A0A087Y586_POEFO Loading...

NOP2 nucleolar protein homolog (yeast)

AlphaFold DB , UniProt , Accession A0A087Y586, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 702 aa.

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	36.5	Very low	47.9	Very low	246 Å²	246	163.3 Å²	163.3	100%	1.212	86%	0.857	S	S	*	*				0	92.2	0	-76.5	-97.9	-94.1	0	0	108.9
2	G	38.6	Very low	47.5	Very low	81 Å²	81	166.8 Å²	166.8	84%	0.835	86%	0.86	S	S	*	*	P	Polyproline II helix	trans	-79.8	126.4	-177.9	0	0	0	0	0	111.5
3	R	47.5	Very low	47.1	Very low	245 Å²	245	172.7 Å²	172.7	93%	0.925	86%	0.864	S	S	*	*	P	Polyproline II helix	trans	-85	117.4	167.8	-71.5	-176.4	-175.2	175	1.9	108.6
4	K	46.3	Very low	47.2	Very low	210 Å²	210	164.5 Å²	164.5	91%	0.913	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-67.4	128.7	171.3	-69.4	178.1	177.6	177.5	0	108.6
5	L	44.5	Very low	46.9	Very low	169 Å²	169	162.7 Å²	162.7	89%	0.885	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-87.5	127.9	172.8	-99.3	141.9	0	0	0	109.2
6	D	54.3	Low	46.4	Very low	132 Å²	132	156.7 Å²	156.7	71%	0.706	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-66.2	128.2	177.7	-83	-42.5	0	0	0	112.1	T8	D6-T8 VanDerWaalsContact C-N 3.25Å; D6-T8 PolarHBondContact O-N 3.1Å
7	P	55.3	Low	46.3	Very low	127 Å²	127	159.9 Å²	159.9	83%	0.825	84%	0.843	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	2.7	-173.6	29.4	-33.5	0	0	0	115
8	T	57.2	Low	46.2	Very low	127 Å²	127	162.2 Å²	162.2	78%	0.779	85%	0.845	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.8	-8.6	-176	49.9	0	0	0	0	114.2	D6 K10	D6-T8 VanDerWaalsContact C-N 3.25Å; D6-T8 PolarHBondContact O-N 3.1Å; T8-K10 PolarHBondContact O-N 3.16Å
9	N	47.8	Very low	46	Very low	138 Å²	138	159.7 Å²	159.7	74%	0.738	84%	0.842	S	S	*	*			trans	-94.4	85.8	-175.4	-146.1	-9.9	0	0	0	112	V11	N9-V11 PolarHBondContact O-N 3.1Å
10	K	47.4	Very low	45.9	Very low	198 Å²	198	163.8 Å²	163.8	86%	0.861	85%	0.846	S	S	*	*			trans	-79.4	96.4	173.5	-80.9	-178	178.8	174.1	0	110.8	T8 K12	T8-K10 PolarHBondContact O-N 3.16Å; K10-K12 PolarHBondContact O-N 3.31Å
11	V	51.3	Low	45.8	Very low	123 Å²	123	165.2 Å²	165.2	75%	0.745	85%	0.846	S	S	*	*			trans	-67.8	121.8	166.4	-177.8	0	0	0	0	109.4	N9 R13	N9-V11 PolarHBondContact O-N 3.1Å; V11-R13 PolarHBondContact O-N 3.31Å; V11-R13 VanDerWaalsContact O-N 3.14Å
12	K	43.9	Very low	46.5	Very low	206 Å²	206	162.6 Å²	162.6	90%	0.896	83%	0.831	S	S	*	*			trans	-65.6	108.9	175.9	-73.2	-179.4	178.8	176.4	0	109.8	K10	K10-K12 PolarHBondContact O-N 3.31Å
13	R	41.4	Very low	46.7	Very low	243 Å²	243	166.6 Å²	166.6	92%	0.917	83%	0.828	S	S	*	*			trans	-72.2	123.5	168.8	-72.7	-179.2	169.6	-174.4	-3.6	109.1	V11	V11-R13 PolarHBondContact O-N 3.31Å; V11-R13 VanDerWaalsContact O-N 3.14Å
14	G	48.6	Very low	46.7	Very low	58 Å²	58	157.3 Å²	157.3	60%	0.598	81%	0.808	S	S	*	*			trans	-61.5	166.2	172.6	0	0	0	0	0	112.6	G16	G14-G16 PolarHBondContact O-N 3.26Å
15	P	42.6	Very low	46.6	Very low	137 Å²	137	151 Å²	151	89%	0.89	80%	0.795	S	S	*	*			trans	-62.8	109.7	-176.2	24.9	-31.1	0	0	0	109.8	K17	P15-K17 PolarHBondContact O-N 3.03Å
16	G	39.1	Very low	46.8	Very low	67 Å²	67	151 Å²	151	69%	0.691	79%	0.791	S	S	*	*			trans	-57.4	130.3	177.4	0	0	0	0	0	110.7	G14 K18	G14-G16 PolarHBondContact O-N 3.26Å; G16-K18 PolarHBondContact O-N 3.18Å
17	K	44.9	Very low	46.7	Very low	211 Å²	211	148.6 Å²	148.6	92%	0.917	78%	0.78	S	S	*	*			trans	-56.7	107.7	167.8	-75.5	-179.6	177.3	177.6	0	107.8	P15 S19	P15-K17 PolarHBondContact O-N 3.03Å; K17-S19 PolarHBondContact O-N 2.92Å; K17-S19 VanDerWaalsContact O-N 3.14Å
18	K	43.6	Very low	46.4	Very low	202 Å²	202	149.3 Å²	149.3	88%	0.878	77%	0.772	S	S	*	*			trans	-61.5	114.6	170	-69.5	-179.8	179.7	175.8	0	107.2	G16 R20	G16-K18 PolarHBondContact O-N 3.18Å; K18-R20 PolarHBondContact O-N 2.88Å
19	S	44	Very low	46	Very low	114 Å²	114	148.5 Å²	148.5	80%	0.797	76%	0.763	S	S	*	*			trans	-56.9	121.2	167.8	41.3	0	0	0	0	108.4	K17 K21	K17-S19 PolarHBondContact O-N 2.92Å; K17-S19 VanDerWaalsContact O-N 3.14Å; S19-K21 PolarHBondContact O-N 3.26Å; S19-K21 VanDerWaalsContact O-N 3.09Å
20	R	43	Very low	46.1	Very low	241 Å²	241	145.1 Å²	145.1	91%	0.909	75%	0.754	S	S	*	*			trans	-61.7	111.2	174.3	-173.3	174	160.4	179.5	-6.1	106.9	K18 Q22	K18-R20 PolarHBondContact O-N 2.88Å; R20-Q22 PolarHBondContact O-N 3.39Å; R20-Q22 VanDerWaalsContact O-N 3.08Å
21	K	44.8	Very low	46.3	Very low	195 Å²	195	142.3 Å²	142.3	85%	0.848	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-52.2	117.9	172.7	-87.9	-178.9	173.8	178.4	0	107.9	S19 Q23	S19-K21 PolarHBondContact O-N 3.26Å; S19-K21 VanDerWaalsContact O-N 3.09Å; K21-Q23 PolarHBondContact O-N 2.94Å
22	Q	49.4	Very low	46.1	Very low	191 Å²	191	144.9 Å²	144.9	89%	0.893	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-57.6	129.3	165.9	-84.4	176.5	-35.4	0	0	107.9	R20 G24	R20-Q22 PolarHBondContact O-N 3.39Å; R20-Q22 VanDerWaalsContact O-N 3.08Å; Q22-G24 PolarHBondContact O-N 3.04Å
23	Q	44	Very low	46.3	Very low	165 Å²	165	141.2 Å²	141.2	77%	0.771	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-68.4	130.4	173.1	-70.1	-179.1	-16.7	0	0	107.7	K21	K21-Q23 PolarHBondContact O-N 2.94Å
24	G	47.4	Very low	46.4	Very low	49 Å²	49	136.5 Å²	136.5	51%	0.505	73%	0.732	S	S	.	*	P	Polyproline II helix	trans	-67.5	151.9	178.5	0	0	0	0	0	111.5	Q22 E26 V27	Q22-G24 PolarHBondContact O-N 3.04Å; G24-E26 PolarHBondContact O-N 2.82Å; G24-V27 PolarHBondContact O-N 2.82Å; G24-V27 VanDerWaalsContact O-N 3.14Å
25	A	43.3	Very low	46.1	Very low	78 Å²	78	140.3 Å²	140.3	65%	0.645	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.2	-8.7	-177.7	0	0	0	0	0	115.7
26	E	50.5	Low	46.2	Very low	170 Å²	170	136.9 Å²	136.9	79%	0.794	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.2	-21.8	177.4	-60.7	-175.2	170.3	0	0	113.7	G24	G24-E26 PolarHBondContact O-N 2.82Å
27	V	50.5	Low	46.1	Very low	81 Å²	81	142.9 Å²	142.9	49%	0.491	75%	0.745	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.5	-33.9	179.6	-178.3	0	0	0	0	111.3	G24 A30	G24-V27 PolarHBondContact O-N 2.82Å; G24-V27 VanDerWaalsContact O-N 3.14Å; V27-A30 PolarHBondContact O-N 3.28Å
28	E	50.6	Low	46.1	Very low	141 Å²	141	141.3 Å²	141.3	66%	0.659	75%	0.747	S	S	*	*	G	3₁₀ helix	trans	-75.4	-28.4	178	-66.4	-171.3	166.1	0	0	112.4	A30 N31 F32	E28-A30 PolarHBondContact O-N 2.96Å; E28-N31 PolarHBondContact O-N 2.7Å; E28-F32 WeakPolarHBondContact O-CD2 3.4Å
29	L	47.6	Very low	46.2	Very low	110 Å²	110	136.6 Å²	136.6	58%	0.576	75%	0.746	S	S	*	*	G	3₁₀ helix	trans	-63.3	-24.6	174.7	-85.8	157.9	0	0	0	113.5	N31 F32	L29-N31 VanDerWaalsContact C-N 3.28Å; L29-N31 PolarHBondContact O-N 3.42Å; L29-F32 PolarHBondContact O-N 2.88Å
30	A	50.1	Low	46.1	Very low	68 Å²	68	134.3 Å²	134.3	56%	0.562	74%	0.74	S	S	*	*	G	3₁₀ helix	trans	-73.7	-19.8	177.9	0	0	0	0	0	113.2	V27 E28 F32	V27-A30 PolarHBondContact O-N 3.28Å; E28-A30 PolarHBondContact O-N 2.96Å; A30-F32 VanDerWaalsContact C-N 3.32Å
31	N	52.2	Low	46.1	Very low	139 Å²	139	129.2 Å²	129.2	74%	0.743	74%	0.738	S	S	*	*	G	3₁₀ helix	trans	-82.2	-11.5	176.8	-66.4	-18.1	0	0	0	112.9	E28 L29	E28-N31 PolarHBondContact O-N 2.7Å; L29-N31 VanDerWaalsContact C-N 3.28Å; L29-N31 PolarHBondContact O-N 3.42Å
32	F	47.4	Very low	46.3	Very low	177 Å²	177	129.4 Å²	129.4	78%	0.776	74%	0.739	S	S	*	*	G	3₁₀ helix	trans	-103.9	10.6	-178.4	-75.4	-78.8	0	0	0	113.8	E28 L29 A30	E28-F32 WeakPolarHBondContact O-CD2 3.4Å; L29-F32 PolarHBondContact O-N 2.88Å; A30-F32 VanDerWaalsContact C-N 3.32Å
33	I	46.7	Very low	46.4	Very low	129 Å²	129	131.1 Å²	131.1	66%	0.662	74%	0.737	S	S	*	*			trans	-106.9	96.9	177.8	-57.3	172.8	0	0	0	108.5
34	D	44.6	Very low	47.2	Very low	144 Å²	144	129.2 Å²	129.2	77%	0.77	73%	0.732	S	S	*	*			trans	-68.8	139.8	168.2	-96	-42.4	0	0	0	110.7	G36	D34-G36 PolarHBondContact O-N 2.86Å
35	P	41.2	Very low	48.2	Very low	138 Å²	138	130.4 Å²	130.4	90%	0.896	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	24.3	-178.6	25.9	-23.6	0	0	0	114.2
36	G	45.5	Very low	48.8	Very low	64 Å²	64	131.2 Å²	131.2	66%	0.66	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126	-9.8	-160.8	0	0	0	0	0	119.6	D34	D34-G36 PolarHBondContact O-N 2.86Å
37	E	36.5	Very low	49.1	Very low	193 Å²	193	132.8 Å²	132.8	90%	0.902	73%	0.732	S	S	*	*			trans	-132.9	96.1	-177.1	-74.5	-167	154.5	0	0	113.3	A39	E37-A39 PolarHBondContact O-N 3.1Å
38	D	45.3	Very low	49.6	Very low	179 Å²	179	130.9 Å²	130.9	96%	0.957	73%	0.725	S	S	*	*			trans	-87.7	82.7	170.6	-100.1	-35.1	0	0	0	110.4
39	A	46.4	Very low	50.2	Low	103 Å²	103	130.7 Å²	130.7	85%	0.851	72%	0.718	S	S	*	*			trans	-157.8	81.4	164.3	0	0	0	0	0	113.3	E37	E37-A39 PolarHBondContact O-N 3.1Å
40	G	40.7	Very low	50.9	Low	65 Å²	65	133.3 Å²	133.3	67%	0.67	73%	0.725	S	S	*	*	S	Bend	trans	-178.9	152.5	170.1	0	0	0	0	0	116	K42	G40-K42 PolarHBondContact O-N 3.44Å; G40-K42 VanDerWaalsContact O-N 3.08Å
41	P	43	Very low	51.4	Low	135 Å²	135	139.5 Å²	139.5	88%	0.877	73%	0.734	S	S	*	*	S	Bend	trans	-93.9	56.5	-152.6	39	-36.6	0	0	0	113.7
42	K	49.3	Very low	51.7	Low	198 Å²	198	135.7 Å²	135.7	86%	0.861	72%	0.722	S	S	*	*			trans	-144.8	86.6	169.2	-71.9	-172.7	-177.7	170.6	0	111.4	G40 L44	G40-K42 PolarHBondContact O-N 3.44Å; G40-K42 VanDerWaalsContact O-N 3.08Å; K42-L44 PolarHBondContact O-N 3Å
43	R	52.7	Low	52.4	Low	227 Å²	227	130.1 Å²	130.1	86%	0.857	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-76.3	120.1	174.7	-69.3	179.9	110.6	-168.7	4.3	110.8
44	L	60.7	Low	53	Low	125 Å²	125	131 Å²	131	65%	0.654	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-64.7	137.5	161.2	-71.8	168.9	0	0	0	110.5	K42 R49	K42-L44 PolarHBondContact O-N 3Å; L44-R49 PolarHBondContact O-NE 3Å
45	S	68.4	Low	53.3	Low	75 Å²	75	133.6 Å²	133.6	52%	0.524	71%	0.706	S	S	.	*	P	Polyproline II helix	trans	-62.1	151.1	-177.3	73.6	0	0	0	0	112.8	R47 A48 R49	S45-R47 PolarHBondContact O-N 3.07Å; S45-A48 WeakPolarHBondContact O-CB 3.28Å; S45-A48 PolarHBondContact O-N 3.12Å; S45-R49 PolarHBondContact O-N 3.5Å
46	S	55.6	Low	53.9	Low	95 Å²	95	131 Å²	131	66%	0.664	69%	0.688	S	S	*	*	H	α-helix	trans	-55.4	-27.8	-178.1	62.4	0	0	0	0	113.6	K50	S46-K50 PolarHBondContact O-N 3.28Å
47	R	57	Low	53.8	Low	202 Å²	202	135 Å²	135	76%	0.762	69%	0.689	S	S	*	*	H	α-helix	trans	-73.9	-33.6	177.3	-126.6	175.4	-178.6	178.8	0.4	112.9	S45 R51	S45-R47 PolarHBondContact O-N 3.07Å; R47-R51 PolarHBondContact O-N 2.9Å
48	A	59.8	Low	54.1	Low	41 Å²	41	132.7 Å²	132.7	34%	0.339	68%	0.683	S	S	.	*	H	α-helix	trans	-71.5	-39.8	176	0	0	0	0	0	111.2	S45 R51 A52	S45-A48 WeakPolarHBondContact O-CB 3.28Å; S45-A48 PolarHBondContact O-N 3.12Å; A48-R51 PolarHBondContact O-N 3.48Å; A48-A52 PolarHBondContact O-N 2.8Å
49	R	63	Low	54.1	Low	138 Å²	138	131.2 Å²	131.2	52%	0.521	68%	0.675	S	S	.	*	H	α-helix	trans	-62.1	-44.2	175.2	-62.5	-176.9	-164.2	-154.1	-7	112.4	L44 S45 R51 A52 A53	L44-R49 PolarHBondContact O-NE 3Å; S45-R49 PolarHBondContact O-N 3.5Å; R49-R51 VanDerWaalsContact C-N 3.3Å; R49-R51 PolarHBondContact O-N 3.08Å; R49-A52 PolarHBondContact O-N 2.85Å; R49-A53 PolarHBondContact O-N 3.33Å
50	K	62.6	Low	53.8	Low	165 Å²	165	134.5 Å²	134.5	72%	0.717	67%	0.67	S	S	*	*	H	α-helix	trans	-64.2	-31.1	176.3	-80.7	-175.2	175.9	-176.9	0	113.2	S46 K54	S46-K50 PolarHBondContact O-N 3.28Å; K50-K54 WeakPolarHBondContact O-CB 3.27Å; K50-K54 PolarHBondContact O-N 3.18Å
51	R	61	Low	53.4	Low	197 Å²	197	140.8 Å²	140.8	74%	0.743	68%	0.678	S	S	*	*	H	α-helix	trans	-75.3	-36.4	175.6	-85.5	-175.5	-179.8	171.7	-0.2	113	R47 A48 R49 R55	R47-R51 PolarHBondContact O-N 2.9Å; A48-R51 PolarHBondContact O-N 3.48Å; R49-R51 VanDerWaalsContact C-N 3.3Å; R49-R51 PolarHBondContact O-N 3.08Å; R51-R55 PolarHBondContact O-N 3.09Å
52	A	59.1	Low	53.3	Low	60 Å²	60	139.6 Å²	139.6	50%	0.496	67%	0.671	S	S	.	*	H	α-helix	trans	-66.8	-48.2	175.8	0	0	0	0	0	111.1	A48 R49 K54 R55 V56	A48-A52 PolarHBondContact O-N 2.8Å; R49-A52 PolarHBondContact O-N 2.85Å; A52-K54 PolarHBondContact O-N 3.04Å; A52-R55 PolarHBondContact O-N 3.34Å; A52-R55 VanDerWaalsContact O-N 3.16Å; A52-V56 WeakPolarHBondContact O-CG2 3.23Å; A52-V56 PolarHBondContact O-N 3.48Å
53	A	61.2	Low	52.5	Low	59 Å²	59	139.7 Å²	139.7	49%	0.488	67%	0.674	S	S	.	*	H	α-helix	trans	-59.4	-43.5	177.8	0	0	0	0	0	112.7	R49 R55 V56 E57	R49-A53 PolarHBondContact O-N 3.33Å; A53-R55 VanDerWaalsContact C-N 3.26Å; A53-R55 PolarHBondContact O-N 3.19Å; A53-V56 PolarHBondContact O-N 2.9Å; A53-E57 PolarHBondContact O-N 2.97Å; A53-E57 VanDerWaalsContact O-N 3.17Å
54	K	58.8	Low	51.6	Low	147 Å²	147	136 Å²	136	64%	0.639	67%	0.671	S	S	*	*	H	α-helix	trans	-68.2	-22.1	179.5	-158.4	172.8	-172.7	177.1	0	113.7	K50 A52	K50-K54 WeakPolarHBondContact O-CB 3.27Å; K50-K54 PolarHBondContact O-N 3.18Å; A52-K54 PolarHBondContact O-N 3.04Å
55	R	52.2	Low	50.3	Low	200 Å²	200	136.9 Å²	136.9	76%	0.755	68%	0.682	S	S	*	*	H	α-helix	trans	-84.2	-27.3	174.8	-97.6	-179.7	174.1	167.9	-2.7	112.9	R51 A52 A53	R51-R55 PolarHBondContact O-N 3.09Å; A52-R55 PolarHBondContact O-N 3.34Å; A52-R55 VanDerWaalsContact O-N 3.16Å; A53-R55 VanDerWaalsContact C-N 3.26Å; A53-R55 PolarHBondContact O-N 3.19Å
56	V	53.6	Low	48.5	Very low	84 Å²	84	137.9 Å²	137.9	51%	0.509	70%	0.695	S	S	.	*	H	α-helix	trans	-74.3	-36.6	174.2	175.4	0	0	0	0	111.3	A52 A53 N58 L59	A52-V56 WeakPolarHBondContact O-CG2 3.23Å; A52-V56 PolarHBondContact O-N 3.48Å; A53-V56 PolarHBondContact O-N 2.9Å; V56-N58 VanDerWaalsContact C-N 3.32Å; V56-N58 PolarHBondContact O-N 3.41Å; V56-L59 PolarHBondContact O-N 3.27Å
57	E	43.7	Very low	47.5	Very low	147 Å²	147	142.7 Å²	142.7	69%	0.687	71%	0.707	S	S	*	*	H	α-helix	trans	-62.7	-36.2	172.3	-83.1	-176.5	145	0	0	112.9	A53 L59 K60	A53-E57 PolarHBondContact O-N 2.97Å; A53-E57 VanDerWaalsContact O-N 3.17Å; E57-L59 PolarHBondContact O-N 2.89Å; E57-K60 PolarHBondContact O-N 3.48Å
58	N	41.3	Very low	46.3	Very low	144 Å²	144	143.2 Å²	143.2	77%	0.77	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	-12.7	178.9	-92.9	7.6	0	0	0	114.2	V56	V56-N58 VanDerWaalsContact C-N 3.32Å; V56-N58 PolarHBondContact O-N 3.41Å
59	L	46.3	Very low	45.1	Very low	149 Å²	149	150.4 Å²	150.4	78%	0.78	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	-5.8	178.7	-79.7	159	0	0	0	113.2	V56 E57	V56-L59 PolarHBondContact O-N 3.27Å; E57-L59 PolarHBondContact O-N 2.89Å
60	K	40.3	Very low	43.8	Very low	172 Å²	172	149.5 Å²	149.5	75%	0.748	75%	0.753	S	S	*	*			trans	-111.8	42.6	-174.2	-74.9	-171.1	173.9	-175.8	0	114.6	E57	E57-K60 PolarHBondContact O-N 3.48Å
61	K	31.9	Very low	42.4	Very low	197 Å²	197	151.6 Å²	151.6	86%	0.857	76%	0.762	S	S	*	*			trans	-107.4	124.4	163.4	-80.4	-171.1	175.9	-174.4	0	110.1
62	P	41.2	Very low	41	Very low	110 Å²	110	154.3 Å²	154.3	71%	0.714	77%	0.772	S	S	*	*			trans	-91.7	149.2	-176.2	35.9	-31.3	0	0	0	111.9
63	E	32.6	Very low	39.8	Very low	200 Å²	200	155.1 Å²	155.1	94%	0.935	79%	0.786	S	S	*	*			trans	-113.2	123.9	150.7	-79.4	-172.9	166.4	0	0	107.2
64	D	34.3	Very low	38.8	Very low	148 Å²	148	163.4 Å²	163.4	79%	0.791	81%	0.807	S	S	*	*			trans	-75.6	127.5	-178.2	-71.9	-51.8	0	0	0	112.2
65	V	32.6	Very low	37.7	Very low	145 Å²	145	161 Å²	161	88%	0.879	81%	0.809	S	S	*	*			trans	-152.8	109.4	142.8	-172.1	0	0	0	0	111.6
66	A	30.4	Very low	37.6	Very low	96 Å²	96	157.3 Å²	157.3	79%	0.793	80%	0.804	S	S	*	*			trans	45.1	120.6	147.6	0	0	0	0	0	122.8
67	E	35.6	Very low	37.2	Very low	196 Å²	196	160 Å²	160	92%	0.916	82%	0.815	S	S	*	*			trans	-63.6	135.1	166.1	-66.9	176.9	138.8	0	0	113.8
68	K	31.7	Very low	37.8	Very low	213 Å²	213	158.4 Å²	158.4	93%	0.926	81%	0.812	S	S	*	*			trans	-135.2	132.3	149.9	-89.5	-174.3	178.8	177	0	110.3
69	Q	34	Very low	38.2	Very low	191 Å²	191	155.7 Å²	155.7	89%	0.893	80%	0.804	S	S	*	*			trans	-61.5	167.3	-173.9	-79.5	-171.5	-2.2	0	0	116.2
70	P	35.3	Very low	38.4	Very low	120 Å²	120	158.2 Å²	158.2	78%	0.779	81%	0.809	S	S	*	*			trans	-86.4	137.8	-163.5	33.6	-33.5	0	0	0	115.7
71	K	33.8	Very low	38.9	Very low	208 Å²	208	160 Å²	160	90%	0.904	81%	0.811	S	S	*	*			trans	29.6	116.9	148.5	-62.5	-178	179.9	179	0	120.2
72	R	31.3	Very low	39.4	Very low	254 Å²	254	156.9 Å²	156.9	96%	0.958	80%	0.803	S	S	*	*			trans	-122.4	139.1	141.5	-89.8	-175.8	173	179.8	-1.7	109.3
73	G	32.9	Very low	39.3	Very low	77 Å²	77	161 Å²	161	79%	0.794	81%	0.81	S	S	*	*			trans	83.8	111.7	154.8	0	0	0	0	0	116.8	S75	G73-S75 PolarHBondContact O-N 3.14Å
74	Y	41.9	Very low	39.6	Very low	233 Å²	233	157.1 Å²	157.1	91%	0.914	80%	0.802	S	S	*	*			trans	-68.8	119.8	159.9	-159	-96.5	0	0	0	107.5
75	S	34.7	Very low	39.4	Very low	98 Å²	98	157 Å²	157	69%	0.685	81%	0.806	S	S	*	*			trans	-123.2	127.4	174.4	-177.6	0	0	0	0	108.8	G73 D77	G73-S75 PolarHBondContact O-N 3.14Å; S75-D77 PolarHBondContact O-N 2.99Å
76	D	50.5	Low	39.4	Very low	122 Å²	122	160 Å²	160	65%	0.652	81%	0.808	S	S	*	*			trans	-88.9	84.3	-168.1	-162.8	7.9	0	0	0	110.6
77	D	45.5	Very low	39.3	Very low	140 Å²	140	167.1 Å²	167.1	75%	0.749	81%	0.814	S	S	*	*			trans	-95.4	18.6	-178.1	-92.1	-35.3	0	0	0	114.1	S75	S75-D77 PolarHBondContact O-N 2.99Å
78	N	55.8	Low	39.1	Very low	113 Å²	113	167.7 Å²	167.7	60%	0.604	81%	0.813	S	S	*	*			trans	-98.6	13.1	178.7	-114.8	-4.1	0	0	0	115	K80	N78-K80 PolarHBondContact O-N 3.47Å
79	S	49.8	Very low	39.1	Very low	88 Å²	88	169.4 Å²	169.4	62%	0.615	81%	0.814	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.9	-3.7	-175.8	54.6	0	0	0	0	115.4
80	K	50.3	Low	38.7	Very low	201 Å²	201	169.8 Å²	169.8	87%	0.874	81%	0.813	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.5	-3.3	-173.2	-84	177.6	179.6	169.5	0	116.9	N78	N78-K80 PolarHBondContact O-N 3.47Å
81	W	50.3	Low	38.3	Very low	211 Å²	211	171.9 Å²	171.9	80%	0.799	81%	0.814	S	S	*	*	S	Bend	trans	-129.3	-2.5	178	90.4	-52.8	0	0	0	116	K83	W81-K83 PolarHBondContact O-N 3.03Å
82	L	42.4	Very low	37.9	Very low	131 Å²	131	169.3 Å²	169.3	69%	0.686	81%	0.81	S	S	*	*			trans	-88.2	89.3	169.7	-80.5	152.9	0	0	0	109.5
83	K	39	Very low	37.8	Very low	196 Å²	196	165.4 Å²	165.4	85%	0.852	80%	0.803	S	S	*	*			trans	-105.6	109.3	163.6	-74.5	-173.2	180	-179.7	0	109.4	W81	W81-K83 PolarHBondContact O-N 3.03Å
84	P	38.6	Very low	38.3	Very low	119 Å²	119	166.9 Å²	166.9	77%	0.773	80%	0.798	S	S	*	*			trans	-75.9	127.1	164.6	-0.6	16.1	0	0	0	109.6	K86	P84-K86 PolarHBondContact O-N 2.77Å
85	T	31.5	Very low	37.5	Very low	144 Å²	144	164.7 Å²	164.7	88%	0.883	80%	0.797	S	S	*	*			trans	-67.3	108.5	170.5	33.7	0	0	0	0	109.9	R87	T85-R87 PolarHBondContact O-N 3.27Å
86	K	31.4	Very low	37.1	Very low	209 Å²	209	164.6 Å²	164.6	91%	0.909	80%	0.796	S	S	*	*			trans	-69.8	108.9	170.8	-75.1	-177.6	176.9	-178.9	0	109.8	P84	P84-K86 PolarHBondContact O-N 2.77Å
87	R	29.8	Very low	36	Very low	246 Å²	246	167.6 Å²	167.6	93%	0.928	81%	0.806	S	S	*	*			trans	-98	111.8	159.1	-146.1	173.4	171.4	-175.3	-4.1	106.8	T85	T85-R87 PolarHBondContact O-N 3.27Å
88	K	31	Very low	35	Very low	207 Å²	207	167.9 Å²	167.9	90%	0.9	81%	0.808	S	S	*	*			trans	-64.8	127.8	177.9	-78.1	178.3	173.4	178.9	0	109.9
89	R	30.2	Very low	33.7	Very low	249 Å²	249	169.9 Å²	169.9	94%	0.94	82%	0.818	S	S	*	*			trans	-145	132.8	147.2	-108.2	177.9	157	173.9	-8	108.1
90	K	27.5	Very low	32.6	Very low	199 Å²	199	171 Å²	171	87%	0.865	83%	0.826	S	S	*	*			trans	-65.1	148.8	-173.9	-75.9	177.3	168.6	-173.5	0	110.8
91	M	25.2	Very low	31.7	Very low	165 Å²	165	170.6 Å²	170.6	81%	0.813	83%	0.828	S	S	*	*			trans	-117.2	120.6	171.4	-151.1	162.3	83.8	0	0	105
92	D	27.1	Very low	30.6	Very low	153 Å²	153	168.9 Å²	168.9	82%	0.818	83%	0.828	S	S	*	*			trans	-121.7	132.3	162.6	-73.2	-46.5	0	0	0	105.3
93	E	28.3	Very low	29.8	Very low	172 Å²	172	170.4 Å²	170.4	80%	0.804	83%	0.834	S	S	*	*			trans	-103.5	-175.8	171.3	-72.9	-175.6	150.4	0	0	108.8
94	P	42.5	Very low	29.3	Very low	108 Å²	108	172.9 Å²	172.9	70%	0.701	84%	0.838	S	S	*	*				-130.5	162.4	-59.4	37.1	-21.8	0	0	0	112.1
95	E	26.8	Very low	28.6	Very low	188 Å²	188	175.2 Å²	175.2	88%	0.879	84%	0.839	S	S	*	*			trans	-164.5	109	161.9	-104.8	168.2	-154	0	0	107
96	S	25.2	Very low	28.5	Very low	96 Å²	96	175.5 Å²	175.5	67%	0.671	84%	0.835	S	S	*	*				79.3	114.5	88.6	71.6	0	0	0	0	115.9
97	E	27.3	Very low	28.3	Very low	184 Å²	184	175 Å²	175	86%	0.86	84%	0.836	S	S	*	*			trans	76.4	125.2	144.7	-63.7	179.7	177.7	0	0	122.6
98	D	25.3	Very low	28.2	Very low	147 Å²	147	171.2 Å²	171.2	79%	0.786	83%	0.829	S	S	*	*			trans	65.8	116.6	142.4	-85	-8.9	0	0	0	124.4
99	D	27.2	Very low	28	Very low	154 Å²	154	170.8 Å²	170.8	82%	0.824	83%	0.83	S	S	*	*				66.7	102.5	119.3	-135.3	18.2	0	0	0	119.8
100	S	28.3	Very low	27.8	Very low	113 Å²	113	166.6 Å²	166.6	79%	0.79	82%	0.821	S	S	*	*			trans	179.6	143.5	133.1	54.3	0	0	0	0	113.3
101	E	30.9	Very low	27.8	Very low	192 Å²	192	166.6 Å²	166.6	90%	0.897	82%	0.824	S	S	*	*			trans	-59.3	134.5	174.2	-53.5	-179.4	142.4	0	0	114.3
102	E	27.6	Very low	27.9	Very low	174 Å²	174	166.2 Å²	166.2	81%	0.813	82%	0.82	S	S	*	*			trans	-147.9	105.1	155.1	-72.1	-172.2	159.6	0	0	107.1
103	M	25.8	Very low	27.9	Very low	164 Å²	164	168.3 Å²	168.3	81%	0.808	83%	0.825	S	S	*	*				56	94.7	82.2	-147.4	171.4	-170.5	0	0	112	E105	M103-E105 PolarHBondContact O-N 3.04Å
104	W	27.3	Very low	27.8	Very low	247 Å²	247	167.6 Å²	167.6	94%	0.936	82%	0.822	S	S	*	*			trans	-83.8	99.2	170.8	-67	77.9	0	0	0	107.6
105	E	25.1	Very low	27	Very low	169 Å²	169	168.6 Å²	168.6	79%	0.79	83%	0.825	S	S	*	*			trans	-77.8	119.9	164.9	-71.5	-175.5	159.7	0	0	108.7	M103	M103-E105 PolarHBondContact O-N 3.04Å
106	D	28.5	Very low	27	Very low	149 Å²	149	167.2 Å²	167.2	80%	0.797	82%	0.823	S	S	*	*			trans	-70.9	124.7	169.4	-79.8	-45	0	0	0	108.9	E108	D106-E108 PolarHBondContact O-N 3.49Å; D106-E108 VanDerWaalsContact O-N 3.16Å
107	E	27.3	Very low	26.9	Very low	200 Å²	200	170.3 Å²	170.3	94%	0.935	83%	0.831	S	S	*	*			trans	-73.2	98.3	165	-76.1	179.2	157.3	0	0	108.7
108	E	28	Very low	27.2	Very low	166 Å²	166	166.9 Å²	166.9	78%	0.776	83%	0.825	S	S	*	*			trans	-83.6	112	164.6	-72.4	-173.5	155	0	0	109.6	D106 E110	D106-E108 PolarHBondContact O-N 3.49Å; D106-E108 VanDerWaalsContact O-N 3.16Å; E108-E110 PolarHBondContact O-N 3.03Å
109	E	27	Very low	27.1	Very low	198 Å²	198	169.4 Å²	169.4	93%	0.925	83%	0.829	S	S	*	*			trans	-79.4	106.9	161.8	-76.2	-179.1	156.3	0	0	108.6
110	E	26.4	Very low	27	Very low	161 Å²	161	170.3 Å²	170.3	75%	0.752	83%	0.826	S	S	*	*			trans	-81.5	113.3	169.4	-70.1	-176.6	151.6	0	0	110.3	E108	E108-E110 PolarHBondContact O-N 3.03Å
111	E	26.5	Very low	26.7	Very low	199 Å²	199	176.1 Å²	176.1	93%	0.93	83%	0.83	S	S	*	*			trans	-98.2	103.4	157.9	-76.4	-172.6	162	0	0	108.6
112	E	27.1	Very low	26.3	Very low	156 Å²	156	170.3 Å²	170.3	73%	0.729	82%	0.822	S	S	*	*			trans	-78	120.3	169.8	-67.9	-169.9	141.9	0	0	110.8
113	E	26.4	Very low	26.1	Very low	197 Å²	197	170.9 Å²	170.9	92%	0.921	82%	0.822	S	S	*	*			trans	-113.9	91.1	165.7	-146	178.9	-162	0	0	108.7
114	Q	26.5	Very low	26	Very low	157 Å²	157	169.8 Å²	169.8	73%	0.734	82%	0.815	S	S	*	*			trans	-94.1	125.8	170.9	-78.3	-172.5	18.7	0	0	111.2
115	V	26.5	Very low	25.9	Very low	129 Å²	129	166 Å²	166	78%	0.782	81%	0.807	S	S	*	*			trans	-76.3	117.2	175.7	177.4	0	0	0	0	110.3
116	L	25.9	Very low	25.8	Very low	160 Å²	160	164.3 Å²	164.3	84%	0.838	80%	0.8	S	S	*	*			trans	-137.8	114.1	163.8	-84.4	167.6	0	0	0	110.9
117	L	24.7	Very low	25.8	Very low	160 Å²	160	164.4 Å²	164.4	84%	0.838	79%	0.793	S	S	*	*			trans	-89.8	158.5	168.7	-85.7	159.8	0	0	0	111.1
118	P	33	Very low	25.7	Very low	113 Å²	113	163.6 Å²	163.6	73%	0.734	79%	0.786	S	S	*	*			trans	-110	168.9	-143.1	40	-33.5	0	0	0	114.5
119	K	22.6	Very low	25.6	Very low	199 Å²	199	160.6 Å²	160.6	87%	0.865	78%	0.784	S	S	*	*			trans	-140.7	134.7	162	-102.8	-176.1	-176.5	173.8	0	113.3
120	K	25.7	Very low	25.6	Very low	174 Å²	174	156 Å²	156	76%	0.757	78%	0.779	S	S	*	*			trans	103.9	116.4	147.5	-75.6	-178.9	175.7	175.4	0	120.3
121	R	21.7	Very low	25.6	Very low	234 Å²	234	154.9 Å²	154.9	88%	0.883	78%	0.778	S	S	*	*				61.8	134	128.5	-67	173	125.8	-174.6	-0.8	117.2
122	G	22.4	Very low	25.7	Very low	70 Å²	70	153.1 Å²	153.1	72%	0.722	78%	0.775	S	S	*	*			cis	170	-175.4	6.3	0	0	0	0	0	110.1
123	K	23.1	Very low	25.6	Very low	187 Å²	187	149 Å²	149	81%	0.813	77%	0.773	S	S	*	*			trans	81.9	138.3	-179.2	-63.3	-176.7	162.6	-151	0	114.7
124	E	23.6	Very low	25.7	Very low	140 Å²	140	147.4 Å²	147.4	65%	0.654	77%	0.771	S	S	*	*			cis	-162.9	149.1	15.9	-126.1	155.7	-152.7	0	0	108.9
125	Q	24.9	Very low	25.8	Very low	167 Å²	167	148.7 Å²	148.7	78%	0.78	77%	0.774	S	S	*	*			trans	35.5	140.6	140.9	-75.5	175.4	-13.1	0	0	120.9
126	E	24.7	Very low	25.7	Very low	135 Å²	135	149 Å²	149	63%	0.631	77%	0.771	S	S	*	*			cis	-175.2	142	42.5	-134.7	-175.7	168.6	0	0	112.8
127	K	27	Very low	25.9	Very low	150 Å²	150	148.6 Å²	148.6	65%	0.652	77%	0.769	S	S	*	*			trans	57.2	118.1	137.8	-79.2	173	-167.2	160.6	0	123.8
128	K	26.3	Very low	25.9	Very low	184 Å²	184	144 Å²	144	80%	0.8	76%	0.761	S	S	*	*				80.8	142.5	106.7	-79.6	-173.7	178.1	-171.1	0	115.2
129	S	26.6	Very low	25.9	Very low	103 Å²	103	146.1 Å²	146.1	72%	0.72	76%	0.761	S	S	*	*			cis	178.7	170.1	7.4	42.8	0	0	0	0	109.3
130	A	26	Very low	26.3	Very low	100 Å²	100	143.6 Å²	143.6	83%	0.826	75%	0.752	S	S	*	*			trans	92.9	140.2	153.7	0	0	0	0	0	117.6
131	D	25.8	Very low	26.2	Very low	138 Å²	138	144.9 Å²	144.9	74%	0.738	76%	0.761	S	S	*	*			cis	-170.6	152.7	-15.7	-171.5	27.3	0	0	0	107.6
132	L	29.7	Very low	26.5	Very low	163 Å²	163	141.4 Å²	141.4	85%	0.853	75%	0.754	S	S	*	*			trans	-41.1	165.3	171	-55.8	161.7	0	0	0	115.6
133	G	25.2	Very low	26.7	Very low	68 Å²	68	147.4 Å²	147.4	70%	0.701	76%	0.764	S	S	*	*			cis	157.6	166.2	9.5	0	0	0	0	0	110.3
134	L	28.2	Very low	26.9	Very low	165 Å²	165	147.5 Å²	147.5	86%	0.864	77%	0.767	S	S	*	*			trans	-167.4	98.1	157.5	-137.7	71.5	0	0	0	108.3
135	K	27.9	Very low	27.2	Very low	184 Å²	184	149.8 Å²	149.8	80%	0.8	78%	0.778	S	S	*	*				49.6	135.9	93.9	-69.3	-173.5	178	-178.7	0	114.5
136	N	25.5	Very low	27.3	Very low	135 Å²	135	150.1 Å²	150.1	72%	0.722	78%	0.784	S	S	*	*			cis	-167.7	137.7	-4.4	-109.8	11.4	0	0	0	104.1
137	L	29.4	Very low	27.6	Very low	152 Å²	152	148.2 Å²	148.2	80%	0.796	79%	0.786	S	S	*	*				74.3	138.8	76.5	-85.5	169.1	0	0	0	117.7
138	G	24.8	Very low	27.8	Very low	64 Å²	64	148.2 Å²	148.2	66%	0.66	79%	0.793	S	S	*	*			trans	155.6	67.1	175.4	0	0	0	0	0	108.5
139	E	33	Very low	28.3	Very low	157 Å²	157	142.4 Å²	142.4	73%	0.734	79%	0.786	S	S	*	*				77.8	137.6	89.9	-78	178.1	-166.5	0	0	112.4
140	E	30.8	Very low	28.8	Very low	146 Å²	146	143.8 Å²	143.8	68%	0.682	79%	0.785	S	S	*	*			cis	-175.5	155.8	-12	-118.4	170.6	-154.3	0	0	105.9
141	E	24.5	Very low	29.9	Very low	201 Å²	201	146.6 Å²	146.6	94%	0.939	79%	0.786	S	S	*	*				-177.7	137.7	126.2	-98.1	179.5	-163.7	0	0	110.7
142	E	26.7	Very low	31.4	Very low	160 Å²	160	144.4 Å²	144.4	75%	0.748	77%	0.774	S	S	*	*			trans	-85.4	160.2	-163.6	-58.5	179.9	149.9	0	0	114
143	E	26.6	Very low	33.3	Very low	197 Å²	197	142.3 Å²	142.3	92%	0.921	76%	0.763	S	S	*	*				-172.2	144.4	118.3	-98.3	-178.8	-165	0	0	110.9
144	E	28	Very low	35	Very low	188 Å²	188	144 Å²	144	88%	0.879	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-82.1	158	-154.5	-71.9	-106.3	146.6	0	0	117.5
145	E	29.7	Very low	36.4	Very low	189 Å²	189	142.8 Å²	142.8	88%	0.883	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-101.5	144.5	-178.8	-74.4	-176.8	150.2	0	0	113.6
146	D	26.7	Very low	37.8	Very low	173 Å²	173	138.7 Å²	138.7	93%	0.925	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-91.8	144.2	167.4	-87.8	-44.3	0	0	0	113.3
147	S	31	Very low	39.6	Very low	95 Å²	95	139.4 Å²	139.4	66%	0.664	73%	0.731	S	S	*	*			trans	-25	134.3	170.7	-130.3	0	0	0	0	121.1
148	D	32.1	Very low	41.3	Very low	150 Å²	150	134.9 Å²	134.9	80%	0.802	72%	0.716	S	S	*	*			trans	58.7	121.1	145.8	-50.1	-41.9	0	0	0	119.8
149	G	35.6	Very low	43.3	Very low	63 Å²	63	134.5 Å²	134.5	65%	0.649	71%	0.706	S	S	*	*			cis	89.4	118.1	32.8	0	0	0	0	0	110.1
150	D	36.7	Very low	44.6	Very low	132 Å²	132	133.9 Å²	133.9	71%	0.706	70%	0.701	S	S	*	*			cis	-165.4	145	24.1	-79.2	-51.2	0	0	0	111.2
151	D	49.1	Very low	46.2	Very low	159 Å²	159	135 Å²	135	85%	0.85	70%	0.703	S	S	*	*			trans	165.5	78.8	136.3	-94.9	-13.9	0	0	0	111
152	L	58.9	Low	47.7	Very low	91 Å²	91	131.4 Å²	131.4	48%	0.476	69%	0.687	S	S	.	*			trans	-132.9	134.1	167	-73.7	170.4	0	0	0	109.9	E156	L152-E156 WeakPolarHBondContact CD2-OE2 3.15Å
153	L	69.5	Low	49.3	Very low	119 Å²	119	130.5 Å²	130.5	62%	0.623	68%	0.68	S	S	*	*			trans	-68.2	152.5	-176.9	-69.9	166.1	0	0	0	110.9	I155 E156 R157	L153-I155 PolarHBondContact O-N 2.7Å; L153-E156 PolarHBondContact N-OE2 3.16Å; L153-E156 PolarHBondContact O-N 2.91Å; L153-R157 PolarHBondContact O-N 2.99Å
154	P	60	Low	50.7	Low	103 Å²	103	128.7 Å²	128.7	67%	0.669	67%	0.669	S	S	*	*	H	α-helix	trans	-55.4	-26.2	-177.8	-28.4	35.7	0	0	0	115.3	A158	P154-A158 PolarHBondContact O-N 3.18Å; P154-A158 VanDerWaalsContact O-N 3.14Å
155	I	57.1	Low	51.6	Low	141 Å²	141	125 Å²	125	72%	0.723	66%	0.655	S	S	*	*	H	α-helix	trans	-74	-37.1	178.5	-61.9	166.9	0	0	0	111.2	L153 A158 A159	L153-I155 PolarHBondContact O-N 2.7Å; I155-A158 PolarHBondContact O-N 2.91Å; I155-A159 PolarHBondContact O-N 3.43Å
156	E	58.7	Low	52.6	Low	97 Å²	97	123.7 Å²	123.7	45%	0.453	65%	0.646	S	S	.	*	H	α-helix	trans	-73.1	-35.8	178.3	-65.7	176.1	142.1	0	0	111.2	L152 L153 A158 A159 K160	L152-E156 WeakPolarHBondContact CD2-OE2 3.15Å; L153-E156 PolarHBondContact N-OE2 3.16Å; L153-E156 PolarHBondContact O-N 2.91Å; E156-A158 VanDerWaalsContact C-N 3.33Å; E156-A159 PolarHBondContact O-N 3.43Å; E156-K160 WeakPolarHBondContact O-CB 3.41Å; E156-K160 PolarHBondContact O-N 3.42Å
157	R	62.2	Low	53.4	Low	151 Å²	151	122.1 Å²	122.1	57%	0.57	63%	0.633	S	S	*	*	H	α-helix	trans	-63.5	-37.9	170.1	-78.5	-178.2	174	165.9	-0	111.8	L153 K161	L153-R157 PolarHBondContact O-N 2.99Å; R157-K161 WeakPolarHBondContact O-CB 3.34Å; R157-K161 PolarHBondContact O-N 3Å; R157-K161 VanDerWaalsContact O-N 3.08Å
158	A	65.9	Low	54	Low	57 Å²	57	121.9 Å²	121.9	47%	0.471	63%	0.632	S	S	.	*	H	α-helix	trans	-67.1	-45.4	175.9	0	0	0	0	0	112.2	P154 I155 E156 K160 K161 E162	P154-A158 PolarHBondContact O-N 3.18Å; P154-A158 VanDerWaalsContact O-N 3.14Å; I155-A158 PolarHBondContact O-N 2.91Å; E156-A158 VanDerWaalsContact C-N 3.33Å; A158-K160 VanDerWaalsContact C-N 3.33Å; A158-K160 PolarHBondContact O-N 2.73Å; A158-K161 PolarHBondContact O-N 2.82Å; A158-E162 PolarHBondContact O-N 3.16Å
159	A	65.6	Low	54.5	Low	55 Å²	55	120.8 Å²	120.8	46%	0.455	62%	0.623	S	S	.	*	H	α-helix	trans	-62.9	-38.1	177.4	0	0	0	0	0	112.5	I155 E156 E162 K163	I155-A159 PolarHBondContact O-N 3.43Å; E156-A159 PolarHBondContact O-N 3.43Å; A159-E162 PolarHBondContact O-N 3.37Å; A159-K163 WeakPolarHBondContact O-CB 3.14Å; A159-K163 PolarHBondContact O-N 2.93Å
160	K	61.9	Low	55.1	Low	145 Å²	145	121.1 Å²	121.1	63%	0.63	63%	0.627	S	S	*	*	H	α-helix	trans	-69.3	-35.5	176.8	-142.9	173.4	-172.8	179.4	0	111.8	E156 A158 K164	E156-K160 WeakPolarHBondContact O-CB 3.41Å; E156-K160 PolarHBondContact O-N 3.42Å; A158-K160 VanDerWaalsContact C-N 3.33Å; A158-K160 PolarHBondContact O-N 2.73Å; K160-K164 WeakPolarHBondContact O-CB 3.49Å; K160-K164 PolarHBondContact O-N 3.38Å
161	K	64.1	Low	55.1	Low	168 Å²	168	122.1 Å²	122.1	73%	0.73	63%	0.631	S	S	*	*	H	α-helix	trans	-68.8	-39	174.8	-133.2	173	-175.3	178.5	0	111.8	R157 A158 K164 L165	R157-K161 WeakPolarHBondContact O-CB 3.34Å; R157-K161 PolarHBondContact O-N 3Å; R157-K161 VanDerWaalsContact O-N 3.08Å; A158-K161 PolarHBondContact O-N 2.82Å; K161-K164 PolarHBondContact O-N 3.36Å; K161-L165 WeakPolarHBondContact O-CB 3.27Å; K161-L165 PolarHBondContact O-N 3.41Å
162	E	55	Low	54.7	Low	127 Å²	127	122.4 Å²	122.4	59%	0.593	63%	0.633	S	S	*	*	H	α-helix	trans	-68.5	-37.3	177.1	-144	-177.2	-172.6	0	0	112.1	A158 A159 L165 K166	A158-E162 PolarHBondContact O-N 3.16Å; A159-E162 PolarHBondContact O-N 3.37Å; E162-L165 PolarHBondContact O-N 2.92Å; E162-K166 PolarHBondContact O-N 2.66Å
163	K	60.3	Low	54	Low	141 Å²	141	127.1 Å²	127.1	61%	0.613	65%	0.649	S	S	*	*	H	α-helix	trans	-66.2	-43.1	173.9	-163.3	175.5	-178.4	-178.4	0	112	A159 L165 K166 E167	A159-K163 WeakPolarHBondContact O-CB 3.14Å; A159-K163 PolarHBondContact O-N 2.93Å; K163-L165 VanDerWaalsContact C-N 3.34Å; K163-L165 PolarHBondContact O-N 3.33Å; K163-K166 PolarHBondContact O-N 3.48Å; K163-E167 PolarHBondContact O-N 3.24Å
164	K	56	Low	52.3	Low	159 Å²	159	130.4 Å²	130.4	69%	0.691	66%	0.661	S	S	*	*	H	α-helix	trans	-66.3	-34.8	175.3	-129.5	178.5	-177.9	-173.8	0	112.4	K160 K161 E167 S168	K160-K164 WeakPolarHBondContact O-CB 3.49Å; K160-K164 PolarHBondContact O-N 3.38Å; K161-K164 PolarHBondContact O-N 3.36Å; K164-E167 PolarHBondContact O-N 3.14Å; K164-S168 WeakPolarHBondContact O-CB 3.2Å; K164-S168 PolarHBondContact O-N 3.1Å; K164-S168 PolarHBondContact O-OG 2.9Å
165	L	47.7	Very low	51.1	Low	109 Å²	109	133.9 Å²	133.9	57%	0.571	67%	0.666	S	S	*	*	H	α-helix	trans	-67.5	-41.2	175.9	-158.1	84.8	0	0	0	111.2	K161 E162 K163 S168 M169	K161-L165 WeakPolarHBondContact O-CB 3.27Å; K161-L165 PolarHBondContact O-N 3.41Å; E162-L165 PolarHBondContact O-N 2.92Å; K163-L165 VanDerWaalsContact C-N 3.34Å; K163-L165 PolarHBondContact O-N 3.33Å; L165-S168 PolarHBondContact O-N 3.11Å; L165-S168 PolarHBondContact O-OG 3.46Å; L165-M169 WeakPolarHBondContact O-CG 3.22Å; L165-M169 PolarHBondContact O-N 3.17Å
166	K	51.4	Low	49.9	Very low	163 Å²	163	131.3 Å²	131.3	71%	0.709	66%	0.661	S	S	*	*	H	α-helix	trans	-64.5	-38.5	174.1	-78.2	-178.9	176.9	179.4	0	112.8	E162 K163	E162-K166 PolarHBondContact O-N 2.66Å; K163-K166 PolarHBondContact O-N 3.48Å
167	E	43.7	Very low	48.9	Very low	139 Å²	139	134.1 Å²	134.1	65%	0.65	68%	0.678	S	S	*	*	H	α-helix	trans	-68	-35.2	174.4	-79.5	170.4	170.5	0	0	112.5	K163 K164 M169	K163-E167 PolarHBondContact O-N 3.24Å; K164-E167 PolarHBondContact O-N 3.14Å; E167-M169 VanDerWaalsContact C-N 3.31Å; E167-M169 PolarHBondContact O-N 3.25Å
168	S	42.8	Very low	47.7	Very low	90 Å²	90	129.9 Å²	129.9	63%	0.629	67%	0.672	S	S	*	*	H	α-helix	trans	-73.3	-17.8	-179.9	69.6	0	0	0	0	114.9	K164 L165	K164-S168 WeakPolarHBondContact O-CB 3.2Å; K164-S168 PolarHBondContact O-N 3.1Å; K164-S168 PolarHBondContact O-OG 2.9Å; L165-S168 PolarHBondContact O-N 3.11Å; L165-S168 PolarHBondContact O-OG 3.46Å
169	M	43.3	Very low	46.4	Very low	128 Å²	128	131.1 Å²	131.1	63%	0.631	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	3	-176.4	-72.4	-169.8	80	0	0	114.8	L165 E167 L171	L165-M169 WeakPolarHBondContact O-CG 3.22Å; L165-M169 PolarHBondContact O-N 3.17Å; E167-M169 VanDerWaalsContact C-N 3.31Å; E167-M169 PolarHBondContact O-N 3.25Å; M169-L171 VanDerWaalsContact C-N 3.25Å; M169-L171 PolarHBondContact O-N 3.1Å
170	G	46.9	Very low	44.9	Very low	70 Å²	70	135.8 Å²	135.8	72%	0.722	69%	0.685	S	S	*	*			trans	34.9	48	157.7	0	0	0	0	0	117
171	L	38.1	Very low	43.8	Very low	153 Å²	153	134 Å²	134	80%	0.801	68%	0.682	S	S	*	*			trans	-109.3	53.8	-179	-110.4	155	0	0	0	109.7	M169	M169-L171 VanDerWaalsContact C-N 3.25Å; M169-L171 PolarHBondContact O-N 3.1Å
172	D	40	Very low	42.7	Very low	164 Å²	164	131.8 Å²	131.8	88%	0.877	68%	0.675	S	S	*	*			trans	-105.1	75.1	169.2	-86.9	-37.1	0	0	0	110.2
173	K	43.6	Very low	41.8	Very low	190 Å²	190	131.4 Å²	131.4	83%	0.826	67%	0.673	S	S	*	*			trans	-169.5	76	146.4	-129.4	175.7	-177.1	174.6	0	111.8
174	H	34.8	Very low	40.8	Very low	189 Å²	189	131.2 Å²	131.2	88%	0.875	67%	0.674	S	S	*	*			trans	-163.9	77.3	142.7	-96.4	-63.6	0	0	0	107.2	S176	H174-S176 VanDerWaalsContact C-N 3.3Å; H174-S176 PolarHBondContact O-N 3.4Å
175	K	34.8	Very low	40	Very low	176 Å²	176	127.1 Å²	127.1	77%	0.765	66%	0.662	S	S	*	*			trans	-61.6	98.2	156.1	-96.7	-178.5	169.1	-175.9	0	106.4
176	S	30.2	Very low	39.8	Very low	87 Å²	87	127.2 Å²	127.2	61%	0.608	66%	0.663	S	S	*	*			trans	-73.1	145.5	155.5	47.9	0	0	0	0	108.2	H174 S178	H174-S176 VanDerWaalsContact C-N 3.3Å; H174-S176 PolarHBondContact O-N 3.4Å; S176-S178 PolarHBondContact O-N 2.86Å
177	D	38.1	Very low	39	Very low	155 Å²	155	126 Å²	126	83%	0.829	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.6	42.8	-175.8	-67.9	-44.8	0	0	0	115.9
178	S	37.6	Very low	38.7	Very low	62 Å²	62	123.6 Å²	123.6	43%	0.434	65%	0.654	S	S	.	*	T	Hydrogen-bonded Turn	trans	-108.2	-18.8	176.2	57.3	0	0	0	0	114.2	S176	S176-S178 PolarHBondContact O-N 2.86Å
179	D	38.5	Very low	38.6	Very low	83 Å²	83	125.1 Å²	125.1	44%	0.444	66%	0.655	S	S	.	*	S	Bend	trans	-99.7	-9.7	-171.5	-61.1	0	0	0	0	113.2	E183	D179-E183 PolarHBondContact O-N 2.69Å
180	M	34	Very low	38.2	Very low	153 Å²	153	122.3 Å²	122.3	75%	0.754	65%	0.652	S	S	*	*	H	α-helix	trans	-72.5	-30.9	171	-100.4	-166.4	-166.1	0	0	112.1	E182 E184	M180-E182 VanDerWaalsContact C-N 3.34Å; M180-E184 WeakPolarHBondContact O-CB 3.47Å; M180-E184 PolarHBondContact O-N 3.18Å; M180-E184 VanDerWaalsContact O-N 3.11Å
181	D	39.1	Very low	37.6	Very low	108 Å²	108	126 Å²	126	58%	0.578	66%	0.655	S	S	*	*	H	α-helix	trans	-76.2	-25.5	176.6	-65.5	-22.9	0	0	0	111.4	T185	D181-T185 WeakPolarHBondContact O-CB 3.36Å; D181-T185 WeakPolarHBondContact O-CG2 3.31Å; D181-T185 PolarHBondContact O-N 2.61Å; D181-T185 VanDerWaalsContact O-N 3.1Å; D181-T185 PolarHBondContact O-OG1 2.76Å
182	E	40.4	Very low	37.7	Very low	122 Å²	122	123.7 Å²	123.7	57%	0.57	64%	0.644	S	S	*	*	H	α-helix	trans	-80.8	-36.1	175.5	-73.5	-169.5	175.7	0	0	112.8	M180 T185 I186	M180-E182 VanDerWaalsContact C-N 3.34Å; E182-T185 VanDerWaalsContact CA-OG1 3.24Å; E182-T185 WeakPolarHBondContact CA-OG1 3.38Å; E182-T185 PolarHBondContact O-N 3.26Å; E182-T185 PolarHBondContact O-OG1 2.68Å; E182-T185 VanDerWaalsContact O-OG1 3.1Å; E182-I186 WeakPolarHBondContact O-CB 3.42Å; E182-I186 WeakPolarHBondContact O-CD1 3.48Å; E182-I186 WeakPolarHBondContact O-CG1 3.32Å; E182-I186 PolarHBondContact O-N 3.1Å
183	E	36.5	Very low	37.6	Very low	119 Å²	119	125.1 Å²	125.1	56%	0.556	64%	0.643	S	S	*	*	H	α-helix	trans	-74.1	-33.1	172.6	-76.7	-169.1	166.8	0	0	112.9	D179 T185 I186 Q187	D179-E183 PolarHBondContact O-N 2.69Å; E183-T185 VanDerWaalsContact C-N 3.35Å; E183-I186 PolarHBondContact O-N 3.08Å; E183-Q187 VanDerWaalsContact O-CB 3.31Å; E183-Q187 WeakPolarHBondContact O-CB 3.25Å; E183-Q187 WeakPolarHBondContact O-CG 3.37Å; E183-Q187 PolarHBondContact O-N 3.18Å
184	E	38.3	Very low	37.9	Very low	136 Å²	136	121.6 Å²	121.6	64%	0.636	63%	0.633	S	S	*	*	H	α-helix	trans	-68.1	-32.8	168.8	-83.9	-168.4	161.9	0	0	112.1	M180 T188	M180-E184 WeakPolarHBondContact O-CB 3.47Å; M180-E184 PolarHBondContact O-N 3.18Å; M180-E184 VanDerWaalsContact O-N 3.11Å; E184-T188 WeakPolarHBondContact O-CB 3.37Å; E184-T188 WeakPolarHBondContact O-CG2 3.41Å; E184-T188 PolarHBondContact O-N 3.14Å; E184-T188 VanDerWaalsContact O-N 3.08Å; E184-T188 PolarHBondContact O-OG1 3.06Å
185	T	40.2	Very low	38.5	Very low	73 Å²	73	116.2 Å²	116.2	45%	0.448	61%	0.614	S	S	.	*	H	α-helix	trans	-78.9	-23.4	174.3	50.1	0	0	0	0	114	D181 E182 E183 T188 N189	D181-T185 WeakPolarHBondContact O-CB 3.36Å; D181-T185 WeakPolarHBondContact O-CG2 3.31Å; D181-T185 PolarHBondContact O-N 2.61Å; D181-T185 VanDerWaalsContact O-N 3.1Å; D181-T185 PolarHBondContact O-OG1 2.76Å; E182-T185 VanDerWaalsContact CA-OG1 3.24Å; E182-T185 WeakPolarHBondContact CA-OG1 3.38Å; E182-T185 PolarHBondContact O-N 3.26Å; E182-T185 PolarHBondContact O-OG1 2.68Å; E182-T185 VanDerWaalsContact O-OG1 3.1Å; E183-T185 VanDerWaalsContact C-N 3.35Å; T185-T188 VanDerWaalsContact CA-OG1 3.29Å; T185-T188 WeakPolarHBondContact CA-OG1 3.38Å; T185-T188 PolarHBondContact O-OG1 3.3Å; T185-N189 PolarHBondContact O-N 2.97Å; T185-N189 PolarHBondContact O-ND2 2.67Å
186	I	43.2	Very low	39.5	Very low	112 Å²	112	109 Å²	109	57%	0.574	58%	0.582	S	S	*	*	H	α-helix	trans	-83.6	-34.5	173.2	-67.6	164	0	0	0	111.1	E182 E183 N189 A190	E182-I186 WeakPolarHBondContact O-CB 3.42Å; E182-I186 WeakPolarHBondContact O-CD1 3.48Å; E182-I186 WeakPolarHBondContact O-CG1 3.32Å; E182-I186 PolarHBondContact O-N 3.1Å; E183-I186 PolarHBondContact O-N 3.08Å; I186-N189 PolarHBondContact O-N 2.94Å; I186-A190 PolarHBondContact O-N 2.93Å
187	Q	35.5	Very low	40.9	Very low	137 Å²	137	113.9 Å²	113.9	64%	0.64	59%	0.587	S	S	*	*	H	α-helix	trans	-74.4	-26.9	174.1	-73.5	-179.9	4.8	0	0	113.1	E183 N189	E183-Q187 VanDerWaalsContact O-CB 3.31Å; E183-Q187 WeakPolarHBondContact O-CB 3.25Å; E183-Q187 WeakPolarHBondContact O-CG 3.37Å; E183-Q187 PolarHBondContact O-N 3.18Å; Q187-N189 VanDerWaalsContact C-N 3.33Å
188	T	37.5	Very low	42	Very low	89 Å²	89	107.2 Å²	107.2	55%	0.546	55%	0.552	S	S	.	*	H	α-helix	trans	-74.9	-21.5	169.6	43.8	0	0	0	0	113.4	E184 T185	E184-T188 WeakPolarHBondContact O-CB 3.37Å; E184-T188 WeakPolarHBondContact O-CG2 3.41Å; E184-T188 PolarHBondContact O-N 3.14Å; E184-T188 VanDerWaalsContact O-N 3.08Å; E184-T188 PolarHBondContact O-OG1 3.06Å; T185-T188 VanDerWaalsContact CA-OG1 3.29Å; T185-T188 WeakPolarHBondContact CA-OG1 3.38Å; T185-T188 PolarHBondContact O-OG1 3.3Å
189	N	40.1	Very low	43.2	Very low	121 Å²	121	106.1 Å²	106.1	65%	0.647	54%	0.543	S	S	*	.	S	Bend	trans	-94.8	-3.9	178.1	-76.3	-44.2	0	0	0	114.4	T185 I186 Q187	T185-N189 PolarHBondContact O-N 2.97Å; T185-N189 PolarHBondContact O-ND2 2.67Å; I186-N189 PolarHBondContact O-N 2.94Å; Q187-N189 VanDerWaalsContact C-N 3.33Å
190	A	35.5	Very low	43.5	Very low	69 Å²	69	104.7 Å²	104.7	57%	0.57	54%	0.54	S	S	*	.	S	Bend	trans	-95.3	-10.7	179.7	0	0	0	0	0	113.9	I186	I186-A190 PolarHBondContact O-N 2.93Å
191	D	33.5	Very low	44.3	Very low	147 Å²	147	101.5 Å²	101.5	79%	0.786	54%	0.537	S	S	*	.	S	Bend	trans	-104.5	-3.7	177.1	-83.5	-27	0	0	0	114.2	F193	D191-F193 VanDerWaalsContact C-N 3.35Å; D191-F193 PolarHBondContact O-N 2.86Å
192	D	39.4	Very low	44.6	Very low	105 Å²	105	103.9 Å²	103.9	56%	0.561	55%	0.545	S	S	*	.			trans	-90.3	69.7	171.3	-77.6	-22.1	0	0	0	110.7	D194	D192-D194 HydrophobicContact CB-CB 4.26Å; D192-D194 PolarHBondContact O-N 3.41Å
193	F	39	Very low	45.1	Very low	195 Å²	195	103.8 Å²	103.8	86%	0.855	55%	0.545	S	S	*	.			trans	-68.7	72.5	140.4	-85.6	-80.6	0	0	0	106.6	D191 T195	D191-F193 VanDerWaalsContact C-N 3.35Å; D191-F193 PolarHBondContact O-N 2.86Å; F193-T195 PolarHBondContact O-N 3.22Å
194	D	48.5	Very low	45.8	Very low	116 Å²	116	101 Å²	101	62%	0.62	54%	0.539	S	S	*	.			trans	-58.7	110.8	-166.5	-149	-1.7	0	0	0	107.1	D192 F196	D192-D194 HydrophobicContact CB-CB 4.26Å; D192-D194 PolarHBondContact O-N 3.41Å; D194-F196 PolarHBondContact O-N 2.98Å
195	T	48.8	Very low	46.1	Very low	76 Å²	76	102.4 Å²	102.4	47%	0.466	55%	0.545	S	S	.	.			trans	-66.3	97.7	176	-58.9	0	0	0	0	104.4	F193 R197 E235	F193-T195 PolarHBondContact O-N 3.22Å; T195-R197 WeakPolarHBondContact O-CG 3.4Å; T195-R197 PolarHBondContact O-N 3.07Å; T195-E235 HydrophobicContact CG2-CG 4.48Å
196	F	56.3	Low	46.2	Very low	25 Å²	25	106.8 Å²	106.8	11%	0.11	56%	0.561	C	S	.	*			trans	-45.6	105.8	-171.8	171.4	-102.5	0	0	0	110.4	D194 L198 R219 D222 N223 V226 Y243 L246	D194-F196 PolarHBondContact O-N 2.98Å; F196-L198 HydrophobicContact CE1-CD2 4.02Å; F196-R219 HydrophobicContact CE2-CB 4.42Å; F196-R219 HydrophobicContact CE2-CG 3.7Å; F196-R219 HydrophobicContact CZ-CG 3.67Å; F196-D222 HydrophobicContact CB-CB 4.06Å; F196-D222 HydrophobicContact CD2-CB 3.54Å; F196-D222 HydrophobicContact CE2-CB 4.2Å; F196-D222 HydrophobicContact CG-CB 3.82Å; F196-N223 HydrophobicContact CD1-CB 4.41Å; F196-N223 HydrophobicContact CE1-CB 3.81Å; F196-N223 HydrophobicContact CZ-CB 4.16Å; F196-V226 HydrophobicContact CB-CG2 3.87Å; F196-V226 HydrophobicContact CD1-CG2 4.22Å; F196-V226 HydrophobicContact CG-CG2 4.47Å; F196-Y243 HydrophobicContact CD1-CD1 4.47Å; F196-Y243 HydrophobicContact CD1-CE1 4.05Å; F196-Y243 HydrophobicContact CE1-CD1 4.32Å; F196-Y243 HydrophobicContact CE1-CE1 4.23Å; F196-L246 HydrophobicContact CE1-CD2 4.38Å; F196-L246 HydrophobicContact CZ-CD2 4.04Å
197	R	59.3	Low	46.3	Very low	188 Å²	188	102.7 Å²	102.7	71%	0.709	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-86.4	122.4	-178.3	-61.7	-157.8	176.3	154.7	1.1	108.8	T195 P199 E235	T195-R197 WeakPolarHBondContact O-CG 3.4Å; T195-R197 PolarHBondContact O-N 3.07Å; R197-P199 WeakPolarHBondContact O-CD 3.48Å; R197-P199 VanDerWaalsContact O-N 3.17Å; R197-E235 VanDerWaalsContact CA-CD 3.48Å; R197-E235 VanDerWaalsContact CA-OE1 3.22Å; R197-E235 WeakPolarHBondContact CA-OE1 3.32Å; R197-E235 WeakPolarHBondContact CB-OE1 3.41Å; R197-E235 WeakPolarHBondContact CG-OE1 3.41Å
198	L	60	Low	46.7	Very low	15 Å²	15	99.5 Å²	99.5	8%	0.079	54%	0.543	C	S	.	.	P	Polyproline II helix	trans	-59.1	123.6	173.1	-74.8	165.8	0	0	0	108.2	F196 S200 E235 K238 D242 Y243 L246	F196-L198 HydrophobicContact CE1-CD2 4.02Å; L198-S200 PolarHBondContact O-N 3.18Å; L198-E235 PolarHBondContact N-OE2 3.19Å; L198-K238 HydrophobicContact CB-CD 3.81Å; L198-K238 HydrophobicContact CD1-CB 4.15Å; L198-K238 HydrophobicContact CD1-CD 3.39Å; L198-K238 HydrophobicContact CD1-CG 4.33Å; L198-K238 HydrophobicContact CG-CD 4.07Å; L198-K238 PolarHBondContact O-NZ 3.1Å; L198-D242 HydrophobicContact CD1-CB 4.02Å; L198-Y243 HydrophobicContact CD1-CD1 3.67Å; L198-Y243 HydrophobicContact CD1-CD2 3.61Å; L198-Y243 HydrophobicContact CD1-CE1 3.53Å; L198-Y243 HydrophobicContact CD1-CE2 3.48Å; L198-Y243 VanDerWaalsContact CD1-CE2 3.48Å; L198-Y243 HydrophobicContact CD1-CG 3.7Å; L198-Y243 VanDerWaalsContact CD1-CZ 3.42Å; L198-Y243 HydrophobicContact CD2-CD1 3.54Å; L198-Y243 HydrophobicContact CD2-CE1 3.78Å; L198-Y243 HydrophobicContact CD2-CG 4.09Å; L198-Y243 HydrophobicContact CG-CD1 3.64Å; L198-Y243 HydrophobicContact CG-CD2 4.48Å; L198-Y243 HydrophobicContact CG-CE1 3.36Å; L198-Y243 HydrophobicContact CG-CE2 4.27Å; L198-Y243 HydrophobicContact CG-CG 4.18Å; L198-L246 HydrophobicContact CD2-CB 4.04Å; L198-L246 HydrophobicContact CD2-CD2 3.28Å; L198-L246 HydrophobicContact CD2-CG 4.29Å
199	P	63.4	Low	47	Very low	39 Å²	39	103.1 Å²	103.1	25%	0.253	56%	0.558	S	S	.	*	P	Polyproline II helix	trans	-52.3	135.1	176.6	-25.4	33.6	0	0	0	110.2	R197 L246	R197-P199 WeakPolarHBondContact O-CD 3.48Å; R197-P199 VanDerWaalsContact O-N 3.17Å; P199-L246 HydrophobicContact CG-CD2 4.49Å
200	S	45.3	Very low	47.4	Very low	54 Å²	54	102.3 Å²	102.3	38%	0.378	56%	0.562	S	S	.	*	P	Polyproline II helix	trans	-64.8	156.7	176.7	63.4	0	0	0	0	110.5	L198 E202 E203 S204	L198-S200 PolarHBondContact O-N 3.18Å; S200-E202 PolarHBondContact O-N 2.99Å; S200-E202 VanDerWaalsContact O-N 3.1Å; S200-E203 PolarHBondContact N-OE2 3.39Å; S200-E203 PolarHBondContact O-N 3.17Å; S200-E203 VanDerWaalsContact O-N 3.14Å; S200-E203 VanDerWaalsContact OG-CD 3.27Å; S200-E203 WeakPolarHBondContact OG-CG 3.36Å; S200-E203 PolarHBondContact OG-OE2 2.94Å; S200-S204 PolarHBondContact O-N 3.02Å
201	A	51.4	Low	48.5	Very low	85 Å²	85	102.6 Å²	102.6	70%	0.702	55%	0.553	S	S	*	*	H	α-helix	trans	-58.9	-25	-178.3	0	0	0	0	0	112.9
202	E	44.5	Very low	50.3	Low	158 Å²	158	100.4 Å²	100.4	74%	0.738	54%	0.542	S	S	*	.	H	α-helix	trans	-77.5	-36.8	178.9	-63.3	177.3	172.5	0	0	111.9	S200 S204 E205 E206	S200-E202 PolarHBondContact O-N 2.99Å; S200-E202 VanDerWaalsContact O-N 3.1Å; E202-S204 VanDerWaalsContact C-N 3.32Å; E202-S204 PolarHBondContact O-N 3.36Å; E202-E205 PolarHBondContact O-N 3.26Å; E202-E206 PolarHBondContact O-N 2.91Å
203	E	51.8	Low	52.1	Low	121 Å²	121	100.7 Å²	100.7	57%	0.565	54%	0.542	S	S	*	.	H	α-helix	trans	-75.2	-21.1	175.9	-67.6	163.8	146.2	0	0	113.1	S200 G207	S200-E203 PolarHBondContact N-OE2 3.39Å; S200-E203 PolarHBondContact O-N 3.17Å; S200-E203 VanDerWaalsContact O-N 3.14Å; S200-E203 VanDerWaalsContact OG-CD 3.27Å; S200-E203 WeakPolarHBondContact OG-CG 3.36Å; S200-E203 PolarHBondContact OG-OE2 2.94Å; E203-G207 PolarHBondContact O-N 3.26Å
204	S	49.4	Very low	54.1	Low	61 Å²	61	99.2 Å²	99.2	43%	0.427	54%	0.536	S	S	.	.	H	α-helix	trans	-73.6	-26.7	175.4	-73	0	0	0	0	113.3	S200 E202	S200-S204 PolarHBondContact O-N 3.02Å; E202-S204 VanDerWaalsContact C-N 3.32Å; E202-S204 PolarHBondContact O-N 3.36Å
205	E	44.6	Very low	55.7	Low	164 Å²	164	95.7 Å²	95.7	77%	0.766	53%	0.526	S	S	*	.	H	α-helix	trans	-87	-37.1	177.5	-69.1	-167.6	168.5	0	0	112.1	E202	E202-E205 PolarHBondContact O-N 3.26Å
206	E	42.6	Very low	57.3	Low	166 Å²	166	92.2 Å²	92.2	78%	0.776	51%	0.505	S	S	*	.	H	α-helix	trans	-78.2	-29.3	177.7	-66.8	-171.2	159.6	0	0	113	E202 A208	E202-E206 PolarHBondContact O-N 2.91Å; E206-A208 VanDerWaalsContact C-N 3.33Å; E206-A208 PolarHBondContact O-N 2.62Å
207	G	44.9	Very low	58.7	Low	25 Å²	25	92.5 Å²	92.5	26%	0.258	51%	0.507	S	S	.	.	G	3₁₀ helix	trans	-76	-11.8	178.9	0	0	0	0	0	115.3	E203 L209 S210 L211	E203-G207 PolarHBondContact O-N 3.26Å; G207-L209 PolarHBondContact O-N 2.85Å; G207-S210 PolarHBondContact O-N 2.97Å; G207-L211 WeakPolarHBondContact O-CG 3.35Å; G207-L211 PolarHBondContact O-N 2.85Å
208	A	45.2	Very low	60	Low	71 Å²	71	88.2 Å²	88.2	59%	0.587	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-63.6	-15.5	-176.3	0	0	0	0	0	114.2	E206	E206-A208 VanDerWaalsContact C-N 3.33Å; E206-A208 PolarHBondContact O-N 2.62Å
209	L	44.3	Very low	61.3	Low	165 Å²	165	89.6 Å²	89.6	86%	0.864	50%	0.499	S	S	*	.	G	3₁₀ helix	trans	-94.2	-5.8	-176.2	-72.3	167	0	0	0	114.5	G207	G207-L209 PolarHBondContact O-N 2.85Å
210	S	46.9	Very low	62.4	Low	104 Å²	104	87.8 Å²	87.8	73%	0.727	49%	0.487	S	S	*	.			trans	-159.7	52	174.6	59.2	0	0	0	0	112.8	G207 D212	G207-S210 PolarHBondContact O-N 2.97Å; S210-D212 PolarHBondContact O-N 2.66Å
211	L	59.2	Low	64.4	Low	75 Å²	75	89.6 Å²	89.6	39%	0.393	49%	0.488	S	S	.	.			trans	-68.4	104.5	166.9	-71.1	171.8	0	0	0	108.5	G207 L213 V216	G207-L211 WeakPolarHBondContact O-CG 3.35Å; G207-L211 PolarHBondContact O-N 2.85Å; L211-L213 PolarHBondContact O-N 3.35Å; L211-V216 HydrophobicContact CB-CG2 3.9Å; L211-V216 HydrophobicContact CD1-CG2 4.34Å; L211-V216 HydrophobicContact CD2-CG2 4.24Å; L211-V216 HydrophobicContact CG-CG2 4.38Å
212	D	71.8	Confident	66	Low	101 Å²	101	87.9 Å²	87.9	54%	0.54	47%	0.467	S	S	.	.			trans	-60.2	123	165.2	-176.9	7	0	0	0	108.1	S210 K214 G215 V216	S210-D212 PolarHBondContact O-N 2.66Å; D212-K214 PolarHBondContact O-N 3.31Å; D212-K214 VanDerWaalsContact O-N 3.09Å; D212-K214 PolarHBondContact OD1-N 3.06Å; D212-G215 WeakPolarHBondContact O-CA 3.22Å; D212-G215 PolarHBondContact O-N 3.07Å; D212-V216 PolarHBondContact O-N 3.28Å; D212-V216 VanDerWaalsContact O-N 3.08Å
213	L	76.2	Confident	68	Low	110 Å²	110	80.3 Å²	80.3	58%	0.576	43%	0.432	S	S	*	.	H	α-helix	trans	-54.7	-30.1	179.2	-71.2	169.1	0	0	0	111.5	L211 H217 Y254	L211-L213 PolarHBondContact O-N 3.35Å; L213-H217 PolarHBondContact O-N 3.34Å; L213-H217 VanDerWaalsContact O-N 3.11Å; L213-Y254 HydrophobicContact CD2-CD2 4.44Å; L213-Y254 WeakPolarHBondContact O-CE2 3.37Å
214	K	81.1	Confident	69.6	Low	165 Å²	165	75.3 Å²	75.3	72%	0.717	41%	0.409	S	S	*	.	H	α-helix	trans	-69.1	-41.8	175	-64.7	-179.7	178.1	179.9	0	112.3	D212 V216 H217 Q218	D212-K214 PolarHBondContact O-N 3.31Å; D212-K214 VanDerWaalsContact O-N 3.09Å; D212-K214 PolarHBondContact OD1-N 3.06Å; K214-V216 VanDerWaalsContact C-N 3.35Å; K214-H217 PolarHBondContact O-N 2.76Å; K214-Q218 PolarHBondContact O-N 3.23Å
215	G	82.4	Confident	71.3	Confident	41 Å²	41	76.2 Å²	76.2	42%	0.423	41%	0.409	S	S	.	.	H	α-helix	trans	-64.1	-38.7	175.7	0	0	0	0	0	112.4	D212 Q218 R219	D212-G215 WeakPolarHBondContact O-CA 3.22Å; D212-G215 PolarHBondContact O-N 3.07Å; G215-Q218 PolarHBondContact O-N 2.89Å; G215-R219 WeakPolarHBondContact O-CB 3.45Å; G215-R219 PolarHBondContact O-N 2.92Å
216	V	83.5	Confident	73.3	Confident	3 Å²	3	68.6 Å²	68.6	2%	0.018	37%	0.373	C	S	.	.	H	α-helix	trans	-64.8	-40.8	174.2	-179.7	0	0	0	0	111.3	L211 D212 K214 R219 I220 D250 Y254	L211-V216 HydrophobicContact CB-CG2 3.9Å; L211-V216 HydrophobicContact CD1-CG2 4.34Å; L211-V216 HydrophobicContact CD2-CG2 4.24Å; L211-V216 HydrophobicContact CG-CG2 4.38Å; D212-V216 PolarHBondContact O-N 3.28Å; D212-V216 VanDerWaalsContact O-N 3.08Å; K214-V216 VanDerWaalsContact C-N 3.35Å; V216-R219 PolarHBondContact O-N 3.41Å; V216-I220 HydrophobicContact CG1-CD1 4.05Å; V216-I220 WeakPolarHBondContact O-CD1 3.4Å; V216-I220 VanDerWaalsContact O-CG1 3.26Å; V216-I220 WeakPolarHBondContact O-CG1 3.11Å; V216-I220 PolarHBondContact O-N 2.8Å; V216-D250 HydrophobicContact CG1-CB 4.18Å; V216-Y254 HydrophobicContact CG1-CD2 4.4Å
217	H	84.6	Confident	75.2	Confident	32 Å²	32	60.9 Å²	60.9	15%	0.148	34%	0.337	C	S	.	.	H	α-helix	trans	-65.2	-40.1	176.9	-173.9	73.3	0	0	0	112.6	L213 K214 I220 K221 Y254 E279	L213-H217 PolarHBondContact O-N 3.34Å; L213-H217 VanDerWaalsContact O-N 3.11Å; K214-H217 PolarHBondContact O-N 2.76Å; H217-I220 PolarHBondContact O-N 3.13Å; H217-K221 WeakPolarHBondContact NE2-CE 3.44Å; H217-K221 PolarHBondContact NE2-NZ 3.21Å; H217-K221 PolarHBondContact O-N 3.32Å; H217-K221 VanDerWaalsContact O-N 3.17Å; H217-Y254 HydrophobicContact CB-CD2 4.35Å; H217-Y254 HydrophobicContact CB-CE2 3.73Å; H217-Y254 AromaticContact ND1-CZ 3.73Å; H217-E279 IonicContact CE1-OE1 2.66Å
218	Q	86.4	Confident	76.9	Confident	97 Å²	97	63.2 Å²	63.2	45%	0.453	35%	0.349	S	S	.	.	H	α-helix	trans	-64.2	-45.7	174.2	-168.7	60.4	36.2	0	0	110.9	K214 G215 I220 K221 D222	K214-Q218 PolarHBondContact O-N 3.23Å; G215-Q218 PolarHBondContact O-N 2.89Å; Q218-I220 VanDerWaalsContact C-N 3.27Å; Q218-I220 PolarHBondContact O-N 3.4Å; Q218-K221 WeakPolarHBondContact O-CB 3.39Å; Q218-K221 PolarHBondContact O-N 3.11Å; Q218-D222 PolarHBondContact NE2-OD1 3.39Å; Q218-D222 PolarHBondContact O-N 3.12Å
219	R	87.8	Confident	78.6	Confident	45 Å²	45	64 Å²	64	17%	0.17	34%	0.344	C	S	.	.	H	α-helix	trans	-56	-39.3	174.4	-177.9	164.7	77.4	-157.6	-1.3	113.1	F196 G215 V216 N223 D250	F196-R219 HydrophobicContact CE2-CB 4.42Å; F196-R219 HydrophobicContact CE2-CG 3.7Å; F196-R219 HydrophobicContact CZ-CG 3.67Å; G215-R219 WeakPolarHBondContact O-CB 3.45Å; G215-R219 PolarHBondContact O-N 2.92Å; V216-R219 PolarHBondContact O-N 3.41Å; R219-N223 WeakPolarHBondContact O-CB 3.46Å; R219-N223 PolarHBondContact O-N 3.27Å; R219-D250 WeakPolarHBondContact CD-OD2 3.43Å; R219-D250 WeakPolarHBondContact CG-OD2 3.24Å; R219-D250 IonicContact CZ-OD1 3.62Å; R219-D250 VanDerWaalsContact CZ-OD1 3.27Å; R219-D250 IonicContact CZ-OD2 3.57Å; R219-D250 VanDerWaalsContact NE-CG 3.29Å; R219-D250 IonicContact NE-OD1 3.66Å; R219-D250 PolarHBondContact NE-OD1 2.97Å; R219-D250 IonicContact NE-OD2 2.76Å; R219-D250 PolarHBondContact NE-OD2 3.49Å; R219-D250 IonicContact NH2-OD1 3.75Å; R219-D250 PolarHBondContact NH2-OD1 3.06Å; R219-D250 IonicContact NH2-OD2 3.21Å
220	I	86.8	Confident	80.3	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-62.4	-46.8	175.1	-72.3	161	0	0	0	110.5	V216 H217 Q218 I224 L247 D250 L251 Y254 V275	V216-I220 HydrophobicContact CG1-CD1 4.05Å; V216-I220 WeakPolarHBondContact O-CD1 3.4Å; V216-I220 VanDerWaalsContact O-CG1 3.26Å; V216-I220 WeakPolarHBondContact O-CG1 3.11Å; V216-I220 PolarHBondContact O-N 2.8Å; H217-I220 PolarHBondContact O-N 3.13Å; Q218-I220 VanDerWaalsContact C-N 3.27Å; Q218-I220 PolarHBondContact O-N 3.4Å; I220-I224 HydrophobicContact CG2-CD1 3.74Å; I220-I224 WeakPolarHBondContact O-CB 3.38Å; I220-I224 WeakPolarHBondContact O-CD1 3.36Å; I220-I224 VanDerWaalsContact O-CG1 3.22Å; I220-I224 WeakPolarHBondContact O-CG1 3.14Å; I220-I224 PolarHBondContact O-N 2.59Å; I220-L247 HydrophobicContact CB-CD1 4.48Å; I220-L247 HydrophobicContact CG1-CD1 4.43Å; I220-L247 HydrophobicContact CG2-CD1 4Å; I220-D250 HydrophobicContact CD1-CB 4.11Å; I220-D250 HydrophobicContact CG1-CB 3.67Å; I220-L251 HydrophobicContact CD1-CD2 4.03Å; I220-L251 HydrophobicContact CG1-CD2 4.36Å; I220-L251 HydrophobicContact CG2-CD2 4Å; I220-Y254 HydrophobicContact CD1-CG 4.21Å; I220-V275 HydrophobicContact CG2-CG2 4.35Å
221	K	86.4	Confident	81.5	Confident	91 Å²	91	58.8 Å²	58.8	40%	0.396	32%	0.315	S	S	.	.	H	α-helix	trans	-62.4	-49	179	-72.5	179.2	176.6	168.6	0	111.7	H217 Q218 N223 I224 D225	H217-K221 WeakPolarHBondContact NE2-CE 3.44Å; H217-K221 PolarHBondContact NE2-NZ 3.21Å; H217-K221 PolarHBondContact O-N 3.32Å; H217-K221 VanDerWaalsContact O-N 3.17Å; Q218-K221 WeakPolarHBondContact O-CB 3.39Å; Q218-K221 PolarHBondContact O-N 3.11Å; K221-N223 VanDerWaalsContact C-N 3.32Å; K221-N223 PolarHBondContact O-N 3.44Å; K221-I224 PolarHBondContact O-N 3.06Å; K221-I224 VanDerWaalsContact O-N 3.14Å; K221-D225 PolarHBondContact O-N 3.28Å
222	D	86.3	Confident	82.3	Confident	49 Å²	49	59.2 Å²	59.2	26%	0.262	33%	0.329	S	S	.	.	H	α-helix	trans	-62.5	-42.1	-178.4	-56.1	-23.4	0	0	0	110.9	F196 Q218 I224 D225 V226	F196-D222 HydrophobicContact CB-CB 4.06Å; F196-D222 HydrophobicContact CD2-CB 3.54Å; F196-D222 HydrophobicContact CE2-CB 4.2Å; F196-D222 HydrophobicContact CG-CB 3.82Å; Q218-D222 PolarHBondContact NE2-OD1 3.39Å; Q218-D222 PolarHBondContact O-N 3.12Å; D222-I224 PolarHBondContact O-N 2.94Å; D222-D225 PolarHBondContact O-N 3.16Å; D222-V226 WeakPolarHBondContact O-CG2 3.41Å; D222-V226 PolarHBondContact O-N 3.34Å
223	N	85.9	Confident	82.4	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-64.3	-40	176.2	-168.2	-14.2	0	0	0	111.8	F196 R219 K221 V226 L227 Y243 L247	F196-N223 HydrophobicContact CD1-CB 4.41Å; F196-N223 HydrophobicContact CE1-CB 3.81Å; F196-N223 HydrophobicContact CZ-CB 4.16Å; R219-N223 WeakPolarHBondContact O-CB 3.46Å; R219-N223 PolarHBondContact O-N 3.27Å; K221-N223 VanDerWaalsContact C-N 3.32Å; K221-N223 PolarHBondContact O-N 3.44Å; N223-V226 PolarHBondContact O-N 2.87Å; N223-L227 WeakPolarHBondContact O-CB 3.27Å; N223-L227 VanDerWaalsContact O-CG 3.25Å; N223-L227 WeakPolarHBondContact O-CG 3.42Å; N223-L227 PolarHBondContact O-N 3.44Å; N223-L227 WeakPolarHBondContact OD1-CD1 3.5Å; N223-Y243 PolarHBondContact ND2-O 3.23Å; N223-L247 PolarHBondContact ND2-N 3.42Å
224	I	85.7	Confident	82.5	Confident	15 Å²	15	60.5 Å²	60.5	8%	0.077	32%	0.322	C	S	.	.	H	α-helix	trans	-64.7	-41.3	174.9	-70.7	167	0	0	0	111.1	I220 K221 D222 V226 L227 C228 L247 L271 V275	I220-I224 HydrophobicContact CG2-CD1 3.74Å; I220-I224 WeakPolarHBondContact O-CB 3.38Å; I220-I224 WeakPolarHBondContact O-CD1 3.36Å; I220-I224 VanDerWaalsContact O-CG1 3.22Å; I220-I224 WeakPolarHBondContact O-CG1 3.14Å; I220-I224 PolarHBondContact O-N 2.59Å; K221-I224 PolarHBondContact O-N 3.06Å; K221-I224 VanDerWaalsContact O-N 3.14Å; D222-I224 PolarHBondContact O-N 2.94Å; I224-V226 VanDerWaalsContact C-N 3.35Å; I224-V226 PolarHBondContact O-N 3.38Å; I224-L227 PolarHBondContact O-N 3.17Å; I224-C228 WeakPolarHBondContact O-CB 3.29Å; I224-C228 PolarHBondContact O-N 3.12Å; I224-C228 PolarHBondContact O-SG 3.19Å; I224-L247 HydrophobicContact CD1-CD1 4.32Å; I224-L247 HydrophobicContact CG1-CD1 4.05Å; I224-L247 HydrophobicContact CG1-CD2 4.2Å; I224-L271 HydrophobicContact CG2-CB 4.42Å; I224-V275 HydrophobicContact CD1-CG2 3.18Å
225	D	85.3	Confident	82.3	Confident	81 Å²	81	53.9 Å²	53.9	43%	0.433	29%	0.293	S	S	.	.	H	α-helix	trans	-63.3	-40.5	177.7	-77.5	-10.3	0	0	0	112	K221 D222 N229	K221-D225 PolarHBondContact O-N 3.28Å; D222-D225 PolarHBondContact O-N 3.16Å; D225-N229 PolarHBondContact O-N 3.46Å; D225-N229 VanDerWaalsContact O-N 3.09Å
226	V	84.9	Confident	81.7	Confident	3 Å²	3	61.3 Å²	61.3	2%	0.018	32%	0.317	C	S	.	.	H	α-helix	trans	-64.7	-43.7	172.2	174.1	0	0	0	0	111.2	F196 D222 N223 I224 C228 N229 F230 K233 Y243	F196-V226 HydrophobicContact CB-CG2 3.87Å; F196-V226 HydrophobicContact CD1-CG2 4.22Å; F196-V226 HydrophobicContact CG-CG2 4.47Å; D222-V226 WeakPolarHBondContact O-CG2 3.41Å; D222-V226 PolarHBondContact O-N 3.34Å; N223-V226 PolarHBondContact O-N 2.87Å; I224-V226 VanDerWaalsContact C-N 3.35Å; I224-V226 PolarHBondContact O-N 3.38Å; V226-C228 VanDerWaalsContact C-N 3.29Å; V226-C228 PolarHBondContact O-N 3.09Å; V226-N229 CarbonylContact O-C 3.55Å; V226-N229 PolarHBondContact O-N 3.26Å; V226-F230 VanDerWaalsContact O-CA 3.23Å; V226-F230 WeakPolarHBondContact O-CA 3.21Å; V226-F230 PolarHBondContact O-N 3.49Å; V226-K233 HydrophobicContact CG2-CB 4.15Å; V226-Y243 HydrophobicContact CG1-CD1 4.17Å; V226-Y243 HydrophobicContact CG1-CE1 3.81Å
227	L	83.1	Confident	81.1	Confident	4 Å²	4	65.3 Å²	65.3	2%	0.021	36%	0.359	C	S	.	.	H	α-helix	trans	-67.9	-27.9	-179.4	-75.6	171.6	0	0	0	113.3	N223 I224 R240 Y243 L244 L247 L271	N223-L227 WeakPolarHBondContact O-CB 3.27Å; N223-L227 VanDerWaalsContact O-CG 3.25Å; N223-L227 WeakPolarHBondContact O-CG 3.42Å; N223-L227 PolarHBondContact O-N 3.44Å; N223-L227 WeakPolarHBondContact OD1-CD1 3.5Å; I224-L227 PolarHBondContact O-N 3.17Å; L227-R240 HydrophobicContact CD2-CG 3.87Å; L227-R240 PolarHBondContact O-NH1 3.43Å; L227-Y243 HydrophobicContact CD2-CG 4.49Å; L227-L244 HydrophobicContact CD1-CD2 3.99Å; L227-L244 HydrophobicContact CD2-CD2 4.44Å; L227-L244 HydrophobicContact CD2-CG 4.42Å; L227-L247 HydrophobicContact CD1-CD2 3.88Å; L227-L271 HydrophobicContact CB-CD1 3.64Å; L227-L271 HydrophobicContact CD1-CD1 3.64Å; L227-L271 HydrophobicContact CG-CD1 4.21Å
228	C	81.9	Confident	80.7	Confident	74 Å²	74	67 Å²	67	50%	0.5	37%	0.366	S	S	.	.	H	α-helix	trans	-73.4	-42.2	171.8	-67.8	0	0	0	0	111.6	I224 V226	I224-C228 WeakPolarHBondContact O-CB 3.29Å; I224-C228 PolarHBondContact O-N 3.12Å; I224-C228 PolarHBondContact O-SG 3.19Å; V226-C228 VanDerWaalsContact C-N 3.29Å; V226-C228 PolarHBondContact O-N 3.09Å
229	N	80.6	Confident	80.6	Confident	89 Å²	89	64.7 Å²	64.7	48%	0.476	36%	0.364	S	S	.	.	S	Bend	trans	-110.3	51.8	-179.2	-69	-46.3	0	0	0	112.8	D225 V226 S231 A232 K233	D225-N229 PolarHBondContact O-N 3.46Å; D225-N229 VanDerWaalsContact O-N 3.09Å; V226-N229 CarbonylContact O-C 3.55Å; V226-N229 PolarHBondContact O-N 3.26Å; N229-S231 VanDerWaalsContact C-N 3.25Å; N229-S231 PolarHBondContact O-N 2.91Å; N229-S231 VanDerWaalsContact O-N 3.16Å; N229-A232 PolarHBondContact O-N 3.35Å; N229-A232 VanDerWaalsContact O-N 3.1Å; N229-K233 HydrophobicContact CB-CD 4.47Å; N229-K233 HydrophobicContact CB-CG 4.47Å; N229-K233 PolarHBondContact O-N 2.9Å; N229-K233 VanDerWaalsContact O-N 3.1Å
230	F	78.4	Confident	80.4	Confident	44 Å²	44	67.5 Å²	67.5	19%	0.193	37%	0.374	C	S	.	.	H	α-helix	trans	-62.7	-27.6	-169.3	-169.8	-100.9	0	0	0	114.2	V226 R234 R240 Y243	V226-F230 VanDerWaalsContact O-CA 3.23Å; V226-F230 WeakPolarHBondContact O-CA 3.21Å; V226-F230 PolarHBondContact O-N 3.49Å; F230-R234 HydrophobicContact CD2-CB 4.37Å; F230-R234 HydrophobicContact CE2-CB 4.16Å; F230-R234 HydrophobicContact CZ-CB 4.29Å; F230-R234 VanDerWaalsContact O-CB 3.27Å; F230-R234 WeakPolarHBondContact O-CB 3.35Å; F230-R234 WeakPolarHBondContact O-CD 3.34Å; F230-R234 VanDerWaalsContact O-CG 3.28Å; F230-R234 WeakPolarHBondContact O-CG 3.43Å; F230-R240 HydrophobicContact CD2-CG 4.49Å; F230-R240 HydrophobicContact CE1-CB 4.43Å; F230-R240 HydrophobicContact CE2-CB 3.85Å; F230-R240 HydrophobicContact CE2-CG 4.27Å; F230-R240 HydrophobicContact CZ-CB 3.82Å; F230-Y243 HydrophobicContact CE2-CD2 4.2Å; F230-Y243 HydrophobicContact CE2-CE2 4.35Å
231	S	72.6	Confident	80.4	Confident	115 Å²	115	72.4 Å²	72.4	80%	0.804	40%	0.404	S	S	*	.	H	α-helix	trans	-73.2	-29.1	178.5	55.3	0	0	0	0	113.4	N229	N229-S231 VanDerWaalsContact C-N 3.25Å; N229-S231 PolarHBondContact O-N 2.91Å; N229-S231 VanDerWaalsContact O-N 3.16Å
232	A	76.2	Confident	80.4	Confident	83 Å²	83	71.5 Å²	71.5	69%	0.686	40%	0.404	S	S	*	.	H	α-helix	trans	-101.4	-33.7	-171.5	0	0	0	0	0	113.2	N229	N229-A232 PolarHBondContact O-N 3.35Å; N229-A232 VanDerWaalsContact O-N 3.1Å
233	K	75	Confident	80.3	Confident	95 Å²	95	69.2 Å²	69.2	41%	0.413	39%	0.391	S	S	.	.	H	α-helix	trans	-112.4	7.2	-170.2	-63	-171	174.4	-170.7	0	114.7	V226 N229	V226-K233 HydrophobicContact CG2-CB 4.15Å; N229-K233 HydrophobicContact CB-CD 4.47Å; N229-K233 HydrophobicContact CB-CG 4.47Å; N229-K233 PolarHBondContact O-N 2.9Å; N229-K233 VanDerWaalsContact O-N 3.1Å
234	R	78.1	Confident	80.4	Confident	143 Å²	143	71.9 Å²	71.9	54%	0.54	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-73.4	144.6	179.1	67.5	178.3	-172.6	167.4	2.9	111.2	F230	F230-R234 HydrophobicContact CD2-CB 4.37Å; F230-R234 HydrophobicContact CE2-CB 4.16Å; F230-R234 HydrophobicContact CZ-CB 4.29Å; F230-R234 VanDerWaalsContact O-CB 3.27Å; F230-R234 WeakPolarHBondContact O-CB 3.35Å; F230-R234 WeakPolarHBondContact O-CD 3.34Å; F230-R234 VanDerWaalsContact O-CG 3.28Å; F230-R234 WeakPolarHBondContact O-CG 3.43Å
235	E	75.6	Confident	80.5	Confident	27 Å²	27	73.8 Å²	73.8	13%	0.126	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-72	143.7	164.6	-66	179	109.8	0	0	110.5	T195 R197 L198 G237 K238 Y243	T195-E235 HydrophobicContact CG2-CG 4.48Å; R197-E235 VanDerWaalsContact CA-CD 3.48Å; R197-E235 VanDerWaalsContact CA-OE1 3.22Å; R197-E235 WeakPolarHBondContact CA-OE1 3.32Å; R197-E235 WeakPolarHBondContact CB-OE1 3.41Å; R197-E235 WeakPolarHBondContact CG-OE1 3.41Å; L198-E235 PolarHBondContact N-OE2 3.19Å; E235-G237 PolarHBondContact O-N 3.26Å; E235-K238 HydrophobicContact CB-CD 4.48Å; E235-K238 IonicContact OE1-NZ 2.82Å; E235-K238 PolarHBondContact OE1-NZ 3.12Å; E235-K238 VanDerWaalsContact OE2-CD 3.27Å; E235-K238 WeakPolarHBondContact OE2-CD 3.46Å; E235-K238 WeakPolarHBondContact OE2-CE 3.22Å; E235-K238 IonicContact OE2-NZ 3.59Å; E235-K238 PolarHBondContact OE2-NZ 3.28Å; E235-Y243 WeakPolarHBondContact CG-OH 3.42Å; E235-Y243 PolarHBondContact N-OH 3.05Å; E235-Y243 PolarHBondContact OE2-OH 2.88Å
236	E	69.7	Low	80.6	Confident	196 Å²	196	70.8 Å²	70.8	92%	0.916	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	124.2	175.7	-66.9	-171.8	161	0	0	110.4
237	G	71.8	Confident	80.8	Confident	88 Å²	88	70.6 Å²	70.6	91%	0.907	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.7	-8.7	175.5	0	0	0	0	0	116.6	E235	E235-G237 PolarHBondContact O-N 3.26Å
238	K	77.3	Confident	81.1	Confident	67 Å²	67	72.1 Å²	72.1	29%	0.291	41%	0.409	S	S	.	.			trans	-93.9	136.1	175.8	-64.6	-170.5	-168.6	158.6	0	112	L198 E235 Y243	L198-K238 HydrophobicContact CB-CD 3.81Å; L198-K238 HydrophobicContact CD1-CB 4.15Å; L198-K238 HydrophobicContact CD1-CD 3.39Å; L198-K238 HydrophobicContact CD1-CG 4.33Å; L198-K238 HydrophobicContact CG-CD 4.07Å; L198-K238 PolarHBondContact O-NZ 3.1Å; E235-K238 HydrophobicContact CB-CD 4.48Å; E235-K238 IonicContact OE1-NZ 2.82Å; E235-K238 PolarHBondContact OE1-NZ 3.12Å; E235-K238 VanDerWaalsContact OE2-CD 3.27Å; E235-K238 WeakPolarHBondContact OE2-CD 3.46Å; E235-K238 WeakPolarHBondContact OE2-CE 3.22Å; E235-K238 IonicContact OE2-NZ 3.59Å; E235-K238 PolarHBondContact OE2-NZ 3.28Å; K238-Y243 HydrophobicContact CB-CE2 3.98Å
239	A	83.5	Confident	81.4	Confident	49 Å²	49	75.1 Å²	75.1	41%	0.405	41%	0.414	S	S	.	.			trans	-85.4	153.2	-179.7	0	0	0	0	0	110.6	V241 D242	A239-V241 PolarHBondContact O-N 2.8Å; A239-D242 PolarHBondContact N-OD2 3.47Å; A239-D242 WeakPolarHBondContact O-CB 3.43Å; A239-D242 PolarHBondContact O-N 2.76Å
240	R	83.1	Confident	81.8	Confident	104 Å²	104	71 Å²	71	39%	0.392	39%	0.392	S	S	.	.	H	α-helix	trans	-55.1	-28.7	173.9	-173.8	177.8	176.6	94.5	0.7	112.6	L227 F230 D242 Y243 L244	L227-R240 HydrophobicContact CD2-CG 3.87Å; L227-R240 PolarHBondContact O-NH1 3.43Å; F230-R240 HydrophobicContact CD2-CG 4.49Å; F230-R240 HydrophobicContact CE1-CB 4.43Å; F230-R240 HydrophobicContact CE2-CB 3.85Å; F230-R240 HydrophobicContact CE2-CG 4.27Å; F230-R240 HydrophobicContact CZ-CB 3.82Å; R240-D242 VanDerWaalsContact C-N 3.28Å; R240-D242 PolarHBondContact O-N 3.45Å; R240-Y243 PolarHBondContact O-N 3.18Å; R240-L244 HydrophobicContact CG-CD1 4.25Å; R240-L244 WeakPolarHBondContact O-CG 3.49Å; R240-L244 PolarHBondContact O-N 2.79Å; R240-L244 VanDerWaalsContact O-N 3.12Å
241	V	86.1	Confident	82.4	Confident	104 Å²	104	69 Å²	69	63%	0.63	38%	0.383	S	S	*	.	H	α-helix	trans	-62.5	-36.6	178.6	-176.5	0	0	0	0	111.4	A239 L244 S245	A239-V241 PolarHBondContact O-N 2.8Å; V241-L244 PolarHBondContact O-N 3.04Å; V241-S245 WeakPolarHBondContact O-CB 3.45Å; V241-S245 PolarHBondContact O-N 3.25Å
242	D	86.7	Confident	83.2	Confident	72 Å²	72	64.7 Å²	64.7	39%	0.385	35%	0.352	S	S	.	.	H	α-helix	trans	-68.3	-46.2	-177.9	-54.4	-37	0	0	0	110.4	L198 A239 R240 L244 S245 L246	L198-D242 HydrophobicContact CD1-CB 4.02Å; A239-D242 PolarHBondContact N-OD2 3.47Å; A239-D242 WeakPolarHBondContact O-CB 3.43Å; A239-D242 PolarHBondContact O-N 2.76Å; R240-D242 VanDerWaalsContact C-N 3.28Å; R240-D242 PolarHBondContact O-N 3.45Å; D242-L244 PolarHBondContact O-N 3.41Å; D242-S245 PolarHBondContact O-N 3.26Å; D242-S245 PolarHBondContact O-OG 3.46Å; D242-L246 PolarHBondContact O-N 3.34Å
243	Y	85.7	Confident	83.7	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-58.5	-43.3	173.7	-72	-84.2	0	0	0	112.7	F196 L198 N223 V226 L227 F230 E235 K238 R240 L246 L247	F196-Y243 HydrophobicContact CD1-CD1 4.47Å; F196-Y243 HydrophobicContact CD1-CE1 4.05Å; F196-Y243 HydrophobicContact CE1-CD1 4.32Å; F196-Y243 HydrophobicContact CE1-CE1 4.23Å; L198-Y243 HydrophobicContact CD1-CD1 3.67Å; L198-Y243 HydrophobicContact CD1-CD2 3.61Å; L198-Y243 HydrophobicContact CD1-CE1 3.53Å; L198-Y243 HydrophobicContact CD1-CE2 3.48Å; L198-Y243 VanDerWaalsContact CD1-CE2 3.48Å; L198-Y243 HydrophobicContact CD1-CG 3.7Å; L198-Y243 VanDerWaalsContact CD1-CZ 3.42Å; L198-Y243 HydrophobicContact CD2-CD1 3.54Å; L198-Y243 HydrophobicContact CD2-CE1 3.78Å; L198-Y243 HydrophobicContact CD2-CG 4.09Å; L198-Y243 HydrophobicContact CG-CD1 3.64Å; L198-Y243 HydrophobicContact CG-CD2 4.48Å; L198-Y243 HydrophobicContact CG-CE1 3.36Å; L198-Y243 HydrophobicContact CG-CE2 4.27Å; L198-Y243 HydrophobicContact CG-CG 4.18Å; N223-Y243 PolarHBondContact ND2-O 3.23Å; V226-Y243 HydrophobicContact CG1-CD1 4.17Å; V226-Y243 HydrophobicContact CG1-CE1 3.81Å; L227-Y243 HydrophobicContact CD2-CG 4.49Å; F230-Y243 HydrophobicContact CE2-CD2 4.2Å; F230-Y243 HydrophobicContact CE2-CE2 4.35Å; E235-Y243 WeakPolarHBondContact CG-OH 3.42Å; E235-Y243 PolarHBondContact N-OH 3.05Å; E235-Y243 PolarHBondContact OE2-OH 2.88Å; K238-Y243 HydrophobicContact CB-CE2 3.98Å; R240-Y243 PolarHBondContact O-N 3.18Å; Y243-L246 PolarHBondContact O-N 2.9Å; Y243-L247 WeakPolarHBondContact O-CB 3.45Å; Y243-L247 PolarHBondContact O-N 3.41Å
244	L	87.4	Confident	84.4	Confident	56 Å²	56	63.6 Å²	63.6	29%	0.293	34%	0.338	S	S	.	.	H	α-helix	trans	-65.2	-39.3	176.4	-72.5	171.7	0	0	0	112.1	L227 R240 V241 D242 L247 K248 L271	L227-L244 HydrophobicContact CD1-CD2 3.99Å; L227-L244 HydrophobicContact CD2-CD2 4.44Å; L227-L244 HydrophobicContact CD2-CG 4.42Å; R240-L244 HydrophobicContact CG-CD1 4.25Å; R240-L244 WeakPolarHBondContact O-CG 3.49Å; R240-L244 PolarHBondContact O-N 2.79Å; R240-L244 VanDerWaalsContact O-N 3.12Å; V241-L244 PolarHBondContact O-N 3.04Å; D242-L244 PolarHBondContact O-N 3.41Å; L244-L247 PolarHBondContact O-N 3.02Å; L244-K248 WeakPolarHBondContact O-CB 3.35Å; L244-K248 PolarHBondContact O-N 2.72Å; L244-L271 HydrophobicContact CD2-CD1 4.46Å
245	S	87.8	Confident	84.9	Confident	55 Å²	55	57.3 Å²	57.3	39%	0.385	31%	0.314	S	S	.	.	H	α-helix	trans	-66.3	-38.9	178	79.2	0	0	0	0	112.2	V241 D242 K248 K249	V241-S245 WeakPolarHBondContact O-CB 3.45Å; V241-S245 PolarHBondContact O-N 3.25Å; D242-S245 PolarHBondContact O-N 3.26Å; D242-S245 PolarHBondContact O-OG 3.46Å; S245-K248 PolarHBondContact O-N 3.04Å; S245-K249 WeakPolarHBondContact O-CG 3.4Å; S245-K249 PolarHBondContact O-N 3.26Å
246	L	87.9	Confident	85.5	Confident	18 Å²	18	59.9 Å²	59.9	9%	0.094	34%	0.335	C	S	.	.	H	α-helix	trans	-66.4	-48.6	174.1	-178.6	66.8	0	0	0	110.7	F196 L198 P199 D242 Y243 K248 K249 D250	F196-L246 HydrophobicContact CE1-CD2 4.38Å; F196-L246 HydrophobicContact CZ-CD2 4.04Å; L198-L246 HydrophobicContact CD2-CB 4.04Å; L198-L246 HydrophobicContact CD2-CD2 3.28Å; L198-L246 HydrophobicContact CD2-CG 4.29Å; P199-L246 HydrophobicContact CG-CD2 4.49Å; D242-L246 PolarHBondContact O-N 3.34Å; Y243-L246 PolarHBondContact O-N 2.9Å; L246-K248 PolarHBondContact O-N 3Å; L246-K249 PolarHBondContact O-N 3.36Å; L246-K249 VanDerWaalsContact O-N 3.09Å; L246-D250 VanDerWaalsContact O-CG 3.26Å; L246-D250 PolarHBondContact O-N 3.43Å
247	L	88.3	Confident	86.5	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-56.8	-40.9	177.9	-177.3	64.6	0	0	0	111.2	I220 N223 I224 L227 Y243 L244 D250 L251 M266 L271	I220-L247 HydrophobicContact CB-CD1 4.48Å; I220-L247 HydrophobicContact CG1-CD1 4.43Å; I220-L247 HydrophobicContact CG2-CD1 4Å; N223-L247 PolarHBondContact ND2-N 3.42Å; I224-L247 HydrophobicContact CD1-CD1 4.32Å; I224-L247 HydrophobicContact CG1-CD1 4.05Å; I224-L247 HydrophobicContact CG1-CD2 4.2Å; L227-L247 HydrophobicContact CD1-CD2 3.88Å; Y243-L247 WeakPolarHBondContact O-CB 3.45Å; Y243-L247 PolarHBondContact O-N 3.41Å; L244-L247 PolarHBondContact O-N 3.02Å; L247-D250 PolarHBondContact O-N 2.68Å; L247-L251 HydrophobicContact CD1-CD1 4.14Å; L247-L251 HydrophobicContact CD1-CG 4.09Å; L247-L251 HydrophobicContact CG-CD1 3.93Å; L247-L251 HydrophobicContact CG-CG 4.28Å; L247-L251 WeakPolarHBondContact O-CB 3.38Å; L247-L251 VanDerWaalsContact O-CG 3.25Å; L247-L251 WeakPolarHBondContact O-CG 3.43Å; L247-L251 PolarHBondContact O-N 3Å; L247-M266 HydrophobicContact CB-CE 4.21Å; L247-M266 HydrophobicContact CD2-CE 3.88Å; L247-M266 HydrophobicContact CG-CE 3.78Å; L247-L271 HydrophobicContact CD2-CD2 3.97Å
248	K	89.8	Confident	87.4	Confident	35 Å²	35	49 Å²	49	15%	0.152	26%	0.262	C	S	.	.	H	α-helix	trans	-58.8	-50	176.3	-165.7	-169.5	-159	-172.1	0	111.2	L244 S245 L246 D250 C252 E259 V262 E263 M266	L244-K248 WeakPolarHBondContact O-CB 3.35Å; L244-K248 PolarHBondContact O-N 2.72Å; S245-K248 PolarHBondContact O-N 3.04Å; L246-K248 PolarHBondContact O-N 3Å; K248-D250 VanDerWaalsContact C-N 3.33Å; K248-D250 PolarHBondContact O-N 2.84Å; K248-C252 WeakPolarHBondContact O-CB 3.17Å; K248-C252 PolarHBondContact O-N 2.92Å; K248-C252 PolarHBondContact O-SG 2.8Å; K248-E259 HydrophobicContact CD-CG 3.82Å; K248-E259 WeakPolarHBondContact CE-O 3.5Å; K248-E259 WeakPolarHBondContact CE-OE1 3.36Å; K248-E259 HydrophobicContact CG-CG 4.4Å; K248-E259 VanDerWaalsContact NZ-CG 3.26Å; K248-E259 IonicContact NZ-OE1 3.17Å; K248-E259 PolarHBondContact NZ-OE1 2.97Å; K248-V262 HydrophobicContact CG-CG1 4.21Å; K248-E263 IonicContact NZ-OE2 2.9Å; K248-E263 PolarHBondContact NZ-OE2 2.94Å; K248-M266 HydrophobicContact CB-CE 4.12Å
249	K	88.9	Confident	87.9	Confident	137 Å²	137	51.3 Å²	51.3	60%	0.596	27%	0.273	S	S	*	.	H	α-helix	trans	-61.7	-41.9	178.5	-71.2	175.7	-179.1	176.6	0	111.8	S245 L246 C252 T253	S245-K249 WeakPolarHBondContact O-CG 3.4Å; S245-K249 PolarHBondContact O-N 3.26Å; L246-K249 PolarHBondContact O-N 3.36Å; L246-K249 VanDerWaalsContact O-N 3.09Å; K249-C252 PolarHBondContact O-N 3.37Å; K249-T253 WeakPolarHBondContact O-CB 3.44Å; K249-T253 PolarHBondContact O-N 2.98Å; K249-T253 PolarHBondContact O-OG1 3Å
250	D	89.1	Confident	88.3	Confident	3 Å²	3	50.6 Å²	50.6	2%	0.016	26%	0.261	C	S	.	.	H	α-helix	trans	-66.9	-45.5	-178.9	-68.6	-13.4	0	0	0	112	V216 R219 I220 L246 L247 K248 C252 T253 Y254	V216-D250 HydrophobicContact CG1-CB 4.18Å; R219-D250 WeakPolarHBondContact CD-OD2 3.43Å; R219-D250 WeakPolarHBondContact CG-OD2 3.24Å; R219-D250 IonicContact CZ-OD1 3.62Å; R219-D250 VanDerWaalsContact CZ-OD1 3.27Å; R219-D250 IonicContact CZ-OD2 3.57Å; R219-D250 VanDerWaalsContact NE-CG 3.29Å; R219-D250 IonicContact NE-OD1 3.66Å; R219-D250 PolarHBondContact NE-OD1 2.97Å; R219-D250 IonicContact NE-OD2 2.76Å; R219-D250 PolarHBondContact NE-OD2 3.49Å; R219-D250 IonicContact NH2-OD1 3.75Å; R219-D250 PolarHBondContact NH2-OD1 3.06Å; R219-D250 IonicContact NH2-OD2 3.21Å; I220-D250 HydrophobicContact CD1-CB 4.11Å; I220-D250 HydrophobicContact CG1-CB 3.67Å; L246-D250 VanDerWaalsContact O-CG 3.26Å; L246-D250 PolarHBondContact O-N 3.43Å; L247-D250 PolarHBondContact O-N 2.68Å; K248-D250 VanDerWaalsContact C-N 3.33Å; K248-D250 PolarHBondContact O-N 2.84Å; D250-C252 VanDerWaalsContact C-N 3.35Å; D250-C252 PolarHBondContact O-N 3.4Å; D250-T253 PolarHBondContact O-N 3.45Å; D250-Y254 VanDerWaalsContact O-CB 3.32Å; D250-Y254 WeakPolarHBondContact O-CB 3.45Å; D250-Y254 PolarHBondContact O-N 2.88Å
251	L	89.3	Confident	88.6	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-64.3	-39.6	176.1	-69.6	176.8	0	0	0	112	I220 L247 T253 Y255 V262 M266 L274 L278	I220-L251 HydrophobicContact CD1-CD2 4.03Å; I220-L251 HydrophobicContact CG1-CD2 4.36Å; I220-L251 HydrophobicContact CG2-CD2 4Å; L247-L251 HydrophobicContact CD1-CD1 4.14Å; L247-L251 HydrophobicContact CD1-CG 4.09Å; L247-L251 HydrophobicContact CG-CD1 3.93Å; L247-L251 HydrophobicContact CG-CG 4.28Å; L247-L251 WeakPolarHBondContact O-CB 3.38Å; L247-L251 VanDerWaalsContact O-CG 3.25Å; L247-L251 WeakPolarHBondContact O-CG 3.43Å; L247-L251 PolarHBondContact O-N 3Å; L251-T253 VanDerWaalsContact C-N 3.32Å; L251-T253 PolarHBondContact O-N 2.98Å; L251-Y255 HydrophobicContact CD2-CD2 3.98Å; L251-Y255 HydrophobicContact CD2-CE2 3.71Å; L251-Y255 PolarHBondContact O-N 3.27Å; L251-V262 HydrophobicContact CB-CG1 4.14Å; L251-V262 HydrophobicContact CD1-CG1 4.13Å; L251-M266 HydrophobicContact CD1-CE 3.65Å; L251-L274 HydrophobicContact CD1-CD2 3.95Å; L251-L278 HydrophobicContact CD1-CD1 4.29Å; L251-L278 HydrophobicContact CD2-CD1 3.83Å
252	C	89.8	Confident	88.8	Confident	25 Å²	25	40.9 Å²	40.9	17%	0.169	21%	0.214	C	C	.	.	H	α-helix	trans	-61.9	-42.5	174.8	-67.6	0	0	0	0	111.3	K248 K249 D250 S256 Y257	K248-C252 WeakPolarHBondContact O-CB 3.17Å; K248-C252 PolarHBondContact O-N 2.92Å; K248-C252 PolarHBondContact O-SG 2.8Å; K249-C252 PolarHBondContact O-N 3.37Å; D250-C252 VanDerWaalsContact C-N 3.35Å; D250-C252 PolarHBondContact O-N 3.4Å; C252-S256 WeakPolarHBondContact O-CA 3.39Å; C252-S256 PolarHBondContact O-N 3.11Å; C252-Y257 PolarHBondContact O-N 3.05Å
253	T	88.1	Confident	89	Confident	79 Å²	79	42 Å²	42	49%	0.485	22%	0.216	S	C	.	.	H	α-helix	trans	-71.1	-45.1	-178.6	-54	0	0	0	0	111.7	K249 D250 L251	K249-T253 WeakPolarHBondContact O-CB 3.44Å; K249-T253 PolarHBondContact O-N 2.98Å; K249-T253 PolarHBondContact O-OG1 3Å; D250-T253 PolarHBondContact O-N 3.45Å; L251-T253 VanDerWaalsContact C-N 3.32Å; L251-T253 PolarHBondContact O-N 2.98Å
254	Y	89.1	Confident	89.2	Confident	77 Å²	77	43.8 Å²	43.8	30%	0.302	22%	0.224	S	C	.	.	H	α-helix	trans	-71.4	-47.6	-175.6	-173.1	-93.7	0	0	0	112.6	L213 V216 H217 I220 D250	L213-Y254 HydrophobicContact CD2-CD2 4.44Å; L213-Y254 WeakPolarHBondContact O-CE2 3.37Å; V216-Y254 HydrophobicContact CG1-CD2 4.4Å; H217-Y254 HydrophobicContact CB-CD2 4.35Å; H217-Y254 HydrophobicContact CB-CE2 3.73Å; H217-Y254 AromaticContact ND1-CZ 3.73Å; I220-Y254 HydrophobicContact CD1-CG 4.21Å; D250-Y254 VanDerWaalsContact O-CB 3.32Å; D250-Y254 WeakPolarHBondContact O-CB 3.45Å; D250-Y254 PolarHBondContact O-N 2.88Å
255	Y	87.4	Confident	89.4	Confident	10 Å²	10	41.1 Å²	41.1	4%	0.039	21%	0.21	C	C	.	.	H	α-helix	trans	-96.2	-1.4	-176.1	-63.6	-77.4	0	0	0	114	L251 Y257 L278 E279 E282	L251-Y255 HydrophobicContact CD2-CD2 3.98Å; L251-Y255 HydrophobicContact CD2-CE2 3.71Å; L251-Y255 PolarHBondContact O-N 3.27Å; Y255-Y257 VanDerWaalsContact C-N 3.32Å; Y255-Y257 VanDerWaalsContact CB-CD2 3.43Å; Y255-Y257 WeakPolarHBondContact O-CD2 3.45Å; Y255-Y257 PolarHBondContact O-N 2.93Å; Y255-L278 HydrophobicContact CD1-CB 4.3Å; Y255-L278 HydrophobicContact CD2-CB 4.23Å; Y255-L278 HydrophobicContact CD2-CD1 3.86Å; Y255-L278 HydrophobicContact CE1-CB 4.04Å; Y255-L278 HydrophobicContact CE2-CB 3.98Å; Y255-L278 HydrophobicContact CE2-CD1 3.84Å; Y255-L278 HydrophobicContact CG-CB 4.39Å; Y255-E279 HydrophobicContact CE1-CG 4.39Å; Y255-E279 WeakPolarHBondContact OH-CG 3.07Å; Y255-E282 HydrophobicContact CD1-CG 3.88Å; Y255-E282 HydrophobicContact CE1-CG 4.14Å
256	S	89.4	Confident	89.5	Confident	82 Å²	82	40.2 Å²	40.2	57%	0.573	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.8	40.4	-177	-57	0	0	0	0	113.8	C252	C252-S256 WeakPolarHBondContact O-CA 3.39Å; C252-S256 PolarHBondContact O-N 3.11Å
257	Y	89.3	Confident	89.6	Confident	12 Å²	12	42 Å²	42	5%	0.047	21%	0.21	C	C	.	.			trans	-89.4	154.9	176.9	-87	-112.9	0	0	0	112.2	C252 Y255 L261 V262 L265 L278 I446 K453	C252-Y257 PolarHBondContact O-N 3.05Å; Y255-Y257 VanDerWaalsContact C-N 3.32Å; Y255-Y257 VanDerWaalsContact CB-CD2 3.43Å; Y255-Y257 WeakPolarHBondContact O-CD2 3.45Å; Y255-Y257 PolarHBondContact O-N 2.93Å; Y257-L261 HydrophobicContact CD1-CB 4.34Å; Y257-L261 HydrophobicContact CD1-CD2 3.56Å; Y257-L261 HydrophobicContact CD1-CG 3.92Å; Y257-L261 HydrophobicContact CE1-CD2 3.69Å; Y257-L261 HydrophobicContact CE1-CG 4.23Å; Y257-V262 HydrophobicContact CD1-CG2 4.49Å; Y257-V262 HydrophobicContact CG-CG2 4.25Å; Y257-L265 HydrophobicContact CD1-CD1 4.29Å; Y257-L265 HydrophobicContact CE1-CD1 3.96Å; Y257-L278 HydrophobicContact CD2-CD2 4.4Å; Y257-L278 HydrophobicContact CE1-CD2 4.03Å; Y257-L278 HydrophobicContact CE2-CD2 3.86Å; Y257-I446 HydrophobicContact CE1-CD1 4.07Å; Y257-K453 HydrophobicContact CD1-CB 4.45Å; Y257-K453 HydrophobicContact CD1-CG 4.43Å; Y257-K453 HydrophobicContact CD2-CD 3.96Å; Y257-K453 HydrophobicContact CD2-CG 4.27Å; Y257-K453 HydrophobicContact CE1-CG 4.1Å; Y257-K453 HydrophobicContact CE2-CD 3.6Å; Y257-K453 HydrophobicContact CE2-CG 3.96Å; Y257-K453 HydrophobicContact CG-CB 4.42Å
258	N	90.7	Very high	89.7	Confident	44 Å²	44	42.7 Å²	42.7	24%	0.235	21%	0.214	C	C	.	.			trans	-66.9	140.3	165.1	-169.8	0.5	0	0	0	110.5	F260 L261 V262 K453 K456 D457	N258-F260 PolarHBondContact O-N 2.76Å; N258-L261 HydrophobicContact CB-CB 4.44Å; N258-L261 PolarHBondContact O-N 2.84Å; N258-V262 PolarHBondContact O-N 2.91Å; N258-V262 VanDerWaalsContact O-N 3.13Å; N258-K453 WeakPolarHBondContact CB-O 3.39Å; N258-K453 PolarHBondContact N-O 2.87Å; N258-K456 PolarHBondContact ND2-O 3.24Å; N258-D457 PolarHBondContact ND2-OD1 3.11Å
259	E	89.5	Confident	89.6	Confident	114 Å²	114	41.5 Å²	41.5	53%	0.533	21%	0.208	S	C	.	.	H	α-helix	trans	-54.9	-40.9	178.6	-174.9	179	174.9	0	0	111.9	K248 L261 V262 E263	K248-E259 HydrophobicContact CD-CG 3.82Å; K248-E259 WeakPolarHBondContact CE-O 3.5Å; K248-E259 WeakPolarHBondContact CE-OE1 3.36Å; K248-E259 HydrophobicContact CG-CG 4.4Å; K248-E259 VanDerWaalsContact NZ-CG 3.26Å; K248-E259 IonicContact NZ-OE1 3.17Å; K248-E259 PolarHBondContact NZ-OE1 2.97Å; E259-L261 PolarHBondContact O-N 2.87Å; E259-V262 PolarHBondContact O-N 3.23Å; E259-E263 PolarHBondContact O-N 3.08Å; E259-E263 VanDerWaalsContact O-N 3.12Å
260	F	90.6	Very high	89.6	Confident	34 Å²	34	38.4 Å²	38.4	15%	0.149	20%	0.203	C	C	.	.	H	α-helix	trans	-59.9	-44	176.5	167.4	-105.8	0	0	0	112.6	N258 E263 K264 E458 I461	N258-F260 PolarHBondContact O-N 2.76Å; F260-E263 PolarHBondContact O-N 2.94Å; F260-K264 HydrophobicContact CD2-CG 4.4Å; F260-K264 HydrophobicContact CE1-CG 4.36Å; F260-K264 HydrophobicContact CE2-CD 4.26Å; F260-K264 HydrophobicContact CE2-CG 3.83Å; F260-K264 HydrophobicContact CZ-CD 4.35Å; F260-K264 HydrophobicContact CZ-CG 3.79Å; F260-K264 WeakPolarHBondContact O-CG 3.33Å; F260-K264 PolarHBondContact O-N 3.49Å; F260-K264 VanDerWaalsContact O-N 3.16Å; F260-E458 HydrophobicContact CD2-CB 4.07Å; F260-E458 HydrophobicContact CE1-CB 4.24Å; F260-E458 VanDerWaalsContact CE1-N 3.34Å; F260-E458 HydrophobicContact CE2-CB 3.38Å; F260-E458 HydrophobicContact CE2-CG 3.7Å; F260-E458 HydrophobicContact CZ-CB 3.49Å; F260-E458 VanDerWaalsContact CZ-CB 3.49Å; F260-E458 HydrophobicContact CZ-CG 3.84Å; F260-I461 HydrophobicContact CE1-CD1 3.62Å; F260-I461 HydrophobicContact CZ-CD1 3.93Å
261	L	89.3	Confident	89.5	Confident	3 Å²	3	39.4 Å²	39.4	2%	0.016	21%	0.208	C	C	.	.	H	α-helix	trans	-70.8	-40.9	-176.3	-174.3	57.9	0	0	0	110.7	Y257 N258 E259 E263 K264 L265 T443 I446 M497	Y257-L261 HydrophobicContact CD1-CB 4.34Å; Y257-L261 HydrophobicContact CD1-CD2 3.56Å; Y257-L261 HydrophobicContact CD1-CG 3.92Å; Y257-L261 HydrophobicContact CE1-CD2 3.69Å; Y257-L261 HydrophobicContact CE1-CG 4.23Å; N258-L261 HydrophobicContact CB-CB 4.44Å; N258-L261 PolarHBondContact O-N 2.84Å; E259-L261 PolarHBondContact O-N 2.87Å; L261-E263 VanDerWaalsContact C-N 3.31Å; L261-E263 PolarHBondContact O-N 3.23Å; L261-K264 PolarHBondContact O-N 2.71Å; L261-L265 HydrophobicContact CD1-CG 4.5Å; L261-L265 HydrophobicContact CG-CD1 4.21Å; L261-L265 HydrophobicContact CG-CG 4.5Å; L261-L265 VanDerWaalsContact O-CG 3.23Å; L261-L265 WeakPolarHBondContact O-CG 3.26Å; L261-L265 PolarHBondContact O-N 3.07Å; L261-T443 HydrophobicContact CD1-CG2 4.24Å; L261-I446 HydrophobicContact CD2-CD1 4.43Å; L261-M497 HydrophobicContact CD1-CE 3.37Å
262	V	91	Very high	89.3	Confident	2 Å²	2	42.8 Å²	42.8	1%	0.012	23%	0.232	C	C	.	.	H	α-helix	trans	-59.9	-43	175.4	176.4	0	0	0	0	111	K248 L251 Y257 N258 E259 K264 L265 M266	K248-V262 HydrophobicContact CG-CG1 4.21Å; L251-V262 HydrophobicContact CB-CG1 4.14Å; L251-V262 HydrophobicContact CD1-CG1 4.13Å; Y257-V262 HydrophobicContact CD1-CG2 4.49Å; Y257-V262 HydrophobicContact CG-CG2 4.25Å; N258-V262 PolarHBondContact O-N 2.91Å; N258-V262 VanDerWaalsContact O-N 3.13Å; E259-V262 PolarHBondContact O-N 3.23Å; V262-K264 PolarHBondContact O-N 2.84Å; V262-L265 PolarHBondContact O-N 2.75Å; V262-L265 VanDerWaalsContact O-N 3.17Å; V262-M266 HydrophobicContact CG1-CE 3.85Å; V262-M266 HydrophobicContact CG1-CG 4.33Å; V262-M266 HydrophobicContact CG1-SD 4.35Å; V262-M266 WeakPolarHBondContact O-CG 3.44Å; V262-M266 PolarHBondContact O-N 3.18Å
263	E	91.1	Very high	89.3	Confident	95 Å²	95	43.1 Å²	43.1	44%	0.444	23%	0.231	S	C	.	.	H	α-helix	trans	-59.1	-46.7	177	-169.5	171.5	160.2	0	0	112	K248 E259 F260 L261 L265 M266 D267	K248-E263 IonicContact NZ-OE2 2.9Å; K248-E263 PolarHBondContact NZ-OE2 2.94Å; E259-E263 PolarHBondContact O-N 3.08Å; E259-E263 VanDerWaalsContact O-N 3.12Å; F260-E263 PolarHBondContact O-N 2.94Å; L261-E263 VanDerWaalsContact C-N 3.31Å; L261-E263 PolarHBondContact O-N 3.23Å; E263-L265 VanDerWaalsContact C-N 3.3Å; E263-L265 PolarHBondContact O-N 3.28Å; E263-M266 PolarHBondContact O-N 3.44Å; E263-D267 PolarHBondContact O-N 3.23Å
264	K	90.2	Very high	89.4	Confident	37 Å²	37	39.5 Å²	39.5	16%	0.161	21%	0.208	C	C	.	.	H	α-helix	trans	-64.8	-32	176.3	-68.4	-70.5	-176.4	169	0	113.1	F260 L261 V262 D267 L268 E458 M497 E499	F260-K264 HydrophobicContact CD2-CG 4.4Å; F260-K264 HydrophobicContact CE1-CG 4.36Å; F260-K264 HydrophobicContact CE2-CD 4.26Å; F260-K264 HydrophobicContact CE2-CG 3.83Å; F260-K264 HydrophobicContact CZ-CD 4.35Å; F260-K264 HydrophobicContact CZ-CG 3.79Å; F260-K264 WeakPolarHBondContact O-CG 3.33Å; F260-K264 PolarHBondContact O-N 3.49Å; F260-K264 VanDerWaalsContact O-N 3.16Å; L261-K264 PolarHBondContact O-N 2.71Å; V262-K264 PolarHBondContact O-N 2.84Å; K264-D267 WeakPolarHBondContact O-CB 3.46Å; K264-L268 PolarHBondContact O-N 3.01Å; K264-E458 IonicContact NZ-OE1 3.13Å; K264-M497 HydrophobicContact CB-SD 4.2Å; K264-E499 IonicContact NZ-OE1 3.49Å; K264-E499 PolarHBondContact NZ-OE1 3.35Å
265	L	91.1	Very high	89.4	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-74.6	-39.7	176.6	-67.9	173.8	0	0	0	112	Y257 L261 V262 E263 D267 L268 F269 L274 F277 L278 I496 M497	Y257-L265 HydrophobicContact CD1-CD1 4.29Å; Y257-L265 HydrophobicContact CE1-CD1 3.96Å; L261-L265 HydrophobicContact CD1-CG 4.5Å; L261-L265 HydrophobicContact CG-CD1 4.21Å; L261-L265 HydrophobicContact CG-CG 4.5Å; L261-L265 VanDerWaalsContact O-CG 3.23Å; L261-L265 WeakPolarHBondContact O-CG 3.26Å; L261-L265 PolarHBondContact O-N 3.07Å; V262-L265 PolarHBondContact O-N 2.75Å; V262-L265 VanDerWaalsContact O-N 3.17Å; E263-L265 VanDerWaalsContact C-N 3.3Å; E263-L265 PolarHBondContact O-N 3.28Å; L265-D267 PolarHBondContact O-N 2.67Å; L265-L268 PolarHBondContact O-N 3.49Å; L265-L268 VanDerWaalsContact O-N 3.07Å; L265-F269 HydrophobicContact CD2-CE2 4.11Å; L265-F269 PolarHBondContact O-N 3.42Å; L265-L274 HydrophobicContact CB-CD1 3.62Å; L265-F277 HydrophobicContact CD1-CE1 4.04Å; L265-F277 HydrophobicContact CD2-CD1 4.26Å; L265-F277 HydrophobicContact CD2-CE1 3.6Å; L265-F277 HydrophobicContact CD2-CZ 4.21Å; L265-F277 HydrophobicContact CG-CE1 4.46Å; L265-L278 HydrophobicContact CD1-CD2 4.01Å; L265-I496 HydrophobicContact CD2-CD1 3.43Å; L265-I496 VanDerWaalsContact CD2-CD1 3.43Å; L265-M497 HydrophobicContact CD2-CE 4.19Å
266	M	90.4	Very high	89.6	Confident	35 Å²	35	40.4 Å²	40.4	17%	0.172	22%	0.219	C	C	.	.	H	α-helix	trans	-60.5	-31.6	171.6	-73.7	-176.3	172.9	0	0	112.2	L247 K248 L251 V262 E263 L274	L247-M266 HydrophobicContact CB-CE 4.21Å; L247-M266 HydrophobicContact CD2-CE 3.88Å; L247-M266 HydrophobicContact CG-CE 3.78Å; K248-M266 HydrophobicContact CB-CE 4.12Å; L251-M266 HydrophobicContact CD1-CE 3.65Å; V262-M266 HydrophobicContact CG1-CE 3.85Å; V262-M266 HydrophobicContact CG1-CG 4.33Å; V262-M266 HydrophobicContact CG1-SD 4.35Å; V262-M266 WeakPolarHBondContact O-CG 3.44Å; V262-M266 PolarHBondContact O-N 3.18Å; E263-M266 PolarHBondContact O-N 3.44Å; M266-L274 HydrophobicContact CB-CD2 4.45Å; M266-L274 HydrophobicContact CG-CD2 3.61Å
267	D	90.1	Very high	89.7	Confident	55 Å²	55	36.5 Å²	36.5	29%	0.294	19%	0.192	S	C	.	.	H	α-helix	trans	-73.2	-27.8	174.8	-71	-39.2	0	0	0	113.7	E263 K264 L265 F531 K532	E263-D267 PolarHBondContact O-N 3.23Å; K264-D267 WeakPolarHBondContact O-CB 3.46Å; L265-D267 PolarHBondContact O-N 2.67Å; D267-F531 HydrophobicContact CB-CZ 4.25Å; D267-F531 WeakPolarHBondContact O-CE2 3.42Å; D267-K532 WeakPolarHBondContact OD1-CE 3.23Å; D267-K532 IonicContact OD1-NZ 3.55Å; D267-K532 PolarHBondContact OD1-NZ 3.49Å; D267-K532 WeakPolarHBondContact OD2-CE 3.34Å; D267-K532 IonicContact OD2-NZ 2.64Å; D267-K532 PolarHBondContact OD2-NZ 3.13Å
268	L	89.2	Confident	89.7	Confident	16 Å²	16	36 Å²	36	8%	0.084	19%	0.19	C	C	.	.	H	α-helix	trans	-88.6	-38	-172.4	-167.1	68.2	0	0	0	112.4	K264 L265 I496 V498 F528 F531 Y547	K264-L268 PolarHBondContact O-N 3.01Å; L265-L268 PolarHBondContact O-N 3.49Å; L265-L268 VanDerWaalsContact O-N 3.07Å; L268-I496 HydrophobicContact CD2-CB 4.21Å; L268-I496 HydrophobicContact CD2-CD1 3.96Å; L268-I496 HydrophobicContact CD2-CG1 4.38Å; L268-I496 WeakPolarHBondContact CD2-O 3.38Å; L268-V498 HydrophobicContact CD1-CG2 3.64Å; L268-F528 HydrophobicContact CD1-CE2 3.57Å; L268-F528 HydrophobicContact CD1-CZ 4.13Å; L268-F531 HydrophobicContact CD1-CE2 4.09Å; L268-Y547 HydrophobicContact CD2-CE1 4.46Å
269	F	89.3	Confident	89.7	Confident	9 Å²	9	37.2 Å²	37.2	4%	0.039	20%	0.195	C	C	.	.	S	Bend	trans	-118.3	147.3	-172.9	-60.2	-69.6	0	0	0	111.5	L265 E273 L274 F277 I496 Y547	L265-F269 HydrophobicContact CD2-CE2 4.11Å; L265-F269 PolarHBondContact O-N 3.42Å; F269-E273 HydrophobicContact CB-CB 4.43Å; F269-E273 HydrophobicContact CD1-CG 4.14Å; F269-L274 HydrophobicContact CB-CB 4.32Å; F269-L274 HydrophobicContact CD2-CD1 4.36Å; F269-F277 HydrophobicContact CD2-CD1 4.45Å; F269-F277 HydrophobicContact CD2-CG 4.36Å; F269-F277 HydrophobicContact CE2-CB 4.35Å; F269-F277 AromaticContact CE2-CD1 3.9Å; F269-F277 HydrophobicContact CE2-CD1 3.9Å; F269-F277 AromaticContact CE2-CD2 3.83Å; F269-F277 HydrophobicContact CE2-CD2 3.83Å; F269-F277 HydrophobicContact CE2-CE1 4.16Å; F269-F277 HydrophobicContact CE2-CE2 4.09Å; F269-F277 AromaticContact CE2-CG 3.74Å; F269-F277 HydrophobicContact CE2-CG 3.74Å; F269-F277 HydrophobicContact CE2-CZ 4.27Å; F269-F277 AromaticContact CZ-CD2 3.72Å; F269-F277 HydrophobicContact CZ-CD2 3.72Å; F269-F277 HydrophobicContact CZ-CE2 4Å; F269-F277 HydrophobicContact CZ-CG 4.06Å; F269-I496 HydrophobicContact CE2-CD1 4.23Å; F269-Y547 AromaticContact CE1-CD1 3.68Å; F269-Y547 HydrophobicContact CE1-CD1 3.68Å; F269-Y547 AromaticContact CE1-CE1 3.36Å; F269-Y547 HydrophobicContact CE1-CE1 3.36Å; F269-Y547 HydrophobicContact CE1-CE2 4.28Å; F269-Y547 HydrophobicContact CE1-CG 4.22Å; F269-Y547 AromaticContact CE1-CZ 3.66Å; F269-Y547 AromaticContact CZ-CD1 3.5Å; F269-Y547 HydrophobicContact CZ-CD1 3.5Å; F269-Y547 AromaticContact CZ-CE1 3.27Å; F269-Y547 HydrophobicContact CZ-CE1 3.27Å; F269-Y547 HydrophobicContact CZ-CG 4.42Å
270	P	88.5	Confident	89.8	Confident	73 Å²	73	32.3 Å²	32.3	47%	0.474	17%	0.174	S	C	.	.			trans	-61.2	151.4	162.2	28.7	-32	0	0	0	109.8	S272 E273 L274	P270-S272 PolarHBondContact O-N 3.06Å; P270-E273 HydrophobicContact CG-CB 3.75Å; P270-E273 PolarHBondContact O-N 3.47Å; P270-L274 PolarHBondContact O-N 2.84Å
271	L	85.5	Confident	89.7	Confident	23 Å²	23	30.9 Å²	30.9	12%	0.12	17%	0.167	C	C	.	.	H	α-helix	trans	-59.9	-31.8	-171.2	-63.2	175.1	0	0	0	113.9	I224 L227 L244 L247 L274	I224-L271 HydrophobicContact CG2-CB 4.42Å; L227-L271 HydrophobicContact CB-CD1 3.64Å; L227-L271 HydrophobicContact CD1-CD1 3.64Å; L227-L271 HydrophobicContact CG-CD1 4.21Å; L244-L271 HydrophobicContact CD2-CD1 4.46Å; L247-L271 HydrophobicContact CD2-CD2 3.97Å; L271-L274 HydrophobicContact CD2-CD2 4.43Å
272	S	84.9	Confident	89.7	Confident	73 Å²	73	34.8 Å²	34.8	51%	0.51	19%	0.186	S	C	.	.	H	α-helix	trans	-65.1	-47.8	174.6	49	0	0	0	0	111.9	P270 L274	P270-S272 PolarHBondContact O-N 3.06Å; S272-L274 VanDerWaalsContact C-N 3.28Å; S272-L274 PolarHBondContact O-N 3.24Å
273	E	89.9	Confident	89.5	Confident	32 Å²	32	40 Å²	40	15%	0.15	21%	0.213	C	C	.	.	H	α-helix	trans	-70.2	-25.7	179.4	-171.2	177.7	170.3	0	0	112.5	F269 P270 V275 D276 F277 K525 H549	F269-E273 HydrophobicContact CB-CB 4.43Å; F269-E273 HydrophobicContact CD1-CG 4.14Å; P270-E273 HydrophobicContact CG-CB 3.75Å; P270-E273 PolarHBondContact O-N 3.47Å; E273-V275 PolarHBondContact O-N 2.64Å; E273-D276 PolarHBondContact O-N 3.33Å; E273-F277 WeakPolarHBondContact O-CB 3.24Å; E273-F277 PolarHBondContact O-N 3.12Å; E273-K525 IonicContact OE1-NZ 3.97Å; E273-K525 PolarHBondContact OE1-NZ 3.03Å; E273-K525 IonicContact OE2-NZ 3.42Å; E273-K525 PolarHBondContact OE2-NZ 2.92Å; E273-H549 VanDerWaalsContact CD-NE2 3.29Å; E273-H549 WeakPolarHBondContact CG-NE2 3.46Å; E273-H549 IonicContact OE1-CD2 2.85Å; E273-H549 IonicContact OE1-CE1 3.53Å; E273-H549 PolarHBondContact OE1-CE1 2.77Å; E273-H549 VanDerWaalsContact OE1-CE1 3.22Å; E273-H549 IonicContact OE1-NE2 2.62Å; E273-H549 PolarHBondContact OE1-NE2 3.35Å
274	L	90.7	Very high	89.1	Confident	3 Å²	3	43.8 Å²	43.8	2%	0.016	23%	0.23	C	C	.	.	H	α-helix	trans	-61.7	-42.9	-179.8	177.7	62.7	0	0	0	112.3	L251 L265 M266 F269 P270 L271 S272 F277 L278	L251-L274 HydrophobicContact CD1-CD2 3.95Å; L265-L274 HydrophobicContact CB-CD1 3.62Å; M266-L274 HydrophobicContact CB-CD2 4.45Å; M266-L274 HydrophobicContact CG-CD2 3.61Å; F269-L274 HydrophobicContact CB-CB 4.32Å; F269-L274 HydrophobicContact CD2-CD1 4.36Å; P270-L274 PolarHBondContact O-N 2.84Å; L271-L274 HydrophobicContact CD2-CD2 4.43Å; S272-L274 VanDerWaalsContact C-N 3.28Å; S272-L274 PolarHBondContact O-N 3.24Å; L274-F277 PolarHBondContact O-N 3.47Å; L274-L278 HydrophobicContact CD1-CD1 4.27Å; L274-L278 HydrophobicContact CD1-CG 4.34Å; L274-L278 HydrophobicContact CG-CD1 4.15Å; L274-L278 VanDerWaalsContact O-CG 3.31Å; L274-L278 WeakPolarHBondContact O-CG 3.44Å; L274-L278 PolarHBondContact O-N 2.96Å
275	V	89.4	Confident	88.7	Confident	17 Å²	17	44 Å²	44	10%	0.103	23%	0.23	C	C	.	.	H	α-helix	trans	-66.1	-46.8	179.4	177.8	0	0	0	0	110.4	I220 I224 E273 F277 L278 E279	I220-V275 HydrophobicContact CG2-CG2 4.35Å; I224-V275 HydrophobicContact CD1-CG2 3.18Å; E273-V275 PolarHBondContact O-N 2.64Å; V275-F277 PolarHBondContact O-N 3.48Å; V275-L278 PolarHBondContact O-N 2.8Å; V275-E279 HydrophobicContact CG1-CG 4.21Å; V275-E279 WeakPolarHBondContact O-CG 3.17Å; V275-E279 PolarHBondContact O-N 3.46Å
276	D	90.8	Very high	88.4	Confident	88 Å²	88	46 Å²	46	47%	0.471	24%	0.243	S	C	.	.	H	α-helix	trans	-55.6	-42.4	175.8	-62.9	-19.4	0	0	0	111.3	E273 A280 H549	E273-D276 PolarHBondContact O-N 3.33Å; D276-A280 WeakPolarHBondContact O-CB 3.08Å; D276-A280 PolarHBondContact O-N 3.47Å; D276-H549 HydrophobicContact CB-CB 4.03Å
277	F	91.6	Very high	88.3	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-63.8	-44.2	176.8	175.1	-94.1	0	0	0	112.2	L265 F269 E273 L274 V275 A280 N281 I496 P548 H549	L265-F277 HydrophobicContact CD1-CE1 4.04Å; L265-F277 HydrophobicContact CD2-CD1 4.26Å; L265-F277 HydrophobicContact CD2-CE1 3.6Å; L265-F277 HydrophobicContact CD2-CZ 4.21Å; L265-F277 HydrophobicContact CG-CE1 4.46Å; F269-F277 HydrophobicContact CD2-CD1 4.45Å; F269-F277 HydrophobicContact CD2-CG 4.36Å; F269-F277 HydrophobicContact CE2-CB 4.35Å; F269-F277 AromaticContact CE2-CD1 3.9Å; F269-F277 HydrophobicContact CE2-CD1 3.9Å; F269-F277 AromaticContact CE2-CD2 3.83Å; F269-F277 HydrophobicContact CE2-CD2 3.83Å; F269-F277 HydrophobicContact CE2-CE1 4.16Å; F269-F277 HydrophobicContact CE2-CE2 4.09Å; F269-F277 AromaticContact CE2-CG 3.74Å; F269-F277 HydrophobicContact CE2-CG 3.74Å; F269-F277 HydrophobicContact CE2-CZ 4.27Å; F269-F277 AromaticContact CZ-CD2 3.72Å; F269-F277 HydrophobicContact CZ-CD2 3.72Å; F269-F277 HydrophobicContact CZ-CE2 4Å; F269-F277 HydrophobicContact CZ-CG 4.06Å; E273-F277 WeakPolarHBondContact O-CB 3.24Å; E273-F277 PolarHBondContact O-N 3.12Å; L274-F277 PolarHBondContact O-N 3.47Å; V275-F277 PolarHBondContact O-N 3.48Å; F277-A280 PolarHBondContact O-N 3.04Å; F277-N281 WeakPolarHBondContact CD1-ND2 3.39Å; F277-N281 WeakPolarHBondContact CE1-ND2 3.38Å; F277-N281 WeakPolarHBondContact CZ-ND2 3.46Å; F277-N281 VanDerWaalsContact O-CG 3.31Å; F277-N281 PolarHBondContact O-N 3.42Å; F277-N281 PolarHBondContact O-ND2 3.32Å; F277-I496 HydrophobicContact CE1-CD1 3.98Å; F277-I496 HydrophobicContact CE2-CD1 3.91Å; F277-I496 HydrophobicContact CZ-CD1 3.32Å; F277-P548 HydrophobicContact CD2-CB 4.33Å; F277-P548 HydrophobicContact CD2-CG 4.14Å; F277-P548 HydrophobicContact CE2-CB 4.32Å; F277-P548 HydrophobicContact CE2-CG 3.66Å; F277-H549 AromaticContact CD2-ND1 3.73Å
278	L	90.6	Very high	88.5	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-65.9	-45.6	179.2	-70.6	171.7	0	0	0	111.5	L251 Y255 Y257 L265 L274 V275 A280 N281 E282	L251-L278 HydrophobicContact CD1-CD1 4.29Å; L251-L278 HydrophobicContact CD2-CD1 3.83Å; Y255-L278 HydrophobicContact CD1-CB 4.3Å; Y255-L278 HydrophobicContact CD2-CB 4.23Å; Y255-L278 HydrophobicContact CD2-CD1 3.86Å; Y255-L278 HydrophobicContact CE1-CB 4.04Å; Y255-L278 HydrophobicContact CE2-CB 3.98Å; Y255-L278 HydrophobicContact CE2-CD1 3.84Å; Y255-L278 HydrophobicContact CG-CB 4.39Å; Y257-L278 HydrophobicContact CD2-CD2 4.4Å; Y257-L278 HydrophobicContact CE1-CD2 4.03Å; Y257-L278 HydrophobicContact CE2-CD2 3.86Å; L265-L278 HydrophobicContact CD1-CD2 4.01Å; L274-L278 HydrophobicContact CD1-CD1 4.27Å; L274-L278 HydrophobicContact CD1-CG 4.34Å; L274-L278 HydrophobicContact CG-CD1 4.15Å; L274-L278 VanDerWaalsContact O-CG 3.31Å; L274-L278 WeakPolarHBondContact O-CG 3.44Å; L274-L278 PolarHBondContact O-N 2.96Å; V275-L278 PolarHBondContact O-N 2.8Å; L278-A280 PolarHBondContact O-N 3.25Å; L278-N281 WeakPolarHBondContact O-CB 3.4Å; L278-N281 PolarHBondContact O-N 2.82Å; L278-N281 VanDerWaalsContact O-N 3.1Å; L278-E282 PolarHBondContact O-N 2.95Å
279	E	90.4	Very high	88.7	Confident	70 Å²	70	45.1 Å²	45.1	33%	0.327	24%	0.242	S	C	.	.	H	α-helix	trans	-61.8	-43	176.2	-68.7	-176.1	173.7	0	0	111.7	H217 Y255 V275 N281 E282 I283	H217-E279 IonicContact CE1-OE1 2.66Å; Y255-E279 HydrophobicContact CE1-CG 4.39Å; Y255-E279 WeakPolarHBondContact OH-CG 3.07Å; V275-E279 HydrophobicContact CG1-CG 4.21Å; V275-E279 WeakPolarHBondContact O-CG 3.17Å; V275-E279 PolarHBondContact O-N 3.46Å; E279-N281 PolarHBondContact O-N 3.29Å; E279-N281 VanDerWaalsContact O-N 3.14Å; E279-E282 PolarHBondContact O-N 3.2Å; E279-I283 WeakPolarHBondContact O-CG1 3.43Å; E279-I283 PolarHBondContact O-N 3.33Å
280	A	90.6	Very high	89	Confident	11 Å²	11	44.7 Å²	44.7	9%	0.091	24%	0.24	C	C	.	.	H	α-helix	trans	-64.8	-16.2	176.6	0	0	0	0	0	113.8	D276 F277 L278 R285 P548 H549	D276-A280 WeakPolarHBondContact O-CB 3.08Å; D276-A280 PolarHBondContact O-N 3.47Å; F277-A280 PolarHBondContact O-N 3.04Å; L278-A280 PolarHBondContact O-N 3.25Å; A280-R285 PolarHBondContact O-NH2 3.46Å; A280-P548 HydrophobicContact CB-CB 4Å; A280-H549 HydrophobicContact CB-CB 3.79Å
281	N	89.7	Confident	89.3	Confident	4 Å²	4	41.2 Å²	41.2	2%	0.021	22%	0.218	C	C	.	.	H	α-helix	trans	-88.1	-21.2	172.9	-70.9	-38.4	0	0	0	113.2	F277 L278 E279 I446 A447	F277-N281 WeakPolarHBondContact CD1-ND2 3.39Å; F277-N281 WeakPolarHBondContact CE1-ND2 3.38Å; F277-N281 WeakPolarHBondContact CZ-ND2 3.46Å; F277-N281 VanDerWaalsContact O-CG 3.31Å; F277-N281 PolarHBondContact O-N 3.42Å; F277-N281 PolarHBondContact O-ND2 3.32Å; L278-N281 WeakPolarHBondContact O-CB 3.4Å; L278-N281 PolarHBondContact O-N 2.82Å; L278-N281 VanDerWaalsContact O-N 3.1Å; E279-N281 PolarHBondContact O-N 3.29Å; E279-N281 VanDerWaalsContact O-N 3.14Å; N281-I446 HydrophobicContact CB-CB 4.4Å; N281-I446 HydrophobicContact CB-CG2 4.22Å; N281-A447 WeakPolarHBondContact O-CA 3.46Å
282	E	88.5	Confident	89.8	Confident	85 Å²	85	40.1 Å²	40.1	40%	0.397	21%	0.212	S	C	.	.	H	α-helix	trans	-81	-31.4	173.7	-59.8	-53.7	154.4	0	0	112.2	Y255 L278 E279 Q284 K453	Y255-E282 HydrophobicContact CD1-CG 3.88Å; Y255-E282 HydrophobicContact CE1-CG 4.14Å; L278-E282 PolarHBondContact O-N 2.95Å; E279-E282 PolarHBondContact O-N 3.2Å; E282-Q284 PolarHBondContact O-N 2.91Å; E282-K453 IonicContact OE1-NZ 3.92Å; E282-K453 PolarHBondContact OE1-NZ 3.35Å; E282-K453 IonicContact OE2-NZ 2.68Å; E282-K453 PolarHBondContact OE2-NZ 2.97Å
283	I	87.6	Confident	90.2	Very high	113 Å²	113	40 Å²	40	58%	0.579	21%	0.208	S	C	*	.	S	Bend	trans	-71.3	121.6	179.1	-61	166.4	0	0	0	109.7	E279 R285	E279-I283 WeakPolarHBondContact O-CG1 3.43Å; E279-I283 PolarHBondContact O-N 3.33Å; I283-R285 PolarHBondContact O-N 3.4Å
284	Q	81.8	Confident	90.3	Very high	174 Å²	174	41 Å²	41	81%	0.813	22%	0.215	S	C	*	.	P	Polyproline II helix	trans	-66.6	125.9	171.8	-73	-162.2	-6.2	0	0	110.5	E282	E282-Q284 PolarHBondContact O-N 2.91Å
285	R	82.5	Confident	90.5	Very high	40 Å²	40	45 Å²	45	15%	0.151	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-79.5	144.9	-176.6	-64	-179.9	176.4	-71.4	-17.5	110.8	A280 I283 P548 N552	A280-R285 PolarHBondContact O-NH2 3.46Å; I283-R285 PolarHBondContact O-N 3.4Å; R285-P548 PolarHBondContact NH1-O 3.45Å; R285-P548 VanDerWaalsContact NH2-C 3.28Å; R285-P548 VanDerWaalsContact NH2-CA 3.28Å; R285-P548 PolarHBondContact NH2-O 3.08Å; R285-N552 PolarHBondContact NH1-O 3.04Å; R285-N552 PolarHBondContact NH1-OD1 3.14Å
286	P	84.6	Confident	90.7	Very high	45 Å²	45	45.4 Å²	45.4	29%	0.292	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-60.8	148.3	175.6	27.3	-34.7	0	0	0	110.3	T288 V324	P286-T288 PolarHBondContact O-N 3.49Å; P286-V324 HydrophobicContact CB-CG1 3.72Å; P286-V324 HydrophobicContact CG-CG1 3.79Å
287	V	89	Confident	90.8	Very high	67 Å²	67	50.5 Å²	50.5	41%	0.406	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	126	-176	-176.8	0	0	0	0	109.3	I325 I332 L345	V287-I325 PolarHBondContact N-O 3.14Å; V287-I325 WeakPolarHBondContact O-CB 3.27Å; V287-I325 PolarHBondContact O-N 3.23Å; V287-I332 HydrophobicContact CB-CD1 4Å; V287-I332 HydrophobicContact CG1-CD1 3.54Å; V287-I332 HydrophobicContact CG2-CD1 4.26Å; V287-L345 HydrophobicContact CG1-CD2 3.73Å
288	T	92.5	Very high	90.8	Very high	19 Å²	19	54.3 Å²	54.3	12%	0.117	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	140.5	175.2	56.9	0	0	0	0	111.2	P286 L323 V324 Q346 G347 A348	P286-T288 PolarHBondContact O-N 3.49Å; T288-L323 WeakPolarHBondContact CA-O 3.48Å; T288-V324 HydrophobicContact CG2-CG2 4.16Å; T288-Q346 CarbonylContact C-O 3.59Å; T288-Q346 PolarHBondContact O-N 2.88Å; T288-Q346 PolarHBondContact OG1-O 3.41Å; T288-G347 VanDerWaalsContact OG1-CA 3.27Å; T288-G347 WeakPolarHBondContact OG1-CA 3.42Å; T288-A348 HydrophobicContact CG2-CB 4.27Å; T288-A348 PolarHBondContact OG1-N 3.39Å; T288-A348 VanDerWaalsContact OG1-N 3.1Å
289	I	93.9	Very high	90.9	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	150.8	173	57.7	168.4	0	0	0	110.6	L305 L312 L323 I325 Y343 M344 L345	I289-L305 HydrophobicContact CD1-CD1 3.78Å; I289-L312 HydrophobicContact CD1-CD2 4.25Å; I289-L323 HydrophobicContact CD1-CB 4.08Å; I289-L323 HydrophobicContact CD1-CD1 3.98Å; I289-L323 HydrophobicContact CG1-CB 3.73Å; I289-L323 HydrophobicContact CG1-CD1 4.44Å; I289-L323 PolarHBondContact N-O 3.1Å; I289-L323 PolarHBondContact O-N 3.06Å; I289-I325 HydrophobicContact CB-CD1 4.4Å; I289-I325 HydrophobicContact CD1-CD1 4.15Å; I289-I325 HydrophobicContact CG1-CD1 4.12Å; I289-I325 HydrophobicContact CG2-CD1 3.51Å; I289-Y343 HydrophobicContact CB-CD2 3.95Å; I289-Y343 HydrophobicContact CD1-CD2 4.19Å; I289-Y343 HydrophobicContact CD1-CG 4.31Å; I289-Y343 HydrophobicContact CG2-CD2 3.71Å; I289-Y343 HydrophobicContact CG2-CE2 3.9Å; I289-M344 WeakPolarHBondContact CA-O 3.31Å; I289-L345 HydrophobicContact CG2-CD2 3.56Å; I289-L345 HydrophobicContact CG2-CG 4.4Å
290	R	95	Very high	91.1	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	118.3	172.8	-170	-151.5	57.6	166.5	-15.3	109.9	V321 Y343 M344 F351 S377 Q381	R290-V321 HydrophobicContact CG-CB 4.49Å; R290-V321 HydrophobicContact CG-CG2 4.06Å; R290-Y343 CarbonylContact O-C 3.23Å; R290-Y343 WeakPolarHBondContact O-CA 3.31Å; R290-Y343 VanDerWaalsContact O-CB 3.28Å; R290-Y343 WeakPolarHBondContact O-CB 3.34Å; R290-M344 PolarHBondContact N-O 3.35Å; R290-M344 PolarHBondContact O-N 2.84Å; R290-F351 HydrophobicContact CB-CE1 3.53Å; R290-F351 HydrophobicContact CB-CZ 3.56Å; R290-F351 HydrophobicContact CG-CD1 4.35Å; R290-F351 HydrophobicContact CG-CE1 3.72Å; R290-F351 HydrophobicContact CG-CZ 3.96Å; R290-S377 VanDerWaalsContact CZ-OG 3.32Å; R290-S377 PolarHBondContact NH1-O 3.15Å; R290-S377 PolarHBondContact NH1-OG 3.27Å; R290-S377 VanDerWaalsContact NH1-OG 3.11Å; R290-S377 PolarHBondContact NH2-OG 2.64Å; R290-Q381 VanDerWaalsContact CZ-CD 3.44Å; R290-Q381 VanDerWaalsContact NH2-NE2 3.1Å
291	T	95.3	Very high	91.2	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	140.2	176	66.9	0	0	0	0	111.3	T293 R298 L301 V321 L323	T291-T293 PolarHBondContact O-N 3.08Å; T291-R298 HydrophobicContact CG2-CB 4.13Å; T291-R298 HydrophobicContact CG2-CG 3.95Å; T291-L301 HydrophobicContact CG2-CD2 3.51Å; T291-V321 WeakPolarHBondContact CG2-O 3.25Å; T291-V321 PolarHBondContact N-O 3.32Å; T291-V321 WeakPolarHBondContact OG1-CA 3.43Å; T291-V321 PolarHBondContact OG1-O 2.9Å; T291-V321 VanDerWaalsContact OG1-O 3.11Å; T291-L323 HydrophobicContact CG2-CD1 3.7Å; T291-L323 HydrophobicContact CG2-CG 4.09Å
292	N	95.7	Very high	91.4	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	30%	0.302	C	S	.	.			trans	-90.8	98.8	176.6	-175.2	8.5	0	0	0	111.9	L294 K295 T296 G341 H342 Q381 L409	N292-L294 PolarHBondContact O-N 3.05Å; N292-L294 VanDerWaalsContact O-N 3.15Å; N292-L294 WeakPolarHBondContact OD1-CB 3.43Å; N292-L294 PolarHBondContact OD1-N 3.26Å; N292-K295 PolarHBondContact O-N 3.24Å; N292-K295 VanDerWaalsContact O-N 3.08Å; N292-T296 PolarHBondContact O-N 3.2Å; N292-G341 VanDerWaalsContact CB-O 3.31Å; N292-G341 WeakPolarHBondContact CB-O 3.48Å; N292-G341 PolarHBondContact ND2-O 3.21Å; N292-H342 VanDerWaalsContact CB-O 3.28Å; N292-H342 WeakPolarHBondContact CB-O 3.42Å; N292-H342 PolarHBondContact N-O 3.25Å; N292-Q381 WeakPolarHBondContact OD1-CG 3.38Å; N292-Q381 PolarHBondContact OD1-NE2 2.94Å; N292-L409 HydrophobicContact CB-CD2 4.5Å; N292-L409 PolarHBondContact ND2-O 3.21Å
293	T	93.8	Very high	91.6	Very high	70 Å²	70	65.9 Å²	65.9	43%	0.429	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-17.6	-179.6	53.4	0	0	0	0	114.1	T291 K295 T296 V321	T291-T293 PolarHBondContact O-N 3.08Å; T293-K295 VanDerWaalsContact C-N 3.31Å; T293-T296 WeakPolarHBondContact CA-O 3.49Å; T293-V321 HydrophobicContact CG2-CG1 3.65Å
294	L	92.9	Very high	91.8	Very high	55 Å²	55	62 Å²	62	29%	0.288	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-28.3	174.6	-63	167.9	0	0	0	112.6	N292 Q381	N292-L294 PolarHBondContact O-N 3.05Å; N292-L294 VanDerWaalsContact O-N 3.15Å; N292-L294 WeakPolarHBondContact OD1-CB 3.43Å; N292-L294 PolarHBondContact OD1-N 3.26Å; L294-Q381 HydrophobicContact CD1-CG 3.91Å; L294-Q381 HydrophobicContact CG-CB 4.49Å; L294-Q381 HydrophobicContact CG-CG 3.88Å
295	K	93.4	Very high	92.3	Very high	87 Å²	87	53.8 Å²	53.8	38%	0.378	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-39.1	-173.9	-70.1	-174.5	174.1	-179.8	0	112.9	N292 T293 A340 R408 L409	N292-K295 PolarHBondContact O-N 3.24Å; N292-K295 VanDerWaalsContact O-N 3.08Å; T293-K295 VanDerWaalsContact C-N 3.31Å; K295-A340 WeakPolarHBondContact CD-O 3.38Å; K295-A340 PolarHBondContact NZ-O 3.21Å; K295-R408 PolarHBondContact NZ-O 3.08Å; K295-L409 WeakPolarHBondContact CE-O 3.36Å
296	T	94	Very high	92.8	Very high	25 Å²	25	56.4 Å²	56.4	15%	0.153	27%	0.273	C	S	.	.			trans	-147.8	153.9	-172.1	50.2	0	0	0	0	111.4	N292 T293 H342	N292-T296 PolarHBondContact O-N 3.2Å; T293-T296 WeakPolarHBondContact CA-O 3.49Å; T296-H342 HydrophobicContact CG2-CB 4.34Å; T296-H342 WeakPolarHBondContact CG2-CD2 3.41Å
297	R	93.1	Very high	93.1	Very high	194 Å²	194	61 Å²	61	73%	0.732	30%	0.295	S	S	*	.			trans	-82.8	157.3	170.3	-59.5	178.4	173.3	-169.8	-2.3	110.5	R299 D300 L301	R297-R299 VanDerWaalsContact C-N 3.33Å; R297-R299 PolarHBondContact O-N 3Å; R297-D300 WeakPolarHBondContact CB-OD2 3.49Å; R297-D300 PolarHBondContact O-N 2.93Å; R297-L301 PolarHBondContact O-N 2.8Å; R297-L301 VanDerWaalsContact O-N 3.12Å
298	R	92.8	Very high	93.1	Very high	81 Å²	81	62.3 Å²	62.3	31%	0.306	29%	0.293	S	S	.	.	H	α-helix	trans	-59	-41.3	179.7	179.6	177	60.4	83.3	-2.4	112.8	T291 L301 A302 K320 L323	T291-R298 HydrophobicContact CG2-CB 4.13Å; T291-R298 HydrophobicContact CG2-CG 3.95Å; R298-L301 PolarHBondContact O-N 3.47Å; R298-A302 WeakPolarHBondContact O-CB 3.49Å; R298-A302 PolarHBondContact O-N 3.04Å; R298-K320 WeakPolarHBondContact CD-O 3.45Å; R298-K320 PolarHBondContact NE-O 2.75Å; R298-L323 HydrophobicContact CG-CD1 4.32Å; R298-L323 HydrophobicContact CG-CD2 3.78Å; R298-L323 HydrophobicContact CG-CG 4.16Å
299	R	92	Very high	92.9	Very high	189 Å²	189	63.7 Å²	63.7	71%	0.713	31%	0.311	S	S	*	.	H	α-helix	trans	-62.7	-48.9	-179.4	-64.8	-177.5	-177.5	177.6	-0.1	111.2	R297 L301 A302 Q303	R297-R299 VanDerWaalsContact C-N 3.33Å; R297-R299 PolarHBondContact O-N 3Å; R299-L301 VanDerWaalsContact C-N 3.31Å; R299-L301 PolarHBondContact O-N 3Å; R299-A302 PolarHBondContact O-N 3.46Å; R299-Q303 WeakPolarHBondContact O-CG 3.29Å; R299-Q303 PolarHBondContact O-N 3.44Å
300	D	93.6	Very high	92.8	Very high	83 Å²	83	63.9 Å²	63.9	44%	0.444	31%	0.312	S	S	.	.	H	α-helix	trans	-62.3	-40.6	-179.9	-45.8	-18.2	0	0	0	111.3	R297 A304	R297-D300 WeakPolarHBondContact CB-OD2 3.49Å; R297-D300 PolarHBondContact O-N 2.93Å; D300-A304 WeakPolarHBondContact O-CB 3.48Å; D300-A304 PolarHBondContact O-N 3.44Å
301	L	93.6	Very high	92.6	Very high	2 Å²	2	68.3 Å²	68.3	1%	0.01	34%	0.336	C	S	.	.	H	α-helix	trans	-66.7	-42.7	176	-178.2	67.8	0	0	0	112	T291 R297 R298 R299 Q303 A304 L305 L323 E337 H342 Y343	T291-L301 HydrophobicContact CG2-CD2 3.51Å; R297-L301 PolarHBondContact O-N 2.8Å; R297-L301 VanDerWaalsContact O-N 3.12Å; R298-L301 PolarHBondContact O-N 3.47Å; R299-L301 VanDerWaalsContact C-N 3.31Å; R299-L301 PolarHBondContact O-N 3Å; L301-Q303 VanDerWaalsContact C-N 3.33Å; L301-Q303 PolarHBondContact O-N 3.49Å; L301-A304 PolarHBondContact O-N 3.34Å; L301-L305 HydrophobicContact CD1-CD1 4.17Å; L301-L305 HydrophobicContact CD1-CG 4.28Å; L301-L305 HydrophobicContact CD2-CD1 4.37Å; L301-L305 HydrophobicContact CG-CD1 3.94Å; L301-L305 HydrophobicContact CG-CG 4.43Å; L301-L305 WeakPolarHBondContact O-CG 3.25Å; L301-L305 PolarHBondContact O-N 3.03Å; L301-L323 HydrophobicContact CD2-CD1 4.45Å; L301-E337 HydrophobicContact CD1-CB 4.19Å; L301-E337 HydrophobicContact CD1-CG 4.21Å; L301-H342 HydrophobicContact CD1-CB 3.98Å; L301-Y343 HydrophobicContact CD1-CD1 3.83Å; L301-Y343 HydrophobicContact CD1-CE1 4.33Å; L301-Y343 HydrophobicContact CD2-CD1 3.87Å; L301-Y343 HydrophobicContact CD2-CG 4.16Å; L301-Y343 HydrophobicContact CG-CD1 4.42Å
302	A	92.7	Very high	92.5	Very high	17 Å²	17	69 Å²	69	14%	0.14	34%	0.339	C	S	.	.	H	α-helix	trans	-59.2	-46.4	177.9	0	0	0	0	0	110.5	R298 R299 A304 L305 I306 L323	R298-A302 WeakPolarHBondContact O-CB 3.49Å; R298-A302 PolarHBondContact O-N 3.04Å; R299-A302 PolarHBondContact O-N 3.46Å; A302-A304 PolarHBondContact O-N 3.41Å; A302-L305 PolarHBondContact O-N 3.44Å; A302-I306 WeakPolarHBondContact O-CB 3.48Å; A302-I306 WeakPolarHBondContact O-CD1 3.12Å; A302-I306 WeakPolarHBondContact O-CG1 3.26Å; A302-I306 PolarHBondContact O-N 3Å; A302-L323 HydrophobicContact CB-CD1 4.46Å
303	Q	93	Very high	92.3	Very high	123 Å²	123	72.5 Å²	72.5	58%	0.575	36%	0.358	S	S	*	.	H	α-helix	trans	-59.3	-44.7	175.1	-70.3	175.8	-9	0	0	112.3	R299 L301 L305 I306 N307	R299-Q303 WeakPolarHBondContact O-CG 3.29Å; R299-Q303 PolarHBondContact O-N 3.44Å; L301-Q303 VanDerWaalsContact C-N 3.33Å; L301-Q303 PolarHBondContact O-N 3.49Å; Q303-L305 VanDerWaalsContact C-N 3.27Å; Q303-L305 PolarHBondContact O-N 3.34Å; Q303-I306 PolarHBondContact O-N 3.43Å; Q303-N307 WeakPolarHBondContact O-CB 3.25Å; Q303-N307 PolarHBondContact O-N 3.04Å; Q303-N307 PolarHBondContact O-ND2 2.83Å
304	A	92.4	Very high	92.1	Very high	31 Å²	31	72.9 Å²	72.9	26%	0.256	36%	0.362	S	S	.	.	H	α-helix	trans	-61.3	-35.4	178.8	0	0	0	0	0	113	D300 L301 A302 R308	D300-A304 WeakPolarHBondContact O-CB 3.48Å; D300-A304 PolarHBondContact O-N 3.44Å; L301-A304 PolarHBondContact O-N 3.34Å; A302-A304 PolarHBondContact O-N 3.41Å; A304-R308 WeakPolarHBondContact O-CG 3.26Å
305	L	92.3	Very high	91.8	Very high	2 Å²	2	71.3 Å²	71.3	1%	0.01	35%	0.353	C	S	.	.	H	α-helix	trans	-81.9	-36.9	178.6	-69.8	172.5	0	0	0	112.6	I289 L301 A302 Q303 N307 R308 G309 V310 L312 Y343	I289-L305 HydrophobicContact CD1-CD1 3.78Å; L301-L305 HydrophobicContact CD1-CD1 4.17Å; L301-L305 HydrophobicContact CD1-CG 4.28Å; L301-L305 HydrophobicContact CD2-CD1 4.37Å; L301-L305 HydrophobicContact CG-CD1 3.94Å; L301-L305 HydrophobicContact CG-CG 4.43Å; L301-L305 WeakPolarHBondContact O-CG 3.25Å; L301-L305 PolarHBondContact O-N 3.03Å; A302-L305 PolarHBondContact O-N 3.44Å; Q303-L305 VanDerWaalsContact C-N 3.27Å; Q303-L305 PolarHBondContact O-N 3.34Å; L305-N307 VanDerWaalsContact C-N 3.3Å; L305-N307 PolarHBondContact O-N 3.32Å; L305-R308 WeakPolarHBondContact O-CA 3.47Å; L305-R308 WeakPolarHBondContact O-CB 3.46Å; L305-R308 PolarHBondContact O-N 3.35Å; L305-G309 PolarHBondContact O-N 3.4Å; L305-V310 HydrophobicContact CB-CB 4.19Å; L305-V310 HydrophobicContact CB-CG2 4.32Å; L305-V310 HydrophobicContact CD2-CG2 4.39Å; L305-V310 WeakPolarHBondContact O-CB 3.43Å; L305-V310 WeakPolarHBondContact O-CG2 3.27Å; L305-V310 PolarHBondContact O-N 3.18Å; L305-V310 VanDerWaalsContact O-N 3.13Å; L305-L312 HydrophobicContact CB-CD1 3.26Å; L305-L312 HydrophobicContact CD1-CD1 3.67Å; L305-L312 HydrophobicContact CD1-CD2 4.46Å; L305-L312 HydrophobicContact CG-CD1 4.1Å; L305-Y343 HydrophobicContact CD1-CE1 4.32Å; L305-Y343 HydrophobicContact CD2-CE1 4.13Å
306	I	92.4	Very high	91.2	Very high	95 Å²	95	69 Å²	69	49%	0.487	35%	0.354	S	S	.	.	H	α-helix	trans	-61.3	-41.6	173.7	-68.9	163.6	0	0	0	110.3	A302 Q303 R308 G309 L312	A302-I306 WeakPolarHBondContact O-CB 3.48Å; A302-I306 WeakPolarHBondContact O-CD1 3.12Å; A302-I306 WeakPolarHBondContact O-CG1 3.26Å; A302-I306 PolarHBondContact O-N 3Å; Q303-I306 PolarHBondContact O-N 3.43Å; I306-R308 PolarHBondContact O-N 2.75Å; I306-G309 PolarHBondContact O-N 2.92Å; I306-L312 HydrophobicContact CG1-CD1 4.48Å
307	N	91.8	Very high	90.7	Very high	140 Å²	140	78.3 Å²	78.3	75%	0.749	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-17.5	175.3	-71.6	-18.1	0	0	0	113.6	Q303 L305	Q303-N307 WeakPolarHBondContact O-CB 3.25Å; Q303-N307 PolarHBondContact O-N 3.04Å; Q303-N307 PolarHBondContact O-ND2 2.83Å; L305-N307 VanDerWaalsContact C-N 3.3Å; L305-N307 PolarHBondContact O-N 3.32Å
308	R	88.3	Confident	90.4	Very high	95 Å²	95	71.6 Å²	71.6	36%	0.358	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	2.5	175	-65.7	173.8	-178.2	-101.7	-3.6	113.1	A304 L305 I306 V310 P336 E337	A304-R308 WeakPolarHBondContact O-CG 3.26Å; L305-R308 WeakPolarHBondContact O-CA 3.47Å; L305-R308 WeakPolarHBondContact O-CB 3.46Å; L305-R308 PolarHBondContact O-N 3.35Å; I306-R308 PolarHBondContact O-N 2.75Å; R308-V310 HydrophobicContact CB-CG2 4.49Å; R308-P336 VanDerWaalsContact CZ-CG 3.46Å; R308-E337 VanDerWaalsContact CZ-CD 3.47Å; R308-E337 IonicContact CZ-OE1 3.02Å; R308-E337 IonicContact CZ-OE2 3.1Å; R308-E337 VanDerWaalsContact NE-CD 3.28Å; R308-E337 IonicContact NE-OE1 2.78Å; R308-E337 PolarHBondContact NE-OE1 3.09Å; R308-E337 IonicContact NE-OE2 3.12Å; R308-E337 PolarHBondContact NE-OE2 2.94Å; R308-E337 VanDerWaalsContact NE-OE2 3.12Å; R308-E337 IonicContact NH1-OE2 3.7Å; R308-E337 IonicContact NH2-OE1 2.68Å; R308-E337 PolarHBondContact NH2-OE1 3.46Å; R308-E337 IonicContact NH2-OE2 3.27Å; R308-E337 PolarHBondContact NH2-OE2 2.85Å
309	G	88.8	Confident	90.2	Very high	48 Å²	48	68 Å²	68	50%	0.495	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.9	36.3	-177.1	0	0	0	0	0	113.3	L305 I306 S329	L305-G309 PolarHBondContact O-N 3.4Å; I306-G309 PolarHBondContact O-N 2.92Å; G309-S329 PolarHBondContact O-OG 3.22Å
310	V	91.9	Very high	89.9	Confident	5 Å²	5	67.8 Å²	67.8	3%	0.03	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	125.5	168.5	-171.3	0	0	0	0	108.6	L305 R308 L312 I325	L305-V310 HydrophobicContact CB-CB 4.19Å; L305-V310 HydrophobicContact CB-CG2 4.32Å; L305-V310 HydrophobicContact CD2-CG2 4.39Å; L305-V310 WeakPolarHBondContact O-CB 3.43Å; L305-V310 WeakPolarHBondContact O-CG2 3.27Å; L305-V310 PolarHBondContact O-N 3.18Å; L305-V310 VanDerWaalsContact O-N 3.13Å; R308-V310 HydrophobicContact CB-CG2 4.49Å; V310-L312 HydrophobicContact CB-CD1 4.39Å; V310-L312 HydrophobicContact CB-CG 4.36Å; V310-L312 HydrophobicContact CG1-CD1 4.25Å; V310-L312 HydrophobicContact CG1-CD2 4.11Å; V310-L312 HydrophobicContact CG1-CG 3.84Å; V310-I325 HydrophobicContact CG1-CG1 4.3Å; V310-I325 HydrophobicContact CG1-CG2 3.83Å
311	N	91.5	Very high	89.8	Confident	92 Å²	92	64.4 Å²	64.4	49%	0.492	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	119.6	174.1	-168.8	14.5	0	0	0	109.9	Y326 D327	N311-Y326 PolarHBondContact O-N 3.47Å; N311-D327 HydrophobicContact CB-CB 4.42Å; N311-D327 PolarHBondContact N-O 3.09Å
312	L	92	Very high	89.8	Confident	15 Å²	15	64.3 Å²	64.3	8%	0.079	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	131.7	-168.5	-73.7	164.7	0	0	0	110.8	I289 L305 I306 V310 L323 V324 I325	I289-L312 HydrophobicContact CD1-CD2 4.25Å; L305-L312 HydrophobicContact CB-CD1 3.26Å; L305-L312 HydrophobicContact CD1-CD1 3.67Å; L305-L312 HydrophobicContact CD1-CD2 4.46Å; L305-L312 HydrophobicContact CG-CD1 4.1Å; I306-L312 HydrophobicContact CG1-CD1 4.48Å; V310-L312 HydrophobicContact CB-CD1 4.39Å; V310-L312 HydrophobicContact CB-CG 4.36Å; V310-L312 HydrophobicContact CG1-CD1 4.25Å; V310-L312 HydrophobicContact CG1-CD2 4.11Å; V310-L312 HydrophobicContact CG1-CG 3.84Å; L312-L323 HydrophobicContact CD2-CB 4.22Å; L312-V324 WeakPolarHBondContact CA-O 3.48Å; L312-I325 HydrophobicContact CD2-CB 4.31Å; L312-I325 HydrophobicContact CD2-CD1 4.3Å; L312-I325 HydrophobicContact CD2-CG1 3.29Å; L312-I325 HydrophobicContact CG-CG1 4.49Å
313	D	91.2	Very high	89.9	Confident	74 Å²	74	63.7 Å²	63.7	40%	0.396	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	149.9	166.6	-76.1	-29.6	0	0	0	111.3	L315 L323 V324 Y326	D313-L315 PolarHBondContact O-N 3.43Å; D313-L323 CarbonylContact O-C 3.58Å; D313-L323 WeakPolarHBondContact O-CA 3.36Å; D313-V324 PolarHBondContact N-O 3.49Å; D313-V324 PolarHBondContact O-N 3.3Å; D313-Y326 HydrophobicContact CB-CE2 3.9Å; D313-Y326 WeakPolarHBondContact OD2-CE2 3.23Å
314	P	90.9	Very high	89.9	Confident	78 Å²	78	58.5 Å²	58.5	51%	0.506	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	137.8	168.9	27.3	-33	0	0	0	110.2
315	L	85.4	Confident	89.8	Confident	21 Å²	21	57.4 Å²	57.4	11%	0.11	30%	0.302	C	S	.	.			trans	-61.8	148.6	164.6	-168.6	65.4	0	0	0	108	D313 W318 G322 V324 A348 F351	D313-L315 PolarHBondContact O-N 3.43Å; L315-W318 HydrophobicContact CD1-CZ2 4.29Å; L315-W318 HydrophobicContact CD2-CH2 3.53Å; L315-W318 HydrophobicContact CD2-CZ2 3.55Å; L315-W318 HydrophobicContact CD2-CZ3 4.31Å; L315-W318 HydrophobicContact CG-CH2 4.29Å; L315-W318 HydrophobicContact CG-CZ2 3.79Å; L315-G322 WeakPolarHBondContact CB-O 3.36Å; L315-G322 PolarHBondContact N-O 3.27Å; L315-V324 HydrophobicContact CB-CG2 4.35Å; L315-V324 HydrophobicContact CD1-CG2 3.59Å; L315-A348 HydrophobicContact CD1-CB 4.19Å; L315-A348 HydrophobicContact CD2-CB 3.88Å; L315-F351 HydrophobicContact CD2-CD2 3.91Å; L315-F351 HydrophobicContact CD2-CE2 3.78Å
316	G	82	Confident	89.6	Confident	38 Å²	38	64 Å²	64	39%	0.392	33%	0.328	S	S	.	.			trans	-44.2	161	-172.5	0	0	0	0	0	114.9	W318 S319	G316-W318 PolarHBondContact O-N 3.14Å; G316-S319 PolarHBondContact O-N 3Å
317	K	82.9	Confident	89.4	Confident	221 Å²	221	65 Å²	65	96%	0.961	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.1	-24.4	-166.4	-62.1	-177.8	-178.9	-178.9	0	115.9	S319	K317-S319 VanDerWaalsContact C-N 3.32Å; K317-S319 PolarHBondContact O-N 3.13Å
318	W	86.2	Confident	89.2	Confident	53 Å²	53	59.7 Å²	59.7	20%	0.201	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-23.4	176.8	59.8	-94.1	0	0	0	114.6	L315 G316 A348 F351 L352 M355 F523 M553	L315-W318 HydrophobicContact CD1-CZ2 4.29Å; L315-W318 HydrophobicContact CD2-CH2 3.53Å; L315-W318 HydrophobicContact CD2-CZ2 3.55Å; L315-W318 HydrophobicContact CD2-CZ3 4.31Å; L315-W318 HydrophobicContact CG-CH2 4.29Å; L315-W318 HydrophobicContact CG-CZ2 3.79Å; G316-W318 PolarHBondContact O-N 3.14Å; W318-A348 HydrophobicContact CH2-CB 4.34Å; W318-F351 HydrophobicContact CH2-CD2 4.41Å; W318-F351 HydrophobicContact CZ3-CB 4.41Å; W318-F351 HydrophobicContact CZ3-CD2 4.49Å; W318-L352 HydrophobicContact CE3-CD2 4.1Å; W318-L352 HydrophobicContact CH2-CD2 3.95Å; W318-L352 HydrophobicContact CZ3-CD2 3.57Å; W318-M355 HydrophobicContact CE3-CE 4.07Å; W318-M355 HydrophobicContact CE3-SD 4.02Å; W318-M355 HydrophobicContact CZ3-SD 3.97Å; W318-M355 VanDerWaalsContact O-CE 3.28Å; W318-M355 WeakPolarHBondContact O-CE 3.39Å; W318-F523 HydrophobicContact CB-CD1 4.23Å; W318-F523 HydrophobicContact CB-CE1 3.74Å; W318-F523 AromaticContact CD1-CE1 3.59Å; W318-F523 AromaticContact CD1-CZ 3.84Å; W318-F523 AromaticContact CD2-CE1 3.43Å; W318-F523 HydrophobicContact CD2-CE1 3.43Å; W318-F523 VanDerWaalsContact CD2-CE1 3.43Å; W318-F523 AromaticContact CD2-CZ 3.55Å; W318-F523 HydrophobicContact CD2-CZ 3.55Å; W318-F523 AromaticContact CE2-CE1 3.8Å; W318-F523 AromaticContact CE2-CZ 3.42Å; W318-F523 VanDerWaalsContact CE2-CZ 3.42Å; W318-F523 AromaticContact CE3-CE1 3.94Å; W318-F523 HydrophobicContact CE3-CE1 3.94Å; W318-F523 HydrophobicContact CE3-CZ 4.04Å; W318-F523 HydrophobicContact CG-CD1 4.12Å; W318-F523 AromaticContact CG-CE1 3.33Å; W318-F523 HydrophobicContact CG-CE1 3.33Å; W318-F523 AromaticContact CG-CZ 3.85Å; W318-F523 HydrophobicContact CG-CZ 3.85Å; W318-F523 HydrophobicContact CH2-CZ 4.28Å; W318-F523 AromaticContact CZ2-CZ 3.82Å; W318-F523 HydrophobicContact CZ2-CZ 3.82Å; W318-F523 HydrophobicContact CZ3-CZ 4.38Å; W318-F523 AromaticContact NE1-CE1 3.87Å; W318-F523 AromaticContact NE1-CZ 3.61Å; W318-M553 HydrophobicContact CH2-SD 4.05Å; W318-M553 HydrophobicContact CZ2-SD 3.74Å
319	S	88.6	Confident	88.9	Confident	7 Å²	7	59.7 Å²	59.7	5%	0.049	32%	0.322	C	S	.	.			trans	-111.8	121.8	-179	-173.1	0	0	0	0	112.9	G316 K317 V321 G322	G316-S319 PolarHBondContact O-N 3Å; K317-S319 VanDerWaalsContact C-N 3.32Å; K317-S319 PolarHBondContact O-N 3.13Å; S319-V321 VanDerWaalsContact C-N 3.35Å; S319-V321 PolarHBondContact OG-N 2.81Å; S319-G322 PolarHBondContact OG-N 2.79Å; S319-G322 VanDerWaalsContact OG-N 3.09Å
320	K	86.9	Confident	88.7	Confident	184 Å²	184	59.8 Å²	59.8	80%	0.8	31%	0.313	S	S	*	.	S	Bend	trans	-79.7	-16.4	175.4	-63.8	-178.2	-178.3	179	0	113.6	R298	R298-K320 WeakPolarHBondContact CD-O 3.45Å; R298-K320 PolarHBondContact NE-O 2.75Å
321	V	91.9	Very high	88.5	Confident	11 Å²	11	63.9 Å²	63.9	7%	0.067	34%	0.34	C	S	.	.	S	Bend	trans	-119.5	-13.1	-169.1	-62.8	0	0	0	0	114.4	R290 T291 T293 S319 Y378	R290-V321 HydrophobicContact CG-CB 4.49Å; R290-V321 HydrophobicContact CG-CG2 4.06Å; T291-V321 WeakPolarHBondContact CG2-O 3.25Å; T291-V321 PolarHBondContact N-O 3.32Å; T291-V321 WeakPolarHBondContact OG1-CA 3.43Å; T291-V321 PolarHBondContact OG1-O 2.9Å; T291-V321 VanDerWaalsContact OG1-O 3.11Å; T293-V321 HydrophobicContact CG2-CG1 3.65Å; S319-V321 VanDerWaalsContact C-N 3.35Å; S319-V321 PolarHBondContact OG-N 2.81Å; V321-Y378 HydrophobicContact CG2-CE2 3.97Å
322	G	93.5	Very high	88.4	Confident	1 Å²	1	60.9 Å²	60.9	1%	0.01	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	138.5	-178.7	0	0	0	0	0	112.2	L315 S319	L315-G322 WeakPolarHBondContact CB-O 3.36Å; L315-G322 PolarHBondContact N-O 3.27Å; S319-G322 PolarHBondContact OG-N 2.79Å; S319-G322 VanDerWaalsContact OG-N 3.09Å
323	L	93.3	Very high	88.2	Confident	3 Å²	3	61.8 Å²	61.8	2%	0.016	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	142.4	165.5	-56.5	167.2	0	0	0	108.9	T288 I289 T291 R298 L301 A302 L312 D313	T288-L323 WeakPolarHBondContact CA-O 3.48Å; I289-L323 HydrophobicContact CD1-CB 4.08Å; I289-L323 HydrophobicContact CD1-CD1 3.98Å; I289-L323 HydrophobicContact CG1-CB 3.73Å; I289-L323 HydrophobicContact CG1-CD1 4.44Å; I289-L323 PolarHBondContact N-O 3.1Å; I289-L323 PolarHBondContact O-N 3.06Å; T291-L323 HydrophobicContact CG2-CD1 3.7Å; T291-L323 HydrophobicContact CG2-CG 4.09Å; R298-L323 HydrophobicContact CG-CD1 4.32Å; R298-L323 HydrophobicContact CG-CD2 3.78Å; R298-L323 HydrophobicContact CG-CG 4.16Å; L301-L323 HydrophobicContact CD2-CD1 4.45Å; A302-L323 HydrophobicContact CB-CD1 4.46Å; L312-L323 HydrophobicContact CD2-CB 4.22Å; D313-L323 CarbonylContact O-C 3.58Å; D313-L323 WeakPolarHBondContact O-CA 3.36Å
324	V	93	Very high	88	Confident	14 Å²	14	61.2 Å²	61.2	9%	0.085	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	131.3	175	-175.2	0	0	0	0	108.1	P286 T288 L312 D313 L315 Y326	P286-V324 HydrophobicContact CB-CG1 3.72Å; P286-V324 HydrophobicContact CG-CG1 3.79Å; T288-V324 HydrophobicContact CG2-CG2 4.16Å; L312-V324 WeakPolarHBondContact CA-O 3.48Å; D313-V324 PolarHBondContact N-O 3.49Å; D313-V324 PolarHBondContact O-N 3.3Å; L315-V324 HydrophobicContact CB-CG2 4.35Å; L315-V324 HydrophobicContact CD1-CG2 3.59Å; V324-Y326 HydrophobicContact CG1-CE1 4.48Å; V324-Y326 HydrophobicContact CG1-CE2 4.18Å
325	I	91.9	Very high	88	Confident	9 Å²	9	57.6 Å²	57.6	5%	0.046	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	119.7	174.9	-61.3	156.2	0	0	0	107.7	V287 I289 V310 L312 I332	V287-I325 PolarHBondContact N-O 3.14Å; V287-I325 WeakPolarHBondContact O-CB 3.27Å; V287-I325 PolarHBondContact O-N 3.23Å; I289-I325 HydrophobicContact CB-CD1 4.4Å; I289-I325 HydrophobicContact CD1-CD1 4.15Å; I289-I325 HydrophobicContact CG1-CD1 4.12Å; I289-I325 HydrophobicContact CG2-CD1 3.51Å; V310-I325 HydrophobicContact CG1-CG1 4.3Å; V310-I325 HydrophobicContact CG1-CG2 3.83Å; L312-I325 HydrophobicContact CD2-CB 4.31Å; L312-I325 HydrophobicContact CD2-CD1 4.3Å; L312-I325 HydrophobicContact CD2-CG1 3.29Å; L312-I325 HydrophobicContact CG-CG1 4.49Å; I325-I332 HydrophobicContact CD1-CB 4.44Å; I325-I332 HydrophobicContact CD1-CD1 4.13Å; I325-I332 HydrophobicContact CD1-CG2 4.02Å
326	Y	88.1	Confident	88.4	Confident	141 Å²	141	59.6 Å²	59.6	55%	0.553	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90	-47.2	174.8	-71.8	-77.1	0	0	0	111.7	N311 D313 V324	N311-Y326 PolarHBondContact O-N 3.47Å; D313-Y326 HydrophobicContact CB-CE2 3.9Å; D313-Y326 WeakPolarHBondContact OD2-CE2 3.23Å; V324-Y326 HydrophobicContact CG1-CE1 4.48Å; V324-Y326 HydrophobicContact CG1-CE2 4.18Å
327	D	87	Confident	88.9	Confident	114 Å²	114	58.9 Å²	58.9	61%	0.61	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142	145	-179.5	-167	10.7	0	0	0	110.3	N311	N311-D327 HydrophobicContact CB-CB 4.42Å; N311-D327 PolarHBondContact N-O 3.09Å
328	S	86.9	Confident	89.5	Confident	30 Å²	30	50.1 Å²	50.1	21%	0.21	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	116.1	-179.7	-171.4	0	0	0	0	110	V330 I332	S328-V330 PolarHBondContact O-N 2.94Å; S328-V330 PolarHBondContact OG-N 3.36Å; S328-V330 PolarHBondContact OG-O 3.49Å; S328-I332 WeakPolarHBondContact OG-CG2 3.28Å
329	S	82.3	Confident	89.8	Confident	95 Å²	95	53 Å²	53	66%	0.664	30%	0.299	S	S	*	.	S	Bend	trans	-65.5	-24.2	170.8	58	0	0	0	0	112.8	G309	G309-S329 PolarHBondContact O-OG 3.22Å
330	V	85.1	Confident	90.1	Very high	49 Å²	49	54.7 Å²	54.7	30%	0.297	31%	0.314	S	S	.	.	S	Bend	trans	-107.1	139.4	-177.6	-177.7	0	0	0	0	110.3	S328 I332 T335	S328-V330 PolarHBondContact O-N 2.94Å; S328-V330 PolarHBondContact OG-N 3.36Å; S328-V330 PolarHBondContact OG-O 3.49Å; V330-I332 PolarHBondContact O-N 3.22Å; V330-T335 HydrophobicContact CG1-CG2 4.02Å
331	P	88.4	Confident	90.4	Very high	91 Å²	91	46 Å²	46	59%	0.591	28%	0.275	S	S	*	.			trans	-61.7	113.5	171.3	23.6	-33.3	0	0	0	111.3	G333 A334	P331-G333 PolarHBondContact O-N 3.03Å; P331-G333 VanDerWaalsContact O-N 3.1Å; P331-A334 HydrophobicContact CB-CB 4.38Å; P331-A334 HydrophobicContact CG-CB 4.11Å; P331-A334 PolarHBondContact O-N 3.09Å
332	I	88.3	Confident	90.6	Very high	29 Å²	29	48 Å²	48	15%	0.149	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-19.9	-174.4	62.1	-175.2	0	0	0	114.2	V287 I325 S328 V330 Y343 L345	V287-I332 HydrophobicContact CB-CD1 4Å; V287-I332 HydrophobicContact CG1-CD1 3.54Å; V287-I332 HydrophobicContact CG2-CD1 4.26Å; I325-I332 HydrophobicContact CD1-CB 4.44Å; I325-I332 HydrophobicContact CD1-CD1 4.13Å; I325-I332 HydrophobicContact CD1-CG2 4.02Å; S328-I332 WeakPolarHBondContact OG-CG2 3.28Å; V330-I332 PolarHBondContact O-N 3.22Å; I332-Y343 PolarHBondContact O-OH 3.05Å; I332-L345 HydrophobicContact CB-CD2 4.38Å; I332-L345 HydrophobicContact CD1-CD2 3.35Å; I332-L345 HydrophobicContact CG1-CD1 4.28Å; I332-L345 HydrophobicContact CG1-CD2 3.69Å
333	G	87.7	Confident	90.7	Very high	34 Å²	34	48 Å²	48	35%	0.351	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-4.9	175.5	0	0	0	0	0	114.7	P331 Y338	P331-G333 PolarHBondContact O-N 3.03Å; P331-G333 VanDerWaalsContact O-N 3.1Å; G333-Y338 WeakPolarHBondContact O-CD1 3.47Å; G333-Y338 WeakPolarHBondContact O-CE1 3.38Å
334	A	88.2	Confident	90.7	Very high	62 Å²	62	48.3 Å²	48.3	51%	0.512	29%	0.285	S	S	.	.	S	Bend	trans	-120.8	7.8	-177.7	0	0	0	0	0	113.2	P331	P331-A334 HydrophobicContact CB-CB 4.38Å; P331-A334 HydrophobicContact CG-CB 4.11Å; P331-A334 PolarHBondContact O-N 3.09Å
335	T	91.1	Very high	90.7	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.012	30%	0.296	C	S	.	.	S	Bend	trans	-68.1	147.9	174.6	65.6	0	0	0	0	110.3	V330 E337 Y338 L339 Y343	V330-T335 HydrophobicContact CG1-CG2 4.02Å; T335-E337 WeakPolarHBondContact CB-OE2 3.41Å; T335-E337 PolarHBondContact O-N 2.54Å; T335-Y338 WeakPolarHBondContact O-CB 3.48Å; T335-Y338 PolarHBondContact O-N 3.21Å; T335-Y338 VanDerWaalsContact O-N 3.12Å; T335-Y338 VanDerWaalsContact OG1-CB 3.22Å; T335-Y338 WeakPolarHBondContact OG1-CB 3.49Å; T335-Y338 PolarHBondContact OG1-N 2.92Å; T335-Y338 VanDerWaalsContact OG1-N 3.08Å; T335-L339 PolarHBondContact O-N 2.92Å; T335-L339 VanDerWaalsContact O-N 3.07Å; T335-Y343 PolarHBondContact OG1-OH 2.84Å
336	P	92.4	Very high	90.7	Very high	64 Å²	64	51 Å²	51	42%	0.416	30%	0.298	S	S	.	.	H	α-helix	trans	-63.6	-28.7	175.2	28.4	-35	0	0	0	111.7	R308 Y338 L339 A340	R308-P336 VanDerWaalsContact CZ-CG 3.46Å; P336-Y338 VanDerWaalsContact C-N 3.35Å; P336-L339 PolarHBondContact O-N 2.76Å; P336-A340 WeakPolarHBondContact O-CB 3.47Å; P336-A340 PolarHBondContact O-N 3.39Å
337	E	93.6	Very high	90.7	Very high	22 Å²	22	44.7 Å²	44.7	10%	0.103	28%	0.276	C	S	.	.	H	α-helix	trans	-62.3	-41.4	172.1	-67.1	78.5	-171	0	0	111.4	L301 R308 T335 G341 H342 Y343	L301-E337 HydrophobicContact CD1-CB 4.19Å; L301-E337 HydrophobicContact CD1-CG 4.21Å; R308-E337 VanDerWaalsContact CZ-CD 3.47Å; R308-E337 IonicContact CZ-OE1 3.02Å; R308-E337 IonicContact CZ-OE2 3.1Å; R308-E337 VanDerWaalsContact NE-CD 3.28Å; R308-E337 IonicContact NE-OE1 2.78Å; R308-E337 PolarHBondContact NE-OE1 3.09Å; R308-E337 IonicContact NE-OE2 3.12Å; R308-E337 PolarHBondContact NE-OE2 2.94Å; R308-E337 VanDerWaalsContact NE-OE2 3.12Å; R308-E337 IonicContact NH1-OE2 3.7Å; R308-E337 IonicContact NH2-OE1 2.68Å; R308-E337 PolarHBondContact NH2-OE1 3.46Å; R308-E337 IonicContact NH2-OE2 3.27Å; R308-E337 PolarHBondContact NH2-OE2 2.85Å; T335-E337 WeakPolarHBondContact CB-OE2 3.41Å; T335-E337 PolarHBondContact O-N 2.54Å; E337-G341 PolarHBondContact O-N 3.09Å; E337-G341 VanDerWaalsContact O-N 3.15Å; E337-H342 HydrophobicContact CB-CB 4.24Å; E337-H342 WeakPolarHBondContact O-CB 3.39Å; E337-H342 PolarHBondContact O-N 3.27Å; E337-Y343 HydrophobicContact CB-CD1 4.14Å; E337-Y343 HydrophobicContact CB-CE1 3.68Å
338	Y	94.7	Very high	90.9	Very high	37 Å²	37	39.6 Å²	39.6	15%	0.145	25%	0.25	C	C	.	.	H	α-helix	trans	-65.6	-45.6	175.6	-178.3	-100.8	0	0	0	111.7	G333 T335 P336 A340 G341 Y343 L345 R408	G333-Y338 WeakPolarHBondContact O-CD1 3.47Å; G333-Y338 WeakPolarHBondContact O-CE1 3.38Å; T335-Y338 WeakPolarHBondContact O-CB 3.48Å; T335-Y338 PolarHBondContact O-N 3.21Å; T335-Y338 VanDerWaalsContact O-N 3.12Å; T335-Y338 VanDerWaalsContact OG1-CB 3.22Å; T335-Y338 WeakPolarHBondContact OG1-CB 3.49Å; T335-Y338 PolarHBondContact OG1-N 2.92Å; T335-Y338 VanDerWaalsContact OG1-N 3.08Å; P336-Y338 VanDerWaalsContact C-N 3.35Å; Y338-A340 VanDerWaalsContact C-N 3.35Å; Y338-G341 WeakPolarHBondContact O-CA 3.39Å; Y338-G341 PolarHBondContact O-N 2.92Å; Y338-Y343 AromaticContact CD2-CD2 3.99Å; Y338-Y343 HydrophobicContact CD2-CD2 3.99Å; Y338-Y343 AromaticContact CD2-CE2 3.68Å; Y338-Y343 HydrophobicContact CD2-CE2 3.68Å; Y338-Y343 HydrophobicContact CG-CE2 4.37Å; Y338-L345 HydrophobicContact CE2-CD1 3.93Å; Y338-L345 HydrophobicContact CE2-CG 4.01Å; Y338-R408 WeakPolarHBondContact O-CD 3.48Å; Y338-R408 PolarHBondContact O-NE 3.14Å; Y338-R408 PolarHBondContact OH-NH1 3.02Å; Y338-R408 VanDerWaalsContact OH-NH1 3.11Å; Y338-R408 PolarHBondContact OH-NH2 3.09Å
339	L	92.9	Very high	91	Very high	115 Å²	115	38.3 Å²	38.3	60%	0.602	24%	0.241	S	C	*	.	H	α-helix	trans	-65.3	-37.8	178.1	-65.8	175.5	0	0	0	112.2	T335 P336 G341 R408	T335-L339 PolarHBondContact O-N 2.92Å; T335-L339 VanDerWaalsContact O-N 3.07Å; P336-L339 PolarHBondContact O-N 2.76Å; L339-G341 PolarHBondContact O-N 3.06Å; L339-R408 WeakPolarHBondContact O-CG 3.34Å
340	A	93.8	Very high	91.5	Very high	42 Å²	42	35 Å²	35	35%	0.347	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-6.5	172.1	0	0	0	0	0	112.7	K295 P336 Y338	K295-A340 WeakPolarHBondContact CD-O 3.38Å; K295-A340 PolarHBondContact NZ-O 3.21Å; P336-A340 WeakPolarHBondContact O-CB 3.47Å; P336-A340 PolarHBondContact O-N 3.39Å; Y338-A340 VanDerWaalsContact C-N 3.35Å
341	G	94.6	Very high	91.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.6	27.8	177.8	0	0	0	0	0	114	N292 E337 Y338 L339 L409	N292-G341 VanDerWaalsContact CB-O 3.31Å; N292-G341 WeakPolarHBondContact CB-O 3.48Å; N292-G341 PolarHBondContact ND2-O 3.21Å; E337-G341 PolarHBondContact O-N 3.09Å; E337-G341 VanDerWaalsContact O-N 3.15Å; Y338-G341 WeakPolarHBondContact O-CA 3.39Å; Y338-G341 PolarHBondContact O-N 2.92Å; L339-G341 PolarHBondContact O-N 3.06Å; G341-L409 WeakPolarHBondContact O-CD2 3.49Å
342	H	95.5	Very high	92.1	Very high	54 Å²	54	28.3 Å²	28.3	25%	0.25	18%	0.176	C	C	.	.	S	Bend	trans	-71.9	-21.4	175.4	-65.2	15.1	0	0	0	112.2	N292 T296 L301 E337	N292-H342 VanDerWaalsContact CB-O 3.28Å; N292-H342 WeakPolarHBondContact CB-O 3.42Å; N292-H342 PolarHBondContact N-O 3.25Å; T296-H342 HydrophobicContact CG2-CB 4.34Å; T296-H342 WeakPolarHBondContact CG2-CD2 3.41Å; L301-H342 HydrophobicContact CD1-CB 3.98Å; E337-H342 HydrophobicContact CB-CB 4.24Å; E337-H342 WeakPolarHBondContact O-CB 3.39Å; E337-H342 PolarHBondContact O-N 3.27Å
343	Y	95.2	Very high	92.4	Very high	1 Å²	1	27 Å²	27	0%	0.004	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	169.3	171.3	64.6	-88.9	0	0	0	112.4	I289 R290 L301 L305 I332 T335 E337 Y338	I289-Y343 HydrophobicContact CB-CD2 3.95Å; I289-Y343 HydrophobicContact CD1-CD2 4.19Å; I289-Y343 HydrophobicContact CD1-CG 4.31Å; I289-Y343 HydrophobicContact CG2-CD2 3.71Å; I289-Y343 HydrophobicContact CG2-CE2 3.9Å; R290-Y343 CarbonylContact O-C 3.23Å; R290-Y343 WeakPolarHBondContact O-CA 3.31Å; R290-Y343 VanDerWaalsContact O-CB 3.28Å; R290-Y343 WeakPolarHBondContact O-CB 3.34Å; L301-Y343 HydrophobicContact CD1-CD1 3.83Å; L301-Y343 HydrophobicContact CD1-CE1 4.33Å; L301-Y343 HydrophobicContact CD2-CD1 3.87Å; L301-Y343 HydrophobicContact CD2-CG 4.16Å; L301-Y343 HydrophobicContact CG-CD1 4.42Å; L305-Y343 HydrophobicContact CD1-CE1 4.32Å; L305-Y343 HydrophobicContact CD2-CE1 4.13Å; I332-Y343 PolarHBondContact O-OH 3.05Å; T335-Y343 PolarHBondContact OG1-OH 2.84Å; E337-Y343 HydrophobicContact CB-CD1 4.14Å; E337-Y343 HydrophobicContact CB-CE1 3.68Å; Y338-Y343 AromaticContact CD2-CD2 3.99Å; Y338-Y343 HydrophobicContact CD2-CD2 3.99Å; Y338-Y343 AromaticContact CD2-CE2 3.68Å; Y338-Y343 HydrophobicContact CD2-CE2 3.68Å; Y338-Y343 HydrophobicContact CG-CE2 4.37Å
344	M	94.1	Very high	92.7	Very high	10 Å²	10	25.3 Å²	25.3	5%	0.049	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	140.5	173.2	-173.1	169.8	-171.3	0	0	109.9	I289 R290 Q346 N405 L409	I289-M344 WeakPolarHBondContact CA-O 3.31Å; R290-M344 PolarHBondContact N-O 3.35Å; R290-M344 PolarHBondContact O-N 2.84Å; M344-Q346 PolarHBondContact O-N 3.31Å; M344-N405 HydrophobicContact CE-CB 4.16Å; M344-N405 WeakPolarHBondContact CE-ND2 3.31Å; M344-L409 HydrophobicContact CB-CD1 4.44Å; M344-L409 HydrophobicContact CB-CD2 4.39Å; M344-L409 HydrophobicContact SD-CD1 3.78Å
345	L	92.7	Very high	92.9	Very high	57 Å²	57	24.7 Å²	24.7	30%	0.298	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	118.1	171	-66.6	161.2	0	0	0	108.2	V287 I289 I332 Y338	V287-L345 HydrophobicContact CG1-CD2 3.73Å; I289-L345 HydrophobicContact CG2-CD2 3.56Å; I289-L345 HydrophobicContact CG2-CG 4.4Å; I332-L345 HydrophobicContact CB-CD2 4.38Å; I332-L345 HydrophobicContact CD1-CD2 3.35Å; I332-L345 HydrophobicContact CG1-CD1 4.28Å; I332-L345 HydrophobicContact CG1-CD2 3.69Å; Y338-L345 HydrophobicContact CE2-CD1 3.93Å; Y338-L345 HydrophobicContact CE2-CG 4.01Å
346	Q	91.7	Very high	93	Very high	21 Å²	21	24.6 Å²	24.6	10%	0.098	14%	0.138	C	C	.	.			trans	-158.5	135.7	-174.7	-174.4	173.4	14.8	0	0	109.7	T288 M344 S350 F351	T288-Q346 CarbonylContact C-O 3.59Å; T288-Q346 PolarHBondContact O-N 2.88Å; T288-Q346 PolarHBondContact OG1-O 3.41Å; M344-Q346 PolarHBondContact O-N 3.31Å; Q346-S350 VanDerWaalsContact NE2-CB 3.28Å; Q346-F351 HydrophobicContact CB-CE1 3.92Å; Q346-F351 HydrophobicContact CG-CD1 4.35Å; Q346-F351 HydrophobicContact CG-CE1 3.77Å
347	G	88.8	Confident	93.1	Very high	9 Å²	9	21.6 Å²	21.6	9%	0.093	12%	0.119	C	C	.	.			trans	-61.9	142	176.4	0	0	0	0	0	112.1	T288 S349 S350	T288-G347 VanDerWaalsContact OG1-CA 3.27Å; T288-G347 WeakPolarHBondContact OG1-CA 3.42Å; G347-S349 PolarHBondContact O-N 2.97Å; G347-S350 WeakPolarHBondContact O-CB 3.34Å; G347-S350 PolarHBondContact O-N 2.58Å
348	A	90.1	Very high	93	Very high	7 Å²	7	22.7 Å²	22.7	6%	0.058	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-53.2	-38.7	177.9	0	0	0	0	0	113.1	T288 L315 W318 S350 F351 M553	T288-A348 HydrophobicContact CG2-CB 4.27Å; T288-A348 PolarHBondContact OG1-N 3.39Å; T288-A348 VanDerWaalsContact OG1-N 3.1Å; L315-A348 HydrophobicContact CD1-CB 4.19Å; L315-A348 HydrophobicContact CD2-CB 3.88Å; W318-A348 HydrophobicContact CH2-CB 4.34Å; A348-S350 PolarHBondContact O-N 3.16Å; A348-F351 WeakPolarHBondContact O-CB 3.48Å; A348-F351 PolarHBondContact O-N 3.43Å; A348-F351 VanDerWaalsContact O-N 3.1Å; A348-M553 HydrophobicContact CB-CG 4.06Å; A348-M553 HydrophobicContact CB-SD 3.85Å
349	S	90.3	Very high	93	Very high	3 Å²	3	21.2 Å²	21.2	2%	0.021	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-56.2	-32	176.5	55.2	0	0	0	0	113.3	G347 F351 L352 P353 D554	G347-S349 PolarHBondContact O-N 2.97Å; S349-F351 VanDerWaalsContact C-N 3.25Å; S349-F351 PolarHBondContact O-N 3.21Å; S349-L352 PolarHBondContact O-N 3.42Å; S349-P353 WeakPolarHBondContact O-CD 3.36Å; S349-D554 PolarHBondContact OG-OD2 2.85Å
350	S	91.8	Very high	92.9	Very high	26 Å²	26	20.6 Å²	20.6	18%	0.182	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-76.8	-7.7	-178.2	-60.8	0	0	0	0	114	Q346 G347 A348	Q346-S350 VanDerWaalsContact NE2-CB 3.28Å; G347-S350 WeakPolarHBondContact O-CB 3.34Å; G347-S350 PolarHBondContact O-N 2.58Å; A348-S350 PolarHBondContact O-N 3.16Å
351	F	92.7	Very high	92.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-79.1	-33.9	173.8	-56.1	-19.6	0	0	0	111.7	R290 L315 W318 Q346 A348 S349 V354 M355 Y378	R290-F351 HydrophobicContact CB-CE1 3.53Å; R290-F351 HydrophobicContact CB-CZ 3.56Å; R290-F351 HydrophobicContact CG-CD1 4.35Å; R290-F351 HydrophobicContact CG-CE1 3.72Å; R290-F351 HydrophobicContact CG-CZ 3.96Å; L315-F351 HydrophobicContact CD2-CD2 3.91Å; L315-F351 HydrophobicContact CD2-CE2 3.78Å; W318-F351 HydrophobicContact CH2-CD2 4.41Å; W318-F351 HydrophobicContact CZ3-CB 4.41Å; W318-F351 HydrophobicContact CZ3-CD2 4.49Å; Q346-F351 HydrophobicContact CB-CE1 3.92Å; Q346-F351 HydrophobicContact CG-CD1 4.35Å; Q346-F351 HydrophobicContact CG-CE1 3.77Å; A348-F351 WeakPolarHBondContact O-CB 3.48Å; A348-F351 PolarHBondContact O-N 3.43Å; A348-F351 VanDerWaalsContact O-N 3.1Å; S349-F351 VanDerWaalsContact C-N 3.25Å; S349-F351 PolarHBondContact O-N 3.21Å; F351-V354 PolarHBondContact O-N 3.4Å; F351-M355 HydrophobicContact CB-SD 4.23Å; F351-M355 WeakPolarHBondContact O-CG 3.25Å; F351-M355 PolarHBondContact O-N 3.02Å; F351-Y378 HydrophobicContact CB-CE1 4.14Å
352	L	93	Very high	92.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-58.9	-43.5	-170.4	-53.9	168	0	0	0	113.4	W318 S349 V354 M355 A356 L521 F523 F546 M553 V558	W318-L352 HydrophobicContact CE3-CD2 4.1Å; W318-L352 HydrophobicContact CH2-CD2 3.95Å; W318-L352 HydrophobicContact CZ3-CD2 3.57Å; S349-L352 PolarHBondContact O-N 3.42Å; L352-V354 VanDerWaalsContact C-N 3.33Å; L352-V354 PolarHBondContact O-N 3.4Å; L352-M355 PolarHBondContact O-N 3.49Å; L352-A356 WeakPolarHBondContact O-CB 3.32Å; L352-A356 PolarHBondContact O-N 3.31Å; L352-L521 HydrophobicContact CB-CD1 4.05Å; L352-L521 HydrophobicContact CD2-CD1 4.4Å; L352-L521 HydrophobicContact CD2-CD2 4.09Å; L352-F523 HydrophobicContact CD2-CE1 4.31Å; L352-F523 HydrophobicContact CD2-CZ 3.88Å; L352-F546 HydrophobicContact CD1-CD1 3.97Å; L352-F546 HydrophobicContact CD1-CD2 3.59Å; L352-F546 HydrophobicContact CD1-CE1 3.93Å; L352-F546 HydrophobicContact CD1-CE2 3.57Å; L352-F546 HydrophobicContact CD1-CG 3.8Å; L352-F546 HydrophobicContact CD1-CZ 3.75Å; L352-F546 HydrophobicContact CD2-CZ 4.42Å; L352-M553 HydrophobicContact CD1-CE 3.92Å; L352-M553 HydrophobicContact CD1-SD 4.47Å; L352-V558 HydrophobicContact CB-CG2 4.17Å
353	P	94.4	Very high	92.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61.2	-41	178.5	-25.2	34.8	0	0	0	113.7	S349 A356 L357 L435 V490 C492 F556 V558	S349-P353 WeakPolarHBondContact O-CD 3.36Å; P353-A356 PolarHBondContact O-N 3Å; P353-L357 WeakPolarHBondContact O-CB 3.42Å; P353-L357 PolarHBondContact O-N 3.37Å; P353-L435 HydrophobicContact CB-CD1 3.73Å; P353-V490 HydrophobicContact CB-CG1 4.1Å; P353-C492 HydrophobicContact CB-CB 4.02Å; P353-C492 HydrophobicContact CG-CB 3.68Å; P353-C492 VanDerWaalsContact CG-SG 3.56Å; P353-F556 HydrophobicContact CG-CE1 3.41Å; P353-F556 VanDerWaalsContact CG-CE1 3.41Å; P353-F556 HydrophobicContact CG-CZ 3.57Å; P353-V558 HydrophobicContact CG-CG2 4.41Å
354	V	94.4	Very high	92.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-74.9	-37	-176.3	177.1	0	0	0	0	110.2	F351 L352 A356 L357 S358 K375 Y378 M379 L382 L435	F351-V354 PolarHBondContact O-N 3.4Å; L352-V354 VanDerWaalsContact C-N 3.33Å; L352-V354 PolarHBondContact O-N 3.4Å; V354-A356 VanDerWaalsContact C-N 3.35Å; V354-L357 PolarHBondContact O-N 2.95Å; V354-S358 PolarHBondContact O-N 3.29Å; V354-K375 HydrophobicContact CG2-CB 3.94Å; V354-K375 HydrophobicContact CG2-CG 4.26Å; V354-Y378 HydrophobicContact CB-CD1 3.42Å; V354-Y378 VanDerWaalsContact CB-CD1 3.42Å; V354-Y378 HydrophobicContact CB-CE1 3.87Å; V354-Y378 HydrophobicContact CB-CG 4.26Å; V354-Y378 HydrophobicContact CG1-CD1 3.4Å; V354-Y378 HydrophobicContact CG1-CE1 3.88Å; V354-Y378 HydrophobicContact CG1-CG 3.81Å; V354-Y378 HydrophobicContact CG2-CD1 3.93Å; V354-M379 HydrophobicContact CG1-CG 3.72Å; V354-M379 HydrophobicContact CG2-CG 4.12Å; V354-L382 HydrophobicContact CG1-CD1 3.7Å; V354-L435 HydrophobicContact CG2-CD2 4.08Å
355	M	93.1	Very high	92.6	Very high	49 Å²	49	25.2 Å²	25.2	24%	0.241	15%	0.149	C	C	.	.	H	α-helix	trans	-60.2	-45.5	170.7	-70	175.8	64.5	0	0	111.1	W318 F351 L352 L357 S358 Y378 L521	W318-M355 HydrophobicContact CE3-CE 4.07Å; W318-M355 HydrophobicContact CE3-SD 4.02Å; W318-M355 HydrophobicContact CZ3-SD 3.97Å; W318-M355 VanDerWaalsContact O-CE 3.28Å; W318-M355 WeakPolarHBondContact O-CE 3.39Å; F351-M355 HydrophobicContact CB-SD 4.23Å; F351-M355 WeakPolarHBondContact O-CG 3.25Å; F351-M355 PolarHBondContact O-N 3.02Å; L352-M355 PolarHBondContact O-N 3.49Å; M355-L357 VanDerWaalsContact C-N 3.34Å; M355-L357 PolarHBondContact O-N 3.45Å; M355-S358 PolarHBondContact O-N 3.06Å; M355-S358 PolarHBondContact O-OG 3.42Å; M355-Y378 HydrophobicContact CG-CE1 4.09Å; M355-L521 HydrophobicContact CB-CD2 4.21Å
356	A	93.7	Very high	92.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-65.8	-34.4	177.2	0	0	0	0	0	113	L352 P353 V354 V490 T519 V558 K560	L352-A356 WeakPolarHBondContact O-CB 3.32Å; L352-A356 PolarHBondContact O-N 3.31Å; P353-A356 PolarHBondContact O-N 3Å; V354-A356 VanDerWaalsContact C-N 3.35Å; A356-V490 HydrophobicContact CB-CG2 4.29Å; A356-T519 VanDerWaalsContact CA-O 3.31Å; A356-T519 WeakPolarHBondContact CA-O 3.43Å; A356-T519 WeakPolarHBondContact CB-O 3.44Å; A356-V558 HydrophobicContact CB-CG1 3.94Å; A356-K560 WeakPolarHBondContact O-CD 3.4Å; A356-K560 VanDerWaalsContact O-CE 3.25Å; A356-K560 WeakPolarHBondContact O-CE 3.22Å; A356-K560 PolarHBondContact O-NZ 3.05Å
357	L	93.3	Very high	92.9	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-69.7	-37	177.5	-170	69.1	0	0	0	111.7	P353 V354 M355 V365 M379 R433 V434 L435 V490	P353-L357 WeakPolarHBondContact O-CB 3.42Å; P353-L357 PolarHBondContact O-N 3.37Å; V354-L357 PolarHBondContact O-N 2.95Å; M355-L357 VanDerWaalsContact C-N 3.34Å; M355-L357 PolarHBondContact O-N 3.45Å; L357-V365 HydrophobicContact CD2-CG1 4.19Å; L357-M379 HydrophobicContact CD2-SD 3.62Å; L357-R433 HydrophobicContact CD1-CB 4Å; L357-R433 HydrophobicContact CD2-CB 4.39Å; L357-R433 HydrophobicContact CG-CB 4.25Å; L357-R433 PolarHBondContact O-NH1 3.46Å; L357-V434 WeakPolarHBondContact CD1-O 3.46Å; L357-L435 HydrophobicContact CD2-CB 4.04Å; L357-V490 HydrophobicContact CB-CB 4.37Å; L357-V490 HydrophobicContact CB-CG2 3.84Å; L357-V490 HydrophobicContact CD1-CB 4.01Å; L357-V490 HydrophobicContact CD1-CG2 3.66Å; L357-V490 HydrophobicContact CG-CG2 4.4Å
358	S	92.7	Very high	93.1	Very high	46 Å²	46	21.1 Å²	21.1	32%	0.322	13%	0.126	S	C	.	.			trans	49.2	57	179.3	-38.7	0	0	0	0	113.5	V354 M355 Q360 R433	V354-S358 PolarHBondContact O-N 3.29Å; M355-S358 PolarHBondContact O-N 3.06Å; M355-S358 PolarHBondContact O-OG 3.42Å; S358-Q360 PolarHBondContact O-NE2 3.28Å; S358-R433 PolarHBondContact O-NH1 3Å
359	P	93.1	Very high	93.3	Very high	6 Å²	6	21.9 Å²	21.9	4%	0.039	13%	0.13	C	C	.	.			trans	-61.8	142.2	-178.2	29.9	-36.8	0	0	0	111.7	V365 M379 L382 M383	P359-V365 HydrophobicContact CB-CG2 4.22Å; P359-M379 HydrophobicContact CG-CB 4.18Å; P359-M379 HydrophobicContact CG-CG 4.19Å; P359-L382 HydrophobicContact CG-CB 4.07Å; P359-L382 HydrophobicContact CG-CD1 4.08Å; P359-M383 HydrophobicContact CB-CG 3.86Å; P359-M383 HydrophobicContact CB-SD 4.01Å; P359-M383 HydrophobicContact CG-CG 4.24Å
360	Q	92.7	Very high	93.3	Very high	101 Å²	101	21.9 Å²	21.9	47%	0.472	13%	0.131	S	C	.	.			trans	-104.9	161.4	-178.1	-53.9	-63.9	-47.2	0	0	111.9	S358 E363 M383	S358-Q360 PolarHBondContact O-NE2 3.28Å; Q360-E363 VanDerWaalsContact CB-CD 3.49Å; Q360-E363 HydrophobicContact CB-CG 4.01Å; Q360-E363 WeakPolarHBondContact CB-OE1 3.17Å; Q360-E363 PolarHBondContact N-OE2 3.43Å; Q360-E363 PolarHBondContact O-N 2.79Å; Q360-M383 WeakPolarHBondContact O-CE 3.42Å; Q360-M383 WeakPolarHBondContact O-CG 3.46Å
361	E	93.6	Very high	93.2	Very high	101 Å²	101	20.8 Å²	20.8	47%	0.472	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	138.3	176	-63.1	-175.3	-174.8	0	0	110.9	E363 R384 T386	E361-E363 VanDerWaalsContact C-N 3.3Å; E361-E363 PolarHBondContact O-N 2.77Å; E361-R384 WeakPolarHBondContact OE1-CD 3.24Å; E361-R384 IonicContact OE1-CZ 3.46Å; E361-R384 IonicContact OE1-NE 3.66Å; E361-R384 PolarHBondContact OE1-NE 2.82Å; E361-R384 IonicContact OE1-NH1 3.67Å; E361-R384 PolarHBondContact OE1-NH1 2.9Å; E361-T386 WeakPolarHBondContact CA-OG1 3.13Å; E361-T386 VanDerWaalsContact CB-OG1 3.28Å; E361-T386 WeakPolarHBondContact CB-OG1 3.45Å
362	G	90.5	Very high	93	Very high	57 Å²	57	24.4 Å²	24.4	59%	0.588	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.5	-5.6	178.1	0	0	0	0	0	116.9	T386	G362-T386 PolarHBondContact N-OG1 3.01Å
363	E	93	Very high	92.9	Very high	5 Å²	5	24.4 Å²	24.4	2%	0.023	15%	0.146	C	C	.	.			trans	-75.1	159.1	-179.7	-68.8	179.7	160.4	0	0	113.5	Q360 E361 V365 M383 V388 D432 R433	Q360-E363 VanDerWaalsContact CB-CD 3.49Å; Q360-E363 HydrophobicContact CB-CG 4.01Å; Q360-E363 WeakPolarHBondContact CB-OE1 3.17Å; Q360-E363 PolarHBondContact N-OE2 3.43Å; Q360-E363 PolarHBondContact O-N 2.79Å; E361-E363 VanDerWaalsContact C-N 3.3Å; E361-E363 PolarHBondContact O-N 2.77Å; E363-V365 HydrophobicContact CB-CG2 4.2Å; E363-M383 HydrophobicContact CB-CE 4.27Å; E363-M383 WeakPolarHBondContact O-CE 3.38Å; E363-V388 PolarHBondContact O-N 3.29Å; E363-D432 HydrophobicContact CB-CB 4.17Å; E363-D432 HydrophobicContact CG-CB 4.31Å; E363-R433 VanDerWaalsContact CD-NE 3.34Å; E363-R433 IonicContact OE1-CZ 2.97Å; E363-R433 IonicContact OE1-NE 3.9Å; E363-R433 PolarHBondContact OE1-NE 3.04Å; E363-R433 VanDerWaalsContact OE1-NE 3.17Å; E363-R433 IonicContact OE1-NH2 3.65Å; E363-R433 PolarHBondContact OE1-NH2 2.82Å; E363-R433 WeakPolarHBondContact OE2-CD 3.45Å; E363-R433 IonicContact OE2-CZ 2.59Å; E363-R433 IonicContact OE2-NE 3.55Å; E363-R433 PolarHBondContact OE2-NE 3.23Å; E363-R433 IonicContact OE2-NH2 2.79Å
364	L	93.8	Very high	92.9	Very high	42 Å²	42	24.7 Å²	24.7	22%	0.22	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	110.5	168.9	-179	65.3	0	0	0	109.9	V388 V390 F431 D432 R433	L364-V388 WeakPolarHBondContact CA-O 3.39Å; L364-V388 HydrophobicContact CD1-CB 3.66Å; L364-V388 HydrophobicContact CD1-CG1 3.76Å; L364-V390 HydrophobicContact CD1-CG2 4.38Å; L364-F431 HydrophobicContact CD1-CD1 4.22Å; L364-F431 HydrophobicContact CD1-CE1 4.04Å; L364-F431 HydrophobicContact CD2-CD1 3.99Å; L364-F431 HydrophobicContact CD2-CE1 4.14Å; L364-F431 HydrophobicContact CG-CD1 3.59Å; L364-F431 HydrophobicContact CG-CE1 3.87Å; L364-F431 HydrophobicContact CG-CG 4.48Å; L364-D432 PolarHBondContact N-OD2 3.29Å; L364-D432 PolarHBondContact O-N 3.5Å; L364-R433 PolarHBondContact O-N 3.25Å
365	V	95.3	Very high	92.9	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	135.4	-174	-173.8	0	0	0	0	111.2	L357 P359 E363 M379 M383 V388 I389 V390 R433	L357-V365 HydrophobicContact CD2-CG1 4.19Å; P359-V365 HydrophobicContact CB-CG2 4.22Å; E363-V365 HydrophobicContact CB-CG2 4.2Å; V365-M379 HydrophobicContact CG1-CE 4.4Å; V365-M379 HydrophobicContact CG1-SD 3.68Å; V365-M383 HydrophobicContact CG2-CE 3.85Å; V365-M383 HydrophobicContact CG2-SD 3.83Å; V365-V388 PolarHBondContact N-O 3.22Å; V365-I389 HydrophobicContact CB-CG1 4.46Å; V365-I389 CarbonylContact O-C 3.54Å; V365-I389 VanDerWaalsContact O-CA 3.32Å; V365-I389 WeakPolarHBondContact O-CA 3.19Å; V365-V390 PolarHBondContact O-N 3.38Å; V365-R433 WeakPolarHBondContact CA-O 3.42Å; V365-R433 HydrophobicContact CG1-CB 4.25Å; V365-R433 HydrophobicContact CG2-CB 4.27Å
366	L	95.3	Very high	93	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	130.9	174.2	179	60.9	0	0	0	111	M368 V390 F424 F431 R433 V434 L435	L366-M368 HydrophobicContact CD2-CG 3.62Å; L366-M368 HydrophobicContact CD2-SD 4.4Å; L366-M368 HydrophobicContact CG-CG 3.81Å; L366-V390 HydrophobicContact CD1-CB 3.96Å; L366-V390 HydrophobicContact CD1-CG1 4Å; L366-F424 HydrophobicContact CD1-CD1 4.01Å; L366-F424 HydrophobicContact CD1-CE1 3.31Å; L366-F424 HydrophobicContact CD1-CE2 4.26Å; L366-F424 HydrophobicContact CD1-CZ 3.47Å; L366-F424 VanDerWaalsContact CD1-CZ 3.47Å; L366-F424 HydrophobicContact CD2-CD1 3.51Å; L366-F424 HydrophobicContact CD2-CE1 3.56Å; L366-F424 HydrophobicContact CD2-CG 4.43Å; L366-F424 HydrophobicContact CD2-CZ 4.5Å; L366-F424 HydrophobicContact CG-CD1 4.43Å; L366-F424 HydrophobicContact CG-CE1 4.08Å; L366-F431 HydrophobicContact CB-CB 4.41Å; L366-F431 HydrophobicContact CB-CD1 3.55Å; L366-F431 HydrophobicContact CB-CD2 4.13Å; L366-F431 HydrophobicContact CB-CE1 3.79Å; L366-F431 HydrophobicContact CB-CE2 4.32Å; L366-F431 HydrophobicContact CB-CG 3.76Å; L366-F431 HydrophobicContact CB-CZ 4.18Å; L366-F431 HydrophobicContact CD1-CE1 4.31Å; L366-F431 HydrophobicContact CD1-CZ 4.14Å; L366-F431 HydrophobicContact CD2-CD2 4.04Å; L366-F431 HydrophobicContact CD2-CE2 3.96Å; L366-F431 HydrophobicContact CD2-CG 4.5Å; L366-F431 HydrophobicContact CD2-CZ 4.36Å; L366-F431 HydrophobicContact CG-CZ 4.46Å; L366-R433 PolarHBondContact N-O 2.97Å; L366-V434 HydrophobicContact CB-CB 4.46Å; L366-V434 HydrophobicContact CB-CG1 4.24Å; L366-V434 HydrophobicContact CB-CG2 4.01Å; L366-V434 HydrophobicContact CD2-CG1 4.14Å; L366-V434 HydrophobicContact CD2-CG2 4.29Å; L366-V434 HydrophobicContact CG-CG1 4.33Å; L366-V434 CarbonylContact O-C 3.47Å; L366-V434 WeakPolarHBondContact O-CA 3.32Å; L366-L435 PolarHBondContact O-N 2.97Å
367	D	95.9	Very high	93.1	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	105.8	162.9	-162.2	-22.8	0	0	0	108.5	S369 S370 T376 M379 V390 N392	D367-S369 VanDerWaalsContact C-N 3.32Å; D367-S369 PolarHBondContact O-N 2.85Å; D367-S370 WeakPolarHBondContact OD1-CA 3.36Å; D367-T376 PolarHBondContact OD2-N 2.96Å; D367-T376 PolarHBondContact OD2-OG1 3.39Å; D367-M379 HydrophobicContact CB-CE 3.71Å; D367-M379 WeakPolarHBondContact OD2-CE 3.18Å; D367-V390 PolarHBondContact N-O 3.4Å; D367-N392 PolarHBondContact O-N 3.46Å
368	M	93.3	Very high	93.2	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-22.8	-172	-72.6	-172.7	76.9	0	0	114	L366 N392 G421 V434 L435 L436 L471 A475	L366-M368 HydrophobicContact CD2-CG 3.62Å; L366-M368 HydrophobicContact CD2-SD 4.4Å; L366-M368 HydrophobicContact CG-CG 3.81Å; M368-N392 CarbonylContact C-O 3.58Å; M368-N392 VanDerWaalsContact C-O 3.22Å; M368-N392 PolarHBondContact O-ND2 3.31Å; M368-N392 VanDerWaalsContact O-O 3.11Å; M368-G421 WeakPolarHBondContact CE-O 3.28Å; M368-V434 HydrophobicContact CG-CG1 4Å; M368-V434 HydrophobicContact SD-CG1 4Å; M368-L435 PolarHBondContact N-O 3.39Å; M368-L436 HydrophobicContact CB-CD1 3.87Å; M368-L436 HydrophobicContact SD-CD1 4.17Å; M368-L471 HydrophobicContact CE-CD2 4.42Å; M368-A475 HydrophobicContact CE-CB 4.39Å; M368-A475 WeakPolarHBondContact SD-CA 3.4Å; M368-A475 HydrophobicContact SD-CB 3.3Å; M368-A475 WeakPolarHBondContact SD-CB 3.45Å
369	S	92.5	Very high	93.4	Very high	22 Å²	22	21.4 Å²	21.4	15%	0.154	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-145.6	67.3	-174.9	-71.4	0	0	0	0	108.9	D367 A371 N392 D437	D367-S369 VanDerWaalsContact C-N 3.32Å; D367-S369 PolarHBondContact O-N 2.85Å; S369-A371 PolarHBondContact O-N 2.86Å; S369-N392 CarbonylContact C-O 3.57Å; S369-N392 VanDerWaalsContact CA-O 3.3Å; S369-N392 WeakPolarHBondContact CA-O 3.34Å; S369-N392 PolarHBondContact N-O 2.86Å; S369-D437 WeakPolarHBondContact CB-O 3.43Å
370	S	90.9	Very high	93.5	Very high	4 Å²	4	21.1 Å²	21.1	3%	0.028	13%	0.126	C	C	.	.			trans	-69.8	-30.7	-166.2	168.2	0	0	0	0	113.8	D367 G373 T376 N392	D367-S370 WeakPolarHBondContact OD1-CA 3.36Å; S370-G373 VanDerWaalsContact O-CA 3.25Å; S370-G373 WeakPolarHBondContact O-CA 3.5Å; S370-G373 PolarHBondContact O-N 2.7Å; S370-T376 WeakPolarHBondContact CB-OG1 3.22Å; S370-T376 PolarHBondContact OG-OG1 3.33Å; S370-N392 PolarHBondContact N-O 2.79Å
371	A	89.8	Confident	93.6	Very high	3 Å²	3	16.6 Å²	16.6	3%	0.025	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	133.3	-166.5	0	0	0	0	0	112.7	S369 D393 R398 V402	S369-A371 PolarHBondContact O-N 2.86Å; A371-D393 HydrophobicContact CB-CB 4.28Å; A371-D393 WeakPolarHBondContact CB-OD2 3.21Å; A371-D393 PolarHBondContact N-OD2 2.54Å; A371-R398 HydrophobicContact CB-CB 3.64Å; A371-R398 PolarHBondContact O-NH2 3.24Å; A371-V402 VanDerWaalsContact CA-CG2 3.47Å; A371-V402 HydrophobicContact CB-CG2 3.62Å
372	P	89.5	Confident	93.6	Very high	75 Å²	75	15 Å²	15	49%	0.487	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	cis	-89.7	10.4	15.5	35.4	-37.8	0	0	0	117.2	N405	P372-N405 PolarHBondContact O-ND2 2.98Å
373	G	90.5	Very high	93.8	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.071	C	C	.	.	S	Bend	trans	97.3	5.3	174.8	0	0	0	0	0	114.6	S370 S377	S370-G373 VanDerWaalsContact O-CA 3.25Å; S370-G373 WeakPolarHBondContact O-CA 3.5Å; S370-G373 PolarHBondContact O-N 2.7Å; G373-S377 WeakPolarHBondContact O-CB 3.44Å; G373-S377 PolarHBondContact O-N 2.76Å; G373-S377 PolarHBondContact O-OG 3.01Å
374	G	93.2	Very high	93.9	Very high	6 Å²	6	20.4 Å²	20.4	6%	0.062	10%	0.102	C	C	.	.	H	α-helix	trans	-62.9	-51.1	-179.8	0	0	0	0	0	112.5	S377 Y378	G374-S377 PolarHBondContact O-N 3.24Å; G374-S377 PolarHBondContact O-OG 2.98Å; G374-Y378 PolarHBondContact O-N 3.14Å; G374-Y378 VanDerWaalsContact O-N 3.14Å
375	K	94.8	Very high	93.9	Very high	14 Å²	14	20.5 Å²	20.5	6%	0.061	10%	0.102	C	C	.	.	H	α-helix	trans	-63.6	-44.9	178.5	-67.7	171.3	-179.1	165.1	0	111.7	V354 S377 Y378 M379 L435 D437	V354-K375 HydrophobicContact CG2-CB 3.94Å; V354-K375 HydrophobicContact CG2-CG 4.26Å; K375-S377 VanDerWaalsContact C-N 3.35Å; K375-S377 PolarHBondContact O-N 2.96Å; K375-Y378 WeakPolarHBondContact O-CA 3.38Å; K375-Y378 WeakPolarHBondContact O-CB 3.35Å; K375-Y378 PolarHBondContact O-N 3.19Å; K375-M379 PolarHBondContact O-N 2.97Å; K375-L435 HydrophobicContact CB-CD2 3.86Å; K375-L435 HydrophobicContact CD-CD2 4.29Å; K375-D437 HydrophobicContact CD-CB 4.17Å; K375-D437 IonicContact NZ-OD1 2.76Å; K375-D437 PolarHBondContact NZ-OD1 3.06Å; K375-D437 IonicContact NZ-OD2 2.8Å; K375-D437 PolarHBondContact NZ-OD2 2.78Å
376	T	96	Very high	93.9	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-55.1	-47.9	174	-38.6	0	0	0	0	112.3	D367 S370 Y378 M379 A380 I389 A391 L406	D367-T376 PolarHBondContact OD2-N 2.96Å; D367-T376 PolarHBondContact OD2-OG1 3.39Å; S370-T376 WeakPolarHBondContact CB-OG1 3.22Å; S370-T376 PolarHBondContact OG-OG1 3.33Å; T376-Y378 PolarHBondContact O-N 3.3Å; T376-M379 PolarHBondContact O-N 2.94Å; T376-A380 PolarHBondContact O-N 3.43Å; T376-I389 HydrophobicContact CG2-CG2 3.67Å; T376-A391 HydrophobicContact CG2-CB 3.66Å; T376-L406 HydrophobicContact CG2-CD2 4.28Å
377	S	95.6	Very high	93.8	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-66.3	-22.6	178.1	78.2	0	0	0	0	112.8	R290 G373 G374 K375 Q381 L409	R290-S377 VanDerWaalsContact CZ-OG 3.32Å; R290-S377 PolarHBondContact NH1-O 3.15Å; R290-S377 PolarHBondContact NH1-OG 3.27Å; R290-S377 VanDerWaalsContact NH1-OG 3.11Å; R290-S377 PolarHBondContact NH2-OG 2.64Å; G373-S377 WeakPolarHBondContact O-CB 3.44Å; G373-S377 PolarHBondContact O-N 2.76Å; G373-S377 PolarHBondContact O-OG 3.01Å; G374-S377 PolarHBondContact O-N 3.24Å; G374-S377 PolarHBondContact O-OG 2.98Å; K375-S377 VanDerWaalsContact C-N 3.35Å; K375-S377 PolarHBondContact O-N 2.96Å; S377-Q381 WeakPolarHBondContact O-CG 3.32Å; S377-Q381 PolarHBondContact O-N 2.92Å; S377-L409 VanDerWaalsContact CB-CD1 3.46Å; S377-L409 WeakPolarHBondContact OG-CD1 3.34Å
378	Y	95.7	Very high	93.8	Very high	12 Å²	12	27.2 Å²	27.2	5%	0.047	15%	0.149	C	C	.	.	H	α-helix	trans	-80.5	-37	176.5	-169.1	-151.4	0	0	0	111.6	V321 F351 V354 M355 G374 K375 T376 A380 Q381 L382	V321-Y378 HydrophobicContact CG2-CE2 3.97Å; F351-Y378 HydrophobicContact CB-CE1 4.14Å; V354-Y378 HydrophobicContact CB-CD1 3.42Å; V354-Y378 VanDerWaalsContact CB-CD1 3.42Å; V354-Y378 HydrophobicContact CB-CE1 3.87Å; V354-Y378 HydrophobicContact CB-CG 4.26Å; V354-Y378 HydrophobicContact CG1-CD1 3.4Å; V354-Y378 HydrophobicContact CG1-CE1 3.88Å; V354-Y378 HydrophobicContact CG1-CG 3.81Å; V354-Y378 HydrophobicContact CG2-CD1 3.93Å; M355-Y378 HydrophobicContact CG-CE1 4.09Å; G374-Y378 PolarHBondContact O-N 3.14Å; G374-Y378 VanDerWaalsContact O-N 3.14Å; K375-Y378 WeakPolarHBondContact O-CA 3.38Å; K375-Y378 WeakPolarHBondContact O-CB 3.35Å; K375-Y378 PolarHBondContact O-N 3.19Å; T376-Y378 PolarHBondContact O-N 3.3Å; Y378-A380 VanDerWaalsContact C-N 3.31Å; Y378-A380 PolarHBondContact O-N 3.16Å; Y378-Q381 HydrophobicContact CD2-CB 4.36Å; Y378-Q381 WeakPolarHBondContact O-CB 3Å; Y378-Q381 PolarHBondContact O-N 3.48Å; Y378-L382 HydrophobicContact CD2-CG 4.4Å; Y378-L382 HydrophobicContact CE2-CD1 4.47Å; Y378-L382 HydrophobicContact CE2-CD2 4.17Å; Y378-L382 HydrophobicContact CE2-CG 4.17Å; Y378-L382 WeakPolarHBondContact O-CG 3.46Å; Y378-L382 PolarHBondContact O-N 2.91Å; Y378-L382 VanDerWaalsContact O-N 3.08Å
379	M	95.8	Very high	93.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-58.9	-45.4	168.4	-64.2	-171.6	-70.4	0	0	110.8	V354 L357 P359 V365 D367 K375 T376 Q381 L382 M383 I389 L435	V354-M379 HydrophobicContact CG1-CG 3.72Å; V354-M379 HydrophobicContact CG2-CG 4.12Å; L357-M379 HydrophobicContact CD2-SD 3.62Å; P359-M379 HydrophobicContact CG-CB 4.18Å; P359-M379 HydrophobicContact CG-CG 4.19Å; V365-M379 HydrophobicContact CG1-CE 4.4Å; V365-M379 HydrophobicContact CG1-SD 3.68Å; D367-M379 HydrophobicContact CB-CE 3.71Å; D367-M379 WeakPolarHBondContact OD2-CE 3.18Å; K375-M379 PolarHBondContact O-N 2.97Å; T376-M379 PolarHBondContact O-N 2.94Å; M379-Q381 VanDerWaalsContact C-N 3.28Å; M379-Q381 PolarHBondContact O-N 2.78Å; M379-L382 PolarHBondContact O-N 3.33Å; M379-M383 WeakPolarHBondContact O-CB 3.19Å; M379-M383 VanDerWaalsContact O-CG 3.24Å; M379-M383 WeakPolarHBondContact O-CG 3.3Å; M379-M383 PolarHBondContact O-N 3.39Å; M379-I389 HydrophobicContact CB-CD1 4.02Å; M379-I389 HydrophobicContact CE-CG2 4.33Å; M379-L435 HydrophobicContact CE-CB 4.33Å; M379-L435 HydrophobicContact CE-CD2 3.92Å; M379-L435 HydrophobicContact SD-CB 4.14Å; M379-L435 HydrophobicContact SD-CD2 3.95Å
380	A	95.8	Very high	94.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-59.5	-36.6	176.7	0	0	0	0	0	113.8	T376 Y378 R384 N385 I389 V411	T376-A380 PolarHBondContact O-N 3.43Å; Y378-A380 VanDerWaalsContact C-N 3.31Å; Y378-A380 PolarHBondContact O-N 3.16Å; A380-R384 PolarHBondContact O-N 3.19Å; A380-R384 VanDerWaalsContact O-N 3.08Å; A380-N385 PolarHBondContact O-N 3.17Å; A380-I389 VanDerWaalsContact CA-CD1 3.45Å; A380-I389 HydrophobicContact CB-CD1 3.69Å; A380-I389 VanDerWaalsContact N-CD1 3.33Å; A380-V411 HydrophobicContact CB-CB 4.26Å; A380-V411 HydrophobicContact CB-CG1 3.48Å; A380-V411 VanDerWaalsContact CB-CG1 3.48Å; A380-V411 HydrophobicContact CB-CG2 3.79Å
381	Q	94.7	Very high	94.3	Very high	6 Å²	6	26.2 Å²	26.2	3%	0.028	14%	0.142	C	C	.	.	H	α-helix	trans	-65.6	-45.2	175.3	-81.3	168.6	2.9	0	0	112.8	R290 N292 L294 S377 Y378 M379 M383 R384	R290-Q381 VanDerWaalsContact CZ-CD 3.44Å; R290-Q381 VanDerWaalsContact NH2-NE2 3.1Å; N292-Q381 WeakPolarHBondContact OD1-CG 3.38Å; N292-Q381 PolarHBondContact OD1-NE2 2.94Å; L294-Q381 HydrophobicContact CD1-CG 3.91Å; L294-Q381 HydrophobicContact CG-CB 4.49Å; L294-Q381 HydrophobicContact CG-CG 3.88Å; S377-Q381 WeakPolarHBondContact O-CG 3.32Å; S377-Q381 PolarHBondContact O-N 2.92Å; Y378-Q381 HydrophobicContact CD2-CB 4.36Å; Y378-Q381 WeakPolarHBondContact O-CB 3Å; Y378-Q381 PolarHBondContact O-N 3.48Å; M379-Q381 VanDerWaalsContact C-N 3.28Å; M379-Q381 PolarHBondContact O-N 2.78Å; Q381-M383 VanDerWaalsContact C-N 3.33Å; Q381-R384 PolarHBondContact O-N 3.1Å
382	L	94.1	Very high	94.6	Very high	67 Å²	67	26.1 Å²	26.1	35%	0.351	14%	0.141	S	C	.	.	H	α-helix	trans	-66.7	-37.7	178.5	-67.2	-179.7	0	0	0	111.4	V354 P359 Y378 M379 R384	V354-L382 HydrophobicContact CG1-CD1 3.7Å; P359-L382 HydrophobicContact CG-CB 4.07Å; P359-L382 HydrophobicContact CG-CD1 4.08Å; Y378-L382 HydrophobicContact CD2-CG 4.4Å; Y378-L382 HydrophobicContact CE2-CD1 4.47Å; Y378-L382 HydrophobicContact CE2-CD2 4.17Å; Y378-L382 HydrophobicContact CE2-CG 4.17Å; Y378-L382 WeakPolarHBondContact O-CG 3.46Å; Y378-L382 PolarHBondContact O-N 2.91Å; Y378-L382 VanDerWaalsContact O-N 3.08Å; M379-L382 PolarHBondContact O-N 3.33Å; L382-R384 PolarHBondContact O-N 3.46Å
383	M	94.5	Very high	94.8	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	0.4	176	-59.8	171.1	74.5	0	0	113.4	P359 Q360 E363 V365 M379 Q381 N385 T386 I389	P359-M383 HydrophobicContact CB-CG 3.86Å; P359-M383 HydrophobicContact CB-SD 4.01Å; P359-M383 HydrophobicContact CG-CG 4.24Å; Q360-M383 WeakPolarHBondContact O-CE 3.42Å; Q360-M383 WeakPolarHBondContact O-CG 3.46Å; E363-M383 HydrophobicContact CB-CE 4.27Å; E363-M383 WeakPolarHBondContact O-CE 3.38Å; V365-M383 HydrophobicContact CG2-CE 3.85Å; V365-M383 HydrophobicContact CG2-SD 3.83Å; M379-M383 WeakPolarHBondContact O-CB 3.19Å; M379-M383 VanDerWaalsContact O-CG 3.24Å; M379-M383 WeakPolarHBondContact O-CG 3.3Å; M379-M383 PolarHBondContact O-N 3.39Å; Q381-M383 VanDerWaalsContact C-N 3.33Å; M383-N385 VanDerWaalsContact C-N 3.25Å; M383-N385 PolarHBondContact O-N 2.72Å; M383-N385 VanDerWaalsContact O-N 3.17Å; M383-T386 WeakPolarHBondContact CE-O 3.12Å; M383-T386 WeakPolarHBondContact O-CB 3.46Å; M383-T386 PolarHBondContact O-N 3.04Å; M383-T386 PolarHBondContact O-OG1 3.38Å; M383-I389 HydrophobicContact CE-CG1 4.28Å; M383-I389 HydrophobicContact SD-CD1 3.71Å; M383-I389 HydrophobicContact SD-CG1 3.67Å
384	R	94.6	Very high	94.9	Very high	177 Å²	177	26 Å²	26	67%	0.668	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.4	41.3	-177.6	-56.3	-169.9	-177.6	156.7	-9.4	114.3	E361 A380 Q381 L382 T386	E361-R384 WeakPolarHBondContact OE1-CD 3.24Å; E361-R384 IonicContact OE1-CZ 3.46Å; E361-R384 IonicContact OE1-NE 3.66Å; E361-R384 PolarHBondContact OE1-NE 2.82Å; E361-R384 IonicContact OE1-NH1 3.67Å; E361-R384 PolarHBondContact OE1-NH1 2.9Å; A380-R384 PolarHBondContact O-N 3.19Å; A380-R384 VanDerWaalsContact O-N 3.08Å; Q381-R384 PolarHBondContact O-N 3.1Å; L382-R384 PolarHBondContact O-N 3.46Å; R384-T386 PolarHBondContact O-N 3.21Å
385	N	95.1	Very high	94.9	Very high	43 Å²	43	29.1 Å²	29.1	23%	0.23	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	58	25.2	-175.5	-74.6	-19.9	0	0	0	114.9	A380 M383 G410	A380-N385 PolarHBondContact O-N 3.17Å; M383-N385 VanDerWaalsContact C-N 3.25Å; M383-N385 PolarHBondContact O-N 2.72Å; M383-N385 VanDerWaalsContact O-N 3.17Å; N385-G410 PolarHBondContact ND2-O 2.88Å
386	T	94.6	Very high	94.8	Very high	49 Å²	49	31.1 Å²	31.1	30%	0.301	18%	0.18	S	C	.	.			trans	-101.3	164.3	172.4	69.5	0	0	0	0	111.3	E361 G362 M383 R384 N413	E361-T386 WeakPolarHBondContact CA-OG1 3.13Å; E361-T386 VanDerWaalsContact CB-OG1 3.28Å; E361-T386 WeakPolarHBondContact CB-OG1 3.45Å; G362-T386 PolarHBondContact N-OG1 3.01Å; M383-T386 WeakPolarHBondContact CE-O 3.12Å; M383-T386 WeakPolarHBondContact O-CB 3.46Å; M383-T386 PolarHBondContact O-N 3.04Å; M383-T386 PolarHBondContact O-OG1 3.38Å; R384-T386 PolarHBondContact O-N 3.21Å; T386-N413 PolarHBondContact O-ND2 3.04Å
387	G	93.6	Very high	94.6	Very high	30 Å²	30	37.6 Å²	37.6	31%	0.309	21%	0.21	S	C	.	.	S	Bend	trans	70.4	-154.5	-177.5	0	0	0	0	0	113	N413	G387-N413 WeakPolarHBondContact O-CB 3.44Å
388	V	95.3	Very high	94.5	Very high	62 Å²	62	43 Å²	43	38%	0.376	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	128.5	-179.4	178.7	0	0	0	0	110.3	E363 L364 V365 V390 V415	E363-V388 PolarHBondContact O-N 3.29Å; L364-V388 WeakPolarHBondContact CA-O 3.39Å; L364-V388 HydrophobicContact CD1-CB 3.66Å; L364-V388 HydrophobicContact CD1-CG1 3.76Å; V365-V388 PolarHBondContact N-O 3.22Å; V388-V390 HydrophobicContact CG1-CG2 4.33Å; V388-V415 HydrophobicContact CG1-CG2 4.22Å
389	I	96.6	Very high	94.3	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	120.7	173.7	-58.5	168.1	0	0	0	108.6	V365 T376 M379 A380 M383 N413 S414 V415	V365-I389 HydrophobicContact CB-CG1 4.46Å; V365-I389 CarbonylContact O-C 3.54Å; V365-I389 VanDerWaalsContact O-CA 3.32Å; V365-I389 WeakPolarHBondContact O-CA 3.19Å; T376-I389 HydrophobicContact CG2-CG2 3.67Å; M379-I389 HydrophobicContact CB-CD1 4.02Å; M379-I389 HydrophobicContact CE-CG2 4.33Å; A380-I389 VanDerWaalsContact CA-CD1 3.45Å; A380-I389 HydrophobicContact CB-CD1 3.69Å; A380-I389 VanDerWaalsContact N-CD1 3.33Å; M383-I389 HydrophobicContact CE-CG1 4.28Å; M383-I389 HydrophobicContact SD-CD1 3.71Å; M383-I389 HydrophobicContact SD-CG1 3.67Å; I389-N413 PolarHBondContact N-O 2.89Å; I389-S414 CarbonylContact O-C 3.52Å; I389-S414 VanDerWaalsContact O-CA 3.23Å; I389-S414 WeakPolarHBondContact O-CA 3.22Å; I389-V415 PolarHBondContact O-N 2.98Å
390	V	95.8	Very high	94.2	Very high	6 Å²	6	50.1 Å²	50.1	4%	0.036	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	112.5	173.1	-175.6	0	0	0	0	108.6	L364 V365 L366 D367 V388 V415 F424 M428 F431	L364-V390 HydrophobicContact CD1-CG2 4.38Å; V365-V390 PolarHBondContact O-N 3.38Å; L366-V390 HydrophobicContact CD1-CB 3.96Å; L366-V390 HydrophobicContact CD1-CG1 4Å; D367-V390 PolarHBondContact N-O 3.4Å; V388-V390 HydrophobicContact CG1-CG2 4.33Å; V390-V415 CarbonylContact C-O 3.56Å; V390-V415 WeakPolarHBondContact CA-O 3.31Å; V390-F424 HydrophobicContact CG1-CZ 3.81Å; V390-M428 HydrophobicContact CG2-SD 4.14Å; V390-F431 HydrophobicContact CB-CE1 4.01Å; V390-F431 HydrophobicContact CB-CZ 4.39Å; V390-F431 HydrophobicContact CG2-CE1 3.74Å; V390-F431 HydrophobicContact CG2-CZ 4.21Å
391	A	96	Very high	94.1	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	104.2	-178.2	0	0	0	0	0	110	T376 V415 V416 S417	T376-A391 HydrophobicContact CG2-CB 3.66Å; A391-V415 PolarHBondContact N-O 3.36Å; A391-V416 HydrophobicContact CB-CG2 4.42Å; A391-V416 CarbonylContact O-C 3.22Å; A391-V416 WeakPolarHBondContact O-CA 3.36Å; A391-S417 PolarHBondContact O-N 3.37Å
392	N	94.8	Very high	94.1	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.005	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	142.5	-176.7	-173.4	66.2	0	0	0	111.8	D367 M368 S369 S370 S417 Y419 F424	D367-N392 PolarHBondContact O-N 3.46Å; M368-N392 CarbonylContact C-O 3.58Å; M368-N392 VanDerWaalsContact C-O 3.22Å; M368-N392 PolarHBondContact O-ND2 3.31Å; M368-N392 VanDerWaalsContact O-O 3.11Å; S369-N392 CarbonylContact C-O 3.57Å; S369-N392 VanDerWaalsContact CA-O 3.3Å; S369-N392 WeakPolarHBondContact CA-O 3.34Å; S369-N392 PolarHBondContact N-O 2.86Å; S370-N392 PolarHBondContact N-O 2.79Å; N392-S417 WeakPolarHBondContact CA-O 3.19Å; N392-S417 WeakPolarHBondContact CB-OG 3.41Å; N392-S417 PolarHBondContact OD1-O 3.27Å; N392-S417 PolarHBondContact OD1-OG 3.22Å; N392-Y419 PolarHBondContact ND2-O 2.97Å; N392-Y419 PolarHBondContact OD1-N 2.81Å; N392-Y419 PolarHBondContact OD1-O 3.31Å; N392-F424 HydrophobicContact CB-CD2 4.42Å; N392-F424 HydrophobicContact CB-CE2 3.97Å
393	D	94.4	Very high	94.2	Very high	7 Å²	7	52.3 Å²	52.3	4%	0.037	28%	0.282	C	S	.	.			trans	-149.5	145.9	165.6	-163	-72.5	0	0	0	108.6	A371 N395 R398 L399 S417 N418	A371-D393 HydrophobicContact CB-CB 4.28Å; A371-D393 WeakPolarHBondContact CB-OD2 3.21Å; A371-D393 PolarHBondContact N-OD2 2.54Å; D393-N395 VanDerWaalsContact C-N 3.31Å; D393-N395 PolarHBondContact OD1-N 3.21Å; D393-R398 IonicContact OD1-NH1 2.8Å; D393-R398 IonicContact OD2-CZ 3.47Å; D393-R398 IonicContact OD2-NH1 2.64Å; D393-R398 PolarHBondContact OD2-NH1 3.47Å; D393-L399 HydrophobicContact CB-CD2 3.56Å; D393-L399 HydrophobicContact CB-CG 4Å; D393-S417 PolarHBondContact N-O 3.34Å; D393-N418 WeakPolarHBondContact O-CA 3.28Å; D393-N418 PolarHBondContact O-OD1 3.06Å
394	A	92.4	Very high	94.1	Very high	67 Å²	67	54.2 Å²	54.2	55%	0.554	30%	0.301	S	S	*	.	S	Bend	trans	-76.3	-19.7	-179.9	0	0	0	0	0	113	N418	A394-N418 PolarHBondContact O-OD1 3.09Å
395	N	93.2	Very high	94.2	Very high	71 Å²	71	46.9 Å²	46.9	38%	0.38	28%	0.275	S	S	.	.			trans	-98.4	108.6	-177.6	-171.7	-24.3	0	0	0	111.7	D393 E397 R398 L399	D393-N395 VanDerWaalsContact C-N 3.31Å; D393-N395 PolarHBondContact OD1-N 3.21Å; N395-E397 PolarHBondContact O-N 3.02Å; N395-E397 VanDerWaalsContact O-N 3.17Å; N395-E397 WeakPolarHBondContact OD1-CB 3.48Å; N395-E397 PolarHBondContact OD1-N 2.95Å; N395-R398 HydrophobicContact CB-CB 4.19Å; N395-R398 HydrophobicContact CB-CG 4.03Å; N395-R398 PolarHBondContact O-N 2.86Å; N395-R398 VanDerWaalsContact O-N 3.16Å; N395-L399 PolarHBondContact O-N 2.91Å; N395-L399 VanDerWaalsContact O-N 3.14Å
396	A	91.6	Very high	94.2	Very high	56 Å²	56	45 Å²	45	46%	0.463	27%	0.265	S	S	.	.	H	α-helix	trans	-55.3	-32.5	177.7	0	0	0	0	0	114.3	N418	A396-N418 WeakPolarHBondContact CB-ND2 3.48Å
397	E	93.1	Very high	94.2	Very high	135 Å²	135	49.5 Å²	49.5	63%	0.631	28%	0.282	S	S	*	.	H	α-helix	trans	-73.4	-41.8	-179.6	-173	162.3	-149.6	0	0	111.5	N395 L399 K400	N395-E397 PolarHBondContact O-N 3.02Å; N395-E397 VanDerWaalsContact O-N 3.17Å; N395-E397 WeakPolarHBondContact OD1-CB 3.48Å; N395-E397 PolarHBondContact OD1-N 2.95Å; E397-L399 VanDerWaalsContact C-N 3.27Å; E397-L399 PolarHBondContact O-N 2.79Å; E397-K400 WeakPolarHBondContact O-CB 3.48Å; E397-K400 PolarHBondContact O-N 3.44Å
398	R	92.3	Very high	94.3	Very high	114 Å²	114	50.2 Å²	50.2	43%	0.43	28%	0.276	S	S	.	.	H	α-helix	trans	-67.2	-29.7	177.1	-63.8	-180	72.8	-136.1	4.5	112.1	A371 D393 N395 K400 S401 V402	A371-R398 HydrophobicContact CB-CB 3.64Å; A371-R398 PolarHBondContact O-NH2 3.24Å; D393-R398 IonicContact OD1-NH1 2.8Å; D393-R398 IonicContact OD2-CZ 3.47Å; D393-R398 IonicContact OD2-NH1 2.64Å; D393-R398 PolarHBondContact OD2-NH1 3.47Å; N395-R398 HydrophobicContact CB-CB 4.19Å; N395-R398 HydrophobicContact CB-CG 4.03Å; N395-R398 PolarHBondContact O-N 2.86Å; N395-R398 VanDerWaalsContact O-N 3.16Å; R398-K400 PolarHBondContact O-N 2.66Å; R398-S401 WeakPolarHBondContact O-CB 3.49Å; R398-S401 PolarHBondContact O-N 2.72Å; R398-S401 VanDerWaalsContact O-N 3.11Å; R398-V402 PolarHBondContact O-N 3.38Å
399	L	92.9	Very high	94.3	Very high	15 Å²	15	47.3 Å²	47.3	8%	0.079	26%	0.258	C	S	.	.	H	α-helix	trans	-62	-27.5	174.8	-74.6	177.8	0	0	0	113.6	D393 N395 E397 S401 V402 V403 V416 S417 N418	D393-L399 HydrophobicContact CB-CD2 3.56Å; D393-L399 HydrophobicContact CB-CG 4Å; N395-L399 PolarHBondContact O-N 2.91Å; N395-L399 VanDerWaalsContact O-N 3.14Å; E397-L399 VanDerWaalsContact C-N 3.27Å; E397-L399 PolarHBondContact O-N 2.79Å; L399-S401 PolarHBondContact O-N 3.01Å; L399-V402 HydrophobicContact CD2-CB 4.46Å; L399-V402 HydrophobicContact CD2-CG2 4.3Å; L399-V402 WeakPolarHBondContact O-CB 3.24Å; L399-V402 PolarHBondContact O-N 3.2Å; L399-V402 VanDerWaalsContact O-N 3.14Å; L399-V403 WeakPolarHBondContact O-CG2 3.13Å; L399-V403 PolarHBondContact O-N 2.92Å; L399-V416 HydrophobicContact CD2-CG1 3.69Å; L399-S417 WeakPolarHBondContact CD1-O 3.45Å; L399-N418 HydrophobicContact CD1-CB 3.48Å; L399-N418 VanDerWaalsContact CD1-CB 3.48Å
400	K	93.3	Very high	94.2	Very high	147 Å²	147	48.6 Å²	48.6	64%	0.639	27%	0.271	S	S	*	.	H	α-helix	trans	-59.7	-39.5	174.3	-62.3	174.9	-175	166.8	0	111.1	E397 R398 G404	E397-K400 WeakPolarHBondContact O-CB 3.48Å; E397-K400 PolarHBondContact O-N 3.44Å; R398-K400 PolarHBondContact O-N 2.66Å; K400-G404 PolarHBondContact O-N 2.77Å
401	S	93.4	Very high	94.2	Very high	63 Å²	63	48.9 Å²	48.9	44%	0.441	27%	0.273	S	S	.	.	H	α-helix	trans	-67.8	-38.9	175.9	-54.7	0	0	0	0	111.8	R398 L399 G404 N405	R398-S401 WeakPolarHBondContact O-CB 3.49Å; R398-S401 PolarHBondContact O-N 2.72Å; R398-S401 VanDerWaalsContact O-N 3.11Å; L399-S401 PolarHBondContact O-N 3.01Å; S401-G404 PolarHBondContact O-N 3.21Å; S401-N405 WeakPolarHBondContact O-CB 3.46Å; S401-N405 VanDerWaalsContact O-CG 3.29Å; S401-N405 PolarHBondContact O-N 2.58Å; S401-N405 PolarHBondContact O-ND2 3.04Å
402	V	94.7	Very high	94.1	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-59.5	-53.6	174.9	177.7	0	0	0	0	110.2	A371 R398 L399 G404 N405 L406 V416	A371-V402 VanDerWaalsContact CA-CG2 3.47Å; A371-V402 HydrophobicContact CB-CG2 3.62Å; R398-V402 PolarHBondContact O-N 3.38Å; L399-V402 HydrophobicContact CD2-CB 4.46Å; L399-V402 HydrophobicContact CD2-CG2 4.3Å; L399-V402 WeakPolarHBondContact O-CB 3.24Å; L399-V402 PolarHBondContact O-N 3.2Å; L399-V402 VanDerWaalsContact O-N 3.14Å; V402-G404 VanDerWaalsContact C-N 3.34Å; V402-G404 PolarHBondContact O-N 3.04Å; V402-N405 PolarHBondContact O-N 3.08Å; V402-L406 HydrophobicContact CG1-CD1 3.61Å; V402-L406 HydrophobicContact CG1-CG 4.17Å; V402-L406 WeakPolarHBondContact O-CB 3.39Å; V402-L406 VanDerWaalsContact O-CG 3.26Å; V402-L406 WeakPolarHBondContact O-CG 3.29Å; V402-L406 PolarHBondContact O-N 3.36Å; V402-V416 HydrophobicContact CG1-CG2 4.32Å
403	V	95.1	Very high	94.2	Very high	56 Å²	56	54.8 Å²	54.8	34%	0.339	31%	0.309	S	S	.	.	H	α-helix	trans	-57.3	-47.2	178.8	173.1	0	0	0	0	110.9	L399 N405 L406 H407 V416	L399-V403 WeakPolarHBondContact O-CG2 3.13Å; L399-V403 PolarHBondContact O-N 2.92Å; V403-N405 PolarHBondContact O-N 3.03Å; V403-L406 PolarHBondContact O-N 2.07Å; V403-H407 PolarHBondContact O-CD2 3.3Å; V403-H407 PolarHBondContact O-N 3.19Å; V403-V416 HydrophobicContact CG2-CB 4.34Å; V403-V416 HydrophobicContact CG2-CG1 4.09Å; V403-V416 HydrophobicContact CG2-CG2 4.14Å
404	G	94.3	Very high	94.2	Very high	40 Å²	40	55.8 Å²	55.8	41%	0.412	32%	0.317	S	S	.	.	H	α-helix	trans	-59.7	-43.5	177.5	0	0	0	0	0	113.3	K400 S401 V402 R408	K400-G404 PolarHBondContact O-N 2.77Å; S401-G404 PolarHBondContact O-N 3.21Å; V402-G404 VanDerWaalsContact C-N 3.34Å; V402-G404 PolarHBondContact O-N 3.04Å; G404-R408 WeakPolarHBondContact O-CB 3.43Å; G404-R408 PolarHBondContact O-N 3.2Å
405	N	95.3	Very high	94.3	Very high	22 Å²	22	56.4 Å²	56.4	12%	0.118	31%	0.313	C	S	.	.	H	α-helix	trans	-70	-42.2	179.3	-74.4	-32.7	0	0	0	112.3	M344 P372 S401 V402 V403 R408 L409	M344-N405 HydrophobicContact CE-CB 4.16Å; M344-N405 WeakPolarHBondContact CE-ND2 3.31Å; P372-N405 PolarHBondContact O-ND2 2.98Å; S401-N405 WeakPolarHBondContact O-CB 3.46Å; S401-N405 VanDerWaalsContact O-CG 3.29Å; S401-N405 PolarHBondContact O-N 2.58Å; S401-N405 PolarHBondContact O-ND2 3.04Å; V402-N405 PolarHBondContact O-N 3.08Å; V403-N405 PolarHBondContact O-N 3.03Å; N405-R408 PolarHBondContact O-N 3.39Å; N405-R408 PolarHBondContact OD1-NH1 3.1Å; N405-R408 VanDerWaalsContact OD1-NH1 3.11Å; N405-L409 WeakPolarHBondContact O-CB 3.42Å; N405-L409 VanDerWaalsContact O-CG 3.23Å; N405-L409 WeakPolarHBondContact O-CG 3.2Å; N405-L409 PolarHBondContact O-N 3.27Å
406	L	95.2	Very high	94.4	Very high	4 Å²	4	55.5 Å²	55.5	2%	0.021	31%	0.31	C	S	.	.	H	α-helix	trans	-62.8	-45.3	178.3	-67.6	174.3	0	0	0	111.4	T376 V402 V403 L409 G410 V411 V416	T376-L406 HydrophobicContact CG2-CD2 4.28Å; V402-L406 HydrophobicContact CG1-CD1 3.61Å; V402-L406 HydrophobicContact CG1-CG 4.17Å; V402-L406 WeakPolarHBondContact O-CB 3.39Å; V402-L406 VanDerWaalsContact O-CG 3.26Å; V402-L406 WeakPolarHBondContact O-CG 3.29Å; V402-L406 PolarHBondContact O-N 3.36Å; V403-L406 PolarHBondContact O-N 2.07Å; L406-L409 PolarHBondContact O-N 3.17Å; L406-G410 PolarHBondContact O-N 2.67Å; L406-V411 HydrophobicContact CB-CB 4.27Å; L406-V411 HydrophobicContact CD2-CB 3.93Å; L406-V411 HydrophobicContact CD2-CG1 4.02Å; L406-V411 HydrophobicContact CD2-CG2 3.92Å; L406-V411 PolarHBondContact O-N 3.35Å; L406-V416 HydrophobicContact CD1-CG2 3.73Å
407	H	94.9	Very high	94.5	Very high	143 Å²	143	53.7 Å²	53.7	66%	0.662	29%	0.294	S	S	*	.	H	α-helix	trans	-62.9	-45.1	174.7	-77.9	-61.8	0	0	0	112.5	V403 L409 G410	V403-H407 PolarHBondContact O-CD2 3.3Å; V403-H407 PolarHBondContact O-N 3.19Å; H407-L409 VanDerWaalsContact C-N 3.32Å; H407-L409 PolarHBondContact O-N 3.32Å; H407-G410 PolarHBondContact O-N 3.31Å
408	R	95.2	Very high	94.6	Very high	46 Å²	46	51 Å²	51	17%	0.174	28%	0.284	C	S	.	.	H	α-helix	trans	-59.6	-44.2	178.5	-170.1	-178.6	82.1	-139.6	2.9	111.5	K295 Y338 L339 G404 N405 G410	K295-R408 PolarHBondContact NZ-O 3.08Å; Y338-R408 WeakPolarHBondContact O-CD 3.48Å; Y338-R408 PolarHBondContact O-NE 3.14Å; Y338-R408 PolarHBondContact OH-NH1 3.02Å; Y338-R408 VanDerWaalsContact OH-NH1 3.11Å; Y338-R408 PolarHBondContact OH-NH2 3.09Å; L339-R408 WeakPolarHBondContact O-CG 3.34Å; G404-R408 WeakPolarHBondContact O-CB 3.43Å; G404-R408 PolarHBondContact O-N 3.2Å; N405-R408 PolarHBondContact O-N 3.39Å; N405-R408 PolarHBondContact OD1-NH1 3.1Å; N405-R408 VanDerWaalsContact OD1-NH1 3.11Å; R408-G410 VanDerWaalsContact C-N 3.26Å; R408-G410 PolarHBondContact O-N 2.98Å
409	L	95.3	Very high	94.6	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-76.8	-11.8	-178.1	-66.2	170.6	0	0	0	113.2	N292 K295 G341 M344 S377 N405 L406 H407 V411	N292-L409 HydrophobicContact CB-CD2 4.5Å; N292-L409 PolarHBondContact ND2-O 3.21Å; K295-L409 WeakPolarHBondContact CE-O 3.36Å; G341-L409 WeakPolarHBondContact O-CD2 3.49Å; M344-L409 HydrophobicContact CB-CD1 4.44Å; M344-L409 HydrophobicContact CB-CD2 4.39Å; M344-L409 HydrophobicContact SD-CD1 3.78Å; S377-L409 VanDerWaalsContact CB-CD1 3.46Å; S377-L409 WeakPolarHBondContact OG-CD1 3.34Å; N405-L409 WeakPolarHBondContact O-CB 3.42Å; N405-L409 VanDerWaalsContact O-CG 3.23Å; N405-L409 WeakPolarHBondContact O-CG 3.2Å; N405-L409 PolarHBondContact O-N 3.27Å; L406-L409 PolarHBondContact O-N 3.17Å; H407-L409 VanDerWaalsContact C-N 3.32Å; H407-L409 PolarHBondContact O-N 3.32Å; L409-V411 HydrophobicContact CB-CG2 4.3Å
410	G	94.9	Very high	94.6	Very high	27 Å²	27	53.9 Å²	53.9	28%	0.278	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	77	33	179.4	0	0	0	0	0	113	N385 L406 H407 R408	N385-G410 PolarHBondContact ND2-O 2.88Å; L406-G410 PolarHBondContact O-N 2.67Å; H407-G410 PolarHBondContact O-N 3.31Å; R408-G410 VanDerWaalsContact C-N 3.26Å; R408-G410 PolarHBondContact O-N 2.98Å
411	V	96.1	Very high	94.3	Very high	12 Å²	12	47.1 Å²	47.1	7%	0.073	27%	0.271	C	S	.	.			trans	-78.6	123.5	173.9	178.8	0	0	0	0	108.8	A380 L406 L409 N413	A380-V411 HydrophobicContact CB-CB 4.26Å; A380-V411 HydrophobicContact CB-CG1 3.48Å; A380-V411 VanDerWaalsContact CB-CG1 3.48Å; A380-V411 HydrophobicContact CB-CG2 3.79Å; L406-V411 HydrophobicContact CB-CB 4.27Å; L406-V411 HydrophobicContact CD2-CB 3.93Å; L406-V411 HydrophobicContact CD2-CG1 4.02Å; L406-V411 HydrophobicContact CD2-CG2 3.92Å; L406-V411 PolarHBondContact O-N 3.35Å; L409-V411 HydrophobicContact CB-CG2 4.3Å; V411-N413 WeakPolarHBondContact CG1-OD1 3.5Å
412	T	94.5	Very high	94.3	Very high	111 Å²	111	48.9 Å²	48.9	68%	0.681	27%	0.268	S	S	*	.			trans	-111.6	-21.2	-176.1	54.2	0	0	0	0	113.6	S414	T412-S414 PolarHBondContact O-N 3Å
413	N	94.9	Very high	93.9	Very high	15 Å²	15	54.4 Å²	54.4	8%	0.08	29%	0.294	C	S	.	.	S	Bend	trans	-94.2	20.8	-174.4	66.9	-23.3	0	0	0	113.7	T386 G387 I389 V411	T386-N413 PolarHBondContact O-ND2 3.04Å; G387-N413 WeakPolarHBondContact O-CB 3.44Å; I389-N413 PolarHBondContact N-O 2.89Å; V411-N413 WeakPolarHBondContact CG1-OD1 3.5Å
414	S	95.4	Very high	93.6	Very high	28 Å²	28	51.9 Å²	51.9	20%	0.196	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	132.5	-175	61.8	0	0	0	0	113.2	I389 T412	I389-S414 CarbonylContact O-C 3.52Å; I389-S414 VanDerWaalsContact O-CA 3.23Å; I389-S414 WeakPolarHBondContact O-CA 3.22Å; T412-S414 PolarHBondContact O-N 3Å
415	V	95	Very high	93.2	Very high	80 Å²	80	52 Å²	52	49%	0.485	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	119.9	170.3	-179.5	0	0	0	0	108.5	V388 I389 V390 A391	V388-V415 HydrophobicContact CG1-CG2 4.22Å; I389-V415 PolarHBondContact O-N 2.98Å; V390-V415 CarbonylContact C-O 3.56Å; V390-V415 WeakPolarHBondContact CA-O 3.31Å; A391-V415 PolarHBondContact N-O 3.36Å
416	V	95.3	Very high	92.8	Very high	52 Å²	52	59.6 Å²	59.6	32%	0.315	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	127.5	179.1	-176.6	0	0	0	0	110	A391 L399 V402 V403 L406	A391-V416 HydrophobicContact CB-CG2 4.42Å; A391-V416 CarbonylContact O-C 3.22Å; A391-V416 WeakPolarHBondContact O-CA 3.36Å; L399-V416 HydrophobicContact CD2-CG1 3.69Å; V402-V416 HydrophobicContact CG1-CG2 4.32Å; V403-V416 HydrophobicContact CG2-CB 4.34Å; V403-V416 HydrophobicContact CG2-CG1 4.09Å; V403-V416 HydrophobicContact CG2-CG2 4.14Å; L406-V416 HydrophobicContact CD1-CG2 3.73Å
417	S	93.5	Very high	92.3	Very high	18 Å²	18	63.1 Å²	63.1	13%	0.126	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	152.6	-179.7	67.7	0	0	0	0	112.5	A391 N392 D393 L399	A391-S417 PolarHBondContact O-N 3.37Å; N392-S417 WeakPolarHBondContact CA-O 3.19Å; N392-S417 WeakPolarHBondContact CB-OG 3.41Å; N392-S417 PolarHBondContact OD1-O 3.27Å; N392-S417 PolarHBondContact OD1-OG 3.22Å; D393-S417 PolarHBondContact N-O 3.34Å; L399-S417 WeakPolarHBondContact CD1-O 3.45Å
418	N	94.5	Very high	91.8	Very high	77 Å²	77	60.4 Å²	60.4	41%	0.412	31%	0.314	S	S	.	.			trans	-118.1	91.7	175.2	-176	5.3	0	0	0	109.9	D393 A394 A396 L399	D393-N418 WeakPolarHBondContact O-CA 3.28Å; D393-N418 PolarHBondContact O-OD1 3.06Å; A394-N418 PolarHBondContact O-OD1 3.09Å; A396-N418 WeakPolarHBondContact CB-ND2 3.48Å; L399-N418 HydrophobicContact CD1-CB 3.48Å; L399-N418 VanDerWaalsContact CD1-CB 3.48Å
419	Y	92.6	Very high	91.2	Very high	122 Å²	122	60.2 Å²	60.2	48%	0.478	33%	0.327	S	S	.	.			trans	-140.2	155.8	177.2	-68.1	-77.9	0	0	0	111	N392 G421 V427	N392-Y419 PolarHBondContact ND2-O 2.97Å; N392-Y419 PolarHBondContact OD1-N 2.81Å; N392-Y419 PolarHBondContact OD1-O 3.31Å; Y419-G421 PolarHBondContact O-N 3.06Å; Y419-V427 HydrophobicContact CD1-CG2 4.36Å; Y419-V427 HydrophobicContact CE2-CG1 4.34Å
420	D	92.4	Very high	90.8	Very high	69 Å²	69	61.9 Å²	61.9	37%	0.369	34%	0.344	S	S	.	.			trans	-69.2	121.5	167.2	-175.9	-3.7	0	0	0	109.7	R422 Q423 F424	D420-R422 PolarHBondContact O-N 3.34Å; D420-R422 VanDerWaalsContact O-N 3.09Å; D420-R422 WeakPolarHBondContact OD1-CG 3.39Å; D420-R422 PolarHBondContact OD1-N 3.36Å; D420-Q423 PolarHBondContact O-N 3.09Å; D420-F424 PolarHBondContact O-N 3Å
421	G	88.6	Confident	90.7	Very high	4 Å²	4	60.6 Å²	60.6	4%	0.041	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-55.7	-26.9	179.4	0	0	0	0	0	113.4	M368 Y419 Q423 F424 S474	M368-G421 WeakPolarHBondContact CE-O 3.28Å; Y419-G421 PolarHBondContact O-N 3.06Å; G421-Q423 VanDerWaalsContact C-N 3.27Å; G421-Q423 PolarHBondContact O-N 3.49Å; G421-F424 WeakPolarHBondContact O-CB 3.5Å; G421-F424 PolarHBondContact O-N 2.94Å; G421-S474 WeakPolarHBondContact O-CB 3.18Å
422	R	91.8	Very high	90.5	Very high	100 Å²	100	61.3 Å²	61.3	38%	0.377	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-63.5	-34	178.6	-60.5	173.6	-164.9	-161.1	14.9	112.4	D420 L467 E470 L471 S474	D420-R422 PolarHBondContact O-N 3.34Å; D420-R422 VanDerWaalsContact O-N 3.09Å; D420-R422 WeakPolarHBondContact OD1-CG 3.39Å; D420-R422 PolarHBondContact OD1-N 3.36Å; R422-L467 VanDerWaalsContact CZ-CD1 3.47Å; R422-E470 VanDerWaalsContact CD-OE2 3.22Å; R422-E470 WeakPolarHBondContact CD-OE2 3.27Å; R422-E470 HydrophobicContact CG-CB 4.32Å; R422-E470 IonicContact CZ-OE2 3.34Å; R422-E470 IonicContact NE-OE2 3.27Å; R422-E470 PolarHBondContact NE-OE2 2.94Å; R422-E470 IonicContact NH1-OE2 2.64Å; R422-E470 PolarHBondContact NH1-OE2 2.82Å; R422-L471 HydrophobicContact CG-CD2 3.92Å; R422-L471 HydrophobicContact CG-CG 4.43Å; R422-S474 WeakPolarHBondContact CA-OG 3.48Å; R422-S474 PolarHBondContact O-OG 2.89Å
423	Q	88.1	Confident	90.5	Very high	117 Å²	117	56.7 Å²	56.7	55%	0.547	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-100.9	-1.3	-176.2	-58.4	-172.8	6.8	0	0	112.9	D420 G421 K426	D420-Q423 PolarHBondContact O-N 3.09Å; G421-Q423 VanDerWaalsContact C-N 3.27Å; G421-Q423 PolarHBondContact O-N 3.49Å; Q423-K426 WeakPolarHBondContact O-CB 3.44Å; Q423-K426 PolarHBondContact O-N 3.1Å
424	F	86.9	Confident	90.5	Very high	3 Å²	3	56 Å²	56	1%	0.013	30%	0.301	C	S	.	.	H	α-helix	trans	-53.9	-40	-175.8	-156	-90.1	0	0	0	114.9	L366 V390 N392 D420 G421 K426 V427 M428 F431	L366-F424 HydrophobicContact CD1-CD1 4.01Å; L366-F424 HydrophobicContact CD1-CE1 3.31Å; L366-F424 HydrophobicContact CD1-CE2 4.26Å; L366-F424 HydrophobicContact CD1-CZ 3.47Å; L366-F424 VanDerWaalsContact CD1-CZ 3.47Å; L366-F424 HydrophobicContact CD2-CD1 3.51Å; L366-F424 HydrophobicContact CD2-CE1 3.56Å; L366-F424 HydrophobicContact CD2-CG 4.43Å; L366-F424 HydrophobicContact CD2-CZ 4.5Å; L366-F424 HydrophobicContact CG-CD1 4.43Å; L366-F424 HydrophobicContact CG-CE1 4.08Å; V390-F424 HydrophobicContact CG1-CZ 3.81Å; N392-F424 HydrophobicContact CB-CD2 4.42Å; N392-F424 HydrophobicContact CB-CE2 3.97Å; D420-F424 PolarHBondContact O-N 3Å; G421-F424 WeakPolarHBondContact O-CB 3.5Å; G421-F424 PolarHBondContact O-N 2.94Å; F424-K426 PolarHBondContact O-N 2.63Å; F424-V427 WeakPolarHBondContact O-CB 3.33Å; F424-V427 PolarHBondContact O-N 3.4Å; F424-M428 HydrophobicContact CE1-CB 4.09Å; F424-M428 HydrophobicContact CZ-CB 4.41Å; F424-M428 PolarHBondContact O-N 3.35Å; F424-F431 HydrophobicContact CD1-CE2 4.27Å; F424-F431 AromaticContact CE1-CE2 3.65Å; F424-F431 HydrophobicContact CE1-CE2 3.65Å; F424-F431 AromaticContact CE1-CZ 3.66Å; F424-F431 HydrophobicContact CE1-CZ 3.66Å; F424-F431 HydrophobicContact CZ-CZ 4.35Å
425	P	86.6	Confident	90.6	Very high	41 Å²	41	54.7 Å²	54.7	27%	0.266	29%	0.291	S	S	.	.	H	α-helix	trans	-55.7	-27.4	176.3	-24.9	31.4	0	0	0	114.6	S474 D477 S478	P425-S474 VanDerWaalsContact CG-O 3.24Å; P425-S474 WeakPolarHBondContact CG-O 3.46Å; P425-D477 HydrophobicContact CB-CB 4.34Å; P425-D477 HydrophobicContact CG-CB 4.14Å; P425-S478 WeakPolarHBondContact CG-OG 3.49Å
426	K	86.6	Confident	90.6	Very high	182 Å²	182	50.9 Å²	50.9	79%	0.791	27%	0.268	S	S	*	.	H	α-helix	trans	-79.3	-24.8	178.6	-59.2	-180	-179.4	178	0	112.5	Q423 F424	Q423-K426 WeakPolarHBondContact O-CB 3.44Å; Q423-K426 PolarHBondContact O-N 3.1Å; F424-K426 PolarHBondContact O-N 2.63Å
427	V	84.9	Confident	90.6	Very high	78 Å²	78	49.9 Å²	49.9	47%	0.473	26%	0.261	S	S	.	.	H	α-helix	trans	-84.7	-53.7	-179.8	-178	0	0	0	0	109.2	Y419 F424	Y419-V427 HydrophobicContact CD1-CG2 4.36Å; Y419-V427 HydrophobicContact CE2-CG1 4.34Å; F424-V427 WeakPolarHBondContact O-CB 3.33Å; F424-V427 PolarHBondContact O-N 3.4Å
428	M	84.8	Confident	90.6	Very high	86 Å²	86	49 Å²	49	42%	0.424	26%	0.255	S	S	.	.			trans	-148.9	132.4	-177.2	-162	173.3	-150.1	0	0	108.4	V390 F424 F431	V390-M428 HydrophobicContact CG2-SD 4.14Å; F424-M428 HydrophobicContact CE1-CB 4.09Å; F424-M428 HydrophobicContact CZ-CB 4.41Å; F424-M428 PolarHBondContact O-N 3.35Å; M428-F431 HydrophobicContact CB-CE2 4.18Å; M428-F431 HydrophobicContact CB-CZ 4.09Å; M428-F431 HydrophobicContact CG-CE2 4.04Å; M428-F431 HydrophobicContact CG-CZ 3.71Å; M428-F431 WeakPolarHBondContact O-CE2 3.39Å; M428-F431 HydrophobicContact SD-CE1 4.41Å; M428-F431 HydrophobicContact SD-CZ 3.76Å
429	G	82.9	Confident	90.5	Very high	42 Å²	42	48.1 Å²	48.1	43%	0.433	25%	0.254	S	S	.	.			trans	-138.5	179.6	174.7	0	0	0	0	0	109.9
430	G	85.7	Confident	90.4	Very high	36 Å²	36	43.9 Å²	43.9	37%	0.371	24%	0.242	S	C	.	.			trans	90.3	24.9	178.8	0	0	0	0	0	113.7	S478	G430-S478 PolarHBondContact N-O 3.19Å
431	F	92.8	Very high	90.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-73.1	142	178.1	-64.9	-87.7	0	0	0	111.2	L364 L366 V390 F424 M428 V434 S478 V479 N480	L364-F431 HydrophobicContact CD1-CD1 4.22Å; L364-F431 HydrophobicContact CD1-CE1 4.04Å; L364-F431 HydrophobicContact CD2-CD1 3.99Å; L364-F431 HydrophobicContact CD2-CE1 4.14Å; L364-F431 HydrophobicContact CG-CD1 3.59Å; L364-F431 HydrophobicContact CG-CE1 3.87Å; L364-F431 HydrophobicContact CG-CG 4.48Å; L366-F431 HydrophobicContact CB-CB 4.41Å; L366-F431 HydrophobicContact CB-CD1 3.55Å; L366-F431 HydrophobicContact CB-CD2 4.13Å; L366-F431 HydrophobicContact CB-CE1 3.79Å; L366-F431 HydrophobicContact CB-CE2 4.32Å; L366-F431 HydrophobicContact CB-CG 3.76Å; L366-F431 HydrophobicContact CB-CZ 4.18Å; L366-F431 HydrophobicContact CD1-CE1 4.31Å; L366-F431 HydrophobicContact CD1-CZ 4.14Å; L366-F431 HydrophobicContact CD2-CD2 4.04Å; L366-F431 HydrophobicContact CD2-CE2 3.96Å; L366-F431 HydrophobicContact CD2-CG 4.5Å; L366-F431 HydrophobicContact CD2-CZ 4.36Å; L366-F431 HydrophobicContact CG-CZ 4.46Å; V390-F431 HydrophobicContact CB-CE1 4.01Å; V390-F431 HydrophobicContact CB-CZ 4.39Å; V390-F431 HydrophobicContact CG2-CE1 3.74Å; V390-F431 HydrophobicContact CG2-CZ 4.21Å; F424-F431 HydrophobicContact CD1-CE2 4.27Å; F424-F431 AromaticContact CE1-CE2 3.65Å; F424-F431 HydrophobicContact CE1-CE2 3.65Å; F424-F431 AromaticContact CE1-CZ 3.66Å; F424-F431 HydrophobicContact CE1-CZ 3.66Å; F424-F431 HydrophobicContact CZ-CZ 4.35Å; M428-F431 HydrophobicContact CB-CE2 4.18Å; M428-F431 HydrophobicContact CB-CZ 4.09Å; M428-F431 HydrophobicContact CG-CE2 4.04Å; M428-F431 HydrophobicContact CG-CZ 3.71Å; M428-F431 WeakPolarHBondContact O-CE2 3.39Å; M428-F431 HydrophobicContact SD-CE1 4.41Å; M428-F431 HydrophobicContact SD-CZ 3.76Å; F431-V434 HydrophobicContact CB-CG2 3.88Å; F431-V434 HydrophobicContact CG-CG2 4.47Å; F431-S478 PolarHBondContact N-O 3.33Å; F431-S478 VanDerWaalsContact N-O 3.08Å; F431-V479 WeakPolarHBondContact O-CA 3.3Å; F431-N480 PolarHBondContact O-N 3.47Å
432	D	93.2	Very high	90.2	Very high	26 Å²	26	41 Å²	41	14%	0.139	23%	0.227	C	C	.	.	S	Bend	trans	-72.5	-40.7	174.2	-61.1	-50	0	0	0	110.3	E363 L364 S483 G486 G487 Y488	E363-D432 HydrophobicContact CB-CB 4.17Å; E363-D432 HydrophobicContact CG-CB 4.31Å; L364-D432 PolarHBondContact N-OD2 3.29Å; L364-D432 PolarHBondContact O-N 3.5Å; D432-S483 WeakPolarHBondContact OD1-CB 3.41Å; D432-S483 PolarHBondContact OD1-OG 3.43Å; D432-G486 CarbonylContact O-C 3.45Å; D432-G486 WeakPolarHBondContact O-CA 3.45Å; D432-G487 PolarHBondContact O-N 3.08Å; D432-Y488 PolarHBondContact O-N 3.02Å
433	R	94.3	Very high	90.1	Very high	15 Å²	15	36.2 Å²	36.2	6%	0.057	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	145.2	178.7	-61	-172.2	-160.3	-120.2	-9.9	111.5	L357 S358 E363 L364 V365 L366 S485 Y488	L357-R433 HydrophobicContact CD1-CB 4Å; L357-R433 HydrophobicContact CD2-CB 4.39Å; L357-R433 HydrophobicContact CG-CB 4.25Å; L357-R433 PolarHBondContact O-NH1 3.46Å; S358-R433 PolarHBondContact O-NH1 3Å; E363-R433 VanDerWaalsContact CD-NE 3.34Å; E363-R433 IonicContact OE1-CZ 2.97Å; E363-R433 IonicContact OE1-NE 3.9Å; E363-R433 PolarHBondContact OE1-NE 3.04Å; E363-R433 VanDerWaalsContact OE1-NE 3.17Å; E363-R433 IonicContact OE1-NH2 3.65Å; E363-R433 PolarHBondContact OE1-NH2 2.82Å; E363-R433 WeakPolarHBondContact OE2-CD 3.45Å; E363-R433 IonicContact OE2-CZ 2.59Å; E363-R433 IonicContact OE2-NE 3.55Å; E363-R433 PolarHBondContact OE2-NE 3.23Å; E363-R433 IonicContact OE2-NH2 2.79Å; L364-R433 PolarHBondContact O-N 3.25Å; V365-R433 WeakPolarHBondContact CA-O 3.42Å; V365-R433 HydrophobicContact CG1-CB 4.25Å; V365-R433 HydrophobicContact CG2-CB 4.27Å; L366-R433 PolarHBondContact N-O 2.97Å; R433-S485 PolarHBondContact NH2-O 2.86Å; R433-S485 VanDerWaalsContact NH2-O 3.14Å; R433-Y488 VanDerWaalsContact CA-O 3.28Å; R433-Y488 WeakPolarHBondContact CA-O 3.37Å
434	V	95.4	Very high	90	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	133.7	176.4	179.4	0	0	0	0	109.3	L357 L366 M368 F431 A475 V479 Y488 L489 V490	L357-V434 WeakPolarHBondContact CD1-O 3.46Å; L366-V434 HydrophobicContact CB-CB 4.46Å; L366-V434 HydrophobicContact CB-CG1 4.24Å; L366-V434 HydrophobicContact CB-CG2 4.01Å; L366-V434 HydrophobicContact CD2-CG1 4.14Å; L366-V434 HydrophobicContact CD2-CG2 4.29Å; L366-V434 HydrophobicContact CG-CG1 4.33Å; L366-V434 CarbonylContact O-C 3.47Å; L366-V434 WeakPolarHBondContact O-CA 3.32Å; M368-V434 HydrophobicContact CG-CG1 4Å; M368-V434 HydrophobicContact SD-CG1 4Å; F431-V434 HydrophobicContact CB-CG2 3.88Å; F431-V434 HydrophobicContact CG-CG2 4.47Å; V434-A475 HydrophobicContact CG1-CB 4.06Å; V434-V479 HydrophobicContact CB-CG2 3.83Å; V434-V479 HydrophobicContact CG2-CB 4.46Å; V434-V479 HydrophobicContact CG2-CG2 3.35Å; V434-Y488 PolarHBondContact N-O 3.45Å; V434-Y488 VanDerWaalsContact N-O 3.09Å; V434-L489 HydrophobicContact CB-CD1 3.69Å; V434-L489 HydrophobicContact CG1-CD1 3.65Å; V434-L489 WeakPolarHBondContact O-CA 3.37Å; V434-L489 WeakPolarHBondContact O-CD1 3.47Å; V434-V490 PolarHBondContact O-N 3.15Å
435	L	96.4	Very high	90.2	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	121.7	167.3	-174.2	63	0	0	0	108.6	P353 V354 L357 L366 M368 K375 M379 V490	P353-L435 HydrophobicContact CB-CD1 3.73Å; V354-L435 HydrophobicContact CG2-CD2 4.08Å; L357-L435 HydrophobicContact CD2-CB 4.04Å; L366-L435 PolarHBondContact O-N 2.97Å; M368-L435 PolarHBondContact N-O 3.39Å; K375-L435 HydrophobicContact CB-CD2 3.86Å; K375-L435 HydrophobicContact CD-CD2 4.29Å; M379-L435 HydrophobicContact CE-CB 4.33Å; M379-L435 HydrophobicContact CE-CD2 3.92Å; M379-L435 HydrophobicContact SD-CB 4.14Å; M379-L435 HydrophobicContact SD-CD2 3.95Å; L435-V490 HydrophobicContact CD1-CB 3.95Å; L435-V490 HydrophobicContact CD1-CG1 3.94Å
436	L	96.1	Very high	90.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	98.6	170.3	178.1	58.2	0	0	0	108.9	M368 A438 L471 L472 A475 L489 V490 Y491 C492	M368-L436 HydrophobicContact CB-CD1 3.87Å; M368-L436 HydrophobicContact SD-CD1 4.17Å; L436-A438 HydrophobicContact CD1-CB 4.32Å; L436-A438 HydrophobicContact CG-CB 4.1Å; L436-A438 PolarHBondContact O-N 2.64Å; L436-L471 HydrophobicContact CD1-CB 4.16Å; L436-L471 HydrophobicContact CD2-CB 4.03Å; L436-L472 HydrophobicContact CD2-CB 3.99Å; L436-L472 HydrophobicContact CD2-CD1 4.05Å; L436-A475 HydrophobicContact CB-CB 4.39Å; L436-A475 HydrophobicContact CD2-CB 4.07Å; L436-L489 HydrophobicContact CB-CD1 4.4Å; L436-V490 PolarHBondContact N-O 3.25Å; L436-Y491 HydrophobicContact CD2-CD2 3.84Å; L436-Y491 HydrophobicContact CD2-CE2 4.25Å; L436-Y491 HydrophobicContact CG-CD2 4.09Å; L436-C492 PolarHBondContact O-N 2.84Å; L436-C492 PolarHBondContact O-SG 2.75Å
437	D	95.1	Very high	90.3	Very high	31 Å²	31	22.3 Å²	22.3	17%	0.166	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	89.1	163.9	-175.2	29.7	0	0	0	109.3	S369 K375	S369-D437 WeakPolarHBondContact CB-O 3.43Å; K375-D437 HydrophobicContact CD-CB 4.17Å; K375-D437 IonicContact NZ-OD1 2.76Å; K375-D437 PolarHBondContact NZ-OD1 3.06Å; K375-D437 IonicContact NZ-OD2 2.8Å; K375-D437 PolarHBondContact NZ-OD2 2.78Å
438	A	93.2	Very high	90.4	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.008	15%	0.151	C	C	.	.			trans	-76.3	139.6	-164.6	0	0	0	0	0	111.4	L436 C440 Q468 Y491 C492 T493	L436-A438 HydrophobicContact CD1-CB 4.32Å; L436-A438 HydrophobicContact CG-CB 4.1Å; L436-A438 PolarHBondContact O-N 2.64Å; A438-C440 PolarHBondContact O-N 3.32Å; A438-C440 VanDerWaalsContact O-N 3.1Å; A438-C440 PolarHBondContact O-SG 3.05Å; A438-C440 VanDerWaalsContact O-SG 3.36Å; A438-Q468 HydrophobicContact CB-CB 4.37Å; A438-Q468 HydrophobicContact CB-CG 3.77Å; A438-Y491 HydrophobicContact CB-CD2 4.27Å; A438-Y491 HydrophobicContact CB-CE2 3.5Å; A438-C492 PolarHBondContact N-O 2.92Å; A438-T493 HydrophobicContact CB-CG2 4.05Å
439	P	91.6	Very high	90.5	Very high	58 Å²	58	24.1 Å²	24.1	38%	0.377	15%	0.152	S	C	.	.			trans	-60.6	117.7	176.2	25	-33.2	0	0	0	109.8	L467 Q468 L471	P439-L467 HydrophobicContact CB-CD2 4.47Å; P439-L467 HydrophobicContact CG-CD2 3.65Å; P439-L467 HydrophobicContact CG-CG 4.2Å; P439-Q468 PolarHBondContact O-NE2 3.24Å; P439-L471 HydrophobicContact CG-CD1 3.86Å
440	C	91.6	Very high	90.7	Very high	33 Å²	33	25.8 Å²	25.8	22%	0.223	16%	0.155	C	C	.	.			trans	-114.8	164.4	-170.3	29.4	0	0	0	0	112.7	A438 G442 C494 E500	A438-C440 PolarHBondContact O-N 3.32Å; A438-C440 VanDerWaalsContact O-N 3.1Å; A438-C440 PolarHBondContact O-SG 3.05Å; A438-C440 VanDerWaalsContact O-SG 3.36Å; C440-G442 PolarHBondContact O-N 2.9Å; C440-C494 WeakPolarHBondContact CB-SG 3.45Å; C440-C494 WeakPolarHBondContact SG-CB 3.43Å; C440-C494 PolarHBondContact SG-N 2.99Å; C440-C494 CovalentContact SG-SG 2.07Å; C440-C494 PolarHBondContact SG-SG 3.2Å; C440-E500 VanDerWaalsContact CA-OE1 3.31Å; C440-E500 WeakPolarHBondContact CA-OE1 3.48Å
441	S	89	Confident	90.9	Very high	4 Å²	4	26.4 Å²	26.4	3%	0.028	16%	0.156	C	C	.	.			trans	-60.1	-25.7	170.2	63.2	0	0	0	0	113.5	T443 K456 S495 E500	S441-T443 VanDerWaalsContact OG-CG2 3.31Å; S441-T443 WeakPolarHBondContact OG-CG2 3.29Å; S441-K456 WeakPolarHBondContact O-CE 3.36Å; S441-K456 PolarHBondContact O-NZ 3.47Å; S441-S495 PolarHBondContact OG-OG 3.11Å; S441-E500 VanDerWaalsContact CB-OE2 3.29Å; S441-E500 WeakPolarHBondContact CB-OE2 3.42Å; S441-E500 PolarHBondContact N-OE1 3.11Å; S441-E500 PolarHBondContact OG-OE2 3.29Å
442	G	88.4	Confident	90.6	Very high	7 Å²	7	26.6 Å²	26.6	7%	0.072	16%	0.158	C	C	.	.			trans	85.1	12.7	-179.2	0	0	0	0	0	114.7	C440 G444 V445 C494	C440-G442 PolarHBondContact O-N 2.9Å; G442-G444 PolarHBondContact O-N 2.81Å; G442-G444 VanDerWaalsContact O-N 3.09Å; G442-V445 WeakPolarHBondContact O-CG2 3.39Å; G442-V445 PolarHBondContact O-N 2.56Å; G442-C494 CarbonylContact C-O 3.57Å
443	T	89.1	Confident	90.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-17.4	-177.2	56.4	0	0	0	0	114.5	L261 S441 I446 V452 S495 I496 M497	L261-T443 HydrophobicContact CD1-CG2 4.24Å; S441-T443 VanDerWaalsContact OG-CG2 3.31Å; S441-T443 WeakPolarHBondContact OG-CG2 3.29Å; T443-I446 WeakPolarHBondContact O-CD1 3.07Å; T443-I446 WeakPolarHBondContact O-CG1 3.5Å; T443-V452 HydrophobicContact CG2-CG1 4.4Å; T443-S495 WeakPolarHBondContact OG1-CA 3.4Å; T443-S495 PolarHBondContact OG1-OG 3.48Å; T443-I496 PolarHBondContact OG1-N 2.89Å; T443-M497 HydrophobicContact CG2-CE 3.74Å; T443-M497 HydrophobicContact CG2-CG 4Å
444	G	86.7	Confident	90.1	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.01	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-11.3	174.9	0	0	0	0	0	114.7	G442 C494 G555	G442-G444 PolarHBondContact O-N 2.81Å; G442-G444 VanDerWaalsContact O-N 3.09Å; G444-C494 WeakPolarHBondContact CA-O 3.23Å; G444-C494 PolarHBondContact N-O 3.41Å; G444-G555 WeakPolarHBondContact CA-O 3.43Å; G444-G555 WeakPolarHBondContact O-CA 3.43Å; G444-G555 PolarHBondContact O-N 3.22Å
445	V	89.2	Confident	89.7	Confident	31 Å²	31	32.7 Å²	32.7	19%	0.188	20%	0.198	C	C	.	.			trans	-114.5	27.9	-176.1	-66.9	0	0	0	0	112.8	G442 A447 K448 D449 C494 D554	G442-V445 WeakPolarHBondContact O-CG2 3.39Å; G442-V445 PolarHBondContact O-N 2.56Å; V445-A447 PolarHBondContact O-N 3.27Å; V445-K448 WeakPolarHBondContact O-CB 3.15Å; V445-K448 PolarHBondContact O-N 2.8Å; V445-D449 PolarHBondContact O-N 2.83Å; V445-C494 HydrophobicContact CG1-CB 4.3Å; V445-D554 HydrophobicContact CG1-CB 4.01Å
446	I	89.6	Confident	89.2	Confident	1 Å²	1	35.3 Å²	35.3	1%	0.005	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-36.2	-177.7	-65.8	167.9	0	0	0	112.3	Y257 L261 N281 T443 K448 D449 V452 K453	Y257-I446 HydrophobicContact CE1-CD1 4.07Å; L261-I446 HydrophobicContact CD2-CD1 4.43Å; N281-I446 HydrophobicContact CB-CB 4.4Å; N281-I446 HydrophobicContact CB-CG2 4.22Å; T443-I446 WeakPolarHBondContact O-CD1 3.07Å; T443-I446 WeakPolarHBondContact O-CG1 3.5Å; I446-K448 PolarHBondContact O-N 3.45Å; I446-D449 CarbonylContact O-C 3.6Å; I446-D449 VanDerWaalsContact O-C 3.23Å; I446-D449 PolarHBondContact O-N 2.83Å; I446-V452 HydrophobicContact CG1-CB 4.31Å; I446-V452 HydrophobicContact CG1-CG1 4.11Å; I446-K453 HydrophobicContact CG2-CD 4.03Å; I446-K453 HydrophobicContact CG2-CG 3.53Å
447	A	86.9	Confident	88.9	Confident	18 Å²	18	38.9 Å²	38.9	15%	0.149	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-24.6	176.3	0	0	0	0	0	113.7	N281 V445	N281-A447 WeakPolarHBondContact O-CA 3.46Å; V445-A447 PolarHBondContact O-N 3.27Å
448	K	85.9	Confident	88.6	Confident	121 Å²	121	41.7 Å²	41.7	53%	0.526	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-37.9	178.1	-68.4	176.7	176.9	171.2	0	112.4	V445 I446 D554	V445-K448 WeakPolarHBondContact O-CB 3.15Å; V445-K448 PolarHBondContact O-N 2.8Å; I446-K448 PolarHBondContact O-N 3.45Å; K448-D554 WeakPolarHBondContact CE-OD1 3.44Å; K448-D554 WeakPolarHBondContact CE-OD2 3.5Å; K448-D554 IonicContact NZ-OD1 3.58Å; K448-D554 IonicContact NZ-OD2 3.24Å; K448-D554 PolarHBondContact NZ-OD2 3.09Å
449	D	87.8	Confident	88.5	Confident	82 Å²	82	45.8 Å²	45.8	44%	0.439	27%	0.268	S	S	.	.			trans	-126.2	89.1	177.9	-171.3	2.6	0	0	0	110.6	V445 I446 A451 V452	V445-D449 PolarHBondContact O-N 2.83Å; I446-D449 CarbonylContact O-C 3.6Å; I446-D449 VanDerWaalsContact O-C 3.23Å; I446-D449 PolarHBondContact O-N 2.83Å; D449-A451 PolarHBondContact O-N 2.81Å; D449-A451 VanDerWaalsContact O-N 3.14Å; D449-A451 VanDerWaalsContact OD1-CB 3.23Å; D449-A451 WeakPolarHBondContact OD1-CB 3.37Å; D449-A451 PolarHBondContact OD1-N 3.16Å; D449-A451 VanDerWaalsContact OD1-N 3.16Å; D449-V452 HydrophobicContact CB-CG2 4.15Å; D449-V452 WeakPolarHBondContact O-CB 3.37Å; D449-V452 WeakPolarHBondContact O-CG2 3.42Å; D449-V452 PolarHBondContact O-N 3.45Å
450	P	87.4	Confident	88.5	Confident	76 Å²	76	45.1 Å²	45.1	49%	0.494	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-17.6	178.1	-24.1	34.9	0	0	0	113.6	V452 K453	P450-V452 PolarHBondContact O-N 2.88Å; P450-K453 WeakPolarHBondContact O-CB 3.46Å; P450-K453 WeakPolarHBondContact O-CG 3.08Å; P450-K453 PolarHBondContact O-N 2.99Å; P450-K453 VanDerWaalsContact O-N 3.09Å
451	A	88.8	Confident	88.5	Confident	49 Å²	49	43.7 Å²	43.7	41%	0.405	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-21.8	178.1	0	0	0	0	0	112	D449 K453 T454 S455	D449-A451 PolarHBondContact O-N 2.81Å; D449-A451 VanDerWaalsContact O-N 3.14Å; D449-A451 VanDerWaalsContact OD1-CB 3.23Å; D449-A451 WeakPolarHBondContact OD1-CB 3.37Å; D449-A451 PolarHBondContact OD1-N 3.16Å; D449-A451 VanDerWaalsContact OD1-N 3.16Å; A451-K453 PolarHBondContact O-N 3.43Å; A451-T454 PolarHBondContact O-N 3.45Å; A451-S455 WeakPolarHBondContact O-CB 3.37Å; A451-S455 PolarHBondContact O-N 2.8Å; A451-S455 PolarHBondContact O-OG 3Å
452	V	88.2	Confident	88.7	Confident	4 Å²	4	47.3 Å²	47.3	2%	0.024	27%	0.27	C	S	.	.	H	α-helix	trans	-61.4	-27.7	175.4	178.8	0	0	0	0	111.9	T443 I446 D449 P450 T454 K456	T443-V452 HydrophobicContact CG2-CG1 4.4Å; I446-V452 HydrophobicContact CG1-CB 4.31Å; I446-V452 HydrophobicContact CG1-CG1 4.11Å; D449-V452 HydrophobicContact CB-CG2 4.15Å; D449-V452 WeakPolarHBondContact O-CB 3.37Å; D449-V452 WeakPolarHBondContact O-CG2 3.42Å; D449-V452 PolarHBondContact O-N 3.45Å; P450-V452 PolarHBondContact O-N 2.88Å; V452-T454 VanDerWaalsContact C-N 3.27Å; V452-T454 PolarHBondContact O-N 3.23Å; V452-K456 HydrophobicContact CG1-CG 3.86Å; V452-K456 WeakPolarHBondContact O-CG 3.08Å
453	K	88.5	Confident	89	Confident	18 Å²	18	55 Å²	55	8%	0.078	30%	0.297	C	S	.	.	H	α-helix	trans	-61.8	-33.7	-179.7	-62.3	-179.3	-174.4	178.1	0	113.3	Y257 N258 E282 I446 P450 A451	Y257-K453 HydrophobicContact CD1-CB 4.45Å; Y257-K453 HydrophobicContact CD1-CG 4.43Å; Y257-K453 HydrophobicContact CD2-CD 3.96Å; Y257-K453 HydrophobicContact CD2-CG 4.27Å; Y257-K453 HydrophobicContact CE1-CG 4.1Å; Y257-K453 HydrophobicContact CE2-CD 3.6Å; Y257-K453 HydrophobicContact CE2-CG 3.96Å; Y257-K453 HydrophobicContact CG-CB 4.42Å; N258-K453 WeakPolarHBondContact CB-O 3.39Å; N258-K453 PolarHBondContact N-O 2.87Å; E282-K453 IonicContact OE1-NZ 3.92Å; E282-K453 PolarHBondContact OE1-NZ 3.35Å; E282-K453 IonicContact OE2-NZ 2.68Å; E282-K453 PolarHBondContact OE2-NZ 2.97Å; I446-K453 HydrophobicContact CG2-CD 4.03Å; I446-K453 HydrophobicContact CG2-CG 3.53Å; P450-K453 WeakPolarHBondContact O-CB 3.46Å; P450-K453 WeakPolarHBondContact O-CG 3.08Å; P450-K453 PolarHBondContact O-N 2.99Å; P450-K453 VanDerWaalsContact O-N 3.09Å; A451-K453 PolarHBondContact O-N 3.43Å
454	T	87.5	Confident	89.2	Confident	92 Å²	92	56.1 Å²	56.1	56%	0.564	30%	0.304	S	S	*	.	H	α-helix	trans	-114.5	-25.4	-172.9	56.5	0	0	0	0	113.5	A451 V452	A451-T454 PolarHBondContact O-N 3.45Å; V452-T454 VanDerWaalsContact C-N 3.27Å; V452-T454 PolarHBondContact O-N 3.23Å
455	S	86.3	Confident	89.6	Confident	59 Å²	59	56.2 Å²	56.2	41%	0.413	31%	0.305	S	S	.	.	H	α-helix	trans	-84.7	-9.2	-172.5	62.6	0	0	0	0	115.4	A451	A451-S455 WeakPolarHBondContact O-CB 3.37Å; A451-S455 PolarHBondContact O-N 2.8Å; A451-S455 PolarHBondContact O-OG 3Å
456	K	87.1	Confident	89.9	Confident	55 Å²	55	60.1 Å²	60.1	24%	0.239	32%	0.321	C	S	.	.			trans	-105.9	128.5	-170.8	-57.3	-60.8	170.9	172.6	0	111.7	N258 S441 V452	N258-K456 PolarHBondContact ND2-O 3.24Å; S441-K456 WeakPolarHBondContact O-CE 3.36Å; S441-K456 PolarHBondContact O-NZ 3.47Å; V452-K456 HydrophobicContact CG1-CG 3.86Å; V452-K456 WeakPolarHBondContact O-CG 3.08Å
457	D	88.8	Confident	90.2	Very high	75 Å²	75	62.1 Å²	62.1	40%	0.401	33%	0.331	S	S	.	.			trans	-117.5	166	174.6	-59.5	-39.7	0	0	0	111.4	N258 P459 D460 I461	N258-D457 PolarHBondContact ND2-OD1 3.11Å; D457-P459 HydrophobicContact CB-CG 4.12Å; D457-D460 WeakPolarHBondContact O-CB 3.19Å; D457-D460 PolarHBondContact O-N 3Å; D457-D460 VanDerWaalsContact O-N 3.15Å; D457-I461 PolarHBondContact O-N 3.22Å
458	E	89.1	Confident	90.6	Very high	91 Å²	91	61.2 Å²	61.2	43%	0.425	32%	0.324	S	S	.	.	H	α-helix	trans	-51.2	-49.2	175.8	-164.5	165.7	-150.8	0	0	115.1	F260 K264 D460 I461 L462	F260-E458 HydrophobicContact CD2-CB 4.07Å; F260-E458 HydrophobicContact CE1-CB 4.24Å; F260-E458 VanDerWaalsContact CE1-N 3.34Å; F260-E458 HydrophobicContact CE2-CB 3.38Å; F260-E458 HydrophobicContact CE2-CG 3.7Å; F260-E458 HydrophobicContact CZ-CB 3.49Å; F260-E458 VanDerWaalsContact CZ-CB 3.49Å; F260-E458 HydrophobicContact CZ-CG 3.84Å; K264-E458 IonicContact NZ-OE1 3.13Å; E458-D460 PolarHBondContact O-N 3.01Å; E458-I461 PolarHBondContact O-N 2.88Å; E458-L462 HydrophobicContact CG-CD1 4.13Å; E458-L462 HydrophobicContact CG-CG 4.48Å; E458-L462 WeakPolarHBondContact O-CG 3.47Å; E458-L462 PolarHBondContact O-N 2.64Å
459	P	91.3	Very high	91.1	Very high	87 Å²	87	57.7 Å²	57.7	57%	0.565	31%	0.309	S	S	*	.	H	α-helix	trans	-61.3	-29.5	-179.9	23.9	-36.1	0	0	0	112.9	D457 R463	D457-P459 HydrophobicContact CB-CG 4.12Å; P459-R463 WeakPolarHBondContact O-CB 3.37Å; P459-R463 PolarHBondContact O-N 3.01Å
460	D	90.9	Very high	91.4	Very high	43 Å²	43	56.9 Å²	56.9	23%	0.23	30%	0.302	C	S	.	.	H	α-helix	trans	-71.8	-39.6	178.3	-82.9	-36.8	0	0	0	112.6	D457 E458 R463 S464	D457-D460 WeakPolarHBondContact O-CB 3.19Å; D457-D460 PolarHBondContact O-N 3Å; D457-D460 VanDerWaalsContact O-N 3.15Å; E458-D460 PolarHBondContact O-N 3.01Å; D460-R463 PolarHBondContact O-N 3.08Å; D460-R463 IonicContact OD1-CZ 2.72Å; D460-R463 IonicContact OD1-NE 2.58Å; D460-R463 IonicContact OD1-NH2 2.77Å; D460-R463 PolarHBondContact OD1-NH2 2.86Å; D460-S464 WeakPolarHBondContact O-CB 3.4Å; D460-S464 PolarHBondContact O-N 2.91Å; D460-S464 PolarHBondContact O-OG 3.19Å
461	I	92.1	Very high	91.8	Very high	3 Å²	3	53.6 Å²	53.6	2%	0.015	28%	0.28	C	S	.	.	H	α-helix	trans	-63.5	-46.9	174.1	-61.9	-179.5	0	0	0	109.4	F260 D457 E458 R463 S464 A465 M497 E499 E500	F260-I461 HydrophobicContact CE1-CD1 3.62Å; F260-I461 HydrophobicContact CZ-CD1 3.93Å; D457-I461 PolarHBondContact O-N 3.22Å; E458-I461 PolarHBondContact O-N 2.88Å; I461-R463 PolarHBondContact O-N 3.22Å; I461-S464 PolarHBondContact O-N 3.48Å; I461-A465 WeakPolarHBondContact O-CB 3.14Å; I461-A465 PolarHBondContact O-N 3.02Å; I461-M497 HydrophobicContact CD1-CG 4.22Å; I461-E499 HydrophobicContact CG2-CB 4.08Å; I461-E500 HydrophobicContact CG2-CG 4.04Å
462	L	93.5	Very high	92.1	Very high	80 Å²	80	51.2 Å²	51.2	42%	0.419	26%	0.261	S	S	.	.	H	α-helix	trans	-64.8	-39.5	179.3	-68.3	175.9	0	0	0	112.7	E458 S464 A465 H466	E458-L462 HydrophobicContact CG-CD1 4.13Å; E458-L462 HydrophobicContact CG-CG 4.48Å; E458-L462 WeakPolarHBondContact O-CG 3.47Å; E458-L462 PolarHBondContact O-N 2.64Å; L462-S464 VanDerWaalsContact C-N 3.35Å; L462-A465 PolarHBondContact O-N 3.17Å; L462-H466 WeakPolarHBondContact O-CB 3.2Å; L462-H466 PolarHBondContact O-N 3.08Å
463	R	94.1	Very high	92.4	Very high	170 Å²	170	52.2 Å²	52.2	64%	0.642	27%	0.266	S	S	*	.	H	α-helix	trans	-62.9	-42.6	174.5	-178.5	174.5	62.4	142.3	-4.7	111.4	P459 D460 I461 H466 L467	P459-R463 WeakPolarHBondContact O-CB 3.37Å; P459-R463 PolarHBondContact O-N 3.01Å; D460-R463 PolarHBondContact O-N 3.08Å; D460-R463 IonicContact OD1-CZ 2.72Å; D460-R463 IonicContact OD1-NE 2.58Å; D460-R463 IonicContact OD1-NH2 2.77Å; D460-R463 PolarHBondContact OD1-NH2 2.86Å; I461-R463 PolarHBondContact O-N 3.22Å; R463-H466 PolarHBondContact O-N 2.77Å; R463-L467 PolarHBondContact O-N 3.42Å
464	S	93.8	Very high	92.7	Very high	23 Å²	23	52 Å²	52	16%	0.161	27%	0.267	C	S	.	.	H	α-helix	trans	-64.1	-47.2	176.2	-56.6	0	0	0	0	110.6	D460 I461 L462 H466 L467 Q468	D460-S464 WeakPolarHBondContact O-CB 3.4Å; D460-S464 PolarHBondContact O-N 2.91Å; D460-S464 PolarHBondContact O-OG 3.19Å; I461-S464 PolarHBondContact O-N 3.48Å; L462-S464 VanDerWaalsContact C-N 3.35Å; S464-H466 VanDerWaalsContact C-N 3.31Å; S464-H466 PolarHBondContact O-N 2.95Å; S464-L467 PolarHBondContact O-N 3.18Å; S464-Q468 WeakPolarHBondContact O-CB 3.44Å; S464-Q468 WeakPolarHBondContact O-CG 3.28Å; S464-Q468 PolarHBondContact O-N 2.8Å
465	A	95.1	Very high	93	Very high	3 Å²	3	47.7 Å²	47.7	3%	0.025	24%	0.24	C	C	.	.	H	α-helix	trans	-58.6	-40	175.7	0	0	0	0	0	112.6	I461 L462 Q468 K469 E499 E500 V504	I461-A465 WeakPolarHBondContact O-CB 3.14Å; I461-A465 PolarHBondContact O-N 3.02Å; L462-A465 PolarHBondContact O-N 3.17Å; A465-Q468 PolarHBondContact O-N 3.23Å; A465-K469 VanDerWaalsContact O-CG 3.27Å; A465-K469 WeakPolarHBondContact O-CG 3.5Å; A465-K469 PolarHBondContact O-N 2.77Å; A465-E499 VanDerWaalsContact CB-O 3.28Å; A465-E499 WeakPolarHBondContact CB-O 3.34Å; A465-E500 HydrophobicContact CB-CG 4.35Å; A465-V504 HydrophobicContact CB-CG2 4.35Å
466	H	95.3	Very high	93.3	Very high	113 Å²	113	45 Å²	45	52%	0.523	22%	0.221	S	C	.	.	H	α-helix	trans	-64.4	-45.9	176.1	-169.7	-93.3	0	0	0	112	L462 R463 S464 Q468 K469 E470	L462-H466 WeakPolarHBondContact O-CB 3.2Å; L462-H466 PolarHBondContact O-N 3.08Å; R463-H466 PolarHBondContact O-N 2.77Å; S464-H466 VanDerWaalsContact C-N 3.31Å; S464-H466 PolarHBondContact O-N 2.95Å; H466-Q468 VanDerWaalsContact C-N 3.33Å; H466-Q468 PolarHBondContact O-N 3.04Å; H466-K469 PolarHBondContact O-N 2.84Å; H466-E470 IonicContact CE1-OE1 3.74Å; H466-E470 PolarHBondContact CE1-OE1 2.85Å; H466-E470 IonicContact ND1-OE1 3.23Å; H466-E470 PolarHBondContact O-N 3.23Å
467	L	94.9	Very high	93.5	Very high	42 Å²	42	44.4 Å²	44.4	22%	0.22	22%	0.221	C	C	.	.	H	α-helix	trans	-59.5	-44	174.2	165.1	63	0	0	0	111.5	R422 P439 R463 S464 K469 E470 L471	R422-L467 VanDerWaalsContact CZ-CD1 3.47Å; P439-L467 HydrophobicContact CB-CD2 4.47Å; P439-L467 HydrophobicContact CG-CD2 3.65Å; P439-L467 HydrophobicContact CG-CG 4.2Å; R463-L467 PolarHBondContact O-N 3.42Å; S464-L467 PolarHBondContact O-N 3.18Å; L467-K469 VanDerWaalsContact C-N 3.35Å; L467-K469 PolarHBondContact O-N 3.11Å; L467-E470 PolarHBondContact O-N 3.33Å; L467-L471 HydrophobicContact CD1-CD1 3.79Å; L467-L471 HydrophobicContact CD1-CG 3.92Å; L467-L471 HydrophobicContact CG-CD1 3.96Å; L467-L471 HydrophobicContact CG-CG 4.48Å; L467-L471 WeakPolarHBondContact O-CG 3.48Å; L467-L471 PolarHBondContact O-N 2.97Å
468	Q	96.1	Very high	93.6	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-63.6	-38.8	178.9	-67.6	162.2	5.3	0	0	111.9	A438 P439 S464 A465 H466 L471 L472 Y491 E500 V504	A438-Q468 HydrophobicContact CB-CB 4.37Å; A438-Q468 HydrophobicContact CB-CG 3.77Å; P439-Q468 PolarHBondContact O-NE2 3.24Å; S464-Q468 WeakPolarHBondContact O-CB 3.44Å; S464-Q468 WeakPolarHBondContact O-CG 3.28Å; S464-Q468 PolarHBondContact O-N 2.8Å; A465-Q468 PolarHBondContact O-N 3.23Å; H466-Q468 VanDerWaalsContact C-N 3.33Å; H466-Q468 PolarHBondContact O-N 3.04Å; Q468-L471 PolarHBondContact O-N 3.14Å; Q468-L472 VanDerWaalsContact O-CB 3.25Å; Q468-L472 WeakPolarHBondContact O-CB 3.45Å; Q468-L472 PolarHBondContact O-N 2.63Å; Q468-Y491 PolarHBondContact OE1-OH 3.17Å; Q468-E500 PolarHBondContact NE2-OE1 3.34Å; Q468-E500 PolarHBondContact OE1-O 3.14Å; Q468-V504 HydrophobicContact CB-CG1 4.13Å; Q468-V504 HydrophobicContact CB-CG2 4.29Å
469	K	95.9	Very high	93.7	Very high	47 Å²	47	36.7 Å²	36.7	20%	0.204	18%	0.183	C	C	.	.	H	α-helix	trans	-59.2	-46.1	173.9	-75.1	169.5	-173.9	174.6	0	111.8	A465 H466 L467 L472 L473 V504 Y507	A465-K469 VanDerWaalsContact O-CG 3.27Å; A465-K469 WeakPolarHBondContact O-CG 3.5Å; A465-K469 PolarHBondContact O-N 2.77Å; H466-K469 PolarHBondContact O-N 2.84Å; L467-K469 VanDerWaalsContact C-N 3.35Å; L467-K469 PolarHBondContact O-N 3.11Å; K469-L472 PolarHBondContact O-N 3.43Å; K469-L473 WeakPolarHBondContact O-CG 3.2Å; K469-L473 PolarHBondContact O-N 2.88Å; K469-L473 VanDerWaalsContact O-N 3.12Å; K469-V504 HydrophobicContact CG-CB 4.25Å; K469-V504 HydrophobicContact CG-CG1 3.93Å; K469-V504 HydrophobicContact CG-CG2 4.04Å; K469-Y507 HydrophobicContact CB-CD1 3.78Å; K469-Y507 HydrophobicContact CB-CE1 3.88Å; K469-Y507 HydrophobicContact CD-CD1 3.96Å; K469-Y507 HydrophobicContact CD-CE1 4.41Å; K469-Y507 HydrophobicContact CD-CG 4.06Å; K469-Y507 HydrophobicContact CG-CD1 3.68Å; K469-Y507 HydrophobicContact CG-CE1 4.24Å; K469-Y507 HydrophobicContact CG-CG 4.17Å
470	E	95.2	Very high	93.5	Very high	64 Å²	64	34.8 Å²	34.8	30%	0.299	17%	0.168	S	C	.	.	H	α-helix	trans	-64.8	-45.8	177.4	-68.9	-177.9	-177.6	0	0	111.8	R422 H466 L467 L472 L473 S474	R422-E470 VanDerWaalsContact CD-OE2 3.22Å; R422-E470 WeakPolarHBondContact CD-OE2 3.27Å; R422-E470 HydrophobicContact CG-CB 4.32Å; R422-E470 IonicContact CZ-OE2 3.34Å; R422-E470 IonicContact NE-OE2 3.27Å; R422-E470 PolarHBondContact NE-OE2 2.94Å; R422-E470 IonicContact NH1-OE2 2.64Å; R422-E470 PolarHBondContact NH1-OE2 2.82Å; H466-E470 IonicContact CE1-OE1 3.74Å; H466-E470 PolarHBondContact CE1-OE1 2.85Å; H466-E470 IonicContact ND1-OE1 3.23Å; H466-E470 PolarHBondContact O-N 3.23Å; L467-E470 PolarHBondContact O-N 3.33Å; E470-L472 VanDerWaalsContact C-N 3.32Å; E470-L472 PolarHBondContact O-N 2.71Å; E470-L473 PolarHBondContact O-N 2.78Å; E470-S474 PolarHBondContact O-N 2.77Å; E470-S474 PolarHBondContact O-OG 3.14Å
471	L	95.6	Very high	93	Very high	7 Å²	7	33.9 Å²	33.9	4%	0.037	17%	0.166	C	C	.	.	H	α-helix	trans	-61.3	-40.7	177.3	-72.1	173	0	0	0	112.1	M368 R422 L436 P439 L467 Q468 S474 A475	M368-L471 HydrophobicContact CE-CD2 4.42Å; R422-L471 HydrophobicContact CG-CD2 3.92Å; R422-L471 HydrophobicContact CG-CG 4.43Å; L436-L471 HydrophobicContact CD1-CB 4.16Å; L436-L471 HydrophobicContact CD2-CB 4.03Å; P439-L471 HydrophobicContact CG-CD1 3.86Å; L467-L471 HydrophobicContact CD1-CD1 3.79Å; L467-L471 HydrophobicContact CD1-CG 3.92Å; L467-L471 HydrophobicContact CG-CD1 3.96Å; L467-L471 HydrophobicContact CG-CG 4.48Å; L467-L471 WeakPolarHBondContact O-CG 3.48Å; L467-L471 PolarHBondContact O-N 2.97Å; Q468-L471 PolarHBondContact O-N 3.14Å; L471-S474 PolarHBondContact O-N 3.22Å; L471-A475 WeakPolarHBondContact O-CB 3.39Å; L471-A475 PolarHBondContact O-N 3.16Å
472	L	95.8	Very high	92.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-66.5	-39.6	179.7	-176.4	59.2	0	0	0	111.6	L436 Q468 K469 E470 A475 I476 L489 Y491 V504 A508 F561	L436-L472 HydrophobicContact CD2-CB 3.99Å; L436-L472 HydrophobicContact CD2-CD1 4.05Å; Q468-L472 VanDerWaalsContact O-CB 3.25Å; Q468-L472 WeakPolarHBondContact O-CB 3.45Å; Q468-L472 PolarHBondContact O-N 2.63Å; K469-L472 PolarHBondContact O-N 3.43Å; E470-L472 VanDerWaalsContact C-N 3.32Å; E470-L472 PolarHBondContact O-N 2.71Å; L472-A475 WeakPolarHBondContact O-CB 3.4Å; L472-A475 PolarHBondContact O-N 3.17Å; L472-I476 HydrophobicContact CG-CD1 4.29Å; L472-I476 VanDerWaalsContact O-CG1 3.27Å; L472-I476 WeakPolarHBondContact O-CG1 3.32Å; L472-I476 PolarHBondContact O-N 2.89Å; L472-L489 HydrophobicContact CD1-CD2 3.75Å; L472-Y491 HydrophobicContact CD1-CD2 3.97Å; L472-Y491 HydrophobicContact CD1-CG 4.23Å; L472-Y491 HydrophobicContact CD2-CD2 4.38Å; L472-Y491 HydrophobicContact CD2-CG 4.49Å; L472-V504 HydrophobicContact CB-CG1 4.43Å; L472-V504 HydrophobicContact CD2-CG1 3.81Å; L472-A508 HydrophobicContact CD2-CB 3.48Å; L472-A508 VanDerWaalsContact CD2-CB 3.48Å; L472-A508 HydrophobicContact CG-CB 3.91Å; L472-F561 HydrophobicContact CD1-CE2 4.22Å; L472-F561 HydrophobicContact CD2-CE2 4.46Å; L472-F561 HydrophobicContact CD2-CZ 4.24Å
473	L	94.6	Very high	91.3	Very high	24 Å²	24	34.9 Å²	34.9	13%	0.126	19%	0.185	C	C	.	.	H	α-helix	trans	-61.4	-46.2	172.5	-69.9	178.4	0	0	0	111.3	K469 E470 A475 I476 D477 Y507 K511 R512	K469-L473 WeakPolarHBondContact O-CG 3.2Å; K469-L473 PolarHBondContact O-N 2.88Å; K469-L473 VanDerWaalsContact O-N 3.12Å; E470-L473 PolarHBondContact O-N 2.78Å; L473-A475 VanDerWaalsContact C-N 3.3Å; L473-A475 PolarHBondContact O-N 2.89Å; L473-I476 PolarHBondContact O-N 3.4Å; L473-D477 WeakPolarHBondContact O-CB 3.48Å; L473-D477 PolarHBondContact O-N 3.12Å; L473-Y507 HydrophobicContact CD1-CE1 3.78Å; L473-Y507 HydrophobicContact CG-CE1 4.24Å; L473-K511 HydrophobicContact CD2-CB 3.84Å; L473-R512 HydrophobicContact CD2-CG 3.76Å
474	S	93.6	Very high	90	Very high	15 Å²	15	33 Å²	33	11%	0.105	20%	0.198	C	C	.	.	H	α-helix	trans	-63.5	-35.6	176	-61.4	0	0	0	0	112.3	G421 R422 P425 E470 L471 D477 S478	G421-S474 WeakPolarHBondContact O-CB 3.18Å; R422-S474 WeakPolarHBondContact CA-OG 3.48Å; R422-S474 PolarHBondContact O-OG 2.89Å; P425-S474 VanDerWaalsContact CG-O 3.24Å; P425-S474 WeakPolarHBondContact CG-O 3.46Å; E470-S474 PolarHBondContact O-N 2.77Å; E470-S474 PolarHBondContact O-OG 3.14Å; L471-S474 PolarHBondContact O-N 3.22Å; S474-D477 PolarHBondContact O-N 3.41Å; S474-S478 WeakPolarHBondContact O-CB 3.24Å; S474-S478 PolarHBondContact O-N 3.01Å; S474-S478 PolarHBondContact O-OG 3.32Å
475	A	93.9	Very high	88.8	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-62	-48.1	175	0	0	0	0	0	111.2	M368 V434 L436 L471 L472 L473 D477 S478 V479 L489	M368-A475 HydrophobicContact CE-CB 4.39Å; M368-A475 WeakPolarHBondContact SD-CA 3.4Å; M368-A475 HydrophobicContact SD-CB 3.3Å; M368-A475 WeakPolarHBondContact SD-CB 3.45Å; V434-A475 HydrophobicContact CG1-CB 4.06Å; L436-A475 HydrophobicContact CB-CB 4.39Å; L436-A475 HydrophobicContact CD2-CB 4.07Å; L471-A475 WeakPolarHBondContact O-CB 3.39Å; L471-A475 PolarHBondContact O-N 3.16Å; L472-A475 WeakPolarHBondContact O-CB 3.4Å; L472-A475 PolarHBondContact O-N 3.17Å; L473-A475 VanDerWaalsContact C-N 3.3Å; L473-A475 PolarHBondContact O-N 2.89Å; A475-D477 VanDerWaalsContact C-N 3.31Å; A475-D477 PolarHBondContact O-N 3.19Å; A475-S478 WeakPolarHBondContact O-CB 3.41Å; A475-S478 PolarHBondContact O-N 3.15Å; A475-S478 VanDerWaalsContact O-N 3.16Å; A475-V479 WeakPolarHBondContact O-CG2 3.23Å; A475-V479 PolarHBondContact O-N 3.39Å; A475-L489 HydrophobicContact CB-CD1 3.63Å; A475-L489 HydrophobicContact CB-CD2 4.07Å
476	I	93.3	Very high	87.6	Confident	3 Å²	3	35 Å²	35	2%	0.015	21%	0.213	C	C	.	.	H	α-helix	trans	-61.6	-41.2	177.4	-65.7	164.8	0	0	0	111	L472 L473 S478 V479 L489 A508 R512 V514 K563	L472-I476 HydrophobicContact CG-CD1 4.29Å; L472-I476 VanDerWaalsContact O-CG1 3.27Å; L472-I476 WeakPolarHBondContact O-CG1 3.32Å; L472-I476 PolarHBondContact O-N 2.89Å; L473-I476 PolarHBondContact O-N 3.4Å; I476-S478 PolarHBondContact O-N 3.46Å; I476-V479 PolarHBondContact O-N 2.96Å; I476-L489 HydrophobicContact CB-CD2 4.38Å; I476-L489 HydrophobicContact CD1-CD2 4.34Å; I476-L489 HydrophobicContact CG1-CD2 3.34Å; I476-A508 HydrophobicContact CD1-CB 3.9Å; I476-R512 HydrophobicContact CD1-CB 4.28Å; I476-R512 HydrophobicContact CD1-CG 4.28Å; I476-R512 HydrophobicContact CG2-CB 3.94Å; I476-R512 HydrophobicContact CG2-CG 3.99Å; I476-V514 HydrophobicContact CD1-CG1 4.18Å; I476-V514 HydrophobicContact CD1-CG2 4.12Å; I476-V514 HydrophobicContact CG1-CG1 4.18Å; I476-V514 HydrophobicContact CG2-CG1 3.55Å; I476-K563 HydrophobicContact CG2-CD 4.37Å; I476-K563 WeakPolarHBondContact O-CD 3.33Å; I476-K563 WeakPolarHBondContact O-CE 3.02Å; I476-K563 PolarHBondContact O-NZ 3.23Å
477	D	91.1	Very high	87.3	Confident	43 Å²	43	29.7 Å²	29.7	23%	0.23	19%	0.189	C	C	.	.	H	α-helix	trans	-69.1	-25.4	-179.9	-67.1	-16.3	0	0	0	111.7	P425 L473 S474 A475 R512	P425-D477 HydrophobicContact CB-CB 4.34Å; P425-D477 HydrophobicContact CG-CB 4.14Å; L473-D477 WeakPolarHBondContact O-CB 3.48Å; L473-D477 PolarHBondContact O-N 3.12Å; S474-D477 PolarHBondContact O-N 3.41Å; A475-D477 VanDerWaalsContact C-N 3.31Å; A475-D477 PolarHBondContact O-N 3.19Å; D477-R512 IonicContact OD1-CZ 2.72Å; D477-R512 IonicContact OD1-NE 3.94Å; D477-R512 PolarHBondContact OD1-NE 3.05Å; D477-R512 IonicContact OD1-NH2 3.62Å; D477-R512 IonicContact OD2-CZ 2.76Å; D477-R512 IonicContact OD2-NE 2.66Å; D477-R512 PolarHBondContact OD2-NE 2.96Å; D477-R512 IonicContact OD2-NH2 3.63Å; D477-R512 PolarHBondContact OD2-NH2 3.1Å
478	S	90.9	Very high	87.2	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-76.8	-27	176.3	-56.6	0	0	0	0	113.8	P425 G430 F431 S474 A475 I476	P425-S478 WeakPolarHBondContact CG-OG 3.49Å; G430-S478 PolarHBondContact N-O 3.19Å; F431-S478 PolarHBondContact N-O 3.33Å; F431-S478 VanDerWaalsContact N-O 3.08Å; S474-S478 WeakPolarHBondContact O-CB 3.24Å; S474-S478 PolarHBondContact O-N 3.01Å; S474-S478 PolarHBondContact O-OG 3.32Å; A475-S478 WeakPolarHBondContact O-CB 3.41Å; A475-S478 PolarHBondContact O-N 3.15Å; A475-S478 VanDerWaalsContact O-N 3.16Å; I476-S478 PolarHBondContact O-N 3.46Å
479	V	91.3	Very high	87.1	Confident	4 Å²	4	30.3 Å²	30.3	2%	0.024	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-72.9	137.3	179.7	176.9	0	0	0	0	111	F431 V434 A475 I476 L489 K563	F431-V479 WeakPolarHBondContact O-CA 3.3Å; V434-V479 HydrophobicContact CB-CG2 3.83Å; V434-V479 HydrophobicContact CG2-CB 4.46Å; V434-V479 HydrophobicContact CG2-CG2 3.35Å; A475-V479 WeakPolarHBondContact O-CG2 3.23Å; A475-V479 PolarHBondContact O-N 3.39Å; I476-V479 PolarHBondContact O-N 2.96Å; V479-L489 HydrophobicContact CG2-CB 4.13Å; V479-K563 HydrophobicContact CB-CD 4.08Å; V479-K563 HydrophobicContact CG1-CB 4.25Å; V479-K563 HydrophobicContact CG1-CD 4.18Å; V479-K563 WeakPolarHBondContact O-CD 3.33Å; V479-K563 PolarHBondContact O-NZ 3.24Å
480	N	86.7	Confident	87.2	Confident	47 Å²	47	28 Å²	28	25%	0.251	18%	0.179	S	C	.	.			trans	-88.3	119.4	169.4	-165.8	0.5	0	0	0	111.6	F431 A482 N566	F431-N480 PolarHBondContact O-N 3.47Å; N480-A482 VanDerWaalsContact C-N 3.3Å; N480-A482 PolarHBondContact OD1-N 3.24Å; N480-N566 PolarHBondContact OD1-ND2 3.39Å
481	A	80.4	Confident	87.2	Confident	24 Å²	24	25 Å²	25	20%	0.198	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-22.1	174.1	0	0	0	0	0	113.6	S483 K563 N566	A481-S483 VanDerWaalsContact C-N 3.34Å; A481-K563 HydrophobicContact CB-CB 4.33Å; A481-K563 HydrophobicContact CB-CD 4.12Å; A481-K563 HydrophobicContact CB-CG 3.96Å; A481-N566 VanDerWaalsContact CB-OD1 3.29Å; A481-N566 WeakPolarHBondContact CB-OD1 3.45Å; A481-N566 PolarHBondContact N-OD1 3.3Å
482	A	75.7	Confident	87.2	Confident	81 Å²	81	24.7 Å²	24.7	67%	0.669	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.3	6	-175.7	0	0	0	0	0	113.5	N480	N480-A482 VanDerWaalsContact C-N 3.3Å; N480-A482 PolarHBondContact OD1-N 3.24Å
483	S	74.4	Confident	87.2	Confident	22 Å²	22	24.7 Å²	24.7	15%	0.154	16%	0.163	C	C	.	.			trans	-71	134.7	175.9	179.4	0	0	0	0	110.3	D432 A481 S485 G486	D432-S483 WeakPolarHBondContact OD1-CB 3.41Å; D432-S483 PolarHBondContact OD1-OG 3.43Å; A481-S483 VanDerWaalsContact C-N 3.34Å; S483-S485 VanDerWaalsContact C-N 3.35Å; S483-G486 PolarHBondContact OG-N 2.88Å; S483-G486 VanDerWaalsContact OG-N 3.13Å
484	S	66.3	Low	87.2	Confident	132 Å²	132	24.7 Å²	24.7	92%	0.923	17%	0.166	S	C	*	.	S	Bend	trans	-70.4	-30.5	179.6	50.5	0	0	0	0	113
485	S	69.1	Low	87.1	Confident	56 Å²	56	24 Å²	24	39%	0.392	16%	0.161	S	C	.	.	S	Bend	trans	-101.9	-17.7	178	52.4	0	0	0	0	113.2	R433 S483	R433-S485 PolarHBondContact NH2-O 2.86Å; R433-S485 VanDerWaalsContact NH2-O 3.14Å; S483-S485 VanDerWaalsContact C-N 3.35Å
486	G	70.1	Confident	87.1	Confident	10 Å²	10	24.2 Å²	24.2	10%	0.103	16%	0.162	C	C	.	.			trans	-119.5	-168.9	-167.6	0	0	0	0	0	115.8	D432 S483	D432-G486 CarbonylContact O-C 3.45Å; D432-G486 WeakPolarHBondContact O-CA 3.45Å; S483-G486 PolarHBondContact OG-N 2.88Å; S483-G486 VanDerWaalsContact OG-N 3.13Å
487	G	87.5	Confident	87.1	Confident	2 Å²	2	24.2 Å²	24.2	2%	0.021	16%	0.162	C	C	.	.			trans	117.7	9.9	-174.9	0	0	0	0	0	114	D432 K562 K563	D432-G487 PolarHBondContact O-N 3.08Å; G487-K562 WeakPolarHBondContact O-CA 3.37Å; G487-K563 PolarHBondContact O-N 3.29Å
488	Y	93.8	Very high	87.2	Confident	51 Å²	51	22.3 Å²	22.3	20%	0.2	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	138.7	-176.4	-64.7	-76.7	0	0	0	112.5	D432 R433 V434 F561 K562	D432-Y488 PolarHBondContact O-N 3.02Å; R433-Y488 VanDerWaalsContact CA-O 3.28Å; R433-Y488 WeakPolarHBondContact CA-O 3.37Å; V434-Y488 PolarHBondContact N-O 3.45Å; V434-Y488 VanDerWaalsContact N-O 3.09Å; Y488-F561 WeakPolarHBondContact CA-O 3.43Å; Y488-K562 HydrophobicContact CD1-CB 4.1Å; Y488-K562 HydrophobicContact CD1-CG 4.35Å; Y488-K562 HydrophobicContact CE1-CB 3.93Å; Y488-K562 HydrophobicContact CE1-CD 3.83Å; Y488-K562 HydrophobicContact CE1-CG 3.95Å
489	L	95.1	Very high	87.3	Confident	4 Å²	4	23 Å²	23	2%	0.021	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	131.8	173.5	164.3	71	0	0	0	108.4	V434 L436 L472 A475 I476 V479 K560 F561	V434-L489 HydrophobicContact CB-CD1 3.69Å; V434-L489 HydrophobicContact CG1-CD1 3.65Å; V434-L489 WeakPolarHBondContact O-CA 3.37Å; V434-L489 WeakPolarHBondContact O-CD1 3.47Å; L436-L489 HydrophobicContact CB-CD1 4.4Å; L472-L489 HydrophobicContact CD1-CD2 3.75Å; A475-L489 HydrophobicContact CB-CD1 3.63Å; A475-L489 HydrophobicContact CB-CD2 4.07Å; I476-L489 HydrophobicContact CB-CD2 4.38Å; I476-L489 HydrophobicContact CD1-CD2 4.34Å; I476-L489 HydrophobicContact CG1-CD2 3.34Å; V479-L489 HydrophobicContact CG2-CB 4.13Å; L489-K560 CarbonylContact O-C 3.57Å; L489-K560 WeakPolarHBondContact O-CA 3.38Å; L489-F561 HydrophobicContact CB-CB 4.21Å; L489-F561 HydrophobicContact CD2-CD2 4.19Å; L489-F561 HydrophobicContact CG-CD2 4.27Å; L489-F561 PolarHBondContact N-O 3.38Å; L489-F561 PolarHBondContact O-N 3.3Å
490	V	96.5	Very high	87.4	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	121.5	168.7	173.4	0	0	0	0	109.2	P353 A356 L357 V434 L435 L436 V558 A559 K560	P353-V490 HydrophobicContact CB-CG1 4.1Å; A356-V490 HydrophobicContact CB-CG2 4.29Å; L357-V490 HydrophobicContact CB-CB 4.37Å; L357-V490 HydrophobicContact CB-CG2 3.84Å; L357-V490 HydrophobicContact CD1-CB 4.01Å; L357-V490 HydrophobicContact CD1-CG2 3.66Å; L357-V490 HydrophobicContact CG-CG2 4.4Å; V434-V490 PolarHBondContact O-N 3.15Å; L435-V490 HydrophobicContact CD1-CB 3.95Å; L435-V490 HydrophobicContact CD1-CG1 3.94Å; L436-V490 PolarHBondContact N-O 3.25Å; V490-V558 HydrophobicContact CG1-CG1 3.97Å; V490-A559 WeakPolarHBondContact CA-O 3.35Å; V490-K560 HydrophobicContact CG2-CB 4.21Å; V490-K560 HydrophobicContact CG2-CG 4.08Å
491	Y	96.7	Very high	87.8	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	132.6	168	174.8	-104.4	0	0	0	108.9	L436 A438 Q468 L472 T493 E500 V504 V505 F557 A559	L436-Y491 HydrophobicContact CD2-CD2 3.84Å; L436-Y491 HydrophobicContact CD2-CE2 4.25Å; L436-Y491 HydrophobicContact CG-CD2 4.09Å; A438-Y491 HydrophobicContact CB-CD2 4.27Å; A438-Y491 HydrophobicContact CB-CE2 3.5Å; Q468-Y491 PolarHBondContact OE1-OH 3.17Å; L472-Y491 HydrophobicContact CD1-CD2 3.97Å; L472-Y491 HydrophobicContact CD1-CG 4.23Å; L472-Y491 HydrophobicContact CD2-CD2 4.38Å; L472-Y491 HydrophobicContact CD2-CG 4.49Å; Y491-T493 HydrophobicContact CE1-CG2 3.86Å; Y491-T493 HydrophobicContact CE2-CG2 4.15Å; Y491-T493 VanDerWaalsContact CZ-CG2 3.46Å; Y491-T493 WeakPolarHBondContact OH-CG2 3.48Å; Y491-E500 PolarHBondContact OH-O 3.44Å; Y491-V504 HydrophobicContact CE2-CG1 4.33Å; Y491-V505 HydrophobicContact CD1-CG2 4.01Å; Y491-V505 HydrophobicContact CE1-CG2 4.31Å; Y491-F557 HydrophobicContact CD1-CD1 4.31Å; Y491-F557 HydrophobicContact CD1-CE1 4.21Å; Y491-F557 HydrophobicContact CE1-CD1 4.23Å; Y491-F557 HydrophobicContact CE1-CE1 4.29Å; Y491-A559 HydrophobicContact CD1-CB 4.4Å; Y491-A559 PolarHBondContact N-O 3.31Å; Y491-A559 PolarHBondContact O-N 3.04Å
492	C	95.4	Very high	88.5	Confident	0 Å²	0	19.4 Å²	19.4	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	153.1	175.8	60.6	0	0	0	0	112.1	P353 L436 A438 F556 F557	P353-C492 HydrophobicContact CB-CB 4.02Å; P353-C492 HydrophobicContact CG-CB 3.68Å; P353-C492 VanDerWaalsContact CG-SG 3.56Å; L436-C492 PolarHBondContact O-N 2.84Å; L436-C492 PolarHBondContact O-SG 2.75Å; A438-C492 PolarHBondContact N-O 2.92Å; C492-F556 HydrophobicContact CB-CE1 3.62Å; C492-F556 HydrophobicContact CB-CZ 3.63Å; C492-F557 WeakPolarHBondContact CA-O 3.45Å; C492-F557 WeakPolarHBondContact CB-O 3.33Å
493	T	95.5	Very high	89.3	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	151.3	-179.2	52.3	0	0	0	0	110.7	A438 Y491 S495 N501 F556 F557	A438-T493 HydrophobicContact CB-CG2 4.05Å; Y491-T493 HydrophobicContact CE1-CG2 3.86Å; Y491-T493 HydrophobicContact CE2-CG2 4.15Å; Y491-T493 VanDerWaalsContact CZ-CG2 3.46Å; Y491-T493 WeakPolarHBondContact OH-CG2 3.48Å; T493-S495 PolarHBondContact O-N 3.06Å; T493-N501 PolarHBondContact OG1-OD1 3.02Å; T493-F556 VanDerWaalsContact O-CD2 3.22Å; T493-F556 WeakPolarHBondContact O-CD2 3.17Å; T493-F556 WeakPolarHBondContact O-CE2 3.34Å; T493-F556 WeakPolarHBondContact O-CG 3.34Å; T493-F557 PolarHBondContact N-O 3.16Å; T493-F557 PolarHBondContact O-N 3.2Å
494	C	93.4	Very high	90.3	Very high	25 Å²	25	17.3 Å²	17.3	17%	0.169	10%	0.104	C	C	.	.	S	Bend	trans	-88.2	29.1	172.4	70.1	0	0	0	0	113.1	C440 G442 G444 V445	C440-C494 WeakPolarHBondContact CB-SG 3.45Å; C440-C494 WeakPolarHBondContact SG-CB 3.43Å; C440-C494 PolarHBondContact SG-N 2.99Å; C440-C494 CovalentContact SG-SG 2.07Å; C440-C494 PolarHBondContact SG-SG 3.2Å; G442-C494 CarbonylContact C-O 3.57Å; G444-C494 WeakPolarHBondContact CA-O 3.23Å; G444-C494 PolarHBondContact N-O 3.41Å; V445-C494 HydrophobicContact CG1-CB 4.3Å
495	S	93.2	Very high	91.7	Very high	1 Å²	1	11 Å²	11	1%	0.007	6%	0.06	C	C	.	.			trans	-124.7	147	-173.6	-175.7	0	0	0	0	110.4	S441 T443 T493 M497 E500 N501	S441-S495 PolarHBondContact OG-OG 3.11Å; T443-S495 WeakPolarHBondContact OG1-CA 3.4Å; T443-S495 PolarHBondContact OG1-OG 3.48Å; T493-S495 PolarHBondContact O-N 3.06Å; S495-M497 PolarHBondContact OG-N 3.36Å; S495-E500 VanDerWaalsContact CB-OE2 3.24Å; S495-E500 WeakPolarHBondContact CB-OE2 3.42Å; S495-E500 PolarHBondContact OG-OE2 3.43Å; S495-N501 PolarHBondContact O-ND2 3.03Å
496	I	92.5	Very high	92.9	Very high	3 Å²	3	9.1 Å²	9.1	2%	0.015	5%	0.045	C	C	.	.			trans	-98.5	-6.7	173.4	54.9	158.2	0	0	0	112.6	L265 L268 F269 F277 T443 R545 Y547	L265-I496 HydrophobicContact CD2-CD1 3.43Å; L265-I496 VanDerWaalsContact CD2-CD1 3.43Å; L268-I496 HydrophobicContact CD2-CB 4.21Å; L268-I496 HydrophobicContact CD2-CD1 3.96Å; L268-I496 HydrophobicContact CD2-CG1 4.38Å; L268-I496 WeakPolarHBondContact CD2-O 3.38Å; F269-I496 HydrophobicContact CE2-CD1 4.23Å; F277-I496 HydrophobicContact CE1-CD1 3.98Å; F277-I496 HydrophobicContact CE2-CD1 3.91Å; F277-I496 HydrophobicContact CZ-CD1 3.32Å; T443-I496 PolarHBondContact OG1-N 2.89Å; I496-R545 PolarHBondContact O-NH1 3.31Å; I496-Y547 HydrophobicContact CB-CE1 4.39Å; I496-Y547 HydrophobicContact CG2-CD1 4.19Å; I496-Y547 HydrophobicContact CG2-CE1 4.16Å
497	M	92.9	Very high	94	Very high	4 Å²	4	12.5 Å²	12.5	2%	0.02	6%	0.055	C	C	.	.			trans	-73.4	137.2	-174.1	-61	-61.7	155.5	0	0	111.7	L261 K264 L265 T443 I461 S495 E499 E500 N501	L261-M497 HydrophobicContact CD1-CE 3.37Å; K264-M497 HydrophobicContact CB-SD 4.2Å; L265-M497 HydrophobicContact CD2-CE 4.19Å; T443-M497 HydrophobicContact CG2-CE 3.74Å; T443-M497 HydrophobicContact CG2-CG 4Å; I461-M497 HydrophobicContact CD1-CG 4.22Å; S495-M497 PolarHBondContact OG-N 3.36Å; M497-E499 VanDerWaalsContact C-N 3.28Å; M497-E499 PolarHBondContact O-N 3.38Å; M497-E500 PolarHBondContact O-N 3.11Å; M497-N501 WeakPolarHBondContact O-CB 3.4Å; M497-N501 PolarHBondContact O-N 3.22Å; M497-N501 PolarHBondContact O-ND2 3.33Å
498	V	93.1	Very high	94.3	Very high	2 Å²	2	12.4 Å²	12.4	1%	0.012	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-31.9	-177.8	-175.8	0	0	0	0	111.1	L268 E500 N501 E502 W503 F528 F531 F536	L268-V498 HydrophobicContact CD1-CG2 3.64Å; V498-E500 VanDerWaalsContact C-N 3.31Å; V498-E500 PolarHBondContact O-N 3.19Å; V498-N501 PolarHBondContact O-N 2.94Å; V498-E502 HydrophobicContact CG1-CB 4.21Å; V498-E502 PolarHBondContact O-N 3.24Å; V498-W503 PolarHBondContact O-N 3.38Å; V498-W503 VanDerWaalsContact O-N 3.12Å; V498-F528 HydrophobicContact CG2-CD2 4.11Å; V498-F528 HydrophobicContact CG2-CE2 4.28Å; V498-F531 HydrophobicContact CB-CD1 4.21Å; V498-F531 HydrophobicContact CB-CE1 4.3Å; V498-F531 HydrophobicContact CB-CG 4.47Å; V498-F531 HydrophobicContact CG1-CB 4.24Å; V498-F531 HydrophobicContact CG1-CD1 4Å; V498-F531 HydrophobicContact CG1-CG 4.07Å; V498-F531 HydrophobicContact CG2-CD1 4.06Å; V498-F531 HydrophobicContact CG2-CD2 3.9Å; V498-F531 HydrophobicContact CG2-CE1 4.01Å; V498-F531 HydrophobicContact CG2-CE2 3.87Å; V498-F531 HydrophobicContact CG2-CG 3.99Å; V498-F531 HydrophobicContact CG2-CZ 3.92Å; V498-F536 HydrophobicContact CG1-CE2 4.05Å; V498-F536 HydrophobicContact CG1-CZ 3.8Å
499	E	93.3	Very high	94.2	Very high	14 Å²	14	11.2 Å²	11.2	7%	0.065	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-33.4	-179.7	-63.2	90	157.2	0	0	112.9	K264 I461 A465 M497 W503 V504	K264-E499 IonicContact NZ-OE1 3.49Å; K264-E499 PolarHBondContact NZ-OE1 3.35Å; I461-E499 HydrophobicContact CG2-CB 4.08Å; A465-E499 VanDerWaalsContact CB-O 3.28Å; A465-E499 WeakPolarHBondContact CB-O 3.34Å; M497-E499 VanDerWaalsContact C-N 3.28Å; M497-E499 PolarHBondContact O-N 3.38Å; E499-W503 HydrophobicContact CB-CD2 4.4Å; E499-W503 HydrophobicContact CB-CE3 4.03Å; E499-W503 HydrophobicContact CB-CZ3 4.4Å; E499-W503 HydrophobicContact CG-CD2 4.22Å; E499-W503 HydrophobicContact CG-CE3 3.85Å; E499-W503 HydrophobicContact CG-CH2 4.08Å; E499-W503 HydrophobicContact CG-CZ2 4.4Å; E499-W503 HydrophobicContact CG-CZ3 3.78Å; E499-W503 WeakPolarHBondContact O-CB 3.38Å; E499-V504 WeakPolarHBondContact O-CG2 3.5Å
500	E	94.3	Very high	94.1	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-23.7	175.6	-68.8	-177.5	98	0	0	111.9	C440 S441 I461 A465 Q468 Y491 S495 M497 V498 V504	C440-E500 VanDerWaalsContact CA-OE1 3.31Å; C440-E500 WeakPolarHBondContact CA-OE1 3.48Å; S441-E500 VanDerWaalsContact CB-OE2 3.29Å; S441-E500 WeakPolarHBondContact CB-OE2 3.42Å; S441-E500 PolarHBondContact N-OE1 3.11Å; S441-E500 PolarHBondContact OG-OE2 3.29Å; I461-E500 HydrophobicContact CG2-CG 4.04Å; A465-E500 HydrophobicContact CB-CG 4.35Å; Q468-E500 PolarHBondContact NE2-OE1 3.34Å; Q468-E500 PolarHBondContact OE1-O 3.14Å; Y491-E500 PolarHBondContact OH-O 3.44Å; S495-E500 VanDerWaalsContact CB-OE2 3.24Å; S495-E500 WeakPolarHBondContact CB-OE2 3.42Å; S495-E500 PolarHBondContact OG-OE2 3.43Å; M497-E500 PolarHBondContact O-N 3.11Å; V498-E500 VanDerWaalsContact C-N 3.31Å; V498-E500 PolarHBondContact O-N 3.19Å; E500-V504 WeakPolarHBondContact O-CB 3.28Å; E500-V504 WeakPolarHBondContact O-CG2 3.21Å
501	N	94.6	Very high	93.8	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.005	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-95.2	-173.4	-64	-15.8	0	0	0	111.3	T493 S495 M497 V498 W503 V504 V505 F557	T493-N501 PolarHBondContact OG1-OD1 3.02Å; S495-N501 PolarHBondContact O-ND2 3.03Å; M497-N501 WeakPolarHBondContact O-CB 3.4Å; M497-N501 PolarHBondContact O-N 3.22Å; M497-N501 PolarHBondContact O-ND2 3.33Å; V498-N501 PolarHBondContact O-N 2.94Å; N501-W503 VanDerWaalsContact C-N 3.26Å; N501-W503 PolarHBondContact O-N 3.13Å; N501-V504 PolarHBondContact O-N 3.41Å; N501-V505 PolarHBondContact O-N 2.87Å; N501-V505 VanDerWaalsContact O-N 3.11Å; N501-F557 HydrophobicContact CB-CB 4.47Å; N501-F557 HydrophobicContact CB-CD1 3.78Å; N501-F557 HydrophobicContact CB-CD2 4.01Å; N501-F557 HydrophobicContact CB-CE1 3.91Å; N501-F557 HydrophobicContact CB-CE2 4.12Å; N501-F557 HydrophobicContact CB-CG 3.83Å; N501-F557 HydrophobicContact CB-CZ 4.07Å; N501-F557 WeakPolarHBondContact ND2-CB 3.46Å
502	E	94.2	Very high	93.4	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-58.8	-36.3	-173.6	-70.5	77	-179	0	0	112.5	V498 V504 V505 D506 F528 F536 L540 R545	V498-E502 HydrophobicContact CG1-CB 4.21Å; V498-E502 PolarHBondContact O-N 3.24Å; E502-V504 VanDerWaalsContact C-N 3.29Å; E502-V504 PolarHBondContact O-N 2.99Å; E502-V505 PolarHBondContact O-N 3.44Å; E502-D506 WeakPolarHBondContact O-CB 3.44Å; E502-D506 PolarHBondContact O-N 3.45Å; E502-F528 PolarHBondContact OE1-N 3.44Å; E502-F536 HydrophobicContact CB-CD2 4.17Å; E502-F536 HydrophobicContact CB-CE1 4.48Å; E502-F536 HydrophobicContact CB-CE2 4.04Å; E502-F536 HydrophobicContact CB-CG 4.43Å; E502-F536 HydrophobicContact CB-CZ 4.22Å; E502-L540 HydrophobicContact CB-CD1 4.29Å; E502-L540 HydrophobicContact CB-CD2 4.33Å; E502-L540 HydrophobicContact CG-CD1 4.41Å; E502-L540 HydrophobicContact CG-CD2 4.08Å; E502-R545 IonicContact OE1-CZ 2.7Å; E502-R545 IonicContact OE1-NE 3.22Å; E502-R545 PolarHBondContact OE1-NE 3.46Å; E502-R545 IonicContact OE1-NH2 3.18Å; E502-R545 PolarHBondContact OE1-NH2 3.47Å; E502-R545 IonicContact OE2-CZ 3.85Å; E502-R545 IonicContact OE2-NE 2.61Å; E502-R545 IonicContact OE2-NH2 2.66Å; E502-R545 PolarHBondContact OE2-NH2 3.18Å
503	W	94.1	Very high	93.1	Very high	59 Å²	59	27.6 Å²	27.6	22%	0.223	13%	0.125	C	C	.	.	H	α-helix	trans	-63	-37.6	178.6	-80.2	28.7	0	0	0	112.5	V498 E499 N501 Y507 F534 F536	V498-W503 PolarHBondContact O-N 3.38Å; V498-W503 VanDerWaalsContact O-N 3.12Å; E499-W503 HydrophobicContact CB-CD2 4.4Å; E499-W503 HydrophobicContact CB-CE3 4.03Å; E499-W503 HydrophobicContact CB-CZ3 4.4Å; E499-W503 HydrophobicContact CG-CD2 4.22Å; E499-W503 HydrophobicContact CG-CE3 3.85Å; E499-W503 HydrophobicContact CG-CH2 4.08Å; E499-W503 HydrophobicContact CG-CZ2 4.4Å; E499-W503 HydrophobicContact CG-CZ3 3.78Å; E499-W503 WeakPolarHBondContact O-CB 3.38Å; N501-W503 VanDerWaalsContact C-N 3.26Å; N501-W503 PolarHBondContact O-N 3.13Å; W503-Y507 VanDerWaalsContact O-CB 3.26Å; W503-Y507 WeakPolarHBondContact O-CB 3.25Å; W503-Y507 PolarHBondContact O-N 3.33Å; W503-F534 HydrophobicContact CH2-CE2 4.06Å; W503-F534 AromaticContact CH2-CZ 3.95Å; W503-F534 HydrophobicContact CH2-CZ 3.95Å; W503-F534 HydrophobicContact CZ2-CD1 4.31Å; W503-F534 AromaticContact CZ2-CD2 3.68Å; W503-F534 HydrophobicContact CZ2-CD2 3.68Å; W503-F534 HydrophobicContact CZ2-CE1 4.1Å; W503-F534 AromaticContact CZ2-CE2 3.45Å; W503-F534 HydrophobicContact CZ2-CE2 3.45Å; W503-F534 VanDerWaalsContact CZ2-CE2 3.45Å; W503-F534 HydrophobicContact CZ2-CG 4.11Å; W503-F534 AromaticContact CZ2-CZ 3.66Å; W503-F534 HydrophobicContact CZ2-CZ 3.66Å; W503-F536 AromaticContact CD1-CE1 3.14Å; W503-F536 AromaticContact CD1-CZ 3.22Å; W503-F536 HydrophobicContact CG-CE1 4.22Å; W503-F536 AromaticContact NE1-CE1 3.4Å; W503-F536 AromaticContact NE1-CZ 3.25Å
504	V	95.3	Very high	92.9	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-73.2	-42	179.2	179.6	0	0	0	0	109.9	A465 Q468 K469 L472 Y491 E499 E500 N501 E502 Y507 A508	A465-V504 HydrophobicContact CB-CG2 4.35Å; Q468-V504 HydrophobicContact CB-CG1 4.13Å; Q468-V504 HydrophobicContact CB-CG2 4.29Å; K469-V504 HydrophobicContact CG-CB 4.25Å; K469-V504 HydrophobicContact CG-CG1 3.93Å; K469-V504 HydrophobicContact CG-CG2 4.04Å; L472-V504 HydrophobicContact CB-CG1 4.43Å; L472-V504 HydrophobicContact CD2-CG1 3.81Å; Y491-V504 HydrophobicContact CE2-CG1 4.33Å; E499-V504 WeakPolarHBondContact O-CG2 3.5Å; E500-V504 WeakPolarHBondContact O-CB 3.28Å; E500-V504 WeakPolarHBondContact O-CG2 3.21Å; N501-V504 PolarHBondContact O-N 3.41Å; E502-V504 VanDerWaalsContact C-N 3.29Å; E502-V504 PolarHBondContact O-N 2.99Å; V504-Y507 PolarHBondContact O-N 2.62Å; V504-A508 PolarHBondContact O-N 2.72Å; V504-A508 VanDerWaalsContact O-N 3.1Å
505	V	94.9	Very high	92.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-65.5	-48.1	177.9	171.4	0	0	0	0	111.9	Y491 N501 E502 Y507 A508 L509 L516 L540 F557 A559 F561	Y491-V505 HydrophobicContact CD1-CG2 4.01Å; Y491-V505 HydrophobicContact CE1-CG2 4.31Å; N501-V505 PolarHBondContact O-N 2.87Å; N501-V505 VanDerWaalsContact O-N 3.11Å; E502-V505 PolarHBondContact O-N 3.44Å; V505-Y507 VanDerWaalsContact C-N 3.29Å; V505-Y507 PolarHBondContact O-N 3.06Å; V505-A508 PolarHBondContact O-N 3.02Å; V505-A508 VanDerWaalsContact O-N 3.13Å; V505-L509 HydrophobicContact CG1-CD1 4.15Å; V505-L509 WeakPolarHBondContact O-CG 3.11Å; V505-L509 PolarHBondContact O-N 2.82Å; V505-L516 HydrophobicContact CG1-CD1 3.85Å; V505-L516 HydrophobicContact CG1-CD2 4.06Å; V505-L516 HydrophobicContact CG1-CG 4.37Å; V505-L540 HydrophobicContact CB-CD2 3.88Å; V505-L540 HydrophobicContact CG1-CD2 3.4Å; V505-L540 HydrophobicContact CG1-CG 4.41Å; V505-F557 HydrophobicContact CG2-CE1 3.96Å; V505-F557 HydrophobicContact CG2-CZ 4.37Å; V505-A559 HydrophobicContact CG2-CB 3.9Å; V505-F561 HydrophobicContact CB-CZ 4.13Å; V505-F561 HydrophobicContact CG1-CE1 3.9Å; V505-F561 HydrophobicContact CG1-CZ 3.59Å; V505-F561 HydrophobicContact CG2-CZ 3.97Å
506	D	94.1	Very high	92.9	Very high	15 Å²	15	33.3 Å²	33.3	8%	0.08	15%	0.148	C	C	.	.	H	α-helix	trans	-61.5	-38.9	178.1	-175	67.4	0	0	0	111.4	E502 A508 L509 K510 F536 H537 L540	E502-D506 WeakPolarHBondContact O-CB 3.44Å; E502-D506 PolarHBondContact O-N 3.45Å; D506-A508 PolarHBondContact O-N 3.47Å; D506-L509 PolarHBondContact O-N 2.86Å; D506-K510 WeakPolarHBondContact O-CG 3.49Å; D506-K510 PolarHBondContact O-N 3.15Å; D506-K510 VanDerWaalsContact O-N 3.16Å; D506-K510 IonicContact OD1-NZ 3.56Å; D506-K510 VanDerWaalsContact OD2-CE 3.27Å; D506-K510 WeakPolarHBondContact OD2-CE 3.34Å; D506-K510 IonicContact OD2-NZ 2.7Å; D506-K510 PolarHBondContact OD2-NZ 2.67Å; D506-F536 HydrophobicContact CB-CD1 4.08Å; D506-H537 PolarHBondContact OD1-N 3.48Å; D506-H537 VanDerWaalsContact OD1-N 3.16Å; D506-L540 HydrophobicContact CB-CD1 4.34Å
507	Y	94.2	Very high	92.9	Very high	81 Å²	81	34.8 Å²	34.8	32%	0.318	16%	0.157	S	C	.	.	H	α-helix	trans	-60.9	-43.3	173.4	177	-101.5	0	0	0	112.4	K469 L473 W503 V504 V505 K510 K511	K469-Y507 HydrophobicContact CB-CD1 3.78Å; K469-Y507 HydrophobicContact CB-CE1 3.88Å; K469-Y507 HydrophobicContact CD-CD1 3.96Å; K469-Y507 HydrophobicContact CD-CE1 4.41Å; K469-Y507 HydrophobicContact CD-CG 4.06Å; K469-Y507 HydrophobicContact CG-CD1 3.68Å; K469-Y507 HydrophobicContact CG-CE1 4.24Å; K469-Y507 HydrophobicContact CG-CG 4.17Å; L473-Y507 HydrophobicContact CD1-CE1 3.78Å; L473-Y507 HydrophobicContact CG-CE1 4.24Å; W503-Y507 VanDerWaalsContact O-CB 3.26Å; W503-Y507 WeakPolarHBondContact O-CB 3.25Å; W503-Y507 PolarHBondContact O-N 3.33Å; V504-Y507 PolarHBondContact O-N 2.62Å; V505-Y507 VanDerWaalsContact C-N 3.29Å; V505-Y507 PolarHBondContact O-N 3.06Å; Y507-K510 PolarHBondContact O-N 3.24Å; Y507-K511 HydrophobicContact CD2-CG 4.39Å; Y507-K511 HydrophobicContact CE1-CG 4.21Å; Y507-K511 HydrophobicContact CE2-CD 4.44Å; Y507-K511 HydrophobicContact CE2-CG 3.97Å; Y507-K511 WeakPolarHBondContact O-CG 3.46Å; Y507-K511 PolarHBondContact O-N 2.69Å
508	A	93.6	Very high	92.9	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.008	18%	0.181	C	C	.	.	H	α-helix	trans	-67.5	-40.1	178.4	0	0	0	0	0	112.7	L472 I476 V504 V505 D506 K510 K511 R512	L472-A508 HydrophobicContact CD2-CB 3.48Å; L472-A508 VanDerWaalsContact CD2-CB 3.48Å; L472-A508 HydrophobicContact CG-CB 3.91Å; I476-A508 HydrophobicContact CD1-CB 3.9Å; V504-A508 PolarHBondContact O-N 2.72Å; V504-A508 VanDerWaalsContact O-N 3.1Å; V505-A508 PolarHBondContact O-N 3.02Å; V505-A508 VanDerWaalsContact O-N 3.13Å; D506-A508 PolarHBondContact O-N 3.47Å; A508-K510 VanDerWaalsContact C-N 3.27Å; A508-K510 PolarHBondContact O-N 2.97Å; A508-K511 PolarHBondContact O-N 3.08Å; A508-R512 PolarHBondContact O-N 3.12Å; A508-R512 VanDerWaalsContact O-N 3.12Å
509	L	92.1	Very high	92.6	Very high	26 Å²	26	38.4 Å²	38.4	14%	0.136	18%	0.181	C	C	.	.	H	α-helix	trans	-59.1	-37.1	175.4	-72.5	170.3	0	0	0	112.3	V505 D506 V514 L516 H537 F561	V505-L509 HydrophobicContact CG1-CD1 4.15Å; V505-L509 WeakPolarHBondContact O-CG 3.11Å; V505-L509 PolarHBondContact O-N 2.82Å; D506-L509 PolarHBondContact O-N 2.86Å; L509-V514 HydrophobicContact CD2-CG2 4.21Å; L509-V514 WeakPolarHBondContact CD2-O 3.48Å; L509-L516 HydrophobicContact CD1-CD1 3.89Å; L509-L516 HydrophobicContact CD1-CG 4.22Å; L509-L516 HydrophobicContact CD2-CG 4.21Å; L509-H537 HydrophobicContact CD1-CB 4.04Å; L509-F561 HydrophobicContact CD2-CD1 4.41Å; L509-F561 HydrophobicContact CD2-CE1 4.17Å; L509-F561 HydrophobicContact CG-CE1 4.27Å
510	K	91.4	Very high	92.2	Very high	148 Å²	148	40.9 Å²	40.9	64%	0.643	21%	0.21	S	C	*	.	H	α-helix	trans	-75.4	-25.4	178.5	-72.1	169.4	177.5	165.9	0	113.8	D506 Y507 A508	D506-K510 WeakPolarHBondContact O-CG 3.49Å; D506-K510 PolarHBondContact O-N 3.15Å; D506-K510 VanDerWaalsContact O-N 3.16Å; D506-K510 IonicContact OD1-NZ 3.56Å; D506-K510 VanDerWaalsContact OD2-CE 3.27Å; D506-K510 WeakPolarHBondContact OD2-CE 3.34Å; D506-K510 IonicContact OD2-NZ 2.7Å; D506-K510 PolarHBondContact OD2-NZ 2.67Å; Y507-K510 PolarHBondContact O-N 3.24Å; A508-K510 VanDerWaalsContact C-N 3.27Å; A508-K510 PolarHBondContact O-N 2.97Å
511	K	90.6	Very high	91.8	Very high	84 Å²	84	41.5 Å²	41.5	37%	0.365	21%	0.213	S	C	.	.	H	α-helix	trans	-99.9	-18	-171.3	-72.8	-70.2	-173.1	-178.8	0	114.4	L473 Y507 A508	L473-K511 HydrophobicContact CD2-CB 3.84Å; Y507-K511 HydrophobicContact CD2-CG 4.39Å; Y507-K511 HydrophobicContact CE1-CG 4.21Å; Y507-K511 HydrophobicContact CE2-CD 4.44Å; Y507-K511 HydrophobicContact CE2-CG 3.97Å; Y507-K511 WeakPolarHBondContact O-CG 3.46Å; Y507-K511 PolarHBondContact O-N 2.69Å; A508-K511 PolarHBondContact O-N 3.08Å
512	R	88.8	Confident	91.2	Very high	42 Å²	42	48.5 Å²	48.5	16%	0.158	25%	0.251	C	S	.	.	S	Bend	trans	-140.5	155.3	-173.4	-65.9	-65.3	-172.6	-92.4	1.4	111	L473 I476 D477 A508 V514	L473-R512 HydrophobicContact CD2-CG 3.76Å; I476-R512 HydrophobicContact CD1-CB 4.28Å; I476-R512 HydrophobicContact CD1-CG 4.28Å; I476-R512 HydrophobicContact CG2-CB 3.94Å; I476-R512 HydrophobicContact CG2-CG 3.99Å; D477-R512 IonicContact OD1-CZ 2.72Å; D477-R512 IonicContact OD1-NE 3.94Å; D477-R512 PolarHBondContact OD1-NE 3.05Å; D477-R512 IonicContact OD1-NH2 3.62Å; D477-R512 IonicContact OD2-CZ 2.76Å; D477-R512 IonicContact OD2-NE 2.66Å; D477-R512 PolarHBondContact OD2-NE 2.96Å; D477-R512 IonicContact OD2-NH2 3.63Å; D477-R512 PolarHBondContact OD2-NH2 3.1Å; A508-R512 PolarHBondContact O-N 3.12Å; A508-R512 VanDerWaalsContact O-N 3.12Å; R512-V514 HydrophobicContact CB-CG1 4.45Å; R512-V514 HydrophobicContact CB-CG2 4.27Å; R512-V514 PolarHBondContact O-N 3.4Å
513	N	88.5	Confident	90.8	Very high	74 Å²	74	50.6 Å²	50.6	40%	0.396	26%	0.26	S	S	.	.	S	Bend	trans	-81.1	70.3	178.8	-64.8	-15.8	0	0	0	111.2	F564 S565 P569	N513-F564 PolarHBondContact O-N 2.98Å; N513-S565 VanDerWaalsContact CB-OG 3.24Å; N513-S565 WeakPolarHBondContact CB-OG 3.38Å; N513-S565 PolarHBondContact ND2-OG 2.96Å; N513-P569 WeakPolarHBondContact OD1-CG 3.47Å
514	V	91.6	Very high	90.5	Very high	17 Å²	17	48.5 Å²	48.5	10%	0.103	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	148.1	178.7	-68.6	0	0	0	0	110.2	I476 L509 R512 F561 K562 K563	I476-V514 HydrophobicContact CD1-CG1 4.18Å; I476-V514 HydrophobicContact CD1-CG2 4.12Å; I476-V514 HydrophobicContact CG1-CG1 4.18Å; I476-V514 HydrophobicContact CG2-CG1 3.55Å; L509-V514 HydrophobicContact CD2-CG2 4.21Å; L509-V514 WeakPolarHBondContact CD2-O 3.48Å; R512-V514 HydrophobicContact CB-CG1 4.45Å; R512-V514 HydrophobicContact CB-CG2 4.27Å; R512-V514 PolarHBondContact O-N 3.4Å; V514-F561 HydrophobicContact CB-CD1 4.24Å; V514-F561 HydrophobicContact CG2-CD1 4.03Å; V514-F561 HydrophobicContact CG2-CE1 4.47Å; V514-K562 WeakPolarHBondContact CA-O 3.38Å; V514-K563 HydrophobicContact CG1-CB 4.27Å; V514-K563 HydrophobicContact CG1-CG 4.26Å
515	K	92.9	Very high	90.3	Very high	126 Å²	126	52.2 Å²	52.2	55%	0.548	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	145.9	171.2	-166.1	-175.6	173.5	175.5	0	109.1	F561 K562 F564	K515-F561 CarbonylContact O-C 3.2Å; K515-F561 WeakPolarHBondContact O-CA 3.38Å; K515-K562 PolarHBondContact N-O 3.2Å; K515-K562 PolarHBondContact O-N 3.06Å; K515-F564 HydrophobicContact CB-CD2 4.28Å; K515-F564 HydrophobicContact CB-CE2 3.29Å; K515-F564 HydrophobicContact CB-CZ 3.9Å; K515-F564 HydrophobicContact CD-CE2 4.29Å; K515-F564 HydrophobicContact CD-CZ 4.06Å; K515-F564 HydrophobicContact CG-CE2 4.42Å
516	L	94.2	Very high	90.1	Very high	2 Å²	2	57.3 Å²	57.3	1%	0.01	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	136.8	166.8	-73.1	173.3	0	0	0	110.2	V505 L509 S539 L540 L542 T543 A559 K560 F561	V505-L516 HydrophobicContact CG1-CD1 3.85Å; V505-L516 HydrophobicContact CG1-CD2 4.06Å; V505-L516 HydrophobicContact CG1-CG 4.37Å; L509-L516 HydrophobicContact CD1-CD1 3.89Å; L509-L516 HydrophobicContact CD1-CG 4.22Å; L509-L516 HydrophobicContact CD2-CG 4.21Å; L516-S539 VanDerWaalsContact CD1-O 3.32Å; L516-S539 WeakPolarHBondContact CD1-O 3.41Å; L516-L540 HydrophobicContact CD1-CD2 3.97Å; L516-L540 HydrophobicContact CD1-CG 4.12Å; L516-L542 HydrophobicContact CB-CD1 4.39Å; L516-T543 HydrophobicContact CD1-CG2 3.91Å; L516-T543 HydrophobicContact CD2-CG2 4.18Å; L516-A559 HydrophobicContact CD2-CB 4.24Å; L516-K560 WeakPolarHBondContact CA-O 3.45Å; L516-K560 WeakPolarHBondContact CD2-O 3.44Å; L516-F561 HydrophobicContact CD2-CD1 3.62Å; L516-F561 HydrophobicContact CD2-CD2 4.36Å; L516-F561 HydrophobicContact CD2-CE1 3.49Å; L516-F561 VanDerWaalsContact CD2-CE1 3.49Å; L516-F561 HydrophobicContact CD2-CE2 4.24Å; L516-F561 HydrophobicContact CD2-CG 4.09Å; L516-F561 HydrophobicContact CD2-CZ 3.84Å; L516-F561 HydrophobicContact CG-CD1 4.29Å; L516-F561 HydrophobicContact CG-CE1 4.15Å
517	V	92.8	Very high	89.9	Confident	35 Å²	35	56.9 Å²	56.9	21%	0.212	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	146.8	176.9	177.2	0	0	0	0	107.5	T519 K560 K562	V517-T519 PolarHBondContact O-N 2.94Å; V517-K560 PolarHBondContact N-O 3.41Å; V517-K562 HydrophobicContact CG2-CB 3.51Å; V517-K562 HydrophobicContact CG2-CD 4.39Å
518	P	92	Very high	89.7	Confident	78 Å²	78	55.7 Å²	55.7	51%	0.506	29%	0.292	S	S	.	.			trans	-50.3	134.5	173.7	-25.1	32.4	0	0	0	111.3	G520 L542	P518-G520 PolarHBondContact O-N 3.42Å; P518-L542 HydrophobicContact CG-CD2 4.16Å
519	T	87.3	Confident	89.4	Confident	4 Å²	4	58 Å²	58	3%	0.025	31%	0.306	C	S	.	.			trans	-67.3	-19.8	-177	52.6	0	0	0	0	113.1	A356 V517 L521 R544 V558 K560	A356-T519 VanDerWaalsContact CA-O 3.31Å; A356-T519 WeakPolarHBondContact CA-O 3.43Å; A356-T519 WeakPolarHBondContact CB-O 3.44Å; V517-T519 PolarHBondContact O-N 2.94Å; T519-L521 VanDerWaalsContact C-N 3.3Å; T519-R544 WeakPolarHBondContact OG1-CG 3.18Å; T519-V558 HydrophobicContact CG2-CB 4.49Å; T519-V558 HydrophobicContact CG2-CG1 3.96Å; T519-K560 HydrophobicContact CG2-CB 4.11Å
520	G	85	Confident	89.2	Confident	66 Å²	66	60.2 Å²	60.2	68%	0.68	32%	0.324	S	S	*	.			trans	74.8	21.2	-174.8	0	0	0	0	0	113.1	P518	P518-G520 PolarHBondContact O-N 3.42Å
521	L	86.2	Confident	88.9	Confident	12 Å²	12	54.4 Å²	54.4	6%	0.063	30%	0.299	C	S	.	.			trans	-98.9	128.8	172.6	-58.5	172.7	0	0	0	108.5	L352 M355 T519 F523 F546 V558	L352-L521 HydrophobicContact CB-CD1 4.05Å; L352-L521 HydrophobicContact CD2-CD1 4.4Å; L352-L521 HydrophobicContact CD2-CD2 4.09Å; M355-L521 HydrophobicContact CB-CD2 4.21Å; T519-L521 VanDerWaalsContact C-N 3.3Å; L521-F523 PolarHBondContact O-N 3.18Å; L521-F546 HydrophobicContact CD1-CE2 4.05Å; L521-F546 HydrophobicContact CD1-CZ 3.75Å; L521-V558 HydrophobicContact CD1-CG2 4.48Å
522	D	81.7	Confident	88.7	Confident	148 Å²	148	56.6 Å²	56.6	79%	0.791	31%	0.308	S	S	*	.	S	Bend	trans	-73.2	-9.5	-174.9	-54.8	-38.1	0	0	0	113.7
523	F	86.7	Confident	88.5	Confident	45 Å²	45	64.1 Å²	64.1	20%	0.197	34%	0.342	C	S	.	.			trans	-145.4	167.6	-172.9	70.4	-76.2	0	0	0	111.7	W318 L352 L521 F546 H551 M553	W318-F523 HydrophobicContact CB-CD1 4.23Å; W318-F523 HydrophobicContact CB-CE1 3.74Å; W318-F523 AromaticContact CD1-CE1 3.59Å; W318-F523 AromaticContact CD1-CZ 3.84Å; W318-F523 AromaticContact CD2-CE1 3.43Å; W318-F523 HydrophobicContact CD2-CE1 3.43Å; W318-F523 VanDerWaalsContact CD2-CE1 3.43Å; W318-F523 AromaticContact CD2-CZ 3.55Å; W318-F523 HydrophobicContact CD2-CZ 3.55Å; W318-F523 AromaticContact CE2-CE1 3.8Å; W318-F523 AromaticContact CE2-CZ 3.42Å; W318-F523 VanDerWaalsContact CE2-CZ 3.42Å; W318-F523 AromaticContact CE3-CE1 3.94Å; W318-F523 HydrophobicContact CE3-CE1 3.94Å; W318-F523 HydrophobicContact CE3-CZ 4.04Å; W318-F523 HydrophobicContact CG-CD1 4.12Å; W318-F523 AromaticContact CG-CE1 3.33Å; W318-F523 HydrophobicContact CG-CE1 3.33Å; W318-F523 AromaticContact CG-CZ 3.85Å; W318-F523 HydrophobicContact CG-CZ 3.85Å; W318-F523 HydrophobicContact CH2-CZ 4.28Å; W318-F523 AromaticContact CZ2-CZ 3.82Å; W318-F523 HydrophobicContact CZ2-CZ 3.82Å; W318-F523 HydrophobicContact CZ3-CZ 4.38Å; W318-F523 AromaticContact NE1-CE1 3.87Å; W318-F523 AromaticContact NE1-CZ 3.61Å; L352-F523 HydrophobicContact CD2-CE1 4.31Å; L352-F523 HydrophobicContact CD2-CZ 3.88Å; L521-F523 PolarHBondContact O-N 3.18Å; F523-F546 HydrophobicContact CD2-CD1 4.19Å; F523-F546 AromaticContact CD2-CE1 3.69Å; F523-F546 HydrophobicContact CD2-CE1 3.69Å; F523-F546 AromaticContact CE2-CD1 3.89Å; F523-F546 HydrophobicContact CE2-CD1 3.89Å; F523-F546 AromaticContact CE2-CE1 3.53Å; F523-F546 HydrophobicContact CE2-CE1 3.53Å; F523-F546 HydrophobicContact CG-CE1 4.4Å; F523-F546 HydrophobicContact CZ-CE1 4.07Å; F523-F546 WeakPolarHBondContact O-CE1 3.49Å; F523-H551 AromaticContact CD2-CD2 3.77Å; F523-M553 HydrophobicContact CE2-CE 3.49Å; F523-M553 VanDerWaalsContact CE2-CE 3.49Å; F523-M553 HydrophobicContact CE2-SD 4.4Å; F523-M553 HydrophobicContact CZ-CE 4.04Å
524	G	86.5	Confident	88.3	Confident	14 Å²	14	65.5 Å²	65.5	14%	0.144	35%	0.345	C	S	.	.	S	Bend	trans	115.2	144.3	-175.5	0	0	0	0	0	112.1	R544	G524-R544 PolarHBondContact O-NH1 3.08Å; G524-R544 VanDerWaalsContact O-NH1 3.08Å
525	K	90.6	Very high	88.1	Confident	78 Å²	78	75.2 Å²	75.2	34%	0.339	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	144.6	175.2	-66.6	-163.8	-177.5	-176.8	0	109.3	E273 R545 Y547	E273-K525 IonicContact OE1-NZ 3.97Å; E273-K525 PolarHBondContact OE1-NZ 3.03Å; E273-K525 IonicContact OE2-NZ 3.42Å; E273-K525 PolarHBondContact OE2-NZ 2.92Å; K525-R545 HydrophobicContact CB-CB 4.38Å; K525-R545 PolarHBondContact N-O 3.03Å; K525-R545 PolarHBondContact O-N 3.38Å; K525-Y547 HydrophobicContact CB-CD2 4.38Å; K525-Y547 HydrophobicContact CB-CE2 4.12Å; K525-Y547 HydrophobicContact CD-CD2 3.76Å; K525-Y547 HydrophobicContact CD-CE2 3.76Å; K525-Y547 HydrophobicContact CG-CD2 4.17Å; K525-Y547 HydrophobicContact CG-CE2 4.27Å
526	E	92.6	Very high	88	Confident	107 Å²	107	70.2 Å²	70.2	50%	0.5	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	152.5	178.3	-65.2	-179.2	177.6	0	0	111.1	R544	E526-R544 IonicContact OE1-NH1 3.08Å
527	G	88.8	Confident	87.7	Confident	6 Å²	6	74.5 Å²	74.5	6%	0.062	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-66.4	155.4	172.9	0	0	0	0	0	112.4	T543	G527-T543 WeakPolarHBondContact CA-OG1 3.34Å; G527-T543 PolarHBondContact N-O 3.35Å
528	F	89.6	Confident	87.5	Confident	57 Å²	57	77 Å²	77	25%	0.25	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-74.9	132.3	179.7	-63	-60	0	0	0	111.7	L268 V498 E502 F531 F536	L268-F528 HydrophobicContact CD1-CE2 3.57Å; L268-F528 HydrophobicContact CD1-CZ 4.13Å; V498-F528 HydrophobicContact CG2-CD2 4.11Å; V498-F528 HydrophobicContact CG2-CE2 4.28Å; E502-F528 PolarHBondContact OE1-N 3.44Å; F528-F531 HydrophobicContact CD2-CD2 4.41Å; F528-F536 WeakPolarHBondContact O-CD2 3.31Å
529	T	88.7	Confident	87.4	Confident	48 Å²	48	74.3 Å²	74.3	29%	0.294	38%	0.378	S	S	.	.	S	Bend	trans	-90.3	-31.3	169.1	50.1	0	0	0	0	112.5	F536 Q541	T529-F536 PolarHBondContact O-N 3.2Å; T529-Q541 HydrophobicContact CG2-CG 3.29Å
530	S	86.2	Confident	87.6	Confident	74 Å²	74	74.1 Å²	74.1	52%	0.517	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	130.6	173.5	57.7	0	0	0	0	109.4	F534	S530-F534 WeakPolarHBondContact CA-O 3.28Å
531	F	86.5	Confident	87.9	Confident	25 Å²	25	75.5 Å²	75.5	11%	0.11	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	115.4	174.9	-175.9	-103.1	0	0	0	109.6	D267 L268 V498 F528 K533 F534 F536	D267-F531 HydrophobicContact CB-CZ 4.25Å; D267-F531 WeakPolarHBondContact O-CE2 3.42Å; L268-F531 HydrophobicContact CD1-CE2 4.09Å; V498-F531 HydrophobicContact CB-CD1 4.21Å; V498-F531 HydrophobicContact CB-CE1 4.3Å; V498-F531 HydrophobicContact CB-CG 4.47Å; V498-F531 HydrophobicContact CG1-CB 4.24Å; V498-F531 HydrophobicContact CG1-CD1 4Å; V498-F531 HydrophobicContact CG1-CG 4.07Å; V498-F531 HydrophobicContact CG2-CD1 4.06Å; V498-F531 HydrophobicContact CG2-CD2 3.9Å; V498-F531 HydrophobicContact CG2-CE1 4.01Å; V498-F531 HydrophobicContact CG2-CE2 3.87Å; V498-F531 HydrophobicContact CG2-CG 3.99Å; V498-F531 HydrophobicContact CG2-CZ 3.92Å; F528-F531 HydrophobicContact CD2-CD2 4.41Å; F531-K533 PolarHBondContact O-N 3.13Å; F531-K533 VanDerWaalsContact O-N 3.1Å; F531-F534 PolarHBondContact N-O 3.24Å; F531-F534 WeakPolarHBondContact O-CB 3.23Å; F531-F534 PolarHBondContact O-N 2.99Å; F531-F536 HydrophobicContact CB-CE2 3.64Å; F531-F536 HydrophobicContact CB-CZ 4.11Å
532	K	85.6	Confident	88.2	Confident	131 Å²	131	77.9 Å²	77.9	57%	0.57	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	-115.4	-172.2	-62.8	-176	165	-168.4	0	111.4	D267	D267-K532 WeakPolarHBondContact OD1-CE 3.23Å; D267-K532 IonicContact OD1-NZ 3.55Å; D267-K532 PolarHBondContact OD1-NZ 3.49Å; D267-K532 WeakPolarHBondContact OD2-CE 3.34Å; D267-K532 IonicContact OD2-NZ 2.64Å; D267-K532 PolarHBondContact OD2-NZ 3.13Å
533	K	84.8	Confident	88.8	Confident	200 Å²	200	70.9 Å²	70.9	87%	0.87	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-10.3	179.9	-59.6	-179.8	-178.4	178.7	0	112.8	F531	F531-K533 PolarHBondContact O-N 3.13Å; F531-K533 VanDerWaalsContact O-N 3.1Å
534	F	84.5	Confident	89.2	Confident	103 Å²	103	71.5 Å²	71.5	45%	0.452	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	126.5	-176.2	-60.3	-79.8	0	0	0	110.3	W503 S530 F531 F536	W503-F534 HydrophobicContact CH2-CE2 4.06Å; W503-F534 AromaticContact CH2-CZ 3.95Å; W503-F534 HydrophobicContact CH2-CZ 3.95Å; W503-F534 HydrophobicContact CZ2-CD1 4.31Å; W503-F534 AromaticContact CZ2-CD2 3.68Å; W503-F534 HydrophobicContact CZ2-CD2 3.68Å; W503-F534 HydrophobicContact CZ2-CE1 4.1Å; W503-F534 AromaticContact CZ2-CE2 3.45Å; W503-F534 HydrophobicContact CZ2-CE2 3.45Å; W503-F534 VanDerWaalsContact CZ2-CE2 3.45Å; W503-F534 HydrophobicContact CZ2-CG 4.11Å; W503-F534 AromaticContact CZ2-CZ 3.66Å; W503-F534 HydrophobicContact CZ2-CZ 3.66Å; S530-F534 WeakPolarHBondContact CA-O 3.28Å; F531-F534 PolarHBondContact N-O 3.24Å; F531-F534 WeakPolarHBondContact O-CB 3.23Å; F531-F534 PolarHBondContact O-N 2.99Å; F534-F536 HydrophobicContact CB-CE1 3.97Å; F534-F536 HydrophobicContact CB-CZ 3.89Å
535	R	87.8	Confident	89.5	Confident	220 Å²	220	71 Å²	71	83%	0.83	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.8	123.7	170.9	-61.8	179.3	82.1	111.8	-2.1	108
536	F	89.8	Confident	89.6	Confident	21 Å²	21	67.4 Å²	67.4	9%	0.092	32%	0.319	C	S	.	.			trans	-103.1	172.7	178.4	-48	-67.8	0	0	0	111.7	V498 E502 W503 D506 F528 T529 F531 F534 L540	V498-F536 HydrophobicContact CG1-CE2 4.05Å; V498-F536 HydrophobicContact CG1-CZ 3.8Å; E502-F536 HydrophobicContact CB-CD2 4.17Å; E502-F536 HydrophobicContact CB-CE1 4.48Å; E502-F536 HydrophobicContact CB-CE2 4.04Å; E502-F536 HydrophobicContact CB-CG 4.43Å; E502-F536 HydrophobicContact CB-CZ 4.22Å; W503-F536 AromaticContact CD1-CE1 3.14Å; W503-F536 AromaticContact CD1-CZ 3.22Å; W503-F536 HydrophobicContact CG-CE1 4.22Å; W503-F536 AromaticContact NE1-CE1 3.4Å; W503-F536 AromaticContact NE1-CZ 3.25Å; D506-F536 HydrophobicContact CB-CD1 4.08Å; F528-F536 WeakPolarHBondContact O-CD2 3.31Å; T529-F536 PolarHBondContact O-N 3.2Å; F531-F536 HydrophobicContact CB-CE2 3.64Å; F531-F536 HydrophobicContact CB-CZ 4.11Å; F534-F536 HydrophobicContact CB-CE1 3.97Å; F534-F536 HydrophobicContact CB-CZ 3.89Å; F536-L540 HydrophobicContact CB-CD1 3.13Å; F536-L540 HydrophobicContact CD2-CD1 4.4Å; F536-L540 HydrophobicContact CG-CD1 3.86Å
537	H	87.4	Confident	89.6	Confident	93 Å²	93	62.5 Å²	62.5	43%	0.431	30%	0.296	S	S	.	.			trans	-61.1	133.9	176.3	-165.6	-91	0	0	0	112.1	D506 L509 S539 L540	D506-H537 PolarHBondContact OD1-N 3.48Å; D506-H537 VanDerWaalsContact OD1-N 3.16Å; L509-H537 HydrophobicContact CD1-CB 4.04Å; H537-S539 PolarHBondContact CE1-OG 3.22Å; H537-S539 WeakPolarHBondContact ND1-CB 3.47Å; H537-S539 PolarHBondContact ND1-N 2.68Å; H537-S539 PolarHBondContact ND1-OG 2.78Å; H537-S539 PolarHBondContact O-N 3.12Å; H537-L540 WeakPolarHBondContact O-CB 3.26Å; H537-L540 PolarHBondContact O-N 2.79Å
538	P	89.8	Confident	89.6	Confident	87 Å²	87	62.3 Å²	62.3	57%	0.565	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-55.6	-29.9	-176.9	-28	34.6	0	0	0	114.6	L540 Q541	P538-L540 PolarHBondContact O-N 3.27Å; P538-Q541 PolarHBondContact O-N 3.27Å
539	S	90.4	Very high	89.6	Confident	21 Å²	21	61.6 Å²	61.6	15%	0.147	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-66.2	-6.6	179.2	70.7	0	0	0	0	114.6	L516 H537 Q541 L542	L516-S539 VanDerWaalsContact CD1-O 3.32Å; L516-S539 WeakPolarHBondContact CD1-O 3.41Å; H537-S539 PolarHBondContact CE1-OG 3.22Å; H537-S539 WeakPolarHBondContact ND1-CB 3.47Å; H537-S539 PolarHBondContact ND1-N 2.68Å; H537-S539 PolarHBondContact ND1-OG 2.78Å; H537-S539 PolarHBondContact O-N 3.12Å; S539-Q541 PolarHBondContact O-N 3.33Å; S539-L542 WeakPolarHBondContact O-CB 3.39Å; S539-L542 WeakPolarHBondContact O-CG 3.43Å; S539-L542 PolarHBondContact O-N 3.07Å
540	L	90.3	Very high	89.6	Confident	0 Å²	0	62 Å²	62	0%	0	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-65.8	-18.6	174.8	-83.9	160.2	0	0	0	113.7	E502 V505 D506 L516 F536 H537 P538 L542 T543	E502-L540 HydrophobicContact CB-CD1 4.29Å; E502-L540 HydrophobicContact CB-CD2 4.33Å; E502-L540 HydrophobicContact CG-CD1 4.41Å; E502-L540 HydrophobicContact CG-CD2 4.08Å; V505-L540 HydrophobicContact CB-CD2 3.88Å; V505-L540 HydrophobicContact CG1-CD2 3.4Å; V505-L540 HydrophobicContact CG1-CG 4.41Å; D506-L540 HydrophobicContact CB-CD1 4.34Å; L516-L540 HydrophobicContact CD1-CD2 3.97Å; L516-L540 HydrophobicContact CD1-CG 4.12Å; F536-L540 HydrophobicContact CB-CD1 3.13Å; F536-L540 HydrophobicContact CD2-CD1 4.4Å; F536-L540 HydrophobicContact CG-CD1 3.86Å; H537-L540 WeakPolarHBondContact O-CB 3.26Å; H537-L540 PolarHBondContact O-N 2.79Å; P538-L540 PolarHBondContact O-N 3.27Å; L540-L542 PolarHBondContact O-N 3.34Å; L540-L542 VanDerWaalsContact O-N 3.14Å; L540-T543 HydrophobicContact CD2-CG2 3.98Å; L540-T543 WeakPolarHBondContact O-CB 3.36Å; L540-T543 PolarHBondContact O-N 3.31Å; L540-T543 PolarHBondContact O-OG1 3.38Å
541	Q	91.3	Very high	89.5	Confident	96 Å²	96	60.9 Å²	60.9	45%	0.449	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-56.1	-27.9	169.9	-65.2	177.2	-21.2	0	0	112.4	T529 P538 S539 T543	T529-Q541 HydrophobicContact CG2-CG 3.29Å; P538-Q541 PolarHBondContact O-N 3.27Å; S539-Q541 PolarHBondContact O-N 3.33Å; Q541-T543 PolarHBondContact O-N 3.41Å
542	L	92.8	Very high	89.5	Confident	62 Å²	62	64.6 Å²	64.6	33%	0.325	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-73.2	-11.5	178.8	-56.5	178.6	0	0	0	113.5	L516 P518 S539 L540	L516-L542 HydrophobicContact CB-CD1 4.39Å; P518-L542 HydrophobicContact CG-CD2 4.16Å; S539-L542 WeakPolarHBondContact O-CB 3.39Å; S539-L542 WeakPolarHBondContact O-CG 3.43Å; S539-L542 PolarHBondContact O-N 3.07Å; L540-L542 PolarHBondContact O-N 3.34Å; L540-L542 VanDerWaalsContact O-N 3.14Å
543	T	94.1	Very high	89.6	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	28%	0.279	C	S	.	.	S	Bend	trans	-82	153.1	173.4	69.2	0	0	0	0	110.4	L516 G527 L540 Q541 F557 A559	L516-T543 HydrophobicContact CD1-CG2 3.91Å; L516-T543 HydrophobicContact CD2-CG2 4.18Å; G527-T543 WeakPolarHBondContact CA-OG1 3.34Å; G527-T543 PolarHBondContact N-O 3.35Å; L540-T543 HydrophobicContact CD2-CG2 3.98Å; L540-T543 WeakPolarHBondContact O-CB 3.36Å; L540-T543 PolarHBondContact O-N 3.31Å; L540-T543 PolarHBondContact O-OG1 3.38Å; Q541-T543 PolarHBondContact O-N 3.41Å; T543-F557 HydrophobicContact CG2-CZ 4.01Å; T543-F557 WeakPolarHBondContact OG1-CE2 3.38Å; T543-A559 HydrophobicContact CG2-CB 3.65Å
544	R	94.4	Very high	89.8	Confident	59 Å²	59	49.8 Å²	49.8	22%	0.223	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	132.1	-176.2	-65.9	-67	-174.3	-166.2	-9.6	111	T519 G524 E526 F546 V558	T519-R544 WeakPolarHBondContact OG1-CG 3.18Å; G524-R544 PolarHBondContact O-NH1 3.08Å; G524-R544 VanDerWaalsContact O-NH1 3.08Å; E526-R544 IonicContact OE1-NH1 3.08Å; R544-F546 HydrophobicContact CB-CE2 3.81Å; R544-F546 HydrophobicContact CB-CZ 3.89Å; R544-V558 PolarHBondContact N-O 3.39Å; R544-V558 PolarHBondContact O-N 3.01Å
545	R	93.9	Very high	90.2	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.015	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	134	173	-73.6	169.9	161.7	-103.1	-4.5	109.9	I496 E502 K525 Y547 F557	I496-R545 PolarHBondContact O-NH1 3.31Å; E502-R545 IonicContact OE1-CZ 2.7Å; E502-R545 IonicContact OE1-NE 3.22Å; E502-R545 PolarHBondContact OE1-NE 3.46Å; E502-R545 IonicContact OE1-NH2 3.18Å; E502-R545 PolarHBondContact OE1-NH2 3.47Å; E502-R545 IonicContact OE2-CZ 3.85Å; E502-R545 IonicContact OE2-NE 2.61Å; E502-R545 IonicContact OE2-NH2 2.66Å; E502-R545 PolarHBondContact OE2-NH2 3.18Å; K525-R545 HydrophobicContact CB-CB 4.38Å; K525-R545 PolarHBondContact N-O 3.03Å; K525-R545 PolarHBondContact O-N 3.38Å; R545-Y547 HydrophobicContact CB-CE2 3.92Å; R545-Y547 PolarHBondContact NH1-OH 3.47Å; R545-F557 HydrophobicContact CG-CD2 3.7Å; R545-F557 HydrophobicContact CG-CE2 4.12Å
546	F	93.1	Very high	90.5	Very high	1 Å²	1	34.8 Å²	34.8	0%	0.004	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	133.5	174.2	-59.2	-81.7	0	0	0	108.5	L352 L521 F523 R544 M553 G555 F556 V558	L352-F546 HydrophobicContact CD1-CD1 3.97Å; L352-F546 HydrophobicContact CD1-CD2 3.59Å; L352-F546 HydrophobicContact CD1-CE1 3.93Å; L352-F546 HydrophobicContact CD1-CE2 3.57Å; L352-F546 HydrophobicContact CD1-CG 3.8Å; L352-F546 HydrophobicContact CD1-CZ 3.75Å; L352-F546 HydrophobicContact CD2-CZ 4.42Å; L521-F546 HydrophobicContact CD1-CE2 4.05Å; L521-F546 HydrophobicContact CD1-CZ 3.75Å; F523-F546 HydrophobicContact CD2-CD1 4.19Å; F523-F546 AromaticContact CD2-CE1 3.69Å; F523-F546 HydrophobicContact CD2-CE1 3.69Å; F523-F546 AromaticContact CE2-CD1 3.89Å; F523-F546 HydrophobicContact CE2-CD1 3.89Å; F523-F546 AromaticContact CE2-CE1 3.53Å; F523-F546 HydrophobicContact CE2-CE1 3.53Å; F523-F546 HydrophobicContact CG-CE1 4.4Å; F523-F546 HydrophobicContact CZ-CE1 4.07Å; F523-F546 WeakPolarHBondContact O-CE1 3.49Å; R544-F546 HydrophobicContact CB-CE2 3.81Å; R544-F546 HydrophobicContact CB-CZ 3.89Å; F546-M553 HydrophobicContact CB-CE 4.09Å; F546-M553 HydrophobicContact CD1-CE 3.39Å; F546-M553 HydrophobicContact CE1-CE 4.12Å; F546-M553 HydrophobicContact CG-CE 3.91Å; F546-G555 WeakPolarHBondContact O-CA 3.44Å; F546-F556 HydrophobicContact CB-CB 4.28Å; F546-F556 HydrophobicContact CD2-CB 4.45Å; F546-F556 PolarHBondContact N-O 3.27Å; F546-F556 PolarHBondContact O-N 3.49Å; F546-V558 HydrophobicContact CE2-CG2 4.19Å
547	Y	91.8	Very high	90.7	Very high	5 Å²	5	33.8 Å²	33.8	2%	0.02	18%	0.176	C	C	.	.			trans	-121.5	141.2	-177.2	-67	-68.9	0	0	0	111.9	L268 F269 I496 K525 R545 H549 S550 H551	L268-Y547 HydrophobicContact CD2-CE1 4.46Å; F269-Y547 AromaticContact CE1-CD1 3.68Å; F269-Y547 HydrophobicContact CE1-CD1 3.68Å; F269-Y547 AromaticContact CE1-CE1 3.36Å; F269-Y547 HydrophobicContact CE1-CE1 3.36Å; F269-Y547 HydrophobicContact CE1-CE2 4.28Å; F269-Y547 HydrophobicContact CE1-CG 4.22Å; F269-Y547 AromaticContact CE1-CZ 3.66Å; F269-Y547 AromaticContact CZ-CD1 3.5Å; F269-Y547 HydrophobicContact CZ-CD1 3.5Å; F269-Y547 AromaticContact CZ-CE1 3.27Å; F269-Y547 HydrophobicContact CZ-CE1 3.27Å; F269-Y547 HydrophobicContact CZ-CG 4.42Å; I496-Y547 HydrophobicContact CB-CE1 4.39Å; I496-Y547 HydrophobicContact CG2-CD1 4.19Å; I496-Y547 HydrophobicContact CG2-CE1 4.16Å; K525-Y547 HydrophobicContact CB-CD2 4.38Å; K525-Y547 HydrophobicContact CB-CE2 4.12Å; K525-Y547 HydrophobicContact CD-CD2 3.76Å; K525-Y547 HydrophobicContact CD-CE2 3.76Å; K525-Y547 HydrophobicContact CG-CD2 4.17Å; K525-Y547 HydrophobicContact CG-CE2 4.27Å; R545-Y547 HydrophobicContact CB-CE2 3.92Å; R545-Y547 PolarHBondContact NH1-OH 3.47Å; Y547-H549 VanDerWaalsContact CB-CE1 3.46Å; Y547-H549 WeakPolarHBondContact CB-CE1 3.39Å; Y547-H549 AromaticContact CG-CE1 3.97Å; Y547-H549 PolarHBondContact O-N 3.14Å; Y547-S550 PolarHBondContact O-N 2.83Å; Y547-H551 PolarHBondContact N-ND1 3.29Å; Y547-H551 PolarHBondContact O-N 3.49Å; Y547-H551 VanDerWaalsContact O-N 3.09Å
548	P	89.9	Confident	91.2	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.006	16%	0.155	C	C	.	.	H	α-helix	trans	-42.5	-55.1	173.3	-36.8	41.9	0	0	0	116	F277 A280 R285 N552 M553	F277-P548 HydrophobicContact CD2-CB 4.33Å; F277-P548 HydrophobicContact CD2-CG 4.14Å; F277-P548 HydrophobicContact CE2-CB 4.32Å; F277-P548 HydrophobicContact CE2-CG 3.66Å; A280-P548 HydrophobicContact CB-CB 4Å; R285-P548 PolarHBondContact NH1-O 3.45Å; R285-P548 VanDerWaalsContact NH2-C 3.28Å; R285-P548 VanDerWaalsContact NH2-CA 3.28Å; R285-P548 PolarHBondContact NH2-O 3.08Å; P548-N552 WeakPolarHBondContact O-CA 3.48Å; P548-N552 PolarHBondContact O-N 2.94Å; P548-M553 WeakPolarHBondContact CA-O 3.48Å
549	H	89.5	Confident	91.5	Very high	43 Å²	43	25.2 Å²	25.2	20%	0.199	13%	0.128	C	C	.	.	H	α-helix	trans	-77.5	-38.4	-173.6	59.7	-61.4	0	0	0	112.6	E273 D276 F277 A280 Y547	E273-H549 VanDerWaalsContact CD-NE2 3.29Å; E273-H549 WeakPolarHBondContact CG-NE2 3.46Å; E273-H549 IonicContact OE1-CD2 2.85Å; E273-H549 IonicContact OE1-CE1 3.53Å; E273-H549 PolarHBondContact OE1-CE1 2.77Å; E273-H549 VanDerWaalsContact OE1-CE1 3.22Å; E273-H549 IonicContact OE1-NE2 2.62Å; E273-H549 PolarHBondContact OE1-NE2 3.35Å; D276-H549 HydrophobicContact CB-CB 4.03Å; F277-H549 AromaticContact CD2-ND1 3.73Å; A280-H549 HydrophobicContact CB-CB 3.79Å; Y547-H549 VanDerWaalsContact CB-CE1 3.46Å; Y547-H549 WeakPolarHBondContact CB-CE1 3.39Å; Y547-H549 AromaticContact CG-CE1 3.97Å; Y547-H549 PolarHBondContact O-N 3.14Å
550	S	87.9	Confident	91.7	Very high	55 Å²	55	25.3 Å²	25.3	39%	0.385	13%	0.126	S	C	.	.	H	α-helix	trans	-78.7	-33.3	-176.5	-44	0	0	0	0	113.9	Y547	Y547-S550 PolarHBondContact O-N 2.83Å
551	H	84.9	Confident	91.9	Very high	51 Å²	51	25.3 Å²	25.3	24%	0.236	13%	0.126	C	C	.	.	H	α-helix	trans	-119.3	-0.4	-169.9	-56	91	0	0	0	113.9	F523 Y547 M553	F523-H551 AromaticContact CD2-CD2 3.77Å; Y547-H551 PolarHBondContact N-ND1 3.29Å; Y547-H551 PolarHBondContact O-N 3.49Å; Y547-H551 VanDerWaalsContact O-N 3.09Å; H551-M553 HydrophobicContact CB-CE 3.97Å; H551-M553 WeakPolarHBondContact O-CG 3.41Å; H551-M553 PolarHBondContact O-N 3.25Å
552	N	86	Confident	92	Very high	104 Å²	104	24.4 Å²	24.4	56%	0.556	12%	0.121	S	C	*	.	S	Bend	trans	52.3	32.9	-172.2	-158.7	25.6	0	0	0	114	R285 P548	R285-N552 PolarHBondContact NH1-O 3.04Å; R285-N552 PolarHBondContact NH1-OD1 3.14Å; P548-N552 WeakPolarHBondContact O-CA 3.48Å; P548-N552 PolarHBondContact O-N 2.94Å
553	M	86.9	Confident	91.9	Very high	11 Å²	11	22.3 Å²	22.3	5%	0.054	11%	0.109	C	C	.	.	S	Bend	trans	-126.5	162.4	178	-65	-169.4	-55.4	0	0	110.8	W318 A348 L352 F523 F546 P548 H551	W318-M553 HydrophobicContact CH2-SD 4.05Å; W318-M553 HydrophobicContact CZ2-SD 3.74Å; A348-M553 HydrophobicContact CB-CG 4.06Å; A348-M553 HydrophobicContact CB-SD 3.85Å; L352-M553 HydrophobicContact CD1-CE 3.92Å; L352-M553 HydrophobicContact CD1-SD 4.47Å; F523-M553 HydrophobicContact CE2-CE 3.49Å; F523-M553 VanDerWaalsContact CE2-CE 3.49Å; F523-M553 HydrophobicContact CE2-SD 4.4Å; F523-M553 HydrophobicContact CZ-CE 4.04Å; F546-M553 HydrophobicContact CB-CE 4.09Å; F546-M553 HydrophobicContact CD1-CE 3.39Å; F546-M553 HydrophobicContact CE1-CE 4.12Å; F546-M553 HydrophobicContact CG-CE 3.91Å; P548-M553 WeakPolarHBondContact CA-O 3.48Å; H551-M553 HydrophobicContact CB-CE 3.97Å; H551-M553 WeakPolarHBondContact O-CG 3.41Å; H551-M553 PolarHBondContact O-N 3.25Å
554	D	90	Very high	91.5	Very high	9 Å²	9	28.2 Å²	28.2	5%	0.048	14%	0.135	C	C	.	.			trans	-58.1	148	172.6	-51.6	-45.5	0	0	0	111.4	S349 V445 K448 F556	S349-D554 PolarHBondContact OG-OD2 2.85Å; V445-D554 HydrophobicContact CG1-CB 4.01Å; K448-D554 WeakPolarHBondContact CE-OD1 3.44Å; K448-D554 WeakPolarHBondContact CE-OD2 3.5Å; K448-D554 IonicContact NZ-OD1 3.58Å; K448-D554 IonicContact NZ-OD2 3.24Å; K448-D554 PolarHBondContact NZ-OD2 3.09Å; D554-F556 PolarHBondContact O-N 3.21Å
555	G	91.6	Very high	90.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.137	C	C	.	.			trans	-58.7	122.3	172.9	0	0	0	0	0	110.9	G444 F546	G444-G555 WeakPolarHBondContact CA-O 3.43Å; G444-G555 WeakPolarHBondContact O-CA 3.43Å; G444-G555 PolarHBondContact O-N 3.22Å; F546-G555 WeakPolarHBondContact O-CA 3.44Å
556	F	93.9	Very high	90.1	Very high	7 Å²	7	30.8 Å²	30.8	3%	0.031	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	148.9	-169.8	-156.1	-94.2	0	0	0	111.9	P353 C492 T493 F546 D554 V558	P353-F556 HydrophobicContact CG-CE1 3.41Å; P353-F556 VanDerWaalsContact CG-CE1 3.41Å; P353-F556 HydrophobicContact CG-CZ 3.57Å; C492-F556 HydrophobicContact CB-CE1 3.62Å; C492-F556 HydrophobicContact CB-CZ 3.63Å; T493-F556 VanDerWaalsContact O-CD2 3.22Å; T493-F556 WeakPolarHBondContact O-CD2 3.17Å; T493-F556 WeakPolarHBondContact O-CE2 3.34Å; T493-F556 WeakPolarHBondContact O-CG 3.34Å; F546-F556 HydrophobicContact CB-CB 4.28Å; F546-F556 HydrophobicContact CD2-CB 4.45Å; F546-F556 PolarHBondContact N-O 3.27Å; F546-F556 PolarHBondContact O-N 3.49Å; D554-F556 PolarHBondContact O-N 3.21Å; F556-V558 HydrophobicContact CD1-CG2 3.8Å; F556-V558 HydrophobicContact CE1-CG2 3.7Å
557	F	95.8	Very high	89.3	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	138.5	179.9	-179.3	-100.5	0	0	0	111.3	Y491 C492 T493 N501 V505 T543 R545 A559	Y491-F557 HydrophobicContact CD1-CD1 4.31Å; Y491-F557 HydrophobicContact CD1-CE1 4.21Å; Y491-F557 HydrophobicContact CE1-CD1 4.23Å; Y491-F557 HydrophobicContact CE1-CE1 4.29Å; C492-F557 WeakPolarHBondContact CA-O 3.45Å; C492-F557 WeakPolarHBondContact CB-O 3.33Å; T493-F557 PolarHBondContact N-O 3.16Å; T493-F557 PolarHBondContact O-N 3.2Å; N501-F557 HydrophobicContact CB-CB 4.47Å; N501-F557 HydrophobicContact CB-CD1 3.78Å; N501-F557 HydrophobicContact CB-CD2 4.01Å; N501-F557 HydrophobicContact CB-CE1 3.91Å; N501-F557 HydrophobicContact CB-CE2 4.12Å; N501-F557 HydrophobicContact CB-CG 3.83Å; N501-F557 HydrophobicContact CB-CZ 4.07Å; N501-F557 WeakPolarHBondContact ND2-CB 3.46Å; V505-F557 HydrophobicContact CG2-CE1 3.96Å; V505-F557 HydrophobicContact CG2-CZ 4.37Å; T543-F557 HydrophobicContact CG2-CZ 4.01Å; T543-F557 WeakPolarHBondContact OG1-CE2 3.38Å; R545-F557 HydrophobicContact CG-CD2 3.7Å; R545-F557 HydrophobicContact CG-CE2 4.12Å; F557-A559 HydrophobicContact CE1-CB 3.91Å; F557-A559 HydrophobicContact CZ-CB 4.33Å
558	V	96.1	Very high	88.3	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	126.1	179.4	-175.2	0	0	0	0	110.4	L352 P353 A356 V490 T519 L521 R544 F546 F556	L352-V558 HydrophobicContact CB-CG2 4.17Å; P353-V558 HydrophobicContact CG-CG2 4.41Å; A356-V558 HydrophobicContact CB-CG1 3.94Å; V490-V558 HydrophobicContact CG1-CG1 3.97Å; T519-V558 HydrophobicContact CG2-CB 4.49Å; T519-V558 HydrophobicContact CG2-CG1 3.96Å; L521-V558 HydrophobicContact CD1-CG2 4.48Å; R544-V558 PolarHBondContact N-O 3.39Å; R544-V558 PolarHBondContact O-N 3.01Å; F546-V558 HydrophobicContact CE2-CG2 4.19Å; F556-V558 HydrophobicContact CD1-CG2 3.8Å; F556-V558 HydrophobicContact CE1-CG2 3.7Å
559	A	96.1	Very high	87.2	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	129.7	171.3	0	0	0	0	0	110.4	V490 Y491 V505 L516 T543 F557 F561	V490-A559 WeakPolarHBondContact CA-O 3.35Å; Y491-A559 HydrophobicContact CD1-CB 4.4Å; Y491-A559 PolarHBondContact N-O 3.31Å; Y491-A559 PolarHBondContact O-N 3.04Å; V505-A559 HydrophobicContact CG2-CB 3.9Å; L516-A559 HydrophobicContact CD2-CB 4.24Å; T543-A559 HydrophobicContact CG2-CB 3.65Å; F557-A559 HydrophobicContact CE1-CB 3.91Å; F557-A559 HydrophobicContact CZ-CB 4.33Å; A559-F561 HydrophobicContact CB-CE2 4.01Å; A559-F561 HydrophobicContact CB-CZ 4.44Å
560	K	95.7	Very high	85.2	Confident	23 Å²	23	45.3 Å²	45.3	10%	0.1	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	126.6	177.8	-177.2	178.4	-176.9	167.6	0	110	A356 L489 V490 L516 V517 T519	A356-K560 WeakPolarHBondContact O-CD 3.4Å; A356-K560 VanDerWaalsContact O-CE 3.25Å; A356-K560 WeakPolarHBondContact O-CE 3.22Å; A356-K560 PolarHBondContact O-NZ 3.05Å; L489-K560 CarbonylContact O-C 3.57Å; L489-K560 WeakPolarHBondContact O-CA 3.38Å; V490-K560 HydrophobicContact CG2-CB 4.21Å; V490-K560 HydrophobicContact CG2-CG 4.08Å; L516-K560 WeakPolarHBondContact CA-O 3.45Å; L516-K560 WeakPolarHBondContact CD2-O 3.44Å; V517-K560 PolarHBondContact N-O 3.41Å; T519-K560 HydrophobicContact CG2-CB 4.11Å
561	F	94.9	Very high	83.3	Confident	1 Å²	1	46.1 Å²	46.1	0%	0.004	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	149	178.4	-60.6	-92.8	0	0	0	110.7	L472 Y488 L489 V505 L509 V514 K515 L516 A559	L472-F561 HydrophobicContact CD1-CE2 4.22Å; L472-F561 HydrophobicContact CD2-CE2 4.46Å; L472-F561 HydrophobicContact CD2-CZ 4.24Å; Y488-F561 WeakPolarHBondContact CA-O 3.43Å; L489-F561 HydrophobicContact CB-CB 4.21Å; L489-F561 HydrophobicContact CD2-CD2 4.19Å; L489-F561 HydrophobicContact CG-CD2 4.27Å; L489-F561 PolarHBondContact N-O 3.38Å; L489-F561 PolarHBondContact O-N 3.3Å; V505-F561 HydrophobicContact CB-CZ 4.13Å; V505-F561 HydrophobicContact CG1-CE1 3.9Å; V505-F561 HydrophobicContact CG1-CZ 3.59Å; V505-F561 HydrophobicContact CG2-CZ 3.97Å; L509-F561 HydrophobicContact CD2-CD1 4.41Å; L509-F561 HydrophobicContact CD2-CE1 4.17Å; L509-F561 HydrophobicContact CG-CE1 4.27Å; V514-F561 HydrophobicContact CB-CD1 4.24Å; V514-F561 HydrophobicContact CG2-CD1 4.03Å; V514-F561 HydrophobicContact CG2-CE1 4.47Å; K515-F561 CarbonylContact O-C 3.2Å; K515-F561 WeakPolarHBondContact O-CA 3.38Å; L516-F561 HydrophobicContact CD2-CD1 3.62Å; L516-F561 HydrophobicContact CD2-CD2 4.36Å; L516-F561 HydrophobicContact CD2-CE1 3.49Å; L516-F561 VanDerWaalsContact CD2-CE1 3.49Å; L516-F561 HydrophobicContact CD2-CE2 4.24Å; L516-F561 HydrophobicContact CD2-CG 4.09Å; L516-F561 HydrophobicContact CD2-CZ 3.84Å; L516-F561 HydrophobicContact CG-CD1 4.29Å; L516-F561 HydrophobicContact CG-CE1 4.15Å; A559-F561 HydrophobicContact CB-CE2 4.01Å; A559-F561 HydrophobicContact CB-CZ 4.44Å
562	K	92.8	Very high	80.7	Confident	76 Å²	76	49.2 Å²	49.2	33%	0.33	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	128.7	164.4	-175.1	173.8	-175	170.9	0	109.2	G487 Y488 V514 K515 V517 F564	G487-K562 WeakPolarHBondContact O-CA 3.37Å; Y488-K562 HydrophobicContact CD1-CB 4.1Å; Y488-K562 HydrophobicContact CD1-CG 4.35Å; Y488-K562 HydrophobicContact CE1-CB 3.93Å; Y488-K562 HydrophobicContact CE1-CD 3.83Å; Y488-K562 HydrophobicContact CE1-CG 3.95Å; V514-K562 WeakPolarHBondContact CA-O 3.38Å; K515-K562 PolarHBondContact N-O 3.2Å; K515-K562 PolarHBondContact O-N 3.06Å; V517-K562 HydrophobicContact CG2-CB 3.51Å; V517-K562 HydrophobicContact CG2-CD 4.39Å; K562-F564 HydrophobicContact CB-CE2 4.48Å; K562-F564 HydrophobicContact CD-CZ 4.45Å; K562-F564 WeakPolarHBondContact O-CE2 3.46Å
563	K	91.1	Very high	78.5	Confident	19 Å²	19	51.2 Å²	51.2	8%	0.083	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	131.9	177.1	-167.8	-178.7	176.6	175	0	109.8	I476 V479 A481 G487 V514 S565 N566	I476-K563 HydrophobicContact CG2-CD 4.37Å; I476-K563 WeakPolarHBondContact O-CD 3.33Å; I476-K563 WeakPolarHBondContact O-CE 3.02Å; I476-K563 PolarHBondContact O-NZ 3.23Å; V479-K563 HydrophobicContact CB-CD 4.08Å; V479-K563 HydrophobicContact CG1-CB 4.25Å; V479-K563 HydrophobicContact CG1-CD 4.18Å; V479-K563 WeakPolarHBondContact O-CD 3.33Å; V479-K563 PolarHBondContact O-NZ 3.24Å; A481-K563 HydrophobicContact CB-CB 4.33Å; A481-K563 HydrophobicContact CB-CD 4.12Å; A481-K563 HydrophobicContact CB-CG 3.96Å; G487-K563 PolarHBondContact O-N 3.29Å; V514-K563 HydrophobicContact CG1-CB 4.27Å; V514-K563 HydrophobicContact CG1-CG 4.26Å; K563-S565 VanDerWaalsContact CE-O 3.26Å; K563-S565 WeakPolarHBondContact CE-O 3.15Å; K563-N566 VanDerWaalsContact CE-OD1 3.25Å; K563-N566 WeakPolarHBondContact CE-OD1 3.48Å; K563-N566 PolarHBondContact NZ-OD1 3.27Å
564	F	84.8	Confident	75.8	Confident	124 Å²	124	54 Å²	54	54%	0.544	34%	0.335	S	S	.	.			trans	-100.1	-35.8	-179.9	-68.7	-91.3	0	0	0	112.9	N513 K515 K562	N513-F564 PolarHBondContact O-N 2.98Å; K515-F564 HydrophobicContact CB-CD2 4.28Å; K515-F564 HydrophobicContact CB-CE2 3.29Å; K515-F564 HydrophobicContact CB-CZ 3.9Å; K515-F564 HydrophobicContact CD-CE2 4.29Å; K515-F564 HydrophobicContact CD-CZ 4.06Å; K515-F564 HydrophobicContact CG-CE2 4.42Å; K562-F564 HydrophobicContact CB-CE2 4.48Å; K562-F564 HydrophobicContact CD-CZ 4.45Å; K562-F564 WeakPolarHBondContact O-CE2 3.46Å
565	S	81.6	Confident	72.9	Confident	36 Å²	36	62.8 Å²	62.8	25%	0.252	37%	0.372	S	S	.	.			trans	-139.3	143.7	-176.8	69.8	0	0	0	0	111.4	N513 K563 V567	N513-S565 VanDerWaalsContact CB-OG 3.24Å; N513-S565 WeakPolarHBondContact CB-OG 3.38Å; N513-S565 PolarHBondContact ND2-OG 2.96Å; K563-S565 VanDerWaalsContact CE-O 3.26Å; K563-S565 WeakPolarHBondContact CE-O 3.15Å; S565-V567 VanDerWaalsContact C-N 3.25Å; S565-V567 PolarHBondContact O-N 3.37Å
566	N	77.2	Confident	70	Confident	80 Å²	80	68.9 Å²	68.9	43%	0.428	41%	0.409	S	S	.	.	S	Bend	trans	-79.5	-6.6	172.7	-68.6	-26.3	0	0	0	113.3	N480 A481 K563 I568	N480-N566 PolarHBondContact OD1-ND2 3.39Å; A481-N566 VanDerWaalsContact CB-OD1 3.29Å; A481-N566 WeakPolarHBondContact CB-OD1 3.45Å; A481-N566 PolarHBondContact N-OD1 3.3Å; K563-N566 VanDerWaalsContact CE-OD1 3.25Å; K563-N566 WeakPolarHBondContact CE-OD1 3.48Å; K563-N566 PolarHBondContact NZ-OD1 3.27Å; N566-I568 PolarHBondContact O-N 3.45Å
567	V	76.1	Confident	67	Low	104 Å²	104	75.6 Å²	75.6	63%	0.63	44%	0.444	S	S	*	.			trans	-68.3	118.8	175.2	-176.4	0	0	0	0	108.8	S565 P569	S565-V567 VanDerWaalsContact C-N 3.25Å; S565-V567 PolarHBondContact O-N 3.37Å; V567-P569 WeakPolarHBondContact O-CD 3.32Å
568	I	72.2	Confident	63.9	Low	88 Å²	88	81.4 Å²	81.4	45%	0.451	48%	0.479	S	S	.	.			trans	-78.3	119.3	170.2	-60.2	169.8	0	0	0	106.4	N566 S570	N566-I568 PolarHBondContact O-N 3.45Å; I568-S570 PolarHBondContact O-N 3.17Å
569	P	66.9	Low	60.6	Low	54 Å²	54	84.9 Å²	84.9	35%	0.351	52%	0.515	S	S	.	.			trans	-61.2	104.7	170.7	-17.5	30.7	0	0	0	107.7	N513 V567 A571	N513-P569 WeakPolarHBondContact OD1-CG 3.47Å; V567-P569 WeakPolarHBondContact O-CD 3.32Å; P569-A571 PolarHBondContact O-N 3.3Å
570	S	47.8	Very low	57.3	Low	110 Å²	110	92.7 Å²	92.7	77%	0.769	56%	0.557	S	S	*	*			trans	-66.7	108.5	169.5	58.1	0	0	0	0	106.3	I568 S572	I568-S570 PolarHBondContact O-N 3.17Å; S570-S572 PolarHBondContact O-N 3.26Å
571	A	46	Very low	54.1	Low	71 Å²	71	99.7 Å²	99.7	59%	0.587	59%	0.59	S	S	*	*			trans	-58.6	105.9	167.1	0	0	0	0	0	107.3	P569 V573	P569-A571 PolarHBondContact O-N 3.3Å; A571-V573 VanDerWaalsContact C-N 3.31Å; A571-V573 PolarHBondContact O-N 3.24Å
572	S	32.3	Very low	50.8	Low	116 Å²	116	105.8 Å²	105.8	81%	0.811	63%	0.627	S	S	*	*			trans	-62.4	97.1	165.5	50.6	0	0	0	0	107.4	S570 G574	S570-S572 PolarHBondContact O-N 3.26Å; S572-G574 PolarHBondContact O-N 3.14Å
573	V	38.3	Very low	47.8	Very low	146 Å²	146	107.9 Å²	107.9	89%	0.885	65%	0.647	S	S	*	*			trans	-69.8	113.8	168.3	176.4	0	0	0	0	107.2	A571	A571-V573 VanDerWaalsContact C-N 3.31Å; A571-V573 PolarHBondContact O-N 3.24Å
574	G	31.4	Very low	44.7	Very low	70 Å²	70	116 Å²	116	72%	0.722	69%	0.685	S	S	*	*			trans	101	76.3	157.4	0	0	0	0	0	117.4	S572	S572-G574 PolarHBondContact O-N 3.14Å
575	K	27.6	Very low	42	Very low	194 Å²	194	114.8 Å²	114.8	84%	0.843	70%	0.698	S	S	*	*			trans	-136.5	98.1	133.4	-147.6	174.9	-175.1	-177.3	0	108.3	I577	K575-I577 PolarHBondContact O-N 3.3Å
576	V	30.7	Very low	39.4	Very low	127 Å²	127	118.8 Å²	118.8	77%	0.77	73%	0.726	S	S	*	*			trans	-57.1	117.3	165.6	175.4	0	0	0	0	106.7	T578	V576-T578 HydrophobicContact CG1-CG2 4Å
577	I	32	Very low	37.1	Very low	149 Å²	149	124.1 Å²	124.1	76%	0.764	75%	0.748	S	S	*	*			trans	-105.2	96.7	160	-61.2	177.8	0	0	0	104.6	K575	K575-I577 PolarHBondContact O-N 3.3Å
578	T	29.8	Very low	34.8	Very low	121 Å²	121	124.2 Å²	124.2	74%	0.742	76%	0.76	S	S	*	*			trans	-61.3	131.2	155.5	40.6	0	0	0	0	107.6	V576	V576-T578 HydrophobicContact CG1-CG2 4Å
579	G	28.3	Very low	32.5	Very low	73 Å²	73	126.4 Å²	126.4	75%	0.753	78%	0.778	S	S	*	*			trans	-77.1	-177	-162.2	0	0	0	0	0	116.3
580	D	25.4	Very low	30.6	Very low	164 Å²	164	132.7 Å²	132.7	88%	0.877	80%	0.802	S	S	*	*				-150.2	148.7	123.7	-143.7	-9	0	0	0	109.6
581	E	29.2	Very low	29.7	Very low	170 Å²	170	131.5 Å²	131.5	79%	0.794	80%	0.799	S	S	*	*			trans	-70.3	146.6	175.2	-64.9	-178.2	146.5	0	0	110.6
582	T	26.4	Very low	28.7	Very low	129 Å²	129	134.5 Å²	134.5	79%	0.791	81%	0.81	S	S	*	*			trans	-178.2	113.9	131.8	22.1	0	0	0	0	110.6
583	T	28.3	Very low	28.4	Very low	120 Å²	120	136.3 Å²	136.3	74%	0.736	81%	0.811	S	S	*	*			trans	24.5	120.4	133.6	56.5	0	0	0	0	118.8
584	E	26.5	Very low	27.7	Very low	190 Å²	190	134.1 Å²	134.1	89%	0.888	80%	0.802	S	S	*	*				177.8	141.7	97.8	-93.1	-175.5	172	0	0	111.2
585	A	29.2	Very low	28.4	Very low	99 Å²	99	136 Å²	136	82%	0.818	80%	0.801	S	S	*	*			trans	-74.9	147.2	173	0	0	0	0	0	110.8
586	S	26.8	Very low	28.3	Very low	119 Å²	119	135.1 Å²	135.1	83%	0.832	80%	0.798	S	S	*	*			trans	-155.7	121	141.8	40	0	0	0	0	110.4
587	E	27.5	Very low	28.1	Very low	193 Å²	193	137 Å²	137	90%	0.902	80%	0.798	S	S	*	*			trans	-58.1	146.5	162.1	-66.2	166.4	137.7	0	0	110
588	A	27.4	Very low	27.9	Very low	105 Å²	105	139.3 Å²	139.3	87%	0.868	80%	0.803	S	S	*	*			trans	-133.7	98.1	163.2	0	0	0	0	0	108.7
589	T	25.4	Very low	28	Very low	135 Å²	135	138.8 Å²	138.8	83%	0.828	80%	0.801	S	S	*	*			trans	-77.6	157.5	159.4	27.4	0	0	0	0	111
590	E	26.7	Very low	27.8	Very low	186 Å²	186	139.9 Å²	139.9	87%	0.869	80%	0.797	S	S	*	*			trans	-38.2	147.1	-178	-61.2	168.3	142.1	0	0	117.7
591	A	28	Very low	27.7	Very low	85 Å²	85	141 Å²	141	70%	0.702	79%	0.794	S	S	*	*				173.3	131	107.8	0	0	0	0	0	112.7
592	T	24.8	Very low	27.4	Very low	134 Å²	134	137.5 Å²	137.5	82%	0.822	79%	0.788	S	S	*	*			trans	19	135.1	137.6	59.6	0	0	0	0	118.4
593	D	26.6	Very low	27.4	Very low	154 Å²	154	140.8 Å²	140.8	82%	0.824	79%	0.792	S	S	*	*				-174.6	157.5	61.6	-169	9.2	0	0	0	109.4
594	S	24.4	Very low	27.2	Very low	99 Å²	99	139.3 Å²	139.3	69%	0.692	79%	0.792	S	S	*	*			trans	-83.3	-161.9	-179.7	-45.8	0	0	0	0	110.3
595	P	45.4	Very low	27.2	Very low	110 Å²	110	134.8 Å²	134.8	71%	0.714	79%	0.787	S	S	*	*			cis	-129.2	170.2	-36.7	25.7	-5.9	0	0	0	111.4
596	K	25.7	Very low	27	Very low	176 Å²	176	138 Å²	138	77%	0.765	79%	0.79	S	S	*	*				173.4	130.5	124.7	-98.8	175.6	177.5	-180	0	114.9
597	E	25.7	Very low	27	Very low	165 Å²	165	140.5 Å²	140.5	77%	0.771	79%	0.789	S	S	*	*			trans	59.9	105.9	136.4	-68.8	174.5	159.9	0	0	120.6
598	K	28.7	Very low	27	Very low	199 Å²	199	138.2 Å²	138.2	87%	0.865	79%	0.788	S	S	*	*			trans	-57.5	152	142.3	-65.3	176.6	175.3	172.9	0	109.1
599	P	31	Very low	26.9	Very low	110 Å²	110	139.6 Å²	139.6	71%	0.714	79%	0.786	S	S	*	*				-147.8	131.6	89.9	31.7	-11.3	0	0	0	112.8
600	S	24.1	Very low	27.4	Very low	95 Å²	95	138.9 Å²	138.9	66%	0.664	78%	0.784	S	S	*	*				83.2	143.4	88.5	92.4	0	0	0	0	115.6
601	K	24.5	Very low	27.4	Very low	188 Å²	188	134.2 Å²	134.2	82%	0.817	78%	0.777	S	S	*	*			trans	92.4	105.4	163.4	-62.5	175.3	-177.3	176.6	0	115.2
602	S	23.3	Very low	27.3	Very low	96 Å²	96	139.7 Å²	139.7	67%	0.671	79%	0.785	S	S	*	*			cis	90.8	141.8	47.3	77.4	0	0	0	0	113.9
603	K	25.3	Very low	27.3	Very low	199 Å²	199	139.1 Å²	139.1	87%	0.865	78%	0.781	S	S	*	*			trans	83	143.5	162.7	-59.2	-178.6	179.1	-173.8	0	116.1
604	A	24.9	Very low	27.1	Very low	89 Å²	89	139.2 Å²	139.2	74%	0.736	78%	0.782	S	S	*	*			cis	-171.3	148	-13.9	0	0	0	0	0	107.3
605	A	25.6	Very low	27.1	Very low	94 Å²	94	138.2 Å²	138.2	78%	0.777	78%	0.78	S	S	*	*			trans	30.3	129.3	138	0	0	0	0	0	120.9
606	N	25.8	Very low	26.2	Very low	166 Å²	166	139.5 Å²	139.5	89%	0.888	78%	0.779	S	S	*	*				-154.1	135.6	115	-128.5	-5.2	0	0	0	112.6
607	E	27	Very low	26.1	Very low	173 Å²	173	138.7 Å²	138.7	81%	0.808	78%	0.776	S	S	*	*			trans	-73.7	147.6	171.5	-67.9	172.5	129	0	0	111.2
608	T	26.8	Very low	26.1	Very low	145 Å²	145	140.4 Å²	140.4	89%	0.89	78%	0.784	S	S	*	*				179.6	119.8	124.4	22.3	0	0	0	0	111.1
609	T	25.7	Very low	26	Very low	133 Å²	133	137.1 Å²	137.1	82%	0.816	78%	0.776	S	S	*	*			trans	-78.8	167.8	161.1	37.8	0	0	0	0	109.3
610	P	36.3	Very low	25.8	Very low	121 Å²	121	136 Å²	136	79%	0.786	78%	0.776	S	S	*	*			cis	-149.5	-174.5	33.5	39.2	-15.6	0	0	0	117.8
611	A	26.1	Very low	25.9	Very low	88 Å²	88	140.9 Å²	140.9	73%	0.727	79%	0.785	S	S	*	*			trans	98	101.9	152.1	0	0	0	0	0	119.5
612	K	24.9	Very low	25.9	Very low	200 Å²	200	137 Å²	137	87%	0.87	78%	0.778	S	S	*	*				57.9	141.5	122.3	-79.8	-177.4	177.2	177.6	0	121.5
613	T	24.7	Very low	26	Very low	121 Å²	121	140.2 Å²	140.2	74%	0.742	79%	0.787	S	S	*	*			trans	80.2	100.9	159	51.2	0	0	0	0	118.4
614	D	23	Very low	26.1	Very low	157 Å²	157	134.2 Å²	134.2	84%	0.84	78%	0.782	S	S	*	*				53.4	131.7	116.8	-79.1	-44.9	0	0	0	120.9
615	A	24.8	Very low	26.2	Very low	78 Å²	78	134.8 Å²	134.8	65%	0.645	79%	0.786	S	S	*	*			trans	85.7	97.1	140.2	0	0	0	0	0	119.1
616	L	25.8	Very low	26.3	Very low	136 Å²	136	135.4 Å²	135.4	71%	0.712	79%	0.791	S	S	*	*				74.5	116.3	111.1	-70.3	152.3	0	0	0	119.4
617	K	25	Very low	26.4	Very low	160 Å²	160	131.8 Å²	131.8	70%	0.696	79%	0.785	S	S	*	*				78.6	111.7	127.1	-73.6	175.5	178.2	170.4	0	118.7
618	Q	23.8	Very low	26.4	Very low	201 Å²	201	133.5 Å²	133.5	94%	0.939	79%	0.79	S	S	*	*			trans	-82.3	114.4	134.8	-72.8	-179.1	-6.1	0	0	108.7
619	N	26.8	Very low	26.3	Very low	130 Å²	130	136.2 Å²	136.2	70%	0.695	79%	0.789	S	S	*	*			trans	-96.1	124.3	160.9	-101.5	-1.6	0	0	0	106.1
620	A	28.5	Very low	26.6	Very low	86 Å²	86	135.5 Å²	135.5	71%	0.711	79%	0.787	S	S	*	*				93	130.5	81	0	0	0	0	0	112.9
621	K	24.8	Very low	26	Very low	197 Å²	197	134 Å²	134	86%	0.857	79%	0.785	S	S	*	*			trans	-146.2	128.5	153	-85.9	-169.1	-177.2	178	0	103.7
622	T	25.3	Very low	25.7	Very low	108 Å²	108	136.9 Å²	136.9	66%	0.663	79%	0.788	S	S	*	*			cis	-171.6	134.6	26.6	30.8	0	0	0	0	108.8
623	N	26.1	Very low	25.6	Very low	162 Å²	162	133.4 Å²	133.4	87%	0.866	78%	0.778	S	S	*	*				167.9	127.7	111.6	-89.5	-22.4	0	0	0	112.9
624	G	25.8	Very low	25.4	Very low	73 Å²	73	136.3 Å²	136.3	75%	0.753	78%	0.78	S	S	*	*			trans	82.4	82.7	155.5	0	0	0	0	0	117.8
625	A	27.3	Very low	25.4	Very low	101 Å²	101	134.3 Å²	134.3	84%	0.835	77%	0.773	S	S	*	*				58.6	85.8	95.7	0	0	0	0	0	114.2
626	A	27.3	Very low	25.4	Very low	107 Å²	107	140.2 Å²	140.2	88%	0.884	79%	0.785	S	S	*	*				67.1	131.2	87.7	0	0	0	0	0	113.8
627	A	28.6	Very low	25.4	Very low	91 Å²	91	136.7 Å²	136.7	75%	0.752	78%	0.781	S	S	*	*			cis	-165.1	147.5	3.3	0	0	0	0	0	106.2
628	K	26.6	Very low	25.6	Very low	208 Å²	208	138 Å²	138	90%	0.904	79%	0.789	S	S	*	*				172	144.9	86.1	-89.6	179.9	176.2	174.8	0	108.5
629	K	25.1	Very low	25.8	Very low	202 Å²	202	137.3 Å²	137.3	88%	0.878	79%	0.786	S	S	*	*			trans	-70.4	172.1	164.8	-68.6	179.9	176.1	179.1	0	110.5
630	P	32.5	Very low	25.8	Very low	118 Å²	118	134.6 Å²	134.6	77%	0.766	79%	0.789	S	S	*	*			cis	-146	-172.6	20.8	39.8	-16.1	0	0	0	116.8
631	A	22.9	Very low	25.8	Very low	91 Å²	91	135.4 Å²	135.4	75%	0.752	79%	0.79	S	S	*	*			trans	26	132	146.9	0	0	0	0	0	122.9
632	N	20.5	Very low	26.1	Very low	147 Å²	147	134.7 Å²	134.7	79%	0.786	79%	0.789	S	S	*	*			trans	56	129.3	133.6	-132.5	11.3	0	0	0	121.3
633	I	22.2	Very low	26.1	Very low	128 Å²	128	135.6 Å²	135.6	66%	0.656	80%	0.795	S	S	*	*			trans	78.3	114.9	150.7	-66.5	161.3	0	0	0	119.2
634	K	21.3	Very low	26	Very low	182 Å²	182	131.2 Å²	131.2	79%	0.791	79%	0.788	S	S	*	*			trans	42.7	131.4	142.8	-57.8	176.7	177.7	175.7	0	118.4
635	T	22.7	Very low	26.8	Very low	114 Å²	114	133.5 Å²	133.5	70%	0.699	79%	0.79	S	S	*	*				177.6	147.3	72.5	20.4	0	0	0	0	112.7
636	K	25.5	Very low	26.9	Very low	203 Å²	203	138 Å²	138	88%	0.883	79%	0.79	S	S	*	*			trans	65	143.3	140.7	-67.9	176.4	176.4	-178.3	0	119.4
637	G	24.8	Very low	26.9	Very low	61 Å²	61	142.5 Å²	142.5	63%	0.629	79%	0.79	S	S	*	*			cis	-156.9	155.2	15.2	0	0	0	0	0	113.1
638	Q	28.8	Very low	26.8	Very low	187 Å²	187	142.7 Å²	142.7	87%	0.874	79%	0.791	S	S	*	*				98.2	123.7	115.7	-85.3	-173.4	2.3	0	0	110.6
639	Q	28.3	Very low	26.7	Very low	187 Å²	187	142 Å²	142	87%	0.874	79%	0.788	S	S	*	*			cis	-146.2	159	13.8	-67.6	159.8	-12.3	0	0	105.8
640	G	27.8	Very low	26.7	Very low	73 Å²	73	139.5 Å²	139.5	75%	0.753	78%	0.783	S	S	*	*			cis	176.8	161.5	9.2	0	0	0	0	0	103.7
641	S	28.8	Very low	26.3	Very low	104 Å²	104	137.5 Å²	137.5	73%	0.727	78%	0.777	S	S	*	*			cis	-169	129.7	5.1	43.7	0	0	0	0	105.1
642	Q	29.3	Very low	26.5	Very low	181 Å²	181	141.6 Å²	141.6	85%	0.846	78%	0.778	S	S	*	*			trans	56.7	134.1	138.7	-57.5	-177.2	1.3	0	0	119.9
643	T	26.3	Very low	26.8	Very low	128 Å²	128	141.2 Å²	141.2	79%	0.785	77%	0.773	S	S	*	*			cis	-174.3	142.4	-2.6	21.8	0	0	0	0	105.3
644	G	24.4	Very low	27.1	Very low	70 Å²	70	141.8 Å²	141.8	72%	0.722	78%	0.777	S	S	*	*			trans	-78.8	-145	167.4	0	0	0	0	0	111.9
645	P	41.7	Very low	27.4	Very low	121 Å²	121	135.8 Å²	135.8	79%	0.786	77%	0.767	S	S	*	*			cis	-141	172.9	-31.2	37.4	-18.4	0	0	0	114.5
646	K	29.5	Very low	27.8	Very low	194 Å²	194	139.2 Å²	139.2	84%	0.843	78%	0.775	S	S	*	*			trans	31.9	130.5	146.4	-66.4	-178.9	-179.8	176	0	123.6
647	K	26.9	Very low	28	Very low	202 Å²	202	134.8 Å²	134.8	88%	0.878	77%	0.765	S	S	*	*			trans	82.3	146.7	139.1	-78.8	-173.8	177.9	-176.5	0	121.2
648	A	26.6	Very low	28.2	Very low	95 Å²	95	137.1 Å²	137.1	79%	0.785	77%	0.767	S	S	*	*			trans	86.7	111.6	162.4	0	0	0	0	0	116.3
649	K	24.6	Very low	28.2	Very low	193 Å²	193	138 Å²	138	84%	0.839	77%	0.768	S	S	*	*				70.5	118.2	85.4	-100.9	-170.7	179.1	-176.3	0	114.2
650	I	25.4	Very low	28.1	Very low	150 Å²	150	132.7 Å²	132.7	77%	0.769	76%	0.764	S	S	*	*			trans	97.5	114.3	141	-62.5	165.3	0	0	0	118.6
651	A	25	Very low	28.1	Very low	77 Å²	77	133.8 Å²	133.8	64%	0.636	77%	0.766	S	S	*	*			trans	92.5	127.8	133.4	0	0	0	0	0	123.1
652	K	25.4	Very low	28.1	Very low	177 Å²	177	138 Å²	138	77%	0.77	77%	0.774	S	S	*	*			trans	86.5	113.9	135.4	-79.4	-176.9	171.9	-173	0	117.3
653	M	28	Very low	28.1	Very low	139 Å²	139	133.6 Å²	133.6	69%	0.685	77%	0.769	S	S	*	*				86.9	138.4	96.7	-81.1	171.8	79.1	0	0	108.8
654	D	28.1	Very low	28	Very low	139 Å²	139	137.4 Å²	137.4	74%	0.743	77%	0.774	S	S	*	*			cis	-161.5	167.9	-4.2	-76.3	-40.7	0	0	0	102.3
655	G	27.6	Very low	28.2	Very low	57 Å²	57	141.6 Å²	141.6	59%	0.588	78%	0.78	S	S	*	*			cis	-165	157	16.7	0	0	0	0	0	108
656	E	30.3	Very low	28.3	Very low	186 Å²	186	141.4 Å²	141.4	87%	0.869	78%	0.779	S	S	*	*				92.9	133.3	100.9	-79.2	-161	141.3	0	0	111.1
657	T	30.6	Very low	28.3	Very low	109 Å²	109	136 Å²	136	67%	0.669	77%	0.77	S	S	*	*			cis	-165.9	161.8	6.9	32.1	0	0	0	0	105.3
658	V	29.6	Very low	28.3	Very low	111 Å²	111	134.9 Å²	134.9	67%	0.673	77%	0.766	S	S	*	*				-171.3	129.3	56.9	167.3	0	0	0	0	109.6
659	K	28.1	Very low	28.3	Very low	204 Å²	204	138.9 Å²	138.9	89%	0.887	77%	0.765	S	S	*	*			trans	41.4	143.2	139.5	-53.5	172.9	-175.8	174.8	0	121.1
660	G	27	Very low	28.6	Very low	76 Å²	76	135.9 Å²	135.9	78%	0.784	76%	0.763	S	S	*	*			cis	-178.6	166.7	13.1	0	0	0	0	0	114
661	A	27.8	Very low	29.3	Very low	96 Å²	96	134.1 Å²	134.1	79%	0.793	76%	0.762	S	S	*	*			trans	-59.8	167.5	-172.8	0	0	0	0	0	115.2
662	Q	27.7	Very low	29.6	Very low	193 Å²	193	136 Å²	136	90%	0.902	77%	0.765	S	S	*	*				-164.6	157.3	58.1	-79.2	-179.3	-2.9	0	0	113.9
663	A	28.8	Very low	29.7	Very low	89 Å²	89	135.7 Å²	135.7	74%	0.736	77%	0.766	S	S	*	*			trans	-81.2	161.3	-178	0	0	0	0	0	115
664	K	25.9	Very low	29.7	Very low	207 Å²	207	134.8 Å²	134.8	90%	0.9	77%	0.768	S	S	*	*				172.9	121.7	116.1	-93.5	171.2	-177	178.2	0	112.3
665	N	28.3	Very low	29.7	Very low	159 Å²	159	134.4 Å²	134.4	85%	0.85	77%	0.771	S	S	*	*			trans	-74.1	174.8	153.1	-102.2	-18.2	0	0	0	109.2
666	P	44.3	Very low	29.7	Very low	117 Å²	117	136 Å²	136	76%	0.76	78%	0.779	S	S	*	*			cis	-154.4	178.3	30.6	41.6	-19	0	0	0	119.3
667	A	27.8	Very low	30.2	Very low	80 Å²	80	132.4 Å²	132.4	66%	0.661	77%	0.772	S	S	*	*			trans	90.5	117.3	134.2	0	0	0	0	0	123.7
668	K	27.4	Very low	30.1	Very low	179 Å²	179	135.4 Å²	135.4	78%	0.778	78%	0.783	S	S	*	*				89.3	121.2	119.9	-79.2	179.9	179.7	168.7	0	122.4
669	K	27	Very low	30	Very low	179 Å²	179	139 Å²	139	78%	0.778	79%	0.789	S	S	*	*				80.5	115.4	126.6	-70.1	-178.2	177.1	-166.5	0	120.7
670	T	30.7	Very low	30	Very low	129 Å²	129	137.4 Å²	137.4	79%	0.791	79%	0.787	S	S	*	*			trans	-45	161.2	145	47.1	0	0	0	0	112.9
671	P	40.9	Very low	30.1	Very low	114 Å²	114	143.6 Å²	143.6	74%	0.74	79%	0.793	S	S	*	*				-164	-174.5	57.2	39.4	-13	0	0	0	120
672	V	29.8	Very low	30.2	Very low	117 Å²	117	146.7 Å²	146.7	71%	0.709	80%	0.796	S	S	*	*			trans	87.6	121.1	150.9	-171.9	0	0	0	0	122
673	Q	28.1	Very low	30.3	Very low	169 Å²	169	146.1 Å²	146.1	79%	0.79	79%	0.79	S	S	*	*			trans	10	141.2	141.4	-54.6	169.5	-12.7	0	0	120
674	T	27.8	Very low	30.3	Very low	120 Å²	120	150.1 Å²	150.1	74%	0.736	80%	0.796	S	S	*	*				174.3	140.1	102	38.1	0	0	0	0	113.7
675	T	29	Very low	30.5	Very low	131 Å²	131	144 Å²	144	80%	0.804	79%	0.791	S	S	*	*			trans	53.1	126.8	140.9	60.7	0	0	0	0	122.8
676	A	27.3	Very low	30.6	Very low	91 Å²	91	146 Å²	146	75%	0.752	79%	0.792	S	S	*	*			trans	-49.5	-179.2	158.5	0	0	0	0	0	113.9
677	P	41.4	Very low	29.9	Very low	110 Å²	110	147.9 Å²	147.9	71%	0.714	80%	0.796	S	S	*	*			cis	-139.6	-179.3	9.1	37.2	-15.5	0	0	0	114.5
678	L	28	Very low	30.1	Very low	172 Å²	172	153.4 Å²	153.4	90%	0.901	81%	0.805	S	S	*	*				170.7	141.7	128.6	-90.6	156	0	0	0	113.6
679	K	27.6	Very low	30.2	Very low	186 Å²	186	155.2 Å²	155.2	81%	0.809	81%	0.813	S	S	*	*			trans	-73.7	150.9	-176.6	-78.4	172.8	170.2	175.8	0	113.3
680	M	27.8	Very low	30.3	Very low	172 Å²	172	156 Å²	156	85%	0.847	82%	0.817	S	S	*	*			trans	57.7	120.1	140.6	-72.5	-172.2	148.1	0	0	119.7
681	K	29	Very low	30.3	Very low	206 Å²	206	159.9 Å²	159.9	90%	0.896	82%	0.822	S	S	*	*				-178.8	136.9	99	-98.7	175	-179.3	175.3	0	112.2
682	N	29.7	Very low	29.8	Very low	160 Å²	160	163.8 Å²	163.8	86%	0.856	83%	0.833	S	S	*	*			trans	-51	142.9	167.3	-76.2	-26.1	0	0	0	113.4
683	K	29.1	Very low	29.9	Very low	182 Å²	182	167.9 Å²	167.9	79%	0.791	84%	0.842	S	S	*	*				-170.1	117.5	122.4	-108.7	178.5	179.6	179.5	0	113.2
684	M	28.5	Very low	30.2	Very low	173 Å²	173	168.9 Å²	168.9	85%	0.852	85%	0.846	S	S	*	*			trans	48	125	138.5	-72.9	-172.4	-79.3	0	0	121.6
685	G	30	Very low	30.4	Very low	77 Å²	77	172.7 Å²	172.7	79%	0.794	85%	0.852	S	S	*	*			trans	-179.3	81.6	155	0	0	0	0	0	112.1	N687	G685-N687 PolarHBondContact O-N 3.22Å
686	K	30.7	Very low	30.6	Very low	203 Å²	203	176.8 Å²	176.8	88%	0.883	86%	0.859	S	S	*	*			trans	-57.4	123.6	167.9	-74.1	175.3	175.6	176.6	0	109.2
687	N	30.5	Very low	30.9	Very low	156 Å²	156	181.7 Å²	181.7	83%	0.834	86%	0.864	S	S	*	*			trans	179	145.7	131.9	-99.6	-20.6	0	0	0	113.8	G685	G685-N687 PolarHBondContact O-N 3.22Å
688	K	31.7	Very low	30.5	Very low	196 Å²	196	187.7 Å²	187.7	85%	0.852	87%	0.874	S	S	*	*			trans	89.9	60.9	164.8	-64.4	178	-179.7	176.6	0	118.3	K690	K688-K690 PolarHBondContact O-N 3.37Å
689	F	29.3	Very low	30.8	Very low	217 Å²	217	185 Å²	185	95%	0.952	87%	0.869	S	S	*	*			trans	-70.8	97.1	139.2	-131.1	-94.8	0	0	0	108.6
690	K	29.7	Very low	30.9	Very low	196 Å²	196	184.5 Å²	184.5	85%	0.852	88%	0.875	S	S	*	*			trans	164.6	96.9	156.9	-101.4	177.4	175.3	176.5	0	109.6	K688	K688-K690 PolarHBondContact O-N 3.37Å
691	K	30.3	Very low	31.3	Very low	209 Å²	209	180.1 Å²	180.1	91%	0.909	87%	0.873	S	S	*	*			trans	156.1	84.8	147.4	-92.4	177	175.5	-179.6	0	109.7
692	M	31.5	Very low	31.7	Very low	196 Å²	196	183 Å²	183	97%	0.966	89%	0.89	S	S	*	*			trans	-172.9	48.8	149.3	-106.7	-179.5	-159.7	0	0	110.7
693	K	31.6	Very low	31.8	Very low	204 Å²	204	184.1 Å²	184.1	89%	0.887	89%	0.891	S	S	*	*	S	Bend	trans	-128.8	72.9	159.3	-87.3	-170.5	175.3	-177.6	0	106.9
694	H	33.8	Very low	31.9	Very low	190 Å²	190	184.2 Å²	184.2	88%	0.88	90%	0.896	S	S	*	*	S	Bend	trans	-178.9	87.7	161.1	-109.5	-73.2	0	0	0	108.3
695	K	32.9	Very low	32.1	Very low	199 Å²	199	184.8 Å²	184.8	87%	0.865	90%	0.899	S	S	*	*	S	Bend	trans	165.7	81.6	153.6	-97.9	177.8	178.7	-173.9	0	107.7
696	F	32.4	Very low	32.3	Very low	218 Å²	218	191.2 Å²	191.2	96%	0.956	91%	0.905	S	S	*	*			trans	-177.7	56.3	148.1	-100.9	-73	0	0	0	107.2
697	K	32.5	Very low	32.4	Very low	193 Å²	193	190.4 Å²	190.4	84%	0.839	91%	0.907	S	S	*	*			trans	-126	138.4	151.1	-92.3	-172.3	174.3	-175.4	0	103.8
698	Y	34.7	Very low	32.5	Very low	237 Å²	237	192.7 Å²	192.7	93%	0.929	91%	0.911	S	S	*	*			trans	90.6	74.6	-171.5	-61.1	-80.1	0	0	0	116.4
699	S	32.7	Very low	32.5	Very low	115 Å²	115	192.5 Å²	192.5	80%	0.804	92%	0.916	S	S	*	*	S	Bend	trans	-163.3	122.5	135.5	-176.8	0	0	0	0	108
700	L	31	Very low	32.8	Very low	176 Å²	176	190.6 Å²	190.6	92%	0.921	91%	0.913	S	S	*	*			trans	111.1	75.4	179.7	-66.1	154.2	0	0	0	114.1
701	G	36.4	Very low	33	Very low	79 Å²	79	190.2 Å²	190.2	81%	0.814	92%	0.918	S	S	*	*			trans	-132.7	95.3	149.1	0	0	0	0	0	107
702	Q	36.9	Very low	33.3	Very low	266 Å²	266	188.5 Å²	188.5	100%	1.243	92%	0.919	S	S	*	*			trans	-170.7	0	147.7	-106.9	-174.3	10.9	0	0	108.2

Retrieved 702 of 702 residues in 332.4 ms (Link to these results)

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