4.34Å; D214-I286 HydrophobicContact CB-CG2 4.02Å; D214-S287 PolarHBondContact OD1-N 2.99Å; D214-S287 PolarHBondContact OD1-OG 3.37Å
215	L	98.5	Very high	97.2	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-58.2	-43.5	-172.9	-177.4	57	0	0	0	112.7	F204 V207 S212 C218 V219 F357 I405	F204-L215 HydrophobicContact CD1-CD1 3.85Å; F204-L215 HydrophobicContact CE1-CD1 4.47Å; F204-L215 HydrophobicContact CG-CD1 4.39Å; V207-L215 HydrophobicContact CB-CD1 4.22Å; V207-L215 HydrophobicContact CG1-CB 3.91Å; V207-L215 HydrophobicContact CG1-CD1 3.96Å; S212-L215 VanDerWaalsContact O-CB 3.29Å; S212-L215 WeakPolarHBondContact O-CB 3.46Å; S212-L215 PolarHBondContact O-N 3.27Å; S212-L215 VanDerWaalsContact O-N 3.16Å; L215-C218 WeakPolarHBondContact O-CB 3.24Å; L215-C218 PolarHBondContact O-N 3.12Å; L215-V219 HydrophobicContact CD1-CG2 4.45Å; L215-V219 WeakPolarHBondContact O-CG2 3.49Å; L215-V219 PolarHBondContact O-N 3.45Å; L215-F357 HydrophobicContact CD2-CD2 3.77Å; L215-F357 HydrophobicContact CD2-CE2 3.53Å; L215-F357 HydrophobicContact CD2-CZ 4.35Å; L215-I405 HydrophobicContact CB-CG2 4.17Å; L215-I405 HydrophobicContact CD2-CG2 3.75Å; L215-I405 HydrophobicContact CG-CD1 4.29Å; L215-I405 HydrophobicContact CG-CG2 3.97Å
216	T	98.4	Very high	97.1	Very high	31 Å²	31	16 Å²	16	19%	0.19	8%	0.083	C	C	.	.	H	α-helix	trans	-61.4	-46.1	176.5	-57.2	0	0	0	0	112.1	D214 C218 V219 Y220 I405	D214-T216 VanDerWaalsContact C-N 3.35Å; D214-T216 PolarHBondContact O-N 3.27Å; T216-C218 VanDerWaalsContact C-N 3.34Å; T216-C218 PolarHBondContact O-N 3.44Å; T216-V219 PolarHBondContact O-N 2.92Å; T216-Y220 HydrophobicContact CG2-CD2 3.71Å; T216-Y220 HydrophobicContact CG2-CE2 3.44Å; T216-Y220 VanDerWaalsContact CG2-CE2 3.44Å; T216-Y220 WeakPolarHBondContact O-CD2 3.09Å; T216-Y220 PolarHBondContact O-N 3.45Å; T216-I405 VanDerWaalsContact CA-CD1 3.47Å; T216-I405 HydrophobicContact CG2-CD1 4.4Å
217	S	98.5	Very high	97	Very high	17 Å²	17	16.2 Å²	16.2	12%	0.119	9%	0.086	C	C	.	.	H	α-helix	trans	-61.7	-42.4	176.3	-58	0	0	0	0	111.5	D214 Y220 L221 I286 F290	D214-S217 WeakPolarHBondContact O-CB 3.38Å; D214-S217 PolarHBondContact O-N 3.44Å; D214-S217 VanDerWaalsContact O-N 3.13Å; S217-Y220 PolarHBondContact O-N 3.22Å; S217-L221 WeakPolarHBondContact O-CB 3.26Å; S217-L221 VanDerWaalsContact O-CG 3.24Å; S217-L221 WeakPolarHBondContact O-CG 3.48Å; S217-L221 PolarHBondContact O-N 3.49Å; S217-I286 VanDerWaalsContact CB-CG2 3.47Å; S217-F290 VanDerWaalsContact OG-CD1 3.28Å; S217-F290 WeakPolarHBondContact OG-CD1 3.35Å
218	C	98.7	Very high	96.8	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-58.7	-48.2	175	-76.9	0	0	0	0	112.3	F203 D214 L215 T216 L221 C222	F203-C218 HydrophobicContact CE1-CB 3.9Å; F203-C218 HydrophobicContact CZ-CB 4.22Å; D214-C218 PolarHBondContact O-N 3.24Å; D214-C218 PolarHBondContact O-SG 3.14Å; L215-C218 WeakPolarHBondContact O-CB 3.24Å; L215-C218 PolarHBondContact O-N 3.12Å; T216-C218 VanDerWaalsContact C-N 3.34Å; T216-C218 PolarHBondContact O-N 3.44Å; C218-L221 PolarHBondContact O-N 3.1Å; C218-C222 PolarHBondContact O-N 2.87Å; C218-C222 PolarHBondContact O-SG 3.29Å
219	V	98.4	Very high	96.6	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-61.2	-45.6	178	169.3	0	0	0	0	111.1	F204 L215 T216 L221 C222 L223 V344 Y401 I405	F204-V219 HydrophobicContact CE1-CG2 3.75Å; F204-V219 HydrophobicContact CE2-CG2 4.43Å; F204-V219 HydrophobicContact CZ-CG2 3.7Å; L215-V219 HydrophobicContact CD1-CG2 4.45Å; L215-V219 WeakPolarHBondContact O-CG2 3.49Å; L215-V219 PolarHBondContact O-N 3.45Å; T216-V219 PolarHBondContact O-N 2.92Å; V219-L221 PolarHBondContact O-N 3Å; V219-C222 WeakPolarHBondContact O-CB 3.32Å; V219-C222 PolarHBondContact O-N 2.83Å; V219-L223 HydrophobicContact CG1-CD1 4.27Å; V219-L223 WeakPolarHBondContact O-CG 3.4Å; V219-L223 PolarHBondContact O-N 2.62Å; V219-V344 HydrophobicContact CG1-CG1 4.06Å; V219-Y401 HydrophobicContact CG1-CD1 3.51Å; V219-Y401 HydrophobicContact CG1-CD2 4.13Å; V219-Y401 HydrophobicContact CG1-CE1 3.82Å; V219-Y401 HydrophobicContact CG1-CE2 4.4Å; V219-Y401 HydrophobicContact CG1-CG 3.68Å; V219-I405 HydrophobicContact CB-CD1 4.1Å; V219-I405 HydrophobicContact CG2-CD1 3.85Å
220	Y	97.8	Very high	96.6	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.008	10%	0.104	C	C	.	.	H	α-helix	trans	-63.5	-41.3	177	-79.6	-54.2	0	0	0	112.7	T216 S217 C222 L223 N224 R225 G227 P228 F290 Y401 S402	T216-Y220 HydrophobicContact CG2-CD2 3.71Å; T216-Y220 HydrophobicContact CG2-CE2 3.44Å; T216-Y220 VanDerWaalsContact CG2-CE2 3.44Å; T216-Y220 WeakPolarHBondContact O-CD2 3.09Å; T216-Y220 PolarHBondContact O-N 3.45Å; S217-Y220 PolarHBondContact O-N 3.22Å; Y220-C222 PolarHBondContact O-N 2.98Å; Y220-L223 CarbonylContact O-C 3.59Å; Y220-L223 PolarHBondContact O-N 3.35Å; Y220-L223 VanDerWaalsContact O-N 3.14Å; Y220-N224 PolarHBondContact O-N 3.14Å; Y220-R225 CarbonylContact C-O 3.59Å; Y220-R225 WeakPolarHBondContact CB-O 3.27Å; Y220-R225 HydrophobicContact CD1-CB 4.07Å; Y220-R225 PolarHBondContact O-N 2.89Å; Y220-G227 VanDerWaalsContact CE1-O 3.3Å; Y220-G227 WeakPolarHBondContact CE1-O 3.49Å; Y220-P228 WeakPolarHBondContact OH-CD 3.18Å; Y220-F290 AromaticContact CD2-CZ 3.95Å; Y220-F290 HydrophobicContact CD2-CZ 3.95Å; Y220-F290 HydrophobicContact CG-CZ 4.23Å; Y220-Y401 HydrophobicContact CD1-CD2 4.24Å; Y220-Y401 AromaticContact CE1-CD2 3.73Å; Y220-Y401 HydrophobicContact CE1-CD2 3.73Å; Y220-Y401 HydrophobicContact CE1-CG 4.43Å; Y220-S402 PolarHBondContact OH-OG 2.89Å
221	L	97.9	Very high	96.5	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.01	12%	0.124	C	C	.	.	H	α-helix	trans	-64.3	-37.8	175.5	-71.6	169.4	0	0	0	112.3	Y177 L180 S217 C218 V219 L223 N224 I286 F290 L293	Y177-L221 HydrophobicContact CE2-CD1 4.42Å; L180-L221 HydrophobicContact CD2-CB 3.71Å; L180-L221 HydrophobicContact CD2-CD1 3.77Å; L180-L221 HydrophobicContact CD2-CG 4.37Å; S217-L221 WeakPolarHBondContact O-CB 3.26Å; S217-L221 VanDerWaalsContact O-CG 3.24Å; S217-L221 WeakPolarHBondContact O-CG 3.48Å; S217-L221 PolarHBondContact O-N 3.49Å; C218-L221 PolarHBondContact O-N 3.1Å; V219-L221 PolarHBondContact O-N 3Å; L221-L223 PolarHBondContact O-N 2.97Å; L221-N224 PolarHBondContact O-N 3.3Å; L221-I286 HydrophobicContact CD1-CD1 3.65Å; L221-I286 HydrophobicContact CD1-CG2 4.2Å; L221-F290 HydrophobicContact CD1-CD2 4.29Å; L221-F290 HydrophobicContact CD2-CD2 3.99Å; L221-F290 HydrophobicContact CG-CD2 3.85Å; L221-F290 HydrophobicContact CG-CE2 4.41Å; L221-L293 HydrophobicContact CD2-CD1 3.77Å
222	C	98.1	Very high	96	Very high	4 Å²	4	25.2 Å²	25.2	3%	0.027	14%	0.141	C	C	.	.	H	α-helix	trans	-59.9	-34.4	173.1	-68.2	0	0	0	0	112.3	F184 C218 V219 Y220 N224 L339 V344	F184-C222 HydrophobicContact CE1-CB 4.37Å; C218-C222 PolarHBondContact O-N 2.87Å; C218-C222 PolarHBondContact O-SG 3.29Å; V219-C222 WeakPolarHBondContact O-CB 3.32Å; V219-C222 PolarHBondContact O-N 2.83Å; Y220-C222 PolarHBondContact O-N 2.98Å; C222-N224 VanDerWaalsContact C-N 3.33Å; C222-L339 HydrophobicContact CB-CD2 3.89Å; C222-V344 HydrophobicContact CB-CG2 4.25Å
223	L	95.8	Very high	95.6	Very high	25 Å²	25	26.1 Å²	26.1	13%	0.131	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-1.3	177.1	-61.9	173	0	0	0	113.3	V219 Y220 L221 R225 E341 V344 Y401	V219-L223 HydrophobicContact CG1-CD1 4.27Å; V219-L223 WeakPolarHBondContact O-CG 3.4Å; V219-L223 PolarHBondContact O-N 2.62Å; Y220-L223 CarbonylContact O-C 3.59Å; Y220-L223 PolarHBondContact O-N 3.35Å; Y220-L223 VanDerWaalsContact O-N 3.14Å; L221-L223 PolarHBondContact O-N 2.97Å; L223-R225 HydrophobicContact CB-CG 4.2Å; L223-R225 PolarHBondContact O-N 3.25Å; L223-E341 HydrophobicContact CD1-CG 4.34Å; L223-E341 HydrophobicContact CD2-CB 3.83Å; L223-E341 HydrophobicContact CD2-CG 3.84Å; L223-V344 HydrophobicContact CD2-CB 4.15Å; L223-V344 HydrophobicContact CD2-CG1 4.48Å; L223-V344 HydrophobicContact CD2-CG2 3.69Å; L223-V344 HydrophobicContact CG-CG2 4.33Å; L223-Y401 HydrophobicContact CD1-CD2 3.99Å; L223-Y401 HydrophobicContact CD1-CE1 4.43Å; L223-Y401 HydrophobicContact CD1-CE2 3.15Å; L223-Y401 VanDerWaalsContact CD1-CZ 3.44Å; L223-Y401 WeakPolarHBondContact CD1-OH 3.35Å
224	N	95.3	Very high	95.1	Very high	18 Å²	18	24.5 Å²	24.5	10%	0.096	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	52	41.4	-171.5	-159.5	44.9	0	0	0	114	Y220 L221 C222 S330 G333 K334 L335	Y220-N224 PolarHBondContact O-N 3.14Å; L221-N224 PolarHBondContact O-N 3.3Å; C222-N224 VanDerWaalsContact C-N 3.33Å; N224-S330 WeakPolarHBondContact OD1-CA 3.42Å; N224-S330 VanDerWaalsContact OD1-CB 3.26Å; N224-S330 WeakPolarHBondContact OD1-CB 3.06Å; N224-S330 PolarHBondContact OD1-OG 3.39Å; N224-G333 WeakPolarHBondContact ND2-CA 3.42Å; N224-G333 PolarHBondContact ND2-O 2.71Å; N224-K334 PolarHBondContact ND2-N 3.32Å; N224-L335 HydrophobicContact CB-CB 4.03Å
225	R	94.8	Very high	94.6	Very high	46 Å²	46	25.8 Å²	25.8	17%	0.174	14%	0.141	C	C	.	.			trans	-118.5	165.7	176.3	-63	-178	-168.2	159.7	7.5	109.6	Y220 L223 E341	Y220-R225 CarbonylContact C-O 3.59Å; Y220-R225 WeakPolarHBondContact CB-O 3.27Å; Y220-R225 HydrophobicContact CD1-CB 4.07Å; Y220-R225 PolarHBondContact O-N 2.89Å; L223-R225 HydrophobicContact CB-CG 4.2Å; L223-R225 PolarHBondContact O-N 3.25Å; R225-E341 IonicContact CZ-OE1 2.72Å; R225-E341 IonicContact NH1-OE1 3.02Å; R225-E341 PolarHBondContact NH1-OE1 3.44Å; R225-E341 IonicContact NH2-OE1 3.05Å; R225-E341 PolarHBondContact NH2-OE1 2.84Å; R225-E341 IonicContact NH2-OE2 2.83Å
226	L	95.2	Very high	94	Very high	12 Å²	12	27.4 Å²	27.4	6%	0.063	16%	0.158	C	C	.	.	S	Bend	trans	-117.1	0.6	175.9	-60.2	178.3	0	0	0	113.1	M233 L235 F290 L293 K294 A297	L226-M233 HydrophobicContact CB-CG 4.16Å; L226-M233 HydrophobicContact CB-SD 3.54Å; L226-M233 VanDerWaalsContact CB-SD 3.54Å; L226-M233 HydrophobicContact CD1-CG 4.2Å; L226-M233 HydrophobicContact CD1-SD 3.95Å; L226-M233 HydrophobicContact CG-SD 4.43Å; L226-L235 HydrophobicContact CD1-CD2 3.75Å; L226-L235 HydrophobicContact CD1-CG 3.98Å; L226-F290 HydrophobicContact CD2-CD2 4.14Å; L226-F290 HydrophobicContact CD2-CE2 3.88Å; L226-F290 WeakPolarHBondContact O-CZ 3.43Å; L226-L293 HydrophobicContact CD1-CB 4.25Å; L226-L293 WeakPolarHBondContact CD1-O 3.14Å; L226-L293 HydrophobicContact CD2-CB 3.62Å; L226-L293 HydrophobicContact CD2-CD1 4.2Å; L226-K294 HydrophobicContact CB-CG 4.36Å; L226-K294 WeakPolarHBondContact O-CE 3.38Å; L226-A297 HydrophobicContact CD1-CB 3.67Å
227	G	95.3	Very high	93.4	Very high	6 Å²	6	27 Å²	27	6%	0.062	16%	0.156	C	C	.	.	S	Bend	trans	177.4	179.1	-175	0	0	0	0	0	109.3	Y220	Y220-G227 VanDerWaalsContact CE1-O 3.3Å; Y220-G227 WeakPolarHBondContact CE1-O 3.49Å
228	P	95.1	Very high	92.8	Very high	5 Å²	5	28 Å²	28	3%	0.032	17%	0.169	C	C	.	.			trans	-63.5	156.7	171.9	30.9	-34	0	0	0	111.1	Y220 Y230 E231	Y220-P228 WeakPolarHBondContact OH-CD 3.18Å; P228-Y230 HydrophobicContact CB-CD1 3.74Å; P228-Y230 HydrophobicContact CB-CE1 3.3Å; P228-Y230 HydrophobicContact CB-CE2 4.25Å; P228-Y230 HydrophobicContact CB-CG 4.38Å; P228-Y230 HydrophobicContact CG-CD1 4.2Å; P228-Y230 HydrophobicContact CG-CD2 4.23Å; P228-Y230 HydrophobicContact CG-CE1 3.64Å; P228-Y230 HydrophobicContact CG-CE2 3.65Å; P228-Y230 HydrophobicContact CG-CG 4.48Å; P228-Y230 PolarHBondContact O-N 3.4Å; P228-E231 VanDerWaalsContact CD-CD 3.48Å; P228-E231 HydrophobicContact CG-CB 4.37Å; P228-E231 HydrophobicContact CG-CG 3.83Å; P228-E231 PolarHBondContact O-N 3.41Å
229	A	92	Very high	92.2	Very high	30 Å²	30	31.9 Å²	31.9	25%	0.248	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-61.5	-32.7	-173	0	0	0	0	0	113.3	E231 G232 Q479	A229-E231 VanDerWaalsContact C-N 3.29Å; A229-E231 PolarHBondContact O-N 3.34Å; A229-G232 PolarHBondContact O-N 2.89Å; A229-G232 VanDerWaalsContact O-N 3.08Å; A229-Q479 CarbonylContact C-O 3.56Å; A229-Q479 HydrophobicContact CB-CB 4.15Å
230	Y	94.5	Very high	91.6	Very high	33 Å²	33	35.8 Å²	35.8	13%	0.129	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-71.4	-20.5	-178.2	59.4	-102.3	0	0	0	113.7	P228 G232 D400 I426 P427 Q479 D481	P228-Y230 HydrophobicContact CB-CD1 3.74Å; P228-Y230 HydrophobicContact CB-CE1 3.3Å; P228-Y230 HydrophobicContact CB-CE2 4.25Å; P228-Y230 HydrophobicContact CB-CG 4.38Å; P228-Y230 HydrophobicContact CG-CD1 4.2Å; P228-Y230 HydrophobicContact CG-CD2 4.23Å; P228-Y230 HydrophobicContact CG-CE1 3.64Å; P228-Y230 HydrophobicContact CG-CE2 3.65Å; P228-Y230 HydrophobicContact CG-CG 4.48Å; P228-Y230 PolarHBondContact O-N 3.4Å; Y230-G232 PolarHBondContact O-N 3.07Å; Y230-D400 PolarHBondContact OH-OD2 2.96Å; Y230-I426 HydrophobicContact CE1-CG2 3.83Å; Y230-P427 HydrophobicContact CD1-CG 3.88Å; Y230-P427 HydrophobicContact CG-CG 4.1Å; Y230-Q479 WeakPolarHBondContact CA-O 3.41Å; Y230-Q479 WeakPolarHBondContact CB-O 3.3Å; Y230-Q479 PolarHBondContact N-O 3.34Å; Y230-Q479 VanDerWaalsContact N-O 3.12Å; Y230-D481 WeakPolarHBondContact O-CB 3.42Å
231	E	93	Very high	91.1	Very high	104 Å²	104	37.1 Å²	37.1	49%	0.486	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-73.5	-13.2	170.8	-76.5	178.9	-164.3	0	0	112.6	P228 A229 M233	P228-E231 VanDerWaalsContact CD-CD 3.48Å; P228-E231 HydrophobicContact CG-CB 4.37Å; P228-E231 HydrophobicContact CG-CG 3.83Å; P228-E231 PolarHBondContact O-N 3.41Å; A229-E231 VanDerWaalsContact C-N 3.29Å; A229-E231 PolarHBondContact O-N 3.34Å; E231-M233 PolarHBondContact O-N 2.97Å; E231-M233 VanDerWaalsContact O-N 3.07Å
232	G	86.7	Confident	90.7	Very high	34 Å²	34	37.1 Å²	37.1	35%	0.351	22%	0.218	S	C	.	.			trans	63.6	18.9	171.1	0	0	0	0	0	115.5	A229 Y230 E234	A229-G232 PolarHBondContact O-N 2.89Å; A229-G232 VanDerWaalsContact O-N 3.08Å; Y230-G232 PolarHBondContact O-N 3.07Å; G232-E234 PolarHBondContact O-N 3.17Å
233	M	88.7	Confident	90.2	Very high	70 Å²	70	37.1 Å²	37.1	35%	0.345	22%	0.217	S	C	.	.			trans	-70.9	111.3	-175.3	-170	175.5	-63.8	0	0	111.8	L226 E231 K294 A297	L226-M233 HydrophobicContact CB-CG 4.16Å; L226-M233 HydrophobicContact CB-SD 3.54Å; L226-M233 VanDerWaalsContact CB-SD 3.54Å; L226-M233 HydrophobicContact CD1-CG 4.2Å; L226-M233 HydrophobicContact CD1-SD 3.95Å; L226-M233 HydrophobicContact CG-SD 4.43Å; E231-M233 PolarHBondContact O-N 2.97Å; E231-M233 VanDerWaalsContact O-N 3.07Å; M233-K294 HydrophobicContact SD-CB 4.43Å; M233-K294 HydrophobicContact SD-CG 3.95Å; M233-A297 HydrophobicContact CG-CB 3.45Å; M233-A297 VanDerWaalsContact CG-CB 3.45Å; M233-A297 HydrophobicContact SD-CB 3.89Å
234	E	85.7	Confident	89.8	Confident	75 Å²	75	41.3 Å²	41.3	35%	0.35	24%	0.235	S	C	.	.			trans	-113.2	134.3	178	-68.1	171.9	-148.8	0	0	110.6	G232 G236 A297 K563	G232-E234 PolarHBondContact O-N 3.17Å; E234-G236 PolarHBondContact O-N 3.34Å; E234-A297 WeakPolarHBondContact O-CA 3.31Å; E234-A297 WeakPolarHBondContact O-CB 3.27Å; E234-K563 IonicContact OE1-NZ 3.65Å; E234-K563 PolarHBondContact OE1-NZ 2.87Å
235	L	89.2	Confident	89.5	Confident	27 Å²	27	40.5 Å²	40.5	14%	0.141	23%	0.23	C	C	.	.			trans	-59.5	-35.3	176.1	-76.1	163.4	0	0	0	112.7	L226 V237 L293 I296 A297 K308 S330 L331	L226-L235 HydrophobicContact CD1-CD2 3.75Å; L226-L235 HydrophobicContact CD1-CG 3.98Å; L235-V237 VanDerWaalsContact C-N 3.26Å; L235-V237 HydrophobicContact CB-CG2 4.28Å; L235-V237 PolarHBondContact O-N 2.96Å; L235-L293 HydrophobicContact CD2-CB 4.19Å; L235-L293 HydrophobicContact CD2-CD2 3.97Å; L235-L293 WeakPolarHBondContact CD2-O 3.28Å; L235-I296 HydrophobicContact CD2-CB 4.26Å; L235-I296 HydrophobicContact CD2-CG2 3.88Å; L235-A297 HydrophobicContact CD2-CB 4.47Å; L235-K308 PolarHBondContact O-NZ 3.38Å; L235-S330 VanDerWaalsContact CD1-O 3.29Å; L235-S330 WeakPolarHBondContact CD1-O 3.38Å; L235-L331 HydrophobicContact CD2-CD2 4.47Å
236	G	84.5	Confident	89.1	Confident	35 Å²	35	38.4 Å²	38.4	36%	0.361	22%	0.222	S	C	.	.			trans	61.4	32	178.9	0	0	0	0	0	113.7	E234	E234-G236 PolarHBondContact O-N 3.34Å
237	V	87.1	Confident	88.6	Confident	22 Å²	22	38.7 Å²	38.7	13%	0.133	23%	0.227	C	C	.	.			trans	-100.4	118.1	179.4	-175.2	0	0	0	0	109.8	L235 I241 L242 I296 I312 L331	L235-V237 VanDerWaalsContact C-N 3.26Å; L235-V237 HydrophobicContact CB-CG2 4.28Å; L235-V237 PolarHBondContact O-N 2.96Å; V237-I241 HydrophobicContact CG1-CB 4.22Å; V237-I241 HydrophobicContact CG1-CG2 4.17Å; V237-L242 HydrophobicContact CG1-CD1 4.22Å; V237-L242 HydrophobicContact CG1-CD2 3.9Å; V237-L242 HydrophobicContact CG1-CG 3.71Å; V237-I296 HydrophobicContact CG2-CG2 3.56Å; V237-I312 HydrophobicContact CG1-CD1 3.83Å; V237-I312 HydrophobicContact CG2-CD1 4.2Å; V237-L331 HydrophobicContact CG2-CD2 4.46Å
238	G	84.5	Confident	88.1	Confident	38 Å²	38	40.5 Å²	40.5	39%	0.392	24%	0.241	S	C	.	.			trans	-79.7	152.2	176.1	0	0	0	0	0	112.9	T240 I241 L242	G238-T240 PolarHBondContact O-N 3.4Å; G238-T240 VanDerWaalsContact O-N 3.14Å; G238-I241 WeakPolarHBondContact O-CB 3.37Å; G238-I241 PolarHBondContact O-N 3.16Å; G238-L242 PolarHBondContact O-N 2.6Å
239	E	85.6	Confident	87.5	Confident	82 Å²	82	40.6 Å²	40.6	38%	0.383	24%	0.242	S	C	.	.	H	α-helix	trans	-52.7	-36.3	177.6	-167.3	-173.4	136.6	0	0	113.1	R43 I241 L242 L243 L261 L267	R43-E239 IonicContact NH1-OE2 3.45Å; E239-I241 VanDerWaalsContact C-N 3.33Å; E239-I241 PolarHBondContact O-N 2.85Å; E239-L242 PolarHBondContact O-N 3.41Å; E239-L243 WeakPolarHBondContact O-CG 3.01Å; E239-L243 PolarHBondContact O-N 3.28Å; E239-L261 HydrophobicContact CG-CD2 4.27Å; E239-L261 WeakPolarHBondContact OE1-CD2 3.14Å; E239-L267 HydrophobicContact CG-CD1 3.98Å
240	T	86.5	Confident	87	Confident	82 Å²	82	39.4 Å²	39.4	50%	0.503	23%	0.231	S	C	.	.	H	α-helix	trans	-64.4	-35.4	177.2	-57.9	0	0	0	0	112.8	G238 K244	G238-T240 PolarHBondContact O-N 3.4Å; G238-T240 VanDerWaalsContact O-N 3.14Å; T240-K244 HydrophobicContact CG2-CD 4.49Å; T240-K244 VanDerWaalsContact O-CG 3.32Å; T240-K244 WeakPolarHBondContact O-CG 3.06Å; T240-K244 PolarHBondContact O-N 2.73Å; T240-K244 VanDerWaalsContact O-N 3.1Å
241	I	87.2	Confident	86.4	Confident	30 Å²	30	40.5 Å²	40.5	15%	0.154	25%	0.253	C	S	.	.	H	α-helix	trans	-72.1	-41.3	178.6	-64.6	171.9	0	0	0	109.5	V237 G238 E239 K244 A245 Q305 M309 I312	V237-I241 HydrophobicContact CG1-CB 4.22Å; V237-I241 HydrophobicContact CG1-CG2 4.17Å; G238-I241 WeakPolarHBondContact O-CB 3.37Å; G238-I241 PolarHBondContact O-N 3.16Å; E239-I241 VanDerWaalsContact C-N 3.33Å; E239-I241 PolarHBondContact O-N 2.85Å; I241-K244 PolarHBondContact O-N 2.72Å; I241-A245 WeakPolarHBondContact O-CB 3.27Å; I241-A245 PolarHBondContact O-N 3.05Å; I241-Q305 HydrophobicContact CD1-CB 4.33Å; I241-Q305 HydrophobicContact CD1-CG 4.49Å; I241-M309 HydrophobicContact CG2-CB 4.33Å; I241-I312 HydrophobicContact CG2-CD1 4.33Å
242	L	89	Confident	85.9	Confident	2 Å²	2	37 Å²	37	1%	0.01	24%	0.238	C	C	.	.	H	α-helix	trans	-61.6	-46	175.9	-68.9	167.9	0	0	0	111.8	V237 G238 E239 K244 A245 L246 L267 I312 I328 L331 S332	V237-L242 HydrophobicContact CG1-CD1 4.22Å; V237-L242 HydrophobicContact CG1-CD2 3.9Å; V237-L242 HydrophobicContact CG1-CG 3.71Å; G238-L242 PolarHBondContact O-N 2.6Å; E239-L242 PolarHBondContact O-N 3.41Å; L242-K244 VanDerWaalsContact C-N 3.33Å; L242-K244 PolarHBondContact O-N 2.83Å; L242-A245 PolarHBondContact O-N 3.39Å; L242-L246 WeakPolarHBondContact O-CB 3.29Å; L242-L246 PolarHBondContact O-N 3.02Å; L242-L267 HydrophobicContact CB-CD1 4.24Å; L242-I312 HydrophobicContact CD2-CD1 4.33Å; L242-I328 HydrophobicContact CD2-CD1 4.21Å; L242-L331 HydrophobicContact CD1-CB 4.3Å; L242-L331 HydrophobicContact CD2-CB 3.52Å; L242-L331 HydrophobicContact CD2-CD1 3.78Å; L242-L331 HydrophobicContact CD2-CG 4.25Å; L242-S332 WeakPolarHBondContact CD1-OG 3.25Å
243	L	88.5	Confident	85.8	Confident	4 Å²	4	37.5 Å²	37.5	2%	0.021	24%	0.244	C	C	.	.	H	α-helix	trans	-58.2	-43.8	174.7	-79.6	170.1	0	0	0	112.3	E239 A247 M257 R258 L267	E239-L243 WeakPolarHBondContact O-CG 3.01Å; E239-L243 PolarHBondContact O-N 3.28Å; L243-A247 VanDerWaalsContact O-CB 3.3Å; L243-A247 WeakPolarHBondContact O-CB 3.44Å; L243-A247 PolarHBondContact O-N 3.23Å; L243-M257 HydrophobicContact CD2-CB 3.56Å; L243-M257 HydrophobicContact CD2-CE 4.44Å; L243-M257 HydrophobicContact CD2-SD 4.21Å; L243-M257 WeakPolarHBondContact O-CE 3.33Å; L243-R258 HydrophobicContact CD1-CG 4.05Å; L243-L267 HydrophobicContact CD2-CD2 3.41Å; L243-L267 VanDerWaalsContact CD2-CD2 3.41Å; L243-L267 HydrophobicContact CG-CD2 3.95Å
244	K	88.4	Confident	85.6	Confident	113 Å²	113	36.9 Å²	36.9	49%	0.491	24%	0.241	S	C	.	.	H	α-helix	trans	-65.1	-45.9	177.6	-75.3	177.6	178.3	-173.7	0	112.1	T240 I241 L242 L246 A247 A248 I254	T240-K244 HydrophobicContact CG2-CD 4.49Å; T240-K244 VanDerWaalsContact O-CG 3.32Å; T240-K244 WeakPolarHBondContact O-CG 3.06Å; T240-K244 PolarHBondContact O-N 2.73Å; T240-K244 VanDerWaalsContact O-N 3.1Å; I241-K244 PolarHBondContact O-N 2.72Å; L242-K244 VanDerWaalsContact C-N 3.33Å; L242-K244 PolarHBondContact O-N 2.83Å; K244-L246 VanDerWaalsContact C-N 3.33Å; K244-L246 PolarHBondContact O-N 3.23Å; K244-A247 PolarHBondContact O-N 2.69Å; K244-A248 WeakPolarHBondContact O-CB 3.42Å; K244-A248 PolarHBondContact O-N 3.02Å; K244-I254 HydrophobicContact CG-CD1 4.44Å
245	A	88.1	Confident	85.5	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.008	26%	0.26	C	S	.	.	H	α-helix	trans	-63.6	-40.4	178.7	0	0	0	0	0	111.7	I241 L242 A248 T249 M309 I312 L316	I241-A245 WeakPolarHBondContact O-CB 3.27Å; I241-A245 PolarHBondContact O-N 3.05Å; L242-A245 PolarHBondContact O-N 3.39Å; A245-A248 PolarHBondContact O-N 3.32Å; A245-T249 WeakPolarHBondContact O-CB 3.27Å; A245-T249 PolarHBondContact O-N 3.13Å; A245-T249 VanDerWaalsContact O-N 3.08Å; A245-T249 PolarHBondContact O-OG1 2.81Å; A245-M309 HydrophobicContact CB-CG 4.28Å; A245-I312 HydrophobicContact CB-CB 4.35Å; A245-I312 HydrophobicContact CB-CG2 3.67Å; A245-L316 HydrophobicContact CB-CD1 4.32Å
246	L	85.7	Confident	85.1	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-70.2	-40.5	178.6	-166.2	57.9	0	0	0	111.9	L242 K244 T249 T250 M257 I271 L316 T324 I328	L242-L246 WeakPolarHBondContact O-CB 3.29Å; L242-L246 PolarHBondContact O-N 3.02Å; K244-L246 VanDerWaalsContact C-N 3.33Å; K244-L246 PolarHBondContact O-N 3.23Å; L246-T249 PolarHBondContact O-N 2.69Å; L246-T250 HydrophobicContact CD1-CG2 3.78Å; L246-T250 HydrophobicContact CG-CG2 4.33Å; L246-T250 WeakPolarHBondContact O-CB 3.45Å; L246-T250 WeakPolarHBondContact O-CG2 3.39Å; L246-T250 PolarHBondContact O-N 3.48Å; L246-T250 PolarHBondContact O-OG1 2.7Å; L246-M257 HydrophobicContact CB-SD 4.01Å; L246-M257 HydrophobicContact CD2-SD 3.92Å; L246-M257 HydrophobicContact CG-SD 3.86Å; L246-I271 HydrophobicContact CD1-CB 4.43Å; L246-I271 HydrophobicContact CD1-CG2 4.12Å; L246-I271 HydrophobicContact CD2-CB 4.27Å; L246-I271 HydrophobicContact CD2-CD1 3.25Å; L246-I271 HydrophobicContact CD2-CG1 4.29Å; L246-I271 HydrophobicContact CD2-CG2 4.44Å; L246-I271 HydrophobicContact CG-CB 4.46Å; L246-I271 HydrophobicContact CG-CD1 3.96Å; L246-I271 HydrophobicContact CG-CG2 4.12Å; L246-L316 HydrophobicContact CD1-CD1 4.25Å; L246-T324 HydrophobicContact CD1-CG2 4.41Å; L246-I328 HydrophobicContact CD1-CD1 4.32Å; L246-I328 HydrophobicContact CD1-CG1 4.48Å; L246-I328 HydrophobicContact CD2-CD1 4.43Å
247	A	86.6	Confident	84.9	Confident	19 Å²	19	44.3 Å²	44.3	16%	0.157	27%	0.266	C	S	.	.	H	α-helix	trans	-57.2	-49.6	171.3	0	0	0	0	0	111.6	L243 K244 T249 T250 G251 I254 M257	L243-A247 VanDerWaalsContact O-CB 3.3Å; L243-A247 WeakPolarHBondContact O-CB 3.44Å; L243-A247 PolarHBondContact O-N 3.23Å; K244-A247 PolarHBondContact O-N 2.69Å; A247-T249 PolarHBondContact O-N 2.84Å; A247-T250 PolarHBondContact O-N 3.41Å; A247-G251 WeakPolarHBondContact O-CA 3.33Å; A247-G251 PolarHBondContact O-N 3.48Å; A247-I254 HydrophobicContact CB-CG1 3.91Å; A247-M257 HydrophobicContact CB-CE 3.41Å; A247-M257 VanDerWaalsContact CB-CE 3.41Å
248	A	83.5	Confident	84.6	Confident	44 Å²	44	49 Å²	49	36%	0.364	28%	0.281	S	S	.	.	H	α-helix	trans	-64.6	-26.2	-178.6	0	0	0	0	0	113.1	K244 A245	K244-A248 WeakPolarHBondContact O-CB 3.42Å; K244-A248 PolarHBondContact O-N 3.02Å; A245-A248 PolarHBondContact O-N 3.32Å
249	T	83.3	Confident	84.3	Confident	7 Å²	7	50.6 Å²	50.6	4%	0.043	29%	0.286	C	S	.	.	H	α-helix	trans	-89.7	-37.8	-179.9	-52.8	0	0	0	0	112.6	A245 L246 A247 L316 V317	A245-T249 WeakPolarHBondContact O-CB 3.27Å; A245-T249 PolarHBondContact O-N 3.13Å; A245-T249 VanDerWaalsContact O-N 3.08Å; A245-T249 PolarHBondContact O-OG1 2.81Å; L246-T249 PolarHBondContact O-N 2.69Å; A247-T249 PolarHBondContact O-N 2.84Å; T249-L316 HydrophobicContact CG2-CB 3.79Å; T249-V317 HydrophobicContact CG2-CG2 3.8Å
250	T	81.5	Confident	83.7	Confident	5 Å²	5	47.4 Å²	47.4	3%	0.031	27%	0.272	C	S	.	.	H	α-helix	trans	-100.3	-18.2	-169.6	63.2	0	0	0	0	113.1	L246 A247 V252 I271	L246-T250 HydrophobicContact CD1-CG2 3.78Å; L246-T250 HydrophobicContact CG-CG2 4.33Å; L246-T250 WeakPolarHBondContact O-CB 3.45Å; L246-T250 WeakPolarHBondContact O-CG2 3.39Å; L246-T250 PolarHBondContact O-N 3.48Å; L246-T250 PolarHBondContact O-OG1 2.7Å; A247-T250 PolarHBondContact O-N 3.41Å; T250-V252 PolarHBondContact O-N 3.2Å; T250-V252 PolarHBondContact OG1-N 3.15Å; T250-I271 HydrophobicContact CG2-CG2 3.31Å
251	G	81.3	Confident	83.2	Confident	56 Å²	56	44.8 Å²	44.8	58%	0.577	26%	0.255	S	S	*	.			trans	74.8	3.9	-172.1	0	0	0	0	0	113.9	A247	A247-G251 WeakPolarHBondContact O-CA 3.33Å; A247-G251 PolarHBondContact O-N 3.48Å
252	V	82.1	Confident	82.6	Confident	29 Å²	29	52.3 Å²	52.3	18%	0.176	29%	0.287	C	S	.	.			trans	-78.2	135.5	179.4	-178.7	0	0	0	0	110	T250 H256 M257 I271	T250-V252 PolarHBondContact O-N 3.2Å; T250-V252 PolarHBondContact OG1-N 3.15Å; V252-H256 HydrophobicContact CG1-CB 4.16Å; V252-M257 HydrophobicContact CB-CG 4.39Å; V252-M257 HydrophobicContact CG1-CG 3.84Å; V252-M257 WeakPolarHBondContact O-CE 3.26Å; V252-I271 HydrophobicContact CG2-CG2 4.34Å
253	G	84.4	Confident	81.6	Confident	46 Å²	46	59.3 Å²	59.3	47%	0.474	32%	0.319	S	S	.	.			trans	-62.7	141.8	176.9	0	0	0	0	0	113	E255 H256 M257	G253-E255 PolarHBondContact O-N 3.04Å; G253-H256 PolarHBondContact O-N 3.26Å; G253-M257 PolarHBondContact O-N 3.44Å
254	I	85.2	Confident	80.8	Confident	56 Å²	56	63.7 Å²	63.7	29%	0.287	34%	0.34	S	S	.	.	H	α-helix	trans	-57.7	-36.1	-178.9	-64.5	174.9	0	0	0	112	K244 A247 M257 R258	K244-I254 HydrophobicContact CG-CD1 4.44Å; A247-I254 HydrophobicContact CB-CG1 3.91Å; I254-M257 HydrophobicContact CG1-CE 4.16Å; I254-M257 PolarHBondContact O-N 3.48Å; I254-R258 HydrophobicContact CG2-CG 4.44Å; I254-R258 WeakPolarHBondContact O-CG 3.4Å; I254-R258 PolarHBondContact O-N 3.09Å
255	E	83.8	Confident	79.9	Confident	160 Å²	160	60.1 Å²	60.1	75%	0.748	34%	0.335	S	S	*	.	H	α-helix	trans	-66	-43	179.8	-65.1	-178.6	167.4	0	0	112.4	G253 M257 R258 S259	G253-E255 PolarHBondContact O-N 3.04Å; E255-M257 VanDerWaalsContact C-N 3.33Å; E255-M257 PolarHBondContact O-N 2.89Å; E255-R258 PolarHBondContact O-N 2.8Å; E255-S259 PolarHBondContact O-N 2.82Å
256	H	80.4	Confident	79	Confident	132 Å²	132	60.7 Å²	60.7	61%	0.611	34%	0.338	S	S	*	.	H	α-helix	trans	-62.9	-41.1	175.3	-173.4	72	0	0	0	111.4	V252 G253 S259 S260	V252-H256 HydrophobicContact CG1-CB 4.16Å; G253-H256 PolarHBondContact O-N 3.26Å; H256-S259 WeakPolarHBondContact O-CB 3.28Å; H256-S259 PolarHBondContact O-N 3.28Å; H256-S260 WeakPolarHBondContact O-CB 3.46Å; H256-S260 PolarHBondContact O-N 3.48Å
257	M	79.9	Confident	78.3	Confident	2 Å²	2	61.3 Å²	61.3	1%	0.01	34%	0.341	C	S	.	.	H	α-helix	trans	-64.6	-40	174.9	-68.9	-171.2	-81.9	0	0	112.7	L243 L246 A247 V252 G253 I254 E255 S259 S260 L261 I271	L243-M257 HydrophobicContact CD2-CB 3.56Å; L243-M257 HydrophobicContact CD2-CE 4.44Å; L243-M257 HydrophobicContact CD2-SD 4.21Å; L243-M257 WeakPolarHBondContact O-CE 3.33Å; L246-M257 HydrophobicContact CB-SD 4.01Å; L246-M257 HydrophobicContact CD2-SD 3.92Å; L246-M257 HydrophobicContact CG-SD 3.86Å; A247-M257 HydrophobicContact CB-CE 3.41Å; A247-M257 VanDerWaalsContact CB-CE 3.41Å; V252-M257 HydrophobicContact CB-CG 4.39Å; V252-M257 HydrophobicContact CG1-CG 3.84Å; V252-M257 WeakPolarHBondContact O-CE 3.26Å; G253-M257 PolarHBondContact O-N 3.44Å; I254-M257 HydrophobicContact CG1-CE 4.16Å; I254-M257 PolarHBondContact O-N 3.48Å; E255-M257 VanDerWaalsContact C-N 3.33Å; E255-M257 PolarHBondContact O-N 2.89Å; M257-S259 VanDerWaalsContact C-N 3.33Å; M257-S259 PolarHBondContact O-N 3.12Å; M257-S260 PolarHBondContact O-N 3.16Å; M257-L261 VanDerWaalsContact O-CB 3.24Å; M257-L261 WeakPolarHBondContact O-CB 3.28Å; M257-L261 PolarHBondContact O-N 3.3Å; M257-I271 HydrophobicContact CB-CD1 4.35Å; M257-I271 HydrophobicContact CG-CD1 3.56Å; M257-I271 HydrophobicContact SD-CD1 3.63Å
258	R	82.1	Confident	77.3	Confident	121 Å²	121	60.8 Å²	60.8	46%	0.457	34%	0.338	S	S	.	.	H	α-helix	trans	-63.6	-38.8	173.7	-75.4	178.9	-177.8	140.6	-1.3	112	L243 I254 E255 L261 K262	L243-R258 HydrophobicContact CD1-CG 4.05Å; I254-R258 HydrophobicContact CG2-CG 4.44Å; I254-R258 WeakPolarHBondContact O-CG 3.4Å; I254-R258 PolarHBondContact O-N 3.09Å; E255-R258 PolarHBondContact O-N 2.8Å; R258-L261 PolarHBondContact O-N 2.87Å; R258-K262 WeakPolarHBondContact O-CG 3.49Å; R258-K262 PolarHBondContact O-N 3.43Å
259	S	78.2	Confident	76.3	Confident	71 Å²	71	60.9 Å²	60.9	50%	0.497	34%	0.339	S	S	.	.	H	α-helix	trans	-64	-47.8	174.8	-168.7	0	0	0	0	111.3	E255 H256 M257 L261 K262 Q263	E255-S259 PolarHBondContact O-N 2.82Å; H256-S259 WeakPolarHBondContact O-CB 3.28Å; H256-S259 PolarHBondContact O-N 3.28Å; M257-S259 VanDerWaalsContact C-N 3.33Å; M257-S259 PolarHBondContact O-N 3.12Å; S259-L261 VanDerWaalsContact C-N 3.3Å; S259-L261 PolarHBondContact O-N 2.82Å; S259-K262 PolarHBondContact O-N 3.13Å; S259-Q263 PolarHBondContact O-N 2.87Å
260	S	73.3	Confident	74.9	Confident	14 Å²	14	64.1 Å²	64.1	10%	0.098	36%	0.358	C	S	.	.	H	α-helix	trans	-59.9	-40.5	175.8	179	0	0	0	0	111.6	H256 M257 Q263 H264	H256-S260 WeakPolarHBondContact O-CB 3.46Å; H256-S260 PolarHBondContact O-N 3.48Å; M257-S260 PolarHBondContact O-N 3.16Å; S260-Q263 PolarHBondContact O-N 3.33Å; S260-H264 PolarHBondContact O-N 2.87Å; S260-H264 PolarHBondContact O-ND1 3.15Å
261	L	75.1	Confident	73.8	Confident	27 Å²	27	65 Å²	65	14%	0.141	36%	0.363	C	S	.	.	H	α-helix	trans	-65.1	-40.7	175.4	-178.9	59.1	0	0	0	112.9	E239 M257 R258 S259 Q263 G265 L267	E239-L261 HydrophobicContact CG-CD2 4.27Å; E239-L261 WeakPolarHBondContact OE1-CD2 3.14Å; M257-L261 VanDerWaalsContact O-CB 3.24Å; M257-L261 WeakPolarHBondContact O-CB 3.28Å; M257-L261 PolarHBondContact O-N 3.3Å; R258-L261 PolarHBondContact O-N 2.87Å; S259-L261 VanDerWaalsContact C-N 3.3Å; S259-L261 PolarHBondContact O-N 2.82Å; L261-Q263 VanDerWaalsContact C-N 3.29Å; L261-Q263 PolarHBondContact O-N 3.27Å; L261-G265 WeakPolarHBondContact O-CA 3.41Å; L261-G265 PolarHBondContact O-N 2.96Å; L261-L267 HydrophobicContact CD1-CD2 4.47Å; L261-L267 HydrophobicContact CD1-CG 3.91Å; L261-L267 HydrophobicContact CD2-CD1 4.49Å; L261-L267 HydrophobicContact CD2-CD2 4.08Å; L261-L267 HydrophobicContact CD2-CG 4.05Å; L261-L267 HydrophobicContact CG-CG 4.5Å
262	K	74.3	Confident	72.6	Confident	189 Å²	189	72.7 Å²	72.7	82%	0.822	37%	0.374	S	S	*	.	H	α-helix	trans	-62.5	-38.8	173.6	-76.8	-179.7	178.6	-172.1	0	111.6	R258 S259	R258-K262 WeakPolarHBondContact O-CG 3.49Å; R258-K262 PolarHBondContact O-N 3.43Å; S259-K262 PolarHBondContact O-N 3.13Å
263	Q	68.9	Low	71.3	Confident	148 Å²	148	73.9 Å²	73.9	69%	0.692	38%	0.384	S	S	*	.	H	α-helix	trans	-76.3	-45.2	-177	-173.2	-179.9	13.1	0	0	113.3	S259 S260 L261	S259-Q263 PolarHBondContact O-N 2.87Å; S260-Q263 PolarHBondContact O-N 3.33Å; L261-Q263 VanDerWaalsContact C-N 3.29Å; L261-Q263 PolarHBondContact O-N 3.27Å
264	H	70.1	Confident	69.9	Low	96 Å²	96	82.4 Å²	82.4	44%	0.444	40%	0.401	S	S	.	.	H	α-helix	trans	-101.2	-12.2	-174.2	-59.1	80.7	0	0	0	113	S260 D266	S260-H264 PolarHBondContact O-N 2.87Å; S260-H264 PolarHBondContact O-ND1 3.15Å; H264-D266 PolarHBondContact O-N 3.28Å; H264-D266 VanDerWaalsContact O-N 3.13Å
265	G	69.6	Low	68.5	Low	38 Å²	38	84.9 Å²	84.9	39%	0.392	41%	0.412	S	S	.	.	S	Bend	trans	68.8	2.2	-175.9	0	0	0	0	0	114.7	L261 R336	L261-G265 WeakPolarHBondContact O-CA 3.41Å; L261-G265 PolarHBondContact O-N 2.96Å; G265-R336 PolarHBondContact O-NH1 3.43Å
266	D	70.7	Confident	67.2	Low	14 Å²	14	87.3 Å²	87.3	8%	0.075	42%	0.42	C	S	.	.			trans	-138.4	124.2	-169.7	-177.5	13.6	0	0	0	112.7	H264 G268 A269 R329	H264-D266 PolarHBondContact O-N 3.28Å; H264-D266 VanDerWaalsContact O-N 3.13Å; D266-G268 VanDerWaalsContact C-N 3.29Å; D266-G268 PolarHBondContact O-N 2.99Å; D266-G268 PolarHBondContact OD1-N 3.3Å; D266-A269 HydrophobicContact CB-CB 4.22Å; D266-R329 IonicContact OD1-NE 3.49Å; D266-R329 IonicContact OD2-CZ 3.45Å; D266-R329 IonicContact OD2-NE 2.86Å; D266-R329 PolarHBondContact OD2-NE 3.43Å; D266-R329 IonicContact OD2-NH2 2.72Å; D266-R329 PolarHBondContact OD2-NH2 3.48Å
267	L	70.2	Confident	66.4	Low	13 Å²	13	85 Å²	85	7%	0.068	41%	0.411	C	S	.	.	S	Bend	trans	-69.8	-26.5	175.8	-78.9	164	0	0	0	112.6	E239 L242 L243 L261 I328	E239-L267 HydrophobicContact CG-CD1 3.98Å; L242-L267 HydrophobicContact CB-CD1 4.24Å; L243-L267 HydrophobicContact CD2-CD2 3.41Å; L243-L267 VanDerWaalsContact CD2-CD2 3.41Å; L243-L267 HydrophobicContact CG-CD2 3.95Å; L261-L267 HydrophobicContact CD1-CD2 4.47Å; L261-L267 HydrophobicContact CD1-CG 3.91Å; L261-L267 HydrophobicContact CD2-CD1 4.49Å; L261-L267 HydrophobicContact CD2-CD2 4.08Å; L261-L267 HydrophobicContact CD2-CG 4.05Å; L261-L267 HydrophobicContact CG-CG 4.5Å; L267-I328 HydrophobicContact CB-CG2 3.47Å; L267-I328 VanDerWaalsContact CB-CG2 3.47Å
268	G	65.7	Low	65.7	Low	8 Å²	8	93.8 Å²	93.8	8%	0.082	46%	0.457	C	S	.	.	S	Bend	trans	-79.6	-21.7	-175.2	0	0	0	0	0	114.3	D266 T270 K325	D266-G268 VanDerWaalsContact C-N 3.29Å; D266-G268 PolarHBondContact O-N 2.99Å; D266-G268 PolarHBondContact OD1-N 3.3Å; G268-T270 PolarHBondContact O-N 3.26Å; G268-K325 WeakPolarHBondContact O-CA 3.28Å; G268-K325 VanDerWaalsContact O-CB 3.26Å; G268-K325 WeakPolarHBondContact O-CB 3.46Å; G268-K325 WeakPolarHBondContact O-CG 3.36Å
269	A	62	Low	65.2	Low	47 Å²	47	92.3 Å²	92.3	39%	0.388	47%	0.465	S	S	.	.	S	Bend	trans	-72.6	-23	-164.5	0	0	0	0	0	115.4	D266	D266-A269 HydrophobicContact CB-CB 4.22Å
270	T	53.5	Low	65	Low	74 Å²	74	92.8 Å²	92.8	45%	0.454	47%	0.474	S	S	.	.	S	Bend	trans	-142.1	23.5	-157.7	-35.2	0	0	0	0	115.7	G268	G268-T270 PolarHBondContact O-N 3.26Å
271	I	58.6	Low	65.6	Low	24 Å²	24	94.4 Å²	94.4	12%	0.123	48%	0.484	C	S	.	.			trans	-130.7	97	-174.4	-53	170.4	0	0	0	111.4	L246 T250 V252 M257	L246-I271 HydrophobicContact CD1-CB 4.43Å; L246-I271 HydrophobicContact CD1-CG2 4.12Å; L246-I271 HydrophobicContact CD2-CB 4.27Å; L246-I271 HydrophobicContact CD2-CD1 3.25Å; L246-I271 HydrophobicContact CD2-CG1 4.29Å; L246-I271 HydrophobicContact CD2-CG2 4.44Å; L246-I271 HydrophobicContact CG-CB 4.46Å; L246-I271 HydrophobicContact CG-CD1 3.96Å; L246-I271 HydrophobicContact CG-CG2 4.12Å; T250-I271 HydrophobicContact CG2-CG2 3.31Å; V252-I271 HydrophobicContact CG2-CG2 4.34Å; M257-I271 HydrophobicContact CB-CD1 4.35Å; M257-I271 HydrophobicContact CG-CD1 3.56Å; M257-I271 HydrophobicContact SD-CD1 3.63Å
272	R	56.2	Low	66.3	Low	218 Å²	218	101.7 Å²	101.7	82%	0.823	52%	0.515	S	S	*	.			trans	-92.1	132.1	169.1	-161.8	173.5	-174.5	170.5	2.4	108.8	R274	R272-R274 PolarHBondContact O-N 3.33Å
273	S	56.1	Low	67.2	Low	53 Å²	53	95.8 Å²	95.8	37%	0.371	50%	0.496	S	S	.	.			trans	-59.1	127.2	174.3	-179.9	0	0	0	0	110.2	Q275	S273-Q275 PolarHBondContact OG-N 2.89Å
274	R	53.4	Low	68.5	Low	225 Å²	225	89 Å²	89	85%	0.849	46%	0.464	S	S	*	.			trans	-88.3	-8.9	173.4	-68.1	-173.9	179.4	-161.7	0.5	112.7	R272 K276	R272-R274 PolarHBondContact O-N 3.33Å; R274-K276 PolarHBondContact O-N 3.48Å
275	Q	56.5	Low	69.8	Low	109 Å²	109	86 Å²	86	51%	0.509	45%	0.452	S	S	.	.			trans	-82.3	118.7	-175.5	-65.5	-175.9	-3.6	0	0	110.1	S273 I277	S273-Q275 PolarHBondContact OG-N 2.89Å; Q275-I277 PolarHBondContact O-N 2.94Å
276	K	56.4	Low	71.2	Confident	211 Å²	211	84.1 Å²	84.1	92%	0.917	43%	0.434	S	S	*	.			trans	-71.5	109.2	167.4	-71.7	-175.3	178.2	-178	0	108	R274	R274-K276 PolarHBondContact O-N 3.48Å
277	I	63.3	Low	72.5	Confident	82 Å²	82	85.8 Å²	85.8	42%	0.421	45%	0.446	S	S	.	.			trans	-80.9	132.7	176.9	-53.6	169.3	0	0	0	108.4	Q275 S279 V317	Q275-I277 PolarHBondContact O-N 2.94Å; I277-S279 WeakPolarHBondContact CG2-O 3.32Å; I277-S279 PolarHBondContact O-N 3.13Å; I277-V317 HydrophobicContact CD1-CG1 3.79Å
278	L	65.2	Low	73.8	Confident	187 Å²	187	87.4 Å²	87.4	98%	0.979	46%	0.459	S	S	*	.	S	Bend	trans	-62.7	-24.7	-179.3	-78.1	151.1	0	0	0	113.4
279	S	72.4	Confident	75.4	Confident	90 Å²	90	87.1 Å²	87.1	63%	0.629	46%	0.455	S	S	*	.	S	Bend	trans	-146.4	120.5	174.5	58.2	0	0	0	0	110.1	I277	I277-S279 WeakPolarHBondContact CG2-O 3.32Å; I277-S279 PolarHBondContact O-N 3.13Å
280	A	73.1	Confident	77.1	Confident	81 Å²	81	85.5 Å²	85.5	67%	0.669	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-66.8	129.6	178.1	0	0	0	0	0	110.9
281	P	86.1	Confident	79.2	Confident	49 Å²	49	84.9 Å²	84.9	32%	0.318	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-60.9	163.6	172.4	-20.8	31.4	0	0	0	112.8	V317 A318	P281-V317 HydrophobicContact CG-CG1 3.96Å; P281-A318 HydrophobicContact CB-CB 3.88Å; P281-A318 HydrophobicContact CG-CB 4.3Å
282	K	90.4	Very high	81.1	Confident	180 Å²	180	86.3 Å²	86.3	78%	0.783	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-53.3	134.8	172.4	-172.6	178.3	179.4	177.6	0	109.7
283	P	92.9	Very high	83.1	Confident	65 Å²	65	76.1 Å²	76.1	42%	0.422	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-51.5	144.3	173.8	-23.9	30.5	0	0	0	112.4
284	L	96.5	Very high	85	Confident	5 Å²	5	77.2 Å²	77.2	3%	0.026	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-71.8	141.1	176.9	-66.1	175.9	0	0	0	110.6	Y177 V289 L315 A318 I327	Y177-L284 PolarHBondContact N-O 3.47Å; L284-V289 HydrophobicContact CB-CG2 3.92Å; L284-V289 HydrophobicContact CD1-CG2 4.29Å; L284-V289 HydrophobicContact CD2-CG2 4.13Å; L284-V289 HydrophobicContact CG-CG2 4.35Å; L284-L315 HydrophobicContact CD2-CD2 3.87Å; L284-A318 HydrophobicContact CD1-CB 4.45Å; L284-A318 HydrophobicContact CD2-CB 3.75Å; L284-A318 HydrophobicContact CG-CB 3.94Å; L284-I327 HydrophobicContact CD1-CD1 3.52Å
285	T	98.2	Very high	87	Confident	32 Å²	32	70 Å²	70	20%	0.196	38%	0.381	C	S	.	.	B	Isolated β-bridge	trans	-122.7	158.7	173.7	73.2	0	0	0	0	110.3	S174 V175 S287 S288 V289	S174-T285 WeakPolarHBondContact OG-CB 3.41Å; S174-T285 PolarHBondContact OG-OG1 3.38Å; V175-T285 CarbonylContact O-C 3.53Å; V175-T285 VanDerWaalsContact O-CA 3.31Å; V175-T285 WeakPolarHBondContact O-CA 3.49Å; T285-S287 PolarHBondContact O-N 2.64Å; T285-S288 PolarHBondContact O-N 3.16Å; T285-S288 PolarHBondContact OG1-N 3.02Å; T285-V289 WeakPolarHBondContact O-CG2 3.39Å; T285-V289 PolarHBondContact O-N 3.31Å
286	I	98.5	Very high	88.8	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-56	-50.9	179.3	-69.6	-69.7	0	0	0	111	V175 Y177 L180 D214 S217 L221 S288 V289 F290	V175-I286 HydrophobicContact CB-CB 4.26Å; V175-I286 HydrophobicContact CB-CG1 3.69Å; V175-I286 HydrophobicContact CG1-CG1 3.94Å; V175-I286 WeakPolarHBondContact O-CG1 3.29Å; V175-I286 PolarHBondContact O-N 3.35Å; Y177-I286 HydrophobicContact CD2-CD1 3.97Å; L180-I286 HydrophobicContact CB-CD1 3.85Å; L180-I286 HydrophobicContact CD2-CD1 3.45Å; L180-I286 VanDerWaalsContact CD2-CD1 3.45Å; L180-I286 HydrophobicContact CG-CD1 4.26Å; D214-I286 HydrophobicContact CB-CB 4.34Å; D214-I286 HydrophobicContact CB-CG2 4.02Å; S217-I286 VanDerWaalsContact CB-CG2 3.47Å; L221-I286 HydrophobicContact CD1-CD1 3.65Å; L221-I286 HydrophobicContact CD1-CG2 4.2Å; I286-S288 VanDerWaalsContact C-N 3.33Å; I286-S288 PolarHBondContact O-N 2.94Å; I286-V289 PolarHBondContact O-N 3.37Å; I286-F290 WeakPolarHBondContact O-CB 3.42Å; I286-F290 PolarHBondContact O-N 3.1Å
287	S	98	Very high	90.5	Very high	49 Å²	49	55.5 Å²	55.5	34%	0.343	32%	0.32	S	S	.	.	H	α-helix	trans	-53.6	-46.9	176.9	-78.3	0	0	0	0	112.5	S174 D214 T285 S291	S174-S287 WeakPolarHBondContact OG-CB 3.1Å; S174-S287 PolarHBondContact OG-N 3.33Å; S174-S287 PolarHBondContact OG-OG 3.29Å; D214-S287 PolarHBondContact OD1-N 2.99Å; D214-S287 PolarHBondContact OD1-OG 3.37Å; T285-S287 PolarHBondContact O-N 2.64Å; S287-S291 VanDerWaalsContact O-CB 3.27Å; S287-S291 WeakPolarHBondContact O-CB 3.28Å; S287-S291 PolarHBondContact O-N 3.26Å
288	S	98	Very high	91.9	Very high	47 Å²	47	55.8 Å²	55.8	33%	0.329	33%	0.329	S	S	.	.	H	α-helix	trans	-68.3	-45.7	-178.4	179.3	0	0	0	0	112.5	T285 I286 K292	T285-S288 PolarHBondContact O-N 3.16Å; T285-S288 PolarHBondContact OG1-N 3.02Å; I286-S288 VanDerWaalsContact C-N 3.33Å; I286-S288 PolarHBondContact O-N 2.94Å; S288-K292 WeakPolarHBondContact O-CB 3.02Å; S288-K292 WeakPolarHBondContact O-CG 3.31Å; S288-K292 PolarHBondContact O-N 3.33Å
289	V	98.4	Very high	93.2	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.006	29%	0.294	C	S	.	.	H	α-helix	trans	-65.5	-47.2	179.1	173.4	0	0	0	0	110.4	Y177 L284 T285 I286 K292 L293 L315	Y177-V289 HydrophobicContact CD2-CB 3.98Å; Y177-V289 HydrophobicContact CD2-CG1 3.88Å; Y177-V289 HydrophobicContact CD2-CG2 3.88Å; Y177-V289 HydrophobicContact CE2-CB 4.42Å; Y177-V289 HydrophobicContact CE2-CG1 3.8Å; Y177-V289 HydrophobicContact CG-CB 4.48Å; Y177-V289 HydrophobicContact CG-CG2 3.87Å; L284-V289 HydrophobicContact CB-CG2 3.92Å; L284-V289 HydrophobicContact CD1-CG2 4.29Å; L284-V289 HydrophobicContact CD2-CG2 4.13Å; L284-V289 HydrophobicContact CG-CG2 4.35Å; T285-V289 WeakPolarHBondContact O-CG2 3.39Å; T285-V289 PolarHBondContact O-N 3.31Å; I286-V289 PolarHBondContact O-N 3.37Å; V289-K292 PolarHBondContact O-N 3.2Å; V289-L293 HydrophobicContact CG1-CD1 3.98Å; V289-L293 HydrophobicContact CG1-CG 4.36Å; V289-L293 VanDerWaalsContact O-CG 3.29Å; V289-L293 WeakPolarHBondContact O-CG 3.43Å; V289-L293 PolarHBondContact O-N 3.33Å; V289-L315 HydrophobicContact CG2-CD2 4.1Å
290	F	98.1	Very high	93.8	Very high	13 Å²	13	49.8 Å²	49.8	6%	0.057	30%	0.298	C	S	.	.	H	α-helix	trans	-63.8	-43.5	-178.8	-166.3	-109.3	0	0	0	111.9	S217 Y220 L221 L226 I286 L293 K294	S217-F290 VanDerWaalsContact OG-CD1 3.28Å; S217-F290 WeakPolarHBondContact OG-CD1 3.35Å; Y220-F290 AromaticContact CD2-CZ 3.95Å; Y220-F290 HydrophobicContact CD2-CZ 3.95Å; Y220-F290 HydrophobicContact CG-CZ 4.23Å; L221-F290 HydrophobicContact CD1-CD2 4.29Å; L221-F290 HydrophobicContact CD2-CD2 3.99Å; L221-F290 HydrophobicContact CG-CD2 3.85Å; L221-F290 HydrophobicContact CG-CE2 4.41Å; L226-F290 HydrophobicContact CD2-CD2 4.14Å; L226-F290 HydrophobicContact CD2-CE2 3.88Å; L226-F290 WeakPolarHBondContact O-CZ 3.43Å; I286-F290 WeakPolarHBondContact O-CB 3.42Å; I286-F290 PolarHBondContact O-N 3.1Å; F290-L293 PolarHBondContact O-N 3.28Å; F290-K294 HydrophobicContact CD1-CD 4.3Å; F290-K294 HydrophobicContact CE1-CD 3.99Å; F290-K294 HydrophobicContact CE1-CG 4.45Å; F290-K294 PolarHBondContact O-N 3Å
291	S	97.9	Very high	94.2	Very high	61 Å²	61	48.1 Å²	48.1	43%	0.427	29%	0.288	S	S	.	.	H	α-helix	trans	-58.4	-49	173.8	-171.2	0	0	0	0	111.6	S287 L293 K294 D295	S287-S291 VanDerWaalsContact O-CB 3.27Å; S287-S291 WeakPolarHBondContact O-CB 3.28Å; S287-S291 PolarHBondContact O-N 3.26Å; S291-L293 VanDerWaalsContact C-N 3.3Å; S291-L293 PolarHBondContact O-N 3.34Å; S291-K294 WeakPolarHBondContact O-CB 3.35Å; S291-K294 PolarHBondContact O-N 3.03Å; S291-K294 VanDerWaalsContact O-N 3.1Å; S291-D295 VanDerWaalsContact O-CG 3.25Å; S291-D295 PolarHBondContact O-N 2.9Å
292	K	97.7	Very high	93.9	Very high	55 Å²	55	53 Å²	53	24%	0.239	31%	0.312	C	S	.	.	H	α-helix	trans	-62.3	-35.6	178.7	-76.4	178.3	174.2	-167.3	0	112.9	S288 V289 D295 I296 I311 S314 L315	S288-K292 WeakPolarHBondContact O-CB 3.02Å; S288-K292 WeakPolarHBondContact O-CG 3.31Å; S288-K292 PolarHBondContact O-N 3.33Å; V289-K292 PolarHBondContact O-N 3.2Å; K292-D295 PolarHBondContact O-N 2.8Å; K292-I296 VanDerWaalsContact O-CG1 3.27Å; K292-I296 WeakPolarHBondContact O-CG1 3.08Å; K292-I296 PolarHBondContact O-N 3.42Å; K292-I311 HydrophobicContact CB-CG2 3.84Å; K292-I311 HydrophobicContact CD-CG2 4.24Å; K292-I311 HydrophobicContact CG-CG2 4.08Å; K292-S314 PolarHBondContact NZ-OG 3.37Å; K292-L315 HydrophobicContact CB-CD1 4.23Å; K292-L315 HydrophobicContact CB-CD2 4.43Å; K292-L315 HydrophobicContact CD-CD1 4.41Å; K292-L315 HydrophobicContact CD-CD2 3.51Å; K292-L315 HydrophobicContact CD-CG 3.87Å
293	L	97.3	Very high	93.6	Very high	4 Å²	4	48.7 Å²	48.7	2%	0.021	31%	0.305	C	S	.	.	H	α-helix	trans	-67.6	-39.8	174.3	-69.3	173.6	0	0	0	111.6	L221 L226 L235 V289 F290 S291 I296 A297 L331	L221-L293 HydrophobicContact CD2-CD1 3.77Å; L226-L293 HydrophobicContact CD1-CB 4.25Å; L226-L293 WeakPolarHBondContact CD1-O 3.14Å; L226-L293 HydrophobicContact CD2-CB 3.62Å; L226-L293 HydrophobicContact CD2-CD1 4.2Å; L235-L293 HydrophobicContact CD2-CB 4.19Å; L235-L293 HydrophobicContact CD2-CD2 3.97Å; L235-L293 WeakPolarHBondContact CD2-O 3.28Å; V289-L293 HydrophobicContact CG1-CD1 3.98Å; V289-L293 HydrophobicContact CG1-CG 4.36Å; V289-L293 VanDerWaalsContact O-CG 3.29Å; V289-L293 WeakPolarHBondContact O-CG 3.43Å; V289-L293 PolarHBondContact O-N 3.33Å; F290-L293 PolarHBondContact O-N 3.28Å; S291-L293 VanDerWaalsContact C-N 3.3Å; S291-L293 PolarHBondContact O-N 3.34Å; L293-I296 PolarHBondContact O-N 3.03Å; L293-A297 PolarHBondContact O-N 3.27Å; L293-L331 HydrophobicContact CD2-CD2 3.56Å; L293-L331 HydrophobicContact CD2-CG 4.16Å
294	K	96	Very high	93.3	Very high	76 Å²	76	45.9 Å²	45.9	33%	0.33	29%	0.286	S	S	.	.	H	α-helix	trans	-62.4	-42.5	171.7	-76.2	-168	163.1	-173.2	0	112.1	L226 M233 F290 S291 I296 A297 S298	L226-K294 HydrophobicContact CB-CG 4.36Å; L226-K294 WeakPolarHBondContact O-CE 3.38Å; M233-K294 HydrophobicContact SD-CB 4.43Å; M233-K294 HydrophobicContact SD-CG 3.95Å; F290-K294 HydrophobicContact CD1-CD 4.3Å; F290-K294 HydrophobicContact CE1-CD 3.99Å; F290-K294 HydrophobicContact CE1-CG 4.45Å; F290-K294 PolarHBondContact O-N 3Å; S291-K294 WeakPolarHBondContact O-CB 3.35Å; S291-K294 PolarHBondContact O-N 3.03Å; S291-K294 VanDerWaalsContact O-N 3.1Å; K294-I296 VanDerWaalsContact C-N 3.34Å; K294-I296 PolarHBondContact O-N 3.38Å; K294-A297 PolarHBondContact O-N 3.18Å; K294-A297 VanDerWaalsContact O-N 3.12Å; K294-S298 PolarHBondContact O-N 3.39Å; K294-S298 PolarHBondContact O-OG 2.99Å
295	D	95.7	Very high	92.9	Very high	72 Å²	72	48.6 Å²	48.6	39%	0.385	30%	0.299	S	S	.	.	H	α-helix	trans	-58.9	-47	175.3	-63.6	-25.3	0	0	0	110.8	S291 K292 A297 S298 M299 I311	S291-D295 VanDerWaalsContact O-CG 3.25Å; S291-D295 PolarHBondContact O-N 2.9Å; K292-D295 PolarHBondContact O-N 2.8Å; D295-A297 VanDerWaalsContact C-N 3.29Å; D295-A297 PolarHBondContact O-N 2.9Å; D295-S298 PolarHBondContact O-N 2.77Å; D295-S298 PolarHBondContact O-OG 2.92Å; D295-M299 VanDerWaalsContact O-CG 3.32Å; D295-M299 WeakPolarHBondContact O-CG 2.92Å; D295-M299 PolarHBondContact O-N 2.94Å; D295-M299 VanDerWaalsContact O-N 3.16Å; D295-I311 HydrophobicContact CB-CD1 4.33Å
296	I	95	Very high	92.4	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-57.7	-41.7	175.2	-72.3	166.3	0	0	0	111.5	L235 V237 K292 L293 K294 K308 I311 I312 L331	L235-I296 HydrophobicContact CD2-CB 4.26Å; L235-I296 HydrophobicContact CD2-CG2 3.88Å; V237-I296 HydrophobicContact CG2-CG2 3.56Å; K292-I296 VanDerWaalsContact O-CG1 3.27Å; K292-I296 WeakPolarHBondContact O-CG1 3.08Å; K292-I296 PolarHBondContact O-N 3.42Å; L293-I296 PolarHBondContact O-N 3.03Å; K294-I296 VanDerWaalsContact C-N 3.34Å; K294-I296 PolarHBondContact O-N 3.38Å; I296-K308 HydrophobicContact CG2-CD 4.08Å; I296-K308 HydrophobicContact CG2-CG 4.09Å; I296-K308 WeakPolarHBondContact O-CE 3.43Å; I296-K308 PolarHBondContact O-NZ 2.7Å; I296-I311 HydrophobicContact CD1-CB 4.18Å; I296-I311 HydrophobicContact CD1-CG2 3.74Å; I296-I311 HydrophobicContact CG1-CB 4.11Å; I296-I311 HydrophobicContact CG1-CD1 4.14Å; I296-I311 HydrophobicContact CG1-CG2 3.9Å; I296-I312 HydrophobicContact CD1-CG1 3.8Å; I296-L331 HydrophobicContact CD1-CD2 3.96Å
297	A	93	Very high	92.1	Very high	17 Å²	17	58.4 Å²	58.4	14%	0.14	35%	0.345	C	S	.	.	H	α-helix	trans	-71	-38	-179	0	0	0	0	0	112.9	L226 M233 E234 L235 L293 K294 D295 M299	L226-A297 HydrophobicContact CD1-CB 3.67Å; M233-A297 HydrophobicContact CG-CB 3.45Å; M233-A297 VanDerWaalsContact CG-CB 3.45Å; M233-A297 HydrophobicContact SD-CB 3.89Å; E234-A297 WeakPolarHBondContact O-CA 3.31Å; E234-A297 WeakPolarHBondContact O-CB 3.27Å; L235-A297 HydrophobicContact CD2-CB 4.47Å; L293-A297 PolarHBondContact O-N 3.27Å; K294-A297 PolarHBondContact O-N 3.18Å; K294-A297 VanDerWaalsContact O-N 3.12Å; D295-A297 VanDerWaalsContact C-N 3.29Å; D295-A297 PolarHBondContact O-N 2.9Å; A297-M299 VanDerWaalsContact C-N 3.3Å; A297-M299 PolarHBondContact O-N 3.49Å
298	S	92.5	Very high	91.8	Very high	87 Å²	87	56.4 Å²	56.4	61%	0.608	33%	0.33	S	S	*	.	H	α-helix	trans	-69.8	-25.6	178.1	71.5	0	0	0	0	113.6	K294 D295 S300	K294-S298 PolarHBondContact O-N 3.39Å; K294-S298 PolarHBondContact O-OG 2.99Å; D295-S298 PolarHBondContact O-N 2.77Å; D295-S298 PolarHBondContact O-OG 2.92Å; S298-S300 PolarHBondContact O-N 3.42Å
299	M	91.6	Very high	91.4	Very high	51 Å²	51	56.6 Å²	56.6	25%	0.251	33%	0.326	S	S	.	.			trans	-70.6	126	179.7	-80.9	-176.6	168.7	0	0	112.7	D295 A297 A304 K307 K308 I311	D295-M299 VanDerWaalsContact O-CG 3.32Å; D295-M299 WeakPolarHBondContact O-CG 2.92Å; D295-M299 PolarHBondContact O-N 2.94Å; D295-M299 VanDerWaalsContact O-N 3.16Å; A297-M299 VanDerWaalsContact C-N 3.3Å; A297-M299 PolarHBondContact O-N 3.49Å; M299-A304 HydrophobicContact CB-CB 4Å; M299-K307 HydrophobicContact CE-CB 3.67Å; M299-K307 HydrophobicContact CE-CD 3.89Å; M299-K307 HydrophobicContact CE-CG 4.41Å; M299-K307 HydrophobicContact SD-CB 3.75Å; M299-K308 HydrophobicContact CB-CG 4.26Å; M299-K308 WeakPolarHBondContact O-CE 3.41Å; M299-K308 PolarHBondContact O-NZ 3.27Å; M299-K308 HydrophobicContact SD-CG 4.07Å; M299-I311 HydrophobicContact CE-CD1 3.93Å; M299-I311 HydrophobicContact SD-CD1 4.05Å
300	S	85.1	Confident	91.1	Very high	100 Å²	100	61.5 Å²	61.5	70%	0.699	35%	0.349	S	S	*	.			trans	-128.9	161.7	177.9	70	0	0	0	0	112.7	S298 A304	S298-S300 PolarHBondContact O-N 3.42Å; S300-A304 WeakPolarHBondContact O-CB 3.49Å
301	G	82.6	Confident	90.9	Very high	46 Å²	46	62.3 Å²	62.3	47%	0.474	35%	0.353	S	S	.	.	S	Bend	trans	92.8	176.1	-179.4	0	0	0	0	0	115.5	A304	G301-A304 WeakPolarHBondContact O-CB 3.28Å
302	N	79.2	Confident	90.7	Very high	152 Å²	152	59.4 Å²	59.4	81%	0.813	33%	0.333	S	S	*	.	S	Bend	trans	-71.9	-44.6	-176.8	-79.3	-13.3	0	0	0	112.6	A304 Q305	N302-A304 PolarHBondContact O-N 3.33Å; N302-Q305 PolarHBondContact O-N 2.93Å; N302-Q305 VanDerWaalsContact O-N 3.16Å
303	S	82.6	Confident	90.4	Very high	90 Å²	90	61.9 Å²	61.9	63%	0.629	34%	0.341	S	S	*	.	H	α-helix	trans	-65.2	-25.1	178.1	57.1	0	0	0	0	112.7	Q305	S303-Q305 VanDerWaalsContact C-N 3.26Å; S303-Q305 PolarHBondContact O-N 3.46Å
304	A	87.1	Confident	90.2	Very high	5 Å²	5	64.1 Å²	64.1	4%	0.041	36%	0.357	C	S	.	.	H	α-helix	trans	-64.1	-27.4	174.3	0	0	0	0	0	113.4	M299 S300 G301 N302 N306 K307 K308	M299-A304 HydrophobicContact CB-CB 4Å; S300-A304 WeakPolarHBondContact O-CB 3.49Å; G301-A304 WeakPolarHBondContact O-CB 3.28Å; N302-A304 PolarHBondContact O-N 3.33Å; A304-N306 VanDerWaalsContact C-N 3.32Å; A304-N306 PolarHBondContact O-N 3.36Å; A304-K307 PolarHBondContact O-N 3.34Å; A304-K308 WeakPolarHBondContact O-CG 3.45Å; A304-K308 PolarHBondContact O-N 3.49Å
305	Q	87.5	Confident	90.1	Very high	62 Å²	62	60.5 Å²	60.5	29%	0.29	34%	0.341	S	S	.	.	H	α-helix	trans	-63.3	-38.5	-177.6	-60.2	-56.7	-37.9	0	0	112.3	I241 N302 S303 M309	I241-Q305 HydrophobicContact CD1-CB 4.33Å; I241-Q305 HydrophobicContact CD1-CG 4.49Å; N302-Q305 PolarHBondContact O-N 2.93Å; N302-Q305 VanDerWaalsContact O-N 3.16Å; S303-Q305 VanDerWaalsContact C-N 3.26Å; S303-Q305 PolarHBondContact O-N 3.46Å; Q305-M309 PolarHBondContact O-N 3.46Å
306	N	88.8	Confident	89.9	Confident	112 Å²	112	57.4 Å²	57.4	60%	0.599	33%	0.325	S	S	*	.	H	α-helix	trans	-67.6	-42.2	175.4	-69.3	-16.4	0	0	0	111.1	A304 M309 E310	A304-N306 VanDerWaalsContact C-N 3.32Å; A304-N306 PolarHBondContact O-N 3.36Å; N306-M309 WeakPolarHBondContact O-CB 3.36Å; N306-M309 PolarHBondContact O-N 2.86Å; N306-E310 PolarHBondContact O-N 3.17Å
307	K	91.4	Very high	89.6	Confident	127 Å²	127	59.9 Å²	59.9	55%	0.552	34%	0.339	S	S	*	.	H	α-helix	trans	-63	-43.1	176.6	-64.6	-176.3	178.7	-178.6	0	112.1	M299 A304 M309 E310 I311	M299-K307 HydrophobicContact CE-CB 3.67Å; M299-K307 HydrophobicContact CE-CD 3.89Å; M299-K307 HydrophobicContact CE-CG 4.41Å; M299-K307 HydrophobicContact SD-CB 3.75Å; A304-K307 PolarHBondContact O-N 3.34Å; K307-M309 VanDerWaalsContact C-N 3.29Å; K307-M309 PolarHBondContact O-N 3.48Å; K307-E310 PolarHBondContact O-N 3.29Å; K307-I311 WeakPolarHBondContact O-CG1 3.24Å; K307-I311 PolarHBondContact O-N 3.37Å
308	K	92.6	Very high	89.5	Confident	7 Å²	7	59.5 Å²	59.5	3%	0.03	34%	0.336	C	S	.	.	H	α-helix	trans	-56.7	-44.9	173.1	-70.4	-177.2	-171.1	-143.1	0	110.9	L235 I296 M299 A304 E310 I311 I312	L235-K308 PolarHBondContact O-NZ 3.38Å; I296-K308 HydrophobicContact CG2-CD 4.08Å; I296-K308 HydrophobicContact CG2-CG 4.09Å; I296-K308 WeakPolarHBondContact O-CE 3.43Å; I296-K308 PolarHBondContact O-NZ 2.7Å; M299-K308 HydrophobicContact CB-CG 4.26Å; M299-K308 WeakPolarHBondContact O-CE 3.41Å; M299-K308 PolarHBondContact O-NZ 3.27Å; M299-K308 HydrophobicContact SD-CG 4.07Å; A304-K308 WeakPolarHBondContact O-CG 3.45Å; A304-K308 PolarHBondContact O-N 3.49Å; K308-E310 PolarHBondContact O-N 2.99Å; K308-I311 PolarHBondContact O-N 3.3Å; K308-I312 WeakPolarHBondContact O-CD1 3.45Å; K308-I312 WeakPolarHBondContact O-CG1 3.18Å; K308-I312 PolarHBondContact O-N 3Å
309	M	90.3	Very high	89.5	Confident	51 Å²	51	56.4 Å²	56.4	25%	0.251	32%	0.315	S	S	.	.	H	α-helix	trans	-60.5	-42.4	177.9	-173.3	-177.5	67.9	0	0	112.4	I241 A245 Q305 N306 K307 I312 R313	I241-M309 HydrophobicContact CG2-CB 4.33Å; A245-M309 HydrophobicContact CB-CG 4.28Å; Q305-M309 PolarHBondContact O-N 3.46Å; N306-M309 WeakPolarHBondContact O-CB 3.36Å; N306-M309 PolarHBondContact O-N 2.86Å; K307-M309 VanDerWaalsContact C-N 3.29Å; K307-M309 PolarHBondContact O-N 3.48Å; M309-I312 PolarHBondContact O-N 2.82Å; M309-R313 WeakPolarHBondContact O-CB 3.49Å; M309-R313 PolarHBondContact O-N 2.95Å
310	E	91.6	Very high	89.3	Confident	104 Å²	104	57.7 Å²	57.7	49%	0.486	32%	0.317	S	S	.	.	H	α-helix	trans	-64.5	-42.3	176.7	-67.4	-53.1	131.9	0	0	112.4	N306 K307 K308 R313 S314	N306-E310 PolarHBondContact O-N 3.17Å; K307-E310 PolarHBondContact O-N 3.29Å; K308-E310 PolarHBondContact O-N 2.99Å; E310-R313 PolarHBondContact O-N 2.81Å; E310-S314 PolarHBondContact O-N 3.45Å
311	I	94.5	Very high	89.4	Confident	30 Å²	30	57.5 Å²	57.5	15%	0.154	31%	0.305	C	S	.	.	H	α-helix	trans	-62.3	-46.7	175.5	-62	169.1	0	0	0	110.2	K292 D295 I296 M299 K307 K308 R313 S314 L315	K292-I311 HydrophobicContact CB-CG2 3.84Å; K292-I311 HydrophobicContact CD-CG2 4.24Å; K292-I311 HydrophobicContact CG-CG2 4.08Å; D295-I311 HydrophobicContact CB-CD1 4.33Å; I296-I311 HydrophobicContact CD1-CB 4.18Å; I296-I311 HydrophobicContact CD1-CG2 3.74Å; I296-I311 HydrophobicContact CG1-CB 4.11Å; I296-I311 HydrophobicContact CG1-CD1 4.14Å; I296-I311 HydrophobicContact CG1-CG2 3.9Å; M299-I311 HydrophobicContact CE-CD1 3.93Å; M299-I311 HydrophobicContact SD-CD1 4.05Å; K307-I311 WeakPolarHBondContact O-CG1 3.24Å; K307-I311 PolarHBondContact O-N 3.37Å; K308-I311 PolarHBondContact O-N 3.3Å; I311-R313 VanDerWaalsContact C-N 3.34Å; I311-R313 PolarHBondContact O-N 3.36Å; I311-S314 WeakPolarHBondContact O-CB 3.41Å; I311-S314 PolarHBondContact O-N 3.2Å; I311-S314 VanDerWaalsContact O-N 3.17Å; I311-S314 PolarHBondContact O-OG 3.11Å; I311-L315 PolarHBondContact O-N 2.75Å
312	I	93.8	Very high	89.8	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-58.8	-47.2	177.3	-67.2	165.3	0	0	0	110.1	V237 I241 L242 A245 I296 K308 M309 S314 L315 L316 L331	V237-I312 HydrophobicContact CG1-CD1 3.83Å; V237-I312 HydrophobicContact CG2-CD1 4.2Å; I241-I312 HydrophobicContact CG2-CD1 4.33Å; L242-I312 HydrophobicContact CD2-CD1 4.33Å; A245-I312 HydrophobicContact CB-CB 4.35Å; A245-I312 HydrophobicContact CB-CG2 3.67Å; I296-I312 HydrophobicContact CD1-CG1 3.8Å; K308-I312 WeakPolarHBondContact O-CD1 3.45Å; K308-I312 WeakPolarHBondContact O-CG1 3.18Å; K308-I312 PolarHBondContact O-N 3Å; M309-I312 PolarHBondContact O-N 2.82Å; I312-S314 VanDerWaalsContact C-N 3.31Å; I312-S314 PolarHBondContact O-N 3.33Å; I312-L315 WeakPolarHBondContact O-CB 3.41Å; I312-L315 PolarHBondContact O-N 2.55Å; I312-L315 VanDerWaalsContact O-N 3.14Å; I312-L316 HydrophobicContact CG2-CD1 3.82Å; I312-L316 HydrophobicContact CG2-CG 4.17Å; I312-L316 VanDerWaalsContact O-CG 3.31Å; I312-L316 WeakPolarHBondContact O-CG 3.5Å; I312-L316 PolarHBondContact O-N 2.8Å; I312-L331 HydrophobicContact CB-CD1 4.39Å; I312-L331 HydrophobicContact CD1-CD1 4.34Å; I312-L331 HydrophobicContact CD1-CD2 4.28Å; I312-L331 HydrophobicContact CG1-CD1 3.87Å; I312-L331 HydrophobicContact CG1-CD2 4.03Å; I312-L331 HydrophobicContact CG2-CD1 3.77Å
313	R	90.6	Very high	90.4	Very high	106 Å²	106	48.7 Å²	48.7	40%	0.4	25%	0.248	S	C	.	.	H	α-helix	trans	-58.7	-43.3	176.7	-172.2	-179.4	-176.1	177.2	1.1	111.4	M309 E310 I311 L315 L316 V317	M309-R313 WeakPolarHBondContact O-CB 3.49Å; M309-R313 PolarHBondContact O-N 2.95Å; E310-R313 PolarHBondContact O-N 2.81Å; I311-R313 VanDerWaalsContact C-N 3.34Å; I311-R313 PolarHBondContact O-N 3.36Å; R313-L315 VanDerWaalsContact C-N 3.26Å; R313-L315 PolarHBondContact O-N 3.19Å; R313-L316 PolarHBondContact O-N 2.63Å; R313-V317 HydrophobicContact CG-CG2 4.26Å; R313-V317 VanDerWaalsContact O-CG2 3.25Å; R313-V317 WeakPolarHBondContact O-CG2 3.27Å; R313-V317 PolarHBondContact O-N 2.93Å
314	S	91.9	Very high	90.8	Very high	51 Å²	51	45.6 Å²	45.6	36%	0.357	23%	0.225	S	C	.	.	H	α-helix	trans	-60	-36.3	177.5	85	0	0	0	0	112.8	K292 E310 I311 I312	K292-S314 PolarHBondContact NZ-OG 3.37Å; E310-S314 PolarHBondContact O-N 3.45Å; I311-S314 WeakPolarHBondContact O-CB 3.41Å; I311-S314 PolarHBondContact O-N 3.2Å; I311-S314 VanDerWaalsContact O-N 3.17Å; I311-S314 PolarHBondContact O-OG 3.11Å; I312-S314 VanDerWaalsContact C-N 3.31Å; I312-S314 PolarHBondContact O-N 3.33Å
315	L	94.3	Very high	90.9	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-69.2	-51	175	-73.2	169.7	0	0	0	110.5	L284 V289 K292 I311 I312 R313 V317 A318 C319 I327	L284-L315 HydrophobicContact CD2-CD2 3.87Å; V289-L315 HydrophobicContact CG2-CD2 4.1Å; K292-L315 HydrophobicContact CB-CD1 4.23Å; K292-L315 HydrophobicContact CB-CD2 4.43Å; K292-L315 HydrophobicContact CD-CD1 4.41Å; K292-L315 HydrophobicContact CD-CD2 3.51Å; K292-L315 HydrophobicContact CD-CG 3.87Å; I311-L315 PolarHBondContact O-N 2.75Å; I312-L315 WeakPolarHBondContact O-CB 3.41Å; I312-L315 PolarHBondContact O-N 2.55Å; I312-L315 VanDerWaalsContact O-N 3.14Å; R313-L315 VanDerWaalsContact C-N 3.26Å; R313-L315 PolarHBondContact O-N 3.19Å; L315-V317 VanDerWaalsContact C-N 3.3Å; L315-V317 PolarHBondContact O-N 3.06Å; L315-A318 PolarHBondContact O-N 3.3Å; L315-C319 PolarHBondContact O-N 3.46Å; L315-C319 VanDerWaalsContact O-N 3.17Å; L315-C319 PolarHBondContact O-SG 3.21Å; L315-I327 HydrophobicContact CB-CD1 4.49Å
316	L	91.1	Very high	91.3	Very high	8 Å²	8	44.5 Å²	44.5	4%	0.042	22%	0.218	C	C	.	.	H	α-helix	trans	-62.9	-34.1	-175.6	-64.1	176.8	0	0	0	113.2	A245 L246 T249 I312 R313 A318 C319 T324 I327 I328	A245-L316 HydrophobicContact CB-CD1 4.32Å; L246-L316 HydrophobicContact CD1-CD1 4.25Å; T249-L316 HydrophobicContact CG2-CB 3.79Å; I312-L316 HydrophobicContact CG2-CD1 3.82Å; I312-L316 HydrophobicContact CG2-CG 4.17Å; I312-L316 VanDerWaalsContact O-CG 3.31Å; I312-L316 WeakPolarHBondContact O-CG 3.5Å; I312-L316 PolarHBondContact O-N 2.8Å; R313-L316 PolarHBondContact O-N 2.63Å; L316-A318 VanDerWaalsContact C-N 3.28Å; L316-A318 PolarHBondContact O-N 3.11Å; L316-C319 WeakPolarHBondContact O-CB 3.39Å; L316-C319 PolarHBondContact O-N 3.17Å; L316-T324 HydrophobicContact CD2-CG2 4.22Å; L316-I327 HydrophobicContact CD2-CG2 4.19Å; L316-I328 HydrophobicContact CD1-CD1 4.07Å; L316-I328 HydrophobicContact CD2-CD1 3.74Å; L316-I328 HydrophobicContact CD2-CG1 3.92Å
317	V	89.2	Confident	91.6	Very high	51 Å²	51	39.2 Å²	39.2	31%	0.309	19%	0.19	S	C	.	.	H	α-helix	trans	-69.3	-27.4	176.6	173.7	0	0	0	0	111.9	T249 I277 P281 R313 L315	T249-V317 HydrophobicContact CG2-CG2 3.8Å; I277-V317 HydrophobicContact CD1-CG1 3.79Å; P281-V317 HydrophobicContact CG-CG1 3.96Å; R313-V317 HydrophobicContact CG-CG2 4.26Å; R313-V317 VanDerWaalsContact O-CG2 3.25Å; R313-V317 WeakPolarHBondContact O-CG2 3.27Å; R313-V317 PolarHBondContact O-N 2.93Å; L315-V317 VanDerWaalsContact C-N 3.3Å; L315-V317 PolarHBondContact O-N 3.06Å
318	A	91.4	Very high	91.6	Very high	9 Å²	9	33.2 Å²	33.2	7%	0.074	16%	0.164	C	C	.	.	H	α-helix	trans	-89.1	-12.4	178.6	0	0	0	0	0	113.8	P281 L284 L315 L316	P281-A318 HydrophobicContact CB-CB 3.88Å; P281-A318 HydrophobicContact CG-CB 4.3Å; L284-A318 HydrophobicContact CD1-CB 4.45Å; L284-A318 HydrophobicContact CD2-CB 3.75Å; L284-A318 HydrophobicContact CG-CB 3.94Å; L315-A318 PolarHBondContact O-N 3.3Å; L316-A318 VanDerWaalsContact C-N 3.28Å; L316-A318 PolarHBondContact O-N 3.11Å
319	C	91.3	Very high	91.5	Very high	23 Å²	23	33.5 Å²	33.5	16%	0.155	17%	0.165	C	C	.	.			trans	-61.7	143.4	-178.6	-72.2	0	0	0	0	113.2	L315 L316 E323 T324 I327	L315-C319 PolarHBondContact O-N 3.46Å; L315-C319 VanDerWaalsContact O-N 3.17Å; L315-C319 PolarHBondContact O-SG 3.21Å; L316-C319 WeakPolarHBondContact O-CB 3.39Å; L316-C319 PolarHBondContact O-N 3.17Å; C319-E323 WeakPolarHBondContact CA-OE2 3.36Å; C319-E323 HydrophobicContact CB-CB 4.05Å; C319-T324 WeakPolarHBondContact CB-OG1 3.49Å; C319-I327 WeakPolarHBondContact SG-CD1 3.44Å
320	R	88.1	Confident	91.7	Very high	77 Å²	77	31.1 Å²	31.1	29%	0.291	15%	0.153	S	C	.	.			trans	-122.5	145.6	174.5	-58.2	178.6	-179.4	-138.1	-4.6	108.9	L178 S322 E323	L178-R320 HydrophobicContact CD2-CB 4.26Å; R320-S322 PolarHBondContact O-N 3.02Å; R320-S322 VanDerWaalsContact O-N 3.14Å; R320-E323 PolarHBondContact N-OE2 2.87Å; R320-E323 VanDerWaalsContact O-CB 3.25Å; R320-E323 WeakPolarHBondContact O-CB 3.43Å; R320-E323 VanDerWaalsContact O-CG 3.24Å; R320-E323 WeakPolarHBondContact O-CG 3.24Å; R320-E323 PolarHBondContact O-N 3.32Å
321	E	87.5	Confident	91.8	Very high	97 Å²	97	26.3 Å²	26.3	45%	0.453	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.9	-118.1	170.6	-55.8	177.8	175.6	0	0	113.5	L178 R182	L178-E321 HydrophobicContact CD1-CB 4.02Å; R182-E321 IonicContact CZ-OE2 3.97Å; R182-E321 VanDerWaalsContact CZ-OE2 3.27Å; R182-E321 IonicContact NE-OE2 2.78Å; R182-E321 PolarHBondContact NE-OE2 2.96Å; R182-E321 VanDerWaalsContact NE-OE2 3.15Å; R182-E321 IonicContact NH2-OE1 3.98Å; R182-E321 IonicContact NH2-OE2 2.71Å; R182-E321 PolarHBondContact NH2-OE2 2.83Å
322	S	90.1	Very high	91.5	Very high	11 Å²	11	26.9 Å²	26.9	8%	0.077	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-3.9	-177.7	58.4	0	0	0	0	114.3	R320 T324 K325 Y326	R320-S322 PolarHBondContact O-N 3.02Å; R320-S322 VanDerWaalsContact O-N 3.14Å; S322-T324 VanDerWaalsContact C-N 3.3Å; S322-T324 PolarHBondContact O-N 2.98Å; S322-K325 WeakPolarHBondContact O-CB 3.29Å; S322-K325 PolarHBondContact O-N 3.18Å; S322-K325 VanDerWaalsContact O-N 3.17Å; S322-Y326 VanDerWaalsContact O-CD2 3.23Å; S322-Y326 WeakPolarHBondContact O-CD2 3.11Å; S322-Y326 PolarHBondContact O-N 2.75Å
323	E	92.9	Very high	91.3	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.009	14%	0.144	C	C	.	.	H	α-helix	trans	-59.4	-39.8	-179.5	-65.3	-177.5	133.1	0	0	112.3	Y177 L178 A181 C319 R320 K325 Y326 I327	Y177-E323 HydrophobicContact CD1-CB 3.92Å; Y177-E323 HydrophobicContact CD1-CG 3.7Å; Y177-E323 HydrophobicContact CE1-CB 4.01Å; Y177-E323 HydrophobicContact CE1-CG 4.21Å; L178-E323 WeakPolarHBondContact CA-OE1 3.47Å; L178-E323 HydrophobicContact CB-CG 3.96Å; L178-E323 WeakPolarHBondContact CB-OE1 3.38Å; L178-E323 HydrophobicContact CD1-CG 3.92Å; L178-E323 PolarHBondContact N-OE1 3.36Å; A181-E323 HydrophobicContact CB-CG 4.16Å; C319-E323 WeakPolarHBondContact CA-OE2 3.36Å; C319-E323 HydrophobicContact CB-CB 4.05Å; R320-E323 PolarHBondContact N-OE2 2.87Å; R320-E323 VanDerWaalsContact O-CB 3.25Å; R320-E323 WeakPolarHBondContact O-CB 3.43Å; R320-E323 VanDerWaalsContact O-CG 3.24Å; R320-E323 WeakPolarHBondContact O-CG 3.24Å; R320-E323 PolarHBondContact O-N 3.32Å; E323-K325 VanDerWaalsContact C-N 3.27Å; E323-K325 PolarHBondContact O-N 3.48Å; E323-Y326 PolarHBondContact O-N 3.01Å; E323-I327 WeakPolarHBondContact O-CB 3.22Å; E323-I327 PolarHBondContact O-N 2.92Å
324	T	91	Very high	91.1	Very high	24 Å²	24	26.6 Å²	26.6	15%	0.147	14%	0.143	C	C	.	.	H	α-helix	trans	-56.8	-43.5	179.2	-57	0	0	0	0	111.3	L246 L316 C319 S322 I328	L246-T324 HydrophobicContact CD1-CG2 4.41Å; L316-T324 HydrophobicContact CD2-CG2 4.22Å; C319-T324 WeakPolarHBondContact CB-OG1 3.49Å; S322-T324 VanDerWaalsContact C-N 3.3Å; S322-T324 PolarHBondContact O-N 2.98Å; T324-I328 HydrophobicContact CG2-CG1 4.46Å; T324-I328 WeakPolarHBondContact O-CB 3.42Å; T324-I328 VanDerWaalsContact O-CG1 3.27Å; T324-I328 WeakPolarHBondContact O-CG1 3.43Å; T324-I328 PolarHBondContact O-N 3.14Å; T324-I328 VanDerWaalsContact O-N 3.09Å
325	K	90.1	Very high	91	Very high	44 Å²	44	24.8 Å²	24.8	19%	0.191	13%	0.129	C	C	.	.	H	α-helix	trans	-59.7	-50.7	-179.6	174.9	179.9	179	-172.5	0	110.7	E188 G268 S322 E323 R329	E188-K325 WeakPolarHBondContact OE1-CE 3.46Å; E188-K325 IonicContact OE1-NZ 3.13Å; E188-K325 PolarHBondContact OE1-NZ 3.29Å; E188-K325 VanDerWaalsContact OE2-CE 3.28Å; E188-K325 WeakPolarHBondContact OE2-CE 3.26Å; E188-K325 IonicContact OE2-NZ 3.58Å; E188-K325 PolarHBondContact OE2-NZ 2.92Å; G268-K325 WeakPolarHBondContact O-CA 3.28Å; G268-K325 VanDerWaalsContact O-CB 3.26Å; G268-K325 WeakPolarHBondContact O-CB 3.46Å; G268-K325 WeakPolarHBondContact O-CG 3.36Å; S322-K325 WeakPolarHBondContact O-CB 3.29Å; S322-K325 PolarHBondContact O-N 3.18Å; S322-K325 VanDerWaalsContact O-N 3.17Å; E323-K325 VanDerWaalsContact C-N 3.27Å; E323-K325 PolarHBondContact O-N 3.48Å; K325-R329 WeakPolarHBondContact O-CB 3.39Å; K325-R329 VanDerWaalsContact O-CG 3.29Å; K325-R329 WeakPolarHBondContact O-CG 3.28Å; K325-R329 PolarHBondContact O-N 2.95Å
326	Y	94.3	Very high	90.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-77.3	-32.8	-174.7	-61.8	-65.6	0	0	0	113.3	A181 F184 E185 E188 S322 E323 R329 S330 L335 I337	A181-Y326 HydrophobicContact CB-CD2 3.74Å; A181-Y326 HydrophobicContact CB-CE2 4.36Å; A181-Y326 WeakPolarHBondContact O-CE2 3.42Å; F184-Y326 HydrophobicContact CB-CD1 3.78Å; F184-Y326 HydrophobicContact CB-CD2 4.15Å; F184-Y326 HydrophobicContact CB-CE1 3.51Å; F184-Y326 HydrophobicContact CB-CE2 3.88Å; F184-Y326 HydrophobicContact CB-CG 4.11Å; F184-Y326 AromaticContact CD2-CD1 3.71Å; F184-Y326 HydrophobicContact CD2-CD1 3.71Å; F184-Y326 HydrophobicContact CD2-CD2 4.29Å; F184-Y326 HydrophobicContact CD2-CE1 4.35Å; F184-Y326 AromaticContact CD2-CG 3.71Å; F184-Y326 HydrophobicContact CD2-CG 3.71Å; F184-Y326 HydrophobicContact CG-CD1 4.18Å; F184-Y326 HydrophobicContact CG-CE1 4.37Å; F184-Y326 HydrophobicContact CG-CG 4.43Å; E185-Y326 WeakPolarHBondContact CA-OH 3.26Å; E185-Y326 HydrophobicContact CB-CE2 4.31Å; E185-Y326 PolarHBondContact N-OH 3.16Å; E188-Y326 PolarHBondContact OE2-OH 2.82Å; S322-Y326 VanDerWaalsContact O-CD2 3.23Å; S322-Y326 WeakPolarHBondContact O-CD2 3.11Å; S322-Y326 PolarHBondContact O-N 2.75Å; E323-Y326 PolarHBondContact O-N 3.01Å; Y326-R329 PolarHBondContact O-N 3.48Å; Y326-S330 WeakPolarHBondContact O-CB 3.07Å; Y326-S330 PolarHBondContact O-N 3.48Å; Y326-S330 PolarHBondContact O-OG 2.94Å; Y326-L335 HydrophobicContact CD1-CD1 4.07Å; Y326-I337 HydrophobicContact CD1-CG2 4.32Å; Y326-I337 HydrophobicContact CE1-CG2 3.7Å
327	I	94.6	Very high	90.7	Very high	2 Å²	2	31 Å²	31	1%	0.01	15%	0.152	C	C	.	.	H	α-helix	trans	-62.9	-47	171.8	-75.6	170.5	0	0	0	111	Y177 L284 L315 L316 C319 E323 R329 S330 L331	Y177-I327 HydrophobicContact CD1-CD1 4.13Å; Y177-I327 HydrophobicContact CD1-CG1 4.34Å; Y177-I327 HydrophobicContact CE1-CD1 3.77Å; Y177-I327 HydrophobicContact CE1-CG1 3.52Å; Y177-I327 PolarHBondContact OH-N 2.95Å; L284-I327 HydrophobicContact CD1-CD1 3.52Å; L315-I327 HydrophobicContact CB-CD1 4.49Å; L316-I327 HydrophobicContact CD2-CG2 4.19Å; C319-I327 WeakPolarHBondContact SG-CD1 3.44Å; E323-I327 WeakPolarHBondContact O-CB 3.22Å; E323-I327 PolarHBondContact O-N 2.92Å; I327-R329 VanDerWaalsContact C-N 3.33Å; I327-R329 PolarHBondContact O-N 3.26Å; I327-S330 PolarHBondContact O-N 3.46Å; I327-L331 HydrophobicContact CG2-CD1 3.67Å; I327-L331 HydrophobicContact CG2-CG 4.31Å; I327-L331 WeakPolarHBondContact O-CB 3.22Å; I327-L331 VanDerWaalsContact O-CG 3.27Å; I327-L331 WeakPolarHBondContact O-CG 3.26Å; I327-L331 PolarHBondContact O-N 3.42Å
328	I	92.1	Very high	90.7	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-62.9	-41.5	178.6	-70.9	-66	0	0	0	111.1	L242 L246 L267 L316 T324 L331 S332	L242-I328 HydrophobicContact CD2-CD1 4.21Å; L246-I328 HydrophobicContact CD1-CD1 4.32Å; L246-I328 HydrophobicContact CD1-CG1 4.48Å; L246-I328 HydrophobicContact CD2-CD1 4.43Å; L267-I328 HydrophobicContact CB-CG2 3.47Å; L267-I328 VanDerWaalsContact CB-CG2 3.47Å; L316-I328 HydrophobicContact CD1-CD1 4.07Å; L316-I328 HydrophobicContact CD2-CD1 3.74Å; L316-I328 HydrophobicContact CD2-CG1 3.92Å; T324-I328 HydrophobicContact CG2-CG1 4.46Å; T324-I328 WeakPolarHBondContact O-CB 3.42Å; T324-I328 VanDerWaalsContact O-CG1 3.27Å; T324-I328 WeakPolarHBondContact O-CG1 3.43Å; T324-I328 PolarHBondContact O-N 3.14Å; T324-I328 VanDerWaalsContact O-N 3.09Å; I328-L331 PolarHBondContact O-N 3.17Å; I328-S332 WeakPolarHBondContact O-CB 3.29Å; I328-S332 PolarHBondContact O-N 2.96Å; I328-S332 PolarHBondContact O-OG 3.3Å
329	R	91.1	Very high	90.8	Very high	13 Å²	13	32.8 Å²	32.8	5%	0.049	18%	0.175	C	C	.	.	H	α-helix	trans	-63.7	-42.3	175.8	-79.7	173.2	163.3	-166.6	10.5	112.3	E188 D266 K325 Y326 I327 S332 G333 K334 L335 R336	E188-R329 VanDerWaalsContact CD-NH1 3.25Å; E188-R329 IonicContact OE1-CZ 3.77Å; E188-R329 IonicContact OE1-NH1 2.62Å; E188-R329 PolarHBondContact OE1-NH1 3.02Å; E188-R329 IonicContact OE1-NH2 3.99Å; E188-R329 PolarHBondContact OE1-NH2 3.21Å; E188-R329 IonicContact OE2-CZ 2.67Å; E188-R329 IonicContact OE2-NH1 2.98Å; E188-R329 PolarHBondContact OE2-NH1 3.07Å; D266-R329 IonicContact OD1-NE 3.49Å; D266-R329 IonicContact OD2-CZ 3.45Å; D266-R329 IonicContact OD2-NE 2.86Å; D266-R329 PolarHBondContact OD2-NE 3.43Å; D266-R329 IonicContact OD2-NH2 2.72Å; D266-R329 PolarHBondContact OD2-NH2 3.48Å; K325-R329 WeakPolarHBondContact O-CB 3.39Å; K325-R329 VanDerWaalsContact O-CG 3.29Å; K325-R329 WeakPolarHBondContact O-CG 3.28Å; K325-R329 PolarHBondContact O-N 2.95Å; Y326-R329 PolarHBondContact O-N 3.48Å; I327-R329 VanDerWaalsContact C-N 3.33Å; I327-R329 PolarHBondContact O-N 3.26Å; R329-S332 WeakPolarHBondContact O-CB 3.06Å; R329-S332 PolarHBondContact O-N 2.97Å; R329-G333 PolarHBondContact O-N 2.75Å; R329-K334 WeakPolarHBondContact CB-O 3.15Å; R329-K334 CarbonylContact O-C 3.52Å; R329-K334 PolarHBondContact O-N 2.98Å; R329-L335 HydrophobicContact CB-CD1 4.33Å; R329-L335 VanDerWaalsContact CD-O 3.31Å; R329-L335 WeakPolarHBondContact CD-O 3.46Å; R329-L335 PolarHBondContact NH1-O 3.22Å; R329-R336 PolarHBondContact NH1-O 2.93Å
330	S	93.8	Very high	90.8	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.007	19%	0.185	C	C	.	.	H	α-helix	trans	-62.9	-47.4	174.9	-74.9	0	0	0	0	112.1	N224 L235 Y326 I327 S332 G333	N224-S330 WeakPolarHBondContact OD1-CA 3.42Å; N224-S330 VanDerWaalsContact OD1-CB 3.26Å; N224-S330 WeakPolarHBondContact OD1-CB 3.06Å; N224-S330 PolarHBondContact OD1-OG 3.39Å; L235-S330 VanDerWaalsContact CD1-O 3.29Å; L235-S330 WeakPolarHBondContact CD1-O 3.38Å; Y326-S330 WeakPolarHBondContact O-CB 3.07Å; Y326-S330 PolarHBondContact O-N 3.48Å; Y326-S330 PolarHBondContact O-OG 2.94Å; I327-S330 PolarHBondContact O-N 3.46Å; S330-S332 PolarHBondContact O-N 3.37Å; S330-G333 PolarHBondContact O-N 3.09Å
331	L	93.4	Very high	91.1	Very high	3 Å²	3	31.3 Å²	31.3	2%	0.016	18%	0.177	C	C	.	.	H	α-helix	trans	-61	-30.5	175.1	-70.9	167.5	0	0	0	113.3	L235 V237 L242 L293 I296 I312 I327 I328 G333	L235-L331 HydrophobicContact CD2-CD2 4.47Å; V237-L331 HydrophobicContact CG2-CD2 4.46Å; L242-L331 HydrophobicContact CD1-CB 4.3Å; L242-L331 HydrophobicContact CD2-CB 3.52Å; L242-L331 HydrophobicContact CD2-CD1 3.78Å; L242-L331 HydrophobicContact CD2-CG 4.25Å; L293-L331 HydrophobicContact CD2-CD2 3.56Å; L293-L331 HydrophobicContact CD2-CG 4.16Å; I296-L331 HydrophobicContact CD1-CD2 3.96Å; I312-L331 HydrophobicContact CB-CD1 4.39Å; I312-L331 HydrophobicContact CD1-CD1 4.34Å; I312-L331 HydrophobicContact CD1-CD2 4.28Å; I312-L331 HydrophobicContact CG1-CD1 3.87Å; I312-L331 HydrophobicContact CG1-CD2 4.03Å; I312-L331 HydrophobicContact CG2-CD1 3.77Å; I327-L331 HydrophobicContact CG2-CD1 3.67Å; I327-L331 HydrophobicContact CG2-CG 4.31Å; I327-L331 WeakPolarHBondContact O-CB 3.22Å; I327-L331 VanDerWaalsContact O-CG 3.27Å; I327-L331 WeakPolarHBondContact O-CG 3.26Å; I327-L331 PolarHBondContact O-N 3.42Å; I328-L331 PolarHBondContact O-N 3.17Å; L331-G333 PolarHBondContact O-N 3.46Å
332	S	89.6	Confident	91.4	Very high	42 Å²	42	30.4 Å²	30.4	29%	0.294	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-6.9	174.9	-58.2	0	0	0	0	113.4	L242 I328 R329 S330 K334	L242-S332 WeakPolarHBondContact CD1-OG 3.25Å; I328-S332 WeakPolarHBondContact O-CB 3.29Å; I328-S332 PolarHBondContact O-N 2.96Å; I328-S332 PolarHBondContact O-OG 3.3Å; R329-S332 WeakPolarHBondContact O-CB 3.06Å; R329-S332 PolarHBondContact O-N 2.97Å; S330-S332 PolarHBondContact O-N 3.37Å; S332-K334 VanDerWaalsContact C-N 3.25Å; S332-K334 PolarHBondContact O-N 3.46Å
333	G	88.7	Confident	91.8	Very high	13 Å²	13	30.3 Å²	30.3	13%	0.134	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	12.8	-175.1	0	0	0	0	0	114.2	N224 R329 S330 L331	N224-G333 WeakPolarHBondContact ND2-CA 3.42Å; N224-G333 PolarHBondContact ND2-O 2.71Å; R329-G333 PolarHBondContact O-N 2.75Å; S330-G333 PolarHBondContact O-N 3.09Å; L331-G333 PolarHBondContact O-N 3.46Å
334	K	86.5	Confident	92	Very high	86 Å²	86	30.2 Å²	30.2	37%	0.374	17%	0.171	S	C	.	.			trans	-140.5	92.4	-173.3	-61.8	-177.6	-174.1	179.9	0	111	N224 R329 S332 R336	N224-K334 PolarHBondContact ND2-N 3.32Å; R329-K334 WeakPolarHBondContact CB-O 3.15Å; R329-K334 CarbonylContact O-C 3.52Å; R329-K334 PolarHBondContact O-N 2.98Å; S332-K334 VanDerWaalsContact C-N 3.25Å; S332-K334 PolarHBondContact O-N 3.46Å; K334-R336 HydrophobicContact CB-CG 4.15Å
335	L	90.7	Very high	92.3	Very high	13 Å²	13	29 Å²	29	7%	0.068	16%	0.164	C	C	.	.			trans	-70	-36.3	-178.5	-165.8	62.3	0	0	0	113.6	F184 N224 Y326 R329 I337	F184-L335 HydrophobicContact CD2-CD1 4.21Å; F184-L335 HydrophobicContact CD2-CD2 4.47Å; F184-L335 HydrophobicContact CE1-CD2 4.14Å; F184-L335 HydrophobicContact CE2-CD1 4.02Å; F184-L335 HydrophobicContact CE2-CD2 4Å; F184-L335 HydrophobicContact CZ-CD2 3.81Å; N224-L335 HydrophobicContact CB-CB 4.03Å; Y326-L335 HydrophobicContact CD1-CD1 4.07Å; R329-L335 HydrophobicContact CB-CD1 4.33Å; R329-L335 VanDerWaalsContact CD-O 3.31Å; R329-L335 WeakPolarHBondContact CD-O 3.46Å; R329-L335 PolarHBondContact NH1-O 3.22Å; L335-I337 HydrophobicContact CD2-CD1 3.54Å; L335-I337 HydrophobicContact CD2-CG1 3.93Å; L335-I337 HydrophobicContact CG-CD1 4.04Å; L335-I337 HydrophobicContact CG-CG1 4Å; L335-I337 HydrophobicContact CG-CG2 4.14Å; L335-I337 PolarHBondContact O-N 3.22Å
336	R	85.9	Confident	92.7	Very high	129 Å²	129	28.1 Å²	28.1	49%	0.487	16%	0.162	S	C	.	.			trans	51.3	49.7	172.1	-63.8	179.6	169.1	177.3	-2.1	114.6	G265 R329 K334	G265-R336 PolarHBondContact O-NH1 3.43Å; R329-R336 PolarHBondContact NH1-O 2.93Å; K334-R336 HydrophobicContact CB-CG 4.15Å
337	I	91.8	Very high	92.9	Very high	10 Å²	10	28.1 Å²	28.1	5%	0.051	16%	0.162	C	C	.	.	S	Bend	trans	-112.5	7	177	59.8	170.2	0	0	0	113.2	F184 I187 E188 Y326 L335 L339	F184-I337 HydrophobicContact CB-CD1 4.28Å; F184-I337 HydrophobicContact CB-CG2 4.34Å; F184-I337 HydrophobicContact CD1-CD1 3.43Å; F184-I337 VanDerWaalsContact CD1-CD1 3.43Å; F184-I337 HydrophobicContact CE1-CD1 3.85Å; F184-I337 HydrophobicContact CG-CD1 3.93Å; I187-I337 HydrophobicContact CG2-CB 4.36Å; I187-I337 HydrophobicContact CG2-CD1 4.32Å; I187-I337 HydrophobicContact CG2-CG1 4.47Å; I187-I337 WeakPolarHBondContact CG2-O 3.21Å; E188-I337 HydrophobicContact CB-CB 4.34Å; E188-I337 HydrophobicContact CB-CG2 4.2Å; Y326-I337 HydrophobicContact CD1-CG2 4.32Å; Y326-I337 HydrophobicContact CE1-CG2 3.7Å; L335-I337 HydrophobicContact CD2-CD1 3.54Å; L335-I337 HydrophobicContact CD2-CG1 3.93Å; L335-I337 HydrophobicContact CG-CD1 4.04Å; L335-I337 HydrophobicContact CG-CG1 4Å; L335-I337 HydrophobicContact CG-CG2 4.14Å; L335-I337 PolarHBondContact O-N 3.22Å; I337-L339 HydrophobicContact CD1-CB 3.81Å; I337-L339 HydrophobicContact CD1-CD2 4.01Å; I337-L339 HydrophobicContact CG1-CB 3.75Å; I337-L339 PolarHBondContact O-N 3.12Å
338	G	88.9	Confident	93.1	Very high	68 Å²	68	28 Å²	28	70%	0.701	16%	0.161	S	C	*	.	S	Bend	trans	70.4	16	-177.7	0	0	0	0	0	114.8
339	L	93.4	Very high	93.4	Very high	29 Å²	29	28 Å²	28	15%	0.152	16%	0.161	C	C	.	.			trans	-92.3	119.4	178.8	-176.3	62.7	0	0	0	111.2	I187 I196 L200 C222 I337 T343 V344	I187-L339 HydrophobicContact CD1-CD2 4.37Å; I187-L339 HydrophobicContact CG2-CB 4.39Å; I196-L339 HydrophobicContact CG2-CD1 3.92Å; L200-L339 HydrophobicContact CD2-CD1 3.84Å; L200-L339 HydrophobicContact CD2-CD2 4.05Å; C222-L339 HydrophobicContact CB-CD2 3.89Å; I337-L339 HydrophobicContact CD1-CB 3.81Å; I337-L339 HydrophobicContact CD1-CD2 4.01Å; I337-L339 HydrophobicContact CG1-CB 3.75Å; I337-L339 PolarHBondContact O-N 3.12Å; L339-T343 HydrophobicContact CD1-CG2 3.67Å; L339-V344 HydrophobicContact CD1-CG2 4.05Å; L339-V344 HydrophobicContact CD2-CG2 3.81Å; L339-V344 HydrophobicContact CG-CG2 3.83Å
340	A	92.3	Very high	93.8	Very high	45 Å²	45	29.4 Å²	29.4	37%	0.372	17%	0.168	S	C	.	.			trans	-97.7	155.3	176.5	0	0	0	0	0	111.9	Q342 T343 V344	A340-Q342 VanDerWaalsContact C-N 3.28Å; A340-Q342 PolarHBondContact O-N 2.9Å; A340-T343 WeakPolarHBondContact O-CA 3.27Å; A340-T343 VanDerWaalsContact O-CB 3.29Å; A340-T343 WeakPolarHBondContact O-CB 3.28Å; A340-T343 PolarHBondContact O-N 3.09Å; A340-V344 PolarHBondContact O-N 3.37Å; A340-V344 VanDerWaalsContact O-N 3.08Å
341	E	94	Very high	94	Very high	24 Å²	24	29.3 Å²	29.3	11%	0.112	17%	0.168	C	C	.	.	H	α-helix	trans	-59.9	-36.9	179.7	-169.7	177.4	-135.1	0	0	112.9	L223 R225 T343 V344 L345 Y395 Y401 K429	L223-E341 HydrophobicContact CD1-CG 4.34Å; L223-E341 HydrophobicContact CD2-CB 3.83Å; L223-E341 HydrophobicContact CD2-CG 3.84Å; R225-E341 IonicContact CZ-OE1 2.72Å; R225-E341 IonicContact NH1-OE1 3.02Å; R225-E341 PolarHBondContact NH1-OE1 3.44Å; R225-E341 IonicContact NH2-OE1 3.05Å; R225-E341 PolarHBondContact NH2-OE1 2.84Å; R225-E341 IonicContact NH2-OE2 2.83Å; E341-T343 VanDerWaalsContact C-N 3.27Å; E341-T343 PolarHBondContact O-N 3Å; E341-V344 WeakPolarHBondContact O-CB 3.46Å; E341-V344 PolarHBondContact O-N 3.43Å; E341-L345 PolarHBondContact O-N 3.35Å; E341-Y395 HydrophobicContact CG-CE1 4.48Å; E341-Y395 PolarHBondContact OE1-OH 3.08Å; E341-Y401 WeakPolarHBondContact CG-OH 3.41Å; E341-Y401 PolarHBondContact OE1-OH 2.86Å; E341-K429 IonicContact OE2-NZ 2.84Å; E341-K429 PolarHBondContact OE2-NZ 3.34Å
342	Q	94.5	Very high	94.2	Very high	79 Å²	79	29.2 Å²	29.2	37%	0.369	17%	0.167	S	C	.	.	H	α-helix	trans	-63.7	-33.6	174.8	-71.6	-61	-26.6	0	0	112.4	A340 T346	A340-Q342 VanDerWaalsContact C-N 3.28Å; A340-Q342 PolarHBondContact O-N 2.9Å; Q342-T346 WeakPolarHBondContact O-CB 3.43Å; Q342-T346 PolarHBondContact O-N 2.8Å; Q342-T346 PolarHBondContact O-OG1 2.97Å
343	T	97.4	Very high	94.5	Very high	8 Å²	8	27.6 Å²	27.6	5%	0.049	16%	0.156	C	C	.	.	H	α-helix	trans	-69.9	-39.7	174.3	-56.9	0	0	0	0	110.9	I196 L339 A340 E341 T346 A347	I196-T343 HydrophobicContact CG2-CG2 3.79Å; L339-T343 HydrophobicContact CD1-CG2 3.67Å; A340-T343 WeakPolarHBondContact O-CA 3.27Å; A340-T343 VanDerWaalsContact O-CB 3.29Å; A340-T343 WeakPolarHBondContact O-CB 3.28Å; A340-T343 PolarHBondContact O-N 3.09Å; E341-T343 VanDerWaalsContact C-N 3.27Å; E341-T343 PolarHBondContact O-N 3Å; T343-T346 PolarHBondContact O-N 3.07Å; T343-A347 VanDerWaalsContact O-CB 3.31Å; T343-A347 WeakPolarHBondContact O-CB 3.43Å; T343-A347 PolarHBondContact O-N 2.84Å
344	V	98.2	Very high	94.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-60.5	-47.8	173.9	177.2	0	0	0	0	111.4	L200 F204 V219 C222 L223 L339 A340 E341 A347 L348	L200-V344 HydrophobicContact CD2-CB 4.33Å; L200-V344 HydrophobicContact CD2-CG2 3.93Å; F204-V344 HydrophobicContact CE2-CG1 4.08Å; F204-V344 HydrophobicContact CZ-CG1 4.01Å; V219-V344 HydrophobicContact CG1-CG1 4.06Å; C222-V344 HydrophobicContact CB-CG2 4.25Å; L223-V344 HydrophobicContact CD2-CB 4.15Å; L223-V344 HydrophobicContact CD2-CG1 4.48Å; L223-V344 HydrophobicContact CD2-CG2 3.69Å; L223-V344 HydrophobicContact CG-CG2 4.33Å; L339-V344 HydrophobicContact CD1-CG2 4.05Å; L339-V344 HydrophobicContact CD2-CG2 3.81Å; L339-V344 HydrophobicContact CG-CG2 3.83Å; A340-V344 PolarHBondContact O-N 3.37Å; A340-V344 VanDerWaalsContact O-N 3.08Å; E341-V344 WeakPolarHBondContact O-CB 3.46Å; E341-V344 PolarHBondContact O-N 3.43Å; V344-A347 PolarHBondContact O-N 3.47Å; V344-L348 WeakPolarHBondContact O-CB 3.43Å; V344-L348 PolarHBondContact O-N 2.79Å
345	L	97.8	Very high	95.3	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-63.9	-40.7	177	-71	167.1	0	0	0	112.4	E341 L348 G349 V391 K392 Y395 Y401 L404	E341-L345 PolarHBondContact O-N 3.35Å; L345-L348 PolarHBondContact O-N 2.77Å; L345-G349 PolarHBondContact O-N 3.29Å; L345-V391 HydrophobicContact CD2-CG1 4.22Å; L345-K392 HydrophobicContact CB-CG 3.97Å; L345-K392 HydrophobicContact CD1-CG 4.43Å; L345-Y395 HydrophobicContact CD1-CD1 3.59Å; L345-Y395 HydrophobicContact CD1-CE1 4.19Å; L345-Y395 HydrophobicContact CD1-CG 4.21Å; L345-Y395 HydrophobicContact CD2-CD1 4.02Å; L345-Y395 HydrophobicContact CD2-CD2 4.47Å; L345-Y395 HydrophobicContact CD2-CG 3.81Å; L345-Y395 HydrophobicContact CG-CD1 4.37Å; L345-Y401 HydrophobicContact CD2-CE1 3.73Å; L345-Y401 HydrophobicContact CG-CE1 4.48Å; L345-L404 HydrophobicContact CD2-CD2 4.22Å
346	T	98.3	Very high	95.5	Very high	24 Å²	24	25 Å²	25	15%	0.147	14%	0.144	C	C	.	.	H	α-helix	trans	-62.8	-48.7	176	-54.2	0	0	0	0	110.3	T197 Q342 T343 L348 G349 Q350 V388 K392	T197-T346 HydrophobicContact CG2-CG2 3.71Å; Q342-T346 WeakPolarHBondContact O-CB 3.43Å; Q342-T346 PolarHBondContact O-N 2.8Å; Q342-T346 PolarHBondContact O-OG1 2.97Å; T343-T346 PolarHBondContact O-N 3.07Å; T346-L348 VanDerWaalsContact C-N 3.31Å; T346-L348 PolarHBondContact O-N 2.96Å; T346-G349 PolarHBondContact O-N 3.2Å; T346-Q350 HydrophobicContact CG2-CG 4.45Å; T346-Q350 VanDerWaalsContact O-CG 3.29Å; T346-Q350 WeakPolarHBondContact O-CG 3.32Å; T346-Q350 PolarHBondContact O-N 3.41Å; T346-V388 HydrophobicContact CG2-CG1 4.04Å; T346-V388 HydrophobicContact CG2-CG2 4.19Å; T346-K392 WeakPolarHBondContact OG1-CE 3.14Å; T346-K392 PolarHBondContact OG1-NZ 2.88Å
347	A	98.7	Very high	95.9	Very high	0 Å²	0	19 Å²	19	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-61.4	-38.5	177.9	0	0	0	0	0	112.4	T197 L200 C201 F204 T343 V344 Q350 A351	T197-A347 HydrophobicContact CG2-CB 3.99Å; L200-A347 HydrophobicContact CB-CB 3.78Å; L200-A347 HydrophobicContact CD2-CB 3.83Å; L200-A347 HydrophobicContact CG-CB 3.76Å; C201-A347 HydrophobicContact CB-CB 4.37Å; F204-A347 HydrophobicContact CD2-CB 4.2Å; F204-A347 HydrophobicContact CE2-CB 4.24Å; T343-A347 VanDerWaalsContact O-CB 3.31Å; T343-A347 WeakPolarHBondContact O-CB 3.43Å; T343-A347 PolarHBondContact O-N 2.84Å; V344-A347 PolarHBondContact O-N 3.47Å; A347-Q350 PolarHBondContact O-N 3.49Å; A347-A351 VanDerWaalsContact O-CB 3.27Å; A347-A351 WeakPolarHBondContact O-CB 3.36Å; A347-A351 PolarHBondContact O-N 3.12Å
348	L	98.6	Very high	95.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-66.2	-45.1	175.8	-176.1	63	0	0	0	111.8	F204 V344 L345 T346 Q350 A351 V352 F357 V391 L404 L408	F204-L348 HydrophobicContact CD2-CB 4.19Å; F204-L348 HydrophobicContact CD2-CD1 4.31Å; F204-L348 HydrophobicContact CE2-CB 4.29Å; V344-L348 WeakPolarHBondContact O-CB 3.43Å; V344-L348 PolarHBondContact O-N 2.79Å; L345-L348 PolarHBondContact O-N 2.77Å; T346-L348 VanDerWaalsContact C-N 3.31Å; T346-L348 PolarHBondContact O-N 2.96Å; L348-Q350 VanDerWaalsContact C-N 3.34Å; L348-Q350 PolarHBondContact O-N 2.82Å; L348-A351 PolarHBondContact O-N 3Å; L348-V352 WeakPolarHBondContact O-CG2 3.44Å; L348-V352 PolarHBondContact O-N 2.75Å; L348-F357 HydrophobicContact CD1-CE2 3.88Å; L348-F357 HydrophobicContact CD1-CZ 4.45Å; L348-V391 HydrophobicContact CD2-CG1 4.22Å; L348-V391 HydrophobicContact CG-CG1 4.4Å; L348-L404 HydrophobicContact CD2-CD2 4.15Å; L348-L408 HydrophobicContact CD1-CD1 4.4Å; L348-L408 HydrophobicContact CD2-CD1 3.91Å; L348-L408 HydrophobicContact CG-CD1 4.07Å
349	G	98.4	Very high	95.5	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-60.5	-42.9	174.8	0	0	0	0	0	112.4	L345 T346 V352 A353	L345-G349 PolarHBondContact O-N 3.29Å; T346-G349 PolarHBondContact O-N 3.2Å; G349-V352 PolarHBondContact O-N 2.9Å; G349-A353 WeakPolarHBondContact O-CB 3.15Å; G349-A353 PolarHBondContact O-N 2.84Å
350	Q	98.3	Very high	94.6	Very high	43 Å²	43	27.6 Å²	27.6	20%	0.201	14%	0.139	C	C	.	.	H	α-helix	trans	-64.8	-40.5	175.2	-67.4	-176.4	-11	0	0	112.5	C201 T346 A347 L348 A353 M354 M384 V388	C201-Q350 HydrophobicContact CB-CB 4.35Å; T346-Q350 HydrophobicContact CG2-CG 4.45Å; T346-Q350 VanDerWaalsContact O-CG 3.29Å; T346-Q350 WeakPolarHBondContact O-CG 3.32Å; T346-Q350 PolarHBondContact O-N 3.41Å; A347-Q350 PolarHBondContact O-N 3.49Å; L348-Q350 VanDerWaalsContact C-N 3.34Å; L348-Q350 PolarHBondContact O-N 2.82Å; Q350-A353 PolarHBondContact O-N 3.3Å; Q350-M354 WeakPolarHBondContact O-CB 3.21Å; Q350-M354 WeakPolarHBondContact O-CG 3.2Å; Q350-M354 PolarHBondContact O-N 3.43Å; Q350-M384 WeakPolarHBondContact CA-SD 3.43Å; Q350-M384 HydrophobicContact CB-CE 3.9Å; Q350-M384 HydrophobicContact CB-CG 4.47Å; Q350-M384 HydrophobicContact CB-SD 3.61Å; Q350-M384 HydrophobicContact CG-CE 3.94Å; Q350-M384 HydrophobicContact CG-CG 3.76Å; Q350-M384 HydrophobicContact CG-SD 3.57Å; Q350-M384 VanDerWaalsContact CG-SD 3.57Å; Q350-V388 HydrophobicContact CG-CG2 3.77Å
351	A	98.3	Very high	93.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-63	-43.8	178.5	0	0	0	0	0	111.7	C201 F204 R205 A347 L348 M354 T355 F357	C201-A351 PolarHBondContact SG-N 3.37Å; C201-A351 VanDerWaalsContact SG-N 3.43Å; F204-A351 HydrophobicContact CB-CB 3.81Å; R205-A351 HydrophobicContact CG-CB 3.77Å; A347-A351 VanDerWaalsContact O-CB 3.27Å; A347-A351 WeakPolarHBondContact O-CB 3.36Å; A347-A351 PolarHBondContact O-N 3.12Å; L348-A351 PolarHBondContact O-N 3Å; A351-M354 PolarHBondContact O-N 3.41Å; A351-T355 CarbonylContact O-C 3.4Å; A351-T355 WeakPolarHBondContact O-CA 3.24Å; A351-T355 PolarHBondContact O-N 3.06Å; A351-F357 HydrophobicContact CB-CE1 4.47Å; A351-F357 HydrophobicContact CB-CZ 3.93Å
352	V	97.3	Very high	92.6	Very high	1 Å²	1	35 Å²	35	1%	0.006	19%	0.186	C	C	.	.	H	α-helix	trans	-68.8	-37.6	177.9	173.3	0	0	0	0	111.8	L348 G349 T355 P356 F357 L408 H413	L348-V352 WeakPolarHBondContact O-CG2 3.44Å; L348-V352 PolarHBondContact O-N 2.75Å; G349-V352 PolarHBondContact O-N 2.9Å; V352-T355 CarbonylContact O-C 3.12Å; V352-P356 VanDerWaalsContact O-CA 3.29Å; V352-P356 WeakPolarHBondContact O-CA 3.48Å; V352-F357 HydrophobicContact CG2-CD2 3.68Å; V352-F357 HydrophobicContact CG2-CE2 3.47Å; V352-F357 VanDerWaalsContact CG2-CE2 3.47Å; V352-F357 HydrophobicContact CG2-CG 4.32Å; V352-F357 HydrophobicContact CG2-CZ 3.96Å; V352-L408 HydrophobicContact CB-CD2 4.39Å; V352-L408 HydrophobicContact CG1-CD2 3.89Å; V352-L408 HydrophobicContact CG2-CB 4.48Å; V352-L408 HydrophobicContact CG2-CD1 4.01Å; V352-L408 HydrophobicContact CG2-CD2 3.86Å; V352-L408 HydrophobicContact CG2-CG 4.35Å; V352-H413 HydrophobicContact CG1-CB 4.16Å
353	A	96.7	Very high	91.4	Very high	7 Å²	7	34.6 Å²	34.6	6%	0.058	19%	0.186	C	C	.	.	H	α-helix	trans	-62.1	-46.2	175.1	0	0	0	0	0	111.3	G349 Q350 A371 W380 M384 A387	G349-A353 WeakPolarHBondContact O-CB 3.15Å; G349-A353 PolarHBondContact O-N 2.84Å; Q350-A353 PolarHBondContact O-N 3.3Å; A353-A371 VanDerWaalsContact O-CB 3.24Å; A353-A371 WeakPolarHBondContact O-CB 3.43Å; A353-W380 HydrophobicContact CB-CH2 3.94Å; A353-M384 HydrophobicContact CB-SD 3.66Å; A353-A387 HydrophobicContact CB-CB 3.65Å
354	M	96	Very high	89.9	Confident	32 Å²	32	39.7 Å²	39.7	16%	0.158	21%	0.208	C	C	.	.	H	α-helix	trans	-73.3	-41.8	-178.3	-72.8	-178.2	82	0	0	113.1	Q350 A351 N370 A371 W380 M384	Q350-M354 WeakPolarHBondContact O-CB 3.21Å; Q350-M354 WeakPolarHBondContact O-CG 3.2Å; Q350-M354 PolarHBondContact O-N 3.43Å; A351-M354 PolarHBondContact O-N 3.41Å; M354-N370 CarbonylContact O-C 3.42Å; M354-N370 WeakPolarHBondContact O-CA 3.35Å; M354-A371 PolarHBondContact O-N 3.26Å; M354-W380 HydrophobicContact CB-CH2 4.38Å; M354-W380 HydrophobicContact CB-CZ2 4.4Å; M354-W380 HydrophobicContact CG-CH2 3.71Å; M354-W380 HydrophobicContact CG-CZ2 3.31Å; M354-W380 HydrophobicContact SD-CZ2 4.4Å; M354-M384 HydrophobicContact CG-CE 3.92Å; M354-M384 HydrophobicContact SD-CE 3.99Å
355	T	95.8	Very high	88.3	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.243	C	C	.	.	S	Bend	trans	-136.4	82.8	-172.8	-53.4	0	0	0	0	107.4	R205 L209 A351 V352 F357 I369	R205-T355 PolarHBondContact NE-OG1 3.13Å; L209-T355 HydrophobicContact CD1-CG2 3.98Å; L209-T355 HydrophobicContact CD2-CG2 4.47Å; A351-T355 CarbonylContact O-C 3.4Å; A351-T355 WeakPolarHBondContact O-CA 3.24Å; A351-T355 PolarHBondContact O-N 3.06Å; V352-T355 CarbonylContact O-C 3.12Å; T355-F357 WeakPolarHBondContact O-CD1 3.41Å; T355-F357 VanDerWaalsContact O-CE1 3.29Å; T355-F357 WeakPolarHBondContact O-CE1 3.33Å; T355-F357 PolarHBondContact O-N 3.38Å; T355-I369 PolarHBondContact OG1-O 3.01Å
356	P	94.8	Very high	87	Confident	26 Å²	26	48.3 Å²	48.3	17%	0.169	27%	0.265	C	S	.	.			trans	-53	125.9	178.7	-27.5	34.9	0	0	0	111.5	V352	V352-P356 VanDerWaalsContact O-CA 3.29Å; V352-P356 WeakPolarHBondContact O-CA 3.48Å
357	F	93.8	Very high	86.4	Confident	3 Å²	3	48.9 Å²	48.9	1%	0.013	26%	0.264	C	S	.	.	S	Bend	trans	-80.2	-21.1	-178.3	-52.6	-29	0	0	0	113	L215 L348 A351 V352 T355 F359 L409	L215-F357 HydrophobicContact CD2-CD2 3.77Å; L215-F357 HydrophobicContact CD2-CE2 3.53Å; L215-F357 HydrophobicContact CD2-CZ 4.35Å; L348-F357 HydrophobicContact CD1-CE2 3.88Å; L348-F357 HydrophobicContact CD1-CZ 4.45Å; A351-F357 HydrophobicContact CB-CE1 4.47Å; A351-F357 HydrophobicContact CB-CZ 3.93Å; V352-F357 HydrophobicContact CG2-CD2 3.68Å; V352-F357 HydrophobicContact CG2-CE2 3.47Å; V352-F357 VanDerWaalsContact CG2-CE2 3.47Å; V352-F357 HydrophobicContact CG2-CG 4.32Å; V352-F357 HydrophobicContact CG2-CZ 3.96Å; T355-F357 WeakPolarHBondContact O-CD1 3.41Å; T355-F357 VanDerWaalsContact O-CE1 3.29Å; T355-F357 WeakPolarHBondContact O-CE1 3.33Å; T355-F357 PolarHBondContact O-N 3.38Å; F357-F359 VanDerWaalsContact O-CD1 3.26Å; F357-F359 WeakPolarHBondContact O-CD1 3.26Å; F357-L409 HydrophobicContact CB-CD2 3.79Å; F357-L409 HydrophobicContact CD2-CD2 4.5Å; F357-L409 HydrophobicContact CG-CD2 4.48Å
358	H	88.9	Confident	86	Confident	62 Å²	62	52.5 Å²	52.5	29%	0.287	28%	0.283	S	S	.	.			trans	-78.5	124.7	171.3	67.8	-82.9	0	0	0	109.4	L408 K411 S412	H358-L408 PolarHBondContact N-O 2.86Å; H358-K411 PolarHBondContact ND1-O 3.15Å; H358-S412 VanDerWaalsContact CE1-CA 3.41Å; H358-S412 WeakPolarHBondContact CE1-CA 3.47Å
359	F	83.8	Confident	85.7	Confident	68 Å²	68	54.1 Å²	54.1	30%	0.298	29%	0.291	S	S	.	.			trans	-151.6	155.1	173.1	59.2	-88.6	0	0	0	110	F357 V361	F357-F359 VanDerWaalsContact O-CD1 3.26Å; F357-F359 WeakPolarHBondContact O-CD1 3.26Å; F359-V361 HydrophobicContact CE2-CG2 4.36Å; F359-V361 PolarHBondContact O-N 2.92Å
360	K	74.2	Confident	85.5	Confident	158 Å²	158	56.4 Å²	56.4	69%	0.687	30%	0.303	S	S	*	.			trans	-75.9	115.8	175.5	-68.4	-177.6	-178.4	176.5	0	109.1	S362 D363	K360-S362 PolarHBondContact O-N 3.28Å; K360-D363 CarbonylContact O-C 3.42Å; K360-D363 PolarHBondContact O-N 3.03Å; K360-D363 VanDerWaalsContact O-N 3.11Å
361	V	71.9	Confident	85.2	Confident	110 Å²	110	55.8 Å²	55.8	67%	0.667	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-32	179.3	-179.3	0	0	0	0	112	F359 D363	F359-V361 HydrophobicContact CE2-CG2 4.36Å; F359-V361 PolarHBondContact O-N 2.92Å; V361-D363 PolarHBondContact O-N 3.45Å
362	S	73	Confident	84.9	Confident	114 Å²	114	57.3 Å²	57.3	80%	0.797	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-17.9	179.2	59.4	0	0	0	0	114.3	K360	K360-S362 PolarHBondContact O-N 3.28Å
363	D	69.1	Low	84.5	Confident	70 Å²	70	63 Å²	63	37%	0.374	35%	0.347	S	S	.	.			trans	-143.3	80.1	-179	-169.5	-2.8	0	0	0	111.5	K360 V361 S365 T366	K360-D363 CarbonylContact O-C 3.42Å; K360-D363 PolarHBondContact O-N 3.03Å; K360-D363 VanDerWaalsContact O-N 3.11Å; V361-D363 PolarHBondContact O-N 3.45Å; D363-S365 PolarHBondContact O-N 3.42Å; D363-S365 VanDerWaalsContact O-N 3.09Å; D363-S365 VanDerWaalsContact OD1-CB 3.31Å; D363-S365 WeakPolarHBondContact OD1-CB 3.28Å; D363-S365 PolarHBondContact OD1-N 3Å; D363-S365 VanDerWaalsContact OD1-N 3.15Å; D363-S365 PolarHBondContact OD1-OG 2.91Å; D363-T366 HydrophobicContact CB-CG2 4.36Å; D363-T366 PolarHBondContact O-N 3.31Å; D363-T366 PolarHBondContact O-OG1 3.31Å; D363-T366 WeakPolarHBondContact OD2-CG2 3.19Å
364	K	66.5	Low	84.2	Confident	115 Å²	115	67 Å²	67	50%	0.5	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-58.5	-19.1	175.8	-72.3	-168.5	177.8	-169.5	0	113.2	E171 T366 R367	E171-K364 IonicContact OE1-NZ 3.97Å; E171-K364 PolarHBondContact OE1-NZ 2.81Å; E171-K364 IonicContact OE2-NZ 2.63Å; E171-K364 PolarHBondContact OE2-NZ 3.35Å; K364-T366 PolarHBondContact O-N 3.05Å; K364-R367 VanDerWaalsContact O-CB 3.27Å; K364-R367 WeakPolarHBondContact O-CB 3.47Å; K364-R367 PolarHBondContact O-N 3.42Å
365	S	64.5	Low	83.9	Confident	106 Å²	106	68.9 Å²	68.9	74%	0.741	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-67.8	-19.9	179.7	79.4	0	0	0	0	112.9	D363 R367	D363-S365 PolarHBondContact O-N 3.42Å; D363-S365 VanDerWaalsContact O-N 3.09Å; D363-S365 VanDerWaalsContact OD1-CB 3.31Å; D363-S365 WeakPolarHBondContact OD1-CB 3.28Å; D363-S365 PolarHBondContact OD1-N 3Å; D363-S365 VanDerWaalsContact OD1-N 3.15Å; D363-S365 PolarHBondContact OD1-OG 2.91Å; S365-R367 VanDerWaalsContact C-N 3.31Å; S365-R367 PolarHBondContact O-N 2.87Å
366	T	70.4	Confident	83.9	Confident	75 Å²	75	71 Å²	71	46%	0.46	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-85.4	3.7	177.9	62.3	0	0	0	0	114.3	D363 K364 I368	D363-T366 HydrophobicContact CB-CG2 4.36Å; D363-T366 PolarHBondContact O-N 3.31Å; D363-T366 PolarHBondContact O-OG1 3.31Å; D363-T366 WeakPolarHBondContact OD2-CG2 3.19Å; K364-T366 PolarHBondContact O-N 3.05Å; T366-I368 PolarHBondContact O-N 3.24Å; T366-I368 VanDerWaalsContact O-N 3.17Å
367	R	86	Confident	83.8	Confident	36 Å²	36	74.1 Å²	74.1	14%	0.136	44%	0.435	C	S	.	.			trans	-71.6	110	-175.1	-175.4	-179.5	-89.7	-174.4	7.1	111.3	E171 L209 K364 S365 I369	E171-R367 IonicContact OE1-CZ 3.31Å; E171-R367 VanDerWaalsContact OE1-CZ 3.29Å; E171-R367 IonicContact OE1-NH1 3.68Å; E171-R367 PolarHBondContact OE1-NH1 3.16Å; E171-R367 IonicContact OE1-NH2 3.37Å; E171-R367 PolarHBondContact OE1-NH2 3.33Å; E171-R367 IonicContact OE2-NH1 2.72Å; L209-R367 HydrophobicContact CD1-CG 3.74Å; K364-R367 VanDerWaalsContact O-CB 3.27Å; K364-R367 WeakPolarHBondContact O-CB 3.47Å; K364-R367 PolarHBondContact O-N 3.42Å; S365-R367 VanDerWaalsContact C-N 3.31Å; S365-R367 PolarHBondContact O-N 2.87Å; R367-I369 HydrophobicContact CG-CD1 4.01Å; R367-I369 PolarHBondContact O-N 3.49Å
368	I	90.8	Very high	83.9	Confident	76 Å²	76	80 Å²	80	39%	0.39	46%	0.463	S	S	.	.			trans	-75.4	112.9	178.1	-58.9	173.4	0	0	0	109.8	T366 A371	T366-I368 PolarHBondContact O-N 3.24Å; T366-I368 VanDerWaalsContact O-N 3.17Å; I368-A371 HydrophobicContact CG2-CB 3.82Å
369	I	92.4	Very high	84.2	Confident	35 Å²	35	82.3 Å²	82.3	18%	0.179	47%	0.474	C	S	.	.	S	Bend	trans	-88.5	-35.6	177.9	-55.9	-56.8	0	0	0	112.2	P163 I164 R205 L209 T355 R367	P163-I369 HydrophobicContact CG-CG2 3.68Å; I164-I369 HydrophobicContact CD1-CD1 3.71Å; I164-I369 HydrophobicContact CD1-CG1 4.41Å; I164-I369 HydrophobicContact CG1-CD1 4.42Å; R205-I369 PolarHBondContact NH2-O 3.32Å; L209-I369 HydrophobicContact CD1-CD1 4.28Å; L209-I369 HydrophobicContact CD2-CD1 3.64Å; T355-I369 PolarHBondContact OG1-O 3.01Å; R367-I369 HydrophobicContact CG-CD1 4.01Å; R367-I369 PolarHBondContact O-N 3.49Å
370	N	92.8	Very high	84.8	Confident	47 Å²	47	81 Å²	81	25%	0.251	47%	0.467	S	S	.	.			trans	-142.5	100.7	175.4	-171.4	15.4	0	0	0	110.5	M354 S372 N373	M354-N370 CarbonylContact O-C 3.42Å; M354-N370 WeakPolarHBondContact O-CA 3.35Å; N370-S372 PolarHBondContact ND2-OG 3.28Å; N370-S372 PolarHBondContact O-N 3.18Å; N370-S372 PolarHBondContact OD1-N 3.07Å; N370-S372 PolarHBondContact OD1-OG 3.49Å; N370-N373 PolarHBondContact ND2-OD1 2.9Å
371	A	92.8	Very high	85.8	Confident	31 Å²	31	80.1 Å²	80.1	26%	0.256	46%	0.463	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-14.4	178.3	0	0	0	0	0	113.4	A353 M354 I368 N373 W380	A353-A371 VanDerWaalsContact O-CB 3.24Å; A353-A371 WeakPolarHBondContact O-CB 3.43Å; M354-A371 PolarHBondContact O-N 3.26Å; I368-A371 HydrophobicContact CG2-CB 3.82Å; A371-N373 PolarHBondContact O-N 3.21Å; A371-W380 HydrophobicContact CB-CZ3 4.27Å
372	S	91.9	Very high	87	Confident	31 Å²	31	79 Å²	79	22%	0.217	46%	0.456	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-11.6	179.7	82.5	0	0	0	0	113.4	N370 G374 M375	N370-S372 PolarHBondContact ND2-OG 3.28Å; N370-S372 PolarHBondContact O-N 3.18Å; N370-S372 PolarHBondContact OD1-N 3.07Å; N370-S372 PolarHBondContact OD1-OG 3.49Å; S372-G374 PolarHBondContact O-N 3.49Å; S372-M375 PolarHBondContact O-N 3.4Å
373	N	89.3	Confident	88.1	Confident	121 Å²	121	75.7 Å²	75.7	65%	0.647	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	126	-177.2	-72	-11.2	0	0	0	110.4	N370 A371	N370-N373 PolarHBondContact ND2-OD1 2.9Å; A371-N373 PolarHBondContact O-N 3.21Å
374	G	88.7	Confident	89.4	Confident	91 Å²	91	73.3 Å²	73.3	94%	0.938	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.8	2.1	179.5	0	0	0	0	0	115.2	S372	S372-G374 PolarHBondContact O-N 3.49Å
375	M	91.3	Very high	90.9	Very high	71 Å²	71	72 Å²	72	35%	0.35	42%	0.417	S	S	.	.	S	Bend	trans	-103.4	150	175.4	-57.7	-177.1	77.5	0	0	111.3	S372 Q379 W380 T383	S372-M375 PolarHBondContact O-N 3.4Å; M375-Q379 HydrophobicContact CB-CB 4.44Å; M375-Q379 HydrophobicContact CE-CB 4.07Å; M375-W380 HydrophobicContact CB-CB 4.39Å; M375-W380 HydrophobicContact SD-CE3 3.94Å; M375-T383 VanDerWaalsContact CE-OG1 3.25Å; M375-T383 WeakPolarHBondContact CE-OG1 3.42Å
376	S	94.5	Very high	92.5	Very high	46 Å²	46	70.8 Å²	70.8	32%	0.322	40%	0.401	S	S	.	.			trans	-68.4	161.5	167.7	92.2	0	0	0	0	111.1	E378 Q379 W380	S376-E378 PolarHBondContact O-N 3.08Å; S376-E378 PolarHBondContact OG-N 2.78Å; S376-E378 PolarHBondContact OG-OE2 3.36Å; S376-E378 VanDerWaalsContact OG-OE2 3.07Å; S376-Q379 PolarHBondContact O-N 3.3Å; S376-Q379 WeakPolarHBondContact OG-CG 3.47Å; S376-Q379 PolarHBondContact OG-N 2.87Å; S376-W380 VanDerWaalsContact O-CB 3.3Å; S376-W380 WeakPolarHBondContact O-CB 3.46Å; S376-W380 PolarHBondContact O-N 3.18Å
377	S	93.6	Very high	93.8	Very high	90 Å²	90	67.2 Å²	67.2	63%	0.629	38%	0.379	S	S	*	.	H	α-helix	trans	-57.7	-39.7	176.8	178.3	0	0	0	0	112	K381	S377-K381 WeakPolarHBondContact O-CB 3.23Å; S377-K381 PolarHBondContact O-N 3.35Å
378	E	94.9	Very high	94.3	Very high	128 Å²	128	66 Å²	66	60%	0.598	38%	0.376	S	S	*	.	H	α-helix	trans	-70.1	-47.5	-179.4	-61.4	66.7	-142.5	0	0	111.2	S376 W380 K381 V382	S376-E378 PolarHBondContact O-N 3.08Å; S376-E378 PolarHBondContact OG-N 2.78Å; S376-E378 PolarHBondContact OG-OE2 3.36Å; S376-E378 VanDerWaalsContact OG-OE2 3.07Å; E378-W380 VanDerWaalsContact C-N 3.3Å; E378-W380 PolarHBondContact O-N 3.23Å; E378-K381 PolarHBondContact O-N 3.45Å; E378-V382 WeakPolarHBondContact O-CG2 3.09Å; E378-V382 PolarHBondContact O-N 2.9Å; E378-V382 VanDerWaalsContact O-N 3.1Å
379	Q	95.4	Very high	94.6	Very high	110 Å²	110	64.5 Å²	64.5	51%	0.514	38%	0.375	S	S	.	.	H	α-helix	trans	-61.1	-41.8	176.8	-70.7	172.8	-31.6	0	0	111.5	M375 S376 V382 T383	M375-Q379 HydrophobicContact CB-CB 4.44Å; M375-Q379 HydrophobicContact CE-CB 4.07Å; S376-Q379 PolarHBondContact O-N 3.3Å; S376-Q379 WeakPolarHBondContact OG-CG 3.47Å; S376-Q379 PolarHBondContact OG-N 2.87Å; Q379-V382 PolarHBondContact O-N 3.08Å; Q379-T383 PolarHBondContact O-N 3.23Å; Q379-T383 PolarHBondContact O-OG1 3.26Å
380	W	96.1	Very high	94.9	Very high	41 Å²	41	64.7 Å²	64.7	16%	0.155	38%	0.376	C	S	.	.	H	α-helix	trans	-64.9	-42.3	177.9	176.7	-121.1	0	0	0	112	A353 M354 A371 M375 S376 E378 V382 T383 M384	A353-W380 HydrophobicContact CB-CH2 3.94Å; M354-W380 HydrophobicContact CB-CH2 4.38Å; M354-W380 HydrophobicContact CB-CZ2 4.4Å; M354-W380 HydrophobicContact CG-CH2 3.71Å; M354-W380 HydrophobicContact CG-CZ2 3.31Å; M354-W380 HydrophobicContact SD-CZ2 4.4Å; A371-W380 HydrophobicContact CB-CZ3 4.27Å; M375-W380 HydrophobicContact CB-CB 4.39Å; M375-W380 HydrophobicContact SD-CE3 3.94Å; S376-W380 VanDerWaalsContact O-CB 3.3Å; S376-W380 WeakPolarHBondContact O-CB 3.46Å; S376-W380 PolarHBondContact O-N 3.18Å; E378-W380 VanDerWaalsContact C-N 3.3Å; E378-W380 PolarHBondContact O-N 3.23Å; W380-V382 PolarHBondContact O-N 3.21Å; W380-T383 HydrophobicContact CE3-CG2 4.39Å; W380-T383 HydrophobicContact CZ3-CG2 4.13Å; W380-T383 PolarHBondContact O-N 2.77Å; W380-M384 HydrophobicContact CH2-CE 4.27Å; W380-M384 HydrophobicContact CH2-SD 4.15Å; W380-M384 HydrophobicContact CZ2-CE 3.27Å; W380-M384 HydrophobicContact CZ2-SD 3.68Å; W380-M384 VanDerWaalsContact O-CB 3.3Å; W380-M384 WeakPolarHBondContact O-CB 3.4Å; W380-M384 PolarHBondContact O-N 3.49Å
381	K	96.2	Very high	95.1	Very high	138 Å²	138	62.4 Å²	62.4	60%	0.6	36%	0.364	S	S	*	.	H	α-helix	trans	-58.7	-46.2	175.6	-176.1	-179.1	175.2	-171.7	0	111.7	S377 E378 M384 D385	S377-K381 WeakPolarHBondContact O-CB 3.23Å; S377-K381 PolarHBondContact O-N 3.35Å; E378-K381 PolarHBondContact O-N 3.45Å; K381-M384 WeakPolarHBondContact O-CB 3.25Å; K381-M384 PolarHBondContact O-N 2.99Å; K381-D385 WeakPolarHBondContact O-CB 2.98Å; K381-D385 VanDerWaalsContact O-CG 3.3Å; K381-D385 PolarHBondContact O-N 3.45Å
382	V	96.9	Very high	95.3	Very high	86 Å²	86	63.8 Å²	63.8	52%	0.521	36%	0.364	S	S	.	.	H	α-helix	trans	-61	-46.8	177.3	173.6	0	0	0	0	111.2	E378 Q379 W380 M384 D385 I386	E378-V382 WeakPolarHBondContact O-CG2 3.09Å; E378-V382 PolarHBondContact O-N 2.9Å; E378-V382 VanDerWaalsContact O-N 3.1Å; Q379-V382 PolarHBondContact O-N 3.08Å; W380-V382 PolarHBondContact O-N 3.21Å; V382-M384 VanDerWaalsContact C-N 3.31Å; V382-M384 PolarHBondContact O-N 2.99Å; V382-D385 PolarHBondContact O-N 2.83Å; V382-I386 HydrophobicContact CG1-CD1 3.91Å; V382-I386 WeakPolarHBondContact O-CG1 3.37Å; V382-I386 PolarHBondContact O-N 3.45Å
383	T	96	Very high	95.4	Very high	46 Å²	46	69.3 Å²	69.3	28%	0.282	38%	0.38	S	S	.	.	H	α-helix	trans	-58.9	-44.3	178.1	-56.1	0	0	0	0	111.4	M375 Q379 W380 I386 A387	M375-T383 VanDerWaalsContact CE-OG1 3.25Å; M375-T383 WeakPolarHBondContact CE-OG1 3.42Å; Q379-T383 PolarHBondContact O-N 3.23Å; Q379-T383 PolarHBondContact O-OG1 3.26Å; W380-T383 HydrophobicContact CE3-CG2 4.39Å; W380-T383 HydrophobicContact CZ3-CG2 4.13Å; W380-T383 PolarHBondContact O-N 2.77Å; T383-I386 PolarHBondContact O-N 2.85Å; T383-A387 PolarHBondContact O-N 3.34Å; T383-A387 VanDerWaalsContact O-N 3.12Å
384	M	96.1	Very high	95.6	Very high	20 Å²	20	63.7 Å²	63.7	10%	0.099	35%	0.351	C	S	.	.	H	α-helix	trans	-61.7	-46.4	176.9	-167.7	76.5	103.3	0	0	112	Q350 A353 M354 W380 K381 V382 I386 A387 V388	Q350-M384 WeakPolarHBondContact CA-SD 3.43Å; Q350-M384 HydrophobicContact CB-CE 3.9Å; Q350-M384 HydrophobicContact CB-CG 4.47Å; Q350-M384 HydrophobicContact CB-SD 3.61Å; Q350-M384 HydrophobicContact CG-CE 3.94Å; Q350-M384 HydrophobicContact CG-CG 3.76Å; Q350-M384 HydrophobicContact CG-SD 3.57Å; Q350-M384 VanDerWaalsContact CG-SD 3.57Å; A353-M384 HydrophobicContact CB-SD 3.66Å; M354-M384 HydrophobicContact CG-CE 3.92Å; M354-M384 HydrophobicContact SD-CE 3.99Å; W380-M384 HydrophobicContact CH2-CE 4.27Å; W380-M384 HydrophobicContact CH2-SD 4.15Å; W380-M384 HydrophobicContact CZ2-CE 3.27Å; W380-M384 HydrophobicContact CZ2-SD 3.68Å; W380-M384 VanDerWaalsContact O-CB 3.3Å; W380-M384 WeakPolarHBondContact O-CB 3.4Å; W380-M384 PolarHBondContact O-N 3.49Å; K381-M384 WeakPolarHBondContact O-CB 3.25Å; K381-M384 PolarHBondContact O-N 2.99Å; V382-M384 VanDerWaalsContact C-N 3.31Å; V382-M384 PolarHBondContact O-N 2.99Å; M384-I386 VanDerWaalsContact C-N 3.35Å; M384-I386 PolarHBondContact O-N 3.38Å; M384-A387 PolarHBondContact O-N 3.26Å; M384-V388 WeakPolarHBondContact O-CB 3.19Å; M384-V388 VanDerWaalsContact O-CG2 3.31Å; M384-V388 WeakPolarHBondContact O-CG2 3.47Å; M384-V388 PolarHBondContact O-N 3.28Å
385	D	97.7	Very high	96	Very high	87 Å²	87	59.7 Å²	59.7	47%	0.465	31%	0.307	S	S	.	.	H	α-helix	trans	-65.3	-38	-178.3	-73.6	-22.2	0	0	0	111.4	K381 V382 V388 A389	K381-D385 WeakPolarHBondContact O-CB 2.98Å; K381-D385 VanDerWaalsContact O-CG 3.3Å; K381-D385 PolarHBondContact O-N 3.45Å; V382-D385 PolarHBondContact O-N 2.83Å; D385-V388 PolarHBondContact O-N 2.95Å; D385-A389 VanDerWaalsContact O-CB 3.3Å; D385-A389 WeakPolarHBondContact O-CB 3.37Å; D385-A389 PolarHBondContact O-N 2.91Å
386	I	98	Very high	96	Very high	81 Å²	81	57.2 Å²	57.2	42%	0.415	30%	0.297	S	S	.	.	H	α-helix	trans	-61.7	-49.6	173.3	-68.7	167.3	0	0	0	110.9	V382 T383 M384 V388 A389 N390	V382-I386 HydrophobicContact CG1-CD1 3.91Å; V382-I386 WeakPolarHBondContact O-CG1 3.37Å; V382-I386 PolarHBondContact O-N 3.45Å; T383-I386 PolarHBondContact O-N 2.85Å; M384-I386 VanDerWaalsContact C-N 3.35Å; M384-I386 PolarHBondContact O-N 3.38Å; I386-V388 VanDerWaalsContact C-N 3.35Å; I386-V388 PolarHBondContact O-N 2.99Å; I386-A389 WeakPolarHBondContact O-CB 3.44Å; I386-A389 PolarHBondContact O-N 3.26Å; I386-N390 PolarHBondContact O-N 3.39Å; I386-N390 PolarHBondContact O-OD1 3.17Å
387	A	98	Very high	95.9	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-61.6	-43	179.7	0	0	0	0	0	112.4	A353 T383 M384 A389 N390 V391	A353-A387 HydrophobicContact CB-CB 3.65Å; T383-A387 PolarHBondContact O-N 3.34Å; T383-A387 VanDerWaalsContact O-N 3.12Å; M384-A387 PolarHBondContact O-N 3.26Å; A387-A389 VanDerWaalsContact C-N 3.34Å; A387-A389 PolarHBondContact O-N 3.36Å; A387-N390 PolarHBondContact O-N 3.31Å; A387-V391 WeakPolarHBondContact O-CG2 3.18Å; A387-V391 PolarHBondContact O-N 2.75Å
388	V	98.3	Very high	95.9	Very high	10 Å²	10	51.7 Å²	51.7	6%	0.061	26%	0.258	C	S	.	.	H	α-helix	trans	-61	-43.4	174.3	168	0	0	0	0	111.1	T346 Q350 M384 D385 I386 K392	T346-V388 HydrophobicContact CG2-CG1 4.04Å; T346-V388 HydrophobicContact CG2-CG2 4.19Å; Q350-V388 HydrophobicContact CG-CG2 3.77Å; M384-V388 WeakPolarHBondContact O-CB 3.19Å; M384-V388 VanDerWaalsContact O-CG2 3.31Å; M384-V388 WeakPolarHBondContact O-CG2 3.47Å; M384-V388 PolarHBondContact O-N 3.28Å; D385-V388 PolarHBondContact O-N 2.95Å; I386-V388 VanDerWaalsContact C-N 3.35Å; I386-V388 PolarHBondContact O-N 2.99Å; V388-K392 HydrophobicContact CG1-CD 3.94Å; V388-K392 WeakPolarHBondContact O-CB 3.34Å; V388-K392 VanDerWaalsContact O-CG 3.32Å; V388-K392 WeakPolarHBondContact O-CG 3.31Å; V388-K392 PolarHBondContact O-N 3.26Å
389	A	96.7	Very high	95.9	Very high	45 Å²	45	45.8 Å²	45.8	37%	0.372	23%	0.23	S	C	.	.	H	α-helix	trans	-62.9	-43.6	178	0	0	0	0	0	111.7	D385 I386 A387 K392 R393	D385-A389 VanDerWaalsContact O-CB 3.3Å; D385-A389 WeakPolarHBondContact O-CB 3.37Å; D385-A389 PolarHBondContact O-N 2.91Å; I386-A389 WeakPolarHBondContact O-CB 3.44Å; I386-A389 PolarHBondContact O-N 3.26Å; A387-A389 VanDerWaalsContact C-N 3.34Å; A387-A389 PolarHBondContact O-N 3.36Å; A389-K392 PolarHBondContact O-N 2.91Å; A389-R393 VanDerWaalsContact O-CB 3.3Å; A389-R393 WeakPolarHBondContact O-CB 3.18Å; A389-R393 PolarHBondContact O-N 3.49Å
390	N	97.5	Very high	95.9	Very high	38 Å²	38	41 Å²	41	20%	0.203	21%	0.208	C	C	.	.	H	α-helix	trans	-63.5	-46.5	178.2	-70	1.5	0	0	0	112	I386 A387 K392 R393 A394 H413 L416	I386-N390 PolarHBondContact O-N 3.39Å; I386-N390 PolarHBondContact O-OD1 3.17Å; A387-N390 PolarHBondContact O-N 3.31Å; N390-K392 VanDerWaalsContact C-N 3.35Å; N390-K392 PolarHBondContact O-N 3.38Å; N390-R393 PolarHBondContact O-N 2.85Å; N390-A394 VanDerWaalsContact O-CB 3.25Å; N390-A394 WeakPolarHBondContact O-CB 3.29Å; N390-A394 PolarHBondContact O-N 2.89Å; N390-H413 WeakPolarHBondContact CB-O 3.31Å; N390-H413 PolarHBondContact ND2-ND1 2.97Å; N390-H413 PolarHBondContact ND2-O 3.42Å; N390-H413 VanDerWaalsContact ND2-O 3.14Å; N390-L416 HydrophobicContact CB-CD1 4.48Å
391	V	97.9	Very high	96	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62	-42.9	177.8	169.9	0	0	0	0	111.4	L345 L348 A387 Y395 L404 L408 L416	L345-V391 HydrophobicContact CD2-CG1 4.22Å; L348-V391 HydrophobicContact CD2-CG1 4.22Å; L348-V391 HydrophobicContact CG-CG1 4.4Å; A387-V391 WeakPolarHBondContact O-CG2 3.18Å; A387-V391 PolarHBondContact O-N 2.75Å; V391-Y395 PolarHBondContact O-N 3.38Å; V391-Y395 VanDerWaalsContact O-N 3.07Å; V391-L404 HydrophobicContact CG1-CD2 4.19Å; V391-L408 HydrophobicContact CG2-CD1 4.4Å; V391-L408 HydrophobicContact CG2-CD2 4.15Å; V391-L416 HydrophobicContact CG2-CD1 3.93Å
392	K	96	Very high	96	Very high	59 Å²	59	35 Å²	35	26%	0.257	19%	0.19	S	C	.	.	H	α-helix	trans	-64.2	-45.8	176.1	-75.9	176.4	178	171.7	0	111.8	L345 T346 V388 A389 N390 Y395 C396	L345-K392 HydrophobicContact CB-CG 3.97Å; L345-K392 HydrophobicContact CD1-CG 4.43Å; T346-K392 WeakPolarHBondContact OG1-CE 3.14Å; T346-K392 PolarHBondContact OG1-NZ 2.88Å; V388-K392 HydrophobicContact CG1-CD 3.94Å; V388-K392 WeakPolarHBondContact O-CB 3.34Å; V388-K392 VanDerWaalsContact O-CG 3.32Å; V388-K392 WeakPolarHBondContact O-CG 3.31Å; V388-K392 PolarHBondContact O-N 3.26Å; A389-K392 PolarHBondContact O-N 2.91Å; N390-K392 VanDerWaalsContact C-N 3.35Å; N390-K392 PolarHBondContact O-N 3.38Å; K392-Y395 PolarHBondContact O-N 3.34Å; K392-C396 WeakPolarHBondContact O-CB 3.29Å; K392-C396 PolarHBondContact O-N 3.29Å; K392-C396 PolarHBondContact O-SG 3.41Å; K392-C396 VanDerWaalsContact O-SG 3.32Å
393	R	93.8	Very high	95.9	Very high	147 Å²	147	36.4 Å²	36.4	56%	0.555	19%	0.186	S	C	*	.	H	α-helix	trans	-59.2	-50.4	177.9	-174	-173.4	-59.8	-102.9	2.5	110.6	A389 N390 Y395 C396 V397	A389-R393 VanDerWaalsContact O-CB 3.3Å; A389-R393 WeakPolarHBondContact O-CB 3.18Å; A389-R393 PolarHBondContact O-N 3.49Å; N390-R393 PolarHBondContact O-N 2.85Å; R393-Y395 VanDerWaalsContact C-N 3.35Å; R393-Y395 PolarHBondContact O-N 3.3Å; R393-C396 WeakPolarHBondContact O-CB 3.1Å; R393-C396 PolarHBondContact O-N 2.69Å; R393-C396 VanDerWaalsContact O-N 3.09Å; R393-V397 WeakPolarHBondContact O-CG2 3.3Å; R393-V397 PolarHBondContact O-N 3.08Å
394	A	95.2	Very high	96	Very high	4 Å²	4	34.2 Å²	34.2	3%	0.033	17%	0.172	C	C	.	.	H	α-helix	trans	-56.7	-45	178.9	0	0	0	0	0	112.5	N390 V397 C398 L404 L416 C420	N390-A394 VanDerWaalsContact O-CB 3.25Å; N390-A394 WeakPolarHBondContact O-CB 3.29Å; N390-A394 PolarHBondContact O-N 2.89Å; A394-V397 VanDerWaalsContact O-CG2 3.26Å; A394-V397 WeakPolarHBondContact O-CG2 3.12Å; A394-C398 PolarHBondContact O-N 2.92Å; A394-L404 HydrophobicContact CB-CD1 3.8Å; A394-L416 HydrophobicContact CB-CB 3.75Å; A394-L416 HydrophobicContact CB-CD1 3.94Å; A394-L416 HydrophobicContact CB-CG 4.35Å; A394-C420 HydrophobicContact CB-CB 3.85Å
395	Y	95.9	Very high	96.1	Very high	6 Å²	6	33.3 Å²	33.3	2%	0.024	17%	0.168	C	C	.	.	H	α-helix	trans	-68.5	-37	175.3	-176.6	-108	0	0	0	112.9	E341 L345 V391 K392 R393 C398 P399 Y401 L404	E341-Y395 HydrophobicContact CG-CE1 4.48Å; E341-Y395 PolarHBondContact OE1-OH 3.08Å; L345-Y395 HydrophobicContact CD1-CD1 3.59Å; L345-Y395 HydrophobicContact CD1-CE1 4.19Å; L345-Y395 HydrophobicContact CD1-CG 4.21Å; L345-Y395 HydrophobicContact CD2-CD1 4.02Å; L345-Y395 HydrophobicContact CD2-CD2 4.47Å; L345-Y395 HydrophobicContact CD2-CG 3.81Å; L345-Y395 HydrophobicContact CG-CD1 4.37Å; V391-Y395 PolarHBondContact O-N 3.38Å; V391-Y395 VanDerWaalsContact O-N 3.07Å; K392-Y395 PolarHBondContact O-N 3.34Å; R393-Y395 VanDerWaalsContact C-N 3.35Å; R393-Y395 PolarHBondContact O-N 3.3Å; Y395-C398 CarbonylContact O-C 3.5Å; Y395-C398 PolarHBondContact O-N 3.16Å; Y395-P399 HydrophobicContact CE2-CB 4.25Å; Y395-P399 WeakPolarHBondContact O-CA 3.38Å; Y395-P399 WeakPolarHBondContact O-CD 3.24Å; Y395-P399 VanDerWaalsContact O-CG 3.31Å; Y395-P399 WeakPolarHBondContact O-CG 3.47Å; Y395-Y401 HydrophobicContact CD2-CD1 4.06Å; Y395-Y401 AromaticContact CD2-CE1 3.78Å; Y395-Y401 HydrophobicContact CD2-CE1 3.78Å; Y395-Y401 HydrophobicContact CD2-CE2 4.34Å; Y395-Y401 HydrophobicContact CD2-CG 4.46Å; Y395-Y401 AromaticContact CD2-CZ 3.92Å; Y395-Y401 HydrophobicContact CE1-CE2 4.42Å; Y395-Y401 AromaticContact CE1-CZ 3.96Å; Y395-Y401 AromaticContact CE2-CD1 3.96Å; Y395-Y401 HydrophobicContact CE2-CD1 3.96Å; Y395-Y401 AromaticContact CE2-CD2 3.73Å; Y395-Y401 HydrophobicContact CE2-CD2 3.73Å; Y395-Y401 AromaticContact CE2-CE1 3.66Å; Y395-Y401 HydrophobicContact CE2-CE1 3.66Å; Y395-Y401 AromaticContact CE2-CE2 3.39Å; Y395-Y401 HydrophobicContact CE2-CE2 3.39Å; Y395-Y401 AromaticContact CE2-CG 4Å; Y395-Y401 HydrophobicContact CE2-CG 4Å; Y395-Y401 AromaticContact CE2-CZ 3.34Å; Y395-Y401 HydrophobicContact CG-CE1 4.34Å; Y395-Y401 AromaticContact CZ-CE2 3.42Å; Y395-Y401 VanDerWaalsContact CZ-CE2 3.42Å; Y395-Y401 AromaticContact CZ-CZ 3.34Å; Y395-Y401 VanDerWaalsContact CZ-OH 3.32Å; Y395-Y401 WeakPolarHBondContact OH-CE2 3.29Å; Y395-Y401 PolarHBondContact OH-OH 2.98Å; Y395-L404 HydrophobicContact CD2-CD2 4.35Å
396	C	92.1	Very high	96.1	Very high	19 Å²	19	36.4 Å²	36.4	13%	0.128	18%	0.177	C	C	.	.	H	α-helix	trans	-61.4	-46.7	177	-79.5	0	0	0	0	111.3	K392 R393 I654	K392-C396 WeakPolarHBondContact O-CB 3.29Å; K392-C396 PolarHBondContact O-N 3.29Å; K392-C396 PolarHBondContact O-SG 3.41Å; K392-C396 VanDerWaalsContact O-SG 3.32Å; R393-C396 WeakPolarHBondContact O-CB 3.1Å; R393-C396 PolarHBondContact O-N 2.69Å; R393-C396 VanDerWaalsContact O-N 3.09Å; C396-I654 HydrophobicContact CB-CB 4.06Å; C396-I654 HydrophobicContact CB-CG2 3.61Å; C396-I654 WeakPolarHBondContact O-CG2 3.37Å
397	V	91.8	Very high	96	Very high	20 Å²	20	32.6 Å²	32.6	12%	0.121	16%	0.157	C	C	.	.	H	α-helix	trans	-75.4	-26	179.9	-58.9	0	0	0	0	113.3	R393 A394 C420 I422 L428 I590 I654	R393-V397 WeakPolarHBondContact O-CG2 3.3Å; R393-V397 PolarHBondContact O-N 3.08Å; A394-V397 VanDerWaalsContact O-CG2 3.26Å; A394-V397 WeakPolarHBondContact O-CG2 3.12Å; V397-C420 WeakPolarHBondContact CG2-O 3.36Å; V397-I422 HydrophobicContact CB-CG1 4.28Å; V397-L428 WeakPolarHBondContact O-CD2 3.47Å; V397-I590 HydrophobicContact CG1-CD1 3.94Å; V397-I654 HydrophobicContact CB-CD1 4.42Å; V397-I654 HydrophobicContact CG1-CD1 3.74Å
398	C	93.6	Very high	96	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.007	16%	0.157	C	C	.	.	S	Bend	trans	-137.7	85.6	176.5	-167.2	0	0	0	0	109.6	A394 Y395 D400 C420	A394-C398 PolarHBondContact O-N 2.92Å; Y395-C398 CarbonylContact O-C 3.5Å; Y395-C398 PolarHBondContact O-N 3.16Å; C398-D400 PolarHBondContact O-N 3.35Å; C398-C420 HydrophobicContact CB-CB 3.96Å
399	P	94.9	Very high	95.9	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.019	17%	0.167	C	C	.	.			trans	-70.6	54.8	-175.6	-24.4	37.7	0	0	0	115.6	Y395 P427	Y395-P399 HydrophobicContact CE2-CB 4.25Å; Y395-P399 WeakPolarHBondContact O-CA 3.38Å; Y395-P399 WeakPolarHBondContact O-CD 3.24Å; Y395-P399 VanDerWaalsContact O-CG 3.31Å; Y395-P399 WeakPolarHBondContact O-CG 3.47Å; P399-P427 WeakPolarHBondContact CD-O 3.25Å; P399-P427 VanDerWaalsContact CG-O 3.25Å; P399-P427 WeakPolarHBondContact CG-O 3.2Å
400	D	95.9	Very high	95.7	Very high	11 Å²	11	36.3 Å²	36.3	6%	0.059	17%	0.174	C	C	.	.			trans	-134.4	107	-178.8	-177.5	-24.7	0	0	0	109.8	Y230 C398 S402 R403 L404	Y230-D400 PolarHBondContact OH-OD2 2.96Å; C398-D400 PolarHBondContact O-N 3.35Å; D400-S402 VanDerWaalsContact C-N 3.26Å; D400-S402 PolarHBondContact O-N 2.78Å; D400-S402 WeakPolarHBondContact OD1-CA 3.29Å; D400-S402 WeakPolarHBondContact OD1-CB 3.46Å; D400-S402 PolarHBondContact OD1-N 3.34Å; D400-R403 HydrophobicContact CB-CB 4.11Å; D400-R403 HydrophobicContact CB-CG 4.16Å; D400-R403 PolarHBondContact O-N 2.84Å; D400-R403 PolarHBondContact OD1-N 3.37Å; D400-R403 VanDerWaalsContact OD1-N 3.08Å; D400-R403 WeakPolarHBondContact OD2-CD 3.12Å; D400-R403 WeakPolarHBondContact OD2-CG 3.37Å; D400-R403 IonicContact OD2-NE 2.69Å; D400-L404 WeakPolarHBondContact O-CB 3.08Å; D400-L404 PolarHBondContact O-N 3.08Å
401	Y	97.2	Very high	95.6	Very high	1 Å²	1	40 Å²	40	0%	0.004	19%	0.188	C	C	.	.	H	α-helix	trans	-64.7	-29.4	178.3	-71.4	-68.7	0	0	0	113.3	V219 Y220 L223 E341 L345 Y395 L404 I405	V219-Y401 HydrophobicContact CG1-CD1 3.51Å; V219-Y401 HydrophobicContact CG1-CD2 4.13Å; V219-Y401 HydrophobicContact CG1-CE1 3.82Å; V219-Y401 HydrophobicContact CG1-CE2 4.4Å; V219-Y401 HydrophobicContact CG1-CG 3.68Å; Y220-Y401 HydrophobicContact CD1-CD2 4.24Å; Y220-Y401 AromaticContact CE1-CD2 3.73Å; Y220-Y401 HydrophobicContact CE1-CD2 3.73Å; Y220-Y401 HydrophobicContact CE1-CG 4.43Å; L223-Y401 HydrophobicContact CD1-CD2 3.99Å; L223-Y401 HydrophobicContact CD1-CE1 4.43Å; L223-Y401 HydrophobicContact CD1-CE2 3.15Å; L223-Y401 VanDerWaalsContact CD1-CZ 3.44Å; L223-Y401 WeakPolarHBondContact CD1-OH 3.35Å; E341-Y401 WeakPolarHBondContact CG-OH 3.41Å; E341-Y401 PolarHBondContact OE1-OH 2.86Å; L345-Y401 HydrophobicContact CD2-CE1 3.73Å; L345-Y401 HydrophobicContact CG-CE1 4.48Å; Y395-Y401 HydrophobicContact CD2-CD1 4.06Å; Y395-Y401 AromaticContact CD2-CE1 3.78Å; Y395-Y401 HydrophobicContact CD2-CE1 3.78Å; Y395-Y401 HydrophobicContact CD2-CE2 4.34Å; Y395-Y401 HydrophobicContact CD2-CG 4.46Å; Y395-Y401 AromaticContact CD2-CZ 3.92Å; Y395-Y401 HydrophobicContact CE1-CE2 4.42Å; Y395-Y401 AromaticContact CE1-CZ 3.96Å; Y395-Y401 AromaticContact CE2-CD1 3.96Å; Y395-Y401 HydrophobicContact CE2-CD1 3.96Å; Y395-Y401 AromaticContact CE2-CD2 3.73Å; Y395-Y401 HydrophobicContact CE2-CD2 3.73Å; Y395-Y401 AromaticContact CE2-CE1 3.66Å; Y395-Y401 HydrophobicContact CE2-CE1 3.66Å; Y395-Y401 AromaticContact CE2-CE2 3.39Å; Y395-Y401 HydrophobicContact CE2-CE2 3.39Å; Y395-Y401 AromaticContact CE2-CG 4Å; Y395-Y401 HydrophobicContact CE2-CG 4Å; Y395-Y401 AromaticContact CE2-CZ 3.34Å; Y395-Y401 HydrophobicContact CG-CE1 4.34Å; Y395-Y401 AromaticContact CZ-CE2 3.42Å; Y395-Y401 VanDerWaalsContact CZ-CE2 3.42Å; Y395-Y401 AromaticContact CZ-CZ 3.34Å; Y395-Y401 VanDerWaalsContact CZ-OH 3.32Å; Y395-Y401 WeakPolarHBondContact OH-CE2 3.29Å; Y395-Y401 PolarHBondContact OH-OH 2.98Å; Y401-L404 HydrophobicContact CD1-CD2 4.17Å; Y401-L404 HydrophobicContact CE1-CD2 4.48Å; Y401-I405 WeakPolarHBondContact O-CB 3.44Å; Y401-I405 VanDerWaalsContact O-CD1 3.31Å; Y401-I405 WeakPolarHBondContact O-CD1 3.31Å; Y401-I405 WeakPolarHBondContact O-CG1 3.46Å; Y401-I405 PolarHBondContact O-N 3.48Å
402	S	96.2	Very high	95.4	Very high	51 Å²	51	41.2 Å²	41.2	36%	0.357	20%	0.196	S	C	.	.	H	α-helix	trans	-65.6	-43.7	177.5	-50	0	0	0	0	110.2	Y220 D400 K406	Y220-S402 PolarHBondContact OH-OG 2.89Å; D400-S402 VanDerWaalsContact C-N 3.26Å; D400-S402 PolarHBondContact O-N 2.78Å; D400-S402 WeakPolarHBondContact OD1-CA 3.29Å; D400-S402 WeakPolarHBondContact OD1-CB 3.46Å; D400-S402 PolarHBondContact OD1-N 3.34Å; S402-K406 WeakPolarHBondContact O-CB 3.46Å; S402-K406 PolarHBondContact O-N 2.89Å
403	R	96	Very high	95.4	Very high	116 Å²	116	39.4 Å²	39.4	44%	0.438	19%	0.189	S	C	.	.	H	α-helix	trans	-66.4	-49	174.8	-71.9	177.7	176.2	-112.7	1.6	112.2	D400 I405 K406 A407	D400-R403 HydrophobicContact CB-CB 4.11Å; D400-R403 HydrophobicContact CB-CG 4.16Å; D400-R403 PolarHBondContact O-N 2.84Å; D400-R403 PolarHBondContact OD1-N 3.37Å; D400-R403 VanDerWaalsContact OD1-N 3.08Å; D400-R403 WeakPolarHBondContact OD2-CD 3.12Å; D400-R403 WeakPolarHBondContact OD2-CG 3.37Å; D400-R403 IonicContact OD2-NE 2.69Å; R403-I405 PolarHBondContact O-N 2.93Å; R403-K406 PolarHBondContact O-N 3.29Å; R403-A407 WeakPolarHBondContact O-CB 3.43Å; R403-A407 PolarHBondContact O-N 3.3Å
404	L	97.7	Very high	95.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-57.1	-48.9	178.3	175.5	64	0	0	0	111.8	L345 L348 V391 A394 Y395 D400 Y401 A407 L408 L416	L345-L404 HydrophobicContact CD2-CD2 4.22Å; L348-L404 HydrophobicContact CD2-CD2 4.15Å; V391-L404 HydrophobicContact CG1-CD2 4.19Å; A394-L404 HydrophobicContact CB-CD1 3.8Å; Y395-L404 HydrophobicContact CD2-CD2 4.35Å; D400-L404 WeakPolarHBondContact O-CB 3.08Å; D400-L404 PolarHBondContact O-N 3.08Å; Y401-L404 HydrophobicContact CD1-CD2 4.17Å; Y401-L404 HydrophobicContact CE1-CD2 4.48Å; L404-A407 WeakPolarHBondContact O-CB 3.27Å; L404-A407 PolarHBondContact O-N 3.46Å; L404-L408 HydrophobicContact CD1-CD1 4.2Å; L404-L408 HydrophobicContact CD1-CG 4.41Å; L404-L408 HydrophobicContact CG-CD1 4.07Å; L404-L408 WeakPolarHBondContact O-CG 3.19Å; L404-L408 PolarHBondContact O-N 2.8Å; L404-L416 HydrophobicContact CD1-CD1 4.13Å; L404-L416 HydrophobicContact CD1-CD2 4.16Å
405	I	98.2	Very high	95.5	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-67.9	-42.1	-178.7	-69	164.3	0	0	0	110.3	L215 T216 V219 Y401 R403 A407 L408 L409	L215-I405 HydrophobicContact CB-CG2 4.17Å; L215-I405 HydrophobicContact CD2-CG2 3.75Å; L215-I405 HydrophobicContact CG-CD1 4.29Å; L215-I405 HydrophobicContact CG-CG2 3.97Å; T216-I405 VanDerWaalsContact CA-CD1 3.47Å; T216-I405 HydrophobicContact CG2-CD1 4.4Å; V219-I405 HydrophobicContact CB-CD1 4.1Å; V219-I405 HydrophobicContact CG2-CD1 3.85Å; Y401-I405 WeakPolarHBondContact O-CB 3.44Å; Y401-I405 VanDerWaalsContact O-CD1 3.31Å; Y401-I405 WeakPolarHBondContact O-CD1 3.31Å; Y401-I405 WeakPolarHBondContact O-CG1 3.46Å; Y401-I405 PolarHBondContact O-N 3.48Å; R403-I405 PolarHBondContact O-N 2.93Å; I405-A407 PolarHBondContact O-N 3.2Å; I405-L408 PolarHBondContact O-N 3.13Å; I405-L409 HydrophobicContact CG2-CD1 3.9Å; I405-L409 HydrophobicContact CG2-CG 4.19Å; I405-L409 WeakPolarHBondContact O-CB 3.49Å; I405-L409 VanDerWaalsContact O-CG 3.22Å; I405-L409 WeakPolarHBondContact O-CG 3.01Å; I405-L409 PolarHBondContact O-N 3.41Å
406	K	96.8	Very high	95.5	Very high	151 Å²	151	39.6 Å²	39.6	66%	0.657	20%	0.199	S	C	*	.	H	α-helix	trans	-57	-40.2	173.3	-176.6	179.2	178.3	-178	0	111.8	S402 R403 L409 T410	S402-K406 WeakPolarHBondContact O-CB 3.46Å; S402-K406 PolarHBondContact O-N 2.89Å; R403-K406 PolarHBondContact O-N 3.29Å; K406-L409 PolarHBondContact O-N 3.19Å; K406-T410 WeakPolarHBondContact O-CG2 2.97Å; K406-T410 PolarHBondContact O-N 3.22Å; K406-T410 PolarHBondContact O-OG1 3.33Å
407	A	96.9	Very high	95.4	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.008	22%	0.218	C	C	.	.	H	α-helix	trans	-64.7	-47.9	175.5	0	0	0	0	0	111.5	R403 L404 I405 L409 T410 K411 L416 I419	R403-A407 WeakPolarHBondContact O-CB 3.43Å; R403-A407 PolarHBondContact O-N 3.3Å; L404-A407 WeakPolarHBondContact O-CB 3.27Å; L404-A407 PolarHBondContact O-N 3.46Å; I405-A407 PolarHBondContact O-N 3.2Å; A407-L409 VanDerWaalsContact C-N 3.26Å; A407-L409 PolarHBondContact O-N 3.19Å; A407-T410 PolarHBondContact O-N 3.4Å; A407-T410 PolarHBondContact O-OG1 2.87Å; A407-T410 VanDerWaalsContact O-OG1 3.08Å; A407-K411 PolarHBondContact O-N 3.5Å; A407-L416 HydrophobicContact CB-CD2 3.55Å; A407-I419 HydrophobicContact CB-CB 4.12Å; A407-I419 HydrophobicContact CB-CD1 4.02Å; A407-I419 HydrophobicContact CB-CG2 3.73Å
408	L	97.4	Very high	95.3	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-61.8	-29.4	177.5	-72.9	172.4	0	0	0	114.2	L348 V352 H358 V391 L404 I405 T410 H413 L416	L348-L408 HydrophobicContact CD1-CD1 4.4Å; L348-L408 HydrophobicContact CD2-CD1 3.91Å; L348-L408 HydrophobicContact CG-CD1 4.07Å; V352-L408 HydrophobicContact CB-CD2 4.39Å; V352-L408 HydrophobicContact CG1-CD2 3.89Å; V352-L408 HydrophobicContact CG2-CB 4.48Å; V352-L408 HydrophobicContact CG2-CD1 4.01Å; V352-L408 HydrophobicContact CG2-CD2 3.86Å; V352-L408 HydrophobicContact CG2-CG 4.35Å; H358-L408 PolarHBondContact N-O 2.86Å; V391-L408 HydrophobicContact CG2-CD1 4.4Å; V391-L408 HydrophobicContact CG2-CD2 4.15Å; L404-L408 HydrophobicContact CD1-CD1 4.2Å; L404-L408 HydrophobicContact CD1-CG 4.41Å; L404-L408 HydrophobicContact CG-CD1 4.07Å; L404-L408 WeakPolarHBondContact O-CG 3.19Å; L404-L408 PolarHBondContact O-N 2.8Å; I405-L408 PolarHBondContact O-N 3.13Å; L408-T410 VanDerWaalsContact C-N 3.34Å; L408-H413 HydrophobicContact CD2-CB 4.24Å; L408-L416 HydrophobicContact CD2-CD1 3.9Å; L408-L416 HydrophobicContact CD2-CD2 4Å; L408-L416 HydrophobicContact CD2-CG 4.35Å; L408-L416 HydrophobicContact CG-CD2 4.12Å
409	L	95.5	Very high	95.2	Very high	50 Å²	50	52.8 Å²	52.8	26%	0.262	26%	0.262	S	S	.	.	H	α-helix	trans	-77.4	-19.4	175.3	-69.2	174.7	0	0	0	113	F357 I405 K406 A407	F357-L409 HydrophobicContact CB-CD2 3.79Å; F357-L409 HydrophobicContact CD2-CD2 4.5Å; F357-L409 HydrophobicContact CG-CD2 4.48Å; I405-L409 HydrophobicContact CG2-CD1 3.9Å; I405-L409 HydrophobicContact CG2-CG 4.19Å; I405-L409 WeakPolarHBondContact O-CB 3.49Å; I405-L409 VanDerWaalsContact O-CG 3.22Å; I405-L409 WeakPolarHBondContact O-CG 3.01Å; I405-L409 PolarHBondContact O-N 3.41Å; K406-L409 PolarHBondContact O-N 3.19Å; A407-L409 VanDerWaalsContact C-N 3.26Å; A407-L409 PolarHBondContact O-N 3.19Å
410	T	93.9	Very high	95.2	Very high	83 Å²	83	52.8 Å²	52.8	51%	0.509	26%	0.262	S	S	.	.	H	α-helix	trans	-111.7	-26.5	-172.8	52.8	0	0	0	0	113.9	K406 A407 L408	K406-T410 WeakPolarHBondContact O-CG2 2.97Å; K406-T410 PolarHBondContact O-N 3.22Å; K406-T410 PolarHBondContact O-OG1 3.33Å; A407-T410 PolarHBondContact O-N 3.4Å; A407-T410 PolarHBondContact O-OG1 2.87Å; A407-T410 VanDerWaalsContact O-OG1 3.08Å; L408-T410 VanDerWaalsContact C-N 3.34Å
411	K	94.1	Very high	95.1	Very high	117 Å²	117	55.5 Å²	55.5	51%	0.509	28%	0.279	S	S	.	.	S	Bend	trans	-140.6	169.2	-177	-61.4	-65	-178.1	172.3	0	111.8	H358 A407 I419	H358-K411 PolarHBondContact ND1-O 3.15Å; A407-K411 PolarHBondContact O-N 3.5Å; K411-I419 HydrophobicContact CB-CD1 4.15Å; K411-I419 HydrophobicContact CG-CD1 3.73Å
412	S	94.2	Very high	94.9	Very high	25 Å²	25	56 Å²	56	18%	0.175	28%	0.281	C	S	.	.			trans	-63.1	154.4	170.6	179.8	0	0	0	0	111.5	H358 E414 S415	H358-S412 VanDerWaalsContact CE1-CA 3.41Å; H358-S412 WeakPolarHBondContact CE1-CA 3.47Å; S412-E414 PolarHBondContact O-N 2.9Å; S412-E414 VanDerWaalsContact O-N 3.13Å; S412-E414 PolarHBondContact OG-N 3.28Å; S412-S415 PolarHBondContact O-N 2.97Å; S412-S415 VanDerWaalsContact O-N 3.07Å
413	H	95.7	Very high	94.9	Very high	20 Å²	20	55.2 Å²	55.2	9%	0.093	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-60.7	-19.1	172.6	66.6	78.4	0	0	0	112.5	V352 N390 L408 S415 L416	V352-H413 HydrophobicContact CG1-CB 4.16Å; N390-H413 WeakPolarHBondContact CB-O 3.31Å; N390-H413 PolarHBondContact ND2-ND1 2.97Å; N390-H413 PolarHBondContact ND2-O 3.42Å; N390-H413 VanDerWaalsContact ND2-O 3.14Å; L408-H413 HydrophobicContact CD2-CB 4.24Å; H413-S415 VanDerWaalsContact C-N 3.32Å; H413-L416 HydrophobicContact CB-CD1 4.13Å; H413-L416 WeakPolarHBondContact O-CD1 3.29Å; H413-L416 WeakPolarHBondContact O-CG 3.3Å
414	E	95.9	Very high	94.8	Very high	128 Å²	128	50.7 Å²	50.7	60%	0.598	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-71.6	-24.2	176	-63	174.5	149.7	0	0	113.1	S412	S412-E414 PolarHBondContact O-N 2.9Å; S412-E414 VanDerWaalsContact O-N 3.13Å; S412-E414 PolarHBondContact OG-N 3.28Å
415	S	95.2	Very high	94.8	Very high	30 Å²	30	51.5 Å²	51.5	21%	0.21	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-98.9	14.4	-179.4	-44.1	0	0	0	0	112.9	S412 H413 D417 Q418	S412-S415 PolarHBondContact O-N 2.97Å; S412-S415 VanDerWaalsContact O-N 3.07Å; H413-S415 VanDerWaalsContact C-N 3.32Å; S415-D417 VanDerWaalsContact C-N 3.35Å; S415-Q418 PolarHBondContact O-N 3.44Å
416	L	95.6	Very high	94.7	Very high	3 Å²	3	51.9 Å²	51.9	2%	0.016	27%	0.271	C	S	.	.	S	Bend	trans	-69.5	-33	-176.2	-73.8	175.2	0	0	0	112.8	N390 V391 A394 L404 A407 L408 H413 Q418 I419 C420	N390-L416 HydrophobicContact CB-CD1 4.48Å; V391-L416 HydrophobicContact CG2-CD1 3.93Å; A394-L416 HydrophobicContact CB-CB 3.75Å; A394-L416 HydrophobicContact CB-CD1 3.94Å; A394-L416 HydrophobicContact CB-CG 4.35Å; L404-L416 HydrophobicContact CD1-CD1 4.13Å; L404-L416 HydrophobicContact CD1-CD2 4.16Å; A407-L416 HydrophobicContact CB-CD2 3.55Å; L408-L416 HydrophobicContact CD2-CD1 3.9Å; L408-L416 HydrophobicContact CD2-CD2 4Å; L408-L416 HydrophobicContact CD2-CG 4.35Å; L408-L416 HydrophobicContact CG-CD2 4.12Å; H413-L416 HydrophobicContact CB-CD1 4.13Å; H413-L416 WeakPolarHBondContact O-CD1 3.29Å; H413-L416 WeakPolarHBondContact O-CG 3.3Å; L416-Q418 PolarHBondContact O-N 2.87Å; L416-I419 PolarHBondContact O-N 3.08Å; L416-I419 VanDerWaalsContact O-N 3.13Å; L416-C420 WeakPolarHBondContact O-CA 3.43Å; L416-C420 WeakPolarHBondContact O-CB 3.45Å; L416-C420 PolarHBondContact O-N 3.35Å
417	D	90.9	Very high	94.6	Very high	99 Å²	99	44.8 Å²	44.8	53%	0.529	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-31.7	175.5	61.5	-25.4	0	0	0	113	S415 I419 T421	S415-D417 VanDerWaalsContact C-N 3.35Å; D417-I419 VanDerWaalsContact C-N 3.3Å; D417-I419 PolarHBondContact O-N 2.79Å; D417-T421 WeakPolarHBondContact O-CG2 3.43Å
418	Q	89.8	Confident	94.5	Very high	147 Å²	147	44.8 Å²	44.8	69%	0.687	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-19.1	176.7	-62.9	167	21.5	0	0	113.2	S415 L416	S415-Q418 PolarHBondContact O-N 3.44Å; L416-Q418 PolarHBondContact O-N 2.87Å
419	I	91.3	Very high	94.1	Very high	72 Å²	72	46.8 Å²	46.8	37%	0.369	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.2	-45	-172.3	-58.2	172.3	0	0	0	111.6	A407 K411 L416 D417 T421	A407-I419 HydrophobicContact CB-CB 4.12Å; A407-I419 HydrophobicContact CB-CD1 4.02Å; A407-I419 HydrophobicContact CB-CG2 3.73Å; K411-I419 HydrophobicContact CB-CD1 4.15Å; K411-I419 HydrophobicContact CG-CD1 3.73Å; L416-I419 PolarHBondContact O-N 3.08Å; L416-I419 VanDerWaalsContact O-N 3.13Å; D417-I419 VanDerWaalsContact C-N 3.3Å; D417-I419 PolarHBondContact O-N 2.79Å; I419-T421 PolarHBondContact O-N 3.21Å
420	C	94.3	Very high	93.9	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.014	24%	0.239	C	C	.	.	S	Bend	trans	-92.6	81.7	177.8	-60.7	0	0	0	0	107.7	A394 V397 C398 L416	A394-C420 HydrophobicContact CB-CB 3.85Å; V397-C420 WeakPolarHBondContact CG2-O 3.36Å; C398-C420 HydrophobicContact CB-CB 3.96Å; L416-C420 WeakPolarHBondContact O-CA 3.43Å; L416-C420 WeakPolarHBondContact O-CB 3.45Å; L416-C420 PolarHBondContact O-N 3.35Å
421	T	93.3	Very high	93.9	Very high	68 Å²	68	40.9 Å²	40.9	42%	0.417	22%	0.215	S	C	.	.			trans	-106.7	160.9	177.9	55.9	0	0	0	0	111	D417 I419 T423	D417-T421 WeakPolarHBondContact O-CG2 3.43Å; I419-T421 PolarHBondContact O-N 3.21Å; T421-T423 PolarHBondContact O-N 3.27Å; T421-T423 PolarHBondContact O-OG1 2.82Å
422	I	94.6	Very high	93.8	Very high	11 Å²	11	37.4 Å²	37.4	6%	0.056	20%	0.201	C	C	.	.			trans	-56.6	124.6	170.4	-57.3	-175.4	0	0	0	108.5	V397 L428 I536 F583 S588 I590	V397-I422 HydrophobicContact CB-CG1 4.28Å; I422-L428 HydrophobicContact CD1-CD1 4.25Å; I422-L428 HydrophobicContact CG1-CD2 4.19Å; I422-L428 HydrophobicContact CG2-CD1 4.09Å; I422-I536 HydrophobicContact CG2-CD1 3.39Å; I422-F583 HydrophobicContact CB-CD2 4.14Å; I422-F583 HydrophobicContact CG2-CB 3.95Å; I422-F583 HydrophobicContact CG2-CD2 3.9Å; I422-F583 HydrophobicContact CG2-CG 4.12Å; I422-S588 VanDerWaalsContact CD1-OG 3.24Å; I422-S588 WeakPolarHBondContact CD1-OG 3.34Å; I422-I590 HydrophobicContact CD1-CB 4.4Å; I422-I590 HydrophobicContact CD1-CD1 3.92Å; I422-I590 HydrophobicContact CD1-CG1 4.06Å; I422-I590 HydrophobicContact CD1-CG2 3.52Å
423	T	94.7	Very high	93.7	Very high	36 Å²	36	36.8 Å²	36.8	22%	0.221	20%	0.197	C	C	.	.			trans	-131	118.3	-175.7	-58	0	0	0	0	109	T421 G425 I426	T421-T423 PolarHBondContact O-N 3.27Å; T421-T423 PolarHBondContact O-OG1 2.82Å; T423-G425 PolarHBondContact O-N 3.38Å; T423-I426 HydrophobicContact CG2-CD1 4.3Å; T423-I426 HydrophobicContact CG2-CG1 4.5Å; T423-I426 PolarHBondContact O-N 2.57Å
424	P	95.7	Very high	93.5	Very high	21 Å²	21	36.3 Å²	36.3	14%	0.136	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	133.9	170.1	-28.5	35.6	0	0	0	111.8	L467 I536 F583	P424-L467 HydrophobicContact CB-CD1 4.2Å; P424-L467 HydrophobicContact CB-CG 4.32Å; P424-I536 HydrophobicContact CG-CG1 4.44Å; P424-F583 HydrophobicContact CG-CD1 3.69Å; P424-F583 HydrophobicContact CG-CE1 3.31Å; P424-F583 HydrophobicContact CG-CZ 4Å
425	G	95.9	Very high	93.3	Very high	16 Å²	16	32.6 Å²	32.6	17%	0.165	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	92	-10.4	-169.1	0	0	0	0	0	115.4	T423 H465 Y475	T423-G425 PolarHBondContact O-N 3.38Å; G425-H465 PolarHBondContact N-ND1 2.99Å; G425-Y475 PolarHBondContact O-OH 3.33Å; G425-Y475 VanDerWaalsContact O-OH 3.05Å
426	I	96.1	Very high	93	Very high	10 Å²	10	31.1 Å²	31.1	5%	0.051	17%	0.173	C	C	.	.	S	Bend	trans	-116	103.4	172.3	-57.1	-177.8	0	0	0	108.3	Y230 T423 H465	Y230-I426 HydrophobicContact CE1-CG2 3.83Å; T423-I426 HydrophobicContact CG2-CD1 4.3Å; T423-I426 HydrophobicContact CG2-CG1 4.5Å; T423-I426 PolarHBondContact O-N 2.57Å; I426-H465 PolarHBondContact O-CE1 2.98Å; I426-H465 VanDerWaalsContact O-CE1 3.32Å
427	P	96.2	Very high	92.4	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.006	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-67.6	139.5	-177	26.6	-36.5	0	0	0	113.2	Y230 P399 Q463 Y475 Q479	Y230-P427 HydrophobicContact CD1-CG 3.88Å; Y230-P427 HydrophobicContact CG-CG 4.1Å; P399-P427 WeakPolarHBondContact CD-O 3.25Å; P399-P427 VanDerWaalsContact CG-O 3.25Å; P399-P427 WeakPolarHBondContact CG-O 3.2Å; P427-Q463 VanDerWaalsContact CA-OE1 3.29Å; P427-Y475 HydrophobicContact CB-CD1 3.99Å; P427-Y475 HydrophobicContact CB-CD2 3.76Å; P427-Y475 HydrophobicContact CB-CE2 4.43Å; P427-Y475 HydrophobicContact CB-CG 3.5Å; P427-Y475 HydrophobicContact CG-CD1 3.58Å; P427-Y475 HydrophobicContact CG-CD2 4.14Å; P427-Y475 HydrophobicContact CG-CE1 4.01Å; P427-Y475 HydrophobicContact CG-CE2 4.5Å; P427-Y475 HydrophobicContact CG-CG 3.66Å; P427-Q479 HydrophobicContact CB-CB 4.13Å; P427-Q479 HydrophobicContact CB-CG 4.14Å; P427-Q479 HydrophobicContact CG-CB 3.7Å; P427-Q479 HydrophobicContact CG-CG 4.16Å; P427-Q479 PolarHBondContact O-OE1 3.46Å
428	L	93.5	Very high	91.8	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.01	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-83.8	147.3	173.6	-61.2	155.9	0	0	0	109.8	V397 I422 Q463 L582 I654	V397-L428 WeakPolarHBondContact O-CD2 3.47Å; I422-L428 HydrophobicContact CD1-CD1 4.25Å; I422-L428 HydrophobicContact CG1-CD2 4.19Å; I422-L428 HydrophobicContact CG2-CD1 4.09Å; L428-Q463 PolarHBondContact O-NE2 2.73Å; L428-L582 HydrophobicContact CD1-CB 4.25Å; L428-L582 HydrophobicContact CD1-CD1 3.7Å; L428-I654 HydrophobicContact CD2-CD1 3.91Å
429	K	89.5	Confident	91.3	Very high	41 Å²	41	27.1 Å²	27.1	18%	0.178	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-65.8	131.8	166.5	-77.6	-169.4	178.4	-174.8	0	110.4	E341 Q479 I654 A655	E341-K429 IonicContact OE2-NZ 2.84Å; E341-K429 PolarHBondContact OE2-NZ 3.34Å; K429-Q479 VanDerWaalsContact CG-CD 3.46Å; K429-Q479 HydrophobicContact CG-CG 4.34Å; K429-I654 HydrophobicContact CB-CG2 4.05Å; K429-I654 WeakPolarHBondContact O-CG2 3.38Å; K429-A655 HydrophobicContact CB-CB 3.66Å; K429-A655 HydrophobicContact CD-CB 3.61Å; K429-A655 HydrophobicContact CG-CB 4.29Å; K429-A655 PolarHBondContact O-N 2.93Å
430	P	91.6	Very high	90.5	Very high	10 Å²	10	32.6 Å²	32.6	7%	0.065	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-67.6	148.9	-176.8	20.7	-27.9	0	0	0	113	R461 R477 Y652	P430-R461 VanDerWaalsContact CB-NH2 3.3Å; P430-R477 WeakPolarHBondContact CD-O 3.3Å; P430-R477 HydrophobicContact CG-CB 4.41Å; P430-R477 HydrophobicContact CG-CG 3.7Å; P430-R477 WeakPolarHBondContact CG-O 3.44Å; P430-Y652 VanDerWaalsContact CA-OH 3.3Å; P430-Y652 WeakPolarHBondContact CA-OH 3.16Å
431	M	92.9	Very high	90	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-65	137.5	163.9	-174.4	179	-177.1	0	0	110	R461 Y652 E653 S658 W661	M431-R461 PolarHBondContact O-NH1 3.33Å; M431-R461 PolarHBondContact O-NH2 3.48Å; M431-Y652 HydrophobicContact CB-CD1 4.23Å; M431-Y652 HydrophobicContact CB-CD2 4.09Å; M431-Y652 HydrophobicContact CB-CE1 3.89Å; M431-Y652 HydrophobicContact CB-CE2 3.78Å; M431-Y652 HydrophobicContact CB-CG 4.34Å; M431-Y652 PolarHBondContact N-OH 2.78Å; M431-Y652 VanDerWaalsContact N-OH 3.12Å; M431-Y652 HydrophobicContact SD-CD2 4.18Å; M431-Y652 HydrophobicContact SD-CG 4.42Å; M431-E653 HydrophobicContact CE-CB 4.18Å; M431-E653 HydrophobicContact CE-CG 4.18Å; M431-E653 HydrophobicContact CG-CB 4.3Å; M431-E653 HydrophobicContact SD-CB 4.45Å; M431-E653 PolarHBondContact SD-N 3.07Å; M431-E653 VanDerWaalsContact SD-N 3.45Å; M431-S658 WeakPolarHBondContact CE-OG 3.45Å; M431-W661 HydrophobicContact CB-CZ3 4.35Å; M431-W661 HydrophobicContact CE-CB 4.37Å; M431-W661 HydrophobicContact CE-CD2 4.1Å; M431-W661 HydrophobicContact CE-CG 3.77Å; M431-W661 HydrophobicContact CG-CD2 4.24Å; M431-W661 HydrophobicContact CG-CE3 4.24Å; M431-W661 HydrophobicContact SD-CD2 3.82Å; M431-W661 HydrophobicContact SD-CE3 4.34Å; M431-W661 HydrophobicContact SD-CG 4.16Å; M431-W661 HydrophobicContact SD-CH2 4.46Å; M431-W661 HydrophobicContact SD-CZ2 3.97Å
432	L	92	Very high	89.5	Confident	44 Å²	44	33.5 Å²	33.5	23%	0.23	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	140.4	-176.6	-58.6	179.5	0	0	0	111.2	R477 K656 R657 S658	L432-R477 VanDerWaalsContact CD2-NH2 3.32Å; L432-K656 WeakPolarHBondContact CB-O 3.38Å; L432-K656 PolarHBondContact N-O 3.13Å; L432-R657 HydrophobicContact CB-CB 4.45Å; L432-R657 CarbonylContact O-C 3.55Å; L432-R657 WeakPolarHBondContact O-CA 3.47Å; L432-S658 PolarHBondContact O-N 2.7Å
433	A	93	Very high	88.7	Confident	11 Å²	11	35.1 Å²	35.1	9%	0.091	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	144.9	177.6	0	0	0	0	0	113.3	M642 W661 K663	A433-M642 HydrophobicContact CB-CE 3.56Å; A433-W661 CarbonylContact C-O 3.53Å; A433-W661 VanDerWaalsContact CA-O 3.22Å; A433-W661 WeakPolarHBondContact CA-O 3.36Å; A433-W661 HydrophobicContact CB-CB 3.83Å; A433-W661 WeakPolarHBondContact CB-O 3.47Å; A433-K663 HydrophobicContact CB-CB 4.19Å; A433-K663 HydrophobicContact CB-CD 4.44Å; A433-K663 HydrophobicContact CB-CG 4.42Å
434	S	92.4	Very high	88	Confident	11 Å²	11	40.6 Å²	40.6	8%	0.077	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	140.8	170	-62.8	0	0	0	0	111	R657 S658 W661 L662 K663	S434-R657 WeakPolarHBondContact OG-CG 3.49Å; S434-S658 PolarHBondContact OG-O 3.25Å; S434-W661 PolarHBondContact N-O 3.21Å; S434-L662 CarbonylContact O-C 3.54Å; S434-L662 WeakPolarHBondContact O-CA 3.39Å; S434-K663 PolarHBondContact O-N 2.95Å
435	P	91.2	Very high	87.4	Confident	49 Å²	49	45.6 Å²	45.6	32%	0.318	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	149.9	173.6	31.1	-33.9	0	0	0	111.3	Y668	P435-Y668 HydrophobicContact CB-CE2 3.89Å
436	T	88	Confident	86.8	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	150.2	167.9	178.9	0	0	0	0	109.2	E441 I442 I643 L662 K663 L664 Y668	T436-E441 WeakPolarHBondContact CA-OE2 3.33Å; T436-E441 WeakPolarHBondContact CB-OE2 3.11Å; T436-E441 VanDerWaalsContact OG1-CD 3.28Å; T436-E441 PolarHBondContact OG1-OE2 3.05Å; T436-I442 HydrophobicContact CG2-CD1 3.93Å; T436-I442 HydrophobicContact CG2-CG1 3.74Å; T436-I643 HydrophobicContact CG2-CD1 4.44Å; T436-L662 HydrophobicContact CG2-CB 3.89Å; T436-L662 HydrophobicContact CG2-CD1 4.37Å; T436-K663 PolarHBondContact N-O 3.09Å; T436-K663 VanDerWaalsContact N-O 3.09Å; T436-L664 HydrophobicContact CG2-CB 3.98Å; T436-L664 HydrophobicContact CG2-CD1 4.35Å; T436-Y668 WeakPolarHBondContact O-CD2 3.48Å
437	H	83.2	Confident	85.8	Confident	116 Å²	116	51.6 Å²	51.6	54%	0.537	24%	0.242	S	C	.	.			trans	-103.1	-6.5	-170.6	-66	-75.2	0	0	0	114.7	E441 Y668	H437-E441 PolarHBondContact N-OE2 3.04Å; H437-Y668 AromaticContact CE1-CD1 3.82Å; H437-Y668 AromaticContact ND1-CD1 3.75Å; H437-Y668 AromaticContact ND1-CG 3.77Å
438	G	78.1	Confident	84.9	Confident	20 Å²	20	59.2 Å²	59.2	21%	0.206	28%	0.278	C	S	.	.			trans	-174.4	165.3	177.2	0	0	0	0	0	114	Y440 E441 I442	G438-Y440 VanDerWaalsContact C-N 3.28Å; G438-Y440 PolarHBondContact O-N 2.91Å; G438-E441 PolarHBondContact O-N 3.33Å; G438-I442 PolarHBondContact O-N 3.26Å
439	I	78.9	Confident	84.5	Confident	29 Å²	29	60.6 Å²	60.6	15%	0.149	29%	0.288	C	S	.	.	H	α-helix	trans	-60.4	-38.3	-178.2	-58.1	173.5	0	0	0	111.3	E441 I442 L443 T623 I626 A627 L664	I439-E441 VanDerWaalsContact C-N 3.32Å; I439-E441 PolarHBondContact O-N 2.76Å; I439-I442 WeakPolarHBondContact O-CB 3.48Å; I439-I442 PolarHBondContact O-N 3.32Å; I439-I442 VanDerWaalsContact O-N 3.16Å; I439-L443 PolarHBondContact O-N 3.44Å; I439-L443 VanDerWaalsContact O-N 3.09Å; I439-T623 HydrophobicContact CG2-CG2 4.03Å; I439-I626 HydrophobicContact CD1-CB 4.49Å; I439-I626 HydrophobicContact CD1-CG2 4Å; I439-I626 HydrophobicContact CG1-CG2 4.03Å; I439-I626 HydrophobicContact CG2-CB 4.23Å; I439-I626 HydrophobicContact CG2-CD1 4.33Å; I439-I626 HydrophobicContact CG2-CG2 3.97Å; I439-A627 HydrophobicContact CD1-CB 3.69Å; I439-L664 HydrophobicContact CG1-CD2 4.08Å
440	Y	76.2	Confident	84.6	Confident	187 Å²	187	63.3 Å²	63.3	73%	0.733	30%	0.304	S	S	*	.	H	α-helix	trans	-63.4	-36.3	178.2	-167.7	-90.2	0	0	0	113.1	G438 I442 L443 K444	G438-Y440 VanDerWaalsContact C-N 3.28Å; G438-Y440 PolarHBondContact O-N 2.91Å; Y440-I442 VanDerWaalsContact C-N 3.32Å; Y440-L443 PolarHBondContact O-N 3.07Å; Y440-K444 WeakPolarHBondContact O-CB 3.48Å; Y440-K444 PolarHBondContact O-N 3.03Å
441	E	82	Confident	84.8	Confident	88 Å²	88	63.4 Å²	63.4	41%	0.411	30%	0.304	S	S	.	.	H	α-helix	trans	-67.3	-36.7	176.3	-173.6	-173.9	-169.6	0	0	111.1	T436 H437 G438 I439 R445	T436-E441 WeakPolarHBondContact CA-OE2 3.33Å; T436-E441 WeakPolarHBondContact CB-OE2 3.11Å; T436-E441 VanDerWaalsContact OG1-CD 3.28Å; T436-E441 PolarHBondContact OG1-OE2 3.05Å; H437-E441 PolarHBondContact N-OE2 3.04Å; G438-E441 PolarHBondContact O-N 3.33Å; I439-E441 VanDerWaalsContact C-N 3.32Å; I439-E441 PolarHBondContact O-N 2.76Å; E441-R445 WeakPolarHBondContact O-CB 3.49Å; E441-R445 PolarHBondContact O-N 2.84Å
442	I	83.8	Confident	84.9	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-60.3	-51.9	174.5	-67.6	156.7	0	0	0	110.3	T436 G438 I439 Y440 K444 R445 F446 F451 I643 L662 L664	T436-I442 HydrophobicContact CG2-CD1 3.93Å; T436-I442 HydrophobicContact CG2-CG1 3.74Å; G438-I442 PolarHBondContact O-N 3.26Å; I439-I442 WeakPolarHBondContact O-CB 3.48Å; I439-I442 PolarHBondContact O-N 3.32Å; I439-I442 VanDerWaalsContact O-N 3.16Å; Y440-I442 VanDerWaalsContact C-N 3.32Å; I442-K444 PolarHBondContact O-N 3.03Å; I442-R445 PolarHBondContact O-N 3.12Å; I442-R445 VanDerWaalsContact O-N 3.1Å; I442-F446 HydrophobicContact CG2-CD2 4.19Å; I442-F446 PolarHBondContact O-N 2.69Å; I442-F451 HydrophobicContact CG2-CE2 4.26Å; I442-F451 HydrophobicContact CG2-CZ 4.24Å; I442-I643 HydrophobicContact CD1-CD1 3.56Å; I442-I643 HydrophobicContact CD1-CG1 3.75Å; I442-I643 HydrophobicContact CG1-CD1 4.19Å; I442-I643 HydrophobicContact CG1-CG1 4.23Å; I442-I643 HydrophobicContact CG2-CB 4.4Å; I442-I643 HydrophobicContact CG2-CG1 4.27Å; I442-I643 HydrophobicContact CG2-CG2 3.76Å; I442-L662 HydrophobicContact CG1-CD1 4.1Å; I442-L664 HydrophobicContact CD1-CB 4.25Å; I442-L664 HydrophobicContact CD1-CD2 3.94Å
443	L	78.2	Confident	85.2	Confident	45 Å²	45	61.3 Å²	61.3	24%	0.236	29%	0.293	C	S	.	.	H	α-helix	trans	-61.8	-43.1	-179.9	-67.6	-170	0	0	0	112.5	I439 Y440 R445 E447 F451 S621 T623 I626	I439-L443 PolarHBondContact O-N 3.44Å; I439-L443 VanDerWaalsContact O-N 3.09Å; Y440-L443 PolarHBondContact O-N 3.07Å; L443-R445 VanDerWaalsContact C-N 3.26Å; L443-R445 PolarHBondContact O-N 3.37Å; L443-E447 WeakPolarHBondContact O-CA 3.41Å; L443-E447 PolarHBondContact O-N 3.5Å; L443-F451 HydrophobicContact CD2-CE1 4.01Å; L443-F451 HydrophobicContact CD2-CZ 3.72Å; L443-S621 WeakPolarHBondContact CD2-O 3.43Å; L443-T623 HydrophobicContact CD1-CG2 3.35Å; L443-T623 HydrophobicContact CG-CG2 4.43Å; L443-I626 HydrophobicContact CD2-CD1 4.44Å
444	K	80.4	Confident	85.4	Confident	151 Å²	151	61.1 Å²	61.1	66%	0.657	29%	0.29	S	S	*	.	H	α-helix	trans	-62.4	-34.8	175.3	-175.9	179.2	179.4	-179.2	0	112.2	Y440 I442	Y440-K444 WeakPolarHBondContact O-CB 3.48Å; Y440-K444 PolarHBondContact O-N 3.03Å; I442-K444 PolarHBondContact O-N 3.03Å
445	R	82.7	Confident	85.7	Confident	126 Å²	126	62.1 Å²	62.1	48%	0.475	29%	0.292	S	S	.	.	H	α-helix	trans	-78.7	-36.9	-176.9	-173.6	65.1	179.5	102.3	-10.3	112.5	E441 I442 L443 H659 L662	E441-R445 WeakPolarHBondContact O-CB 3.49Å; E441-R445 PolarHBondContact O-N 2.84Å; I442-R445 PolarHBondContact O-N 3.12Å; I442-R445 VanDerWaalsContact O-N 3.1Å; L443-R445 VanDerWaalsContact C-N 3.26Å; L443-R445 PolarHBondContact O-N 3.37Å; R445-H659 VanDerWaalsContact NH2-CB 3.26Å; R445-L662 HydrophobicContact CB-CD1 4.36Å; R445-L662 HydrophobicContact CG-CD1 4.25Å
446	F	83.9	Confident	85.9	Confident	8 Å²	8	61.4 Å²	61.4	4%	0.035	28%	0.284	C	S	.	.	S	Bend	trans	-105.4	21.4	-176.8	-64.5	-14.1	0	0	0	112.6	I442 E448 C449 F451 I643 T645 H659 L662	I442-F446 HydrophobicContact CG2-CD2 4.19Å; I442-F446 PolarHBondContact O-N 2.69Å; F446-E448 PolarHBondContact O-N 3.5Å; F446-C449 HydrophobicContact CB-CB 4.44Å; F446-C449 WeakPolarHBondContact O-CB 3.09Å; F446-C449 PolarHBondContact O-N 3.29Å; F446-F451 HydrophobicContact CB-CD1 3.72Å; F446-F451 HydrophobicContact CB-CE1 4.19Å; F446-F451 HydrophobicContact CB-CG 4.44Å; F446-F451 HydrophobicContact CD2-CB 3.77Å; F446-F451 AromaticContact CD2-CD1 3.92Å; F446-F451 HydrophobicContact CD2-CD1 3.92Å; F446-F451 HydrophobicContact CD2-CD2 4.43Å; F446-F451 AromaticContact CD2-CG 3.8Å; F446-F451 HydrophobicContact CD2-CG 3.8Å; F446-F451 HydrophobicContact CE2-CB 4.31Å; F446-F451 HydrophobicContact CG-CD1 4.32Å; F446-I643 HydrophobicContact CD2-CG2 3.85Å; F446-I643 HydrophobicContact CE2-CB 4.12Å; F446-I643 HydrophobicContact CE2-CG2 3.54Å; F446-T645 HydrophobicContact CD1-CG2 3.8Å; F446-T645 HydrophobicContact CD2-CG2 4.21Å; F446-T645 HydrophobicContact CE1-CG2 3.66Å; F446-T645 HydrophobicContact CE2-CG2 4.06Å; F446-T645 HydrophobicContact CG-CG2 4.09Å; F446-T645 HydrophobicContact CZ-CG2 3.78Å; F446-H659 VanDerWaalsContact CE1-O 3.31Å; F446-H659 WeakPolarHBondContact CE1-O 3.41Å; F446-L662 HydrophobicContact CE1-CD1 4.13Å; F446-L662 HydrophobicContact CE1-CG 4.27Å; F446-L662 HydrophobicContact CE2-CD1 4.05Å; F446-L662 HydrophobicContact CE2-CG 4.21Å; F446-L662 HydrophobicContact CZ-CD1 3.76Å; F446-L662 HydrophobicContact CZ-CG 3.67Å
447	E	73.4	Confident	86.3	Confident	144 Å²	144	62 Å²	62	67%	0.673	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	132.5	172.8	-160	169.4	-171.1	0	0	109.5	L443 C449	L443-E447 WeakPolarHBondContact O-CA 3.41Å; L443-E447 PolarHBondContact O-N 3.5Å; E447-C449 PolarHBondContact O-N 2.87Å
448	E	78	Confident	86.7	Confident	161 Å²	161	57.2 Å²	57.2	75%	0.752	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	62	14.3	-175.2	-45.5	-174.3	162.2	0	0	116.9	F446 R648	F446-E448 PolarHBondContact O-N 3.5Å; E448-R648 PolarHBondContact O-NH1 3.09Å; E448-R648 IonicContact OE2-NH1 3.6Å
449	C	85.1	Confident	87.5	Confident	32 Å²	32	56.9 Å²	56.9	22%	0.216	26%	0.261	C	S	.	.			trans	-117.4	130.7	175.3	-60.7	0	0	0	0	110.7	F446 E447 F451	F446-C449 HydrophobicContact CB-CB 4.44Å; F446-C449 WeakPolarHBondContact O-CB 3.09Å; F446-C449 PolarHBondContact O-N 3.29Å; E447-C449 PolarHBondContact O-N 2.87Å; C449-F451 WeakPolarHBondContact O-CD1 3.34Å; C449-F451 PolarHBondContact O-N 2.61Å
450	D	91.9	Very high	88.3	Confident	98 Å²	98	57.4 Å²	57.4	52%	0.524	26%	0.263	S	S	.	.			trans	-64	131.2	165	-69.7	-7	0	0	0	109	R595 L646	D450-R595 IonicContact OD2-CZ 3.27Å; D450-R595 IonicContact OD2-NH2 3.25Å; D450-R595 PolarHBondContact OD2-NH2 2.66Å; D450-L646 HydrophobicContact CB-CB 4.26Å; D450-L646 HydrophobicContact CB-CD1 4.27Å; D450-L646 PolarHBondContact O-N 3.27Å
451	F	94.7	Very high	89.3	Confident	12 Å²	12	50.5 Å²	50.5	5%	0.053	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	162.3	177.5	66.9	-98.1	0	0	0	111.6	I442 L443 F446 C449 S620 I626 I643 K644	I442-F451 HydrophobicContact CG2-CE2 4.26Å; I442-F451 HydrophobicContact CG2-CZ 4.24Å; L443-F451 HydrophobicContact CD2-CE1 4.01Å; L443-F451 HydrophobicContact CD2-CZ 3.72Å; F446-F451 HydrophobicContact CB-CD1 3.72Å; F446-F451 HydrophobicContact CB-CE1 4.19Å; F446-F451 HydrophobicContact CB-CG 4.44Å; F446-F451 HydrophobicContact CD2-CB 3.77Å; F446-F451 AromaticContact CD2-CD1 3.92Å; F446-F451 HydrophobicContact CD2-CD1 3.92Å; F446-F451 HydrophobicContact CD2-CD2 4.43Å; F446-F451 AromaticContact CD2-CG 3.8Å; F446-F451 HydrophobicContact CD2-CG 3.8Å; F446-F451 HydrophobicContact CE2-CB 4.31Å; F446-F451 HydrophobicContact CG-CD1 4.32Å; C449-F451 WeakPolarHBondContact O-CD1 3.34Å; C449-F451 PolarHBondContact O-N 2.61Å; F451-S620 WeakPolarHBondContact CE2-O 3.48Å; F451-S620 WeakPolarHBondContact CZ-O 3.45Å; F451-I626 HydrophobicContact CE2-CD1 3.98Å; F451-I626 HydrophobicContact CZ-CD1 3.98Å; F451-I643 HydrophobicContact CB-CG2 4.36Å; F451-I643 HydrophobicContact CD2-CG2 3.44Å; F451-I643 VanDerWaalsContact CD2-CG2 3.44Å; F451-I643 HydrophobicContact CE2-CG2 3.97Å; F451-I643 HydrophobicContact CG-CG2 4.09Å; F451-K644 CarbonylContact C-O 3.4Å; F451-K644 VanDerWaalsContact CA-O 3.23Å; F451-K644 WeakPolarHBondContact CA-O 3.48Å; F451-K644 WeakPolarHBondContact CB-O 3.34Å
452	T	96.7	Very high	90	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	140.4	174.2	-171.7	0	0	0	0	110.6	E454 L594 R598 D619 I643 K644 L646	T452-E454 HydrophobicContact CG2-CG 4.39Å; T452-L594 HydrophobicContact CG2-CD2 4.22Å; T452-R598 VanDerWaalsContact CB-NH1 3.29Å; T452-R598 PolarHBondContact OG1-NH1 3.24Å; T452-D619 WeakPolarHBondContact CB-OD1 3.32Å; T452-D619 PolarHBondContact OG1-OD1 3.36Å; T452-I643 CarbonylContact O-C 3.58Å; T452-I643 WeakPolarHBondContact O-CA 3.48Å; T452-K644 HydrophobicContact CG2-CB 3.98Å; T452-K644 PolarHBondContact N-O 2.86Å; T452-K644 PolarHBondContact O-N 2.94Å; T452-L646 HydrophobicContact CG2-CD2 3.86Å; T452-L646 HydrophobicContact CG2-CG 4.47Å
453	C	96.9	Very high	90.7	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	120.4	167	-69.9	0	0	0	0	108.2	S617 L618 F629 L641 M642	C453-S617 CarbonylContact O-C 3.57Å; C453-S617 WeakPolarHBondContact O-CA 3.3Å; C453-L618 HydrophobicContact CB-CB 4.45Å; C453-L618 PolarHBondContact N-O 2.97Å; C453-L618 PolarHBondContact O-N 3.5Å; C453-F629 HydrophobicContact CB-CD1 4.01Å; C453-F629 HydrophobicContact CB-CE1 4.01Å; C453-F629 VanDerWaalsContact O-CE1 3.27Å; C453-F629 WeakPolarHBondContact O-CE1 3.33Å; C453-L641 HydrophobicContact CB-CD1 4.31Å; C453-M642 CarbonylContact C-O 3.52Å; C453-M642 WeakPolarHBondContact CA-O 3.48Å
454	E	98.1	Very high	91.6	Very high	6 Å²	6	44.6 Å²	44.6	3%	0.028	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	151	173.7	-71.1	174.5	-173.3	0	0	110.5	T452 K456 A615 T616 L641 M642 K644	T452-E454 HydrophobicContact CG2-CG 4.39Å; E454-K456 PolarHBondContact O-N 2.88Å; E454-A615 HydrophobicContact CB-CB 4.48Å; E454-A615 HydrophobicContact CG-CB 4.36Å; E454-T616 CarbonylContact C-O 3.37Å; E454-T616 VanDerWaalsContact CA-O 3.26Å; E454-T616 WeakPolarHBondContact CA-O 3.44Å; E454-L641 CarbonylContact O-C 3.57Å; E454-L641 WeakPolarHBondContact O-CA 3.37Å; E454-M642 HydrophobicContact CB-CB 4.32Å; E454-M642 PolarHBondContact N-O 3.49Å; E454-M642 PolarHBondContact O-N 2.98Å; E454-K644 IonicContact OE1-NZ 2.98Å; E454-K644 VanDerWaalsContact OE2-CE 3.25Å; E454-K644 WeakPolarHBondContact OE2-CE 3.37Å; E454-K644 IonicContact OE2-NZ 2.7Å; E454-K644 PolarHBondContact OE2-NZ 3Å
455	Y	97.7	Very high	92.5	Very high	33 Å²	33	37.4 Å²	37.4	13%	0.129	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	131.3	172.2	-78.1	9.6	0	0	0	110.9	Y457 T616 F629 E632 A633 L641	Y455-Y457 HydrophobicContact CD2-CE1 4.23Å; Y455-Y457 WeakPolarHBondContact O-CD2 3.22Å; Y455-Y457 WeakPolarHBondContact O-CE2 3.2Å; Y455-Y457 PolarHBondContact O-N 3.39Å; Y455-T616 HydrophobicContact CD1-CG2 4.33Å; Y455-T616 HydrophobicContact CD2-CG2 4.24Å; Y455-T616 HydrophobicContact CE1-CG2 4.09Å; Y455-T616 HydrophobicContact CE2-CG2 3.97Å; Y455-T616 HydrophobicContact CG-CG2 4.4Å; Y455-T616 PolarHBondContact N-O 2.66Å; Y455-F629 HydrophobicContact CD1-CD1 4.38Å; Y455-F629 AromaticContact CD1-CE1 3.63Å; Y455-F629 HydrophobicContact CD1-CE1 3.63Å; Y455-F629 HydrophobicContact CD1-CE2 4.02Å; Y455-F629 AromaticContact CD1-CZ 3.42Å; Y455-F629 HydrophobicContact CD1-CZ 3.42Å; Y455-F629 VanDerWaalsContact CD1-CZ 3.42Å; Y455-F629 HydrophobicContact CE1-CD1 4.1Å; Y455-F629 AromaticContact CE1-CD2 3.79Å; Y455-F629 HydrophobicContact CE1-CD2 3.79Å; Y455-F629 AromaticContact CE1-CE1 3.65Å; Y455-F629 HydrophobicContact CE1-CE1 3.65Å; Y455-F629 AromaticContact CE1-CE2 3.31Å; Y455-F629 HydrophobicContact CE1-CE2 3.31Å; Y455-F629 HydrophobicContact CE1-CG 4.17Å; Y455-F629 AromaticContact CE1-CZ 3.23Å; Y455-F629 HydrophobicContact CE1-CZ 3.23Å; Y455-E632 WeakPolarHBondContact OH-CB 3.49Å; Y455-A633 HydrophobicContact CD1-CB 3.53Å; Y455-A633 HydrophobicContact CD2-CB 4.28Å; Y455-A633 HydrophobicContact CE1-CB 3.5Å; Y455-A633 HydrophobicContact CE2-CB 4.28Å; Y455-A633 HydrophobicContact CG-CB 3.94Å; Y455-L641 HydrophobicContact CD1-CD2 3.96Å; Y455-L641 HydrophobicContact CE1-CD2 4.47Å
456	K	96.5	Very high	93.1	Very high	34 Å²	34	31.6 Å²	31.6	15%	0.148	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	89.2	170.3	-169.9	-174.8	-178.1	-54.4	0	109.4	E454 C638 E639 G640 M642 K663 K665	E454-K456 PolarHBondContact O-N 2.88Å; K456-C638 WeakPolarHBondContact O-CB 3.38Å; K456-E639 HydrophobicContact CD-CB 4.16Å; K456-E639 HydrophobicContact CG-CB 4.34Å; K456-E639 IonicContact NZ-OE2 3.13Å; K456-E639 PolarHBondContact NZ-OE2 3Å; K456-E639 PolarHBondContact O-N 2.81Å; K456-G640 VanDerWaalsContact CB-C 3.46Å; K456-G640 VanDerWaalsContact CB-O 3.28Å; K456-G640 WeakPolarHBondContact CB-O 3.31Å; K456-G640 PolarHBondContact N-O 2.85Å; K456-M642 HydrophobicContact CB-CG 3.85Å; K456-M642 HydrophobicContact CB-SD 4.18Å; K456-M642 HydrophobicContact CD-SD 3.85Å; K456-M642 HydrophobicContact CG-CG 3.91Å; K456-M642 HydrophobicContact CG-SD 3.67Å; K456-K663 HydrophobicContact CD-CB 4.39Å; K456-K665 HydrophobicContact CD-CG 4.18Å
457	Y	96.3	Very high	93.7	Very high	12 Å²	12	32.8 Å²	32.8	5%	0.047	16%	0.161	C	C	.	.			trans	-60.3	145.9	177.6	-57.9	-69.7	0	0	0	113.4	Y455 E540 V542 I551 Y577 A615 T616	Y455-Y457 HydrophobicContact CD2-CE1 4.23Å; Y455-Y457 WeakPolarHBondContact O-CD2 3.22Å; Y455-Y457 WeakPolarHBondContact O-CE2 3.2Å; Y455-Y457 PolarHBondContact O-N 3.39Å; Y457-E540 HydrophobicContact CD2-CB 4.34Å; Y457-V542 HydrophobicContact CG-CG1 4.48Å; Y457-I551 HydrophobicContact CD1-CD1 3.67Å; Y457-I551 HydrophobicContact CE1-CD1 3.98Å; Y457-Y577 AromaticContact CD1-CD2 3.77Å; Y457-Y577 HydrophobicContact CD1-CD2 3.77Å; Y457-Y577 AromaticContact CD1-CE2 3.89Å; Y457-Y577 HydrophobicContact CD1-CE2 3.89Å; Y457-Y577 HydrophobicContact CD1-CG 4.14Å; Y457-Y577 HydrophobicContact CD2-CD2 4.34Å; Y457-Y577 HydrophobicContact CD2-CG 4.09Å; Y457-Y577 AromaticContact CE1-CD1 3.77Å; Y457-Y577 HydrophobicContact CE1-CD1 3.77Å; Y457-Y577 AromaticContact CE1-CD2 3.67Å; Y457-Y577 HydrophobicContact CE1-CD2 3.67Å; Y457-Y577 AromaticContact CE1-CE1 3.74Å; Y457-Y577 HydrophobicContact CE1-CE1 3.74Å; Y457-Y577 AromaticContact CE1-CE2 3.64Å; Y457-Y577 HydrophobicContact CE1-CE2 3.64Å; Y457-Y577 AromaticContact CE1-CG 3.71Å; Y457-Y577 HydrophobicContact CE1-CG 3.71Å; Y457-Y577 AromaticContact CE1-CZ 3.65Å; Y457-Y577 AromaticContact CE2-CD1 3.93Å; Y457-Y577 HydrophobicContact CE2-CD1 3.93Å; Y457-Y577 HydrophobicContact CE2-CD2 4.27Å; Y457-Y577 AromaticContact CE2-CG 3.67Å; Y457-Y577 HydrophobicContact CE2-CG 3.67Å; Y457-Y577 HydrophobicContact CG-CD2 4.11Å; Y457-Y577 HydrophobicContact CG-CG 4.31Å; Y457-Y577 AromaticContact CZ-CD1 3.35Å; Y457-Y577 AromaticContact CZ-CD2 3.93Å; Y457-Y577 AromaticContact CZ-CE1 3.7Å; Y457-Y577 AromaticContact CZ-CG 3.45Å; Y457-Y577 VanDerWaalsContact CZ-CG 3.45Å; Y457-Y577 WeakPolarHBondContact OH-CD1 3.38Å; Y457-Y577 WeakPolarHBondContact OH-CE1 3.38Å; Y457-A615 HydrophobicContact CE2-CB 3.94Å; Y457-A615 WeakPolarHBondContact OH-CA 3.48Å; Y457-T616 PolarHBondContact OH-N 3.44Å; Y457-T616 PolarHBondContact OH-OG1 3.32Å
458	D	92	Very high	94.5	Very high	16 Å²	16	30.7 Å²	30.7	9%	0.086	16%	0.159	C	C	.	.	S	Bend	trans	-95.8	72.9	172.7	-167.5	11.5	0	0	0	109.9	E639 R790	D458-E639 HydrophobicContact CB-CG 3.6Å; D458-R790 IonicContact OD2-NH1 3.68Å; D458-R790 PolarHBondContact OD2-NH1 3.31Å
459	G	94.6	Very high	95.1	Very high	13 Å²	13	27.6 Å²	27.6	13%	0.134	16%	0.156	C	C	.	.	S	Bend	trans	-132.3	-158.8	-172.2	0	0	0	0	0	114.3	E540 V541 F554	G459-E540 VanDerWaalsContact CA-OE1 3.28Å; G459-E540 WeakPolarHBondContact CA-OE1 3.37Å; G459-E540 PolarHBondContact N-OE1 3.1Å; G459-V541 CarbonylContact C-O 3.5Å; G459-V541 WeakPolarHBondContact CA-O 3.17Å; G459-F554 WeakPolarHBondContact O-CE2 3.33Å
460	E	95.7	Very high	95.3	Very high	40 Å²	40	28.3 Å²	28.3	19%	0.187	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	120.5	164.8	-66.6	-171.6	169.9	0	0	110.7	A462 K485 Y486 E540 V541 F554 L557	E460-A462 PolarHBondContact O-N 3.46Å; E460-K485 IonicContact OE1-NZ 2.93Å; E460-K485 PolarHBondContact OE1-NZ 2.84Å; E460-K485 IonicContact OE2-NZ 2.63Å; E460-K485 PolarHBondContact OE2-NZ 2.86Å; E460-Y486 PolarHBondContact OE2-OH 2.95Å; E460-E540 VanDerWaalsContact C-OE1 3.32Å; E460-E540 PolarHBondContact N-OE1 3.41Å; E460-V541 PolarHBondContact N-O 3.08Å; E460-V541 PolarHBondContact O-N 2.85Å; E460-F554 HydrophobicContact CG-CE2 3.72Å; E460-F554 HydrophobicContact CG-CZ 4.29Å; E460-L557 HydrophobicContact CB-CD2 4.23Å; E460-L557 HydrophobicContact CG-CD2 3.84Å
461	R	96.4	Very high	95.3	Very high	41 Å²	41	25.5 Å²	25.5	16%	0.155	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	129.1	170.5	-166.8	168.3	-172.4	166	-3.3	111.9	P430 M431 R477 D538 S539 E540 Y652	P430-R461 VanDerWaalsContact CB-NH2 3.3Å; M431-R461 PolarHBondContact O-NH1 3.33Å; M431-R461 PolarHBondContact O-NH2 3.48Å; R461-R477 HydrophobicContact CB-CB 4.38Å; R461-D538 IonicContact CZ-OD1 3.4Å; R461-D538 IonicContact CZ-OD2 2.9Å; R461-D538 IonicContact NE-OD1 3.25Å; R461-D538 PolarHBondContact NE-OD1 3.02Å; R461-D538 IonicContact NE-OD2 3.88Å; R461-D538 PolarHBondContact NE-OD2 3.38Å; R461-D538 IonicContact NH2-OD1 2.74Å; R461-D538 IonicContact NH2-OD2 3.44Å; R461-D538 PolarHBondContact NH2-OD2 3.37Å; R461-S539 WeakPolarHBondContact CA-O 3.42Å; R461-E540 VanDerWaalsContact CA-OE2 3.3Å; R461-E540 WeakPolarHBondContact CA-OE2 3.31Å; R461-E540 PolarHBondContact N-OE1 2.93Å; R461-E540 PolarHBondContact N-OE2 3.43Å; R461-Y652 PolarHBondContact NH2-OH 2.66Å
462	A	97.4	Very high	95.4	Very high	2 Å²	2	25.5 Å²	25.5	2%	0.017	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	116.6	-179.1	0	0	0	0	0	110.1	E460 I464 V474 Y475 S539 V541	E460-A462 PolarHBondContact O-N 3.46Å; A462-I464 HydrophobicContact CB-CG1 4.48Å; A462-V474 HydrophobicContact CB-CG1 3.81Å; A462-Y475 WeakPolarHBondContact CA-O 3.31Å; A462-S539 PolarHBondContact N-O 2.91Å; A462-S539 PolarHBondContact O-N 3.27Å; A462-S539 PolarHBondContact O-OG 3Å; A462-V541 HydrophobicContact CB-CG2 3.56Å
463	Q	97.9	Very high	95.4	Very high	7 Å²	7	27.9 Å²	27.9	3%	0.033	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	112.7	168.2	-169.2	175.5	100.8	0	0	108.1	P427 L428 H465 Y475 I536 I537	P427-Q463 VanDerWaalsContact CA-OE1 3.29Å; L428-Q463 PolarHBondContact O-NE2 2.73Å; Q463-H465 PolarHBondContact OE1-NE2 2.77Å; Q463-Y475 PolarHBondContact N-O 3.28Å; Q463-Y475 PolarHBondContact O-N 3.09Å; Q463-I536 HydrophobicContact CG-CG2 3.71Å; Q463-I537 CarbonylContact C-O 3.47Å; Q463-I537 WeakPolarHBondContact CA-O 3.45Å
464	I	97.9	Very high	95.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	124.2	-173.9	-53.9	171.4	0	0	0	108.5	A462 I466 H473 V474 I489 M494 I536 I537 I576	A462-I464 HydrophobicContact CB-CG1 4.48Å; I464-I466 HydrophobicContact CG2-CD1 4.13Å; I464-H473 CarbonylContact C-O 3.4Å; I464-H473 WeakPolarHBondContact CA-O 3.48Å; I464-V474 HydrophobicContact CG1-CG2 4.43Å; I464-I489 HydrophobicContact CD1-CG2 4.49Å; I464-M494 HydrophobicContact CG2-SD 4.46Å; I464-I536 WeakPolarHBondContact O-CA 3.11Å; I464-I537 HydrophobicContact CB-CD1 4.06Å; I464-I537 HydrophobicContact CB-CG1 3.67Å; I464-I537 HydrophobicContact CD1-CD1 4.22Å; I464-I537 HydrophobicContact CD1-CG1 4.48Å; I464-I537 HydrophobicContact CG1-CG1 4.42Å; I464-I537 HydrophobicContact CG2-CD1 4.46Å; I464-I537 HydrophobicContact CG2-CG1 4.44Å; I464-I537 PolarHBondContact N-O 3.06Å; I464-I537 PolarHBondContact O-N 2.89Å; I464-I576 HydrophobicContact CD1-CD1 3.73Å; I464-I576 HydrophobicContact CD1-CG2 4.09Å
465	H	98	Very high	95.4	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	130.7	178.9	-67.9	-129.2	0	0	0	109.2	G425 I426 Q463 L467 S472 H473 Y475 C535	G425-H465 PolarHBondContact N-ND1 2.99Å; I426-H465 PolarHBondContact O-CE1 2.98Å; I426-H465 VanDerWaalsContact O-CE1 3.32Å; Q463-H465 PolarHBondContact OE1-NE2 2.77Å; H465-L467 HydrophobicContact CB-CD1 4.14Å; H465-S472 CarbonylContact O-C 3.55Å; H465-S472 VanDerWaalsContact O-CA 3.27Å; H465-S472 WeakPolarHBondContact O-CA 3.25Å; H465-H473 HydrophobicContact CB-CB 4.46Å; H465-H473 PolarHBondContact N-O 3.41Å; H465-H473 PolarHBondContact O-N 2.9Å; H465-Y475 HydrophobicContact CB-CE2 4.12Å; H465-Y475 AromaticContact CD2-CD2 3.34Å; H465-Y475 WeakPolarHBondContact CD2-CD2 3.3Å; H465-Y475 AromaticContact CD2-CE2 3.54Å; H465-Y475 AromaticContact CG-CD2 4Å; H465-Y475 AromaticContact CG-CE2 3.7Å; H465-Y475 AromaticContact NE2-CD2 3.56Å; H465-Y475 AromaticContact NE2-CE2 3.9Å; H465-C535 WeakPolarHBondContact CA-O 3.43Å
466	I	96.5	Very high	95.3	Very high	4 Å²	4	27.3 Å²	27.3	2%	0.021	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	119.6	170.3	-50.2	-56.7	0	0	0	107.1	I464 M494 L498 S534 C535	I464-I466 HydrophobicContact CG2-CD1 4.13Å; I466-M494 HydrophobicContact CD1-CE 3.67Å; I466-M494 HydrophobicContact CD1-CG 4.49Å; I466-M494 HydrophobicContact CG1-CE 4.38Å; I466-L498 HydrophobicContact CD1-CD1 4.27Å; I466-L498 HydrophobicContact CD1-CD2 4.2Å; I466-L498 HydrophobicContact CG1-CD2 4.05Å; I466-L498 HydrophobicContact CG2-CD1 4.11Å; I466-L498 HydrophobicContact CG2-CD2 4.11Å; I466-S534 WeakPolarHBondContact O-CA 3.49Å; I466-S534 VanDerWaalsContact O-CB 3.25Å; I466-S534 WeakPolarHBondContact O-CB 3.25Å; I466-C535 WeakPolarHBondContact CG1-SG 3.42Å; I466-C535 PolarHBondContact N-O 3.06Å; I466-C535 PolarHBondContact O-N 2.88Å
467	L	95.5	Very high	95.1	Very high	34 Å²	34	32.5 Å²	32.5	18%	0.178	19%	0.19	C	C	.	.			trans	-88.9	157.8	-179.7	-82	62.8	0	0	0	110.1	P424 H465 S469 G470 A471 E533	P424-L467 HydrophobicContact CB-CD1 4.2Å; P424-L467 HydrophobicContact CB-CG 4.32Å; H465-L467 HydrophobicContact CB-CD1 4.14Å; L467-S469 PolarHBondContact O-N 3.17Å; L467-G470 WeakPolarHBondContact O-CA 3.43Å; L467-G470 PolarHBondContact O-N 3.42Å; L467-A471 PolarHBondContact N-O 3.27Å; L467-E533 CarbonylContact C-O 3.55Å
468	P	91.5	Very high	94.8	Very high	99 Å²	99	35.6 Å²	35.6	64%	0.643	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-23.9	174.2	-27.2	35.5	0	0	0	114.7	G470 E533	P468-G470 PolarHBondContact O-N 3.17Å; P468-E533 WeakPolarHBondContact CA-O 3.16Å
469	S	90.6	Very high	94.9	Very high	96 Å²	96	35.3 Å²	35.3	67%	0.671	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-9.2	173.9	58.4	0	0	0	0	114.1	L467 A471	L467-S469 PolarHBondContact O-N 3.17Å; S469-A471 VanDerWaalsContact C-N 3.3Å; S469-A471 WeakPolarHBondContact OG-CB 3.44Å; S469-A471 PolarHBondContact OG-N 2.75Å
470	G	87.7	Confident	94.9	Very high	47 Å²	47	38.1 Å²	38.1	49%	0.485	22%	0.215	S	C	.	.	S	Bend	trans	84.7	-3.5	-169.9	0	0	0	0	0	114.2	L467 P468	L467-G470 WeakPolarHBondContact O-CA 3.43Å; L467-G470 PolarHBondContact O-N 3.42Å; P468-G470 PolarHBondContact O-N 3.17Å
471	A	93.2	Very high	94.9	Very high	39 Å²	39	38.8 Å²	38.8	32%	0.322	22%	0.22	S	C	.	.			trans	-68.6	141.1	176.4	0	0	0	0	0	111.1	L467 S469	L467-A471 PolarHBondContact N-O 3.27Å; S469-A471 VanDerWaalsContact C-N 3.3Å; S469-A471 WeakPolarHBondContact OG-CB 3.44Å; S469-A471 PolarHBondContact OG-N 2.75Å
472	S	95.9	Very high	94.8	Very high	13 Å²	13	37.8 Å²	37.8	9%	0.091	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	138.2	175.2	61	0	0	0	0	111.3	H465 V490	H465-S472 CarbonylContact O-C 3.55Å; H465-S472 VanDerWaalsContact O-CA 3.27Å; H465-S472 WeakPolarHBondContact O-CA 3.25Å; S472-V490 VanDerWaalsContact OG-CA 3.27Å; S472-V490 WeakPolarHBondContact OG-CA 3.3Å; S472-V490 WeakPolarHBondContact OG-CB 3.32Å; S472-V490 VanDerWaalsContact OG-CG1 3.31Å; S472-V490 WeakPolarHBondContact OG-CG1 3.09Å; S472-V490 PolarHBondContact OG-O 3.46Å
473	H	96.9	Very high	94.6	Very high	50 Å²	50	38.7 Å²	38.7	23%	0.231	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	144.8	177.3	-70.6	-89.5	0	0	0	110.4	I464 H465 Y475 T483	I464-H473 CarbonylContact C-O 3.4Å; I464-H473 WeakPolarHBondContact CA-O 3.48Å; H465-H473 HydrophobicContact CB-CB 4.46Å; H465-H473 PolarHBondContact N-O 3.41Å; H465-H473 PolarHBondContact O-N 2.9Å; H473-Y475 HydrophobicContact CB-CD2 4.42Å; H473-Y475 HydrophobicContact CB-CE2 3.57Å; H473-T483 WeakPolarHBondContact CA-OG1 3.39Å; H473-T483 PolarHBondContact ND1-OG1 3.07Å
474	V	97.3	Very high	94.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	116.8	-179.6	-176.5	0	0	0	0	109.1	A462 I464 N482 T483 Y486 I489 V490	A462-V474 HydrophobicContact CB-CG1 3.81Å; I464-V474 HydrophobicContact CG1-CG2 4.43Å; V474-N482 HydrophobicContact CG1-CB 4.37Å; V474-N482 CarbonylContact O-C 3.56Å; V474-N482 VanDerWaalsContact O-CA 3.31Å; V474-N482 WeakPolarHBondContact O-CA 3.26Å; V474-N482 WeakPolarHBondContact O-CB 3.22Å; V474-N482 PolarHBondContact O-N 2.87Å; V474-T483 PolarHBondContact N-OG1 2.76Å; V474-T483 PolarHBondContact O-N 2.93Å; V474-Y486 HydrophobicContact CG1-CD2 3.99Å; V474-I489 HydrophobicContact CG2-CB 4.39Å; V474-I489 HydrophobicContact CG2-CD1 4.42Å; V474-I489 HydrophobicContact CG2-CG2 3.97Å; V474-V490 HydrophobicContact CG2-CG1 3.83Å
475	Y	97.5	Very high	94.1	Very high	9 Å²	9	42.1 Å²	42.1	4%	0.035	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	141.7	178.3	-57.8	-79.1	0	0	0	111.7	G425 P427 A462 Q463 H465 H473 E480 D481	G425-Y475 PolarHBondContact O-OH 3.33Å; G425-Y475 VanDerWaalsContact O-OH 3.05Å; P427-Y475 HydrophobicContact CB-CD1 3.99Å; P427-Y475 HydrophobicContact CB-CD2 3.76Å; P427-Y475 HydrophobicContact CB-CE2 4.43Å; P427-Y475 HydrophobicContact CB-CG 3.5Å; P427-Y475 HydrophobicContact CG-CD1 3.58Å; P427-Y475 HydrophobicContact CG-CD2 4.14Å; P427-Y475 HydrophobicContact CG-CE1 4.01Å; P427-Y475 HydrophobicContact CG-CE2 4.5Å; P427-Y475 HydrophobicContact CG-CG 3.66Å; A462-Y475 WeakPolarHBondContact CA-O 3.31Å; Q463-Y475 PolarHBondContact N-O 3.28Å; Q463-Y475 PolarHBondContact O-N 3.09Å; H465-Y475 HydrophobicContact CB-CE2 4.12Å; H465-Y475 AromaticContact CD2-CD2 3.34Å; H465-Y475 WeakPolarHBondContact CD2-CD2 3.3Å; H465-Y475 AromaticContact CD2-CE2 3.54Å; H465-Y475 AromaticContact CG-CD2 4Å; H465-Y475 AromaticContact CG-CE2 3.7Å; H465-Y475 AromaticContact NE2-CD2 3.56Å; H465-Y475 AromaticContact NE2-CE2 3.9Å; H473-Y475 HydrophobicContact CB-CD2 4.42Å; H473-Y475 HydrophobicContact CB-CE2 3.57Å; Y475-E480 WeakPolarHBondContact CA-O 3.14Å; Y475-D481 HydrophobicContact CD1-CB 4.08Å; Y475-D481 HydrophobicContact CE1-CB 3.95Å
476	S	95.2	Very high	93.9	Very high	17 Å²	17	42.1 Å²	42.1	12%	0.119	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	170.8	175.8	70.4	0	0	0	0	112.5	N478 Q479 E480	S476-N478 PolarHBondContact O-N 2.91Å; S476-N478 PolarHBondContact OG-N 3.06Å; S476-Q479 WeakPolarHBondContact O-CA 3.35Å; S476-Q479 PolarHBondContact O-N 3.49Å; S476-E480 PolarHBondContact N-O 3.38Å; S476-E480 VanDerWaalsContact OG-CB 3.3Å; S476-E480 WeakPolarHBondContact OG-CB 3.19Å; S476-E480 PolarHBondContact OG-N 3.45Å; S476-E480 PolarHBondContact OG-O 2.96Å
477	R	92.9	Very high	93.7	Very high	143 Å²	143	42.5 Å²	42.5	54%	0.54	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.5	-32.7	167.9	-175.8	177.5	178.1	177.3	-5.3	114.8	P430 L432 R461 Q479	P430-R477 WeakPolarHBondContact CD-O 3.3Å; P430-R477 HydrophobicContact CG-CB 4.41Å; P430-R477 HydrophobicContact CG-CG 3.7Å; P430-R477 WeakPolarHBondContact CG-O 3.44Å; L432-R477 VanDerWaalsContact CD2-NH2 3.32Å; R461-R477 HydrophobicContact CB-CB 4.38Å; R477-Q479 VanDerWaalsContact C-N 3.32Å
478	N	91.1	Very high	93.5	Very high	78 Å²	78	42.1 Å²	42.1	42%	0.417	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	11.8	-178.9	-69.3	-21.9	0	0	0	113	R44 S476 E480	R44-N478 PolarHBondContact NH2-ND2 3.27Å; S476-N478 PolarHBondContact O-N 2.91Å; S476-N478 PolarHBondContact OG-N 3.06Å; N478-E480 HydrophobicContact CB-CG 4.17Å; N478-E480 PolarHBondContact O-N 2.95Å
479	Q	93.6	Very high	93.6	Very high	10 Å²	10	37.4 Å²	37.4	5%	0.047	21%	0.214	C	C	.	.	S	Bend	trans	65.3	15.3	-174.3	-54.3	153.4	112.5	0	0	113.4	A229 Y230 P427 K429 S476 R477	A229-Q479 CarbonylContact C-O 3.56Å; A229-Q479 HydrophobicContact CB-CB 4.15Å; Y230-Q479 WeakPolarHBondContact CA-O 3.41Å; Y230-Q479 WeakPolarHBondContact CB-O 3.3Å; Y230-Q479 PolarHBondContact N-O 3.34Å; Y230-Q479 VanDerWaalsContact N-O 3.12Å; P427-Q479 HydrophobicContact CB-CB 4.13Å; P427-Q479 HydrophobicContact CB-CG 4.14Å; P427-Q479 HydrophobicContact CG-CB 3.7Å; P427-Q479 HydrophobicContact CG-CG 4.16Å; P427-Q479 PolarHBondContact O-OE1 3.46Å; K429-Q479 VanDerWaalsContact CG-CD 3.46Å; K429-Q479 HydrophobicContact CG-CG 4.34Å; S476-Q479 WeakPolarHBondContact O-CA 3.35Å; S476-Q479 PolarHBondContact O-N 3.49Å; R477-Q479 VanDerWaalsContact C-N 3.32Å
480	E	93.8	Very high	93.7	Very high	71 Å²	71	34 Å²	34	33%	0.332	19%	0.189	S	C	.	.			trans	-71.4	135.2	170.8	-54.5	170.4	-161.7	0	0	108.9	R44 Y475 S476 N478 N482	R44-E480 IonicContact NE-OE1 2.67Å; R44-E480 IonicContact NH2-OE1 3.43Å; R44-E480 PolarHBondContact NH2-OE1 2.77Å; Y475-E480 WeakPolarHBondContact CA-O 3.14Å; S476-E480 PolarHBondContact N-O 3.38Å; S476-E480 VanDerWaalsContact OG-CB 3.3Å; S476-E480 WeakPolarHBondContact OG-CB 3.19Å; S476-E480 PolarHBondContact OG-N 3.45Å; S476-E480 PolarHBondContact OG-O 2.96Å; N478-E480 HydrophobicContact CB-CG 4.17Å; N478-E480 PolarHBondContact O-N 2.95Å; E480-N482 PolarHBondContact O-N 2.88Å
481	D	95.2	Very high	93.8	Very high	54 Å²	54	36 Å²	36	29%	0.289	19%	0.189	S	C	.	.	B	Isolated β-bridge	trans	-71.1	115.5	174.6	-175.7	5	0	0	0	111	Y230 Y475 T483	Y230-D481 WeakPolarHBondContact O-CB 3.42Å; Y475-D481 HydrophobicContact CD1-CB 4.08Å; Y475-D481 HydrophobicContact CE1-CB 3.95Å; D481-T483 WeakPolarHBondContact OD1-CB 3.49Å; D481-T483 PolarHBondContact OD1-N 2.96Å; D481-T483 PolarHBondContact OD1-OG1 2.88Å
482	N	94.8	Very high	93.6	Very high	20 Å²	20	37.2 Å²	37.2	11%	0.107	19%	0.19	C	C	.	.			trans	-107.2	11.4	177.8	-83.6	-8.8	0	0	0	112.1	V474 E480 T484 K485 Y486	V474-N482 HydrophobicContact CG1-CB 4.37Å; V474-N482 CarbonylContact O-C 3.56Å; V474-N482 VanDerWaalsContact O-CA 3.31Å; V474-N482 WeakPolarHBondContact O-CA 3.26Å; V474-N482 WeakPolarHBondContact O-CB 3.22Å; V474-N482 PolarHBondContact O-N 2.87Å; E480-N482 PolarHBondContact O-N 2.88Å; N482-T484 VanDerWaalsContact C-N 3.3Å; N482-T484 PolarHBondContact O-N 3.01Å; N482-K485 HydrophobicContact CB-CB 4.25Å; N482-K485 WeakPolarHBondContact O-CA 3.34Å; N482-K485 WeakPolarHBondContact O-CB 3.24Å; N482-K485 PolarHBondContact O-N 3.41Å; N482-Y486 HydrophobicContact CB-CD2 4.11Å; N482-Y486 HydrophobicContact CB-CE2 4.24Å; N482-Y486 PolarHBondContact O-N 3.1Å
483	T	94.7	Very high	93.5	Very high	21 Å²	21	37 Å²	37	13%	0.129	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-53.5	-46	-179.3	-57.8	0	0	0	0	111.6	H473 V474 D481 K485 Y486 V490	H473-T483 WeakPolarHBondContact CA-OG1 3.39Å; H473-T483 PolarHBondContact ND1-OG1 3.07Å; V474-T483 PolarHBondContact N-OG1 2.76Å; V474-T483 PolarHBondContact O-N 2.93Å; D481-T483 WeakPolarHBondContact OD1-CB 3.49Å; D481-T483 PolarHBondContact OD1-N 2.96Å; D481-T483 PolarHBondContact OD1-OG1 2.88Å; T483-K485 PolarHBondContact O-N 3.3Å; T483-Y486 CarbonylContact O-C 3.5Å; T483-Y486 PolarHBondContact O-N 3.21Å; T483-Y486 VanDerWaalsContact O-N 3.16Å; T483-V490 HydrophobicContact CG2-CG1 4.06Å; T483-V490 HydrophobicContact CG2-CG2 4.18Å
484	T	92	Very high	93.3	Very high	64 Å²	64	34.7 Å²	34.7	39%	0.393	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-74.5	-10	178.1	66.1	0	0	0	0	114.5	N482 D564 V565	N482-T484 VanDerWaalsContact C-N 3.3Å; N482-T484 PolarHBondContact O-N 3.01Å; T484-D564 PolarHBondContact OG1-N 2.92Å; T484-V565 PolarHBondContact O-N 2.79Å
485	K	92.6	Very high	93	Very high	15 Å²	15	37.9 Å²	37.9	7%	0.065	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-81.1	-26.6	171.6	-176.2	178.6	176.7	-177.6	0	111.6	E460 N482 T483 P487	E460-K485 IonicContact OE1-NZ 2.93Å; E460-K485 PolarHBondContact OE1-NZ 2.84Å; E460-K485 IonicContact OE2-NZ 2.63Å; E460-K485 PolarHBondContact OE2-NZ 2.86Å; N482-K485 HydrophobicContact CB-CB 4.25Å; N482-K485 WeakPolarHBondContact O-CA 3.34Å; N482-K485 WeakPolarHBondContact O-CB 3.24Å; N482-K485 PolarHBondContact O-N 3.41Å; T483-K485 PolarHBondContact O-N 3.3Å; K485-P487 WeakPolarHBondContact O-CD 3.42Å
486	Y	93.9	Very high	92.8	Very high	1 Å²	1	41.9 Å²	41.9	0%	0.004	21%	0.214	C	C	.	.			trans	-125	57.9	-173.9	-66.6	-69.7	0	0	0	112.5	E460 V474 N482 T483 D488 I489 V490 V541 I574	E460-Y486 PolarHBondContact OE2-OH 2.95Å; V474-Y486 HydrophobicContact CG1-CD2 3.99Å; N482-Y486 HydrophobicContact CB-CD2 4.11Å; N482-Y486 HydrophobicContact CB-CE2 4.24Å; N482-Y486 PolarHBondContact O-N 3.1Å; T483-Y486 CarbonylContact O-C 3.5Å; T483-Y486 PolarHBondContact O-N 3.21Å; T483-Y486 VanDerWaalsContact O-N 3.16Å; Y486-D488 WeakPolarHBondContact CA-OD1 3.27Å; Y486-D488 PolarHBondContact O-N 3.41Å; Y486-I489 HydrophobicContact CD1-CD1 3.77Å; Y486-I489 HydrophobicContact CD1-CG1 4.29Å; Y486-I489 HydrophobicContact CD2-CD1 4.37Å; Y486-I489 HydrophobicContact CG-CD1 3.67Å; Y486-I489 HydrophobicContact CG-CG1 4.29Å; Y486-I489 WeakPolarHBondContact O-CB 3.42Å; Y486-I489 PolarHBondContact O-N 3.17Å; Y486-V490 PolarHBondContact O-N 2.81Å; Y486-V541 HydrophobicContact CD1-CG1 4.46Å; Y486-V541 HydrophobicContact CE1-CG1 3.76Å; Y486-I574 HydrophobicContact CD1-CD1 4.37Å
487	P	92.2	Very high	92.8	Very high	12 Å²	12	41 Å²	41	8%	0.078	21%	0.208	C	C	.	.	H	α-helix	trans	-59.7	-32.6	177	27.8	-35.2	0	0	0	111.7	K485 I489 V490 N491 V565 E567 L570	K485-P487 WeakPolarHBondContact O-CD 3.42Å; P487-I489 VanDerWaalsContact C-N 3.31Å; P487-I489 PolarHBondContact O-N 3.14Å; P487-V490 PolarHBondContact O-N 3.43Å; P487-N491 WeakPolarHBondContact O-CB 3.35Å; P487-N491 VanDerWaalsContact O-CG 3.29Å; P487-N491 PolarHBondContact O-N 3.08Å; P487-N491 PolarHBondContact O-ND2 3.04Å; P487-V565 HydrophobicContact CG-CB 4.37Å; P487-E567 HydrophobicContact CB-CB 4.43Å; P487-E567 HydrophobicContact CG-CB 4.31Å; P487-L570 HydrophobicContact CG-CD1 4.22Å
488	D	91.5	Very high	92.8	Very high	26 Å²	26	36.2 Å²	36.2	14%	0.139	19%	0.193	C	C	.	.	I	π-helix	trans	-63.6	-31.8	175.2	53.1	-28.4	0	0	0	113.6	Y486 N492 L493 R560 L570 I574	Y486-D488 WeakPolarHBondContact CA-OD1 3.27Å; Y486-D488 PolarHBondContact O-N 3.41Å; D488-N492 WeakPolarHBondContact O-CB 3.27Å; D488-N492 PolarHBondContact O-N 3.34Å; D488-L493 PolarHBondContact O-N 3.42Å; D488-R560 IonicContact OD1-NH1 2.82Å; D488-R560 PolarHBondContact OD1-NH1 2.87Å; D488-R560 IonicContact OD2-CZ 3.29Å; D488-R560 IonicContact OD2-NH1 3.17Å; D488-R560 PolarHBondContact OD2-NH1 2.8Å; D488-R560 IonicContact OD2-NH2 2.75Å; D488-R560 PolarHBondContact OD2-NH2 3.09Å; D488-L570 HydrophobicContact CB-CD1 3.66Å; D488-I574 WeakPolarHBondContact OD2-CG1 3.13Å
489	I	93.1	Very high	92.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.204	C	C	.	.	I	π-helix	trans	-69.1	-55.7	171.5	-61.9	-178.8	0	0	0	109.4	I464 V474 Y486 P487 L493 M494 V541 I574 I576	I464-I489 HydrophobicContact CD1-CG2 4.49Å; V474-I489 HydrophobicContact CG2-CB 4.39Å; V474-I489 HydrophobicContact CG2-CD1 4.42Å; V474-I489 HydrophobicContact CG2-CG2 3.97Å; Y486-I489 HydrophobicContact CD1-CD1 3.77Å; Y486-I489 HydrophobicContact CD1-CG1 4.29Å; Y486-I489 HydrophobicContact CD2-CD1 4.37Å; Y486-I489 HydrophobicContact CG-CD1 3.67Å; Y486-I489 HydrophobicContact CG-CG1 4.29Å; Y486-I489 WeakPolarHBondContact O-CB 3.42Å; Y486-I489 PolarHBondContact O-N 3.17Å; P487-I489 VanDerWaalsContact C-N 3.31Å; P487-I489 PolarHBondContact O-N 3.14Å; I489-L493 WeakPolarHBondContact O-CB 3.36Å; I489-L493 PolarHBondContact O-N 3.12Å; I489-M494 HydrophobicContact CG2-CG 4.17Å; I489-M494 WeakPolarHBondContact O-CG 3.21Å; I489-M494 PolarHBondContact O-N 3.47Å; I489-V541 HydrophobicContact CD1-CG2 3.92Å; I489-I574 HydrophobicContact CD1-CD1 3.65Å; I489-I574 HydrophobicContact CG1-CD1 3.4Å; I489-I576 HydrophobicContact CB-CD1 4.43Å; I489-I576 HydrophobicContact CD1-CD1 3.68Å; I489-I576 HydrophobicContact CD1-CG1 4.22Å; I489-I576 HydrophobicContact CG1-CD1 3.88Å; I489-I576 HydrophobicContact CG2-CD1 3.76Å
490	V	92.6	Very high	92.7	Very high	24 Å²	24	42.7 Å²	42.7	15%	0.145	23%	0.229	C	C	.	.	I	π-helix	trans	-79.5	-32.2	-165.8	-60.9	0	0	0	0	114.2	S472 V474 T483 Y486 P487	S472-V490 VanDerWaalsContact OG-CA 3.27Å; S472-V490 WeakPolarHBondContact OG-CA 3.3Å; S472-V490 WeakPolarHBondContact OG-CB 3.32Å; S472-V490 VanDerWaalsContact OG-CG1 3.31Å; S472-V490 WeakPolarHBondContact OG-CG1 3.09Å; S472-V490 PolarHBondContact OG-O 3.46Å; V474-V490 HydrophobicContact CG2-CG1 3.83Å; T483-V490 HydrophobicContact CG2-CG1 4.06Å; T483-V490 HydrophobicContact CG2-CG2 4.18Å; Y486-V490 PolarHBondContact O-N 2.81Å; P487-V490 PolarHBondContact O-N 3.43Å
491	N	89.9	Confident	92.7	Very high	90 Å²	90	39.7 Å²	39.7	48%	0.481	22%	0.217	S	C	.	.	I	π-helix	trans	-87.8	-36.7	-179.6	-58.9	-22.7	0	0	0	112.4	P487 S495 E567	P487-N491 WeakPolarHBondContact O-CB 3.35Å; P487-N491 VanDerWaalsContact O-CG 3.29Å; P487-N491 PolarHBondContact O-N 3.08Å; P487-N491 PolarHBondContact O-ND2 3.04Å; N491-S495 WeakPolarHBondContact O-CB 3.46Å; N491-S495 PolarHBondContact O-OG 3.37Å; N491-E567 PolarHBondContact ND2-OE2 2.93Å; N491-E567 VanDerWaalsContact ND2-OE2 3.12Å
492	N	89.8	Confident	92.6	Very high	64 Å²	64	43.2 Å²	43.2	34%	0.342	23%	0.229	S	C	.	.	I	π-helix	trans	-117.2	-43.6	-168.1	-63.2	-29.2	0	0	0	115.1	D488 S495 R496 E567	D488-N492 WeakPolarHBondContact O-CB 3.27Å; D488-N492 PolarHBondContact O-N 3.34Å; N492-S495 VanDerWaalsContact C-OG 3.31Å; N492-S495 WeakPolarHBondContact CA-OG 3.5Å; N492-S495 PolarHBondContact O-OG 3.28Å; N492-R496 PolarHBondContact O-NE 2.65Å; N492-R496 VanDerWaalsContact O-NE 3.09Å; N492-E567 VanDerWaalsContact ND2-CD 3.28Å; N492-E567 PolarHBondContact ND2-OE1 3.29Å
493	L	93.1	Very high	92.5	Very high	7 Å²	7	42.4 Å²	42.4	4%	0.037	23%	0.225	C	C	.	.	I	π-helix	trans	-73.7	-52.1	-176.7	-175.8	57	0	0	0	110.2	D488 I489 S495 R496 V497 I576 I608 E611 F612	D488-L493 PolarHBondContact O-N 3.42Å; I489-L493 WeakPolarHBondContact O-CB 3.36Å; I489-L493 PolarHBondContact O-N 3.12Å; L493-S495 VanDerWaalsContact C-N 3.25Å; L493-S495 PolarHBondContact O-N 3.08Å; L493-R496 PolarHBondContact O-N 3.16Å; L493-V497 HydrophobicContact CD1-CG2 4.05Å; L493-V497 HydrophobicContact CG-CG2 4.21Å; L493-V497 WeakPolarHBondContact O-CG2 3.44Å; L493-V497 PolarHBondContact O-N 2.75Å; L493-I576 HydrophobicContact CD2-CD1 3.45Å; L493-I576 VanDerWaalsContact CD2-CD1 3.45Å; L493-I576 HydrophobicContact CD2-CG1 3.84Å; L493-I608 HydrophobicContact CD1-CD1 4.46Å; L493-E611 HydrophobicContact CD1-CB 3.75Å; L493-F612 HydrophobicContact CD1-CB 4.14Å; L493-F612 HydrophobicContact CD2-CB 4.42Å; L493-F612 HydrophobicContact CD2-CD2 4.36Å
494	M	93.4	Very high	92.5	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.01	23%	0.227	C	C	.	.	H	α-helix	trans	-64.7	-30	-179.5	-64.4	-47.2	-51.3	0	0	112.6	I464 I466 I489 R496 V497 L498	I464-M494 HydrophobicContact CG2-SD 4.46Å; I466-M494 HydrophobicContact CD1-CE 3.67Å; I466-M494 HydrophobicContact CD1-CG 4.49Å; I466-M494 HydrophobicContact CG1-CE 4.38Å; I489-M494 HydrophobicContact CG2-CG 4.17Å; I489-M494 WeakPolarHBondContact O-CG 3.21Å; I489-M494 PolarHBondContact O-N 3.47Å; M494-R496 PolarHBondContact O-N 3.08Å; M494-V497 HydrophobicContact CE-CB 4.28Å; M494-V497 HydrophobicContact CE-CG1 4.18Å; M494-V497 PolarHBondContact O-N 3.13Å; M494-L498 HydrophobicContact CB-CD1 4.2Å; M494-L498 HydrophobicContact CB-CG 4.38Å; M494-L498 HydrophobicContact CE-CD1 4.26Å; M494-L498 HydrophobicContact CE-CD2 3.57Å; M494-L498 HydrophobicContact CE-CG 3.67Å; M494-L498 VanDerWaalsContact O-CB 3.29Å; M494-L498 WeakPolarHBondContact O-CB 3.05Å; M494-L498 WeakPolarHBondContact O-CG 3.27Å; M494-L498 PolarHBondContact O-N 3.42Å
495	S	91.1	Very high	92.6	Very high	67 Å²	67	45.1 Å²	45.1	47%	0.469	24%	0.244	S	C	.	.	H	α-helix	trans	-68	-17.6	175.1	58.1	0	0	0	0	113.9	N491 N492 L493 P499	N491-S495 WeakPolarHBondContact O-CB 3.46Å; N491-S495 PolarHBondContact O-OG 3.37Å; N492-S495 VanDerWaalsContact C-OG 3.31Å; N492-S495 WeakPolarHBondContact CA-OG 3.5Å; N492-S495 PolarHBondContact O-OG 3.28Å; L493-S495 VanDerWaalsContact C-N 3.25Å; L493-S495 PolarHBondContact O-N 3.08Å; S495-P499 VanDerWaalsContact O-CD 3.25Å; S495-P499 WeakPolarHBondContact O-CD 3.44Å; S495-P499 VanDerWaalsContact O-CG 3.23Å; S495-P499 WeakPolarHBondContact O-CG 3.28Å
496	R	92.6	Very high	92.6	Very high	93 Å²	93	47.7 Å²	47.7	35%	0.351	26%	0.255	S	S	.	.	H	α-helix	trans	-96.9	-37.2	170.7	-69.8	177.6	-67.8	135.7	-4.1	113.2	N492 L493 M494 I608 E611	N492-R496 PolarHBondContact O-NE 2.65Å; N492-R496 VanDerWaalsContact O-NE 3.09Å; L493-R496 PolarHBondContact O-N 3.16Å; M494-R496 PolarHBondContact O-N 3.08Å; R496-I608 HydrophobicContact CB-CD1 4.34Å; R496-E611 IonicContact CZ-OE1 3.06Å; R496-E611 IonicContact CZ-OE2 2.62Å; R496-E611 VanDerWaalsContact NH1-CD 3.3Å; R496-E611 IonicContact NH1-OE1 3.9Å; R496-E611 PolarHBondContact NH1-OE1 3.2Å; R496-E611 IonicContact NH1-OE2 3.88Å; R496-E611 PolarHBondContact NH1-OE2 3.15Å; R496-E611 IonicContact NH2-OE1 3.06Å; R496-E611 IonicContact NH2-OE2 3.9Å; R496-E611 PolarHBondContact NH2-OE2 3.07Å
497	V	94.2	Very high	92.7	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-69.5	-49	-179.9	173.3	0	0	0	0	111.4	L493 M494 E500 S501 F605 P606 I608 F612	L493-V497 HydrophobicContact CD1-CG2 4.05Å; L493-V497 HydrophobicContact CG-CG2 4.21Å; L493-V497 WeakPolarHBondContact O-CG2 3.44Å; L493-V497 PolarHBondContact O-N 2.75Å; M494-V497 HydrophobicContact CE-CB 4.28Å; M494-V497 HydrophobicContact CE-CG1 4.18Å; M494-V497 PolarHBondContact O-N 3.13Å; V497-E500 PolarHBondContact O-N 3.3Å; V497-S501 PolarHBondContact O-N 3.25Å; V497-S501 PolarHBondContact O-OG 3.06Å; V497-S501 VanDerWaalsContact O-OG 3.04Å; V497-F605 HydrophobicContact CG1-CD1 3.88Å; V497-P606 HydrophobicContact CG1-CG 4.11Å; V497-I608 HydrophobicContact CG2-CD1 3.72Å; V497-F612 HydrophobicContact CG1-CD1 4.31Å; V497-F612 HydrophobicContact CG1-CD2 4.45Å; V497-F612 HydrophobicContact CG1-CE1 4.17Å; V497-F612 HydrophobicContact CG1-CE2 4.28Å; V497-F612 HydrophobicContact CG1-CG 4.45Å; V497-F612 HydrophobicContact CG1-CZ 4.12Å; V497-F612 HydrophobicContact CG2-CB 3.92Å; V497-F612 HydrophobicContact CG2-CD1 4.3Å; V497-F612 HydrophobicContact CG2-CD2 3.98Å; V497-F612 HydrophobicContact CG2-CG 3.81Å
498	L	92.8	Very high	92.8	Very high	41 Å²	41	49.2 Å²	49.2	22%	0.215	26%	0.263	C	S	.	.	H	α-helix	trans	-64.3	-39	-171.2	-65.6	174.9	0	0	0	114.9	I466 M494 E500 S501 L532	I466-L498 HydrophobicContact CD1-CD1 4.27Å; I466-L498 HydrophobicContact CD1-CD2 4.2Å; I466-L498 HydrophobicContact CG1-CD2 4.05Å; I466-L498 HydrophobicContact CG2-CD1 4.11Å; I466-L498 HydrophobicContact CG2-CD2 4.11Å; M494-L498 HydrophobicContact CB-CD1 4.2Å; M494-L498 HydrophobicContact CB-CG 4.38Å; M494-L498 HydrophobicContact CE-CD1 4.26Å; M494-L498 HydrophobicContact CE-CD2 3.57Å; M494-L498 HydrophobicContact CE-CG 3.67Å; M494-L498 VanDerWaalsContact O-CB 3.29Å; M494-L498 WeakPolarHBondContact O-CB 3.05Å; M494-L498 WeakPolarHBondContact O-CG 3.27Å; M494-L498 PolarHBondContact O-N 3.42Å; L498-E500 PolarHBondContact O-N 3.4Å; L498-S501 WeakPolarHBondContact O-CB 3.48Å; L498-S501 PolarHBondContact O-N 3.27Å; L498-L532 HydrophobicContact CD2-CD2 3.95Å
499	P	91.3	Very high	92.8	Very high	102 Å²	102	53.2 Å²	53.2	66%	0.662	28%	0.281	S	S	*	.	H	α-helix	trans	-64.3	-27.8	175.9	-24.8	36.2	0	0	0	113.9	S495	S495-P499 VanDerWaalsContact O-CD 3.25Å; S495-P499 WeakPolarHBondContact O-CD 3.44Å; S495-P499 VanDerWaalsContact O-CG 3.23Å; S495-P499 WeakPolarHBondContact O-CG 3.28Å
500	E	92.3	Very high	92.9	Very high	122 Å²	122	53.9 Å²	53.9	57%	0.57	28%	0.284	S	S	*	.	H	α-helix	trans	-88.1	-16.5	176.6	-71.4	-177.5	-163.8	0	0	112.5	V497 L498 P606	V497-E500 PolarHBondContact O-N 3.3Å; L498-E500 PolarHBondContact O-N 3.4Å; E500-P606 HydrophobicContact CB-CB 4.1Å; E500-P606 HydrophobicContact CB-CG 3.79Å; E500-P606 WeakPolarHBondContact OE2-CB 3.37Å
501	S	94.1	Very high	93	Very high	9 Å²	9	52.8 Å²	52.8	6%	0.063	28%	0.277	C	S	.	.			trans	-70.8	126.2	174.5	-63.2	0	0	0	0	111.9	V497 L498 V604 F605	V497-S501 PolarHBondContact O-N 3.25Å; V497-S501 PolarHBondContact O-OG 3.06Å; V497-S501 VanDerWaalsContact O-OG 3.04Å; L498-S501 WeakPolarHBondContact O-CB 3.48Å; L498-S501 PolarHBondContact O-N 3.27Å; S501-V604 WeakPolarHBondContact CA-O 3.36Å; S501-V604 WeakPolarHBondContact CB-O 3.28Å; S501-F605 VanDerWaalsContact OG-CD1 3.25Å; S501-F605 WeakPolarHBondContact OG-CD1 3.47Å
502	K	92.8	Very high	93	Very high	127 Å²	127	50.6 Å²	50.6	55%	0.552	27%	0.269	S	S	*	.	B	Isolated β-bridge	trans	-145.2	144.9	-179.2	61.7	-175.1	176.9	-176.5	0	111	T504 N530 V604	K502-T504 PolarHBondContact O-N 3.04Å; K502-N530 WeakPolarHBondContact CA-O 3.47Å; K502-V604 PolarHBondContact N-O 3.04Å; K502-V604 WeakPolarHBondContact O-CA 3.32Å
503	L	93.3	Very high	93.1	Very high	4 Å²	4	52 Å²	52	2%	0.021	27%	0.274	C	S	.	.			trans	-76.8	107.6	168.3	-78.7	67.4	0	0	0	107.5	I508 L511 I527 N530 L532 I584	L503-I508 HydrophobicContact CB-CD1 4.23Å; L503-I508 HydrophobicContact CB-CG1 3.82Å; L503-I508 HydrophobicContact CD2-CG1 4.4Å; L503-L511 HydrophobicContact CD2-CD1 3.85Å; L503-L511 HydrophobicContact CG-CD1 4.49Å; L503-I527 HydrophobicContact CD2-CG2 3.89Å; L503-N530 PolarHBondContact N-O 3.04Å; L503-L532 HydrophobicContact CD1-CB 4.22Å; L503-L532 HydrophobicContact CD1-CD1 4.35Å; L503-I584 HydrophobicContact CD1-CD1 4.17Å; L503-I584 HydrophobicContact CG-CD1 4.4Å
504	T	93.7	Very high	93	Very high	29 Å²	29	52 Å²	52	18%	0.178	27%	0.273	C	S	.	.			trans	-62.7	158.3	171.4	51.2	0	0	0	0	110.5	K502 H506 A507 I508 E603	K502-T504 PolarHBondContact O-N 3.04Å; T504-H506 PolarHBondContact O-N 3.16Å; T504-A507 PolarHBondContact O-N 3.28Å; T504-A507 WeakPolarHBondContact OG1-CB 3.17Å; T504-A507 PolarHBondContact OG1-N 3.47Å; T504-A507 VanDerWaalsContact OG1-N 3.16Å; T504-I508 VanDerWaalsContact O-CG1 3.31Å; T504-I508 WeakPolarHBondContact O-CG1 3.39Å; T504-I508 PolarHBondContact O-N 3.05Å; T504-E603 HydrophobicContact CG2-CB 4.09Å; T504-E603 PolarHBondContact OG1-OE2 3.27Å
505	P	93.8	Very high	92.8	Very high	113 Å²	113	53.2 Å²	53.2	73%	0.734	28%	0.281	S	S	*	.	H	α-helix	trans	-53.2	-40.3	174.2	-28	36.1	0	0	0	113.4	I508 E509	P505-I508 PolarHBondContact O-N 3.32Å; P505-E509 PolarHBondContact O-N 3.06Å
506	H	94.1	Very high	92.6	Very high	68 Å²	68	57.4 Å²	57.4	32%	0.315	29%	0.291	S	S	.	.	H	α-helix	trans	-68	-45.2	178.1	-173.1	69.5	0	0	0	112.4	T504 I508 E509 L510 E599 E603	T504-H506 PolarHBondContact O-N 3.16Å; H506-I508 VanDerWaalsContact C-N 3.28Å; H506-I508 PolarHBondContact O-N 3.14Å; H506-E509 WeakPolarHBondContact O-CB 3.41Å; H506-E509 PolarHBondContact O-N 3.28Å; H506-E509 VanDerWaalsContact O-N 3.09Å; H506-L510 PolarHBondContact O-N 3.25Å; H506-E599 IonicContact CD2-OE1 2.97Å; H506-E599 PolarHBondContact CD2-OE1 2.96Å; H506-E599 IonicContact CE1-OE1 3.79Å; H506-E599 IonicContact NE2-OE1 2.64Å; H506-E599 PolarHBondContact NE2-OE1 2.67Å; H506-E603 WeakPolarHBondContact CB-OE2 3.49Å; H506-E603 IonicContact CD2-OE1 2.72Å; H506-E603 PolarHBondContact CD2-OE1 3Å; H506-E603 IonicContact CD2-OE2 3.48Å; H506-E603 IonicContact CG-OE1 3.71Å; H506-E603 IonicContact CG-OE2 3.16Å
507	A	94.5	Very high	92	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-59.3	-37.8	172.2	0	0	0	0	0	112.6	T504 E509 L511 E603 V604	T504-A507 PolarHBondContact O-N 3.28Å; T504-A507 WeakPolarHBondContact OG1-CB 3.17Å; T504-A507 PolarHBondContact OG1-N 3.47Å; T504-A507 VanDerWaalsContact OG1-N 3.16Å; A507-E509 VanDerWaalsContact C-N 3.34Å; A507-L511 VanDerWaalsContact O-CB 3.3Å; A507-L511 WeakPolarHBondContact O-CB 3.34Å; A507-L511 WeakPolarHBondContact O-CD1 3.42Å; A507-L511 WeakPolarHBondContact O-CG 3.26Å; A507-L511 PolarHBondContact O-N 2.84Å; A507-E603 HydrophobicContact CB-CB 4.41Å; A507-E603 PolarHBondContact N-OE2 3.17Å; A507-V604 HydrophobicContact CB-CG2 4.33Å
508	I	93.8	Very high	91.1	Very high	45 Å²	45	61.8 Å²	61.8	23%	0.231	32%	0.321	C	S	.	.	H	α-helix	trans	-64.3	-40.5	175.2	-66.5	169	0	0	0	110.8	L503 T504 P505 H506 S512 I527	L503-I508 HydrophobicContact CB-CD1 4.23Å; L503-I508 HydrophobicContact CB-CG1 3.82Å; L503-I508 HydrophobicContact CD2-CG1 4.4Å; T504-I508 VanDerWaalsContact O-CG1 3.31Å; T504-I508 WeakPolarHBondContact O-CG1 3.39Å; T504-I508 PolarHBondContact O-N 3.05Å; P505-I508 PolarHBondContact O-N 3.32Å; H506-I508 VanDerWaalsContact C-N 3.28Å; H506-I508 PolarHBondContact O-N 3.14Å; I508-S512 VanDerWaalsContact O-CB 3.27Å; I508-S512 WeakPolarHBondContact O-CB 3.43Å; I508-S512 PolarHBondContact O-N 3.1Å; I508-S512 PolarHBondContact O-OG 3.06Å; I508-I527 HydrophobicContact CG1-CG2 4.32Å; I508-I527 HydrophobicContact CG2-CG2 4.31Å
509	E	93.4	Very high	89.7	Confident	111 Å²	111	69 Å²	69	52%	0.519	35%	0.351	S	S	.	.	H	α-helix	trans	-61.1	-54.3	176.1	-177.2	169.3	-160.4	0	0	111.1	P505 H506 A507 L511 S512 E513	P505-E509 PolarHBondContact O-N 3.06Å; H506-E509 WeakPolarHBondContact O-CB 3.41Å; H506-E509 PolarHBondContact O-N 3.28Å; H506-E509 VanDerWaalsContact O-N 3.09Å; A507-E509 VanDerWaalsContact C-N 3.34Å; E509-L511 VanDerWaalsContact C-N 3.33Å; E509-L511 PolarHBondContact O-N 2.86Å; E509-S512 WeakPolarHBondContact O-CA 3.01Å; E509-S512 WeakPolarHBondContact O-CB 3.15Å; E509-S512 PolarHBondContact O-N 3.35Å; E509-E513 PolarHBondContact O-N 3.09Å
510	L	94.1	Very high	88.1	Confident	14 Å²	14	67 Å²	67	7%	0.073	33%	0.334	C	S	.	.	H	α-helix	trans	-54.4	-47.6	176.6	-68.9	176.8	0	0	0	112.1	H506 S512 E513 I514 I596 E599 I600	H506-L510 PolarHBondContact O-N 3.25Å; L510-S512 VanDerWaalsContact C-N 3.3Å; L510-S512 PolarHBondContact O-N 3.18Å; L510-E513 PolarHBondContact O-N 2.92Å; L510-I514 WeakPolarHBondContact O-CD1 3.37Å; L510-I514 VanDerWaalsContact O-CG1 3.25Å; L510-I514 WeakPolarHBondContact O-CG1 3.5Å; L510-I514 PolarHBondContact O-N 3.39Å; L510-I514 VanDerWaalsContact O-N 3.08Å; L510-I596 HydrophobicContact CD2-CD1 4.17Å; L510-E599 HydrophobicContact CD1-CG 4.09Å; L510-I600 HydrophobicContact CB-CD1 4.37Å; L510-I600 HydrophobicContact CB-CG1 4.37Å; L510-I600 HydrophobicContact CD1-CG1 3.96Å
511	L	93.7	Very high	86.1	Confident	1 Å²	1	70.1 Å²	70.1	1%	0.005	35%	0.349	C	S	.	.	H	α-helix	trans	-66.2	-33.5	178.8	-70.1	172.2	0	0	0	112.3	L503 A507 E509 I514 V515 I527 I584 I587 L589 I600	L503-L511 HydrophobicContact CD2-CD1 3.85Å; L503-L511 HydrophobicContact CG-CD1 4.49Å; A507-L511 VanDerWaalsContact O-CB 3.3Å; A507-L511 WeakPolarHBondContact O-CB 3.34Å; A507-L511 WeakPolarHBondContact O-CD1 3.42Å; A507-L511 WeakPolarHBondContact O-CG 3.26Å; A507-L511 PolarHBondContact O-N 2.84Å; E509-L511 VanDerWaalsContact C-N 3.33Å; E509-L511 PolarHBondContact O-N 2.86Å; L511-I514 HydrophobicContact CD2-CD1 4.41Å; L511-I514 PolarHBondContact O-N 3.41Å; L511-V515 WeakPolarHBondContact O-CG2 3.25Å; L511-V515 PolarHBondContact O-N 3.32Å; L511-V515 VanDerWaalsContact O-N 3.11Å; L511-I527 HydrophobicContact CB-CD1 3.21Å; L511-I527 HydrophobicContact CB-CG1 4.47Å; L511-I527 HydrophobicContact CD1-CD1 4.33Å; L511-I527 HydrophobicContact CG-CD1 4.4Å; L511-I584 HydrophobicContact CD1-CD1 4.49Å; L511-I584 HydrophobicContact CD1-CG2 4.05Å; L511-I584 HydrophobicContact CD2-CG2 3.49Å; L511-I584 VanDerWaalsContact CD2-CG2 3.49Å; L511-I584 HydrophobicContact CG-CG2 4.43Å; L511-I587 HydrophobicContact CB-CD1 4Å; L511-I587 HydrophobicContact CD2-CD1 4.05Å; L511-I587 HydrophobicContact CD2-CG2 4.37Å; L511-I587 HydrophobicContact CG-CD1 4.48Å; L511-L589 HydrophobicContact CD2-CD2 3.91Å; L511-I600 HydrophobicContact CD2-CD1 3.93Å; L511-I600 HydrophobicContact CG-CD1 4.31Å
512	S	91.8	Very high	84	Confident	43 Å²	43	71.6 Å²	71.6	30%	0.301	36%	0.357	S	S	.	.	H	α-helix	trans	-68.9	-36.4	176.7	-63.1	0	0	0	0	112	I508 E509 L510 K516	I508-S512 VanDerWaalsContact O-CB 3.27Å; I508-S512 WeakPolarHBondContact O-CB 3.43Å; I508-S512 PolarHBondContact O-N 3.1Å; I508-S512 PolarHBondContact O-OG 3.06Å; E509-S512 WeakPolarHBondContact O-CA 3.01Å; E509-S512 WeakPolarHBondContact O-CB 3.15Å; E509-S512 PolarHBondContact O-N 3.35Å; L510-S512 VanDerWaalsContact C-N 3.3Å; L510-S512 PolarHBondContact O-N 3.18Å; S512-K516 WeakPolarHBondContact O-CG 3.33Å; S512-K516 PolarHBondContact O-N 2.99Å
513	E	90.8	Very high	81.8	Confident	95 Å²	95	74.4 Å²	74.4	44%	0.444	37%	0.372	S	S	.	.	H	α-helix	trans	-64.2	-48.1	172.7	-68.3	-177.9	159.2	0	0	111.1	E509 L510 V515 K516 D517	E509-E513 PolarHBondContact O-N 3.09Å; L510-E513 PolarHBondContact O-N 2.92Å; E513-V515 VanDerWaalsContact C-N 3.26Å; E513-V515 PolarHBondContact O-N 2.85Å; E513-K516 WeakPolarHBondContact O-CB 3.32Å; E513-K516 PolarHBondContact O-N 3.32Å; E513-D517 PolarHBondContact O-N 3.01Å
514	I	91.3	Very high	79.3	Confident	5 Å²	5	80.1 Å²	80.1	3%	0.026	41%	0.412	C	S	.	.	H	α-helix	trans	-56.3	-40.3	177.6	-67.3	163.7	0	0	0	111.9	L510 L511 N518 I587 L589 Q592 I596 I600	L510-I514 WeakPolarHBondContact O-CD1 3.37Å; L510-I514 VanDerWaalsContact O-CG1 3.25Å; L510-I514 WeakPolarHBondContact O-CG1 3.5Å; L510-I514 PolarHBondContact O-N 3.39Å; L510-I514 VanDerWaalsContact O-N 3.08Å; L511-I514 HydrophobicContact CD2-CD1 4.41Å; L511-I514 PolarHBondContact O-N 3.41Å; I514-N518 WeakPolarHBondContact CG2-ND2 3.48Å; I514-N518 WeakPolarHBondContact O-CB 3.43Å; I514-N518 PolarHBondContact O-N 3.46Å; I514-N518 PolarHBondContact O-ND2 2.87Å; I514-I587 HydrophobicContact CG2-CG2 3.86Å; I514-L589 HydrophobicContact CD1-CD2 3.78Å; I514-Q592 HydrophobicContact CD1-CG 3.89Å; I514-Q592 HydrophobicContact CG1-CG 4.08Å; I514-Q592 HydrophobicContact CG2-CG 4.22Å; I514-I596 HydrophobicContact CD1-CG2 4.06Å; I514-I600 HydrophobicContact CD1-CD1 4.18Å
515	V	88.1	Confident	76.8	Confident	29 Å²	29	84 Å²	84	18%	0.176	43%	0.432	C	S	.	.	H	α-helix	trans	-67.5	-39.2	178.1	168.8	0	0	0	0	111.7	L511 E513 I520 V522 I587	L511-V515 WeakPolarHBondContact O-CG2 3.25Å; L511-V515 PolarHBondContact O-N 3.32Å; L511-V515 VanDerWaalsContact O-N 3.11Å; E513-V515 VanDerWaalsContact C-N 3.26Å; E513-V515 PolarHBondContact O-N 2.85Å; V515-I520 PolarHBondContact O-N 3.28Å; V515-V522 HydrophobicContact CB-CG2 4.43Å; V515-V522 HydrophobicContact CG1-CG2 3.65Å; V515-V522 HydrophobicContact CG2-CG2 3.82Å; V515-I587 HydrophobicContact CG2-CD1 3.56Å; V515-I587 HydrophobicContact CG2-CG1 3.88Å
516	K	87.4	Confident	74.8	Confident	154 Å²	154	81.2 Å²	81.2	67%	0.67	42%	0.424	S	S	*	.	H	α-helix	trans	-65.1	-47.4	177.6	-72.5	169.9	-174.9	172.1	0	111.2	S512 E513 N518 K519	S512-K516 WeakPolarHBondContact O-CG 3.33Å; S512-K516 PolarHBondContact O-N 2.99Å; E513-K516 WeakPolarHBondContact O-CB 3.32Å; E513-K516 PolarHBondContact O-N 3.32Å; K516-N518 PolarHBondContact O-N 3.4Å; K516-K519 PolarHBondContact O-N 3.37Å
517	D	81.1	Confident	73.3	Confident	125 Å²	125	80 Å²	80	67%	0.668	42%	0.419	S	S	*	.	H	α-helix	trans	-66.2	-40.4	-175.1	-71	-10.9	0	0	0	112.2	E513 K519	E513-D517 PolarHBondContact O-N 3.01Å; D517-K519 VanDerWaalsContact C-N 3.28Å; D517-K519 PolarHBondContact O-N 2.91Å
518	N	74.1	Confident	71.6	Confident	61 Å²	61	85 Å²	85	33%	0.326	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	2.8	-177	-67.9	-51.4	0	0	0	114.2	I514 K516 I520	I514-N518 WeakPolarHBondContact CG2-ND2 3.48Å; I514-N518 WeakPolarHBondContact O-CB 3.43Å; I514-N518 PolarHBondContact O-N 3.46Å; I514-N518 PolarHBondContact O-ND2 2.87Å; K516-N518 PolarHBondContact O-N 3.4Å; N518-I520 HydrophobicContact CB-CD1 3.44Å; N518-I520 VanDerWaalsContact CB-CD1 3.44Å; N518-I520 HydrophobicContact CB-CG1 3.47Å; N518-I520 VanDerWaalsContact CB-CG1 3.47Å; N518-I520 PolarHBondContact O-N 3.33Å
519	K	63.4	Low	70.8	Confident	192 Å²	192	85 Å²	85	84%	0.835	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.6	31	-173.7	-59.4	177.3	-178.6	170.7	0	112.8	K516 D517 Q521	K516-K519 PolarHBondContact O-N 3.37Å; D517-K519 VanDerWaalsContact C-N 3.28Å; D517-K519 PolarHBondContact O-N 2.91Å; K519-Q521 PolarHBondContact O-N 3.12Å
520	I	58.6	Low	70.4	Confident	59 Å²	59	84.7 Å²	84.7	30%	0.303	46%	0.463	S	S	.	.			trans	-71.1	118.5	-174.8	-66.3	165.5	0	0	0	107.7	V515 N518 V522	V515-I520 PolarHBondContact O-N 3.28Å; N518-I520 HydrophobicContact CB-CD1 3.44Å; N518-I520 VanDerWaalsContact CB-CD1 3.44Å; N518-I520 HydrophobicContact CB-CG1 3.47Å; N518-I520 VanDerWaalsContact CB-CG1 3.47Å; N518-I520 PolarHBondContact O-N 3.33Å; I520-V522 HydrophobicContact CG2-CG2 4.01Å; I520-V522 PolarHBondContact O-N 3.42Å
521	Q	49.2	Very low	70.2	Confident	189 Å²	189	91 Å²	91	88%	0.883	49%	0.489	S	S	*	.			trans	-69.3	86.2	159.7	-66.6	-162.6	2.4	0	0	107.5	K519 Q523	K519-Q521 PolarHBondContact O-N 3.12Å; Q521-Q523 PolarHBondContact O-N 3.17Å
522	V	50.2	Low	70.2	Confident	40 Å²	40	91.7 Å²	91.7	24%	0.242	49%	0.493	C	S	.	.			trans	-57.4	135.6	163.6	-172.1	0	0	0	0	105.7	V515 I520 S524 N525	V515-V522 HydrophobicContact CB-CG2 4.43Å; V515-V522 HydrophobicContact CG1-CG2 3.65Å; V515-V522 HydrophobicContact CG2-CG2 3.82Å; I520-V522 HydrophobicContact CG2-CG2 4.01Å; I520-V522 PolarHBondContact O-N 3.42Å; V522-S524 VanDerWaalsContact C-N 3.3Å; V522-S524 PolarHBondContact O-N 3.49Å; V522-N525 WeakPolarHBondContact CG1-O 3.43Å
523	Q	46.4	Very low	70.2	Confident	185 Å²	185	94.6 Å²	94.6	86%	0.864	50%	0.502	S	S	*	.	S	Bend	trans	-53.4	91.4	-178.9	-68.5	178.7	3.4	0	0	110.6	Q521 N525	Q521-Q523 PolarHBondContact O-N 3.17Å; Q523-N525 PolarHBondContact O-N 2.63Å
524	S	41.9	Very low	70.4	Confident	124 Å²	124	90.5 Å²	90.5	87%	0.867	48%	0.484	S	S	*	.	S	Bend	trans	43	-4.3	172.5	-65.4	0	0	0	0	120.6	V522	V522-S524 VanDerWaalsContact C-N 3.3Å; V522-S524 PolarHBondContact O-N 3.49Å
525	N	40	Very low	70.7	Confident	112 Å²	112	90.2 Å²	90.2	60%	0.599	48%	0.482	S	S	*	.	S	Bend	trans	-130.3	118.8	176.2	-70.1	-12.8	0	0	0	104.5	V522 Q523 V528	V522-N525 WeakPolarHBondContact CG1-O 3.43Å; Q523-N525 PolarHBondContact O-N 2.63Å; N525-V528 HydrophobicContact CB-CG2 3.77Å
526	G	53.5	Low	71.2	Confident	54 Å²	54	88.9 Å²	88.9	56%	0.557	47%	0.474	S	S	*	.			trans	-58.7	-159.7	171.3	0	0	0	0	0	111.5	V528	G526-V528 WeakPolarHBondContact O-CG2 3.42Å; G526-V528 PolarHBondContact O-N 2.61Å
527	I	61.3	Low	71.6	Confident	41 Å²	41	81.5 Å²	81.5	21%	0.21	44%	0.442	C	S	.	.	S	Bend	trans	-66.7	90.7	169.2	-54.4	167.6	0	0	0	107.3	L503 I508 L511 G529 I587	L503-I527 HydrophobicContact CD2-CG2 3.89Å; I508-I527 HydrophobicContact CG1-CG2 4.32Å; I508-I527 HydrophobicContact CG2-CG2 4.31Å; L511-I527 HydrophobicContact CB-CD1 3.21Å; L511-I527 HydrophobicContact CB-CG1 4.47Å; L511-I527 HydrophobicContact CD1-CD1 4.33Å; L511-I527 HydrophobicContact CG-CD1 4.4Å; I527-G529 PolarHBondContact O-N 2.67Å; I527-I587 HydrophobicContact CD1-CD1 3.97Å; I527-I587 HydrophobicContact CG1-CD1 3.96Å
528	V	59.3	Low	72.5	Confident	106 Å²	106	75.6 Å²	75.6	64%	0.642	41%	0.411	S	S	*	.			trans	-91	99.6	-178	178.5	0	0	0	0	107.5	N525 G526	N525-V528 HydrophobicContact CB-CG2 3.77Å; G526-V528 WeakPolarHBondContact O-CG2 3.42Å; G526-V528 PolarHBondContact O-N 2.61Å
529	G	77	Confident	73.6	Confident	45 Å²	45	72.7 Å²	72.7	46%	0.464	40%	0.395	S	S	.	.	S	Bend	trans	93.7	-175.9	173.1	0	0	0	0	0	114.8	I527	I527-G529 PolarHBondContact O-N 2.67Å
530	N	85.9	Confident	75.2	Confident	105 Å²	105	65 Å²	65	56%	0.561	36%	0.362	S	S	*	.	S	Bend	trans	-104.4	8.8	-171.8	63.4	-9	0	0	0	113.4	K502 L503	K502-N530 WeakPolarHBondContact CA-O 3.47Å; L503-N530 PolarHBondContact N-O 3.04Å
531	K	89.9	Confident	77.1	Confident	145 Å²	145	62.2 Å²	62.2	63%	0.63	35%	0.348	S	S	*	.	B	Isolated β-bridge	trans	-91.4	136.6	-172.9	-173	-177.9	175.6	-171.1	0	111.4	E533 N585	K531-E533 PolarHBondContact O-N 2.89Å; K531-N585 PolarHBondContact O-ND2 2.86Å
532	L	92.7	Very high	79.3	Confident	16 Å²	16	53.2 Å²	53.2	8%	0.084	31%	0.306	C	S	.	.			trans	-75.8	115.3	165.9	-176.3	63.8	0	0	0	109.5	L498 L503 C535 I584 V604 F605	L498-L532 HydrophobicContact CD2-CD2 3.95Å; L503-L532 HydrophobicContact CD1-CB 4.22Å; L503-L532 HydrophobicContact CD1-CD1 4.35Å; L532-C535 HydrophobicContact CD1-CB 4.04Å; L532-I584 HydrophobicContact CD1-CD1 3.79Å; L532-I584 HydrophobicContact CD1-CG1 3.8Å; L532-V604 HydrophobicContact CD1-CG1 4.22Å; L532-V604 HydrophobicContact CD2-CG1 4.19Å; L532-F605 HydrophobicContact CD2-CE1 3.74Å; L532-F605 HydrophobicContact CD2-CZ 3.88Å
533	E	92.4	Very high	81.5	Confident	105 Å²	105	51.4 Å²	51.4	49%	0.491	30%	0.295	S	S	.	.			trans	-101.7	-41.2	179.5	-60.5	-172.6	161.4	0	0	111.9	L467 P468 K531 N585	L467-E533 CarbonylContact C-O 3.55Å; P468-E533 WeakPolarHBondContact CA-O 3.16Å; K531-E533 PolarHBondContact O-N 2.89Å; E533-N585 WeakPolarHBondContact CA-OD1 3.37Å; E533-N585 PolarHBondContact N-OD1 2.81Å
534	S	95.1	Very high	83.8	Confident	8 Å²	8	43.7 Å²	43.7	6%	0.056	26%	0.258	C	S	.	.			trans	-154.3	147.4	178.4	57	0	0	0	0	111.3	I466 I584 N585	I466-S534 WeakPolarHBondContact O-CA 3.49Å; I466-S534 VanDerWaalsContact O-CB 3.25Å; I466-S534 WeakPolarHBondContact O-CB 3.25Å; S534-I584 CarbonylContact O-C 3.48Å; S534-I584 WeakPolarHBondContact O-CA 3.48Å; S534-N585 PolarHBondContact N-OD1 3.45Å; S534-N585 PolarHBondContact O-N 3.48Å; S534-N585 PolarHBondContact O-OD1 2.91Å
535	C	96.7	Very high	86.3	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	165.5	175.7	66.3	0	0	0	0	112.6	H465 I466 L532 F583	H465-C535 WeakPolarHBondContact CA-O 3.43Å; I466-C535 WeakPolarHBondContact CG1-SG 3.42Å; I466-C535 PolarHBondContact N-O 3.06Å; I466-C535 PolarHBondContact O-N 2.88Å; L532-C535 HydrophobicContact CD1-CB 4.04Å; C535-F583 CarbonylContact C-O 3.52Å; C535-F583 WeakPolarHBondContact CA-O 3.31Å; C535-F583 VanDerWaalsContact CB-O 3.31Å; C535-F583 WeakPolarHBondContact CB-O 3.38Å
536	I	98	Very high	88.6	Confident	0 Å²	0	40 Å²	40	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	118.9	169.3	-56.3	174.7	0	0	0	107.5	I422 P424 Q463 I464 L582 F583	I422-I536 HydrophobicContact CG2-CD1 3.39Å; P424-I536 HydrophobicContact CG-CG1 4.44Å; Q463-I536 HydrophobicContact CG-CG2 3.71Å; I464-I536 WeakPolarHBondContact O-CA 3.11Å; I536-L582 HydrophobicContact CB-CB 4.35Å; I536-L582 HydrophobicContact CG2-CB 4.28Å; I536-L582 HydrophobicContact CG2-CD1 4.2Å; I536-L582 HydrophobicContact CG2-CG 4.5Å; I536-L582 PolarHBondContact O-N 3Å; I536-F583 HydrophobicContact CB-CB 4.02Å; I536-F583 HydrophobicContact CD1-CB 3.93Å; I536-F583 HydrophobicContact CD1-CG 4.36Å; I536-F583 HydrophobicContact CG1-CB 3.94Å; I536-F583 HydrophobicContact CG1-CD1 4.37Å; I536-F583 HydrophobicContact CG1-CG 4.46Å; I536-F583 PolarHBondContact N-O 3.02Å
537	I	97.9	Very high	90.3	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	144.3	177.5	59.6	-178.4	0	0	0	110.3	Q463 I464 V578 D580 I581 L601 F605 F612	Q463-I537 CarbonylContact C-O 3.47Å; Q463-I537 WeakPolarHBondContact CA-O 3.45Å; I464-I537 HydrophobicContact CB-CD1 4.06Å; I464-I537 HydrophobicContact CB-CG1 3.67Å; I464-I537 HydrophobicContact CD1-CD1 4.22Å; I464-I537 HydrophobicContact CD1-CG1 4.48Å; I464-I537 HydrophobicContact CG1-CG1 4.42Å; I464-I537 HydrophobicContact CG2-CD1 4.46Å; I464-I537 HydrophobicContact CG2-CG1 4.44Å; I464-I537 PolarHBondContact N-O 3.06Å; I464-I537 PolarHBondContact O-N 2.89Å; I537-V578 HydrophobicContact CD1-CG1 3.88Å; I537-D580 WeakPolarHBondContact CA-O 3.5Å; I537-I581 HydrophobicContact CG2-CB 4.27Å; I537-I581 HydrophobicContact CG2-CD1 4.48Å; I537-I581 HydrophobicContact CG2-CG1 4.04Å; I537-L601 HydrophobicContact CG2-CD1 3.98Å; I537-F605 HydrophobicContact CG2-CE2 3.76Å; I537-F605 HydrophobicContact CG2-CZ 3.88Å; I537-F612 HydrophobicContact CD1-CE2 4.16Å; I537-F612 HydrophobicContact CD1-CZ 4.08Å
538	D	97.9	Very high	91.6	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	132.8	174.8	-152.8	-10.4	0	0	0	108.7	R461 F579 D580 Y652	R461-D538 IonicContact CZ-OD1 3.4Å; R461-D538 IonicContact CZ-OD2 2.9Å; R461-D538 IonicContact NE-OD1 3.25Å; R461-D538 PolarHBondContact NE-OD1 3.02Å; R461-D538 IonicContact NE-OD2 3.88Å; R461-D538 PolarHBondContact NE-OD2 3.38Å; R461-D538 IonicContact NH2-OD1 2.74Å; R461-D538 IonicContact NH2-OD2 3.44Å; R461-D538 PolarHBondContact NH2-OD2 3.37Å; D538-F579 HydrophobicContact CB-CD2 4.32Å; D538-F579 HydrophobicContact CB-CE2 3.61Å; D538-F579 HydrophobicContact CB-CZ 3.84Å; D538-F579 VanDerWaalsContact CG-CE2 3.41Å; D538-F579 PolarHBondContact O-N 2.92Å; D538-F579 VanDerWaalsContact OD1-CZ 3.25Å; D538-F579 WeakPolarHBondContact OD1-CZ 3.3Å; D538-D580 HydrophobicContact CB-CB 3.82Å; D538-D580 PolarHBondContact N-O 3.49Å; D538-D580 PolarHBondContact O-N 3.23Å; D538-Y652 PolarHBondContact OD2-OH 3.49Å
539	S	98.1	Very high	93.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	165.2	-168.8	70.3	0	0	0	0	112.6	R461 A462 Y577 F579	R461-S539 WeakPolarHBondContact CA-O 3.42Å; A462-S539 PolarHBondContact N-O 2.91Å; A462-S539 PolarHBondContact O-N 3.27Å; A462-S539 PolarHBondContact O-OG 3Å; S539-Y577 CarbonylContact C-O 3.45Å; S539-Y577 WeakPolarHBondContact CA-O 3.46Å; S539-Y577 WeakPolarHBondContact CB-O 3.5Å; S539-F579 VanDerWaalsContact CA-CE1 3.48Å
540	E	97.9	Very high	93.9	Very high	31 Å²	31	42.4 Å²	42.4	15%	0.145	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	131	168.7	-160.3	79.1	-173.4	0	0	110	Y457 G459 E460 R461 V542 I576 Y577	Y457-E540 HydrophobicContact CD2-CB 4.34Å; G459-E540 VanDerWaalsContact CA-OE1 3.28Å; G459-E540 WeakPolarHBondContact CA-OE1 3.37Å; G459-E540 PolarHBondContact N-OE1 3.1Å; E460-E540 VanDerWaalsContact C-OE1 3.32Å; E460-E540 PolarHBondContact N-OE1 3.41Å; R461-E540 VanDerWaalsContact CA-OE2 3.3Å; R461-E540 WeakPolarHBondContact CA-OE2 3.31Å; R461-E540 PolarHBondContact N-OE1 2.93Å; R461-E540 PolarHBondContact N-OE2 3.43Å; E540-V542 HydrophobicContact CG-CG1 4.36Å; E540-I576 WeakPolarHBondContact O-CA 3.42Å; E540-Y577 PolarHBondContact N-O 2.95Å; E540-Y577 PolarHBondContact O-N 3.39Å
541	V	97.4	Very high	94.2	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	124.2	170.3	-179.3	0	0	0	0	108.8	G459 E460 A462 Y486 I489 L557 I574 I576	G459-V541 CarbonylContact C-O 3.5Å; G459-V541 WeakPolarHBondContact CA-O 3.17Å; E460-V541 PolarHBondContact N-O 3.08Å; E460-V541 PolarHBondContact O-N 2.85Å; A462-V541 HydrophobicContact CB-CG2 3.56Å; Y486-V541 HydrophobicContact CD1-CG1 4.46Å; Y486-V541 HydrophobicContact CE1-CG1 3.76Å; I489-V541 HydrophobicContact CD1-CG2 3.92Å; V541-L557 HydrophobicContact CG1-CD1 4.43Å; V541-L557 VanDerWaalsContact O-CD2 3.22Å; V541-L557 WeakPolarHBondContact O-CD2 3.33Å; V541-I574 HydrophobicContact CG1-CB 3.92Å; V541-I574 HydrophobicContact CG1-CD1 3.86Å; V541-I574 HydrophobicContact CG1-CG2 3.84Å; V541-I576 HydrophobicContact CG2-CG1 4.38Å
542	V	96.8	Very high	94.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	154.8	176.1	-57.5	0	0	0	0	111	Y457 E540 W544 I551 I574 C575 Y577	Y457-V542 HydrophobicContact CG-CG1 4.48Å; E540-V542 HydrophobicContact CG-CG1 4.36Å; V542-W544 HydrophobicContact CG2-CE3 4.49Å; V542-I551 HydrophobicContact CB-CG2 4.04Å; V542-I551 HydrophobicContact CG1-CG2 4.45Å; V542-I551 HydrophobicContact CG2-CG1 4.25Å; V542-I551 HydrophobicContact CG2-CG2 4.22Å; V542-I574 CarbonylContact O-C 3.55Å; V542-I574 WeakPolarHBondContact O-CA 3.08Å; V542-I574 VanDerWaalsContact O-CB 3.32Å; V542-I574 WeakPolarHBondContact O-CB 3.36Å; V542-I574 WeakPolarHBondContact O-CG2 3.24Å; V542-C575 HydrophobicContact CG2-CB 3.97Å; V542-C575 PolarHBondContact N-O 3.25Å; V542-C575 PolarHBondContact O-N 3.13Å; V542-Y577 HydrophobicContact CG1-CD2 4.24Å; V542-Y577 HydrophobicContact CG2-CD2 3.91Å; V542-Y577 HydrophobicContact CG2-CE2 3.64Å
543	A	95.1	Very high	94.1	Very high	1 Å²	1	32 Å²	32	1%	0.008	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	138.5	164.8	0	0	0	0	0	109.2	L552 V556 L557 V572 Q573	A543-L552 HydrophobicContact CB-CB 3.81Å; A543-L552 PolarHBondContact O-N 3.24Å; A543-V556 HydrophobicContact CB-CB 4.12Å; A543-V556 HydrophobicContact CB-CG1 4.19Å; A543-L557 HydrophobicContact CB-CB 3.96Å; A543-V572 HydrophobicContact CB-CG1 3.96Å; A543-Q573 WeakPolarHBondContact CA-O 3.42Å
544	W	95.1	Very high	94	Very high	24 Å²	24	29.9 Å²	29.9	9%	0.091	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	136.9	-172.4	-173.4	-94.4	0	0	0	111.1	V542 G549 I551 Q573 C575 Y577 M613	V542-W544 HydrophobicContact CG2-CE3 4.49Å; W544-G549 VanDerWaalsContact CH2-O 3.31Å; W544-G549 WeakPolarHBondContact CH2-O 3.4Å; W544-G549 VanDerWaalsContact CZ2-O 3.25Å; W544-G549 WeakPolarHBondContact CZ2-O 3.3Å; W544-I551 HydrophobicContact CE3-CG1 3.8Å; W544-I551 HydrophobicContact CZ3-CG1 3.53Å; W544-Q573 PolarHBondContact N-O 2.88Å; W544-Q573 WeakPolarHBondContact O-CB 3.35Å; W544-C575 HydrophobicContact CB-CB 3.88Å; W544-C575 HydrophobicContact CD2-CB 4.01Å; W544-C575 HydrophobicContact CE3-CB 4Å; W544-C575 HydrophobicContact CG-CB 3.97Å; W544-Y577 WeakPolarHBondContact CZ3-OH 3.46Å; W544-M613 HydrophobicContact CH2-CE 3.83Å; W544-M613 HydrophobicContact CZ2-CE 4.23Å; W544-M613 HydrophobicContact CZ3-CE 3.99Å
545	D	93.6	Very high	93.4	Very high	44 Å²	44	32.1 Å²	32.1	24%	0.235	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	109.6	169	-170.9	-31.5	0	0	0	109.4	L547 A548 G549 H550 L552	D545-L547 VanDerWaalsContact C-N 3.31Å; D545-L547 PolarHBondContact O-N 3.16Å; D545-L547 WeakPolarHBondContact OD1-CB 3.46Å; D545-L547 PolarHBondContact OD1-N 3.36Å; D545-A548 HydrophobicContact CB-CB 4.12Å; D545-A548 PolarHBondContact OD1-N 3.26Å; D545-G549 WeakPolarHBondContact O-CA 3.34Å; D545-G549 PolarHBondContact O-N 3.17Å; D545-H550 PolarHBondContact N-O 2.68Å; D545-L552 HydrophobicContact CB-CD1 4.19Å; D545-L552 HydrophobicContact CB-CD2 4.07Å; D545-L552 HydrophobicContact CB-CG 4.04Å
546	R	89.5	Confident	93.1	Very high	114 Å²	114	34.3 Å²	34.3	43%	0.43	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-23.2	-179.6	-72.5	-174	-170.2	-136.2	-1.6	114	Q573 E611	R546-Q573 VanDerWaalsContact CB-OE1 3.29Å; R546-E611 VanDerWaalsContact CZ-CD 3.5Å; R546-E611 IonicContact CZ-OE1 3.49Å; R546-E611 IonicContact CZ-OE2 3.89Å; R546-E611 IonicContact NH1-OE1 3.43Å; R546-E611 PolarHBondContact NH1-OE1 3.24Å; R546-E611 VanDerWaalsContact NH1-OE1 3.16Å; R546-E611 IonicContact NH1-OE2 3.68Å; R546-E611 PolarHBondContact NH1-OE2 3.34Å; R546-E611 IonicContact NH2-OE1 2.69Å; R546-E611 IonicContact NH2-OE2 3.57Å; R546-E611 PolarHBondContact NH2-OE2 3.03Å
547	L	89.2	Confident	92.7	Very high	175 Å²	175	34.3 Å²	34.3	92%	0.916	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-47.6	178.8	-64.5	176.1	0	0	0	110.1	D545	D545-L547 VanDerWaalsContact C-N 3.31Å; D545-L547 PolarHBondContact O-N 3.16Å; D545-L547 WeakPolarHBondContact OD1-CB 3.46Å; D545-L547 PolarHBondContact OD1-N 3.36Å
548	A	88.9	Confident	92.1	Very high	38 Å²	38	37.4 Å²	37.4	31%	0.314	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-9.6	-177.9	0	0	0	0	0	113.8	D545 H550 N828	D545-A548 HydrophobicContact CB-CB 4.12Å; D545-A548 PolarHBondContact OD1-N 3.26Å; A548-H550 WeakPolarHBondContact CB-CE1 3.48Å; A548-H550 WeakPolarHBondContact CB-ND1 3.5Å; A548-H550 PolarHBondContact O-N 2.87Å; A548-H550 PolarHBondContact O-ND1 3.23Å; A548-N828 WeakPolarHBondContact CB-ND2 3.36Å
549	G	91.3	Very high	91.6	Very high	46 Å²	46	42.1 Å²	42.1	47%	0.474	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	33.1	173.3	0	0	0	0	0	114.9	W544 D545	W544-G549 VanDerWaalsContact CH2-O 3.31Å; W544-G549 WeakPolarHBondContact CH2-O 3.4Å; W544-G549 VanDerWaalsContact CZ2-O 3.25Å; W544-G549 WeakPolarHBondContact CZ2-O 3.3Å; D545-G549 WeakPolarHBondContact O-CA 3.34Å; D545-G549 PolarHBondContact O-N 3.17Å
550	H	91.6	Very high	91	Very high	37 Å²	37	43 Å²	43	17%	0.171	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	166	-178.4	72.7	-81.5	0	0	0	113.5	D545 A548	D545-H550 PolarHBondContact N-O 2.68Å; A548-H550 WeakPolarHBondContact CB-CE1 3.48Å; A548-H550 WeakPolarHBondContact CB-ND1 3.5Å; A548-H550 PolarHBondContact O-N 2.87Å; A548-H550 PolarHBondContact O-ND1 3.23Å
551	I	94.1	Very high	90.3	Very high	7 Å²	7	47.7 Å²	47.7	4%	0.036	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	129	178.7	-57.6	-179.2	0	0	0	110.1	Y457 V542 W544 Y577 N637	Y457-I551 HydrophobicContact CD1-CD1 3.67Å; Y457-I551 HydrophobicContact CE1-CD1 3.98Å; V542-I551 HydrophobicContact CB-CG2 4.04Å; V542-I551 HydrophobicContact CG1-CG2 4.45Å; V542-I551 HydrophobicContact CG2-CG1 4.25Å; V542-I551 HydrophobicContact CG2-CG2 4.22Å; W544-I551 HydrophobicContact CE3-CG1 3.8Å; W544-I551 HydrophobicContact CZ3-CG1 3.53Å; I551-Y577 HydrophobicContact CD1-CE2 3.93Å; I551-Y577 HydrophobicContact CG1-CE2 4.35Å; I551-N637 HydrophobicContact CB-CB 4.38Å; I551-N637 PolarHBondContact O-ND2 3.04Å
552	L	91.8	Very high	89.4	Confident	31 Å²	31	57.3 Å²	57.3	16%	0.162	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-87	156.1	172.9	-68.7	172.5	0	0	0	111.3	A543 D545 V556	A543-L552 HydrophobicContact CB-CB 3.81Å; A543-L552 PolarHBondContact O-N 3.24Å; D545-L552 HydrophobicContact CB-CD1 4.19Å; D545-L552 HydrophobicContact CB-CD2 4.07Å; D545-L552 HydrophobicContact CB-CG 4.04Å; L552-V556 HydrophobicContact CB-CB 4.39Å; L552-V556 HydrophobicContact CB-CG2 4.31Å; L552-V556 HydrophobicContact CD1-CG1 4.23Å
553	P	88.3	Confident	88.6	Confident	10 Å²	10	60.7 Å²	60.7	7%	0.065	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-57	144.7	178.3	-21.6	29.9	0	0	0	113	Q555 V556	P553-Q555 VanDerWaalsContact CB-OE1 3.29Å; P553-Q555 PolarHBondContact O-N 3.18Å; P553-V556 VanDerWaalsContact O-CB 3.32Å; P553-V556 WeakPolarHBondContact O-CB 3.46Å; P553-V556 PolarHBondContact O-N 2.68Å
554	F	89.1	Confident	87.8	Confident	60 Å²	60	66 Å²	66	26%	0.263	34%	0.336	S	S	.	.	H	α-helix	trans	-51.9	-30.9	179.4	176	-98.1	0	0	0	113.9	G459 E460 V556 L557 S558	G459-F554 WeakPolarHBondContact O-CE2 3.33Å; E460-F554 HydrophobicContact CG-CE2 3.72Å; E460-F554 HydrophobicContact CG-CZ 4.29Å; F554-V556 PolarHBondContact O-N 3.36Å; F554-L557 HydrophobicContact CD2-CD2 4.34Å; F554-L557 HydrophobicContact CE2-CD2 4.35Å; F554-L557 WeakPolarHBondContact O-CA 3.46Å; F554-L557 WeakPolarHBondContact O-CB 3.36Å; F554-L557 PolarHBondContact O-N 3.07Å; F554-S558 PolarHBondContact O-N 3.35Å
555	Q	84	Confident	87.1	Confident	56 Å²	56	65.7 Å²	65.7	26%	0.262	34%	0.337	S	S	.	.	H	α-helix	trans	-57.9	-36.1	177.4	-65.6	83.5	-10.3	0	0	111.6	P553 S558 T559 S769	P553-Q555 VanDerWaalsContact CB-OE1 3.29Å; P553-Q555 PolarHBondContact O-N 3.18Å; Q555-S558 WeakPolarHBondContact CA-OG 3.43Å; Q555-S558 PolarHBondContact O-N 2.76Å; Q555-S558 PolarHBondContact O-OG 2.89Å; Q555-T559 WeakPolarHBondContact O-CG2 3.45Å; Q555-T559 PolarHBondContact O-N 2.88Å; Q555-S769 VanDerWaalsContact NE2-CB 3.32Å
556	V	89	Confident	86.5	Confident	46 Å²	46	68 Å²	68	28%	0.279	35%	0.35	S	S	.	.	H	α-helix	trans	-61.7	-48.1	175.1	-176.9	0	0	0	0	109.7	A543 L552 P553 F554 S558 T559 V572	A543-V556 HydrophobicContact CB-CB 4.12Å; A543-V556 HydrophobicContact CB-CG1 4.19Å; L552-V556 HydrophobicContact CB-CB 4.39Å; L552-V556 HydrophobicContact CB-CG2 4.31Å; L552-V556 HydrophobicContact CD1-CG1 4.23Å; P553-V556 VanDerWaalsContact O-CB 3.32Å; P553-V556 WeakPolarHBondContact O-CB 3.46Å; P553-V556 PolarHBondContact O-N 2.68Å; F554-V556 PolarHBondContact O-N 3.36Å; V556-S558 VanDerWaalsContact C-N 3.28Å; V556-S558 PolarHBondContact O-N 2.98Å; V556-T559 WeakPolarHBondContact O-CB 3.42Å; V556-T559 PolarHBondContact O-N 2.81Å; V556-T559 PolarHBondContact O-OG1 3.44Å; V556-V572 HydrophobicContact CG1-CG1 3.94Å; V556-V572 HydrophobicContact CG1-CG2 3.89Å
557	L	89.9	Confident	86	Confident	0 Å²	0	66 Å²	66	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-59.1	-40.9	175.2	-172.5	60.6	0	0	0	111.7	E460 V541 A543 F554 T559 R560 I574	E460-L557 HydrophobicContact CB-CD2 4.23Å; E460-L557 HydrophobicContact CG-CD2 3.84Å; V541-L557 HydrophobicContact CG1-CD1 4.43Å; V541-L557 VanDerWaalsContact O-CD2 3.22Å; V541-L557 WeakPolarHBondContact O-CD2 3.33Å; A543-L557 HydrophobicContact CB-CB 3.96Å; F554-L557 HydrophobicContact CD2-CD2 4.34Å; F554-L557 HydrophobicContact CE2-CD2 4.35Å; F554-L557 WeakPolarHBondContact O-CA 3.46Å; F554-L557 WeakPolarHBondContact O-CB 3.36Å; F554-L557 PolarHBondContact O-N 3.07Å; L557-T559 PolarHBondContact O-N 3.41Å; L557-T559 VanDerWaalsContact O-N 3.16Å; L557-R560 WeakPolarHBondContact O-CB 3.2Å; L557-R560 PolarHBondContact O-N 3.32Å; L557-R560 VanDerWaalsContact O-N 3.08Å; L557-I574 HydrophobicContact CD1-CG2 3.79Å
558	S	86.2	Confident	85.5	Confident	64 Å²	64	62.4 Å²	62.4	45%	0.448	34%	0.335	S	S	.	.	H	α-helix	trans	-65.1	-17.4	-179.2	85.4	0	0	0	0	114.4	F554 Q555 V556 R560	F554-S558 PolarHBondContact O-N 3.35Å; Q555-S558 WeakPolarHBondContact CA-OG 3.43Å; Q555-S558 PolarHBondContact O-N 2.76Å; Q555-S558 PolarHBondContact O-OG 2.89Å; V556-S558 VanDerWaalsContact C-N 3.28Å; V556-S558 PolarHBondContact O-N 2.98Å; S558-R560 VanDerWaalsContact C-N 3.26Å; S558-R560 PolarHBondContact O-N 2.76Å
559	T	86.6	Confident	85	Confident	101 Å²	101	64.8 Å²	64.8	62%	0.62	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-16.2	174.9	69.3	0	0	0	0	113.2	Q555 V556 L557	Q555-T559 WeakPolarHBondContact O-CG2 3.45Å; Q555-T559 PolarHBondContact O-N 2.88Å; V556-T559 WeakPolarHBondContact O-CB 3.42Å; V556-T559 PolarHBondContact O-N 2.81Å; V556-T559 PolarHBondContact O-OG1 3.44Å; L557-T559 PolarHBondContact O-N 3.41Å; L557-T559 VanDerWaalsContact O-N 3.16Å
560	R	86	Confident	84.5	Confident	17 Å²	17	64.9 Å²	64.9	6%	0.064	34%	0.335	C	S	.	.	S	Bend	trans	-59.4	139.5	175.5	-74.4	-168.6	167.1	-150.4	0.2	110.5	D488 L557 S558 V572 I574	D488-R560 IonicContact OD1-NH1 2.82Å; D488-R560 PolarHBondContact OD1-NH1 2.87Å; D488-R560 IonicContact OD2-CZ 3.29Å; D488-R560 IonicContact OD2-NH1 3.17Å; D488-R560 PolarHBondContact OD2-NH1 2.8Å; D488-R560 IonicContact OD2-NH2 2.75Å; D488-R560 PolarHBondContact OD2-NH2 3.09Å; L557-R560 WeakPolarHBondContact O-CB 3.2Å; L557-R560 PolarHBondContact O-N 3.32Å; L557-R560 VanDerWaalsContact O-N 3.08Å; S558-R560 VanDerWaalsContact C-N 3.26Å; S558-R560 PolarHBondContact O-N 2.76Å; R560-V572 HydrophobicContact CG-CB 4.11Å; R560-V572 HydrophobicContact CG-CG1 4.44Å; R560-V572 HydrophobicContact CG-CG2 4.37Å; R560-V572 PolarHBondContact NE-O 3.11Å; R560-V572 PolarHBondContact NH2-O 3.27Å; R560-I574 VanDerWaalsContact CZ-CG2 3.47Å; R560-I574 VanDerWaalsContact NH2-CG2 3.33Å
561	K	82.3	Confident	84.2	Confident	131 Å²	131	72.8 Å²	72.8	57%	0.57	37%	0.369	S	S	*	.			trans	-62	141.8	174	179.8	-170.6	-179.2	-161.1	0	108.9	K563 D564 V565	K561-K563 WeakPolarHBondContact CD-O 3.45Å; K561-K563 WeakPolarHBondContact CE-O 3.46Å; K561-K563 WeakPolarHBondContact CG-O 3.45Å; K561-D564 PolarHBondContact NZ-O 3.14Å; K561-V565 HydrophobicContact CB-CG2 3.95Å; K561-V565 HydrophobicContact CG-CG2 4.4Å; K561-V565 WeakPolarHBondContact O-CG2 3.42Å
562	R	78.6	Confident	83.9	Confident	202 Å²	202	73.3 Å²	73.3	76%	0.762	37%	0.373	S	S	*	.	S	Bend	trans	-77.1	-26.6	-168.2	-65.8	-179.4	179.7	172.9	-3.2	115.2
563	K	79.8	Confident	83.9	Confident	70 Å²	70	76.2 Å²	76.2	30%	0.304	39%	0.385	S	S	.	.	S	Bend	trans	-151	154	-176.4	-68.3	-173.1	173.9	179.2	0	109.1	E234 K561 V565	E234-K563 IonicContact OE1-NZ 3.65Å; E234-K563 PolarHBondContact OE1-NZ 2.87Å; K561-K563 WeakPolarHBondContact CD-O 3.45Å; K561-K563 WeakPolarHBondContact CE-O 3.46Å; K561-K563 WeakPolarHBondContact CG-O 3.45Å; K563-V565 PolarHBondContact O-N 3.4Å
564	D	78.8	Confident	84.3	Confident	112 Å²	112	76.1 Å²	76.1	60%	0.599	38%	0.384	S	S	*	.	S	Bend	trans	51.2	55.9	174.3	-47.2	-42.6	0	0	0	112	T484 K561	T484-D564 PolarHBondContact OG1-N 2.92Å; K561-D564 PolarHBondContact NZ-O 3.14Å
565	V	81	Confident	84.7	Confident	18 Å²	18	73.2 Å²	73.2	11%	0.109	37%	0.372	C	S	.	.			trans	-83.9	129.4	-179.9	-171.5	0	0	0	0	108.8	T484 P487 K561 K563 L570	T484-V565 PolarHBondContact O-N 2.79Å; P487-V565 HydrophobicContact CG-CB 4.37Å; K561-V565 HydrophobicContact CB-CG2 3.95Å; K561-V565 HydrophobicContact CG-CG2 4.4Å; K561-V565 WeakPolarHBondContact O-CG2 3.42Å; K563-V565 PolarHBondContact O-N 3.4Å; V565-L570 HydrophobicContact CG1-CD2 3.53Å; V565-L570 HydrophobicContact CG1-CG 4.32Å
566	D	80.5	Confident	85.3	Confident	94 Å²	94	70.6 Å²	70.6	50%	0.503	36%	0.359	S	S	.	.			trans	-83.1	126.7	169.6	-177.8	4.6	0	0	0	108.7	S568 T569	D566-S568 PolarHBondContact O-N 2.78Å; D566-S568 PolarHBondContact OD1-N 3.47Å; D566-S568 PolarHBondContact OD1-OG 2.83Å; D566-S568 PolarHBondContact OD2-OG 3.38Å; D566-T569 HydrophobicContact CB-CG2 4.2Å; D566-T569 PolarHBondContact O-N 2.9Å; D566-T569 PolarHBondContact O-OG1 2.86Å
567	E	78.3	Confident	85.7	Confident	70 Å²	70	69.1 Å²	69.1	33%	0.327	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-57.5	-35.9	-178.4	-160.1	-176.3	124.5	0	0	112.1	P487 N491 N492 T569 L570	P487-E567 HydrophobicContact CB-CB 4.43Å; P487-E567 HydrophobicContact CG-CB 4.31Å; N491-E567 PolarHBondContact ND2-OE2 2.93Å; N491-E567 VanDerWaalsContact ND2-OE2 3.12Å; N492-E567 VanDerWaalsContact ND2-CD 3.28Å; N492-E567 PolarHBondContact ND2-OE1 3.29Å; E567-T569 PolarHBondContact O-N 2.89Å; E567-T569 VanDerWaalsContact O-N 3.08Å; E567-L570 HydrophobicContact CG-CD1 4.04Å; E567-L570 WeakPolarHBondContact O-CB 3.36Å; E567-L570 WeakPolarHBondContact O-CG 3.23Å; E567-L570 PolarHBondContact O-N 2.95Å; E567-L570 VanDerWaalsContact O-N 3.16Å
568	S	78.4	Confident	86.1	Confident	101 Å²	101	69.1 Å²	69.1	71%	0.706	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-62.8	-18.5	178.6	75.3	0	0	0	0	113.7	D566	D566-S568 PolarHBondContact O-N 2.78Å; D566-S568 PolarHBondContact OD1-N 3.47Å; D566-S568 PolarHBondContact OD1-OG 2.83Å; D566-S568 PolarHBondContact OD2-OG 3.38Å
569	T	79.1	Confident	86.7	Confident	88 Å²	88	67.1 Å²	67.1	54%	0.54	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-99.6	1.1	-177.2	68.8	0	0	0	0	113.7	D566 E567 K571	D566-T569 HydrophobicContact CB-CG2 4.2Å; D566-T569 PolarHBondContact O-N 2.9Å; D566-T569 PolarHBondContact O-OG1 2.86Å; E567-T569 PolarHBondContact O-N 2.89Å; E567-T569 VanDerWaalsContact O-N 3.08Å; T569-K571 PolarHBondContact O-N 2.85Å; T569-K571 VanDerWaalsContact O-N 3.1Å
570	L	81.7	Confident	87.2	Confident	47 Å²	47	62.3 Å²	62.3	25%	0.246	30%	0.303	C	S	.	.			trans	-73	101.9	-176.3	-69.6	177.3	0	0	0	111.8	P487 D488 V565 E567	P487-L570 HydrophobicContact CG-CD1 4.22Å; D488-L570 HydrophobicContact CB-CD1 3.66Å; V565-L570 HydrophobicContact CG1-CD2 3.53Å; V565-L570 HydrophobicContact CG1-CG 4.32Å; E567-L570 HydrophobicContact CG-CD1 4.04Å; E567-L570 WeakPolarHBondContact O-CB 3.36Å; E567-L570 WeakPolarHBondContact O-CG 3.23Å; E567-L570 PolarHBondContact O-N 2.95Å; E567-L570 VanDerWaalsContact O-N 3.16Å
571	K	84.2	Confident	87.8	Confident	203 Å²	203	61.5 Å²	61.5	88%	0.883	30%	0.3	S	S	*	.			trans	-86.4	-32.6	172.1	-63	-174.7	179	-173.9	0	113.4	T569	T569-K571 PolarHBondContact O-N 2.85Å; T569-K571 VanDerWaalsContact O-N 3.1Å
572	V	88.5	Confident	88.5	Confident	19 Å²	19	55.3 Å²	55.3	12%	0.115	27%	0.272	C	S	.	.	S	Bend	trans	-85.1	120.6	-178.3	177.4	0	0	0	0	107.4	A543 V556 R560	A543-V572 HydrophobicContact CB-CG1 3.96Å; V556-V572 HydrophobicContact CG1-CG1 3.94Å; V556-V572 HydrophobicContact CG1-CG2 3.89Å; R560-V572 HydrophobicContact CG-CB 4.11Å; R560-V572 HydrophobicContact CG-CG1 4.44Å; R560-V572 HydrophobicContact CG-CG2 4.37Å; R560-V572 PolarHBondContact NE-O 3.11Å; R560-V572 PolarHBondContact NH2-O 3.27Å
573	Q	92.5	Very high	89.3	Confident	91 Å²	91	46.4 Å²	46.4	43%	0.425	24%	0.239	S	C	.	.			trans	-86	154.7	170	-68.5	173	-22.9	0	0	109.9	A543 W544 R546	A543-Q573 WeakPolarHBondContact CA-O 3.42Å; W544-Q573 PolarHBondContact N-O 2.88Å; W544-Q573 WeakPolarHBondContact O-CB 3.35Å; R546-Q573 VanDerWaalsContact CB-OE1 3.29Å
574	I	95.3	Very high	90.1	Very high	8 Å²	8	43 Å²	43	4%	0.041	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	159.5	-178.4	56.6	144.8	0	0	0	112	Y486 D488 I489 V541 V542 L557 R560 I576	Y486-I574 HydrophobicContact CD1-CD1 4.37Å; D488-I574 WeakPolarHBondContact OD2-CG1 3.13Å; I489-I574 HydrophobicContact CD1-CD1 3.65Å; I489-I574 HydrophobicContact CG1-CD1 3.4Å; V541-I574 HydrophobicContact CG1-CB 3.92Å; V541-I574 HydrophobicContact CG1-CD1 3.86Å; V541-I574 HydrophobicContact CG1-CG2 3.84Å; V542-I574 CarbonylContact O-C 3.55Å; V542-I574 WeakPolarHBondContact O-CA 3.08Å; V542-I574 VanDerWaalsContact O-CB 3.32Å; V542-I574 WeakPolarHBondContact O-CB 3.36Å; V542-I574 WeakPolarHBondContact O-CG2 3.24Å; L557-I574 HydrophobicContact CD1-CG2 3.79Å; R560-I574 VanDerWaalsContact CZ-CG2 3.47Å; R560-I574 VanDerWaalsContact NH2-CG2 3.33Å; I574-I576 HydrophobicContact CD1-CG1 4.45Å
575	C	96.8	Very high	90.8	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	142.4	164.3	-176.2	0	0	0	0	109.4	V542 W544 Y577 G610 M613	V542-C575 HydrophobicContact CG2-CB 3.97Å; V542-C575 PolarHBondContact N-O 3.25Å; V542-C575 PolarHBondContact O-N 3.13Å; W544-C575 HydrophobicContact CB-CB 3.88Å; W544-C575 HydrophobicContact CD2-CB 4.01Å; W544-C575 HydrophobicContact CE3-CB 4Å; W544-C575 HydrophobicContact CG-CB 3.97Å; C575-Y577 HydrophobicContact CB-CE2 4.46Å; C575-G610 WeakPolarHBondContact CB-O 3.3Å; C575-G610 VanDerWaalsContact SG-C 3.55Å; C575-M613 WeakPolarHBondContact SG-CE 3.32Å
576	I	97.9	Very high	91.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	124.5	172.6	-54	-174	0	0	0	108.7	I464 I489 L493 E540 V541 I574 V578 E611 F612 M613	I464-I576 HydrophobicContact CD1-CD1 3.73Å; I464-I576 HydrophobicContact CD1-CG2 4.09Å; I489-I576 HydrophobicContact CB-CD1 4.43Å; I489-I576 HydrophobicContact CD1-CD1 3.68Å; I489-I576 HydrophobicContact CD1-CG1 4.22Å; I489-I576 HydrophobicContact CG1-CD1 3.88Å; I489-I576 HydrophobicContact CG2-CD1 3.76Å; L493-I576 HydrophobicContact CD2-CD1 3.45Å; L493-I576 VanDerWaalsContact CD2-CD1 3.45Å; L493-I576 HydrophobicContact CD2-CG1 3.84Å; E540-I576 WeakPolarHBondContact O-CA 3.42Å; V541-I576 HydrophobicContact CG2-CG1 4.38Å; I574-I576 HydrophobicContact CD1-CG1 4.45Å; I576-V578 HydrophobicContact CG2-CG1 3.95Å; I576-E611 PolarHBondContact N-O 2.98Å; I576-F612 HydrophobicContact CB-CD2 4.27Å; I576-F612 HydrophobicContact CD1-CD2 4.44Å; I576-F612 HydrophobicContact CG2-CD2 4.44Å; I576-M613 PolarHBondContact O-N 3.4Å
577	Y	98.2	Very high	91.9	Very high	15 Å²	15	36.1 Å²	36.1	6%	0.059	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	102.8	168.2	-73.2	-79.7	0	0	0	109.9	Y457 S539 E540 V542 W544 I551 C575 M613	Y457-Y577 AromaticContact CD1-CD2 3.77Å; Y457-Y577 HydrophobicContact CD1-CD2 3.77Å; Y457-Y577 AromaticContact CD1-CE2 3.89Å; Y457-Y577 HydrophobicContact CD1-CE2 3.89Å; Y457-Y577 HydrophobicContact CD1-CG 4.14Å; Y457-Y577 HydrophobicContact CD2-CD2 4.34Å; Y457-Y577 HydrophobicContact CD2-CG 4.09Å; Y457-Y577 AromaticContact CE1-CD1 3.77Å; Y457-Y577 HydrophobicContact CE1-CD1 3.77Å; Y457-Y577 AromaticContact CE1-CD2 3.67Å; Y457-Y577 HydrophobicContact CE1-CD2 3.67Å; Y457-Y577 AromaticContact CE1-CE1 3.74Å; Y457-Y577 HydrophobicContact CE1-CE1 3.74Å; Y457-Y577 AromaticContact CE1-CE2 3.64Å; Y457-Y577 HydrophobicContact CE1-CE2 3.64Å; Y457-Y577 AromaticContact CE1-CG 3.71Å; Y457-Y577 HydrophobicContact CE1-CG 3.71Å; Y457-Y577 AromaticContact CE1-CZ 3.65Å; Y457-Y577 AromaticContact CE2-CD1 3.93Å; Y457-Y577 HydrophobicContact CE2-CD1 3.93Å; Y457-Y577 HydrophobicContact CE2-CD2 4.27Å; Y457-Y577 AromaticContact CE2-CG 3.67Å; Y457-Y577 HydrophobicContact CE2-CG 3.67Å; Y457-Y577 HydrophobicContact CG-CD2 4.11Å; Y457-Y577 HydrophobicContact CG-CG 4.31Å; Y457-Y577 AromaticContact CZ-CD1 3.35Å; Y457-Y577 AromaticContact CZ-CD2 3.93Å; Y457-Y577 AromaticContact CZ-CE1 3.7Å; Y457-Y577 AromaticContact CZ-CG 3.45Å; Y457-Y577 VanDerWaalsContact CZ-CG 3.45Å; Y457-Y577 WeakPolarHBondContact OH-CD1 3.38Å; Y457-Y577 WeakPolarHBondContact OH-CE1 3.38Å; S539-Y577 CarbonylContact C-O 3.45Å; S539-Y577 WeakPolarHBondContact CA-O 3.46Å; S539-Y577 WeakPolarHBondContact CB-O 3.5Å; E540-Y577 PolarHBondContact N-O 2.95Å; E540-Y577 PolarHBondContact O-N 3.39Å; V542-Y577 HydrophobicContact CG1-CD2 4.24Å; V542-Y577 HydrophobicContact CG2-CD2 3.91Å; V542-Y577 HydrophobicContact CG2-CE2 3.64Å; W544-Y577 WeakPolarHBondContact CZ3-OH 3.46Å; I551-Y577 HydrophobicContact CD1-CE2 3.93Å; I551-Y577 HydrophobicContact CG1-CE2 4.35Å; C575-Y577 HydrophobicContact CB-CE2 4.46Å; Y577-M613 CarbonylContact C-O 3.52Å; Y577-M613 VanDerWaalsContact CA-O 3.29Å; Y577-M613 WeakPolarHBondContact CA-O 3.3Å; Y577-M613 HydrophobicContact CD1-CB 3.89Å; Y577-M613 HydrophobicContact CE1-CB 3.84Å; Y577-M613 HydrophobicContact CE1-CE 3.62Å; Y577-M613 HydrophobicContact CE1-SD 4.44Å; Y577-M613 HydrophobicContact CE2-CE 4.27Å; Y577-M613 VanDerWaalsContact CZ-CE 3.42Å; Y577-M613 WeakPolarHBondContact OH-CE 3.28Å
578	V	98.2	Very high	92.6	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.006	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	133.3	175.3	-60.9	0	0	0	0	110	I537 I576 L601 F612 M613 M614 A615	I537-V578 HydrophobicContact CD1-CG1 3.88Å; I576-V578 HydrophobicContact CG2-CG1 3.95Å; V578-L601 HydrophobicContact CB-CD1 4.38Å; V578-L601 HydrophobicContact CB-CD2 4.37Å; V578-L601 HydrophobicContact CG2-CD1 4.2Å; V578-L601 HydrophobicContact CG2-CD2 4.12Å; V578-L601 HydrophobicContact CG2-CG 4.36Å; V578-F612 HydrophobicContact CG1-CE1 4.13Å; V578-F612 HydrophobicContact CG1-CE2 3.75Å; V578-F612 HydrophobicContact CG1-CZ 3.5Å; V578-F612 HydrophobicContact CG2-CE1 4.12Å; V578-F612 HydrophobicContact CG2-CZ 4.26Å; V578-M613 WeakPolarHBondContact CG2-O 3.32Å; V578-M613 PolarHBondContact N-O 2.96Å; V578-M614 HydrophobicContact CG2-CE 3.82Å; V578-M614 HydrophobicContact CG2-CG 4.48Å; V578-M614 HydrophobicContact CG2-SD 3.39Å; V578-M614 WeakPolarHBondContact CG2-SD 3.39Å; V578-A615 PolarHBondContact O-N 3.25Å
579	F	97.7	Very high	93.5	Very high	22 Å²	22	29.9 Å²	29.9	10%	0.096	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	-4.9	-177.8	61.4	-105.2	0	0	0	113.3	D538 S539 A615 W661	D538-F579 HydrophobicContact CB-CD2 4.32Å; D538-F579 HydrophobicContact CB-CE2 3.61Å; D538-F579 HydrophobicContact CB-CZ 3.84Å; D538-F579 VanDerWaalsContact CG-CE2 3.41Å; D538-F579 PolarHBondContact O-N 2.92Å; D538-F579 VanDerWaalsContact OD1-CZ 3.25Å; D538-F579 WeakPolarHBondContact OD1-CZ 3.3Å; S539-F579 VanDerWaalsContact CA-CE1 3.48Å; F579-A615 HydrophobicContact CB-CB 3.79Å; F579-W661 HydrophobicContact CD2-CH2 4.18Å; F579-W661 AromaticContact CE2-CH2 3.83Å; F579-W661 HydrophobicContact CE2-CH2 3.83Å; F579-W661 HydrophobicContact CE2-CZ3 4.35Å
580	D	97.7	Very high	94.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	158.1	177.8	-139.4	-36.9	0	0	0	113.4	I537 D538 L582 R597	I537-D580 WeakPolarHBondContact CA-O 3.5Å; D538-D580 HydrophobicContact CB-CB 3.82Å; D538-D580 PolarHBondContact N-O 3.49Å; D538-D580 PolarHBondContact O-N 3.23Å; D580-L582 HydrophobicContact CB-CD2 4.38Å; D580-R597 IonicContact OD1-CZ 3.59Å; D580-R597 IonicContact OD1-NE 2.79Å; D580-R597 IonicContact OD1-NH1 3.47Å; D580-R597 PolarHBondContact OD1-NH1 3.35Å; D580-R597 IonicContact OD2-CZ 2.61Å; D580-R597 IonicContact OD2-NH1 2.67Å; D580-R597 PolarHBondContact OD2-NH1 3.35Å; D580-R597 IonicContact OD2-NH2 3.75Å
581	I	97.9	Very high	94.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	126.6	170.2	-171.3	173.4	0	0	0	109.4	I537 I584 L589 R597 I600 L601 F605	I537-I581 HydrophobicContact CG2-CB 4.27Å; I537-I581 HydrophobicContact CG2-CD1 4.48Å; I537-I581 HydrophobicContact CG2-CG1 4.04Å; I581-I584 HydrophobicContact CD1-CB 4.14Å; I581-I584 HydrophobicContact CD1-CD1 4.13Å; I581-L589 HydrophobicContact CB-CD1 4.5Å; I581-L589 HydrophobicContact CD1-CD1 4.38Å; I581-L589 HydrophobicContact CG1-CD1 4.15Å; I581-L589 HydrophobicContact CG2-CD1 3.78Å; I581-R597 HydrophobicContact CG2-CB 4.12Å; I581-R597 WeakPolarHBondContact CG2-O 3.38Å; I581-R597 WeakPolarHBondContact O-CD 3.46Å; I581-I600 HydrophobicContact CD1-CG2 4.2Å; I581-L601 HydrophobicContact CB-CB 4.22Å; I581-L601 HydrophobicContact CB-CD1 4.03Å; I581-L601 HydrophobicContact CG2-CB 3.9Å; I581-F605 HydrophobicContact CD1-CE2 4.22Å
582	L	97	Very high	95.2	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	-25.6	-171	-50.7	-175.6	0	0	0	112.6	L428 I536 D580 L589 I590 Y652	L428-L582 HydrophobicContact CD1-CB 4.25Å; L428-L582 HydrophobicContact CD1-CD1 3.7Å; I536-L582 HydrophobicContact CB-CB 4.35Å; I536-L582 HydrophobicContact CG2-CB 4.28Å; I536-L582 HydrophobicContact CG2-CD1 4.2Å; I536-L582 HydrophobicContact CG2-CG 4.5Å; I536-L582 PolarHBondContact O-N 3Å; D580-L582 HydrophobicContact CB-CD2 4.38Å; L582-L589 PolarHBondContact O-N 2.82Å; L582-I590 HydrophobicContact CB-CG2 4.16Å; L582-Y652 HydrophobicContact CD1-CE1 4.07Å; L582-Y652 HydrophobicContact CD1-CE2 4.27Å; L582-Y652 HydrophobicContact CD2-CD1 4.12Å; L582-Y652 HydrophobicContact CD2-CD2 3.37Å; L582-Y652 HydrophobicContact CD2-CE1 4.26Å; L582-Y652 HydrophobicContact CD2-CE2 3.5Å; L582-Y652 VanDerWaalsContact CD2-CE2 3.5Å; L582-Y652 HydrophobicContact CD2-CG 3.67Å
583	F	96.6	Very high	95.6	Very high	15 Å²	15	22.2 Å²	22.2	7%	0.066	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	142.7	-175.5	176.8	-87	0	0	0	110	I422 P424 C535 I536 G586 I587	I422-F583 HydrophobicContact CB-CD2 4.14Å; I422-F583 HydrophobicContact CG2-CB 3.95Å; I422-F583 HydrophobicContact CG2-CD2 3.9Å; I422-F583 HydrophobicContact CG2-CG 4.12Å; P424-F583 HydrophobicContact CG-CD1 3.69Å; P424-F583 HydrophobicContact CG-CE1 3.31Å; P424-F583 HydrophobicContact CG-CZ 4Å; C535-F583 CarbonylContact C-O 3.52Å; C535-F583 WeakPolarHBondContact CA-O 3.31Å; C535-F583 VanDerWaalsContact CB-O 3.31Å; C535-F583 WeakPolarHBondContact CB-O 3.38Å; I536-F583 HydrophobicContact CB-CB 4.02Å; I536-F583 HydrophobicContact CD1-CB 3.93Å; I536-F583 HydrophobicContact CD1-CG 4.36Å; I536-F583 HydrophobicContact CG1-CB 3.94Å; I536-F583 HydrophobicContact CG1-CD1 4.37Å; I536-F583 HydrophobicContact CG1-CG 4.46Å; I536-F583 PolarHBondContact N-O 3.02Å; F583-G586 VanDerWaalsContact CE2-C 3.49Å; F583-I587 VanDerWaalsContact CA-O 3.31Å; F583-I587 WeakPolarHBondContact CA-O 3.34Å; F583-I587 WeakPolarHBondContact CD2-O 3.49Å
584	I	95.9	Very high	95.9	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	129.2	174.4	-174.7	162.9	0	0	0	110.5	L503 L511 L532 S534 I581 G586 I587 L589 I600 V604	L503-I584 HydrophobicContact CD1-CD1 4.17Å; L503-I584 HydrophobicContact CG-CD1 4.4Å; L511-I584 HydrophobicContact CD1-CD1 4.49Å; L511-I584 HydrophobicContact CD1-CG2 4.05Å; L511-I584 HydrophobicContact CD2-CG2 3.49Å; L511-I584 VanDerWaalsContact CD2-CG2 3.49Å; L511-I584 HydrophobicContact CG-CG2 4.43Å; L532-I584 HydrophobicContact CD1-CD1 3.79Å; L532-I584 HydrophobicContact CD1-CG1 3.8Å; S534-I584 CarbonylContact O-C 3.48Å; S534-I584 WeakPolarHBondContact O-CA 3.48Å; I581-I584 HydrophobicContact CD1-CB 4.14Å; I581-I584 HydrophobicContact CD1-CD1 4.13Å; I584-G586 VanDerWaalsContact C-N 3.31Å; I584-G586 PolarHBondContact O-N 2.84Å; I584-G586 VanDerWaalsContact O-N 3.11Å; I584-I587 PolarHBondContact N-O 3.07Å; I584-I587 WeakPolarHBondContact O-CA 3.49Å; I584-I587 WeakPolarHBondContact O-CB 3.25Å; I584-I587 PolarHBondContact O-N 2.88Å; I584-L589 HydrophobicContact CG2-CD1 3.85Å; I584-L589 HydrophobicContact CG2-CG 4.29Å; I584-I600 HydrophobicContact CD1-CG2 4.41Å; I584-V604 HydrophobicContact CD1-CG1 4.16Å; I584-V604 HydrophobicContact CD1-CG2 3.89Å
585	N	93.6	Very high	96	Very high	30 Å²	30	22 Å²	22	16%	0.16	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.4	47	172.9	-67.9	1.4	0	0	0	114.9	K531 E533 S534 I587	K531-N585 PolarHBondContact O-ND2 2.86Å; E533-N585 WeakPolarHBondContact CA-OD1 3.37Å; E533-N585 PolarHBondContact N-OD1 2.81Å; S534-N585 PolarHBondContact N-OD1 3.45Å; S534-N585 PolarHBondContact O-N 3.48Å; S534-N585 PolarHBondContact O-OD1 2.91Å; N585-I587 VanDerWaalsContact C-N 3.33Å; N585-I587 PolarHBondContact O-N 3.5Å
586	G	91.2	Very high	96	Very high	45 Å²	45	23.9 Å²	23.9	46%	0.464	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.4	-10	-180	0	0	0	0	0	115.1	F583 I584	F583-G586 VanDerWaalsContact CE2-C 3.49Å; I584-G586 VanDerWaalsContact C-N 3.31Å; I584-G586 PolarHBondContact O-N 2.84Å; I584-G586 VanDerWaalsContact O-N 3.11Å
587	I	93.1	Very high	96	Very high	3 Å²	3	23.9 Å²	23.9	2%	0.015	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	123	-175.9	-56.1	168.2	0	0	0	109.4	L511 I514 V515 I527 F583 I584 N585 L589	L511-I587 HydrophobicContact CB-CD1 4Å; L511-I587 HydrophobicContact CD2-CD1 4.05Å; L511-I587 HydrophobicContact CD2-CG2 4.37Å; L511-I587 HydrophobicContact CG-CD1 4.48Å; I514-I587 HydrophobicContact CG2-CG2 3.86Å; V515-I587 HydrophobicContact CG2-CD1 3.56Å; V515-I587 HydrophobicContact CG2-CG1 3.88Å; I527-I587 HydrophobicContact CD1-CD1 3.97Å; I527-I587 HydrophobicContact CG1-CD1 3.96Å; F583-I587 VanDerWaalsContact CA-O 3.31Å; F583-I587 WeakPolarHBondContact CA-O 3.34Å; F583-I587 WeakPolarHBondContact CD2-O 3.49Å; I584-I587 PolarHBondContact N-O 3.07Å; I584-I587 WeakPolarHBondContact O-CA 3.49Å; I584-I587 WeakPolarHBondContact O-CB 3.25Å; I584-I587 PolarHBondContact O-N 2.88Å; N585-I587 VanDerWaalsContact C-N 3.33Å; N585-I587 PolarHBondContact O-N 3.5Å; I587-L589 HydrophobicContact CG2-CD2 4.12Å
588	S	93.8	Very high	96	Very high	40 Å²	40	24 Å²	24	28%	0.28	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	128.4	171.1	178.5	0	0	0	0	110	I422	I422-S588 VanDerWaalsContact CD1-OG 3.24Å; I422-S588 WeakPolarHBondContact CD1-OG 3.34Å
589	L	95.7	Very high	95.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.143	C	C	.	.			trans	-105.7	-4.3	179.6	-60	178.4	0	0	0	113	L511 I514 I581 L582 I584 I587 E591 Q592 R597 I600	L511-L589 HydrophobicContact CD2-CD2 3.91Å; I514-L589 HydrophobicContact CD1-CD2 3.78Å; I581-L589 HydrophobicContact CB-CD1 4.5Å; I581-L589 HydrophobicContact CD1-CD1 4.38Å; I581-L589 HydrophobicContact CG1-CD1 4.15Å; I581-L589 HydrophobicContact CG2-CD1 3.78Å; L582-L589 PolarHBondContact O-N 2.82Å; I584-L589 HydrophobicContact CG2-CD1 3.85Å; I584-L589 HydrophobicContact CG2-CG 4.29Å; I587-L589 HydrophobicContact CG2-CD2 4.12Å; L589-E591 PolarHBondContact O-N 3.37Å; L589-Q592 HydrophobicContact CD2-CG 4.35Å; L589-Q592 VanDerWaalsContact O-CB 3.29Å; L589-Q592 WeakPolarHBondContact O-CB 3.27Å; L589-Q592 PolarHBondContact O-N 3.07Å; L589-R597 HydrophobicContact CB-CG 4.01Å; L589-R597 VanDerWaalsContact O-CD 3.29Å; L589-R597 WeakPolarHBondContact O-CD 3.39Å; L589-I600 HydrophobicContact CD1-CD1 4.25Å; L589-I600 HydrophobicContact CD1-CG2 4.5Å; L589-I600 HydrophobicContact CD2-CD1 4.19Å
590	I	94.2	Very high	95.9	Very high	16 Å²	16	26 Å²	26	8%	0.082	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-24.5	-171.6	65.7	169	0	0	0	114.1	V397 I422 L582 T651 Y652 I654	V397-I590 HydrophobicContact CG1-CD1 3.94Å; I422-I590 HydrophobicContact CD1-CB 4.4Å; I422-I590 HydrophobicContact CD1-CD1 3.92Å; I422-I590 HydrophobicContact CD1-CG1 4.06Å; I422-I590 HydrophobicContact CD1-CG2 3.52Å; L582-I590 HydrophobicContact CB-CG2 4.16Å; I590-T651 WeakPolarHBondContact O-CB 3.31Å; I590-Y652 HydrophobicContact CG2-CD1 4.45Å; I590-Y652 PolarHBondContact O-N 3.19Å; I590-I654 HydrophobicContact CD1-CD1 3.7Å
591	E	92.6	Very high	95.9	Very high	114 Å²	114	26.2 Å²	26.2	53%	0.533	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-5.2	178.4	-57.9	-172.9	156.4	0	0	112.4	L589 T651	L589-E591 PolarHBondContact O-N 3.37Å; E591-T651 VanDerWaalsContact O-CG2 3.29Å; E591-T651 WeakPolarHBondContact O-CG2 3.2Å
592	Q	95.5	Very high	95.9	Very high	28 Å²	28	30.2 Å²	30.2	13%	0.131	16%	0.155	C	C	.	.	S	Bend	trans	-85.9	149	178.7	-58.2	-57	-48.7	0	0	111.5	I514 L589 R597	I514-Q592 HydrophobicContact CD1-CG 3.89Å; I514-Q592 HydrophobicContact CG1-CG 4.08Å; I514-Q592 HydrophobicContact CG2-CG 4.22Å; L589-Q592 HydrophobicContact CD2-CG 4.35Å; L589-Q592 VanDerWaalsContact O-CB 3.29Å; L589-Q592 WeakPolarHBondContact O-CB 3.27Å; L589-Q592 PolarHBondContact O-N 3.07Å; Q592-R597 HydrophobicContact CB-CG 4.25Å; Q592-R597 PolarHBondContact O-NE 2.82Å; Q592-R597 VanDerWaalsContact O-NE 3.17Å
593	P	96.7	Very high	95.8	Very high	39 Å²	39	33 Å²	33	25%	0.253	17%	0.168	S	C	.	.			trans	-55.9	149.7	173.8	-26.9	35.7	0	0	0	113.5	R595 I596 R597 S650	P593-R595 PolarHBondContact O-N 3.26Å; P593-I596 PolarHBondContact O-N 2.68Å; P593-R597 PolarHBondContact O-N 2.86Å; P593-R597 VanDerWaalsContact O-N 3.16Å; P593-S650 WeakPolarHBondContact CA-OG 3.27Å; P593-S650 WeakPolarHBondContact CB-OG 3.44Å
594	L	97.8	Very high	95.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-59.8	-34.9	179.3	177.8	62.4	0	0	0	111.8	T452 I596 R597 R598 K644 L646 S650	T452-L594 HydrophobicContact CG2-CD2 4.22Å; L594-I596 PolarHBondContact O-N 3Å; L594-R597 PolarHBondContact O-N 3.32Å; L594-R598 WeakPolarHBondContact O-CB 3.32Å; L594-R598 PolarHBondContact O-N 2.97Å; L594-K644 HydrophobicContact CD2-CB 3.45Å; L594-K644 VanDerWaalsContact CD2-CB 3.45Å; L594-K644 HydrophobicContact CD2-CD 3.68Å; L594-K644 HydrophobicContact CD2-CG 4.23Å; L594-L646 HydrophobicContact CD2-CD2 4.34Å; L594-L646 HydrophobicContact CG-CD2 4.42Å; L594-L646 PolarHBondContact N-O 3Å; L594-S650 PolarHBondContact N-O 2.78Å; L594-S650 PolarHBondContact N-OG 2.86Å; L594-S650 VanDerWaalsContact N-OG 3.15Å
595	R	97.5	Very high	95.8	Very high	95 Å²	95	32.7 Å²	32.7	36%	0.358	17%	0.167	S	C	.	.	H	α-helix	trans	-52.2	-53.4	175.8	-175	179.9	-62.1	-149.3	-6	111.5	D450 P593 R598 E599 L646 D647	D450-R595 IonicContact OD2-CZ 3.27Å; D450-R595 IonicContact OD2-NH2 3.25Å; D450-R595 PolarHBondContact OD2-NH2 2.66Å; P593-R595 PolarHBondContact O-N 3.26Å; R595-R598 PolarHBondContact O-N 2.66Å; R595-E599 WeakPolarHBondContact O-CB 3.21Å; R595-E599 PolarHBondContact O-N 3.12Å; R595-L646 HydrophobicContact CB-CB 4.42Å; R595-L646 PolarHBondContact N-O 2.95Å; R595-D647 WeakPolarHBondContact CB-OD1 3.19Å; R595-D647 WeakPolarHBondContact CD-OD1 3.46Å; R595-D647 IonicContact CZ-OD1 3.77Å; R595-D647 IonicContact CZ-OD2 3.57Å; R595-D647 IonicContact NE-OD1 2.66Å; R595-D647 PolarHBondContact NE-OD1 2.94Å; R595-D647 IonicContact NE-OD2 3.04Å; R595-D647 PolarHBondContact NE-OD2 2.7Å; R595-D647 VanDerWaalsContact NE-OD2 3.14Å; R595-D647 IonicContact NH2-OD1 2.7Å; R595-D647 IonicContact NH2-OD2 3.17Å; R595-D647 PolarHBondContact NH2-OD2 2.87Å
596	I	97.3	Very high	95.8	Very high	38 Å²	38	32.4 Å²	32.4	20%	0.195	17%	0.166	C	C	.	.	H	α-helix	trans	-63.9	-46	-179.8	-58.4	-58.4	0	0	0	111.1	L510 I514 P593 L594 R598 E599 I600	L510-I596 HydrophobicContact CD2-CD1 4.17Å; I514-I596 HydrophobicContact CD1-CG2 4.06Å; P593-I596 PolarHBondContact O-N 2.68Å; L594-I596 PolarHBondContact O-N 3Å; I596-R598 VanDerWaalsContact C-N 3.35Å; I596-R598 PolarHBondContact O-N 2.94Å; I596-E599 PolarHBondContact O-N 2.83Å; I596-I600 HydrophobicContact CG2-CD1 3.85Å; I596-I600 WeakPolarHBondContact O-CG1 3.24Å; I596-I600 PolarHBondContact O-N 3.49Å
597	R	97.9	Very high	96	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-59.3	-46.3	177.5	-69.1	-169.8	-78.8	140.3	0.9	111.9	D580 I581 L589 Q592 P593 L594 I600 L601 S650	D580-R597 IonicContact OD1-CZ 3.59Å; D580-R597 IonicContact OD1-NE 2.79Å; D580-R597 IonicContact OD1-NH1 3.47Å; D580-R597 PolarHBondContact OD1-NH1 3.35Å; D580-R597 IonicContact OD2-CZ 2.61Å; D580-R597 IonicContact OD2-NH1 2.67Å; D580-R597 PolarHBondContact OD2-NH1 3.35Å; D580-R597 IonicContact OD2-NH2 3.75Å; I581-R597 HydrophobicContact CG2-CB 4.12Å; I581-R597 WeakPolarHBondContact CG2-O 3.38Å; I581-R597 WeakPolarHBondContact O-CD 3.46Å; L589-R597 HydrophobicContact CB-CG 4.01Å; L589-R597 VanDerWaalsContact O-CD 3.29Å; L589-R597 WeakPolarHBondContact O-CD 3.39Å; Q592-R597 HydrophobicContact CB-CG 4.25Å; Q592-R597 PolarHBondContact O-NE 2.82Å; Q592-R597 VanDerWaalsContact O-NE 3.17Å; P593-R597 PolarHBondContact O-N 2.86Å; P593-R597 VanDerWaalsContact O-N 3.16Å; L594-R597 PolarHBondContact O-N 3.32Å; R597-I600 PolarHBondContact O-N 3.35Å; R597-L601 WeakPolarHBondContact O-CB 3.46Å; R597-L601 PolarHBondContact O-N 3Å; R597-S650 PolarHBondContact NH2-O 3.21Å
598	R	97.4	Very high	96.1	Very high	17 Å²	17	39.4 Å²	39.4	6%	0.064	18%	0.18	C	C	.	.	H	α-helix	trans	-67.1	-37	-179.5	-172.1	174.4	66.1	159.7	5.5	111.9	T452 L594 R595 I596 R602 D619	T452-R598 VanDerWaalsContact CB-NH1 3.29Å; T452-R598 PolarHBondContact OG1-NH1 3.24Å; L594-R598 WeakPolarHBondContact O-CB 3.32Å; L594-R598 PolarHBondContact O-N 2.97Å; R595-R598 PolarHBondContact O-N 2.66Å; I596-R598 VanDerWaalsContact C-N 3.35Å; I596-R598 PolarHBondContact O-N 2.94Å; R598-R602 WeakPolarHBondContact O-CB 3.38Å; R598-R602 VanDerWaalsContact O-CG 3.23Å; R598-R602 WeakPolarHBondContact O-CG 3.45Å; R598-R602 PolarHBondContact O-N 3.26Å; R598-D619 IonicContact CZ-OD1 3.44Å; R598-D619 IonicContact CZ-OD2 3.14Å; R598-D619 IonicContact NH1-OD1 3.45Å; R598-D619 PolarHBondContact NH1-OD1 3.24Å; R598-D619 IonicContact NH1-OD2 3.83Å; R598-D619 PolarHBondContact NH1-OD2 2.71Å; R598-D619 IonicContact NH2-OD1 2.66Å; R598-D619 PolarHBondContact NH2-OD1 3.45Å; R598-D619 IonicContact NH2-OD2 2.85Å; R598-D619 PolarHBondContact NH2-OD2 2.72Å
599	E	97.4	Very high	96.1	Very high	67 Å²	67	42.7 Å²	42.7	31%	0.313	20%	0.204	S	C	.	.	H	α-helix	trans	-62.9	-53.9	173.9	-172.3	167.2	-161.2	0	0	110.8	H506 L510 R595 I596 L601 R602 E603	H506-E599 IonicContact CD2-OE1 2.97Å; H506-E599 PolarHBondContact CD2-OE1 2.96Å; H506-E599 IonicContact CE1-OE1 3.79Å; H506-E599 IonicContact NE2-OE1 2.64Å; H506-E599 PolarHBondContact NE2-OE1 2.67Å; L510-E599 HydrophobicContact CD1-CG 4.09Å; R595-E599 WeakPolarHBondContact O-CB 3.21Å; R595-E599 PolarHBondContact O-N 3.12Å; I596-E599 PolarHBondContact O-N 2.83Å; E599-L601 VanDerWaalsContact C-N 3.29Å; E599-L601 PolarHBondContact O-N 3.13Å; E599-R602 PolarHBondContact O-N 3.2Å; E599-E603 WeakPolarHBondContact O-CG 3.42Å; E599-E603 PolarHBondContact O-N 2.89Å
600	I	97.6	Very high	96	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-54.6	-45.7	175.2	-66.3	166.5	0	0	0	110.9	L510 L511 I514 I581 I584 L589 I596 R597 R602 E603 V604	L510-I600 HydrophobicContact CB-CD1 4.37Å; L510-I600 HydrophobicContact CB-CG1 4.37Å; L510-I600 HydrophobicContact CD1-CG1 3.96Å; L511-I600 HydrophobicContact CD2-CD1 3.93Å; L511-I600 HydrophobicContact CG-CD1 4.31Å; I514-I600 HydrophobicContact CD1-CD1 4.18Å; I581-I600 HydrophobicContact CD1-CG2 4.2Å; I584-I600 HydrophobicContact CD1-CG2 4.41Å; L589-I600 HydrophobicContact CD1-CD1 4.25Å; L589-I600 HydrophobicContact CD1-CG2 4.5Å; L589-I600 HydrophobicContact CD2-CD1 4.19Å; I596-I600 HydrophobicContact CG2-CD1 3.85Å; I596-I600 WeakPolarHBondContact O-CG1 3.24Å; I596-I600 PolarHBondContact O-N 3.49Å; R597-I600 PolarHBondContact O-N 3.35Å; I600-R602 VanDerWaalsContact C-N 3.35Å; I600-R602 PolarHBondContact O-N 3.41Å; I600-E603 PolarHBondContact O-N 2.99Å; I600-V604 HydrophobicContact CG2-CG2 4.01Å; I600-V604 WeakPolarHBondContact O-CB 3.18Å; I600-V604 WeakPolarHBondContact O-CG2 3.22Å; I600-V604 PolarHBondContact O-N 2.7Å
601	L	97.5	Very high	96.1	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.016	21%	0.206	C	C	.	.	H	α-helix	trans	-57.5	-46.1	177.9	179.6	72	0	0	0	111.9	I537 V578 I581 R597 E599 E603 F605 M614	I537-L601 HydrophobicContact CG2-CD1 3.98Å; V578-L601 HydrophobicContact CB-CD1 4.38Å; V578-L601 HydrophobicContact CB-CD2 4.37Å; V578-L601 HydrophobicContact CG2-CD1 4.2Å; V578-L601 HydrophobicContact CG2-CD2 4.12Å; V578-L601 HydrophobicContact CG2-CG 4.36Å; I581-L601 HydrophobicContact CB-CB 4.22Å; I581-L601 HydrophobicContact CB-CD1 4.03Å; I581-L601 HydrophobicContact CG2-CB 3.9Å; R597-L601 WeakPolarHBondContact O-CB 3.46Å; R597-L601 PolarHBondContact O-N 3Å; E599-L601 VanDerWaalsContact C-N 3.29Å; E599-L601 PolarHBondContact O-N 3.13Å; L601-E603 VanDerWaalsContact C-N 3.33Å; L601-E603 PolarHBondContact O-N 3.42Å; L601-F605 HydrophobicContact CD1-CD2 3.75Å; L601-F605 HydrophobicContact CD1-CE2 3.94Å; L601-F605 PolarHBondContact O-N 3.07Å; L601-M614 HydrophobicContact CD2-SD 3.96Å; L601-M614 HydrophobicContact CG-CE 4.2Å; L601-M614 HydrophobicContact CG-SD 3.9Å; L601-M614 WeakPolarHBondContact O-CE 3.42Å
602	R	96.7	Very high	96.3	Very high	84 Å²	84	37.8 Å²	37.8	32%	0.317	18%	0.181	S	C	.	.	H	α-helix	trans	-68.5	-31.8	-178.3	-75.3	171.1	177.8	-176.3	1.2	112.8	R598 E599 I600 M614 S617	R598-R602 WeakPolarHBondContact O-CB 3.38Å; R598-R602 VanDerWaalsContact O-CG 3.23Å; R598-R602 WeakPolarHBondContact O-CG 3.45Å; R598-R602 PolarHBondContact O-N 3.26Å; E599-R602 PolarHBondContact O-N 3.2Å; I600-R602 VanDerWaalsContact C-N 3.35Å; I600-R602 PolarHBondContact O-N 3.41Å; R602-M614 HydrophobicContact CG-SD 4.25Å; R602-S617 PolarHBondContact NH2-OG 2.78Å
603	E	95.6	Very high	96.4	Very high	59 Å²	59	38 Å²	38	28%	0.276	18%	0.182	S	C	.	.	H	α-helix	trans	-81.6	-34.7	179.7	-67.1	-157.6	155	0	0	113.4	T504 H506 A507 E599 I600 L601	T504-E603 HydrophobicContact CG2-CB 4.09Å; T504-E603 PolarHBondContact OG1-OE2 3.27Å; H506-E603 WeakPolarHBondContact CB-OE2 3.49Å; H506-E603 IonicContact CD2-OE1 2.72Å; H506-E603 PolarHBondContact CD2-OE1 3Å; H506-E603 IonicContact CD2-OE2 3.48Å; H506-E603 IonicContact CG-OE1 3.71Å; H506-E603 IonicContact CG-OE2 3.16Å; A507-E603 HydrophobicContact CB-CB 4.41Å; A507-E603 PolarHBondContact N-OE2 3.17Å; E599-E603 WeakPolarHBondContact O-CG 3.42Å; E599-E603 PolarHBondContact O-N 2.89Å; I600-E603 PolarHBondContact O-N 2.99Å; L601-E603 VanDerWaalsContact C-N 3.33Å; L601-E603 PolarHBondContact O-N 3.42Å
604	V	96.1	Very high	96.4	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.006	18%	0.175	C	C	.	.	H	α-helix	trans	-78.3	-35.5	-174.1	170.9	0	0	0	0	112.4	S501 K502 A507 L532 I584 I600	S501-V604 WeakPolarHBondContact CA-O 3.36Å; S501-V604 WeakPolarHBondContact CB-O 3.28Å; K502-V604 PolarHBondContact N-O 3.04Å; K502-V604 WeakPolarHBondContact O-CA 3.32Å; A507-V604 HydrophobicContact CB-CG2 4.33Å; L532-V604 HydrophobicContact CD1-CG1 4.22Å; L532-V604 HydrophobicContact CD2-CG1 4.19Å; I584-V604 HydrophobicContact CD1-CG1 4.16Å; I584-V604 HydrophobicContact CD1-CG2 3.89Å; I600-V604 HydrophobicContact CG2-CG2 4.01Å; I600-V604 WeakPolarHBondContact O-CB 3.18Å; I600-V604 WeakPolarHBondContact O-CG2 3.22Å; I600-V604 PolarHBondContact O-N 2.7Å
605	F	96.2	Very high	96.4	Very high	8 Å²	8	37.5 Å²	37.5	4%	0.035	18%	0.179	C	C	.	.	S	Bend	trans	-108.9	137.9	-171.9	-65.3	-82.8	0	0	0	113.8	V497 S501 L532 I537 I581 L601 F612 M614	V497-F605 HydrophobicContact CG1-CD1 3.88Å; S501-F605 VanDerWaalsContact OG-CD1 3.25Å; S501-F605 WeakPolarHBondContact OG-CD1 3.47Å; L532-F605 HydrophobicContact CD2-CE1 3.74Å; L532-F605 HydrophobicContact CD2-CZ 3.88Å; I537-F605 HydrophobicContact CG2-CE2 3.76Å; I537-F605 HydrophobicContact CG2-CZ 3.88Å; I581-F605 HydrophobicContact CD1-CE2 4.22Å; L601-F605 HydrophobicContact CD1-CD2 3.75Å; L601-F605 HydrophobicContact CD1-CE2 3.94Å; L601-F605 PolarHBondContact O-N 3.07Å; F605-F612 HydrophobicContact CB-CE1 3.78Å; F605-F612 HydrophobicContact CB-CZ 4.34Å; F605-F612 HydrophobicContact CD1-CE1 4.22Å; F605-F612 AromaticContact CD1-CZ 4Å; F605-F612 HydrophobicContact CD1-CZ 4Å; F605-F612 HydrophobicContact CG-CE1 4.14Å; F605-F612 HydrophobicContact CG-CZ 4.2Å; F605-M614 HydrophobicContact CB-CE 3.87Å
606	P	94.9	Very high	96.4	Very high	24 Å²	24	35.6 Å²	35.6	16%	0.156	18%	0.178	C	C	.	.			trans	-69	165.7	170.1	35	-40.4	0	0	0	111.2	V497 E500 F612	V497-P606 HydrophobicContact CG1-CG 4.11Å; E500-P606 HydrophobicContact CB-CB 4.1Å; E500-P606 HydrophobicContact CB-CG 3.79Å; E500-P606 WeakPolarHBondContact OE2-CB 3.37Å; P606-F612 WeakPolarHBondContact O-CD1 3.25Å
607	R	95.2	Very high	96.4	Very high	164 Å²	164	35.6 Å²	35.6	62%	0.619	18%	0.181	S	C	*	.			trans	-110.6	124.2	170.7	-60.6	178.7	-169.7	119.4	5	109.2	F612 M614	R607-F612 WeakPolarHBondContact CA-O 3.44Å; R607-M614 HydrophobicContact CG-CG 4.29Å
608	I	95.1	Very high	96.4	Very high	30 Å²	30	37.6 Å²	37.6	15%	0.154	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-114.1	107.7	174.7	-53.3	178.9	0	0	0	107	L493 R496 V497 G610 E611 F612	L493-I608 HydrophobicContact CD1-CD1 4.46Å; R496-I608 HydrophobicContact CB-CD1 4.34Å; V497-I608 HydrophobicContact CG2-CD1 3.72Å; I608-G610 PolarHBondContact O-N 2.77Å; I608-E611 HydrophobicContact CB-CB 4.21Å; I608-E611 HydrophobicContact CG2-CB 3.86Å; I608-E611 HydrophobicContact CG2-CG 4.02Å; I608-E611 PolarHBondContact O-N 2.99Å; I608-F612 HydrophobicContact CB-CB 4.33Å; I608-F612 PolarHBondContact N-O 2.83Å; I608-F612 CarbonylContact O-C 3.44Å; I608-F612 PolarHBondContact O-N 3.4Å
609	S	94	Very high	96.3	Very high	110 Å²	110	40.6 Å²	40.6	77%	0.769	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.6	128.5	-175.8	-172.2	0	0	0	0	111.6	E611	S609-E611 PolarHBondContact O-N 3.2Å
610	G	93.9	Very high	95.8	Very high	3 Å²	3	38.3 Å²	38.3	3%	0.031	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	4.5	-179.3	0	0	0	0	0	115.7	C575 I608	C575-G610 WeakPolarHBondContact CB-O 3.3Å; C575-G610 VanDerWaalsContact SG-C 3.55Å; I608-G610 PolarHBondContact O-N 2.77Å
611	E	94.8	Very high	95.1	Very high	23 Å²	23	42.3 Å²	42.3	11%	0.107	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132	-52.6	-177.3	-53.7	-161.4	-119.6	0	0	113.3	L493 R496 R546 I576 I608 S609	L493-E611 HydrophobicContact CD1-CB 3.75Å; R496-E611 IonicContact CZ-OE1 3.06Å; R496-E611 IonicContact CZ-OE2 2.62Å; R496-E611 VanDerWaalsContact NH1-CD 3.3Å; R496-E611 IonicContact NH1-OE1 3.9Å; R496-E611 PolarHBondContact NH1-OE1 3.2Å; R496-E611 IonicContact NH1-OE2 3.88Å; R496-E611 PolarHBondContact NH1-OE2 3.15Å; R496-E611 IonicContact NH2-OE1 3.06Å; R496-E611 IonicContact NH2-OE2 3.9Å; R496-E611 PolarHBondContact NH2-OE2 3.07Å; R546-E611 VanDerWaalsContact CZ-CD 3.5Å; R546-E611 IonicContact CZ-OE1 3.49Å; R546-E611 IonicContact CZ-OE2 3.89Å; R546-E611 IonicContact NH1-OE1 3.43Å; R546-E611 PolarHBondContact NH1-OE1 3.24Å; R546-E611 VanDerWaalsContact NH1-OE1 3.16Å; R546-E611 IonicContact NH1-OE2 3.68Å; R546-E611 PolarHBondContact NH1-OE2 3.34Å; R546-E611 IonicContact NH2-OE1 2.69Å; R546-E611 IonicContact NH2-OE2 3.57Å; R546-E611 PolarHBondContact NH2-OE2 3.03Å; I576-E611 PolarHBondContact N-O 2.98Å; I608-E611 HydrophobicContact CB-CB 4.21Å; I608-E611 HydrophobicContact CG2-CB 3.86Å; I608-E611 HydrophobicContact CG2-CG 4.02Å; I608-E611 PolarHBondContact O-N 2.99Å; S609-E611 PolarHBondContact O-N 3.2Å
612	F	97	Very high	94.4	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	100.1	-180	-169.5	-84.5	0	0	0	108.6	L493 V497 I537 I576 V578 F605 P606 R607 I608	L493-F612 HydrophobicContact CD1-CB 4.14Å; L493-F612 HydrophobicContact CD2-CB 4.42Å; L493-F612 HydrophobicContact CD2-CD2 4.36Å; V497-F612 HydrophobicContact CG1-CD1 4.31Å; V497-F612 HydrophobicContact CG1-CD2 4.45Å; V497-F612 HydrophobicContact CG1-CE1 4.17Å; V497-F612 HydrophobicContact CG1-CE2 4.28Å; V497-F612 HydrophobicContact CG1-CG 4.45Å; V497-F612 HydrophobicContact CG1-CZ 4.12Å; V497-F612 HydrophobicContact CG2-CB 3.92Å; V497-F612 HydrophobicContact CG2-CD1 4.3Å; V497-F612 HydrophobicContact CG2-CD2 3.98Å; V497-F612 HydrophobicContact CG2-CG 3.81Å; I537-F612 HydrophobicContact CD1-CE2 4.16Å; I537-F612 HydrophobicContact CD1-CZ 4.08Å; I576-F612 HydrophobicContact CB-CD2 4.27Å; I576-F612 HydrophobicContact CD1-CD2 4.44Å; I576-F612 HydrophobicContact CG2-CD2 4.44Å; V578-F612 HydrophobicContact CG1-CE1 4.13Å; V578-F612 HydrophobicContact CG1-CE2 3.75Å; V578-F612 HydrophobicContact CG1-CZ 3.5Å; V578-F612 HydrophobicContact CG2-CE1 4.12Å; V578-F612 HydrophobicContact CG2-CZ 4.26Å; F605-F612 HydrophobicContact CB-CE1 3.78Å; F605-F612 HydrophobicContact CB-CZ 4.34Å; F605-F612 HydrophobicContact CD1-CE1 4.22Å; F605-F612 AromaticContact CD1-CZ 4Å; F605-F612 HydrophobicContact CD1-CZ 4Å; F605-F612 HydrophobicContact CG-CE1 4.14Å; F605-F612 HydrophobicContact CG-CZ 4.2Å; P606-F612 WeakPolarHBondContact O-CD1 3.25Å; R607-F612 WeakPolarHBondContact CA-O 3.44Å; I608-F612 HydrophobicContact CB-CB 4.33Å; I608-F612 PolarHBondContact N-O 2.83Å; I608-F612 CarbonylContact O-C 3.44Å; I608-F612 PolarHBondContact O-N 3.4Å
613	M	97	Very high	93.6	Very high	33 Å²	33	44.1 Å²	44.1	16%	0.163	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	156.4	-173.8	-63.8	-163.6	-76	0	0	110.5	W544 C575 I576 Y577 V578	W544-M613 HydrophobicContact CH2-CE 3.83Å; W544-M613 HydrophobicContact CZ2-CE 4.23Å; W544-M613 HydrophobicContact CZ3-CE 3.99Å; C575-M613 WeakPolarHBondContact SG-CE 3.32Å; I576-M613 PolarHBondContact O-N 3.4Å; Y577-M613 CarbonylContact C-O 3.52Å; Y577-M613 VanDerWaalsContact CA-O 3.29Å; Y577-M613 WeakPolarHBondContact CA-O 3.3Å; Y577-M613 HydrophobicContact CD1-CB 3.89Å; Y577-M613 HydrophobicContact CE1-CB 3.84Å; Y577-M613 HydrophobicContact CE1-CE 3.62Å; Y577-M613 HydrophobicContact CE1-SD 4.44Å; Y577-M613 HydrophobicContact CE2-CE 4.27Å; Y577-M613 VanDerWaalsContact CZ-CE 3.42Å; Y577-M613 WeakPolarHBondContact OH-CE 3.28Å; V578-M613 WeakPolarHBondContact CG2-O 3.32Å; V578-M613 PolarHBondContact N-O 2.96Å
614	M	97.6	Very high	92.8	Very high	20 Å²	20	46.8 Å²	46.8	10%	0.099	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	150.1	169	-61.6	-71.7	159.1	0	0	108.5	V578 L601 R602 F605 R607 T616	V578-M614 HydrophobicContact CG2-CE 3.82Å; V578-M614 HydrophobicContact CG2-CG 4.48Å; V578-M614 HydrophobicContact CG2-SD 3.39Å; V578-M614 WeakPolarHBondContact CG2-SD 3.39Å; L601-M614 HydrophobicContact CD2-SD 3.96Å; L601-M614 HydrophobicContact CG-CE 4.2Å; L601-M614 HydrophobicContact CG-SD 3.9Å; L601-M614 WeakPolarHBondContact O-CE 3.42Å; R602-M614 HydrophobicContact CG-SD 4.25Å; F605-M614 HydrophobicContact CB-CE 3.87Å; R607-M614 HydrophobicContact CG-CG 4.29Å; M614-T616 PolarHBondContact O-N 2.85Å
615	A	97.7	Very high	92.3	Very high	9 Å²	9	51.4 Å²	51.4	7%	0.074	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-55.2	128.4	168.8	0	0	0	0	0	110.4	E454 Y457 V578 F579 S617	E454-A615 HydrophobicContact CB-CB 4.48Å; E454-A615 HydrophobicContact CG-CB 4.36Å; Y457-A615 HydrophobicContact CE2-CB 3.94Å; Y457-A615 WeakPolarHBondContact OH-CA 3.48Å; V578-A615 PolarHBondContact O-N 3.25Å; F579-A615 HydrophobicContact CB-CB 3.79Å; A615-S617 PolarHBondContact O-N 3.12Å
616	T	97.7	Very high	91.8	Very high	55 Å²	55	51 Å²	51	34%	0.337	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-61.9	123.1	173.4	-51.1	0	0	0	0	107.7	E454 Y455 Y457 M614 F629	E454-T616 CarbonylContact C-O 3.37Å; E454-T616 VanDerWaalsContact CA-O 3.26Å; E454-T616 WeakPolarHBondContact CA-O 3.44Å; Y455-T616 HydrophobicContact CD1-CG2 4.33Å; Y455-T616 HydrophobicContact CD2-CG2 4.24Å; Y455-T616 HydrophobicContact CE1-CG2 4.09Å; Y455-T616 HydrophobicContact CE2-CG2 3.97Å; Y455-T616 HydrophobicContact CG-CG2 4.4Å; Y455-T616 PolarHBondContact N-O 2.66Å; Y457-T616 PolarHBondContact OH-N 3.44Å; Y457-T616 PolarHBondContact OH-OG1 3.32Å; M614-T616 PolarHBondContact O-N 2.85Å; T616-F629 HydrophobicContact CG2-CE2 3.98Å; T616-F629 HydrophobicContact CG2-CZ 4.06Å
617	S	97.7	Very high	91.2	Very high	38 Å²	38	51.5 Å²	51.5	27%	0.266	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	145.5	-171.4	67.1	0	0	0	0	112.4	C453 R602 A615	C453-S617 CarbonylContact O-C 3.57Å; C453-S617 WeakPolarHBondContact O-CA 3.3Å; R602-S617 PolarHBondContact NH2-OG 2.78Å; A615-S617 PolarHBondContact O-N 3.12Å
618	L	96.7	Very high	90.8	Very high	41 Å²	41	47.5 Å²	47.5	22%	0.215	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	122.3	169.7	174	66.6	0	0	0	108.7	C453 E625 F629	C453-L618 HydrophobicContact CB-CB 4.45Å; C453-L618 PolarHBondContact N-O 2.97Å; C453-L618 PolarHBondContact O-N 3.5Å; L618-E625 HydrophobicContact CD2-CB 4.15Å; L618-F629 HydrophobicContact CB-CD1 3.86Å; L618-F629 HydrophobicContact CB-CD2 3.98Å; L618-F629 HydrophobicContact CB-CE1 3.87Å; L618-F629 HydrophobicContact CB-CE2 3.97Å; L618-F629 HydrophobicContact CB-CG 3.92Å; L618-F629 HydrophobicContact CB-CZ 3.91Å; L618-F629 HydrophobicContact CD2-CB 3.67Å; L618-F629 HydrophobicContact CD2-CD1 4.25Å; L618-F629 HydrophobicContact CD2-CD2 4.32Å; L618-F629 HydrophobicContact CD2-CG 3.85Å
619	D	95.5	Very high	90.8	Very high	80 Å²	80	46.9 Å²	46.9	43%	0.428	28%	0.278	S	S	.	.			trans	-98.4	92.2	173	-63	-8.9	0	0	0	107.4	T452 R598	T452-D619 WeakPolarHBondContact CB-OD1 3.32Å; T452-D619 PolarHBondContact OG1-OD1 3.36Å; R598-D619 IonicContact CZ-OD1 3.44Å; R598-D619 IonicContact CZ-OD2 3.14Å; R598-D619 IonicContact NH1-OD1 3.45Å; R598-D619 PolarHBondContact NH1-OD1 3.24Å; R598-D619 IonicContact NH1-OD2 3.83Å; R598-D619 PolarHBondContact NH1-OD2 2.71Å; R598-D619 IonicContact NH2-OD1 2.66Å; R598-D619 PolarHBondContact NH2-OD1 3.45Å; R598-D619 IonicContact NH2-OD2 2.85Å; R598-D619 PolarHBondContact NH2-OD2 2.72Å
620	S	87.8	Confident	90.6	Very high	19 Å²	19	41.9 Å²	41.9	13%	0.133	24%	0.243	C	C	.	.			trans	-153.8	146.4	-178.8	-177	0	0	0	0	110.7	F451 D622 E625	F451-S620 WeakPolarHBondContact CE2-O 3.48Å; F451-S620 WeakPolarHBondContact CZ-O 3.45Å; S620-D622 WeakPolarHBondContact OG-CB 3.42Å; S620-D622 PolarHBondContact OG-N 2.99Å; S620-D622 VanDerWaalsContact OG-N 3.08Å; S620-E625 WeakPolarHBondContact CB-OE2 3.43Å; S620-E625 PolarHBondContact OG-OE2 2.65Å
621	S	83.3	Confident	90.3	Very high	85 Å²	85	45.8 Å²	45.8	59%	0.594	26%	0.263	S	S	*	.			trans	-103.9	2.8	169.9	62.1	0	0	0	0	112.7	L443	L443-S621 WeakPolarHBondContact CD2-O 3.43Å
622	D	82.6	Confident	90.2	Very high	68 Å²	68	49.4 Å²	49.4	36%	0.364	28%	0.28	S	S	.	.			trans	-78	129.2	179.6	-177.2	-92.4	0	0	0	111.1	S620 D624 E625 I626	S620-D622 WeakPolarHBondContact OG-CB 3.42Å; S620-D622 PolarHBondContact OG-N 2.99Å; S620-D622 VanDerWaalsContact OG-N 3.08Å; D622-D624 VanDerWaalsContact C-N 3.33Å; D622-D624 PolarHBondContact O-N 2.72Å; D622-D624 WeakPolarHBondContact OD1-CA 3.41Å; D622-D624 WeakPolarHBondContact OD1-CB 3.08Å; D622-D624 PolarHBondContact OD1-N 3.31Å; D622-E625 HydrophobicContact CB-CB 4.1Å; D622-E625 HydrophobicContact CB-CG 4.03Å; D622-E625 PolarHBondContact OD1-N 2.78Å; D622-I626 WeakPolarHBondContact O-CB 3.45Å; D622-I626 WeakPolarHBondContact O-CD1 3.41Å; D622-I626 WeakPolarHBondContact O-CG1 3.31Å; D622-I626 PolarHBondContact O-N 2.69Å
623	T	78.7	Confident	90.1	Very high	56 Å²	56	49.4 Å²	49.4	34%	0.344	28%	0.28	S	S	.	.	H	α-helix	trans	-65.4	-35.9	-175.8	44.8	0	0	0	0	113	I439 L443 A627	I439-T623 HydrophobicContact CG2-CG2 4.03Å; L443-T623 HydrophobicContact CD1-CG2 3.35Å; L443-T623 HydrophobicContact CG-CG2 4.43Å; T623-A627 VanDerWaalsContact O-CB 3.28Å; T623-A627 WeakPolarHBondContact O-CB 3.46Å; T623-A627 PolarHBondContact O-N 3.38Å
624	D	78.5	Confident	89.6	Confident	115 Å²	115	48.9 Å²	48.9	62%	0.615	28%	0.277	S	S	*	.	H	α-helix	trans	-78.4	-39	-174.2	-64.8	-18.7	0	0	0	110.2	D622 A627 T628	D622-D624 VanDerWaalsContact C-N 3.33Å; D622-D624 PolarHBondContact O-N 2.72Å; D622-D624 WeakPolarHBondContact OD1-CA 3.41Å; D622-D624 WeakPolarHBondContact OD1-CB 3.08Å; D622-D624 PolarHBondContact OD1-N 3.31Å; D624-A627 PolarHBondContact O-N 3.04Å; D624-T628 WeakPolarHBondContact O-CB 3.47Å; D624-T628 PolarHBondContact O-N 3.24Å; D624-T628 PolarHBondContact O-OG1 3.11Å
625	E	86.2	Confident	89.2	Confident	99 Å²	99	53.6 Å²	53.6	46%	0.463	30%	0.298	S	S	.	.	H	α-helix	trans	-61.5	-45.4	170.2	-67.9	-174.9	174.5	0	0	111.4	L618 S620 D622 A627 T628 F629	L618-E625 HydrophobicContact CD2-CB 4.15Å; S620-E625 WeakPolarHBondContact CB-OE2 3.43Å; S620-E625 PolarHBondContact OG-OE2 2.65Å; D622-E625 HydrophobicContact CB-CB 4.1Å; D622-E625 HydrophobicContact CB-CG 4.03Å; D622-E625 PolarHBondContact OD1-N 2.78Å; E625-A627 PolarHBondContact O-N 2.81Å; E625-T628 PolarHBondContact O-N 3.44Å; E625-F629 VanDerWaalsContact O-CB 3.27Å; E625-F629 WeakPolarHBondContact O-CB 3.47Å; E625-F629 PolarHBondContact O-N 3.49Å
626	I	86.2	Confident	88.8	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-64.3	-40.8	177.5	-66.1	165.6	0	0	0	111.1	I439 L443 F451 D622 F629 L630 L641	I439-I626 HydrophobicContact CD1-CB 4.49Å; I439-I626 HydrophobicContact CD1-CG2 4Å; I439-I626 HydrophobicContact CG1-CG2 4.03Å; I439-I626 HydrophobicContact CG2-CB 4.23Å; I439-I626 HydrophobicContact CG2-CD1 4.33Å; I439-I626 HydrophobicContact CG2-CG2 3.97Å; L443-I626 HydrophobicContact CD2-CD1 4.44Å; F451-I626 HydrophobicContact CE2-CD1 3.98Å; F451-I626 HydrophobicContact CZ-CD1 3.98Å; D622-I626 WeakPolarHBondContact O-CB 3.45Å; D622-I626 WeakPolarHBondContact O-CD1 3.41Å; D622-I626 WeakPolarHBondContact O-CG1 3.31Å; D622-I626 PolarHBondContact O-N 2.69Å; I626-F629 PolarHBondContact O-N 2.88Å; I626-L630 WeakPolarHBondContact O-CB 3.32Å; I626-L630 PolarHBondContact O-N 3.09Å; I626-L641 HydrophobicContact CG2-CD1 4.13Å
627	A	82.5	Confident	88.4	Confident	33 Å²	33	52.2 Å²	52.2	27%	0.273	29%	0.294	S	S	.	.	H	α-helix	trans	-63.8	-45.8	177.4	0	0	0	0	0	111.4	I439 T623 D624 E625 F629 L630 D631	I439-A627 HydrophobicContact CD1-CB 3.69Å; T623-A627 VanDerWaalsContact O-CB 3.28Å; T623-A627 WeakPolarHBondContact O-CB 3.46Å; T623-A627 PolarHBondContact O-N 3.38Å; D624-A627 PolarHBondContact O-N 3.04Å; E625-A627 PolarHBondContact O-N 2.81Å; A627-F629 VanDerWaalsContact C-N 3.32Å; A627-F629 PolarHBondContact O-N 3.22Å; A627-L630 WeakPolarHBondContact O-CB 3.18Å; A627-L630 PolarHBondContact O-N 3.04Å; A627-D631 PolarHBondContact O-N 2.99Å
628	T	86.9	Confident	88.1	Confident	81 Å²	81	50.5 Å²	50.5	50%	0.497	28%	0.282	S	S	.	.	H	α-helix	trans	-59.9	-44.9	175.7	-56.6	0	0	0	0	110.8	D624 E625 L630 D631 E632	D624-T628 WeakPolarHBondContact O-CB 3.47Å; D624-T628 PolarHBondContact O-N 3.24Å; D624-T628 PolarHBondContact O-OG1 3.11Å; E625-T628 PolarHBondContact O-N 3.44Å; T628-L630 VanDerWaalsContact C-N 3.34Å; T628-L630 PolarHBondContact O-N 3.29Å; T628-D631 PolarHBondContact O-N 3.3Å; T628-E632 WeakPolarHBondContact O-CG 3.44Å; T628-E632 PolarHBondContact O-N 2.93Å
629	F	94.5	Very high	87.8	Confident	17 Å²	17	49.8 Å²	49.8	8%	0.075	28%	0.277	C	S	.	.	H	α-helix	trans	-65.8	-34.9	178.8	-170.5	-113.3	0	0	0	113.1	C453 Y455 T616 L618 E625 I626 A627 A633 L641	C453-F629 HydrophobicContact CB-CD1 4.01Å; C453-F629 HydrophobicContact CB-CE1 4.01Å; C453-F629 VanDerWaalsContact O-CE1 3.27Å; C453-F629 WeakPolarHBondContact O-CE1 3.33Å; Y455-F629 HydrophobicContact CD1-CD1 4.38Å; Y455-F629 AromaticContact CD1-CE1 3.63Å; Y455-F629 HydrophobicContact CD1-CE1 3.63Å; Y455-F629 HydrophobicContact CD1-CE2 4.02Å; Y455-F629 AromaticContact CD1-CZ 3.42Å; Y455-F629 HydrophobicContact CD1-CZ 3.42Å; Y455-F629 VanDerWaalsContact CD1-CZ 3.42Å; Y455-F629 HydrophobicContact CE1-CD1 4.1Å; Y455-F629 AromaticContact CE1-CD2 3.79Å; Y455-F629 HydrophobicContact CE1-CD2 3.79Å; Y455-F629 AromaticContact CE1-CE1 3.65Å; Y455-F629 HydrophobicContact CE1-CE1 3.65Å; Y455-F629 AromaticContact CE1-CE2 3.31Å; Y455-F629 HydrophobicContact CE1-CE2 3.31Å; Y455-F629 HydrophobicContact CE1-CG 4.17Å; Y455-F629 AromaticContact CE1-CZ 3.23Å; Y455-F629 HydrophobicContact CE1-CZ 3.23Å; T616-F629 HydrophobicContact CG2-CE2 3.98Å; T616-F629 HydrophobicContact CG2-CZ 4.06Å; L618-F629 HydrophobicContact CB-CD1 3.86Å; L618-F629 HydrophobicContact CB-CD2 3.98Å; L618-F629 HydrophobicContact CB-CE1 3.87Å; L618-F629 HydrophobicContact CB-CE2 3.97Å; L618-F629 HydrophobicContact CB-CG 3.92Å; L618-F629 HydrophobicContact CB-CZ 3.91Å; L618-F629 HydrophobicContact CD2-CB 3.67Å; L618-F629 HydrophobicContact CD2-CD1 4.25Å; L618-F629 HydrophobicContact CD2-CD2 4.32Å; L618-F629 HydrophobicContact CD2-CG 3.85Å; E625-F629 VanDerWaalsContact O-CB 3.27Å; E625-F629 WeakPolarHBondContact O-CB 3.47Å; E625-F629 PolarHBondContact O-N 3.49Å; I626-F629 PolarHBondContact O-N 2.88Å; A627-F629 VanDerWaalsContact C-N 3.32Å; A627-F629 PolarHBondContact O-N 3.22Å; F629-A633 WeakPolarHBondContact O-CB 3.25Å; F629-A633 PolarHBondContact O-N 2.81Å; F629-L641 HydrophobicContact CD1-CD1 4.02Å; F629-L641 HydrophobicContact CD1-CD2 3.48Å; F629-L641 VanDerWaalsContact CD1-CD2 3.48Å; F629-L641 HydrophobicContact CD1-CG 4.41Å; F629-L641 HydrophobicContact CE1-CD2 3.58Å
630	L	90.6	Very high	87.6	Confident	5 Å²	5	46 Å²	46	3%	0.026	26%	0.257	C	S	.	.	H	α-helix	trans	-64.2	-45.7	172.4	176	60.8	0	0	0	111.2	I626 A627 T628 E632 A633 I634 L641 L664 L669	I626-L630 WeakPolarHBondContact O-CB 3.32Å; I626-L630 PolarHBondContact O-N 3.09Å; A627-L630 WeakPolarHBondContact O-CB 3.18Å; A627-L630 PolarHBondContact O-N 3.04Å; T628-L630 VanDerWaalsContact C-N 3.34Å; T628-L630 PolarHBondContact O-N 3.29Å; L630-E632 PolarHBondContact O-N 2.96Å; L630-A633 WeakPolarHBondContact O-CB 3.23Å; L630-A633 PolarHBondContact O-N 2.99Å; L630-I634 HydrophobicContact CD1-CD1 4Å; L630-I634 HydrophobicContact CD1-CG1 4.33Å; L630-I634 HydrophobicContact CG-CD1 4.05Å; L630-I634 VanDerWaalsContact O-CG1 3.31Å; L630-I634 WeakPolarHBondContact O-CG1 3.21Å; L630-I634 PolarHBondContact O-N 2.67Å; L630-L641 HydrophobicContact CB-CD1 3.75Å; L630-L641 HydrophobicContact CB-CG 4.18Å; L630-L641 HydrophobicContact CD1-CD1 4.18Å; L630-L641 HydrophobicContact CD1-CG 3.79Å; L630-L641 HydrophobicContact CG-CD1 4.5Å; L630-L664 HydrophobicContact CD1-CD2 4.44Å; L630-L664 HydrophobicContact CD2-CD2 3.69Å; L630-L664 HydrophobicContact CD2-CG 4.39Å; L630-L669 HydrophobicContact CD2-CD1 3.78Å; L630-L669 HydrophobicContact CD2-CD2 3.94Å; L630-L669 HydrophobicContact CD2-CG 4.43Å; L630-L669 HydrophobicContact CG-CD1 4.41Å
631	D	87	Confident	88	Confident	84 Å²	84	45 Å²	45	45%	0.449	25%	0.251	S	S	.	.	H	α-helix	trans	-62.9	-41.3	177.7	-76.4	-11.2	0	0	0	111.8	A627 T628 I634 K635	A627-D631 PolarHBondContact O-N 2.99Å; T628-D631 PolarHBondContact O-N 3.3Å; D631-I634 PolarHBondContact O-N 3.32Å; D631-K635 WeakPolarHBondContact O-CB 3.29Å; D631-K635 VanDerWaalsContact O-CG 3.28Å; D631-K635 WeakPolarHBondContact O-CG 3.37Å; D631-K635 PolarHBondContact O-N 2.74Å
632	E	93.3	Very high	88.7	Confident	99 Å²	99	42.4 Å²	42.4	46%	0.463	23%	0.23	S	C	.	.	H	α-helix	trans	-61.7	-42.3	173.5	-71.5	177.7	172.1	0	0	112.2	Y455 T628 L630 I634 K635 G636	Y455-E632 WeakPolarHBondContact OH-CB 3.49Å; T628-E632 WeakPolarHBondContact O-CG 3.44Å; T628-E632 PolarHBondContact O-N 2.93Å; L630-E632 PolarHBondContact O-N 2.96Å; E632-I634 PolarHBondContact O-N 2.93Å; E632-K635 PolarHBondContact O-N 3.41Å; E632-G636 PolarHBondContact O-N 2.83Å
633	A	93.7	Very high	89.3	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60.3	-46.2	177.1	0	0	0	0	0	111.4	Y455 F629 L630 G636 N637 C638 L641	Y455-A633 HydrophobicContact CD1-CB 3.53Å; Y455-A633 HydrophobicContact CD2-CB 4.28Å; Y455-A633 HydrophobicContact CE1-CB 3.5Å; Y455-A633 HydrophobicContact CE2-CB 4.28Å; Y455-A633 HydrophobicContact CG-CB 3.94Å; F629-A633 WeakPolarHBondContact O-CB 3.25Å; F629-A633 PolarHBondContact O-N 2.81Å; L630-A633 WeakPolarHBondContact O-CB 3.23Å; L630-A633 PolarHBondContact O-N 2.99Å; A633-G636 CarbonylContact O-C 3.52Å; A633-G636 PolarHBondContact O-N 2.83Å; A633-N637 PolarHBondContact O-N 3.02Å; A633-C638 HydrophobicContact CB-CB 4.19Å; A633-C638 WeakPolarHBondContact O-CA 3.49Å; A633-C638 WeakPolarHBondContact O-CB 3.4Å; A633-C638 PolarHBondContact O-N 3.26Å; A633-L641 HydrophobicContact CB-CD2 4.02Å
634	I	88	Confident	90.2	Very high	22 Å²	22	36.7 Å²	36.7	11%	0.113	20%	0.196	C	C	.	.	H	α-helix	trans	-64.8	-48.3	-179.6	-62.7	167.7	0	0	0	109.9	L630 D631 E632 G636 N637 K666 L669 E820	L630-I634 HydrophobicContact CD1-CD1 4Å; L630-I634 HydrophobicContact CD1-CG1 4.33Å; L630-I634 HydrophobicContact CG-CD1 4.05Å; L630-I634 VanDerWaalsContact O-CG1 3.31Å; L630-I634 WeakPolarHBondContact O-CG1 3.21Å; L630-I634 PolarHBondContact O-N 2.67Å; D631-I634 PolarHBondContact O-N 3.32Å; E632-I634 PolarHBondContact O-N 2.93Å; I634-G636 PolarHBondContact O-N 2.89Å; I634-N637 WeakPolarHBondContact O-CA 3.31Å; I634-N637 PolarHBondContact O-N 2.84Å; I634-K666 HydrophobicContact CD1-CB 3.9Å; I634-K666 HydrophobicContact CG1-CB 4.19Å; I634-L669 HydrophobicContact CD1-CD1 4.17Å; I634-E820 WeakPolarHBondContact CG2-OE2 3.15Å; I634-E820 VanDerWaalsContact O-OE2 3.13Å
635	K	87.4	Confident	91	Very high	120 Å²	120	31.5 Å²	31.5	52%	0.522	17%	0.169	S	C	.	.	H	α-helix	trans	-57.6	-34.1	174.8	-73.1	170.8	-174.3	165.9	0	112.5	D631 E632 N637 E820 N824	D631-K635 WeakPolarHBondContact O-CB 3.29Å; D631-K635 VanDerWaalsContact O-CG 3.28Å; D631-K635 WeakPolarHBondContact O-CG 3.37Å; D631-K635 PolarHBondContact O-N 2.74Å; E632-K635 PolarHBondContact O-N 3.41Å; K635-N637 PolarHBondContact O-N 3.25Å; K635-E820 VanDerWaalsContact CA-OE2 3.27Å; K635-E820 WeakPolarHBondContact CA-OE2 3.46Å; K635-E820 PolarHBondContact N-OE2 3.49Å; K635-E820 VanDerWaalsContact N-OE2 3.15Å; K635-N824 PolarHBondContact O-ND2 2.92Å
636	G	89.5	Confident	91.4	Very high	31 Å²	31	27 Å²	27	32%	0.32	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	16	173.9	0	0	0	0	0	115.2	E632 A633 I634 C638	E632-G636 PolarHBondContact O-N 2.83Å; A633-G636 CarbonylContact O-C 3.52Å; A633-G636 PolarHBondContact O-N 2.83Å; I634-G636 PolarHBondContact O-N 2.89Å; G636-C638 VanDerWaalsContact C-N 3.29Å; G636-C638 PolarHBondContact O-N 2.93Å
637	N	89.1	Confident	91.8	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.016	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.8	21.9	-178.7	-59.4	-32.4	0	0	0	115.2	I551 A633 I634 K635 Q821 N824	I551-N637 HydrophobicContact CB-CB 4.38Å; I551-N637 PolarHBondContact O-ND2 3.04Å; A633-N637 PolarHBondContact O-N 3.02Å; I634-N637 WeakPolarHBondContact O-CA 3.31Å; I634-N637 PolarHBondContact O-N 2.84Å; K635-N637 PolarHBondContact O-N 3.25Å; N637-Q821 HydrophobicContact CB-CG 4.35Å; N637-Q821 VanDerWaalsContact OD1-CA 3.29Å; N637-Q821 WeakPolarHBondContact OD1-CA 3.13Å; N637-N824 PolarHBondContact OD1-ND2 3Å
638	C	92.3	Very high	92.1	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.014	18%	0.176	C	C	.	.			trans	-86.5	163	172.3	-58.7	0	0	0	0	111.8	K456 A633 G636 G640	K456-C638 WeakPolarHBondContact O-CB 3.38Å; A633-C638 HydrophobicContact CB-CB 4.19Å; A633-C638 WeakPolarHBondContact O-CA 3.49Å; A633-C638 WeakPolarHBondContact O-CB 3.4Å; A633-C638 PolarHBondContact O-N 3.26Å; G636-C638 VanDerWaalsContact C-N 3.29Å; G636-C638 PolarHBondContact O-N 2.93Å; C638-G640 VanDerWaalsContact C-N 3.32Å
639	E	89.3	Confident	92.2	Very high	26 Å²	26	37.6 Å²	37.6	12%	0.121	19%	0.186	C	C	.	.			trans	-80.5	-10.5	179	-63.5	-157.7	141.1	0	0	113.9	K456 D458 K665 K666	K456-E639 HydrophobicContact CD-CB 4.16Å; K456-E639 HydrophobicContact CG-CB 4.34Å; K456-E639 IonicContact NZ-OE2 3.13Å; K456-E639 PolarHBondContact NZ-OE2 3Å; K456-E639 PolarHBondContact O-N 2.81Å; D458-E639 HydrophobicContact CB-CG 3.6Å; E639-K665 WeakPolarHBondContact O-CA 3.39Å; E639-K665 IonicContact OE1-NZ 3.68Å; E639-K665 WeakPolarHBondContact OE2-CE 3.38Å; E639-K665 IonicContact OE2-NZ 3.48Å; E639-K665 PolarHBondContact OE2-NZ 2.83Å; E639-K666 PolarHBondContact O-N 2.91Å
640	G	93.3	Very high	92.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	142	-138.8	-175.8	0	0	0	0	0	111.8	K456 C638 L664	K456-G640 VanDerWaalsContact CB-C 3.46Å; K456-G640 VanDerWaalsContact CB-O 3.28Å; K456-G640 WeakPolarHBondContact CB-O 3.31Å; K456-G640 PolarHBondContact N-O 2.85Å; C638-G640 VanDerWaalsContact C-N 3.32Å; G640-L664 CarbonylContact C-O 3.45Å; G640-L664 WeakPolarHBondContact CA-O 3.1Å
641	L	96.1	Very high	92.2	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	146.3	-178.1	-61.4	179.1	0	0	0	113.2	C453 E454 Y455 I626 F629 L630 A633 I643 K663 L664	C453-L641 HydrophobicContact CB-CD1 4.31Å; E454-L641 CarbonylContact O-C 3.57Å; E454-L641 WeakPolarHBondContact O-CA 3.37Å; Y455-L641 HydrophobicContact CD1-CD2 3.96Å; Y455-L641 HydrophobicContact CE1-CD2 4.47Å; I626-L641 HydrophobicContact CG2-CD1 4.13Å; F629-L641 HydrophobicContact CD1-CD1 4.02Å; F629-L641 HydrophobicContact CD1-CD2 3.48Å; F629-L641 VanDerWaalsContact CD1-CD2 3.48Å; F629-L641 HydrophobicContact CD1-CG 4.41Å; F629-L641 HydrophobicContact CE1-CD2 3.58Å; L630-L641 HydrophobicContact CB-CD1 3.75Å; L630-L641 HydrophobicContact CB-CG 4.18Å; L630-L641 HydrophobicContact CD1-CD1 4.18Å; L630-L641 HydrophobicContact CD1-CG 3.79Å; L630-L641 HydrophobicContact CG-CD1 4.5Å; A633-L641 HydrophobicContact CB-CD2 4.02Å; L641-I643 HydrophobicContact CB-CD1 4.23Å; L641-K663 WeakPolarHBondContact O-CA 3.47Å; L641-L664 PolarHBondContact N-O 3.45Å; L641-L664 PolarHBondContact O-N 3.26Å
642	M	97	Very high	92.6	Very high	30 Å²	30	35.5 Å²	35.5	15%	0.148	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	128.4	163.3	-63.9	-61	-59.2	0	0	107.6	A433 C453 E454 K456 W661 L662 K663	A433-M642 HydrophobicContact CB-CE 3.56Å; C453-M642 CarbonylContact C-O 3.52Å; C453-M642 WeakPolarHBondContact CA-O 3.48Å; E454-M642 HydrophobicContact CB-CB 4.32Å; E454-M642 PolarHBondContact N-O 3.49Å; E454-M642 PolarHBondContact O-N 2.98Å; K456-M642 HydrophobicContact CB-CG 3.85Å; K456-M642 HydrophobicContact CB-SD 4.18Å; K456-M642 HydrophobicContact CD-SD 3.85Å; K456-M642 HydrophobicContact CG-CG 3.91Å; K456-M642 HydrophobicContact CG-SD 3.67Å; M642-W661 HydrophobicContact CE-CE3 4.3Å; M642-L662 WeakPolarHBondContact CA-O 3.39Å; M642-K663 HydrophobicContact CE-CB 4.4Å; M642-K663 HydrophobicContact SD-CB 3.83Å
643	I	95.7	Very high	92.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	125.8	179.8	-48.6	82	0	0	0	107.9	T436 I442 F446 F451 T452 L641 W661 L662 L664	T436-I643 HydrophobicContact CG2-CD1 4.44Å; I442-I643 HydrophobicContact CD1-CD1 3.56Å; I442-I643 HydrophobicContact CD1-CG1 3.75Å; I442-I643 HydrophobicContact CG1-CD1 4.19Å; I442-I643 HydrophobicContact CG1-CG1 4.23Å; I442-I643 HydrophobicContact CG2-CB 4.4Å; I442-I643 HydrophobicContact CG2-CG1 4.27Å; I442-I643 HydrophobicContact CG2-CG2 3.76Å; F446-I643 HydrophobicContact CD2-CG2 3.85Å; F446-I643 HydrophobicContact CE2-CB 4.12Å; F446-I643 HydrophobicContact CE2-CG2 3.54Å; F451-I643 HydrophobicContact CB-CG2 4.36Å; F451-I643 HydrophobicContact CD2-CG2 3.44Å; F451-I643 VanDerWaalsContact CD2-CG2 3.44Å; F451-I643 HydrophobicContact CE2-CG2 3.97Å; F451-I643 HydrophobicContact CG-CG2 4.09Å; T452-I643 CarbonylContact O-C 3.58Å; T452-I643 WeakPolarHBondContact O-CA 3.48Å; L641-I643 HydrophobicContact CB-CD1 4.23Å; I643-W661 CarbonylContact O-C 3.58Å; I643-W661 WeakPolarHBondContact O-CA 3.5Å; I643-L662 HydrophobicContact CB-CB 4.26Å; I643-L662 HydrophobicContact CD1-CB 4.3Å; I643-L662 PolarHBondContact N-O 3.31Å; I643-L662 PolarHBondContact O-N 2.84Å; I643-L664 HydrophobicContact CD1-CB 3.8Å
644	K	96.2	Very high	92	Very high	3 Å²	3	34.2 Å²	34.2	1%	0.013	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	129.8	-172.2	-53.5	176.3	176.1	171.9	0	110.4	F451 T452 E454 L594 S660 W661	F451-K644 CarbonylContact C-O 3.4Å; F451-K644 VanDerWaalsContact CA-O 3.23Å; F451-K644 WeakPolarHBondContact CA-O 3.48Å; F451-K644 WeakPolarHBondContact CB-O 3.34Å; T452-K644 HydrophobicContact CG2-CB 3.98Å; T452-K644 PolarHBondContact N-O 2.86Å; T452-K644 PolarHBondContact O-N 2.94Å; E454-K644 IonicContact OE1-NZ 2.98Å; E454-K644 VanDerWaalsContact OE2-CE 3.25Å; E454-K644 WeakPolarHBondContact OE2-CE 3.37Å; E454-K644 IonicContact OE2-NZ 2.7Å; E454-K644 PolarHBondContact OE2-NZ 3Å; L594-K644 HydrophobicContact CD2-CB 3.45Å; L594-K644 VanDerWaalsContact CD2-CB 3.45Å; L594-K644 HydrophobicContact CD2-CD 3.68Å; L594-K644 HydrophobicContact CD2-CG 4.23Å; K644-S660 WeakPolarHBondContact CA-O 3.46Å; K644-W661 HydrophobicContact CD-CD2 4.25Å; K644-W661 HydrophobicContact CD-CZ2 3.89Å; K644-W661 HydrophobicContact CG-CD2 4.13Å; K644-W661 HydrophobicContact CG-CG 3.98Å
645	T	95.4	Very high	91.7	Very high	6 Å²	6	34.7 Å²	34.7	4%	0.037	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	142.7	170.7	65.5	0	0	0	0	110.2	F446 R648 S650 S660	F446-T645 HydrophobicContact CD1-CG2 3.8Å; F446-T645 HydrophobicContact CD2-CG2 4.21Å; F446-T645 HydrophobicContact CE1-CG2 3.66Å; F446-T645 HydrophobicContact CE2-CG2 4.06Å; F446-T645 HydrophobicContact CG-CG2 4.09Å; F446-T645 HydrophobicContact CZ-CG2 3.78Å; T645-R648 WeakPolarHBondContact CB-O 3.37Å; T645-R648 PolarHBondContact OG1-O 2.68Å; T645-S650 WeakPolarHBondContact O-CB 3.13Å; T645-S660 PolarHBondContact N-O 3.19Å; T645-S660 WeakPolarHBondContact OG1-CB 3.42Å
646	L	95.6	Very high	91.4	Very high	6 Å²	6	35.1 Å²	35.1	3%	0.031	18%	0.181	C	C	.	.	S	Bend	trans	-89.8	-37.3	-175.2	-74.7	174.3	0	0	0	113.1	D450 T452 L594 R595 S650	D450-L646 HydrophobicContact CB-CB 4.26Å; D450-L646 HydrophobicContact CB-CD1 4.27Å; D450-L646 PolarHBondContact O-N 3.27Å; T452-L646 HydrophobicContact CG2-CD2 3.86Å; T452-L646 HydrophobicContact CG2-CG 4.47Å; L594-L646 HydrophobicContact CD2-CD2 4.34Å; L594-L646 HydrophobicContact CG-CD2 4.42Å; L594-L646 PolarHBondContact N-O 3Å; R595-L646 HydrophobicContact CB-CB 4.42Å; R595-L646 PolarHBondContact N-O 2.95Å; L646-S650 WeakPolarHBondContact O-CB 3.45Å; L646-S650 PolarHBondContact O-OG 2.59Å
647	D	94.3	Very high	91.2	Very high	57 Å²	57	37.8 Å²	37.8	31%	0.305	18%	0.181	S	C	.	.	S	Bend	trans	-125.9	-64.5	-169.4	-52.7	-74.3	0	0	0	111.7	R595 N649 S650	R595-D647 WeakPolarHBondContact CB-OD1 3.19Å; R595-D647 WeakPolarHBondContact CD-OD1 3.46Å; R595-D647 IonicContact CZ-OD1 3.77Å; R595-D647 IonicContact CZ-OD2 3.57Å; R595-D647 IonicContact NE-OD1 2.66Å; R595-D647 PolarHBondContact NE-OD1 2.94Å; R595-D647 IonicContact NE-OD2 3.04Å; R595-D647 PolarHBondContact NE-OD2 2.7Å; R595-D647 VanDerWaalsContact NE-OD2 3.14Å; R595-D647 IonicContact NH2-OD1 2.7Å; R595-D647 IonicContact NH2-OD2 3.17Å; R595-D647 PolarHBondContact NH2-OD2 2.87Å; D647-N649 PolarHBondContact O-N 2.84Å; D647-S650 VanDerWaalsContact C-OG 3.26Å; D647-S650 WeakPolarHBondContact CA-OG 3.4Å; D647-S650 PolarHBondContact N-OG 2.7Å; D647-S650 WeakPolarHBondContact O-CB 3.2Å; D647-S650 PolarHBondContact O-OG 2.85Å
648	R	89.1	Confident	91	Very high	146 Å²	146	37.7 Å²	37.7	55%	0.551	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.6	128.2	180	-67.2	-177.4	178.1	-176.6	0.8	111.4	E448 T645 S650	E448-R648 PolarHBondContact O-NH1 3.09Å; E448-R648 IonicContact OE2-NH1 3.6Å; T645-R648 WeakPolarHBondContact CB-O 3.37Å; T645-R648 PolarHBondContact OG1-O 2.68Å; R648-S650 PolarHBondContact O-N 2.81Å; R648-S650 VanDerWaalsContact O-N 3.08Å
649	N	88.1	Confident	90.6	Very high	132 Å²	132	42.9 Å²	42.9	71%	0.706	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.9	32.6	179.8	-62.8	-40.3	0	0	0	113.7	D647 S660	D647-N649 PolarHBondContact O-N 2.84Å; N649-S660 WeakPolarHBondContact O-CB 3.22Å; N649-S660 PolarHBondContact O-OG 2.91Å
650	S	93.2	Very high	90.7	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.021	20%	0.203	C	C	.	.			trans	-99	16.7	-169.8	66.5	0	0	0	0	114.4	P593 L594 R597 T645 L646 D647 R648	P593-S650 WeakPolarHBondContact CA-OG 3.27Å; P593-S650 WeakPolarHBondContact CB-OG 3.44Å; L594-S650 PolarHBondContact N-O 2.78Å; L594-S650 PolarHBondContact N-OG 2.86Å; L594-S650 VanDerWaalsContact N-OG 3.15Å; R597-S650 PolarHBondContact NH2-O 3.21Å; T645-S650 WeakPolarHBondContact O-CB 3.13Å; L646-S650 WeakPolarHBondContact O-CB 3.45Å; L646-S650 PolarHBondContact O-OG 2.59Å; D647-S650 VanDerWaalsContact C-OG 3.26Å; D647-S650 WeakPolarHBondContact CA-OG 3.4Å; D647-S650 PolarHBondContact N-OG 2.7Å; D647-S650 WeakPolarHBondContact O-CB 3.2Å; D647-S650 PolarHBondContact O-OG 2.85Å; R648-S650 PolarHBondContact O-N 2.81Å; R648-S650 VanDerWaalsContact O-N 3.08Å
651	T	93.3	Very high	90.8	Very high	52 Å²	52	42.4 Å²	42.4	32%	0.319	20%	0.204	S	C	.	.	S	Bend	trans	-67.5	160.3	175.3	61.1	0	0	0	0	111.4	I590 E591 E653	I590-T651 WeakPolarHBondContact O-CB 3.31Å; E591-T651 VanDerWaalsContact O-CG2 3.29Å; E591-T651 WeakPolarHBondContact O-CG2 3.2Å; T651-E653 PolarHBondContact O-N 3.27Å
652	Y	93.7	Very high	90.7	Very high	7 Å²	7	42.9 Å²	42.9	3%	0.027	21%	0.206	C	C	.	.			trans	-81.5	101.3	176.5	-165.2	-89.1	0	0	0	111.1	P430 M431 R461 D538 L582 I590 I654 W661	P430-Y652 VanDerWaalsContact CA-OH 3.3Å; P430-Y652 WeakPolarHBondContact CA-OH 3.16Å; M431-Y652 HydrophobicContact CB-CD1 4.23Å; M431-Y652 HydrophobicContact CB-CD2 4.09Å; M431-Y652 HydrophobicContact CB-CE1 3.89Å; M431-Y652 HydrophobicContact CB-CE2 3.78Å; M431-Y652 HydrophobicContact CB-CG 4.34Å; M431-Y652 PolarHBondContact N-OH 2.78Å; M431-Y652 VanDerWaalsContact N-OH 3.12Å; M431-Y652 HydrophobicContact SD-CD2 4.18Å; M431-Y652 HydrophobicContact SD-CG 4.42Å; R461-Y652 PolarHBondContact NH2-OH 2.66Å; D538-Y652 PolarHBondContact OD2-OH 3.49Å; L582-Y652 HydrophobicContact CD1-CE1 4.07Å; L582-Y652 HydrophobicContact CD1-CE2 4.27Å; L582-Y652 HydrophobicContact CD2-CD1 4.12Å; L582-Y652 HydrophobicContact CD2-CD2 3.37Å; L582-Y652 HydrophobicContact CD2-CE1 4.26Å; L582-Y652 HydrophobicContact CD2-CE2 3.5Å; L582-Y652 VanDerWaalsContact CD2-CE2 3.5Å; L582-Y652 HydrophobicContact CD2-CG 3.67Å; I590-Y652 HydrophobicContact CG2-CD1 4.45Å; I590-Y652 PolarHBondContact O-N 3.19Å; Y652-I654 HydrophobicContact CD1-CG1 3.84Å; Y652-I654 HydrophobicContact CE1-CG1 4.15Å; Y652-I654 PolarHBondContact O-N 3.15Å; Y652-I654 VanDerWaalsContact O-N 3.13Å; Y652-W661 HydrophobicContact CE2-CH2 4.26Å
653	E	90.3	Very high	90.5	Very high	56 Å²	56	43.8 Å²	43.8	26%	0.262	21%	0.209	S	C	.	.			trans	-84.3	89.2	-177.8	-59.1	-169.4	133.1	0	0	112.5	M431 T651 A655 K656 S658	M431-E653 HydrophobicContact CE-CB 4.18Å; M431-E653 HydrophobicContact CE-CG 4.18Å; M431-E653 HydrophobicContact CG-CB 4.3Å; M431-E653 HydrophobicContact SD-CB 4.45Å; M431-E653 PolarHBondContact SD-N 3.07Å; M431-E653 VanDerWaalsContact SD-N 3.45Å; T651-E653 PolarHBondContact O-N 3.27Å; E653-A655 PolarHBondContact O-N 3.07Å; E653-K656 HydrophobicContact CB-CB 4.05Å; E653-K656 HydrophobicContact CB-CD 4.38Å; E653-K656 PolarHBondContact O-N 3.1Å; E653-S658 WeakPolarHBondContact OE2-CA 3.03Å; E653-S658 WeakPolarHBondContact OE2-CB 3.34Å; E653-S658 PolarHBondContact OE2-OG 2.97Å
654	I	85.6	Confident	90.3	Very high	16 Å²	16	43.8 Å²	43.8	8%	0.082	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	129.8	-177.9	-58.8	167.1	0	0	0	111.9	C396 V397 L428 K429 I590 Y652 K656	C396-I654 HydrophobicContact CB-CB 4.06Å; C396-I654 HydrophobicContact CB-CG2 3.61Å; C396-I654 WeakPolarHBondContact O-CG2 3.37Å; V397-I654 HydrophobicContact CB-CD1 4.42Å; V397-I654 HydrophobicContact CG1-CD1 3.74Å; L428-I654 HydrophobicContact CD2-CD1 3.91Å; K429-I654 HydrophobicContact CB-CG2 4.05Å; K429-I654 WeakPolarHBondContact O-CG2 3.38Å; I590-I654 HydrophobicContact CD1-CD1 3.7Å; Y652-I654 HydrophobicContact CD1-CG1 3.84Å; Y652-I654 HydrophobicContact CE1-CG1 4.15Å; Y652-I654 PolarHBondContact O-N 3.15Å; Y652-I654 VanDerWaalsContact O-N 3.13Å; I654-K656 PolarHBondContact O-N 2.91Å
655	A	80.7	Confident	89.9	Confident	32 Å²	32	44.8 Å²	44.8	26%	0.264	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	7.4	177.4	0	0	0	0	0	116	K429 E653	K429-A655 HydrophobicContact CB-CB 3.66Å; K429-A655 HydrophobicContact CD-CB 3.61Å; K429-A655 HydrophobicContact CG-CB 4.29Å; K429-A655 PolarHBondContact O-N 2.93Å; E653-A655 PolarHBondContact O-N 3.07Å
656	K	81.5	Confident	89.2	Confident	130 Å²	130	46 Å²	46	57%	0.565	22%	0.218	S	C	*	.	S	Bend	trans	-101	148.2	178	-68.8	-177	179.5	179	0	110.6	L432 E653 I654 S658	L432-K656 WeakPolarHBondContact CB-O 3.38Å; L432-K656 PolarHBondContact N-O 3.13Å; E653-K656 HydrophobicContact CB-CB 4.05Å; E653-K656 HydrophobicContact CB-CD 4.38Å; E653-K656 PolarHBondContact O-N 3.1Å; I654-K656 PolarHBondContact O-N 2.91Å; K656-S658 PolarHBondContact O-N 3.29Å
657	R	84.5	Confident	88	Confident	87 Å²	87	47.3 Å²	47.3	33%	0.328	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	105.6	162.6	-175.5	175.1	-65.2	-176	1	106.7	D51 L432 S434	D51-R657 IonicContact OD1-NH2 3.32Å; D51-R657 PolarHBondContact OD1-NH2 3.42Å; L432-R657 HydrophobicContact CB-CB 4.45Å; L432-R657 CarbonylContact O-C 3.55Å; L432-R657 WeakPolarHBondContact O-CA 3.47Å; S434-R657 WeakPolarHBondContact OG-CG 3.49Å
658	S	86.4	Confident	86.8	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.007	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	149.3	-176.3	-167.9	0	0	0	0	111.1	M431 L432 S434 E653 K656 S660	M431-S658 WeakPolarHBondContact CE-OG 3.45Å; L432-S658 PolarHBondContact O-N 2.7Å; S434-S658 PolarHBondContact OG-O 3.25Å; E653-S658 WeakPolarHBondContact OE2-CA 3.03Å; E653-S658 WeakPolarHBondContact OE2-CB 3.34Å; E653-S658 PolarHBondContact OE2-OG 2.97Å; K656-S658 PolarHBondContact O-N 3.29Å; S658-S660 WeakPolarHBondContact OG-CB 3.47Å; S658-S660 PolarHBondContact OG-N 3.38Å; S658-S660 VanDerWaalsContact OG-N 3.09Å
659	H	84.3	Confident	85.7	Confident	110 Å²	110	41.4 Å²	41.4	51%	0.509	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	-15	166.3	-68.4	-66.7	0	0	0	112.8	R445 F446 W661	R445-H659 VanDerWaalsContact NH2-CB 3.26Å; F446-H659 VanDerWaalsContact CE1-O 3.31Å; F446-H659 WeakPolarHBondContact CE1-O 3.41Å; H659-W661 VanDerWaalsContact C-N 3.28Å
660	S	91.2	Very high	84.3	Confident	12 Å²	12	44.4 Å²	44.4	8%	0.084	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	-13.8	176.8	-52.6	0	0	0	0	112.7	K644 T645 N649 S658	K644-S660 WeakPolarHBondContact CA-O 3.46Å; T645-S660 PolarHBondContact N-O 3.19Å; T645-S660 WeakPolarHBondContact OG1-CB 3.42Å; N649-S660 WeakPolarHBondContact O-CB 3.22Å; N649-S660 PolarHBondContact O-OG 2.91Å; S658-S660 WeakPolarHBondContact OG-CB 3.47Å; S658-S660 PolarHBondContact OG-N 3.38Å; S658-S660 VanDerWaalsContact OG-N 3.09Å
661	W	93.9	Very high	82.6	Confident	5 Å²	5	48.4 Å²	48.4	2%	0.019	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	117.1	170.9	-79.2	22.8	0	0	0	109.8	M431 A433 S434 F579 M642 I643 K644 Y652 H659	M431-W661 HydrophobicContact CB-CZ3 4.35Å; M431-W661 HydrophobicContact CE-CB 4.37Å; M431-W661 HydrophobicContact CE-CD2 4.1Å; M431-W661 HydrophobicContact CE-CG 3.77Å; M431-W661 HydrophobicContact CG-CD2 4.24Å; M431-W661 HydrophobicContact CG-CE3 4.24Å; M431-W661 HydrophobicContact SD-CD2 3.82Å; M431-W661 HydrophobicContact SD-CE3 4.34Å; M431-W661 HydrophobicContact SD-CG 4.16Å; M431-W661 HydrophobicContact SD-CH2 4.46Å; M431-W661 HydrophobicContact SD-CZ2 3.97Å; A433-W661 CarbonylContact C-O 3.53Å; A433-W661 VanDerWaalsContact CA-O 3.22Å; A433-W661 WeakPolarHBondContact CA-O 3.36Å; A433-W661 HydrophobicContact CB-CB 3.83Å; A433-W661 WeakPolarHBondContact CB-O 3.47Å; S434-W661 PolarHBondContact N-O 3.21Å; F579-W661 HydrophobicContact CD2-CH2 4.18Å; F579-W661 AromaticContact CE2-CH2 3.83Å; F579-W661 HydrophobicContact CE2-CH2 3.83Å; F579-W661 HydrophobicContact CE2-CZ3 4.35Å; M642-W661 HydrophobicContact CE-CE3 4.3Å; I643-W661 CarbonylContact O-C 3.58Å; I643-W661 WeakPolarHBondContact O-CA 3.5Å; K644-W661 HydrophobicContact CD-CD2 4.25Å; K644-W661 HydrophobicContact CD-CZ2 3.89Å; K644-W661 HydrophobicContact CG-CD2 4.13Å; K644-W661 HydrophobicContact CG-CG 3.98Å; Y652-W661 HydrophobicContact CE2-CH2 4.26Å; H659-W661 VanDerWaalsContact C-N 3.28Å
662	L	94.2	Very high	80.8	Confident	9 Å²	9	48.7 Å²	48.7	5%	0.047	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	155.2	171	-54.7	178.5	0	0	0	110.5	S434 T436 I442 R445 F446 M642 I643	S434-L662 CarbonylContact O-C 3.54Å; S434-L662 WeakPolarHBondContact O-CA 3.39Å; T436-L662 HydrophobicContact CG2-CB 3.89Å; T436-L662 HydrophobicContact CG2-CD1 4.37Å; I442-L662 HydrophobicContact CG1-CD1 4.1Å; R445-L662 HydrophobicContact CB-CD1 4.36Å; R445-L662 HydrophobicContact CG-CD1 4.25Å; F446-L662 HydrophobicContact CE1-CD1 4.13Å; F446-L662 HydrophobicContact CE1-CG 4.27Å; F446-L662 HydrophobicContact CE2-CD1 4.05Å; F446-L662 HydrophobicContact CE2-CG 4.21Å; F446-L662 HydrophobicContact CZ-CD1 3.76Å; F446-L662 HydrophobicContact CZ-CG 3.67Å; M642-L662 WeakPolarHBondContact CA-O 3.39Å; I643-L662 HydrophobicContact CB-CB 4.26Å; I643-L662 HydrophobicContact CD1-CB 4.3Å; I643-L662 PolarHBondContact N-O 3.31Å; I643-L662 PolarHBondContact O-N 2.84Å
663	K	94.2	Very high	79.3	Confident	50 Å²	50	49.9 Å²	49.9	22%	0.217	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	118.5	170.2	65.7	-171.1	179.2	-171.3	0	109.2	A433 S434 T436 K456 L641 M642	A433-K663 HydrophobicContact CB-CB 4.19Å; A433-K663 HydrophobicContact CB-CD 4.44Å; A433-K663 HydrophobicContact CB-CG 4.42Å; S434-K663 PolarHBondContact O-N 2.95Å; T436-K663 PolarHBondContact N-O 3.09Å; T436-K663 VanDerWaalsContact N-O 3.09Å; K456-K663 HydrophobicContact CD-CB 4.39Å; L641-K663 WeakPolarHBondContact O-CA 3.47Å; M642-K663 HydrophobicContact CE-CB 4.4Å; M642-K663 HydrophobicContact SD-CB 3.83Å
664	L	91.8	Very high	78.5	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	112.7	170.6	-178.8	62.3	0	0	0	107.3	T436 I439 I442 L630 G640 L641 I643 L669	T436-L664 HydrophobicContact CG2-CB 3.98Å; T436-L664 HydrophobicContact CG2-CD1 4.35Å; I439-L664 HydrophobicContact CG1-CD2 4.08Å; I442-L664 HydrophobicContact CD1-CB 4.25Å; I442-L664 HydrophobicContact CD1-CD2 3.94Å; L630-L664 HydrophobicContact CD1-CD2 4.44Å; L630-L664 HydrophobicContact CD2-CD2 3.69Å; L630-L664 HydrophobicContact CD2-CG 4.39Å; G640-L664 CarbonylContact C-O 3.45Å; G640-L664 WeakPolarHBondContact CA-O 3.1Å; L641-L664 PolarHBondContact N-O 3.45Å; L641-L664 PolarHBondContact O-N 3.26Å; I643-L664 HydrophobicContact CD1-CB 3.8Å; L664-L669 HydrophobicContact CD1-CD2 4.15Å
665	K	87.6	Confident	78.6	Confident	24 Å²	24	52.7 Å²	52.7	10%	0.104	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	151.1	178.3	-73.7	-176.3	163.5	-119.5	0	110.2	K456 E639 D667 Y668	K456-K665 HydrophobicContact CD-CG 4.18Å; E639-K665 WeakPolarHBondContact O-CA 3.39Å; E639-K665 IonicContact OE1-NZ 3.68Å; E639-K665 WeakPolarHBondContact OE2-CE 3.38Å; E639-K665 IonicContact OE2-NZ 3.48Å; E639-K665 PolarHBondContact OE2-NZ 2.83Å; K665-D667 HydrophobicContact CB-CB 4.36Å; K665-D667 PolarHBondContact O-N 3.32Å; K665-D667 VanDerWaalsContact O-N 3.11Å; K665-Y668 HydrophobicContact CB-CD2 3.78Å; K665-Y668 HydrophobicContact CB-CE2 3.89Å; K665-Y668 HydrophobicContact CB-CG 4.34Å; K665-Y668 HydrophobicContact CD-CE2 4.15Å; K665-Y668 HydrophobicContact CG-CD2 4.41Å; K665-Y668 HydrophobicContact CG-CE2 4.05Å; K665-Y668 PolarHBondContact O-N 3.48Å
666	K	80.2	Confident	79.3	Confident	30 Å²	30	51.2 Å²	51.2	13%	0.13	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-48.9	-37.3	168.6	70.9	178.7	-172.4	172.3	0	112.2	I634 E639 Y668 L669 V672 A766 D767	I634-K666 HydrophobicContact CD1-CB 3.9Å; I634-K666 HydrophobicContact CG1-CB 4.19Å; E639-K666 PolarHBondContact O-N 2.91Å; K666-Y668 PolarHBondContact O-N 3.22Å; K666-L669 PolarHBondContact O-N 3.48Å; K666-V672 HydrophobicContact CB-CG1 4.3Å; K666-A766 WeakPolarHBondContact CE-O 3.44Å; K666-D767 IonicContact NZ-OD2 2.78Å; K666-D767 PolarHBondContact NZ-OD2 3.41Å
667	D	69.6	Low	80.1	Confident	35 Å²	35	45.6 Å²	45.6	19%	0.187	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-61	-27.2	-179	-47.8	-21.9	0	0	0	114.4	K665 K764 A766	K665-D667 HydrophobicContact CB-CB 4.36Å; K665-D667 PolarHBondContact O-N 3.32Å; K665-D667 VanDerWaalsContact O-N 3.11Å; D667-K764 PolarHBondContact O-NZ 2.95Å; D667-K764 VanDerWaalsContact O-NZ 3.14Å; D667-A766 VanDerWaalsContact CG-CB 3.45Å; D667-A766 WeakPolarHBondContact OD1-CA 3.25Å; D667-A766 WeakPolarHBondContact OD1-CB 3.46Å
668	Y	68.7	Low	80.8	Confident	48 Å²	48	41.5 Å²	41.5	19%	0.188	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-88	-16.1	-176.3	-58.8	-37.7	0	0	0	113.1	P435 T436 H437 K665 K666	P435-Y668 HydrophobicContact CB-CE2 3.89Å; T436-Y668 WeakPolarHBondContact O-CD2 3.48Å; H437-Y668 AromaticContact CE1-CD1 3.82Å; H437-Y668 AromaticContact ND1-CD1 3.75Å; H437-Y668 AromaticContact ND1-CG 3.77Å; K665-Y668 HydrophobicContact CB-CD2 3.78Å; K665-Y668 HydrophobicContact CB-CE2 3.89Å; K665-Y668 HydrophobicContact CB-CG 4.34Å; K665-Y668 HydrophobicContact CD-CE2 4.15Å; K665-Y668 HydrophobicContact CG-CD2 4.41Å; K665-Y668 HydrophobicContact CG-CE2 4.05Å; K665-Y668 PolarHBondContact O-N 3.48Å; K666-Y668 PolarHBondContact O-N 3.22Å
669	L	67.3	Low	81.4	Confident	31 Å²	31	41.4 Å²	41.4	16%	0.162	24%	0.236	C	C	.	.	S	Bend	trans	-69.7	133.4	177.9	-56.5	172.3	0	0	0	109.5	L630 I634 L664 K666 V672	L630-L669 HydrophobicContact CD2-CD1 3.78Å; L630-L669 HydrophobicContact CD2-CD2 3.94Å; L630-L669 HydrophobicContact CD2-CG 4.43Å; L630-L669 HydrophobicContact CG-CD1 4.41Å; I634-L669 HydrophobicContact CD1-CD1 4.17Å; L664-L669 HydrophobicContact CD1-CD2 4.15Å; K666-L669 PolarHBondContact O-N 3.48Å; L669-V672 HydrophobicContact CB-CB 3.98Å; L669-V672 HydrophobicContact CB-CG2 3.81Å; L669-V672 HydrophobicContact CD1-CG2 4.13Å; L669-V672 PolarHBondContact O-N 3.46Å
670	E	58.5	Low	82	Confident	194 Å²	194	36.2 Å²	36.2	91%	0.907	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	134.3	170.7	-68.3	-176.3	171.8	0	0	109.2	V672	E670-V672 VanDerWaalsContact C-N 3.29Å; E670-V672 PolarHBondContact O-N 3.19Å
671	G	56.9	Low	82.4	Confident	87 Å²	87	35.6 Å²	35.6	90%	0.897	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.6	-8.3	-176.2	0	0	0	0	0	115.8
672	V	55.1	Low	82.6	Confident	58 Å²	58	35.4 Å²	35.4	35%	0.352	21%	0.207	S	C	.	.			trans	-105.7	124.8	175.3	-173.8	0	0	0	0	110.3	K666 L669 E670 K764	K666-V672 HydrophobicContact CB-CG1 4.3Å; L669-V672 HydrophobicContact CB-CB 3.98Å; L669-V672 HydrophobicContact CB-CG2 3.81Å; L669-V672 HydrophobicContact CD1-CG2 4.13Å; L669-V672 PolarHBondContact O-N 3.46Å; E670-V672 VanDerWaalsContact C-N 3.29Å; E670-V672 PolarHBondContact O-N 3.19Å; V672-K764 VanDerWaalsContact O-CE 3.25Å; V672-K764 WeakPolarHBondContact O-CE 3.25Å; V672-K764 PolarHBondContact O-NZ 3.01Å
673	G	62.4	Low	82.7	Confident	32 Å²	32	35 Å²	35	33%	0.33	21%	0.205	S	C	.	.	S	Bend	trans	104.8	121.5	-176.7	0	0	0	0	0	112.2
674	D	73	Confident	82.7	Confident	69 Å²	69	33.6 Å²	33.6	37%	0.369	20%	0.199	S	C	.	.			trans	-68	139.3	179.5	-55.6	-59.3	0	0	0	111	A765 L815	D674-A765 PolarHBondContact O-N 3.01Å; D674-L815 HydrophobicContact CB-CD1 3.75Å; D674-L815 HydrophobicContact CB-CD2 4Å; D674-L815 HydrophobicContact CB-CG 4.38Å; D674-L815 WeakPolarHBondContact OD1-CD2 3.47Å
675	T	89.5	Confident	82.7	Confident	63 Å²	63	39.5 Å²	39.5	39%	0.387	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	138.7	163.2	61	0	0	0	0	109.2	E762 V763 K764	T675-E762 WeakPolarHBondContact CB-OE1 3.2Å; T675-E762 HydrophobicContact CG2-CG 4.3Å; T675-E762 WeakPolarHBondContact CG2-OE1 3.47Å; T675-E762 PolarHBondContact OG1-OE1 3.14Å; T675-V763 WeakPolarHBondContact CA-O 3.44Å; T675-K764 HydrophobicContact CG2-CB 4.13Å; T675-K764 HydrophobicContact CG2-CG 4.21Å
676	L	95.5	Very high	82.4	Confident	0 Å²	0	39 Å²	39	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	137.1	176	-62.4	92.6	0	0	0	108.6	L678 I712 V763 A765 L789 T807 V812 L815	L676-L678 HydrophobicContact CB-CD1 4.24Å; L676-L678 HydrophobicContact CB-CD2 4Å; L676-L678 HydrophobicContact CB-CG 3.86Å; L676-L678 HydrophobicContact CD2-CD2 4.44Å; L676-I712 HydrophobicContact CD2-CD1 4.07Å; L676-V763 PolarHBondContact N-O 3.01Å; L676-V763 PolarHBondContact O-N 3.31Å; L676-A765 HydrophobicContact CD1-CB 4.39Å; L676-L789 HydrophobicContact CD1-CD1 4.15Å; L676-L789 HydrophobicContact CD1-CD2 3.8Å; L676-L789 HydrophobicContact CD2-CD2 4.03Å; L676-T807 HydrophobicContact CD2-CG2 4.15Å; L676-T807 HydrophobicContact CG-CG2 4.49Å; L676-V812 HydrophobicContact CD2-CG2 3.87Å; L676-L815 HydrophobicContact CD1-CD1 4.4Å; L676-L815 HydrophobicContact CD2-CD1 4.13Å; L676-L815 HydrophobicContact CG-CD1 4.02Å
677	D	97.9	Very high	82.2	Confident	13 Å²	13	43.4 Å²	43.4	7%	0.07	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	110.2	172.4	-66.1	-41.3	0	0	0	107.8	V760 W761 R798 K801 A806 T807	D677-V760 HydrophobicContact CB-CG1 3.75Å; D677-W761 WeakPolarHBondContact CA-O 3.33Å; D677-R798 WeakPolarHBondContact OD1-CG 3.43Å; D677-R798 IonicContact OD1-CZ 3.95Å; D677-R798 IonicContact OD1-NH1 2.61Å; D677-R798 PolarHBondContact OD1-NH1 2.97Å; D677-R798 IonicContact OD2-CZ 2.7Å; D677-R798 IonicContact OD2-NH1 2.82Å; D677-R798 PolarHBondContact OD2-NH1 3.24Å; D677-R798 IonicContact OD2-NH2 2.84Å; D677-K801 HydrophobicContact CB-CD 4Å; D677-K801 WeakPolarHBondContact OD2-CD 3.25Å; D677-K801 WeakPolarHBondContact OD2-CE 3.15Å; D677-K801 IonicContact OD2-NZ 2.59Å; D677-K801 PolarHBondContact OD2-NZ 2.96Å; D677-A806 CarbonylContact O-C 3.55Å; D677-A806 WeakPolarHBondContact O-CA 3.45Å; D677-A806 WeakPolarHBondContact O-CB 3.35Å; D677-T807 PolarHBondContact N-OG1 3.11Å; D677-T807 PolarHBondContact O-N 3.1Å; D677-T807 PolarHBondContact O-OG1 3.25Å
678	L	98.5	Very high	82.3	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	143.3	-168.7	-62.9	-180	0	0	0	111.8	L676 L699 C701 I712 V760 W761 V763 L789	L676-L678 HydrophobicContact CB-CD1 4.24Å; L676-L678 HydrophobicContact CB-CD2 4Å; L676-L678 HydrophobicContact CB-CG 3.86Å; L676-L678 HydrophobicContact CD2-CD2 4.44Å; L678-L699 HydrophobicContact CB-CB 4.08Å; L678-L699 HydrophobicContact CB-CD2 3.83Å; L678-L699 HydrophobicContact CB-CG 4.48Å; L678-L699 HydrophobicContact CD1-CB 4.34Å; L678-L699 HydrophobicContact CD1-CD2 4.4Å; L678-C701 HydrophobicContact CD2-CB 4.08Å; L678-I712 HydrophobicContact CD1-CG2 3.47Å; L678-I712 VanDerWaalsContact CD1-CG2 3.47Å; L678-I712 HydrophobicContact CD2-CG2 3.82Å; L678-I712 HydrophobicContact CG-CG2 4.25Å; L678-V760 CarbonylContact O-C 3.48Å; L678-V760 WeakPolarHBondContact O-CA 3.16Å; L678-W761 PolarHBondContact N-O 2.93Å; L678-W761 PolarHBondContact O-N 2.98Å; L678-V763 HydrophobicContact CD1-CB 4.16Å; L678-V763 HydrophobicContact CD1-CG2 4.17Å; L678-L789 HydrophobicContact CD1-CD1 3.67Å
679	V	98.5	Very high	82.3	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	132	-178.8	-171.6	0	0	0	0	110.4	I681 L699 A700 Y709 P757 V760 P803 A806	V679-I681 HydrophobicContact CB-CG2 4.44Å; V679-I681 HydrophobicContact CG1-CG2 4.07Å; V679-L699 CarbonylContact O-C 3.57Å; V679-L699 WeakPolarHBondContact O-CA 3.29Å; V679-A700 PolarHBondContact N-O 2.82Å; V679-A700 PolarHBondContact O-N 2.89Å; V679-Y709 HydrophobicContact CB-CD1 4.13Å; V679-Y709 HydrophobicContact CB-CE1 4.23Å; V679-Y709 HydrophobicContact CG1-CD1 4.46Å; V679-Y709 HydrophobicContact CG1-CE1 4.34Å; V679-Y709 HydrophobicContact CG2-CD1 3.9Å; V679-Y709 HydrophobicContact CG2-CE1 3.66Å; V679-P757 HydrophobicContact CG1-CB 3.61Å; V679-V760 HydrophobicContact CG2-CG2 4.36Å; V679-P803 HydrophobicContact CG1-CB 4.15Å; V679-P803 HydrophobicContact CG2-CB 4.09Å; V679-P803 VanDerWaalsContact CG2-O 3.27Å; V679-P803 WeakPolarHBondContact CG2-O 3.39Å; V679-A806 HydrophobicContact CG2-CB 3.54Å
680	V	98.4	Very high	82.5	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	122.4	172.5	-174.6	0	0	0	0	109.6	Y697 L699 F731 F755 Q759 W761	V680-Y697 HydrophobicContact CG1-CD1 3.82Å; V680-Y697 HydrophobicContact CG1-CG 4.38Å; V680-L699 HydrophobicContact CG2-CD1 4.43Å; V680-L699 HydrophobicContact CG2-CD2 4.38Å; V680-L699 HydrophobicContact CG2-CG 4.1Å; V680-F731 HydrophobicContact CB-CE1 3.79Å; V680-F731 HydrophobicContact CB-CE2 4.18Å; V680-F731 HydrophobicContact CB-CZ 3.41Å; V680-F731 VanDerWaalsContact CB-CZ 3.41Å; V680-F731 HydrophobicContact CG1-CD1 4.37Å; V680-F731 HydrophobicContact CG1-CD2 4.44Å; V680-F731 HydrophobicContact CG1-CE1 3.75Å; V680-F731 HydrophobicContact CG1-CE2 3.84Å; V680-F731 HydrophobicContact CG1-CZ 3.47Å; V680-F731 VanDerWaalsContact CG1-CZ 3.47Å; V680-F731 HydrophobicContact CG2-CE2 4.29Å; V680-F731 HydrophobicContact CG2-CZ 3.78Å; V680-F755 HydrophobicContact CG1-CD2 4.05Å; V680-F755 HydrophobicContact CG1-CE2 4.5Å; V680-Q759 PolarHBondContact N-O 2.82Å; V680-Q759 VanDerWaalsContact N-O 3.17Å; V680-W761 HydrophobicContact CG2-CD2 3.48Å; V680-W761 VanDerWaalsContact CG2-CD2 3.48Å; V680-W761 HydrophobicContact CG2-CE3 3.92Å; V680-W761 HydrophobicContact CG2-CG 3.79Å; V680-W761 HydrophobicContact CG2-CH2 4.42Å; V680-W761 HydrophobicContact CG2-CZ2 4.05Å; V680-W761 HydrophobicContact CG2-CZ3 4.36Å
681	I	98.3	Very high	83.4	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	-4.9	-175.6	62	163.9	0	0	0	114.1	V679 L698 A700 T711 Y743 W754 F755	V679-I681 HydrophobicContact CB-CG2 4.44Å; V679-I681 HydrophobicContact CG1-CG2 4.07Å; I681-L698 HydrophobicContact CD1-CD2 4.28Å; I681-L698 HydrophobicContact CD1-CG 4.4Å; I681-L698 HydrophobicContact CG1-CB 4.47Å; I681-L698 HydrophobicContact CG1-CD2 4.3Å; I681-L698 HydrophobicContact CG1-CG 4.15Å; I681-L698 WeakPolarHBondContact CG1-O 3.46Å; I681-L698 PolarHBondContact N-O 2.91Å; I681-A700 HydrophobicContact CD1-CB 3.75Å; I681-A700 HydrophobicContact CG1-CB 4.21Å; I681-A700 HydrophobicContact CG2-CB 4.26Å; I681-T711 HydrophobicContact CD1-CG2 3.87Å; I681-Y743 HydrophobicContact CB-CD2 4.37Å; I681-Y743 HydrophobicContact CB-CE1 4.42Å; I681-Y743 HydrophobicContact CB-CE2 3.84Å; I681-Y743 HydrophobicContact CD1-CD2 4.37Å; I681-Y743 HydrophobicContact CD1-CG 4.43Å; I681-Y743 HydrophobicContact CG2-CE1 3.92Å; I681-Y743 HydrophobicContact CG2-CE2 4.23Å; I681-W754 HydrophobicContact CD1-CZ3 4.42Å; I681-F755 PolarHBondContact O-N 3.23Å
682	G	97.9	Very high	84.6	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.6	165.8	175.9	0	0	0	0	0	114.4	Y697 L698 Q753 F755	G682-Y697 CarbonylContact O-C 3.55Å; G682-Y697 VanDerWaalsContact O-CA 3.31Å; G682-Y697 WeakPolarHBondContact O-CA 3.45Å; G682-L698 PolarHBondContact N-O 2.99Å; G682-L698 PolarHBondContact O-N 3.28Å; G682-Q753 CarbonylContact C-O 3.39Å; G682-Q753 VanDerWaalsContact CA-O 3.23Å; G682-Q753 WeakPolarHBondContact CA-O 3.31Å; G682-F755 VanDerWaalsContact C-CD2 3.42Å; G682-F755 VanDerWaalsContact CA-CD2 3.43Å; G682-F755 WeakPolarHBondContact O-CE2 3.44Å
683	G	96.7	Very high	86.2	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	144.3	-176	0	0	0	0	0	112.9	P751 D752 Q753 F755	G683-P751 WeakPolarHBondContact O-CB 3.49Å; G683-D752 PolarHBondContact O-N 3.22Å; G683-Q753 PolarHBondContact N-O 3.08Å; G683-Q753 PolarHBondContact O-N 2.71Å; G683-Q753 VanDerWaalsContact O-N 3.07Å; G683-F755 VanDerWaalsContact CA-CE2 3.49Å
684	F	94.9	Very high	87.6	Confident	21 Å²	21	47.1 Å²	47.1	9%	0.092	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	130.5	176.1	-59.9	-91	0	0	0	109.4	G686 Y694 G695 G696 L698 K714 P751 D752	F684-G686 PolarHBondContact O-N 3.19Å; F684-Y694 CarbonylContact O-C 3.53Å; F684-Y694 VanDerWaalsContact O-CA 3.26Å; F684-Y694 WeakPolarHBondContact O-CA 3.4Å; F684-G695 PolarHBondContact O-N 3.21Å; F684-G696 PolarHBondContact N-O 3.36Å; F684-G696 PolarHBondContact O-N 2.92Å; F684-L698 HydrophobicContact CE2-CB 3.94Å; F684-L698 HydrophobicContact CZ-CB 4.45Å; F684-K714 VanDerWaalsContact CD1-NZ 3.26Å; F684-K714 HydrophobicContact CD2-CD 3.76Å; F684-K714 HydrophobicContact CD2-CG 4Å; F684-K714 HydrophobicContact CE1-CD 4.33Å; F684-K714 HydrophobicContact CE2-CB 4.37Å; F684-K714 HydrophobicContact CE2-CD 3.47Å; F684-K714 VanDerWaalsContact CE2-CD 3.47Å; F684-K714 HydrophobicContact CE2-CG 3.66Å; F684-K714 HydrophobicContact CG-CD 4.32Å; F684-K714 HydrophobicContact CZ-CD 3.79Å; F684-K714 HydrophobicContact CZ-CG 4.37Å; F684-P751 HydrophobicContact CE1-CB 4.22Å; F684-P751 HydrophobicContact CE2-CB 4.33Å; F684-P751 HydrophobicContact CZ-CB 4.1Å; F684-D752 VanDerWaalsContact CA-OD2 3.26Å; F684-D752 WeakPolarHBondContact CA-OD2 3.49Å
685	Y	91.5	Very high	88.2	Confident	124 Å²	124	44.6 Å²	44.6	49%	0.486	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	132	178	-66.3	-53.2	0	0	0	110.7	Y694 D752	Y685-Y694 AromaticContact CD1-CD1 3.94Å; Y685-Y694 HydrophobicContact CD1-CD1 3.94Å; Y685-Y694 AromaticContact CD1-CE1 3.94Å; Y685-Y694 HydrophobicContact CD1-CE1 3.94Å; Y685-Y694 HydrophobicContact CE1-CD1 4.03Å; Y685-Y694 AromaticContact CE1-CE1 3.54Å; Y685-Y694 HydrophobicContact CE1-CE1 3.54Å; Y685-D752 HydrophobicContact CD2-CB 3.4Å; Y685-D752 HydrophobicContact CE2-CB 3.55Å; Y685-D752 HydrophobicContact CG-CB 4.12Å; Y685-D752 PolarHBondContact N-OD2 3.48Å
686	G	82	Confident	88.4	Confident	14 Å²	14	41.8 Å²	41.8	14%	0.144	25%	0.245	C	C	.	.			trans	-70.2	154.4	176.7	0	0	0	0	0	111.6	F684 R690 A691 R693	F684-G686 PolarHBondContact O-N 3.19Å; G686-R690 CarbonylContact C-O 3.55Å; G686-R690 VanDerWaalsContact CA-O 3.28Å; G686-R690 WeakPolarHBondContact CA-O 3.06Å; G686-A691 WeakPolarHBondContact O-CA 3.43Å; G686-R693 PolarHBondContact N-O 2.89Å
687	T	74.9	Confident	88.4	Confident	123 Å²	123	41.8 Å²	41.8	76%	0.755	25%	0.245	S	C	*	.			trans	-114.8	157.5	173.5	57.4	0	0	0	0	110	K689 R690	T687-K689 PolarHBondContact O-N 3.01Å; T687-R690 PolarHBondContact O-N 3.43Å
688	G	72.7	Confident	88.5	Confident	65 Å²	65	41.2 Å²	41.2	67%	0.67	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	65.9	-128.2	177.9	0	0	0	0	0	112.3	R690 A691	G688-R690 PolarHBondContact O-N 3Å; G688-R690 VanDerWaalsContact O-N 3.09Å; G688-A691 VanDerWaalsContact O-CB 3.24Å; G688-A691 WeakPolarHBondContact O-CB 3.29Å; G688-A691 PolarHBondContact O-N 3.04Å
689	K	67.3	Low	88.5	Confident	205 Å²	205	41.2 Å²	41.2	89%	0.891	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-57.4	-24.2	179.1	-66.3	-175.6	179.2	-179.4	0	113.7	T687	T687-K689 PolarHBondContact O-N 3.01Å
690	R	72.2	Confident	88.4	Confident	78 Å²	78	41.2 Å²	41.2	29%	0.294	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-97.3	13.1	178.7	-60.4	-178.9	178.5	177.5	-1.1	113.1	G686 T687 G688 R693 G695 G716	G686-R690 CarbonylContact C-O 3.55Å; G686-R690 VanDerWaalsContact CA-O 3.28Å; G686-R690 WeakPolarHBondContact CA-O 3.06Å; T687-R690 PolarHBondContact O-N 3.43Å; G688-R690 PolarHBondContact O-N 3Å; G688-R690 VanDerWaalsContact O-N 3.09Å; R690-R693 HydrophobicContact CB-CG 4.28Å; R690-R693 WeakPolarHBondContact O-CG 3.46Å; R690-R693 PolarHBondContact O-N 3.22Å; R690-G695 PolarHBondContact NH1-O 3.37Å; R690-G716 PolarHBondContact NH1-O 3.49Å
691	A	78	Confident	88.4	Confident	64 Å²	64	41.2 Å²	41.2	53%	0.529	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	142.3	175.7	0	0	0	0	0	111.4	G686 G688 R693	G686-A691 WeakPolarHBondContact O-CA 3.43Å; G688-A691 VanDerWaalsContact O-CB 3.24Å; G688-A691 WeakPolarHBondContact O-CB 3.29Å; G688-A691 PolarHBondContact O-N 3.04Å; A691-R693 VanDerWaalsContact C-N 3.34Å
692	G	81.2	Confident	88.4	Confident	67 Å²	67	42.7 Å²	42.7	69%	0.691	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.1	-1.8	-179.3	0	0	0	0	0	116
693	R	88.9	Confident	88.4	Confident	79 Å²	79	43.8 Å²	43.8	30%	0.298	25%	0.254	S	S	.	.	S	Bend	trans	-132.3	171.3	176.6	66.5	179.4	79.2	178.7	2.1	110.9	G686 R690 A691 G695 D721 S728	G686-R693 PolarHBondContact N-O 2.89Å; R690-R693 HydrophobicContact CB-CG 4.28Å; R690-R693 WeakPolarHBondContact O-CG 3.46Å; R690-R693 PolarHBondContact O-N 3.22Å; A691-R693 VanDerWaalsContact C-N 3.34Å; R693-G695 PolarHBondContact O-N 3.34Å; R693-D721 PolarHBondContact NH1-O 3.02Å; R693-S728 WeakPolarHBondContact CB-OG 3.16Å
694	Y	92.4	Very high	88.3	Confident	5 Å²	5	46.9 Å²	46.9	2%	0.02	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	118.1	172.6	-54.3	-59.6	0	0	0	109	F684 Y685 Y697 S728 F731 K732 Q753 F755	F684-Y694 CarbonylContact O-C 3.53Å; F684-Y694 VanDerWaalsContact O-CA 3.26Å; F684-Y694 WeakPolarHBondContact O-CA 3.4Å; Y685-Y694 AromaticContact CD1-CD1 3.94Å; Y685-Y694 HydrophobicContact CD1-CD1 3.94Å; Y685-Y694 AromaticContact CD1-CE1 3.94Å; Y685-Y694 HydrophobicContact CD1-CE1 3.94Å; Y685-Y694 HydrophobicContact CE1-CD1 4.03Å; Y685-Y694 AromaticContact CE1-CE1 3.54Å; Y685-Y694 HydrophobicContact CE1-CE1 3.54Å; Y694-Y697 HydrophobicContact CD2-CE1 4.15Å; Y694-Y697 HydrophobicContact CG-CE1 4.39Å; Y694-S728 PolarHBondContact N-OG 2.82Å; Y694-F731 HydrophobicContact CE2-CB 4.24Å; Y694-K732 HydrophobicContact CE2-CG 4.02Å; Y694-Q753 HydrophobicContact CE1-CB 3.82Å; Y694-Q753 HydrophobicContact CE1-CG 4.42Å; Y694-F755 HydrophobicContact CD1-CZ 4.24Å; Y694-F755 HydrophobicContact CD2-CE1 4.47Å; Y694-F755 HydrophobicContact CD2-CE2 4.47Å; Y694-F755 AromaticContact CD2-CZ 3.68Å; Y694-F755 HydrophobicContact CD2-CZ 3.68Å; Y694-F755 HydrophobicContact CE1-CE1 4.34Å; Y694-F755 AromaticContact CE1-CZ 3.97Å; Y694-F755 HydrophobicContact CE1-CZ 3.97Å; Y694-F755 AromaticContact CE2-CE1 3.76Å; Y694-F755 HydrophobicContact CE2-CE1 3.76Å; Y694-F755 AromaticContact CE2-CZ 3.4Å; Y694-F755 HydrophobicContact CE2-CZ 3.4Å; Y694-F755 VanDerWaalsContact CE2-CZ 3.4Å; Y694-F755 HydrophobicContact CG-CZ 4.12Å; Y694-F755 AromaticContact CZ-CE1 3.68Å; Y694-F755 AromaticContact CZ-CZ 3.56Å
695	G	85.7	Confident	88.3	Confident	16 Å²	16	53.2 Å²	53.2	17%	0.165	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	-10.4	-179.5	0	0	0	0	0	113.8	F684 R690 R693	F684-G695 PolarHBondContact O-N 3.21Å; R690-G695 PolarHBondContact NH1-O 3.37Å; R693-G695 PolarHBondContact O-N 3.34Å
696	G	92.1	Very high	88.4	Confident	4 Å²	4	50.7 Å²	50.7	4%	0.041	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	162.7	170.2	0	0	0	0	0	111.9	F684 I715	F684-G696 PolarHBondContact N-O 3.36Å; F684-G696 PolarHBondContact O-N 2.92Å; G696-I715 CarbonylContact C-O 3.59Å; G696-I715 WeakPolarHBondContact CA-O 3.39Å
697	Y	97.3	Very high	89.1	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	143.5	-171.1	-63.5	-92	0	0	0	110.5	V680 G682 Y694 L699 K714 I715 M719 L724 F727 S728 F731 F755 W761	V680-Y697 HydrophobicContact CG1-CD1 3.82Å; V680-Y697 HydrophobicContact CG1-CG 4.38Å; G682-Y697 CarbonylContact O-C 3.55Å; G682-Y697 VanDerWaalsContact O-CA 3.31Å; G682-Y697 WeakPolarHBondContact O-CA 3.45Å; Y694-Y697 HydrophobicContact CD2-CE1 4.15Å; Y694-Y697 HydrophobicContact CG-CE1 4.39Å; Y697-L699 WeakPolarHBondContact O-CD1 3.34Å; Y697-K714 CarbonylContact O-C 3.5Å; Y697-K714 VanDerWaalsContact O-CA 3.27Å; Y697-K714 WeakPolarHBondContact O-CA 3.36Å; Y697-I715 PolarHBondContact N-O 2.82Å; Y697-I715 PolarHBondContact O-N 3.16Å; Y697-M719 HydrophobicContact CD2-CE 4.13Å; Y697-M719 HydrophobicContact CD2-SD 4.15Å; Y697-M719 HydrophobicContact CE2-SD 4.03Å; Y697-L724 HydrophobicContact CE2-CD2 4.13Å; Y697-F727 VanDerWaalsContact OH-CB 3.29Å; Y697-F727 WeakPolarHBondContact OH-CB 3.29Å; Y697-S728 PolarHBondContact OH-N 3.31Å; Y697-S728 PolarHBondContact OH-OG 2.8Å; Y697-F731 HydrophobicContact CD1-CD2 4.27Å; Y697-F731 HydrophobicContact CD1-CE2 4.48Å; Y697-F731 AromaticContact CE1-CD2 3.71Å; Y697-F731 HydrophobicContact CE1-CD2 3.71Å; Y697-F731 HydrophobicContact CE1-CE2 4.24Å; Y697-F731 HydrophobicContact CE1-CG 4.47Å; Y697-F755 AromaticContact CD1-CE2 3.97Å; Y697-F755 HydrophobicContact CD1-CE2 3.97Å; Y697-F755 HydrophobicContact CE1-CE2 4.13Å; Y697-W761 HydrophobicContact CD1-CH2 4.18Å; Y697-W761 AromaticContact CD2-CH2 3.61Å; Y697-W761 HydrophobicContact CD2-CH2 3.61Å; Y697-W761 AromaticContact CD2-CZ3 3.93Å; Y697-W761 HydrophobicContact CD2-CZ3 3.93Å; Y697-W761 HydrophobicContact CE1-CH2 4.41Å; Y697-W761 AromaticContact CE2-CH2 3.87Å; Y697-W761 HydrophobicContact CE2-CH2 3.87Å; Y697-W761 AromaticContact CG-CH2 3.79Å; Y697-W761 HydrophobicContact CG-CH2 3.79Å; Y697-W761 HydrophobicContact CG-CZ3 4.06Å
698	L	98.1	Very high	90.2	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	123.9	172.6	-175.6	64.9	0	0	0	108.5	I681 G682 F684 T711 P751 W754	I681-L698 HydrophobicContact CD1-CD2 4.28Å; I681-L698 HydrophobicContact CD1-CG 4.4Å; I681-L698 HydrophobicContact CG1-CB 4.47Å; I681-L698 HydrophobicContact CG1-CD2 4.3Å; I681-L698 HydrophobicContact CG1-CG 4.15Å; I681-L698 WeakPolarHBondContact CG1-O 3.46Å; I681-L698 PolarHBondContact N-O 2.91Å; G682-L698 PolarHBondContact N-O 2.99Å; G682-L698 PolarHBondContact O-N 3.28Å; F684-L698 HydrophobicContact CE2-CB 3.94Å; F684-L698 HydrophobicContact CZ-CB 4.45Å; L698-T711 HydrophobicContact CD1-CG2 3.94Å; L698-T711 HydrophobicContact CD2-CG2 3.8Å; L698-T711 HydrophobicContact CG-CG2 3.94Å; L698-P751 HydrophobicContact CD2-CG 4.25Å; L698-W754 HydrophobicContact CD2-CH2 4.27Å; L698-W754 HydrophobicContact CD2-CZ3 4.03Å
699	L	98.4	Very high	91.4	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	152.5	-178	-74.3	75.8	0	0	0	111.4	L678 V679 V680 Y697 I712 C713 I715 W761 V763	L678-L699 HydrophobicContact CB-CB 4.08Å; L678-L699 HydrophobicContact CB-CD2 3.83Å; L678-L699 HydrophobicContact CB-CG 4.48Å; L678-L699 HydrophobicContact CD1-CB 4.34Å; L678-L699 HydrophobicContact CD1-CD2 4.4Å; V679-L699 CarbonylContact O-C 3.57Å; V679-L699 WeakPolarHBondContact O-CA 3.29Å; V680-L699 HydrophobicContact CG2-CD1 4.43Å; V680-L699 HydrophobicContact CG2-CD2 4.38Å; V680-L699 HydrophobicContact CG2-CG 4.1Å; Y697-L699 WeakPolarHBondContact O-CD1 3.34Å; L699-I712 PolarHBondContact O-N 3.36Å; L699-C713 PolarHBondContact N-O 2.91Å; L699-C713 PolarHBondContact O-N 3.45Å; L699-I715 HydrophobicContact CD1-CB 4.38Å; L699-I715 HydrophobicContact CD1-CG2 3.39Å; L699-I715 HydrophobicContact CD2-CG2 4.48Å; L699-W761 HydrophobicContact CD1-CE3 4.47Å; L699-W761 HydrophobicContact CD2-CB 4.2Å; L699-W761 HydrophobicContact CD2-CE3 4.08Å; L699-V763 HydrophobicContact CD2-CG2 3.68Å
700	A	98.4	Very high	92.9	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	148.5	-177.1	0	0	0	0	0	112.5	V679 I681 Q710	V679-A700 PolarHBondContact N-O 2.82Å; V679-A700 PolarHBondContact O-N 2.89Å; I681-A700 HydrophobicContact CD1-CB 3.75Å; I681-A700 HydrophobicContact CG1-CB 4.21Å; I681-A700 HydrophobicContact CG2-CB 4.26Å; A700-Q710 CarbonylContact C-O 3.5Å; A700-Q710 WeakPolarHBondContact CA-O 3.37Å; A700-Q710 VanDerWaalsContact CB-O 3.27Å; A700-Q710 WeakPolarHBondContact CB-O 3.19Å
701	C	98	Very high	94.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	165.3	163.1	66	0	0	0	0	109.5	L678 Y709 Q710 A776 T807 V812	L678-C701 HydrophobicContact CD2-CB 4.08Å; C701-Y709 CarbonylContact O-C 3.37Å; C701-Y709 WeakPolarHBondContact O-CA 3.48Å; C701-Q710 PolarHBondContact N-O 2.83Å; C701-Q710 PolarHBondContact O-N 2.88Å; C701-A776 WeakPolarHBondContact SG-CB 3.37Å; C701-T807 VanDerWaalsContact CB-O 3.23Å; C701-T807 WeakPolarHBondContact CB-O 3.29Å; C701-V812 HydrophobicContact CB-CG2 3.96Å
702	Y	98.3	Very high	95	Very high	32 Å²	32	34.3 Å²	34.3	13%	0.125	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	139.1	177.7	-176.9	-118.7	0	0	0	110.8	P704 Y709 E804 T807 T808 A809	Y702-P704 HydrophobicContact CD1-CB 4.48Å; Y702-P704 HydrophobicContact CE1-CB 4.03Å; Y702-Y709 AromaticContact CD2-CD1 3.91Å; Y702-Y709 HydrophobicContact CD2-CD1 3.91Å; Y702-Y709 AromaticContact CD2-CE1 3.54Å; Y702-Y709 HydrophobicContact CD2-CE1 3.54Å; Y702-Y709 AromaticContact CD2-CZ 3.93Å; Y702-Y709 HydrophobicContact CE2-CE1 4.33Å; Y702-Y709 HydrophobicContact CG-CE1 4.22Å; Y702-E804 VanDerWaalsContact CD1-O 3.27Å; Y702-E804 WeakPolarHBondContact CD1-O 3.34Å; Y702-E804 HydrophobicContact CE1-CB 4.23Å; Y702-T807 PolarHBondContact N-O 2.66Å; Y702-T807 VanDerWaalsContact N-O 3.1Å; Y702-T808 CarbonylContact O-C 3.51Å; Y702-T808 WeakPolarHBondContact O-CA 3.38Å; Y702-A809 PolarHBondContact O-N 3.37Å
703	D	97.3	Very high	95.7	Very high	23 Å²	23	31.2 Å²	31.2	12%	0.123	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	108	170.8	-169.8	-22.2	0	0	0	108.8	D705 T706 E707 E708 Q710 A809	D703-D705 VanDerWaalsContact C-N 3.26Å; D703-D705 PolarHBondContact O-N 2.66Å; D703-D705 PolarHBondContact OD1-N 3.17Å; D703-T706 WeakPolarHBondContact CB-OG1 3.31Å; D703-E707 WeakPolarHBondContact O-CA 3.13Å; D703-E707 PolarHBondContact O-N 3.07Å; D703-E708 PolarHBondContact N-O 2.84Å; D703-E708 PolarHBondContact O-N 2.81Å; D703-Q710 HydrophobicContact CB-CG 4.38Å; D703-Q710 PolarHBondContact OD2-NE2 2.85Å; D703-A809 HydrophobicContact CB-CB 4.17Å
704	P	95.2	Very high	95.9	Very high	65 Å²	65	32.2 Å²	32.2	42%	0.422	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-21.7	-178.1	29.5	-34.9	0	0	0	113.2	Y702 T808	Y702-P704 HydrophobicContact CD1-CB 4.48Å; Y702-P704 HydrophobicContact CE1-CB 4.03Å; P704-T808 HydrophobicContact CG-CG2 4.35Å
705	D	94.3	Very high	95.9	Very high	153 Å²	153	32.1 Å²	32.1	82%	0.818	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-35.5	-177.5	-67.1	-30	0	0	0	111.5	D703	D703-D705 VanDerWaalsContact C-N 3.26Å; D703-D705 PolarHBondContact O-N 2.66Å; D703-D705 PolarHBondContact OD1-N 3.17Å
706	T	94.3	Very high	95.8	Very high	72 Å²	72	32.2 Å²	32.2	44%	0.442	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-9.3	177.6	62.5	0	0	0	0	113.3	D703 E708	D703-T706 WeakPolarHBondContact CB-OG1 3.31Å; T706-E708 VanDerWaalsContact C-N 3.28Å; T706-E708 WeakPolarHBondContact O-CG 3.25Å; T706-E708 PolarHBondContact O-N 2.89Å; T706-E708 WeakPolarHBondContact OG1-CB 3.22Å; T706-E708 WeakPolarHBondContact OG1-CG 3.38Å
707	E	96.1	Very high	95.3	Very high	138 Å²	138	35.4 Å²	35.4	65%	0.645	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.9	39.1	-170.3	-56.9	-176.3	165.3	0	0	112.7	D703	D703-E707 WeakPolarHBondContact O-CA 3.13Å; D703-E707 PolarHBondContact O-N 3.07Å
708	E	97.4	Very high	94.6	Very high	45 Å²	45	37.3 Å²	37.3	21%	0.21	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	147.9	-174.4	-62.8	-176.3	143.1	0	0	112.9	D703 T706 Y742 Q744	D703-E708 PolarHBondContact N-O 2.84Å; D703-E708 PolarHBondContact O-N 2.81Å; T706-E708 VanDerWaalsContact C-N 3.28Å; T706-E708 WeakPolarHBondContact O-CG 3.25Å; T706-E708 PolarHBondContact O-N 2.89Å; T706-E708 WeakPolarHBondContact OG1-CB 3.22Å; T706-E708 WeakPolarHBondContact OG1-CG 3.38Å; E708-Y742 CarbonylContact C-O 3.56Å; E708-Y742 WeakPolarHBondContact CA-O 3.27Å; E708-Q744 HydrophobicContact CB-CG 4.09Å; E708-Q744 HydrophobicContact CG-CG 4.38Å; E708-Q744 PolarHBondContact OE1-NE2 3.17Å; E708-Q744 WeakPolarHBondContact OE2-CG 3.31Å; E708-Q744 PolarHBondContact OE2-NE2 2.98Å; E708-Q744 VanDerWaalsContact OE2-NE2 3.12Å
709	Y	98.3	Very high	94	Very high	8 Å²	8	38 Å²	38	3%	0.031	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	114.2	168.8	-63.4	-76.5	0	0	0	110.4	V679 C701 Y702 Y742 Y743 Q744 P757 P803 E804	V679-Y709 HydrophobicContact CB-CD1 4.13Å; V679-Y709 HydrophobicContact CB-CE1 4.23Å; V679-Y709 HydrophobicContact CG1-CD1 4.46Å; V679-Y709 HydrophobicContact CG1-CE1 4.34Å; V679-Y709 HydrophobicContact CG2-CD1 3.9Å; V679-Y709 HydrophobicContact CG2-CE1 3.66Å; C701-Y709 CarbonylContact O-C 3.37Å; C701-Y709 WeakPolarHBondContact O-CA 3.48Å; Y702-Y709 AromaticContact CD2-CD1 3.91Å; Y702-Y709 HydrophobicContact CD2-CD1 3.91Å; Y702-Y709 AromaticContact CD2-CE1 3.54Å; Y702-Y709 HydrophobicContact CD2-CE1 3.54Å; Y702-Y709 AromaticContact CD2-CZ 3.93Å; Y702-Y709 HydrophobicContact CE2-CE1 4.33Å; Y702-Y709 HydrophobicContact CG-CE1 4.22Å; Y709-Y742 AromaticContact CD2-CD2 3.74Å; Y709-Y742 HydrophobicContact CD2-CD2 3.74Å; Y709-Y742 AromaticContact CD2-CE2 3.96Å; Y709-Y742 HydrophobicContact CD2-CE2 3.96Å; Y709-Y742 AromaticContact CE2-CD2 3.98Å; Y709-Y742 HydrophobicContact CE2-CD2 3.98Å; Y709-Y742 AromaticContact CE2-CE2 3.89Å; Y709-Y742 HydrophobicContact CE2-CE2 3.89Å; Y709-Y742 PolarHBondContact N-O 2.85Å; Y709-Y743 AromaticContact CD2-CD1 3.86Å; Y709-Y743 HydrophobicContact CD2-CD1 3.86Å; Y709-Y743 AromaticContact CD2-CE1 3.54Å; Y709-Y743 HydrophobicContact CD2-CE1 3.54Å; Y709-Y743 HydrophobicContact CE2-CE1 4.33Å; Y709-Y743 HydrophobicContact CG-CD1 4.32Å; Y709-Y743 HydrophobicContact CG-CE1 4.14Å; Y709-Q744 PolarHBondContact O-N 2.89Å; Y709-P757 HydrophobicContact CD2-CB 4.38Å; Y709-P757 HydrophobicContact CE2-CB 3.87Å; Y709-P757 HydrophobicContact CE2-CG 3.86Å; Y709-P803 HydrophobicContact CE1-CB 4.25Å; Y709-P803 WeakPolarHBondContact CE1-O 3.18Å; Y709-P803 WeakPolarHBondContact OH-CB 3.4Å; Y709-E804 PolarHBondContact OH-OE1 3.45Å
710	Q	98.1	Very high	93.3	Very high	14 Å²	14	45.4 Å²	45.4	7%	0.065	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	119.1	-175.5	-58.4	175	-5.9	0	0	111	A700 C701 D703 I712 Q744 K775 A776	A700-Q710 CarbonylContact C-O 3.5Å; A700-Q710 WeakPolarHBondContact CA-O 3.37Å; A700-Q710 VanDerWaalsContact CB-O 3.27Å; A700-Q710 WeakPolarHBondContact CB-O 3.19Å; C701-Q710 PolarHBondContact N-O 2.83Å; C701-Q710 PolarHBondContact O-N 2.88Å; D703-Q710 HydrophobicContact CB-CG 4.38Å; D703-Q710 PolarHBondContact OD2-NE2 2.85Å; Q710-I712 PolarHBondContact O-N 3.08Å; Q710-Q744 HydrophobicContact CB-CB 4.46Å; Q710-Q744 HydrophobicContact CG-CB 4.12Å; Q710-Q744 HydrophobicContact CG-CG 4.45Å; Q710-K775 HydrophobicContact CB-CB 4.39Å; Q710-K775 PolarHBondContact OE1-O 2.82Å; Q710-A776 HydrophobicContact CB-CB 4.45Å
711	T	98.2	Very high	92.5	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	133.8	179.8	50.7	0	0	0	0	112.2	I681 L698 Q744 H774 K775 A776	I681-T711 HydrophobicContact CD1-CG2 3.87Å; L698-T711 HydrophobicContact CD1-CG2 3.94Å; L698-T711 HydrophobicContact CD2-CG2 3.8Å; L698-T711 HydrophobicContact CG-CG2 3.94Å; T711-Q744 WeakPolarHBondContact CG2-O 3.31Å; T711-Q744 PolarHBondContact N-O 2.7Å; T711-Q744 PolarHBondContact OG1-O 3.21Å; T711-Q744 VanDerWaalsContact OG1-O 3.08Å; T711-H774 VanDerWaalsContact O-CB 3.26Å; T711-H774 WeakPolarHBondContact O-CB 3.44Å; T711-H774 PolarHBondContact O-ND1 2.62Å; T711-K775 PolarHBondContact O-N 3.38Å; T711-K775 PolarHBondContact OG1-N 2.85Å; T711-A776 PolarHBondContact O-N 3.31Å
712	I	97.3	Very high	92	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	-30.5	-178.9	-162.5	174.5	0	0	0	113.6	L676 L678 L699 Q710 H774 A776 S788 L789 V812	L676-I712 HydrophobicContact CD2-CD1 4.07Å; L678-I712 HydrophobicContact CD1-CG2 3.47Å; L678-I712 VanDerWaalsContact CD1-CG2 3.47Å; L678-I712 HydrophobicContact CD2-CG2 3.82Å; L678-I712 HydrophobicContact CG-CG2 4.25Å; L699-I712 PolarHBondContact O-N 3.36Å; Q710-I712 PolarHBondContact O-N 3.08Å; I712-H774 VanDerWaalsContact C-CE1 3.48Å; I712-H774 VanDerWaalsContact C-ND1 3.32Å; I712-H774 PolarHBondContact N-ND1 3.43Å; I712-A776 HydrophobicContact CB-CB 3.7Å; I712-A776 HydrophobicContact CD1-CB 3.95Å; I712-A776 HydrophobicContact CG1-CB 3.63Å; I712-S788 WeakPolarHBondContact O-CA 3.26Å; I712-S788 WeakPolarHBondContact O-CB 3.27Å; I712-L789 HydrophobicContact CD1-CD2 3.95Å; I712-L789 HydrophobicContact CD1-CG 4.18Å; I712-L789 HydrophobicContact CG1-CD2 4.35Å; I712-L789 HydrophobicContact CG1-CG 4.15Å; I712-L789 PolarHBondContact O-N 2.78Å; I712-V812 HydrophobicContact CD1-CB 4.41Å; I712-V812 HydrophobicContact CD1-CG1 3.7Å; I712-V812 HydrophobicContact CD1-CG2 3.7Å
713	C	95.4	Very high	91.6	Very high	2 Å²	2	58.2 Å²	58.2	1%	0.014	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	160	178	75.4	0	0	0	0	113.3	L699 H774 L789 P792	L699-C713 PolarHBondContact N-O 2.91Å; L699-C713 PolarHBondContact O-N 3.45Å; C713-H774 VanDerWaalsContact CA-CE1 3.42Å; C713-H774 WeakPolarHBondContact CA-CE1 3.36Å; C713-H774 PolarHBondContact N-CE1 2.92Å; C713-H774 VanDerWaalsContact N-CE1 3.34Å; C713-L789 HydrophobicContact CB-CB 4.06Å; C713-L789 HydrophobicContact CB-CD1 4.27Å; C713-L789 HydrophobicContact CB-CG 4.22Å; C713-P792 HydrophobicContact CB-CB 4.42Å; C713-P792 HydrophobicContact CB-CG 4.17Å
714	K	94.4	Very high	91.1	Very high	100 Å²	100	57.1 Å²	57.1	44%	0.435	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	124.3	161.9	173.4	179.9	176.6	162.7	0	108	F684 Y697	F684-K714 VanDerWaalsContact CD1-NZ 3.26Å; F684-K714 HydrophobicContact CD2-CD 3.76Å; F684-K714 HydrophobicContact CD2-CG 4Å; F684-K714 HydrophobicContact CE1-CD 4.33Å; F684-K714 HydrophobicContact CE2-CB 4.37Å; F684-K714 HydrophobicContact CE2-CD 3.47Å; F684-K714 VanDerWaalsContact CE2-CD 3.47Å; F684-K714 HydrophobicContact CE2-CG 3.66Å; F684-K714 HydrophobicContact CG-CD 4.32Å; F684-K714 HydrophobicContact CZ-CD 3.79Å; F684-K714 HydrophobicContact CZ-CG 4.37Å; Y697-K714 CarbonylContact O-C 3.5Å; Y697-K714 VanDerWaalsContact O-CA 3.27Å; Y697-K714 WeakPolarHBondContact O-CA 3.36Å
715	I	90.5	Very high	90.9	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.01	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	142	-175.1	-160	171.9	0	0	0	111.9	G696 Y697 L699 M719 W761 V763 P792 F794	G696-I715 CarbonylContact C-O 3.59Å; G696-I715 WeakPolarHBondContact CA-O 3.39Å; Y697-I715 PolarHBondContact N-O 2.82Å; Y697-I715 PolarHBondContact O-N 3.16Å; L699-I715 HydrophobicContact CD1-CB 4.38Å; L699-I715 HydrophobicContact CD1-CG2 3.39Å; L699-I715 HydrophobicContact CD2-CG2 4.48Å; I715-M719 HydrophobicContact CG1-CE 4.41Å; I715-M719 HydrophobicContact CG2-CE 3.98Å; I715-W761 HydrophobicContact CG2-CE3 4.41Å; I715-W761 HydrophobicContact CG2-CZ3 4.06Å; I715-V763 HydrophobicContact CD1-CG1 3.97Å; I715-V763 HydrophobicContact CD1-CG2 4.33Å; I715-P792 HydrophobicContact CD1-CB 4.04Å; I715-P792 HydrophobicContact CG1-CB 4.23Å; I715-P792 HydrophobicContact CG1-CG 4.34Å; I715-F794 HydrophobicContact CD1-CB 4.22Å
716	G	84.6	Confident	90.8	Very high	19 Å²	19	51.3 Å²	51.3	20%	0.196	28%	0.283	C	S	.	.			trans	-145.3	15.9	173.6	0	0	0	0	0	112.9	R690	R690-G716 PolarHBondContact NH1-O 3.49Å
717	T	82.4	Confident	90.9	Very high	70 Å²	70	48.5 Å²	48.5	43%	0.429	26%	0.264	S	S	.	.			trans	-130.8	150.9	-167.5	37.7	0	0	0	0	110.1	M719 P792 F794	T717-M719 VanDerWaalsContact C-N 3.34Å; T717-P792 PolarHBondContact OG1-O 2.88Å; T717-F794 PolarHBondContact O-N 3.48Å; T717-F794 VanDerWaalsContact O-N 3.09Å
718	G	82.6	Confident	90.8	Very high	41 Å²	41	42 Å²	42	42%	0.423	24%	0.235	S	C	.	.	S	Bend	trans	89.9	-8	-176.8	0	0	0	0	0	114.5
719	M	84	Confident	90.6	Very high	15 Å²	15	46.4 Å²	46.4	7%	0.074	26%	0.255	C	S	.	.			trans	-101.7	135.1	178.7	-57.8	166.3	-109	0	0	110.7	Y697 I715 T717 E723 L724 F727 W761 F794	Y697-M719 HydrophobicContact CD2-CE 4.13Å; Y697-M719 HydrophobicContact CD2-SD 4.15Å; Y697-M719 HydrophobicContact CE2-SD 4.03Å; I715-M719 HydrophobicContact CG1-CE 4.41Å; I715-M719 HydrophobicContact CG2-CE 3.98Å; T717-M719 VanDerWaalsContact C-N 3.34Å; M719-E723 WeakPolarHBondContact CA-OE2 3.24Å; M719-E723 HydrophobicContact CB-CB 4.41Å; M719-L724 HydrophobicContact CB-CD2 4.01Å; M719-L724 HydrophobicContact CB-CG 3.82Å; M719-L724 HydrophobicContact CE-CD2 4.42Å; M719-L724 HydrophobicContact CG-CD2 4.47Å; M719-L724 HydrophobicContact SD-CD2 3.59Å; M719-L724 VanDerWaalsContact SD-CD2 3.59Å; M719-L724 HydrophobicContact SD-CG 4.4Å; M719-F727 HydrophobicContact CG-CD2 4.31Å; M719-F727 HydrophobicContact CG-CE2 3.86Å; M719-F727 HydrophobicContact SD-CD2 3.76Å; M719-F727 HydrophobicContact SD-CE2 3.88Å; M719-W761 HydrophobicContact CE-CH2 4.35Å; M719-W761 HydrophobicContact CE-CZ3 3.87Å; M719-W761 HydrophobicContact SD-CH2 3.71Å; M719-W761 HydrophobicContact SD-CZ3 3.77Å; M719-F794 HydrophobicContact CE-CB 4.36Å; M719-F794 HydrophobicContact CG-CB 3.73Å; M719-F794 HydrophobicContact CG-CD1 3.72Å; M719-F794 HydrophobicContact CG-CG 3.78Å
720	K	85	Confident	90.6	Very high	154 Å²	154	49.2 Å²	49.2	67%	0.67	27%	0.268	S	S	*	.			trans	-71.7	161.7	168.5	-62.8	177.8	-176.2	172.5	0	110.3	D722 E723 L724	K720-D722 VanDerWaalsContact C-N 3.26Å; K720-D722 PolarHBondContact O-N 2.61Å; K720-E723 HydrophobicContact CB-CG 4.25Å; K720-E723 PolarHBondContact N-OE2 3.4Å; K720-E723 PolarHBondContact O-N 3.24Å; K720-L724 PolarHBondContact O-N 2.97Å
721	D	80.7	Confident	90.5	Very high	104 Å²	104	48.6 Å²	48.6	56%	0.556	26%	0.264	S	S	*	.	H	α-helix	trans	-63.2	-32.2	-177.6	-81	-16.4	0	0	0	113	R693 A725	R693-D721 PolarHBondContact NH1-O 3.02Å; D721-A725 PolarHBondContact O-N 3.03Å
722	D	88.8	Confident	90.3	Very high	137 Å²	137	53.8 Å²	53.8	73%	0.733	29%	0.287	S	S	*	.	H	α-helix	trans	-71.4	-40.6	175.3	-62.4	-27.2	0	0	0	111.9	K720 A725 S726	K720-D722 VanDerWaalsContact C-N 3.26Å; K720-D722 PolarHBondContact O-N 2.61Å; D722-A725 WeakPolarHBondContact O-CB 3.34Å; D722-A725 PolarHBondContact O-N 3.43Å; D722-S726 PolarHBondContact O-N 2.94Å
723	E	89.9	Confident	90.2	Very high	60 Å²	60	60 Å²	60	28%	0.28	32%	0.32	S	S	.	.	H	α-helix	trans	-63.7	-41.4	174.1	-66.9	172.4	155.2	0	0	111	M719 K720 A725 S726 F727	M719-E723 WeakPolarHBondContact CA-OE2 3.24Å; M719-E723 HydrophobicContact CB-CB 4.41Å; K720-E723 HydrophobicContact CB-CG 4.25Å; K720-E723 PolarHBondContact N-OE2 3.4Å; K720-E723 PolarHBondContact O-N 3.24Å; E723-A725 VanDerWaalsContact C-N 3.26Å; E723-A725 PolarHBondContact O-N 3.09Å; E723-S726 WeakPolarHBondContact CA-OG 3.34Å; E723-S726 PolarHBondContact O-N 2.96Å; E723-S726 PolarHBondContact O-OG 3.35Å; E723-F727 HydrophobicContact CB-CD2 4.49Å; E723-F727 HydrophobicContact CB-CE1 4.48Å; E723-F727 HydrophobicContact CB-CE2 3.92Å; E723-F727 HydrophobicContact CB-CZ 3.91Å; E723-F727 HydrophobicContact CG-CZ 4.44Å; E723-F727 WeakPolarHBondContact O-CB 3.15Å; E723-F727 WeakPolarHBondContact O-CD1 3.29Å; E723-F727 VanDerWaalsContact O-CD2 3.28Å; E723-F727 WeakPolarHBondContact O-CD2 3.47Å; E723-F727 WeakPolarHBondContact O-CG 3.46Å; E723-F727 PolarHBondContact O-N 2.9Å
724	L	86.5	Confident	90.3	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-60.5	-37.2	175	-79.3	171	0	0	0	112.5	Y697 M719 K720 S728	Y697-L724 HydrophobicContact CE2-CD2 4.13Å; M719-L724 HydrophobicContact CB-CD2 4.01Å; M719-L724 HydrophobicContact CB-CG 3.82Å; M719-L724 HydrophobicContact CE-CD2 4.42Å; M719-L724 HydrophobicContact CG-CD2 4.47Å; M719-L724 HydrophobicContact SD-CD2 3.59Å; M719-L724 VanDerWaalsContact SD-CD2 3.59Å; M719-L724 HydrophobicContact SD-CG 4.4Å; K720-L724 PolarHBondContact O-N 2.97Å; L724-S728 VanDerWaalsContact O-CB 3.3Å; L724-S728 WeakPolarHBondContact O-CB 3.4Å; L724-S728 PolarHBondContact O-N 3.17Å; L724-S728 VanDerWaalsContact O-N 3.13Å; L724-S728 PolarHBondContact O-OG 3.3Å
725	A	89.7	Confident	90.4	Very high	39 Å²	39	60 Å²	60	32%	0.322	33%	0.329	S	S	.	.	H	α-helix	trans	-68.1	-48.5	176.2	0	0	0	0	0	111	D721 D722 E723 F727 S728 E729	D721-A725 PolarHBondContact O-N 3.03Å; D722-A725 WeakPolarHBondContact O-CB 3.34Å; D722-A725 PolarHBondContact O-N 3.43Å; E723-A725 VanDerWaalsContact C-N 3.26Å; E723-A725 PolarHBondContact O-N 3.09Å; A725-F727 PolarHBondContact O-N 3.5Å; A725-S728 PolarHBondContact O-N 3.25Å; A725-E729 PolarHBondContact O-N 2.84Å
726	S	93.5	Very high	90.6	Very high	58 Å²	58	60.7 Å²	60.7	41%	0.406	33%	0.334	S	S	.	.	H	α-helix	trans	-63.5	-43.1	-179.5	69	0	0	0	0	112.3	D722 E723 S728 E729 F730	D722-S726 PolarHBondContact O-N 2.94Å; E723-S726 WeakPolarHBondContact CA-OG 3.34Å; E723-S726 PolarHBondContact O-N 2.96Å; E723-S726 PolarHBondContact O-OG 3.35Å; S726-S728 VanDerWaalsContact C-N 3.3Å; S726-S728 PolarHBondContact O-N 2.75Å; S726-E729 PolarHBondContact O-N 2.86Å; S726-F730 WeakPolarHBondContact O-CB 3.25Å; S726-F730 PolarHBondContact O-N 3.25Å
727	F	95.6	Very high	90.9	Very high	12 Å²	12	67.9 Å²	67.9	5%	0.053	37%	0.368	C	S	.	.	H	α-helix	trans	-63.7	-38.4	175.6	-59.5	-16.6	0	0	0	111.4	Y697 M719 E723 A725 E729 F730 F731 W761 F794 I797	Y697-F727 VanDerWaalsContact OH-CB 3.29Å; Y697-F727 WeakPolarHBondContact OH-CB 3.29Å; M719-F727 HydrophobicContact CG-CD2 4.31Å; M719-F727 HydrophobicContact CG-CE2 3.86Å; M719-F727 HydrophobicContact SD-CD2 3.76Å; M719-F727 HydrophobicContact SD-CE2 3.88Å; E723-F727 HydrophobicContact CB-CD2 4.49Å; E723-F727 HydrophobicContact CB-CE1 4.48Å; E723-F727 HydrophobicContact CB-CE2 3.92Å; E723-F727 HydrophobicContact CB-CZ 3.91Å; E723-F727 HydrophobicContact CG-CZ 4.44Å; E723-F727 WeakPolarHBondContact O-CB 3.15Å; E723-F727 WeakPolarHBondContact O-CD1 3.29Å; E723-F727 VanDerWaalsContact O-CD2 3.28Å; E723-F727 WeakPolarHBondContact O-CD2 3.47Å; E723-F727 WeakPolarHBondContact O-CG 3.46Å; E723-F727 PolarHBondContact O-N 2.9Å; A725-F727 PolarHBondContact O-N 3.5Å; F727-E729 VanDerWaalsContact C-N 3.33Å; F727-E729 PolarHBondContact O-N 2.86Å; F727-F730 PolarHBondContact O-N 2.91Å; F727-F731 HydrophobicContact CB-CD2 4.4Å; F727-F731 VanDerWaalsContact O-CD2 3.25Å; F727-F731 WeakPolarHBondContact O-CD2 3.48Å; F727-F731 PolarHBondContact O-N 2.78Å; F727-W761 HydrophobicContact CB-CZ2 4.2Å; F727-W761 HydrophobicContact CD1-CZ2 4.29Å; F727-W761 AromaticContact CD2-CH2 3.46Å; F727-W761 HydrophobicContact CD2-CH2 3.46Å; F727-W761 VanDerWaalsContact CD2-CH2 3.46Å; F727-W761 AromaticContact CD2-CZ2 3.35Å; F727-W761 HydrophobicContact CD2-CZ2 3.35Å; F727-W761 AromaticContact CE2-CH2 3.89Å; F727-W761 HydrophobicContact CE2-CH2 3.89Å; F727-W761 AromaticContact CE2-CZ2 3.69Å; F727-W761 HydrophobicContact CE2-CZ2 3.69Å; F727-W761 HydrophobicContact CG-CH2 4.16Å; F727-W761 AromaticContact CG-CZ2 3.69Å; F727-W761 HydrophobicContact CG-CZ2 3.69Å; F727-W761 HydrophobicContact CZ-CZ2 4.33Å; F727-F794 HydrophobicContact CE2-CD1 4.49Å; F727-F794 HydrophobicContact CE2-CE1 4.06Å; F727-F794 HydrophobicContact CE2-CE2 4.17Å; F727-F794 AromaticContact CE2-CZ 3.88Å; F727-F794 HydrophobicContact CE2-CZ 3.88Å; F727-F794 AromaticContact CZ-CE1 3.9Å; F727-F794 HydrophobicContact CZ-CE1 3.9Å; F727-F794 HydrophobicContact CZ-CE2 4.11Å; F727-F794 AromaticContact CZ-CZ 3.52Å; F727-F794 HydrophobicContact CZ-CZ 3.52Å; F727-I797 HydrophobicContact CD1-CD1 4.26Å; F727-I797 HydrophobicContact CE1-CD1 3.43Å; F727-I797 VanDerWaalsContact CE1-CD1 3.43Å; F727-I797 HydrophobicContact CE1-CG1 4.15Å; F727-I797 HydrophobicContact CZ-CD1 4.03Å; F727-I797 HydrophobicContact CZ-CG1 4.3Å
728	S	93.6	Very high	91.5	Very high	3 Å²	3	72.3 Å²	72.3	2%	0.021	38%	0.381	C	S	.	.	H	α-helix	trans	-65.3	-37.8	178.1	-65.8	0	0	0	0	112.6	R693 Y694 Y697 L724 A725 S726 K732	R693-S728 WeakPolarHBondContact CB-OG 3.16Å; Y694-S728 PolarHBondContact N-OG 2.82Å; Y697-S728 PolarHBondContact OH-N 3.31Å; Y697-S728 PolarHBondContact OH-OG 2.8Å; L724-S728 VanDerWaalsContact O-CB 3.3Å; L724-S728 WeakPolarHBondContact O-CB 3.4Å; L724-S728 PolarHBondContact O-N 3.17Å; L724-S728 VanDerWaalsContact O-N 3.13Å; L724-S728 PolarHBondContact O-OG 3.3Å; A725-S728 PolarHBondContact O-N 3.25Å; S726-S728 VanDerWaalsContact C-N 3.3Å; S726-S728 PolarHBondContact O-N 2.75Å; S728-K732 WeakPolarHBondContact O-CB 3.32Å; S728-K732 WeakPolarHBondContact O-CD 3.5Å; S728-K732 WeakPolarHBondContact O-CG 3.28Å; S728-K732 PolarHBondContact O-N 2.86Å
729	E	94.7	Very high	92.1	Very high	136 Å²	136	71.2 Å²	71.2	64%	0.636	37%	0.367	S	S	*	.	H	α-helix	trans	-70.9	-43.9	175.5	-172.8	161.9	-155.7	0	0	111.7	A725 S726 F727 K732 N733	A725-E729 PolarHBondContact O-N 2.84Å; S726-E729 PolarHBondContact O-N 2.86Å; F727-E729 VanDerWaalsContact C-N 3.33Å; F727-E729 PolarHBondContact O-N 2.86Å; E729-K732 PolarHBondContact O-N 3.33Å; E729-N733 PolarHBondContact O-ND2 2.69Å
730	F	96.7	Very high	92.6	Very high	68 Å²	68	72.9 Å²	72.9	30%	0.298	37%	0.374	S	S	.	.	H	α-helix	trans	-57.2	-56.4	176	178.6	-98.9	0	0	0	112	S726 F727 K732 N733 H734 V758 Q759	S726-F730 WeakPolarHBondContact O-CB 3.25Å; S726-F730 PolarHBondContact O-N 3.25Å; F727-F730 PolarHBondContact O-N 2.91Å; F730-K732 VanDerWaalsContact C-N 3.29Å; F730-K732 PolarHBondContact O-N 3.15Å; F730-N733 WeakPolarHBondContact O-CB 3.49Å; F730-N733 PolarHBondContact O-N 3.41Å; F730-H734 AromaticContact CE1-CD2 3.81Å; F730-H734 AromaticContact CE2-CD2 3.95Å; F730-H734 AromaticContact CE2-NE2 3.63Å; F730-H734 AromaticContact CZ-CD2 3.68Å; F730-H734 AromaticContact CZ-NE2 3.6Å; F730-H734 PolarHBondContact O-CD2 2.89Å; F730-H734 VanDerWaalsContact O-CD2 3.31Å; F730-V758 HydrophobicContact CE1-CG2 3.79Å; F730-V758 HydrophobicContact CZ-CG2 3.98Å; F730-Q759 HydrophobicContact CE1-CB 4.05Å
731	F	97	Very high	93.1	Very high	0 Å²	0	71.2 Å²	71.2	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-71.9	-19.3	-176	-76	-68.6	0	0	0	114.2	V680 Y694 Y697 F727 N733 H734 A735 F755 V758 Q759 W761	V680-F731 HydrophobicContact CB-CE1 3.79Å; V680-F731 HydrophobicContact CB-CE2 4.18Å; V680-F731 HydrophobicContact CB-CZ 3.41Å; V680-F731 VanDerWaalsContact CB-CZ 3.41Å; V680-F731 HydrophobicContact CG1-CD1 4.37Å; V680-F731 HydrophobicContact CG1-CD2 4.44Å; V680-F731 HydrophobicContact CG1-CE1 3.75Å; V680-F731 HydrophobicContact CG1-CE2 3.84Å; V680-F731 HydrophobicContact CG1-CZ 3.47Å; V680-F731 VanDerWaalsContact CG1-CZ 3.47Å; V680-F731 HydrophobicContact CG2-CE2 4.29Å; V680-F731 HydrophobicContact CG2-CZ 3.78Å; Y694-F731 HydrophobicContact CE2-CB 4.24Å; Y697-F731 HydrophobicContact CD1-CD2 4.27Å; Y697-F731 HydrophobicContact CD1-CE2 4.48Å; Y697-F731 AromaticContact CE1-CD2 3.71Å; Y697-F731 HydrophobicContact CE1-CD2 3.71Å; Y697-F731 HydrophobicContact CE1-CE2 4.24Å; Y697-F731 HydrophobicContact CE1-CG 4.47Å; F727-F731 HydrophobicContact CB-CD2 4.4Å; F727-F731 VanDerWaalsContact O-CD2 3.25Å; F727-F731 WeakPolarHBondContact O-CD2 3.48Å; F727-F731 PolarHBondContact O-N 2.78Å; F731-N733 PolarHBondContact O-N 3.44Å; F731-H734 CarbonylContact O-C 3.45Å; F731-H734 PolarHBondContact O-N 3.09Å; F731-H734 VanDerWaalsContact O-N 3.13Å; F731-A735 PolarHBondContact O-N 2.98Å; F731-A735 VanDerWaalsContact O-N 3.15Å; F731-F755 HydrophobicContact CB-CD1 3.88Å; F731-F755 HydrophobicContact CB-CD2 3.88Å; F731-F755 HydrophobicContact CB-CE1 3.72Å; F731-F755 HydrophobicContact CB-CE2 3.68Å; F731-F755 HydrophobicContact CB-CG 4Å; F731-F755 HydrophobicContact CB-CZ 3.63Å; F731-F755 HydrophobicContact CD1-CB 3.92Å; F731-F755 HydrophobicContact CD1-CD1 4.36Å; F731-F755 AromaticContact CD1-CD2 3.56Å; F731-F755 HydrophobicContact CD1-CD2 3.56Å; F731-F755 HydrophobicContact CD1-CE2 4.15Å; F731-F755 AromaticContact CD1-CG 3.7Å; F731-F755 HydrophobicContact CD1-CG 3.7Å; F731-F755 HydrophobicContact CD2-CE2 4.45Å; F731-F755 HydrophobicContact CE1-CD2 4.25Å; F731-F755 AromaticContact CG-CD2 3.76Å; F731-F755 HydrophobicContact CG-CD2 3.76Å; F731-F755 AromaticContact CG-CE2 3.85Å; F731-F755 HydrophobicContact CG-CE2 3.85Å; F731-F755 HydrophobicContact CG-CG 4.13Å; F731-F755 HydrophobicContact CG-CZ 4.32Å; F731-F755 WeakPolarHBondContact O-CD1 3.5Å; F731-V758 HydrophobicContact CE1-CG2 4.18Å; F731-Q759 HydrophobicContact CE1-CB 4.38Å; F731-Q759 HydrophobicContact CZ-CB 3.94Å; F731-W761 AromaticContact CE2-CZ2 3.86Å; F731-W761 HydrophobicContact CE2-CZ2 3.86Å
732	K	94.4	Very high	93.9	Very high	110 Å²	110	70.3 Å²	70.3	48%	0.478	37%	0.368	S	S	.	.	H	α-helix	trans	-59.3	-35.6	167.8	-84.9	170.9	-174.8	179.6	0	111.7	Y694 S728 E729 F730 H734 A735	Y694-K732 HydrophobicContact CE2-CG 4.02Å; S728-K732 WeakPolarHBondContact O-CB 3.32Å; S728-K732 WeakPolarHBondContact O-CD 3.5Å; S728-K732 WeakPolarHBondContact O-CG 3.28Å; S728-K732 PolarHBondContact O-N 2.86Å; E729-K732 PolarHBondContact O-N 3.33Å; F730-K732 VanDerWaalsContact C-N 3.29Å; F730-K732 PolarHBondContact O-N 3.15Å; K732-H734 PolarHBondContact O-N 3.03Å; K732-A735 WeakPolarHBondContact O-CB 3.43Å
733	N	95.5	Very high	94.3	Very high	130 Å²	130	64 Å²	64	70%	0.695	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-10.9	178	-61.7	-33.5	0	0	0	113.3	E729 F730 F731	E729-N733 PolarHBondContact O-ND2 2.69Å; F730-N733 WeakPolarHBondContact O-CB 3.49Å; F730-N733 PolarHBondContact O-N 3.41Å; F731-N733 PolarHBondContact O-N 3.44Å
734	H	96.5	Very high	94.7	Very high	59 Å²	59	64.1 Å²	64.1	27%	0.273	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.4	20.8	177.7	-64.1	-73	0	0	0	112.1	F730 F731 K732 F755 E756 V758	F730-H734 AromaticContact CE1-CD2 3.81Å; F730-H734 AromaticContact CE2-CD2 3.95Å; F730-H734 AromaticContact CE2-NE2 3.63Å; F730-H734 AromaticContact CZ-CD2 3.68Å; F730-H734 AromaticContact CZ-NE2 3.6Å; F730-H734 PolarHBondContact O-CD2 2.89Å; F730-H734 VanDerWaalsContact O-CD2 3.31Å; F731-H734 CarbonylContact O-C 3.45Å; F731-H734 PolarHBondContact O-N 3.09Å; F731-H734 VanDerWaalsContact O-N 3.13Å; K732-H734 PolarHBondContact O-N 3.03Å; H734-F755 CarbonylContact O-C 3.44Å; H734-F755 VanDerWaalsContact O-CA 3.25Å; H734-F755 WeakPolarHBondContact O-CA 3.39Å; H734-E756 HydrophobicContact CB-CB 4.39Å; H734-E756 PolarHBondContact O-N 3.02Å; H734-V758 HydrophobicContact CB-CG2 4Å
735	A	95.9	Very high	95.1	Very high	44 Å²	44	67.8 Å²	67.8	36%	0.364	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	140.3	-179.8	0	0	0	0	0	112.3	F731 K732 Q753 W754	F731-A735 PolarHBondContact O-N 2.98Å; F731-A735 VanDerWaalsContact O-N 3.15Å; K732-A735 WeakPolarHBondContact O-CB 3.43Å; A735-Q753 HydrophobicContact CB-CG 3.85Å; A735-W754 CarbonylContact C-O 2.97Å; A735-W754 WeakPolarHBondContact CA-O 3.33Å
736	T	95.2	Very high	95.2	Very high	16 Å²	16	67.5 Å²	67.5	10%	0.098	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	143.1	175.2	57.5	0	0	0	0	110.6	K738 Q753 W754 E756	T736-K738 PolarHBondContact O-N 2.81Å; T736-K738 PolarHBondContact OG1-O 3.04Å; T736-Q753 PolarHBondContact O-NE2 3.32Å; T736-W754 PolarHBondContact N-O 2.98Å; T736-W754 WeakPolarHBondContact OG1-CB 3.27Å; T736-W754 PolarHBondContact OG1-O 3.21Å; T736-E756 HydrophobicContact CG2-CG 3.73Å; T736-E756 WeakPolarHBondContact CG2-OE1 3.48Å
737	D	91.5	Very high	95	Very high	170 Å²	170	71.8 Å²	71.8	91%	0.909	36%	0.36	S	S	*	.	S	Bend	trans	-67.7	-24.9	-176.1	-66.1	-31.2	0	0	0	113.4
738	K	93.8	Very high	94.5	Very high	163 Å²	163	75.3 Å²	75.3	71%	0.709	39%	0.387	S	S	*	.	S	Bend	trans	-145.2	154.7	-176.1	63	-178	-179.3	-178.9	0	110.6	T736	T736-K738 PolarHBondContact O-N 2.81Å; T736-K738 PolarHBondContact OG1-O 3.04Å
739	A	94.9	Very high	94.2	Very high	17 Å²	17	76.6 Å²	76.6	14%	0.14	39%	0.393	C	S	.	.			trans	-52.8	141.4	171	0	0	0	0	0	110.8	Y743 Y745 W754	A739-Y743 HydrophobicContact CB-CD2 4.33Å; A739-Y745 HydrophobicContact CB-CD1 4.4Å; A739-Y745 HydrophobicContact CB-CE1 3.47Å; A739-Y745 VanDerWaalsContact CB-CE1 3.47Å; A739-W754 HydrophobicContact CB-CD2 3.79Å; A739-W754 HydrophobicContact CB-CE3 4.05Å; A739-W754 HydrophobicContact CB-CG 4.38Å; A739-W754 HydrophobicContact CB-CH2 3.99Å; A739-W754 HydrophobicContact CB-CZ2 3.7Å; A739-W754 HydrophobicContact CB-CZ3 4.15Å
740	K	96.2	Very high	94.2	Very high	50 Å²	50	74.2 Å²	74.2	22%	0.217	38%	0.384	C	S	.	.			trans	-66	149	171.3	-64.6	-69.3	177.3	154.3	0	110.3	Y742 Y743 E756	K740-Y742 HydrophobicContact CB-CD1 4.19Å; K740-Y742 HydrophobicContact CB-CD2 4Å; K740-Y742 HydrophobicContact CB-CE1 3.83Å; K740-Y742 HydrophobicContact CB-CE2 3.64Å; K740-Y742 HydrophobicContact CB-CG 4.27Å; K740-Y742 HydrophobicContact CD-CE1 4.24Å; K740-Y742 HydrophobicContact CG-CE1 4.29Å; K740-Y742 HydrophobicContact CG-CE2 4Å; K740-Y742 PolarHBondContact O-N 3.38Å; K740-Y743 HydrophobicContact CB-CD1 3.89Å; K740-Y743 HydrophobicContact CB-CD2 3.92Å; K740-Y743 HydrophobicContact CB-CE1 3.93Å; K740-Y743 HydrophobicContact CB-CE2 3.94Å; K740-Y743 HydrophobicContact CB-CG 3.89Å; K740-Y743 HydrophobicContact CG-CD2 4.31Å; K740-Y743 HydrophobicContact CG-CE1 4.16Å; K740-Y743 HydrophobicContact CG-CE2 3.84Å; K740-Y743 WeakPolarHBondContact O-CB 3.21Å; K740-Y743 PolarHBondContact O-N 3.23Å; K740-E756 WeakPolarHBondContact CE-OE1 3.34Å; K740-E756 WeakPolarHBondContact CE-OE2 3.43Å; K740-E756 IonicContact NZ-OE1 3.72Å; K740-E756 PolarHBondContact NZ-OE1 2.98Å; K740-E756 IonicContact NZ-OE2 2.73Å; K740-E756 PolarHBondContact NZ-OE2 3.4Å
741	P	95.2	Very high	94.1	Very high	119 Å²	119	71.3 Å²	71.3	77%	0.773	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-32.4	179.4	-25.3	35	0	0	0	113.4	Y743	P741-Y743 VanDerWaalsContact C-N 3.28Å; P741-Y743 PolarHBondContact O-N 3.35Å
742	Y	96.7	Very high	93.9	Very high	85 Å²	85	75.6 Å²	75.6	33%	0.333	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	19.4	179.5	50.4	-98.6	0	0	0	113.4	E708 Y709 K740 P757	E708-Y742 CarbonylContact C-O 3.56Å; E708-Y742 WeakPolarHBondContact CA-O 3.27Å; Y709-Y742 AromaticContact CD2-CD2 3.74Å; Y709-Y742 HydrophobicContact CD2-CD2 3.74Å; Y709-Y742 AromaticContact CD2-CE2 3.96Å; Y709-Y742 HydrophobicContact CD2-CE2 3.96Å; Y709-Y742 AromaticContact CE2-CD2 3.98Å; Y709-Y742 HydrophobicContact CE2-CD2 3.98Å; Y709-Y742 AromaticContact CE2-CE2 3.89Å; Y709-Y742 HydrophobicContact CE2-CE2 3.89Å; Y709-Y742 PolarHBondContact N-O 2.85Å; K740-Y742 HydrophobicContact CB-CD1 4.19Å; K740-Y742 HydrophobicContact CB-CD2 4Å; K740-Y742 HydrophobicContact CB-CE1 3.83Å; K740-Y742 HydrophobicContact CB-CE2 3.64Å; K740-Y742 HydrophobicContact CB-CG 4.27Å; K740-Y742 HydrophobicContact CD-CE1 4.24Å; K740-Y742 HydrophobicContact CG-CE1 4.29Å; K740-Y742 HydrophobicContact CG-CE2 4Å; K740-Y742 PolarHBondContact O-N 3.38Å; Y742-P757 HydrophobicContact CE2-CG 4.28Å
743	Y	97.9	Very high	94	Very high	6 Å²	6	72.1 Å²	72.1	2%	0.024	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	121.6	172.1	-70.7	-6	0	0	0	110.9	I681 Y709 A739 K740 P741 Y745 W754 F755 P757	I681-Y743 HydrophobicContact CB-CD2 4.37Å; I681-Y743 HydrophobicContact CB-CE1 4.42Å; I681-Y743 HydrophobicContact CB-CE2 3.84Å; I681-Y743 HydrophobicContact CD1-CD2 4.37Å; I681-Y743 HydrophobicContact CD1-CG 4.43Å; I681-Y743 HydrophobicContact CG2-CE1 3.92Å; I681-Y743 HydrophobicContact CG2-CE2 4.23Å; Y709-Y743 AromaticContact CD2-CD1 3.86Å; Y709-Y743 HydrophobicContact CD2-CD1 3.86Å; Y709-Y743 AromaticContact CD2-CE1 3.54Å; Y709-Y743 HydrophobicContact CD2-CE1 3.54Å; Y709-Y743 HydrophobicContact CE2-CE1 4.33Å; Y709-Y743 HydrophobicContact CG-CD1 4.32Å; Y709-Y743 HydrophobicContact CG-CE1 4.14Å; A739-Y743 HydrophobicContact CB-CD2 4.33Å; K740-Y743 HydrophobicContact CB-CD1 3.89Å; K740-Y743 HydrophobicContact CB-CD2 3.92Å; K740-Y743 HydrophobicContact CB-CE1 3.93Å; K740-Y743 HydrophobicContact CB-CE2 3.94Å; K740-Y743 HydrophobicContact CB-CG 3.89Å; K740-Y743 HydrophobicContact CG-CD2 4.31Å; K740-Y743 HydrophobicContact CG-CE1 4.16Å; K740-Y743 HydrophobicContact CG-CE2 3.84Å; K740-Y743 WeakPolarHBondContact O-CB 3.21Å; K740-Y743 PolarHBondContact O-N 3.23Å; P741-Y743 VanDerWaalsContact C-N 3.28Å; P741-Y743 PolarHBondContact O-N 3.35Å; Y743-Y745 WeakPolarHBondContact O-CD1 3.07Å; Y743-W754 AromaticContact CD2-CE3 3.91Å; Y743-W754 HydrophobicContact CD2-CE3 3.91Å; Y743-W754 HydrophobicContact CD2-CZ3 4.02Å; Y743-W754 HydrophobicContact CE2-CE3 4.23Å; Y743-F755 PolarHBondContact OH-O 3.42Å; Y743-P757 HydrophobicContact CE1-CG 4.37Å; Y743-P757 WeakPolarHBondContact OH-CD 3.33Å; Y743-P757 VanDerWaalsContact OH-N 3.15Å
744	Q	96.7	Very high	94.1	Very high	62 Å²	62	66.9 Å²	66.9	29%	0.29	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	112.1	175.8	-67.1	-59.8	-26.4	0	0	111.6	E708 Y709 Q710 T711 K775	E708-Q744 HydrophobicContact CB-CG 4.09Å; E708-Q744 HydrophobicContact CG-CG 4.38Å; E708-Q744 PolarHBondContact OE1-NE2 3.17Å; E708-Q744 WeakPolarHBondContact OE2-CG 3.31Å; E708-Q744 PolarHBondContact OE2-NE2 2.98Å; E708-Q744 VanDerWaalsContact OE2-NE2 3.12Å; Y709-Q744 PolarHBondContact O-N 2.89Å; Q710-Q744 HydrophobicContact CB-CB 4.46Å; Q710-Q744 HydrophobicContact CG-CB 4.12Å; Q710-Q744 HydrophobicContact CG-CG 4.45Å; T711-Q744 WeakPolarHBondContact CG2-O 3.31Å; T711-Q744 PolarHBondContact N-O 2.7Å; T711-Q744 PolarHBondContact OG1-O 3.21Å; T711-Q744 VanDerWaalsContact OG1-O 3.08Å; Q744-K775 HydrophobicContact CB-CB 3.97Å; Q744-K775 HydrophobicContact CB-CG 4.32Å
745	Y	95.7	Very high	94.2	Very high	77 Å²	77	64.1 Å²	64.1	30%	0.302	34%	0.338	S	S	.	.			trans	-146.3	163	-176.2	65.4	-84	0	0	0	112.3	A739 Y743 I750 W754	A739-Y745 HydrophobicContact CB-CD1 4.4Å; A739-Y745 HydrophobicContact CB-CE1 3.47Å; A739-Y745 VanDerWaalsContact CB-CE1 3.47Å; Y743-Y745 WeakPolarHBondContact O-CD1 3.07Å; Y745-I750 HydrophobicContact CD2-CG1 4.24Å; Y745-I750 HydrophobicContact CE2-CD1 4.49Å; Y745-I750 HydrophobicContact CE2-CG1 3.88Å; Y745-W754 AromaticContact CD1-CH2 3.65Å; Y745-W754 HydrophobicContact CD1-CH2 3.65Å; Y745-W754 HydrophobicContact CD1-CZ2 4.32Å; Y745-W754 HydrophobicContact CD1-CZ3 4.36Å; Y745-W754 AromaticContact CD2-CH2 3.76Å; Y745-W754 HydrophobicContact CD2-CH2 3.76Å; Y745-W754 HydrophobicContact CD2-CZ2 4.05Å; Y745-W754 AromaticContact CE1-CH2 3.83Å; Y745-W754 HydrophobicContact CE1-CH2 3.83Å; Y745-W754 HydrophobicContact CE1-CZ2 4.07Å; Y745-W754 AromaticContact CE2-CH2 3.93Å; Y745-W754 HydrophobicContact CE2-CH2 3.93Å; Y745-W754 AromaticContact CE2-CZ2 3.77Å; Y745-W754 HydrophobicContact CE2-CZ2 3.77Å; Y745-W754 AromaticContact CG-CH2 3.62Å; Y745-W754 HydrophobicContact CG-CH2 3.62Å; Y745-W754 HydrophobicContact CG-CZ2 4.32Å; Y745-W754 AromaticContact CZ-CH2 3.96Å; Y745-W754 AromaticContact CZ-CZ2 3.78Å
746	T	91.9	Very high	94.3	Very high	33 Å²	33	64.7 Å²	64.7	20%	0.202	33%	0.333	C	S	.	.			trans	-100.5	146.4	174.1	-51.3	0	0	0	0	110.3	S748 L749 G773	T746-S748 WeakPolarHBondContact CG2-OG 3.31Å; T746-S748 PolarHBondContact O-N 3.33Å; T746-L749 PolarHBondContact O-N 3.31Å; T746-G773 WeakPolarHBondContact CB-O 3.27Å; T746-G773 PolarHBondContact OG1-O 3.33Å
747	I	89.5	Confident	94.4	Very high	147 Å²	147	64.8 Å²	64.8	75%	0.754	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-54.4	-27	179	-56.9	168.2	0	0	0	112.3	L749 I750	I747-L749 PolarHBondContact O-N 3.11Å; I747-I750 HydrophobicContact CG2-CD1 4.1Å
748	S	85.3	Confident	94.7	Very high	86 Å²	86	59.3 Å²	59.3	60%	0.601	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-69.1	-13	176.9	54.2	0	0	0	0	114.9	T746	T746-S748 WeakPolarHBondContact CG2-OG 3.31Å; T746-S748 PolarHBondContact O-N 3.33Å
749	L	87.7	Confident	94.8	Very high	30 Å²	30	52.8 Å²	52.8	16%	0.157	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-124.1	23.9	-174.4	-68.9	-178.3	0	0	0	113.1	T746 I747 P751 G773 H774	T746-L749 PolarHBondContact O-N 3.31Å; I747-L749 PolarHBondContact O-N 3.11Å; L749-P751 WeakPolarHBondContact O-CD 3.22Å; L749-P751 VanDerWaalsContact O-N 3.16Å; L749-G773 WeakPolarHBondContact CD1-O 3.23Å; L749-H774 WeakPolarHBondContact CD1-CE1 3.41Å
750	I	93.5	Very high	95	Very high	86 Å²	86	52 Å²	52	44%	0.441	27%	0.272	S	S	.	.			trans	-60.5	120.1	172.8	-64.5	171.2	0	0	0	108.4	Y745 I747 W754	Y745-I750 HydrophobicContact CD2-CG1 4.24Å; Y745-I750 HydrophobicContact CE2-CD1 4.49Å; Y745-I750 HydrophobicContact CE2-CG1 3.88Å; I747-I750 HydrophobicContact CG2-CD1 4.1Å; I750-W754 HydrophobicContact CG2-CZ2 4.32Å
751	P	94.7	Very high	95.1	Very high	7 Å²	7	49.7 Å²	49.7	5%	0.045	26%	0.262	C	S	.	.			trans	-71	163.5	174.3	32.8	-33.7	0	0	0	110.8	G683 F684 L698 L749 Q753 W754	G683-P751 WeakPolarHBondContact O-CB 3.49Å; F684-P751 HydrophobicContact CE1-CB 4.22Å; F684-P751 HydrophobicContact CE2-CB 4.33Å; F684-P751 HydrophobicContact CZ-CB 4.1Å; L698-P751 HydrophobicContact CD2-CG 4.25Å; L749-P751 WeakPolarHBondContact O-CD 3.22Å; L749-P751 VanDerWaalsContact O-N 3.16Å; P751-Q753 VanDerWaalsContact C-N 3.27Å; P751-Q753 WeakPolarHBondContact CB-O 3.36Å; P751-W754 VanDerWaalsContact CD-CH2 3.47Å; P751-W754 HydrophobicContact CG-CD2 3.63Å; P751-W754 HydrophobicContact CG-CE3 3.72Å; P751-W754 HydrophobicContact CG-CG 4.23Å; P751-W754 HydrophobicContact CG-CH2 4.01Å; P751-W754 HydrophobicContact CG-CZ2 3.93Å; P751-W754 HydrophobicContact CG-CZ3 3.9Å
752	D	94.1	Very high	95.2	Very high	90 Å²	90	45.1 Å²	45.1	48%	0.481	23%	0.231	S	C	.	.	S	Bend	trans	-70.6	-30.5	174.1	-62	-64.7	0	0	0	111.1	G683 F684 Y685	G683-D752 PolarHBondContact O-N 3.22Å; F684-D752 VanDerWaalsContact CA-OD2 3.26Å; F684-D752 WeakPolarHBondContact CA-OD2 3.49Å; Y685-D752 HydrophobicContact CD2-CB 3.4Å; Y685-D752 HydrophobicContact CE2-CB 3.55Å; Y685-D752 HydrophobicContact CG-CB 4.12Å; Y685-D752 PolarHBondContact N-OD2 3.48Å
753	Q	96.1	Very high	95.1	Very high	38 Å²	38	41.1 Å²	41.1	18%	0.178	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	132.5	175.5	-172	63.4	64.7	0	0	110.5	G682 G683 Y694 A735 T736 P751 F755	G682-Q753 CarbonylContact C-O 3.39Å; G682-Q753 VanDerWaalsContact CA-O 3.23Å; G682-Q753 WeakPolarHBondContact CA-O 3.31Å; G683-Q753 PolarHBondContact N-O 3.08Å; G683-Q753 PolarHBondContact O-N 2.71Å; G683-Q753 VanDerWaalsContact O-N 3.07Å; Y694-Q753 HydrophobicContact CE1-CB 3.82Å; Y694-Q753 HydrophobicContact CE1-CG 4.42Å; A735-Q753 HydrophobicContact CB-CG 3.85Å; T736-Q753 PolarHBondContact O-NE2 3.32Å; P751-Q753 VanDerWaalsContact C-N 3.27Å; P751-Q753 WeakPolarHBondContact CB-O 3.36Å; Q753-F755 HydrophobicContact CB-CE1 3.92Å; Q753-F755 HydrophobicContact CB-CZ 4.33Å; Q753-F755 HydrophobicContact CG-CD1 4.06Å; Q753-F755 HydrophobicContact CG-CE1 3.49Å; Q753-F755 VanDerWaalsContact CG-CE1 3.49Å; Q753-F755 HydrophobicContact CG-CZ 4.37Å
754	W	98	Very high	94.6	Very high	20 Å²	20	43.4 Å²	43.4	8%	0.076	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	150	169	-66.4	99.6	0	0	0	110.5	I681 L698 A735 T736 A739 Y743 Y745 I750 P751	I681-W754 HydrophobicContact CD1-CZ3 4.42Å; L698-W754 HydrophobicContact CD2-CH2 4.27Å; L698-W754 HydrophobicContact CD2-CZ3 4.03Å; A735-W754 CarbonylContact C-O 2.97Å; A735-W754 WeakPolarHBondContact CA-O 3.33Å; T736-W754 PolarHBondContact N-O 2.98Å; T736-W754 WeakPolarHBondContact OG1-CB 3.27Å; T736-W754 PolarHBondContact OG1-O 3.21Å; A739-W754 HydrophobicContact CB-CD2 3.79Å; A739-W754 HydrophobicContact CB-CE3 4.05Å; A739-W754 HydrophobicContact CB-CG 4.38Å; A739-W754 HydrophobicContact CB-CH2 3.99Å; A739-W754 HydrophobicContact CB-CZ2 3.7Å; A739-W754 HydrophobicContact CB-CZ3 4.15Å; Y743-W754 AromaticContact CD2-CE3 3.91Å; Y743-W754 HydrophobicContact CD2-CE3 3.91Å; Y743-W754 HydrophobicContact CD2-CZ3 4.02Å; Y743-W754 HydrophobicContact CE2-CE3 4.23Å; Y745-W754 AromaticContact CD1-CH2 3.65Å; Y745-W754 HydrophobicContact CD1-CH2 3.65Å; Y745-W754 HydrophobicContact CD1-CZ2 4.32Å; Y745-W754 HydrophobicContact CD1-CZ3 4.36Å; Y745-W754 AromaticContact CD2-CH2 3.76Å; Y745-W754 HydrophobicContact CD2-CH2 3.76Å; Y745-W754 HydrophobicContact CD2-CZ2 4.05Å; Y745-W754 AromaticContact CE1-CH2 3.83Å; Y745-W754 HydrophobicContact CE1-CH2 3.83Å; Y745-W754 HydrophobicContact CE1-CZ2 4.07Å; Y745-W754 AromaticContact CE2-CH2 3.93Å; Y745-W754 HydrophobicContact CE2-CH2 3.93Å; Y745-W754 AromaticContact CE2-CZ2 3.77Å; Y745-W754 HydrophobicContact CE2-CZ2 3.77Å; Y745-W754 AromaticContact CG-CH2 3.62Å; Y745-W754 HydrophobicContact CG-CH2 3.62Å; Y745-W754 HydrophobicContact CG-CZ2 4.32Å; Y745-W754 AromaticContact CZ-CH2 3.96Å; Y745-W754 AromaticContact CZ-CZ2 3.78Å; I750-W754 HydrophobicContact CG2-CZ2 4.32Å; P751-W754 VanDerWaalsContact CD-CH2 3.47Å; P751-W754 HydrophobicContact CG-CD2 3.63Å; P751-W754 HydrophobicContact CG-CE3 3.72Å; P751-W754 HydrophobicContact CG-CG 4.23Å; P751-W754 HydrophobicContact CG-CH2 4.01Å; P751-W754 HydrophobicContact CG-CZ2 3.93Å; P751-W754 HydrophobicContact CG-CZ3 3.9Å
755	F	98.3	Very high	94	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	156.1	177.6	-55.4	-41	0	0	0	111.1	V680 I681 G682 G683 Y694 Y697 F731 H734 Y743 Q753	V680-F755 HydrophobicContact CG1-CD2 4.05Å; V680-F755 HydrophobicContact CG1-CE2 4.5Å; I681-F755 PolarHBondContact O-N 3.23Å; G682-F755 VanDerWaalsContact C-CD2 3.42Å; G682-F755 VanDerWaalsContact CA-CD2 3.43Å; G682-F755 WeakPolarHBondContact O-CE2 3.44Å; G683-F755 VanDerWaalsContact CA-CE2 3.49Å; Y694-F755 HydrophobicContact CD1-CZ 4.24Å; Y694-F755 HydrophobicContact CD2-CE1 4.47Å; Y694-F755 HydrophobicContact CD2-CE2 4.47Å; Y694-F755 AromaticContact CD2-CZ 3.68Å; Y694-F755 HydrophobicContact CD2-CZ 3.68Å; Y694-F755 HydrophobicContact CE1-CE1 4.34Å; Y694-F755 AromaticContact CE1-CZ 3.97Å; Y694-F755 HydrophobicContact CE1-CZ 3.97Å; Y694-F755 AromaticContact CE2-CE1 3.76Å; Y694-F755 HydrophobicContact CE2-CE1 3.76Å; Y694-F755 AromaticContact CE2-CZ 3.4Å; Y694-F755 HydrophobicContact CE2-CZ 3.4Å; Y694-F755 VanDerWaalsContact CE2-CZ 3.4Å; Y694-F755 HydrophobicContact CG-CZ 4.12Å; Y694-F755 AromaticContact CZ-CE1 3.68Å; Y694-F755 AromaticContact CZ-CZ 3.56Å; Y697-F755 AromaticContact CD1-CE2 3.97Å; Y697-F755 HydrophobicContact CD1-CE2 3.97Å; Y697-F755 HydrophobicContact CE1-CE2 4.13Å; F731-F755 HydrophobicContact CB-CD1 3.88Å; F731-F755 HydrophobicContact CB-CD2 3.88Å; F731-F755 HydrophobicContact CB-CE1 3.72Å; F731-F755 HydrophobicContact CB-CE2 3.68Å; F731-F755 HydrophobicContact CB-CG 4Å; F731-F755 HydrophobicContact CB-CZ 3.63Å; F731-F755 HydrophobicContact CD1-CB 3.92Å; F731-F755 HydrophobicContact CD1-CD1 4.36Å; F731-F755 AromaticContact CD1-CD2 3.56Å; F731-F755 HydrophobicContact CD1-CD2 3.56Å; F731-F755 HydrophobicContact CD1-CE2 4.15Å; F731-F755 AromaticContact CD1-CG 3.7Å; F731-F755 HydrophobicContact CD1-CG 3.7Å; F731-F755 HydrophobicContact CD2-CE2 4.45Å; F731-F755 HydrophobicContact CE1-CD2 4.25Å; F731-F755 AromaticContact CG-CD2 3.76Å; F731-F755 HydrophobicContact CG-CD2 3.76Å; F731-F755 AromaticContact CG-CE2 3.85Å; F731-F755 HydrophobicContact CG-CE2 3.85Å; F731-F755 HydrophobicContact CG-CG 4.13Å; F731-F755 HydrophobicContact CG-CZ 4.32Å; F731-F755 WeakPolarHBondContact O-CD1 3.5Å; H734-F755 CarbonylContact O-C 3.44Å; H734-F755 VanDerWaalsContact O-CA 3.25Å; H734-F755 WeakPolarHBondContact O-CA 3.39Å; Y743-F755 PolarHBondContact OH-O 3.42Å; Q753-F755 HydrophobicContact CB-CE1 3.92Å; Q753-F755 HydrophobicContact CB-CZ 4.33Å; Q753-F755 HydrophobicContact CG-CD1 4.06Å; Q753-F755 HydrophobicContact CG-CE1 3.49Å; Q753-F755 VanDerWaalsContact CG-CE1 3.49Å; Q753-F755 HydrophobicContact CG-CZ 4.37Å
756	E	97.6	Very high	92.9	Very high	56 Å²	56	37.9 Å²	37.9	26%	0.262	21%	0.206	S	C	.	.			trans	-65.3	146.4	161.4	-65.7	-65.8	165.8	0	0	109.9	H734 T736 K740 V758	H734-E756 HydrophobicContact CB-CB 4.39Å; H734-E756 PolarHBondContact O-N 3.02Å; T736-E756 HydrophobicContact CG2-CG 3.73Å; T736-E756 WeakPolarHBondContact CG2-OE1 3.48Å; K740-E756 WeakPolarHBondContact CE-OE1 3.34Å; K740-E756 WeakPolarHBondContact CE-OE2 3.43Å; K740-E756 IonicContact NZ-OE1 3.72Å; K740-E756 PolarHBondContact NZ-OE1 2.98Å; K740-E756 IonicContact NZ-OE2 2.73Å; K740-E756 PolarHBondContact NZ-OE2 3.4Å; E756-V758 HydrophobicContact CB-CG1 3.67Å; E756-V758 PolarHBondContact O-N 3.02Å
757	P	96.9	Very high	92.3	Very high	18 Å²	18	36.6 Å²	36.6	12%	0.117	20%	0.198	C	C	.	.	S	Bend	trans	-76.7	91.7	175.5	31.8	-25.8	0	0	0	107.9	V679 Y709 Y742 Y743 P803	V679-P757 HydrophobicContact CG1-CB 3.61Å; Y709-P757 HydrophobicContact CD2-CB 4.38Å; Y709-P757 HydrophobicContact CE2-CB 3.87Å; Y709-P757 HydrophobicContact CE2-CG 3.86Å; Y742-P757 HydrophobicContact CE2-CG 4.28Å; Y743-P757 HydrophobicContact CE1-CG 4.37Å; Y743-P757 WeakPolarHBondContact OH-CD 3.33Å; Y743-P757 VanDerWaalsContact OH-N 3.15Å; P757-P803 HydrophobicContact CB-CB 4.22Å; P757-P803 WeakPolarHBondContact O-CG 3.2Å
758	V	97.2	Very high	92.2	Very high	56 Å²	56	29.9 Å²	29.9	34%	0.339	16%	0.163	S	C	.	.			trans	-124.8	-9	-172.9	-66	0	0	0	0	114.1	F730 F731 H734 E756	F730-V758 HydrophobicContact CE1-CG2 3.79Å; F730-V758 HydrophobicContact CZ-CG2 3.98Å; F731-V758 HydrophobicContact CE1-CG2 4.18Å; H734-V758 HydrophobicContact CB-CG2 4Å; E756-V758 HydrophobicContact CB-CG1 3.67Å; E756-V758 PolarHBondContact O-N 3.02Å
759	Q	97.7	Very high	92.2	Very high	26 Å²	26	26.5 Å²	26.5	12%	0.121	14%	0.14	C	C	.	.			trans	-145.9	132	-175	-170.3	174	69.2	0	0	111.2	V680 F730 F731 I797	V680-Q759 PolarHBondContact N-O 2.82Å; V680-Q759 VanDerWaalsContact N-O 3.17Å; F730-Q759 HydrophobicContact CE1-CB 4.05Å; F731-Q759 HydrophobicContact CE1-CB 4.38Å; F731-Q759 HydrophobicContact CZ-CB 3.94Å; Q759-I797 HydrophobicContact CG-CG2 3.86Å
760	V	98.5	Very high	92.3	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.006	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	132.9	175.8	-174.9	0	0	0	0	109	D677 L678 V679 R798 K801 K802	D677-V760 HydrophobicContact CB-CG1 3.75Å; L678-V760 CarbonylContact O-C 3.48Å; L678-V760 WeakPolarHBondContact O-CA 3.16Å; V679-V760 HydrophobicContact CG2-CG2 4.36Å; V760-R798 HydrophobicContact CB-CB 4.12Å; V760-R798 HydrophobicContact CG1-CB 4.09Å; V760-R798 HydrophobicContact CG1-CG 4.5Å; V760-R798 PolarHBondContact O-N 3.36Å; V760-K801 HydrophobicContact CB-CB 4.3Å; V760-K801 HydrophobicContact CG1-CB 4.38Å; V760-K801 HydrophobicContact CG2-CB 4.26Å; V760-K802 WeakPolarHBondContact CG2-O 3.47Å
761	W	98.2	Very high	92.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	134.8	175.9	-72.6	4.9	0	0	0	110	D677 L678 V680 Y697 L699 I715 M719 F727 F731 V763 F794	D677-W761 WeakPolarHBondContact CA-O 3.33Å; L678-W761 PolarHBondContact N-O 2.93Å; L678-W761 PolarHBondContact O-N 2.98Å; V680-W761 HydrophobicContact CG2-CD2 3.48Å; V680-W761 VanDerWaalsContact CG2-CD2 3.48Å; V680-W761 HydrophobicContact CG2-CE3 3.92Å; V680-W761 HydrophobicContact CG2-CG 3.79Å; V680-W761 HydrophobicContact CG2-CH2 4.42Å; V680-W761 HydrophobicContact CG2-CZ2 4.05Å; V680-W761 HydrophobicContact CG2-CZ3 4.36Å; Y697-W761 HydrophobicContact CD1-CH2 4.18Å; Y697-W761 AromaticContact CD2-CH2 3.61Å; Y697-W761 HydrophobicContact CD2-CH2 3.61Å; Y697-W761 AromaticContact CD2-CZ3 3.93Å; Y697-W761 HydrophobicContact CD2-CZ3 3.93Å; Y697-W761 HydrophobicContact CE1-CH2 4.41Å; Y697-W761 AromaticContact CE2-CH2 3.87Å; Y697-W761 HydrophobicContact CE2-CH2 3.87Å; Y697-W761 AromaticContact CG-CH2 3.79Å; Y697-W761 HydrophobicContact CG-CH2 3.79Å; Y697-W761 HydrophobicContact CG-CZ3 4.06Å; L699-W761 HydrophobicContact CD1-CE3 4.47Å; L699-W761 HydrophobicContact CD2-CB 4.2Å; L699-W761 HydrophobicContact CD2-CE3 4.08Å; I715-W761 HydrophobicContact CG2-CE3 4.41Å; I715-W761 HydrophobicContact CG2-CZ3 4.06Å; M719-W761 HydrophobicContact CE-CH2 4.35Å; M719-W761 HydrophobicContact CE-CZ3 3.87Å; M719-W761 HydrophobicContact SD-CH2 3.71Å; M719-W761 HydrophobicContact SD-CZ3 3.77Å; F727-W761 HydrophobicContact CB-CZ2 4.2Å; F727-W761 HydrophobicContact CD1-CZ2 4.29Å; F727-W761 AromaticContact CD2-CH2 3.46Å; F727-W761 HydrophobicContact CD2-CH2 3.46Å; F727-W761 VanDerWaalsContact CD2-CH2 3.46Å; F727-W761 AromaticContact CD2-CZ2 3.35Å; F727-W761 HydrophobicContact CD2-CZ2 3.35Å; F727-W761 AromaticContact CE2-CH2 3.89Å; F727-W761 HydrophobicContact CE2-CH2 3.89Å; F727-W761 AromaticContact CE2-CZ2 3.69Å; F727-W761 HydrophobicContact CE2-CZ2 3.69Å; F727-W761 HydrophobicContact CG-CH2 4.16Å; F727-W761 AromaticContact CG-CZ2 3.69Å; F727-W761 HydrophobicContact CG-CZ2 3.69Å; F727-W761 HydrophobicContact CZ-CZ2 4.33Å; F731-W761 AromaticContact CE2-CZ2 3.86Å; F731-W761 HydrophobicContact CE2-CZ2 3.86Å; W761-V763 HydrophobicContact CB-CG2 4.25Å; W761-F794 HydrophobicContact CB-CD2 4.12Å; W761-F794 HydrophobicContact CB-CE2 4.18Å; W761-F794 AromaticContact CD2-CD2 3.61Å; W761-F794 HydrophobicContact CD2-CD2 3.61Å; W761-F794 AromaticContact CD2-CE2 3.68Å; W761-F794 HydrophobicContact CD2-CE2 3.68Å; W761-F794 AromaticContact CE2-CE2 4Å; W761-F794 AromaticContact CE3-CD2 3.54Å; W761-F794 HydrophobicContact CE3-CD2 3.54Å; W761-F794 HydrophobicContact CE3-CE2 4.09Å; W761-F794 HydrophobicContact CE3-CG 4.45Å; W761-F794 AromaticContact CG-CD2 3.9Å; W761-F794 HydrophobicContact CG-CD2 3.9Å; W761-F794 AromaticContact CG-CE2 3.73Å; W761-F794 HydrophobicContact CG-CE2 3.73Å; W761-F794 HydrophobicContact CZ3-CD2 4.16Å
762	E	97	Very high	91.9	Very high	24 Å²	24	29 Å²	29	11%	0.112	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	122.7	165.4	-172.7	173.9	168.1	0	0	108.6	T675 V795 R796 R798	T675-E762 WeakPolarHBondContact CB-OE1 3.2Å; T675-E762 HydrophobicContact CG2-CG 4.3Å; T675-E762 WeakPolarHBondContact CG2-OE1 3.47Å; T675-E762 PolarHBondContact OG1-OE1 3.14Å; E762-V795 HydrophobicContact CB-CB 4.23Å; E762-V795 HydrophobicContact CG-CB 4.14Å; E762-V795 HydrophobicContact CG-CG2 4.45Å; E762-V795 WeakPolarHBondContact O-CB 3.14Å; E762-V795 PolarHBondContact O-N 3.48Å; E762-R796 HydrophobicContact CB-CG 3.99Å; E762-R796 PolarHBondContact N-O 2.97Å; E762-R796 IonicContact OE2-CZ 3.98Å; E762-R796 VanDerWaalsContact OE2-CZ 3.28Å; E762-R796 IonicContact OE2-NE 3.37Å; E762-R796 PolarHBondContact OE2-NE 3.23Å; E762-R796 IonicContact OE2-NH2 3.16Å; E762-R796 PolarHBondContact OE2-NH2 3.5Å; E762-R798 HydrophobicContact CB-CG 3.86Å; E762-R798 IonicContact OE2-NH1 2.77Å
763	V	94.2	Very high	91.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	121.6	-176.3	179.5	0	0	0	0	109.1	T675 L676 L678 L699 I715 W761 L789 P792 R793	T675-V763 WeakPolarHBondContact CA-O 3.44Å; L676-V763 PolarHBondContact N-O 3.01Å; L676-V763 PolarHBondContact O-N 3.31Å; L678-V763 HydrophobicContact CD1-CB 4.16Å; L678-V763 HydrophobicContact CD1-CG2 4.17Å; L699-V763 HydrophobicContact CD2-CG2 3.68Å; I715-V763 HydrophobicContact CD1-CG1 3.97Å; I715-V763 HydrophobicContact CD1-CG2 4.33Å; W761-V763 HydrophobicContact CB-CG2 4.25Å; V763-L789 HydrophobicContact CG1-CD1 3.93Å; V763-P792 HydrophobicContact CG1-CB 3.74Å; V763-R793 WeakPolarHBondContact CA-O 3.3Å
764	K	87.5	Confident	91.7	Very high	55 Å²	55	24.5 Å²	24.5	24%	0.239	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	133.7	170.5	-165.7	177.2	-174.1	-169.5	0	109.3	D667 V672 T675 P792 R793 V795	D667-K764 PolarHBondContact O-NZ 2.95Å; D667-K764 VanDerWaalsContact O-NZ 3.14Å; V672-K764 VanDerWaalsContact O-CE 3.25Å; V672-K764 WeakPolarHBondContact O-CE 3.25Å; V672-K764 PolarHBondContact O-NZ 3.01Å; T675-K764 HydrophobicContact CG2-CB 4.13Å; T675-K764 HydrophobicContact CG2-CG 4.21Å; K764-P792 CarbonylContact O-C 3.58Å; K764-P792 WeakPolarHBondContact O-CA 3.23Å; K764-R793 PolarHBondContact N-O 3.45Å; K764-R793 PolarHBondContact O-N 3.21Å; K764-V795 HydrophobicContact CB-CG2 3.81Å
765	A	84.1	Confident	91.6	Very high	6 Å²	6	26.7 Å²	26.7	5%	0.05	15%	0.149	C	C	.	.			trans	-118.9	150.8	172.5	0	0	0	0	0	110.7	D674 L676 L789	D674-A765 PolarHBondContact O-N 3.01Å; L676-A765 HydrophobicContact CD1-CB 4.39Å; A765-L789 HydrophobicContact CB-CB 3.87Å; A765-L789 HydrophobicContact CB-CD1 4.13Å; A765-L789 HydrophobicContact CB-CD2 3.88Å; A765-L789 HydrophobicContact CB-CG 4.15Å
766	A	73.5	Confident	91.6	Very high	17 Å²	17	26.7 Å²	26.7	14%	0.14	15%	0.149	C	C	.	.	S	Bend	trans	-71.9	-36.6	173.1	0	0	0	0	0	111.8	K666 D667 R790 F791	K666-A766 WeakPolarHBondContact CE-O 3.44Å; D667-A766 VanDerWaalsContact CG-CB 3.45Å; D667-A766 WeakPolarHBondContact OD1-CA 3.25Å; D667-A766 WeakPolarHBondContact OD1-CB 3.46Å; A766-R790 PolarHBondContact N-O 2.61Å; A766-F791 HydrophobicContact CB-CB 4.21Å; A766-F791 HydrophobicContact CB-CD2 3.96Å
767	D	78.3	Confident	91.5	Very high	6 Å²	6	24.1 Å²	24.1	3%	0.032	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.4	161.9	-166.1	-160.7	-79.2	0	0	0	109.4	K666 R790 Q819	K666-D767 IonicContact NZ-OD2 2.78Å; K666-D767 PolarHBondContact NZ-OD2 3.41Å; D767-R790 HydrophobicContact CB-CB 4.06Å; D767-R790 HydrophobicContact CB-CG 4.28Å; D767-R790 VanDerWaalsContact CG-CZ 3.5Å; D767-R790 WeakPolarHBondContact O-CB 3.03Å; D767-R790 PolarHBondContact O-N 2.82Å; D767-R790 IonicContact OD1-CZ 2.75Å; D767-R790 VanDerWaalsContact OD1-CZ 3.25Å; D767-R790 IonicContact OD1-NE 3.94Å; D767-R790 PolarHBondContact OD1-NE 2.89Å; D767-R790 IonicContact OD1-NH2 3.5Å; D767-R790 PolarHBondContact OD1-NH2 2.85Å; D767-R790 IonicContact OD2-CZ 3.31Å; D767-R790 IonicContact OD2-NH2 3.64Å; D767-R790 PolarHBondContact OD2-NH2 2.84Å; D767-Q819 VanDerWaalsContact CA-OE1 3.28Å; D767-Q819 PolarHBondContact OD1-OE1 3.4Å; D767-Q819 PolarHBondContact OD2-OE1 3.07Å
768	L	87.6	Confident	91.3	Very high	5 Å²	5	25.1 Å²	25.1	3%	0.026	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	135.8	176.7	-64.1	95.4	0	0	0	110.3	I787 L789 V812 L815 Y816 Q819	L768-I787 HydrophobicContact CB-CG2 3.85Å; L768-I787 HydrophobicContact CD2-CG2 3.81Å; L768-I787 HydrophobicContact CG-CG2 4.4Å; L768-L789 HydrophobicContact CD2-CD2 3.99Å; L768-L789 HydrophobicContact CG-CD2 3.99Å; L768-V812 HydrophobicContact CD2-CG1 3.96Å; L768-L815 HydrophobicContact CD1-CB 4.05Å; L768-L815 HydrophobicContact CD2-CB 4.23Å; L768-Y816 HydrophobicContact CB-CD2 4.02Å; L768-Y816 WeakPolarHBondContact O-CD2 3.43Å; L768-Q819 PolarHBondContact O-NE2 3.14Å
769	S	85.7	Confident	91	Very high	16 Å²	16	24.7 Å²	24.7	11%	0.112	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	146	-177.6	61.8	0	0	0	0	113	Q555 S771 I787 S788	Q555-S769 VanDerWaalsContact NE2-CB 3.32Å; S769-S771 PolarHBondContact O-N 2.89Å; S769-I787 CarbonylContact O-C 3.5Å; S769-S788 PolarHBondContact N-O 3.28Å; S769-S788 PolarHBondContact O-N 2.97Å; S769-S788 PolarHBondContact O-OG 2.76Å
770	I	90.7	Very high	90.7	Very high	63 Å²	63	27.2 Å²	27.2	32%	0.323	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	132	175.1	-60.5	172.1	0	0	0	109.4	D782 K785 G786 Y816	I770-D782 HydrophobicContact CD1-CB 4.38Å; I770-D782 HydrophobicContact CG2-CB 3.97Å; I770-K785 HydrophobicContact CG2-CB 3.62Å; I770-K785 HydrophobicContact CG2-CD 3.87Å; I770-K785 HydrophobicContact CG2-CG 4.39Å; I770-G786 CarbonylContact C-O 3.57Å; I770-G786 WeakPolarHBondContact CA-O 3.4Å; I770-Y816 WeakPolarHBondContact CD1-OH 3.42Å; I770-Y816 HydrophobicContact CG1-CE2 4.3Å
771	S	90.4	Very high	90.1	Very high	18 Å²	18	28.6 Å²	28.6	13%	0.126	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	127.9	-175.9	-178.8	0	0	0	0	112.8	S769 G773 G786 S788	S769-S771 PolarHBondContact O-N 2.89Å; S771-G773 PolarHBondContact O-N 3.45Å; S771-G773 PolarHBondContact OG-N 2.96Å; S771-G773 VanDerWaalsContact OG-N 3.16Å; S771-G786 PolarHBondContact N-O 3.03Å; S771-G786 PolarHBondContact O-N 2.71Å; S771-G786 VanDerWaalsContact O-N 3.17Å; S771-S788 VanDerWaalsContact CB-OG 3.22Å; S771-S788 WeakPolarHBondContact CB-OG 3.33Å
772	P	89.3	Confident	89.8	Confident	95 Å²	95	29.8 Å²	29.8	62%	0.617	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-10.1	171.1	32.9	-35.6	0	0	0	112.7	K785	P772-K785 HydrophobicContact CB-CD 4.17Å; P772-K785 HydrophobicContact CB-CG 4.21Å
773	G	89.6	Confident	89.3	Confident	13 Å²	13	34.4 Å²	34.4	13%	0.134	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-25.7	179.5	0	0	0	0	0	113.1	T746 L749 S771	T746-G773 WeakPolarHBondContact CB-O 3.27Å; T746-G773 PolarHBondContact OG1-O 3.33Å; L749-G773 WeakPolarHBondContact CD1-O 3.23Å; S771-G773 PolarHBondContact O-N 3.45Å; S771-G773 PolarHBondContact OG-N 2.96Å; S771-G773 VanDerWaalsContact OG-N 3.16Å
774	H	95.7	Very high	89	Confident	19 Å²	19	42 Å²	42	9%	0.088	25%	0.253	C	S	.	.			trans	-115.4	163.1	-170	-73.4	-68.7	0	0	0	111.5	T711 I712 C713 L749 G786 I787 S788	T711-H774 VanDerWaalsContact O-CB 3.26Å; T711-H774 WeakPolarHBondContact O-CB 3.44Å; T711-H774 PolarHBondContact O-ND1 2.62Å; I712-H774 VanDerWaalsContact C-CE1 3.48Å; I712-H774 VanDerWaalsContact C-ND1 3.32Å; I712-H774 PolarHBondContact N-ND1 3.43Å; C713-H774 VanDerWaalsContact CA-CE1 3.42Å; C713-H774 WeakPolarHBondContact CA-CE1 3.36Å; C713-H774 PolarHBondContact N-CE1 2.92Å; C713-H774 VanDerWaalsContact N-CE1 3.34Å; L749-H774 WeakPolarHBondContact CD1-CE1 3.41Å; H774-G786 WeakPolarHBondContact O-CA 3.18Å; H774-G786 PolarHBondContact O-N 3.49Å; H774-G786 VanDerWaalsContact O-N 3.17Å; H774-I787 WeakPolarHBondContact CB-O 3.17Å; H774-S788 WeakPolarHBondContact CD2-CB 3.33Å
775	K	96.5	Very high	89.2	Confident	66 Å²	66	43.4 Å²	43.4	29%	0.287	26%	0.259	S	S	.	.			trans	-120.9	-7.9	-174.2	-70.1	-62.7	-174	177.5	0	114.6	Q710 T711 Q744 A777 A778	Q710-K775 HydrophobicContact CB-CB 4.39Å; Q710-K775 PolarHBondContact OE1-O 2.82Å; T711-K775 PolarHBondContact O-N 3.38Å; T711-K775 PolarHBondContact OG1-N 2.85Å; Q744-K775 HydrophobicContact CB-CB 3.97Å; Q744-K775 HydrophobicContact CB-CG 4.32Å; K775-A777 PolarHBondContact O-N 3.16Å; K775-A778 HydrophobicContact CD-CB 4.4Å; K775-A778 VanDerWaalsContact O-CB 3.24Å; K775-A778 WeakPolarHBondContact O-CB 3.43Å; K775-A778 PolarHBondContact O-N 3.43Å; K775-A778 VanDerWaalsContact O-N 3.09Å
776	A	97.2	Very high	89.7	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	126.8	175.7	0	0	0	0	0	111.4	C701 Q710 T711 I712 A778 G786 I787 V812	C701-A776 WeakPolarHBondContact SG-CB 3.37Å; Q710-A776 HydrophobicContact CB-CB 4.45Å; T711-A776 PolarHBondContact O-N 3.31Å; I712-A776 HydrophobicContact CB-CB 3.7Å; I712-A776 HydrophobicContact CD1-CB 3.95Å; I712-A776 HydrophobicContact CG1-CB 3.63Å; A776-A778 PolarHBondContact O-N 3.23Å; A776-G786 CarbonylContact O-C 3.53Å; A776-G786 WeakPolarHBondContact O-CA 3.2Å; A776-I787 PolarHBondContact O-N 3.43Å; A776-V812 HydrophobicContact CB-CG1 4.5Å
777	A	95.6	Very high	90.7	Very high	3 Å²	3	42.3 Å²	42.3	3%	0.025	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	25.9	179.1	0	0	0	0	0	114.2	K775 G779 L780 I787 A809 V812	K775-A777 PolarHBondContact O-N 3.16Å; A777-G779 PolarHBondContact O-N 3.27Å; A777-L780 HydrophobicContact CB-CB 4.45Å; A777-L780 HydrophobicContact CB-CD1 4.03Å; A777-L780 WeakPolarHBondContact O-CB 3.49Å; A777-L780 PolarHBondContact O-N 3.26Å; A777-L780 VanDerWaalsContact O-N 3.11Å; A777-I787 HydrophobicContact CB-CD1 3.85Å; A777-I787 HydrophobicContact CB-CG1 4.35Å; A777-A809 WeakPolarHBondContact CB-O 3.14Å; A777-V812 HydrophobicContact CB-CG1 4.45Å
778	A	93.2	Very high	91.5	Very high	39 Å²	39	42.8 Å²	42.8	32%	0.322	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	132.3	176.6	0	0	0	0	0	110	K775 A776	K775-A778 HydrophobicContact CD-CB 4.4Å; K775-A778 VanDerWaalsContact O-CB 3.24Å; K775-A778 WeakPolarHBondContact O-CB 3.43Å; K775-A778 PolarHBondContact O-N 3.43Å; K775-A778 VanDerWaalsContact O-N 3.09Å; A776-A778 PolarHBondContact O-N 3.23Å
779	G	90.9	Very high	91.6	Very high	46 Å²	46	43.1 Å²	43.1	47%	0.474	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.4	-19.9	-173	0	0	0	0	0	114.2	A777 D782	A777-G779 PolarHBondContact O-N 3.27Å; G779-D782 WeakPolarHBondContact CA-O 3.47Å; G779-D782 PolarHBondContact N-O 2.84Å
780	L	91	Very high	91.3	Very high	79 Å²	79	44 Å²	44	41%	0.414	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-58.4	178.1	-59.1	-179	0	0	0	111.8	A777 Y813	A777-L780 HydrophobicContact CB-CB 4.45Å; A777-L780 HydrophobicContact CB-CD1 4.03Å; A777-L780 WeakPolarHBondContact O-CB 3.49Å; A777-L780 PolarHBondContact O-N 3.26Å; A777-L780 VanDerWaalsContact O-N 3.11Å; L780-Y813 HydrophobicContact CB-CD1 4.4Å; L780-Y813 HydrophobicContact CB-CD2 3.73Å; L780-Y813 HydrophobicContact CB-CE2 4.1Å; L780-Y813 HydrophobicContact CB-CG 3.9Å; L780-Y813 HydrophobicContact CD1-CD1 4.45Å; L780-Y813 HydrophobicContact CD1-CG 4.11Å
781	A	86.5	Confident	90.7	Very high	30 Å²	30	46.7 Å²	46.7	25%	0.248	27%	0.267	C	S	.	.	S	Bend	trans	-87.6	-30.2	179.6	0	0	0	0	0	113.9	I787 Y813 Y816	A781-I787 HydrophobicContact CB-CD1 3.97Å; A781-I787 HydrophobicContact CB-CG1 4.2Å; A781-Y813 HydrophobicContact CB-CD2 3.95Å; A781-Y813 HydrophobicContact CB-CE2 3.9Å; A781-Y816 HydrophobicContact CB-CD1 4Å; A781-Y816 HydrophobicContact CB-CE1 3.78Å
782	D	90.3	Very high	90.6	Very high	26 Å²	26	46.6 Å²	46.6	14%	0.139	27%	0.266	C	S	.	.	S	Bend	trans	-142.6	141.6	176.4	177.2	-65.8	0	0	0	108.3	I770 G779 Q784 K785	I770-D782 HydrophobicContact CD1-CB 4.38Å; I770-D782 HydrophobicContact CG2-CB 3.97Å; G779-D782 WeakPolarHBondContact CA-O 3.47Å; G779-D782 PolarHBondContact N-O 2.84Å; D782-Q784 PolarHBondContact O-N 3.15Å; D782-Q784 PolarHBondContact OD1-N 3.32Å; D782-K785 HydrophobicContact CB-CB 4.01Å; D782-K785 PolarHBondContact OD1-N 2.96Å; D782-K785 IonicContact OD2-NZ 2.8Å; D782-K785 PolarHBondContact OD2-NZ 3.17Å
783	P	86.8	Confident	90.4	Very high	120 Å²	120	48.2 Å²	48.2	78%	0.779	26%	0.259	S	S	*	.	S	Bend	trans	-58.8	-22.3	-176.2	-25.6	34	0	0	0	115.4
784	Q	88.1	Confident	90.5	Very high	160 Å²	160	48.1 Å²	48.1	75%	0.748	26%	0.256	S	S	*	.	S	Bend	trans	-132	-28.6	-176.3	-67.7	-174.7	-2.5	0	0	114.5	D782	D782-Q784 PolarHBondContact O-N 3.15Å; D782-Q784 PolarHBondContact OD1-N 3.32Å
785	K	92	Very high	90.3	Very high	84 Å²	84	50.6 Å²	50.6	37%	0.365	27%	0.272	S	S	.	.			trans	-93.2	145.2	-175.9	-56.1	-178.9	-152.4	109.9	0	110.4	I770 P772 D782	I770-K785 HydrophobicContact CG2-CB 3.62Å; I770-K785 HydrophobicContact CG2-CD 3.87Å; I770-K785 HydrophobicContact CG2-CG 4.39Å; P772-K785 HydrophobicContact CB-CD 4.17Å; P772-K785 HydrophobicContact CB-CG 4.21Å; D782-K785 HydrophobicContact CB-CB 4.01Å; D782-K785 PolarHBondContact OD1-N 2.96Å; D782-K785 IonicContact OD2-NZ 2.8Å; D782-K785 PolarHBondContact OD2-NZ 3.17Å
786	G	94.5	Very high	90.2	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.01	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	-172	171.7	0	0	0	0	0	112.5	I770 S771 H774 A776	I770-G786 CarbonylContact C-O 3.57Å; I770-G786 WeakPolarHBondContact CA-O 3.4Å; S771-G786 PolarHBondContact N-O 3.03Å; S771-G786 PolarHBondContact O-N 2.71Å; S771-G786 VanDerWaalsContact O-N 3.17Å; H774-G786 WeakPolarHBondContact O-CA 3.18Å; H774-G786 PolarHBondContact O-N 3.49Å; H774-G786 VanDerWaalsContact O-N 3.17Å; A776-G786 CarbonylContact O-C 3.53Å; A776-G786 WeakPolarHBondContact O-CA 3.2Å
787	I	95.2	Very high	90.2	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	149	173.5	-64.7	173.3	0	0	0	109	L768 S769 H774 A776 A777 A781 V812 Y813 Y816	L768-I787 HydrophobicContact CB-CG2 3.85Å; L768-I787 HydrophobicContact CD2-CG2 3.81Å; L768-I787 HydrophobicContact CG-CG2 4.4Å; S769-I787 CarbonylContact O-C 3.5Å; H774-I787 WeakPolarHBondContact CB-O 3.17Å; A776-I787 PolarHBondContact O-N 3.43Å; A777-I787 HydrophobicContact CB-CD1 3.85Å; A777-I787 HydrophobicContact CB-CG1 4.35Å; A781-I787 HydrophobicContact CB-CD1 3.97Å; A781-I787 HydrophobicContact CB-CG1 4.2Å; I787-V812 HydrophobicContact CB-CG1 3.98Å; I787-V812 HydrophobicContact CD1-CG1 4.15Å; I787-V812 HydrophobicContact CG2-CG1 3.82Å; I787-Y813 HydrophobicContact CD1-CD2 4.4Å; I787-Y816 HydrophobicContact CD1-CD1 4.09Å; I787-Y816 HydrophobicContact CD1-CD2 4.44Å; I787-Y816 HydrophobicContact CD1-CG 3.81Å
788	S	93.6	Very high	90.3	Very high	15 Å²	15	56.6 Å²	56.6	11%	0.105	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	152.5	174.9	69.4	0	0	0	0	112.7	I712 S769 S771 H774	I712-S788 WeakPolarHBondContact O-CA 3.26Å; I712-S788 WeakPolarHBondContact O-CB 3.27Å; S769-S788 PolarHBondContact N-O 3.28Å; S769-S788 PolarHBondContact O-N 2.97Å; S769-S788 PolarHBondContact O-OG 2.76Å; S771-S788 VanDerWaalsContact CB-OG 3.22Å; S771-S788 WeakPolarHBondContact CB-OG 3.33Å; H774-S788 WeakPolarHBondContact CD2-CB 3.33Å
789	L	90.4	Very high	90.4	Very high	13 Å²	13	61.6 Å²	61.6	7%	0.068	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	133	179.3	-56.6	-174.2	0	0	0	111.9	L676 L678 I712 C713 V763 A765 L768 P792	L676-L789 HydrophobicContact CD1-CD1 4.15Å; L676-L789 HydrophobicContact CD1-CD2 3.8Å; L676-L789 HydrophobicContact CD2-CD2 4.03Å; L678-L789 HydrophobicContact CD1-CD1 3.67Å; I712-L789 HydrophobicContact CD1-CD2 3.95Å; I712-L789 HydrophobicContact CD1-CG 4.18Å; I712-L789 HydrophobicContact CG1-CD2 4.35Å; I712-L789 HydrophobicContact CG1-CG 4.15Å; I712-L789 PolarHBondContact O-N 2.78Å; C713-L789 HydrophobicContact CB-CB 4.06Å; C713-L789 HydrophobicContact CB-CD1 4.27Å; C713-L789 HydrophobicContact CB-CG 4.22Å; V763-L789 HydrophobicContact CG1-CD1 3.93Å; A765-L789 HydrophobicContact CB-CB 3.87Å; A765-L789 HydrophobicContact CB-CD1 4.13Å; A765-L789 HydrophobicContact CB-CD2 3.88Å; A765-L789 HydrophobicContact CB-CG 4.15Å; L768-L789 HydrophobicContact CD2-CD2 3.99Å; L768-L789 HydrophobicContact CG-CD2 3.99Å; L789-P792 HydrophobicContact CB-CB 4.08Å; L789-P792 HydrophobicContact CB-CG 4.44Å; L789-P792 HydrophobicContact CD1-CB 4.32Å
790	R	79.4	Confident	90.6	Very high	35 Å²	35	63.9 Å²	63.9	13%	0.132	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	132.4	168.4	-65.7	-157.1	-99.3	174.6	-9.6	110.2	D458 A766 D767	D458-R790 IonicContact OD2-NH1 3.68Å; D458-R790 PolarHBondContact OD2-NH1 3.31Å; A766-R790 PolarHBondContact N-O 2.61Å; D767-R790 HydrophobicContact CB-CB 4.06Å; D767-R790 HydrophobicContact CB-CG 4.28Å; D767-R790 VanDerWaalsContact CG-CZ 3.5Å; D767-R790 WeakPolarHBondContact O-CB 3.03Å; D767-R790 PolarHBondContact O-N 2.82Å; D767-R790 IonicContact OD1-CZ 2.75Å; D767-R790 VanDerWaalsContact OD1-CZ 3.25Å; D767-R790 IonicContact OD1-NE 3.94Å; D767-R790 PolarHBondContact OD1-NE 2.89Å; D767-R790 IonicContact OD1-NH2 3.5Å; D767-R790 PolarHBondContact OD1-NH2 2.85Å; D767-R790 IonicContact OD2-CZ 3.31Å; D767-R790 IonicContact OD2-NH2 3.64Å; D767-R790 PolarHBondContact OD2-NH2 2.84Å
791	F	78.1	Confident	90.9	Very high	119 Å²	119	63 Å²	63	52%	0.522	31%	0.311	S	S	.	.	S	Bend	trans	48.1	48.5	-179.5	-55.4	-69.9	0	0	0	115.2	A766 R793	A766-F791 HydrophobicContact CB-CB 4.21Å; A766-F791 HydrophobicContact CB-CD2 3.96Å; F791-R793 PolarHBondContact O-N 2.85Å
792	P	87.7	Confident	91.4	Very high	16 Å²	16	68.1 Å²	68.1	10%	0.104	33%	0.327	C	S	.	.			trans	-60.7	137.2	-178.1	27.6	-35.6	0	0	0	111.5	C713 I715 T717 V763 K764 L789	C713-P792 HydrophobicContact CB-CB 4.42Å; C713-P792 HydrophobicContact CB-CG 4.17Å; I715-P792 HydrophobicContact CD1-CB 4.04Å; I715-P792 HydrophobicContact CG1-CB 4.23Å; I715-P792 HydrophobicContact CG1-CG 4.34Å; T717-P792 PolarHBondContact OG1-O 2.88Å; V763-P792 HydrophobicContact CG1-CB 3.74Å; K764-P792 CarbonylContact O-C 3.58Å; K764-P792 WeakPolarHBondContact O-CA 3.23Å; L789-P792 HydrophobicContact CB-CB 4.08Å; L789-P792 HydrophobicContact CB-CG 4.44Å; L789-P792 HydrophobicContact CD1-CB 4.32Å
793	R	85.3	Confident	91.7	Very high	128 Å²	128	67.7 Å²	67.7	48%	0.483	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	131.6	176	-65.8	177.3	-174.2	-90.8	-3	110.1	V763 K764 F791 V795	V763-R793 WeakPolarHBondContact CA-O 3.3Å; K764-R793 PolarHBondContact N-O 3.45Å; K764-R793 PolarHBondContact O-N 3.21Å; F791-R793 PolarHBondContact O-N 2.85Å; R793-V795 PolarHBondContact O-N 3.02Å
794	F	92.3	Very high	92.1	Very high	12 Å²	12	66.4 Å²	66.4	5%	0.053	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	133	170.4	172	-100.8	0	0	0	108.7	I715 T717 M719 F727 W761 R796 I797	I715-F794 HydrophobicContact CD1-CB 4.22Å; T717-F794 PolarHBondContact O-N 3.48Å; T717-F794 VanDerWaalsContact O-N 3.09Å; M719-F794 HydrophobicContact CE-CB 4.36Å; M719-F794 HydrophobicContact CG-CB 3.73Å; M719-F794 HydrophobicContact CG-CD1 3.72Å; M719-F794 HydrophobicContact CG-CG 3.78Å; F727-F794 HydrophobicContact CE2-CD1 4.49Å; F727-F794 HydrophobicContact CE2-CE1 4.06Å; F727-F794 HydrophobicContact CE2-CE2 4.17Å; F727-F794 AromaticContact CE2-CZ 3.88Å; F727-F794 HydrophobicContact CE2-CZ 3.88Å; F727-F794 AromaticContact CZ-CE1 3.9Å; F727-F794 HydrophobicContact CZ-CE1 3.9Å; F727-F794 HydrophobicContact CZ-CE2 4.11Å; F727-F794 AromaticContact CZ-CZ 3.52Å; F727-F794 HydrophobicContact CZ-CZ 3.52Å; W761-F794 HydrophobicContact CB-CD2 4.12Å; W761-F794 HydrophobicContact CB-CE2 4.18Å; W761-F794 AromaticContact CD2-CD2 3.61Å; W761-F794 HydrophobicContact CD2-CD2 3.61Å; W761-F794 AromaticContact CD2-CE2 3.68Å; W761-F794 HydrophobicContact CD2-CE2 3.68Å; W761-F794 AromaticContact CE2-CE2 4Å; W761-F794 AromaticContact CE3-CD2 3.54Å; W761-F794 HydrophobicContact CE3-CD2 3.54Å; W761-F794 HydrophobicContact CE3-CE2 4.09Å; W761-F794 HydrophobicContact CE3-CG 4.45Å; W761-F794 AromaticContact CG-CD2 3.9Å; W761-F794 HydrophobicContact CG-CD2 3.9Å; W761-F794 AromaticContact CG-CE2 3.73Å; W761-F794 HydrophobicContact CG-CE2 3.73Å; W761-F794 HydrophobicContact CZ3-CD2 4.16Å; F794-R796 WeakPolarHBondContact CE2-O 3.34Å; F794-I797 HydrophobicContact CE2-CG1 4.22Å; F794-I797 HydrophobicContact CZ-CG1 4.13Å
795	V	91.1	Very high	92.5	Very high	70 Å²	70	62.8 Å²	62.8	42%	0.424	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	-58.6	175	-178.5	0	0	0	0	109.1	E762 K764 R793	E762-V795 HydrophobicContact CB-CB 4.23Å; E762-V795 HydrophobicContact CG-CB 4.14Å; E762-V795 HydrophobicContact CG-CG2 4.45Å; E762-V795 WeakPolarHBondContact O-CB 3.14Å; E762-V795 PolarHBondContact O-N 3.48Å; K764-V795 HydrophobicContact CB-CG2 3.81Å; R793-V795 PolarHBondContact O-N 3.02Å
796	R	94.8	Very high	92.8	Very high	111 Å²	111	58.9 Å²	58.9	42%	0.419	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	166.2	179.7	61	179.8	178.9	125.6	4.6	111.7	E762 F794	E762-R796 HydrophobicContact CB-CG 3.99Å; E762-R796 PolarHBondContact N-O 2.97Å; E762-R796 IonicContact OE2-CZ 3.98Å; E762-R796 VanDerWaalsContact OE2-CZ 3.28Å; E762-R796 IonicContact OE2-NE 3.37Å; E762-R796 PolarHBondContact OE2-NE 3.23Å; E762-R796 IonicContact OE2-NH2 3.16Å; E762-R796 PolarHBondContact OE2-NH2 3.5Å; F794-R796 WeakPolarHBondContact CE2-O 3.34Å
797	I	97.5	Very high	92.9	Very high	53 Å²	53	59.4 Å²	59.4	27%	0.272	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	141.1	164	-66.5	162.4	0	0	0	108.5	F727 Q759 F794	F727-I797 HydrophobicContact CD1-CD1 4.26Å; F727-I797 HydrophobicContact CE1-CD1 3.43Å; F727-I797 VanDerWaalsContact CE1-CD1 3.43Å; F727-I797 HydrophobicContact CE1-CG1 4.15Å; F727-I797 HydrophobicContact CZ-CD1 4.03Å; F727-I797 HydrophobicContact CZ-CG1 4.3Å; Q759-I797 HydrophobicContact CG-CG2 3.86Å; F794-I797 HydrophobicContact CE2-CG1 4.22Å; F794-I797 HydrophobicContact CZ-CG1 4.13Å
798	R	97.2	Very high	93	Very high	32 Å²	32	60.9 Å²	60.9	12%	0.121	29%	0.291	C	S	.	.			trans	-103.4	79.7	172	-64.8	-64	-60.6	-88.4	0.5	109.3	D677 V760 E762 D800 K801	D677-R798 WeakPolarHBondContact OD1-CG 3.43Å; D677-R798 IonicContact OD1-CZ 3.95Å; D677-R798 IonicContact OD1-NH1 2.61Å; D677-R798 PolarHBondContact OD1-NH1 2.97Å; D677-R798 IonicContact OD2-CZ 2.7Å; D677-R798 IonicContact OD2-NH1 2.82Å; D677-R798 PolarHBondContact OD2-NH1 3.24Å; D677-R798 IonicContact OD2-NH2 2.84Å; V760-R798 HydrophobicContact CB-CB 4.12Å; V760-R798 HydrophobicContact CG1-CB 4.09Å; V760-R798 HydrophobicContact CG1-CG 4.5Å; V760-R798 PolarHBondContact O-N 3.36Å; E762-R798 HydrophobicContact CB-CG 3.86Å; E762-R798 IonicContact OE2-NH1 2.77Å; R798-D800 WeakPolarHBondContact CA-OD1 3.41Å; R798-D800 WeakPolarHBondContact CB-OD1 3.46Å; R798-D800 IonicContact CZ-OD1 3.6Å; R798-D800 IonicContact CZ-OD2 3.5Å; R798-D800 IonicContact NE-OD1 3.53Å; R798-D800 PolarHBondContact NE-OD1 3.24Å; R798-D800 IonicContact NE-OD2 3.92Å; R798-D800 PolarHBondContact NE-OD2 3Å; R798-D800 IonicContact NH2-OD1 2.66Å; R798-D800 IonicContact NH2-OD2 2.66Å; R798-D800 PolarHBondContact NH2-OD2 2.89Å; R798-D800 PolarHBondContact O-N 2.97Å; R798-K801 HydrophobicContact CB-CB 4.13Å; R798-K801 HydrophobicContact CB-CD 4.47Å; R798-K801 HydrophobicContact CB-CG 4.35Å; R798-K801 PolarHBondContact O-N 3.5Å
799	D	94.7	Very high	93.1	Very high	144 Å²	144	60.2 Å²	60.2	77%	0.77	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-18.2	174.4	58.6	-30	0	0	0	112.6	K801	D799-K801 VanDerWaalsContact C-N 3.28Å; D799-K801 PolarHBondContact O-N 3.45Å
800	D	96.1	Very high	93.4	Very high	94 Å²	94	63.9 Å²	63.9	50%	0.503	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-6.9	172.9	65.1	-54	0	0	0	114.4	R798	R798-D800 WeakPolarHBondContact CA-OD1 3.41Å; R798-D800 WeakPolarHBondContact CB-OD1 3.46Å; R798-D800 IonicContact CZ-OD1 3.6Å; R798-D800 IonicContact CZ-OD2 3.5Å; R798-D800 IonicContact NE-OD1 3.53Å; R798-D800 PolarHBondContact NE-OD1 3.24Å; R798-D800 IonicContact NE-OD2 3.92Å; R798-D800 PolarHBondContact NE-OD2 3Å; R798-D800 IonicContact NH2-OD1 2.66Å; R798-D800 IonicContact NH2-OD2 2.66Å; R798-D800 PolarHBondContact NH2-OD2 2.89Å; R798-D800 PolarHBondContact O-N 2.97Å
801	K	96.7	Very high	94.1	Very high	59 Å²	59	66.4 Å²	66.4	26%	0.257	32%	0.317	S	S	.	.			trans	-122.9	139.2	-175.2	-72.6	-166.2	157.7	-157.8	0	113	D677 V760 R798 D799 D805	D677-K801 HydrophobicContact CB-CD 4Å; D677-K801 WeakPolarHBondContact OD2-CD 3.25Å; D677-K801 WeakPolarHBondContact OD2-CE 3.15Å; D677-K801 IonicContact OD2-NZ 2.59Å; D677-K801 PolarHBondContact OD2-NZ 2.96Å; V760-K801 HydrophobicContact CB-CB 4.3Å; V760-K801 HydrophobicContact CG1-CB 4.38Å; V760-K801 HydrophobicContact CG2-CB 4.26Å; R798-K801 HydrophobicContact CB-CB 4.13Å; R798-K801 HydrophobicContact CB-CD 4.47Å; R798-K801 HydrophobicContact CB-CG 4.35Å; R798-K801 PolarHBondContact O-N 3.5Å; D799-K801 VanDerWaalsContact C-N 3.28Å; D799-K801 PolarHBondContact O-N 3.45Å; K801-D805 HydrophobicContact CB-CB 4.23Å; K801-D805 HydrophobicContact CG-CB 4.38Å; K801-D805 PolarHBondContact NZ-O 3.45Å; K801-D805 VanDerWaalsContact NZ-O 3.13Å
802	K	97	Very high	95	Very high	138 Å²	138	60.8 Å²	60.8	60%	0.6	29%	0.292	S	S	*	.			trans	-81.2	158.2	167	-59.1	177.8	-178.4	171.9	0	110.3	V760 E804 D805	V760-K802 WeakPolarHBondContact CG2-O 3.47Å; K802-E804 WeakPolarHBondContact CB-OE2 3.28Å; K802-E804 PolarHBondContact O-N 3.09Å; K802-E804 VanDerWaalsContact O-N 3.14Å; K802-D805 VanDerWaalsContact CB-OD2 3.28Å; K802-D805 WeakPolarHBondContact CB-OD2 3.4Å; K802-D805 PolarHBondContact N-OD2 2.91Å; K802-D805 WeakPolarHBondContact O-CA 3.42Å; K802-D805 WeakPolarHBondContact O-CB 3.37Å; K802-D805 PolarHBondContact O-N 3.46Å
803	P	96.9	Very high	95.3	Very high	18 Å²	18	62.9 Å²	62.9	12%	0.117	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-50.9	-34.5	174.7	-28	35.7	0	0	0	114.2	V679 Y709 P757 D805 A806	V679-P803 HydrophobicContact CG1-CB 4.15Å; V679-P803 HydrophobicContact CG2-CB 4.09Å; V679-P803 VanDerWaalsContact CG2-O 3.27Å; V679-P803 WeakPolarHBondContact CG2-O 3.39Å; Y709-P803 HydrophobicContact CE1-CB 4.25Å; Y709-P803 WeakPolarHBondContact CE1-O 3.18Å; Y709-P803 WeakPolarHBondContact OH-CB 3.4Å; P757-P803 HydrophobicContact CB-CB 4.22Å; P757-P803 WeakPolarHBondContact O-CG 3.2Å; P803-D805 VanDerWaalsContact C-N 3.3Å; P803-A806 VanDerWaalsContact O-CB 3.24Å; P803-A806 WeakPolarHBondContact O-CB 3.21Å; P803-A806 PolarHBondContact O-N 3.25Å
804	E	96.4	Very high	95.7	Very high	92 Å²	92	61.2 Å²	61.2	43%	0.43	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-75.7	-16.7	178	-53.4	75.1	-158.2	0	0	113.1	Y702 Y709 K802 A806	Y702-E804 VanDerWaalsContact CD1-O 3.27Å; Y702-E804 WeakPolarHBondContact CD1-O 3.34Å; Y702-E804 HydrophobicContact CE1-CB 4.23Å; Y709-E804 PolarHBondContact OH-OE1 3.45Å; K802-E804 WeakPolarHBondContact CB-OE2 3.28Å; K802-E804 PolarHBondContact O-N 3.09Å; K802-E804 VanDerWaalsContact O-N 3.14Å; E804-A806 VanDerWaalsContact C-N 3.28Å
805	D	96.7	Very high	95.6	Very high	84 Å²	84	62.1 Å²	62.1	45%	0.449	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-89	7.3	175.1	-54.4	-45.8	0	0	0	112.8	K801 K802 P803	K801-D805 HydrophobicContact CB-CB 4.23Å; K801-D805 HydrophobicContact CG-CB 4.38Å; K801-D805 PolarHBondContact NZ-O 3.45Å; K801-D805 VanDerWaalsContact NZ-O 3.13Å; K802-D805 VanDerWaalsContact CB-OD2 3.28Å; K802-D805 WeakPolarHBondContact CB-OD2 3.4Å; K802-D805 PolarHBondContact N-OD2 2.91Å; K802-D805 WeakPolarHBondContact O-CA 3.42Å; K802-D805 WeakPolarHBondContact O-CB 3.37Å; K802-D805 PolarHBondContact O-N 3.46Å; P803-D805 VanDerWaalsContact C-N 3.3Å
806	A	96.9	Very high	95.6	Very high	3 Å²	3	59.8 Å²	59.8	3%	0.025	29%	0.285	C	S	.	.	S	Bend	trans	-63.2	158.6	174	0	0	0	0	0	111.3	D677 V679 P803 E804 T808	D677-A806 CarbonylContact O-C 3.55Å; D677-A806 WeakPolarHBondContact O-CA 3.45Å; D677-A806 WeakPolarHBondContact O-CB 3.35Å; V679-A806 HydrophobicContact CG2-CB 3.54Å; P803-A806 VanDerWaalsContact O-CB 3.24Å; P803-A806 WeakPolarHBondContact O-CB 3.21Å; P803-A806 PolarHBondContact O-N 3.25Å; E804-A806 VanDerWaalsContact C-N 3.28Å; A806-T808 PolarHBondContact O-N 3.16Å
807	T	97.8	Very high	95.3	Very high	11 Å²	11	56.8 Å²	56.8	7%	0.067	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-52.8	130.8	176.1	-58.8	0	0	0	0	109.9	L676 D677 C701 Y702 Q811 V812	L676-T807 HydrophobicContact CD2-CG2 4.15Å; L676-T807 HydrophobicContact CG-CG2 4.49Å; D677-T807 PolarHBondContact N-OG1 3.11Å; D677-T807 PolarHBondContact O-N 3.1Å; D677-T807 PolarHBondContact O-OG1 3.25Å; C701-T807 VanDerWaalsContact CB-O 3.23Å; C701-T807 WeakPolarHBondContact CB-O 3.29Å; Y702-T807 PolarHBondContact N-O 2.66Å; Y702-T807 VanDerWaalsContact N-O 3.1Å; T807-Q811 HydrophobicContact CG2-CB 3.7Å; T807-V812 HydrophobicContact CG2-CG2 4.01Å
808	T	97.6	Very high	94.8	Very high	31 Å²	31	58.7 Å²	58.7	19%	0.19	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-80.8	157.9	-174.3	69.6	0	0	0	0	112.3	Y702 P704 A806 Q810 Q811 V812	Y702-T808 CarbonylContact O-C 3.51Å; Y702-T808 WeakPolarHBondContact O-CA 3.38Å; P704-T808 HydrophobicContact CG-CG2 4.35Å; A806-T808 PolarHBondContact O-N 3.16Å; T808-Q810 PolarHBondContact O-N 3.17Å; T808-Q811 PolarHBondContact O-N 3.33Å; T808-Q811 VanDerWaalsContact O-N 3.14Å; T808-Q811 VanDerWaalsContact OG1-CG 3.32Å; T808-Q811 WeakPolarHBondContact OG1-CG 3.43Å; T808-Q811 PolarHBondContact OG1-N 3.26Å; T808-Q811 VanDerWaalsContact OG1-N 3.12Å; T808-V812 WeakPolarHBondContact O-CG2 3.39Å; T808-V812 PolarHBondContact O-N 2.93Å
809	A	95.7	Very high	94.1	Very high	2 Å²	2	58.1 Å²	58.1	2%	0.017	29%	0.285	C	S	.	.	H	α-helix	trans	-55.1	-37.8	172.4	0	0	0	0	0	112.1	Y702 D703 A777 V812 Y813	Y702-A809 PolarHBondContact O-N 3.37Å; D703-A809 HydrophobicContact CB-CB 4.17Å; A777-A809 WeakPolarHBondContact CB-O 3.14Å; A809-V812 PolarHBondContact O-N 3.37Å; A809-Y813 PolarHBondContact O-N 2.96Å
810	Q	95.5	Very high	93.3	Very high	89 Å²	89	54.8 Å²	54.8	42%	0.416	27%	0.265	S	S	.	.	H	α-helix	trans	-65.6	-45.1	175.6	-176.4	57.3	31.6	0	0	112.2	T808 V812 Y813 E814	T808-Q810 PolarHBondContact O-N 3.17Å; Q810-V812 VanDerWaalsContact C-N 3.33Å; Q810-V812 PolarHBondContact O-N 3.35Å; Q810-Y813 WeakPolarHBondContact O-CB 3.46Å; Q810-Y813 PolarHBondContact O-N 3Å; Q810-Y813 VanDerWaalsContact O-N 3.15Å; Q810-E814 PolarHBondContact NE2-OE1 3.25Å; Q810-E814 WeakPolarHBondContact O-CG 3.37Å; Q810-E814 PolarHBondContact O-N 2.95Å
811	Q	95.1	Very high	92.3	Very high	89 Å²	89	50.8 Å²	50.8	42%	0.416	24%	0.243	S	C	.	.	H	α-helix	trans	-61.4	-41.7	174.5	-74.2	171.7	-28.5	0	0	111.6	T807 T808 Y813 E814 L815	T807-Q811 HydrophobicContact CG2-CB 3.7Å; T808-Q811 PolarHBondContact O-N 3.33Å; T808-Q811 VanDerWaalsContact O-N 3.14Å; T808-Q811 VanDerWaalsContact OG1-CG 3.32Å; T808-Q811 WeakPolarHBondContact OG1-CG 3.43Å; T808-Q811 PolarHBondContact OG1-N 3.26Å; T808-Q811 VanDerWaalsContact OG1-N 3.12Å; Q811-Y813 VanDerWaalsContact C-N 3.26Å; Q811-Y813 PolarHBondContact O-N 3.09Å; Q811-E814 PolarHBondContact O-N 2.58Å; Q811-L815 VanDerWaalsContact O-CG 3.31Å; Q811-L815 WeakPolarHBondContact O-CG 3.27Å; Q811-L815 PolarHBondContact O-N 3.16Å
812	V	95.7	Very high	91.6	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-57.4	-41.7	174.7	171.4	0	0	0	0	111.2	L676 C701 I712 L768 A776 A777 I787 T807 T808 A809 Q810 Y816	L676-V812 HydrophobicContact CD2-CG2 3.87Å; C701-V812 HydrophobicContact CB-CG2 3.96Å; I712-V812 HydrophobicContact CD1-CB 4.41Å; I712-V812 HydrophobicContact CD1-CG1 3.7Å; I712-V812 HydrophobicContact CD1-CG2 3.7Å; L768-V812 HydrophobicContact CD2-CG1 3.96Å; A776-V812 HydrophobicContact CB-CG1 4.5Å; A777-V812 HydrophobicContact CB-CG1 4.45Å; I787-V812 HydrophobicContact CB-CG1 3.98Å; I787-V812 HydrophobicContact CD1-CG1 4.15Å; I787-V812 HydrophobicContact CG2-CG1 3.82Å; T807-V812 HydrophobicContact CG2-CG2 4.01Å; T808-V812 WeakPolarHBondContact O-CG2 3.39Å; T808-V812 PolarHBondContact O-N 2.93Å; A809-V812 PolarHBondContact O-N 3.37Å; Q810-V812 VanDerWaalsContact C-N 3.33Å; Q810-V812 PolarHBondContact O-N 3.35Å; V812-Y816 WeakPolarHBondContact O-CB 3.38Å; V812-Y816 PolarHBondContact O-N 2.95Å
813	Y	94.2	Very high	90.8	Very high	60 Å²	60	47 Å²	47	24%	0.235	23%	0.227	C	C	.	.	H	α-helix	trans	-66.3	-42	177.1	176.3	-111.8	0	0	0	112.5	L780 A781 I787 A809 Q810 Q811 Y816 Q817	L780-Y813 HydrophobicContact CB-CD1 4.4Å; L780-Y813 HydrophobicContact CB-CD2 3.73Å; L780-Y813 HydrophobicContact CB-CE2 4.1Å; L780-Y813 HydrophobicContact CB-CG 3.9Å; L780-Y813 HydrophobicContact CD1-CD1 4.45Å; L780-Y813 HydrophobicContact CD1-CG 4.11Å; A781-Y813 HydrophobicContact CB-CD2 3.95Å; A781-Y813 HydrophobicContact CB-CE2 3.9Å; I787-Y813 HydrophobicContact CD1-CD2 4.4Å; A809-Y813 PolarHBondContact O-N 2.96Å; Q810-Y813 WeakPolarHBondContact O-CB 3.46Å; Q810-Y813 PolarHBondContact O-N 3Å; Q810-Y813 VanDerWaalsContact O-N 3.15Å; Q811-Y813 VanDerWaalsContact C-N 3.26Å; Q811-Y813 PolarHBondContact O-N 3.09Å; Y813-Y816 HydrophobicContact CD2-CD1 4.46Å; Y813-Y816 WeakPolarHBondContact O-CB 3.18Å; Y813-Y816 PolarHBondContact O-N 3.35Å; Y813-Q817 HydrophobicContact CD2-CG 4.37Å; Y813-Q817 HydrophobicContact CE1-CG 4.06Å; Y813-Q817 HydrophobicContact CE2-CG 3.9Å; Y813-Q817 WeakPolarHBondContact O-CG 3.39Å; Y813-Q817 PolarHBondContact O-N 2.78Å; Y813-Q817 PolarHBondContact OH-NE2 3.47Å
814	E	92.9	Very high	89.9	Confident	94 Å²	94	49.1 Å²	49.1	44%	0.439	24%	0.237	S	C	.	.	H	α-helix	trans	-61.7	-45.7	175.7	-71.6	165.8	-167.4	0	0	111.9	Q810 Q811 Y816 Q817 N818	Q810-E814 PolarHBondContact NE2-OE1 3.25Å; Q810-E814 WeakPolarHBondContact O-CG 3.37Å; Q810-E814 PolarHBondContact O-N 2.95Å; Q811-E814 PolarHBondContact O-N 2.58Å; E814-Y816 VanDerWaalsContact C-N 3.29Å; E814-Y816 PolarHBondContact O-N 3.13Å; E814-Q817 PolarHBondContact O-N 2.92Å; E814-N818 WeakPolarHBondContact O-CB 3.39Å; E814-N818 VanDerWaalsContact O-CG 3.28Å; E814-N818 PolarHBondContact O-N 2.79Å; E814-N818 PolarHBondContact O-ND2 2.72Å
815	L	91.3	Very high	88.7	Confident	30 Å²	30	48.6 Å²	48.6	16%	0.157	24%	0.235	C	C	.	.	H	α-helix	trans	-58.6	-43.4	174.4	-66.7	-177.3	0	0	0	111.2	D674 L676 L768 Q811 Q817 N818 Q819	D674-L815 HydrophobicContact CB-CD1 3.75Å; D674-L815 HydrophobicContact CB-CD2 4Å; D674-L815 HydrophobicContact CB-CG 4.38Å; D674-L815 WeakPolarHBondContact OD1-CD2 3.47Å; L676-L815 HydrophobicContact CD1-CD1 4.4Å; L676-L815 HydrophobicContact CD2-CD1 4.13Å; L676-L815 HydrophobicContact CG-CD1 4.02Å; L768-L815 HydrophobicContact CD1-CB 4.05Å; L768-L815 HydrophobicContact CD2-CB 4.23Å; Q811-L815 VanDerWaalsContact O-CG 3.31Å; Q811-L815 WeakPolarHBondContact O-CG 3.27Å; Q811-L815 PolarHBondContact O-N 3.16Å; L815-Q817 PolarHBondContact O-N 2.69Å; L815-N818 PolarHBondContact O-N 2.93Å; L815-Q819 WeakPolarHBondContact O-CG 3.28Å
816	Y	90.4	Very high	87.3	Confident	22 Å²	22	48.7 Å²	48.7	9%	0.086	23%	0.233	C	C	.	.	H	α-helix	trans	-60.8	-43.9	176.4	170.3	-101.1	0	0	0	112.8	L768 I770 A781 I787 V812 Y813 E814 N818 Q819 I822	L768-Y816 HydrophobicContact CB-CD2 4.02Å; L768-Y816 WeakPolarHBondContact O-CD2 3.43Å; I770-Y816 WeakPolarHBondContact CD1-OH 3.42Å; I770-Y816 HydrophobicContact CG1-CE2 4.3Å; A781-Y816 HydrophobicContact CB-CD1 4Å; A781-Y816 HydrophobicContact CB-CE1 3.78Å; I787-Y816 HydrophobicContact CD1-CD1 4.09Å; I787-Y816 HydrophobicContact CD1-CD2 4.44Å; I787-Y816 HydrophobicContact CD1-CG 3.81Å; V812-Y816 WeakPolarHBondContact O-CB 3.38Å; V812-Y816 PolarHBondContact O-N 2.95Å; Y813-Y816 HydrophobicContact CD2-CD1 4.46Å; Y813-Y816 WeakPolarHBondContact O-CB 3.18Å; Y813-Y816 PolarHBondContact O-N 3.35Å; E814-Y816 VanDerWaalsContact C-N 3.29Å; E814-Y816 PolarHBondContact O-N 3.13Å; Y816-N818 VanDerWaalsContact C-N 3.29Å; Y816-N818 PolarHBondContact O-N 3.48Å; Y816-Q819 WeakPolarHBondContact O-CG 3.36Å; Y816-Q819 PolarHBondContact O-N 2.64Å; Y816-Q819 PolarHBondContact O-NE2 2.85Å; Y816-I822 HydrophobicContact CD2-CG1 4.41Å; Y816-I822 HydrophobicContact CE1-CD1 4.35Å; Y816-I822 HydrophobicContact CE1-CG1 4.38Å; Y816-I822 HydrophobicContact CE1-CG2 4.37Å; Y816-I822 HydrophobicContact CE2-CD1 3.77Å; Y816-I822 HydrophobicContact CE2-CG1 3.94Å; Y816-I822 WeakPolarHBondContact O-CG1 3.48Å; Y816-I822 VanDerWaalsContact OH-CD1 3.3Å; Y816-I822 WeakPolarHBondContact OH-CD1 3.45Å
817	Q	89.2	Confident	85.3	Confident	48 Å²	48	50.6 Å²	50.6	22%	0.224	25%	0.252	C	S	.	.	H	α-helix	trans	-66.9	-29.7	177.3	-72.8	-64	-18.1	0	0	112.9	Y813 E814 L815 Q819 H826	Y813-Q817 HydrophobicContact CD2-CG 4.37Å; Y813-Q817 HydrophobicContact CE1-CG 4.06Å; Y813-Q817 HydrophobicContact CE2-CG 3.9Å; Y813-Q817 WeakPolarHBondContact O-CG 3.39Å; Y813-Q817 PolarHBondContact O-N 2.78Å; Y813-Q817 PolarHBondContact OH-NE2 3.47Å; E814-Q817 PolarHBondContact O-N 2.92Å; L815-Q817 PolarHBondContact O-N 2.69Å; Q817-Q819 PolarHBondContact O-N 3.43Å; Q817-H826 PolarHBondContact OE1-NE2 3.08Å
818	N	87.5	Confident	82.8	Confident	92 Å²	92	54 Å²	54	49%	0.492	27%	0.27	S	S	.	.	H	α-helix	trans	-74.3	-11.9	-177.7	-79.1	-28.9	0	0	0	114.6	E814 L815 Y816 K823	E814-N818 WeakPolarHBondContact O-CB 3.39Å; E814-N818 VanDerWaalsContact O-CG 3.28Å; E814-N818 PolarHBondContact O-N 2.79Å; E814-N818 PolarHBondContact O-ND2 2.72Å; L815-N818 PolarHBondContact O-N 2.93Å; Y816-N818 VanDerWaalsContact C-N 3.29Å; Y816-N818 PolarHBondContact O-N 3.48Å; N818-K823 VanDerWaalsContact O-CE 3.22Å; N818-K823 WeakPolarHBondContact O-CE 3.15Å; N818-K823 PolarHBondContact O-NZ 3.4Å
819	Q	82	Confident	80	Confident	21 Å²	21	60.2 Å²	60.2	10%	0.098	30%	0.295	C	S	.	.	S	Bend	trans	-65.8	134.4	178.3	-58.2	-175.2	106.5	0	0	111.4	D767 L768 L815 Y816 Q817 Q821 I822 K823	D767-Q819 VanDerWaalsContact CA-OE1 3.28Å; D767-Q819 PolarHBondContact OD1-OE1 3.4Å; D767-Q819 PolarHBondContact OD2-OE1 3.07Å; L768-Q819 PolarHBondContact O-NE2 3.14Å; L815-Q819 WeakPolarHBondContact O-CG 3.28Å; Y816-Q819 WeakPolarHBondContact O-CG 3.36Å; Y816-Q819 PolarHBondContact O-N 2.64Å; Y816-Q819 PolarHBondContact O-NE2 2.85Å; Q817-Q819 PolarHBondContact O-N 3.43Å; Q819-Q821 PolarHBondContact O-N 2.94Å; Q819-I822 HydrophobicContact CB-CB 4.42Å; Q819-I822 HydrophobicContact CB-CG1 4.09Å; Q819-I822 WeakPolarHBondContact O-CA 3.39Å; Q819-I822 PolarHBondContact O-N 3.2Å; Q819-K823 PolarHBondContact O-N 3.4Å
820	E	78.6	Confident	77	Confident	74 Å²	74	68 Å²	68	35%	0.346	33%	0.331	S	S	.	.	H	α-helix	trans	-55.5	-39.2	179.2	-64.9	-175.9	156.3	0	0	112.1	I634 K635 I822 K823 N824	I634-E820 WeakPolarHBondContact CG2-OE2 3.15Å; I634-E820 VanDerWaalsContact O-OE2 3.13Å; K635-E820 VanDerWaalsContact CA-OE2 3.27Å; K635-E820 WeakPolarHBondContact CA-OE2 3.46Å; K635-E820 PolarHBondContact N-OE2 3.49Å; K635-E820 VanDerWaalsContact N-OE2 3.15Å; E820-I822 PolarHBondContact O-N 3.33Å; E820-K823 PolarHBondContact O-N 2.9Å; E820-N824 VanDerWaalsContact O-CB 3.31Å; E820-N824 WeakPolarHBondContact O-CB 3.49Å; E820-N824 PolarHBondContact O-N 2.91Å; E820-N824 PolarHBondContact O-ND2 3.49Å
821	Q	74.6	Confident	74.1	Confident	10 Å²	10	69.3 Å²	69.3	5%	0.047	35%	0.345	C	S	.	.	H	α-helix	trans	-58.8	-30	175.9	-57.1	-171	-14.7	0	0	113.6	N637 Q819 Q825	N637-Q821 HydrophobicContact CB-CG 4.35Å; N637-Q821 VanDerWaalsContact OD1-CA 3.29Å; N637-Q821 WeakPolarHBondContact OD1-CA 3.13Å; Q819-Q821 PolarHBondContact O-N 2.94Å; Q821-Q825 WeakPolarHBondContact O-CG 3.43Å; Q821-Q825 PolarHBondContact O-NE2 3.05Å
822	I	81	Confident	71.1	Confident	10 Å²	10	67.8 Å²	67.8	5%	0.051	35%	0.353	C	S	.	.	H	α-helix	trans	-88.1	-41.6	179.2	-59.6	-53.9	0	0	0	110.3	Y816 Q819 E820 N824 Q825 H826	Y816-I822 HydrophobicContact CD2-CG1 4.41Å; Y816-I822 HydrophobicContact CE1-CD1 4.35Å; Y816-I822 HydrophobicContact CE1-CG1 4.38Å; Y816-I822 HydrophobicContact CE1-CG2 4.37Å; Y816-I822 HydrophobicContact CE2-CD1 3.77Å; Y816-I822 HydrophobicContact CE2-CG1 3.94Å; Y816-I822 WeakPolarHBondContact O-CG1 3.48Å; Y816-I822 VanDerWaalsContact OH-CD1 3.3Å; Y816-I822 WeakPolarHBondContact OH-CD1 3.45Å; Q819-I822 HydrophobicContact CB-CB 4.42Å; Q819-I822 HydrophobicContact CB-CG1 4.09Å; Q819-I822 WeakPolarHBondContact O-CA 3.39Å; Q819-I822 PolarHBondContact O-N 3.2Å; E820-I822 PolarHBondContact O-N 3.33Å; I822-N824 VanDerWaalsContact C-N 3.31Å; I822-N824 PolarHBondContact O-N 3.43Å; I822-Q825 WeakPolarHBondContact O-CB 3.46Å; I822-Q825 PolarHBondContact O-N 2.92Å; I822-Q825 VanDerWaalsContact O-N 3.07Å; I822-H826 PolarHBondContact O-CD2 2.58Å; I822-H826 VanDerWaalsContact O-CD2 3.27Å; I822-H826 PolarHBondContact O-N 2.97Å; I822-H826 VanDerWaalsContact O-N 3.1Å
823	K	81.8	Confident	68	Low	108 Å²	108	74.9 Å²	74.9	47%	0.47	39%	0.391	S	S	.	.	H	α-helix	trans	-56.1	-44.9	172.4	-69.7	175.3	174.4	158.8	0	112.1	N818 Q819 E820 Q825 H826 G827	N818-K823 VanDerWaalsContact O-CE 3.22Å; N818-K823 WeakPolarHBondContact O-CE 3.15Å; N818-K823 PolarHBondContact O-NZ 3.4Å; Q819-K823 PolarHBondContact O-N 3.4Å; E820-K823 PolarHBondContact O-N 2.9Å; K823-Q825 PolarHBondContact O-N 3.41Å; K823-H826 PolarHBondContact O-N 3.01Å; K823-H826 VanDerWaalsContact O-N 3.15Å; K823-G827 PolarHBondContact O-N 2.8Å
824	N	77.2	Confident	64.8	Low	61 Å²	61	78.9 Å²	78.9	33%	0.326	42%	0.416	S	S	.	.	H	α-helix	trans	-61.5	-30.6	177.4	-72.2	-17.4	0	0	0	112.6	K635 N637 E820 I822	K635-N824 PolarHBondContact O-ND2 2.92Å; N637-N824 PolarHBondContact OD1-ND2 3Å; E820-N824 VanDerWaalsContact O-CB 3.31Å; E820-N824 WeakPolarHBondContact O-CB 3.49Å; E820-N824 PolarHBondContact O-N 2.91Å; E820-N824 PolarHBondContact O-ND2 3.49Å; I822-N824 VanDerWaalsContact C-N 3.31Å; I822-N824 PolarHBondContact O-N 3.43Å
825	Q	71.8	Confident	61.9	Low	82 Å²	82	82.2 Å²	82.2	38%	0.383	44%	0.437	S	S	.	.	H	α-helix	trans	-76.2	-36.2	174.5	-73.2	170.1	53.9	0	0	113	Q821 I822 K823	Q821-Q825 WeakPolarHBondContact O-CG 3.43Å; Q821-Q825 PolarHBondContact O-NE2 3.05Å; I822-Q825 WeakPolarHBondContact O-CB 3.46Å; I822-Q825 PolarHBondContact O-N 2.92Å; I822-Q825 VanDerWaalsContact O-N 3.07Å; K823-Q825 PolarHBondContact O-N 3.41Å
826	H	66	Low	59.2	Low	86 Å²	86	88.6 Å²	88.6	40%	0.398	47%	0.471	S	S	.	.	H	α-helix	trans	-80.2	-31.4	-177.6	-75.9	-67.2	0	0	0	113.6	Q817 I822 K823 N828 K829	Q817-H826 PolarHBondContact OE1-NE2 3.08Å; I822-H826 PolarHBondContact O-CD2 2.58Å; I822-H826 VanDerWaalsContact O-CD2 3.27Å; I822-H826 PolarHBondContact O-N 2.97Å; I822-H826 VanDerWaalsContact O-N 3.1Å; K823-H826 PolarHBondContact O-N 3.01Å; K823-H826 VanDerWaalsContact O-N 3.15Å; H826-N828 PolarHBondContact O-N 2.89Å; H826-N828 VanDerWaalsContact O-N 3.09Å; H826-K829 PolarHBondContact O-N 3.42Å
827	G	54.7	Low	56.6	Low	43 Å²	43	96.4 Å²	96.4	44%	0.443	51%	0.509	S	S	.	.	G	3₁₀ helix	trans	-54.4	-28.9	177.7	0	0	0	0	0	114	K823	K823-G827 PolarHBondContact O-N 2.8Å
828	N	45.8	Very low	54	Low	81 Å²	81	102.1 Å²	102.1	43%	0.433	54%	0.541	S	S	.	.	G	3₁₀ helix	trans	-84	-11.5	179.7	-75.1	-9.2	0	0	0	115.1	A548 H826 T831	A548-N828 WeakPolarHBondContact CB-ND2 3.36Å; H826-N828 PolarHBondContact O-N 2.89Å; H826-N828 VanDerWaalsContact O-N 3.09Å; N828-T831 PolarHBondContact O-OG1 2.93Å
829	K	39.7	Very low	51.3	Low	163 Å²	163	106.5 Å²	106.5	71%	0.709	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-79.4	-22.2	173.8	-78.2	-173	177.6	179.7	0	112.6	H826	H826-K829 PolarHBondContact O-N 3.42Å
830	Q	33.1	Very low	49.7	Very low	166 Å²	166	120.4 Å²	120.4	78%	0.776	61%	0.614	S	S	*	*	S	Bend	trans	-86.5	-16.6	179.3	-72.6	-173.2	-3.1	0	0	113.6
831	T	34.3	Very low	48.2	Very low	116 Å²	116	122.8 Å²	122.8	71%	0.712	63%	0.628	S	S	*	*	S	Bend	trans	-90.5	-1.6	176	50	0	0	0	0	113.9	N828	N828-T831 PolarHBondContact O-OG1 2.93Å
832	G	32.1	Very low	46.8	Very low	57 Å²	57	128.7 Å²	128.7	59%	0.588	66%	0.658	S	S	*	*	S	Bend	trans	-100.6	0.4	-175.4	0	0	0	0	0	116.7
833	N	29	Very low	44.9	Very low	148 Å²	148	135.3 Å²	135.3	79%	0.791	69%	0.692	S	S	*	*	S	Bend	trans	-146.7	27.8	-166.7	-112.1	24.5	0	0	0	116.1
834	N	27.7	Very low	42.8	Very low	145 Å²	145	136.9 Å²	136.9	78%	0.775	71%	0.705	S	S	*	*			trans	-120.3	16.7	179.4	-86.5	13.9	0	0	0	115.6
835	D	31.8	Very low	40.6	Very low	163 Å²	163	141.6 Å²	141.6	87%	0.872	73%	0.729	S	S	*	*	S	Bend	trans	-100.1	6.7	-179.5	-78	-2.6	0	0	0	115.5
836	D	36.2	Very low	38.5	Very low	164 Å²	164	145.6 Å²	145.6	88%	0.877	75%	0.752	S	S	*	*	S	Bend	trans	-125.8	17.3	-175	-80.2	-22.6	0	0	0	116.7
837	E	34.3	Very low	36.6	Very low	187 Å²	187	149.9 Å²	149.9	87%	0.874	78%	0.777	S	S	*	*	S	Bend	trans	-119	5.7	-179.8	-82	-165.1	174.4	0	0	118.8
838	D	35.2	Very low	35.2	Very low	168 Å²	168	158.1 Å²	158.1	90%	0.898	80%	0.803	S	S	*	*	S	Bend	trans	-122.3	46.9	177.3	-75.7	-27.9	0	0	0	114.9
839	M	30.7	Very low	34.3	Very low	183 Å²	183	164.5 Å²	164.5	90%	0.901	83%	0.834	S	S	*	*			trans	-133.6	79	165.2	-87.3	-78.2	-129.6	0	0	111.2
840	Y	47.9	Very low	33.8	Very low	314 Å²	314	164.6 Å²	164.6	100%	1.231	85%	0.845	S	S	*	*			trans	-132.8	0	153.8	-95.5	-74.2	0	0	0	110.8

Retrieved 840 of 840 residues in 743.5 ms (Link to these results)

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