A0A087Y1B7_POEFO Loading...

Kelch-like family member 4

AlphaFold DB , UniProt , Accession A0A087Y1B7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 728 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31	Very low	31.7	Very low	229 Å²	229	147.8 Å²	147.8	100%	1.128	80%	0.795	S	S	*	*				0	122.5	0	-59.6	168.1	-174.4	0	0	106.1
2	S	27	Very low	31.8	Very low	107 Å²	107	147.9 Å²	147.9	75%	0.748	78%	0.783	S	S	*	*			cis	68.2	141.8	34.4	81.4	0	0	0	0	114.8
3	V	30.3	Very low	32.2	Very low	135 Å²	135	147 Å²	147	82%	0.818	77%	0.772	S	S	*	*			cis	-162.1	145.3	-24.1	134.4	0	0	0	0	104.6
4	S	29	Very low	32.9	Very low	125 Å²	125	143.3 Å²	143.3	87%	0.874	75%	0.751	S	S	*	*			trans	-154	110.9	151.9	-169.6	0	0	0	0	109.3
5	G	25.6	Very low	33.1	Very low	66 Å²	66	137.7 Å²	137.7	68%	0.68	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-96.2	125.9	-174.6	0	0	0	0	0	111.9
6	K	30.1	Very low	33.2	Very low	207 Å²	207	142.1 Å²	142.1	90%	0.9	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-66.9	129.6	155.6	-68.2	-176.1	176.8	-176.1	0	107.4	E8	K6-E8 PolarHBondContact O-N 2.6Å
7	K	31.3	Very low	33.1	Very low	197 Å²	197	142.5 Å²	142.5	86%	0.857	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-68.9	122	168.9	-73.2	-177.2	175.1	-178.4	0	108.4
8	E	30.1	Very low	33.6	Very low	190 Å²	190	139.1 Å²	139.1	89%	0.888	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-69.4	140.3	161.2	-68.4	178.7	111.4	0	0	108.8	K6 D10	K6-E8 PolarHBondContact O-N 2.6Å; E8-D10 PolarHBondContact O-N 2.92Å
9	F	39.6	Very low	33.5	Very low	195 Å²	195	142.3 Å²	142.3	86%	0.855	71%	0.708	S	S	*	*			trans	-78.4	111.6	173.2	-81.5	-109.2	0	0	0	108.8	V11	F9-V11 PolarHBondContact O-N 3.23Å
10	D	35	Very low	33.7	Very low	84 Å²	84	145.3 Å²	145.3	45%	0.449	71%	0.711	S	S	.	*			trans	-78.4	87.9	178.8	-171.4	12.8	0	0	0	112.2	E8 K12 Q13	E8-D10 PolarHBondContact O-N 2.92Å; D10-K12 PolarHBondContact O-N 3.04Å; D10-K12 WeakPolarHBondContact OD1-CB 3.37Å; D10-K12 WeakPolarHBondContact OD1-CG 3.26Å; D10-K12 PolarHBondContact OD1-N 3.06Å; D10-Q13 PolarHBondContact O-N 3.33Å; D10-Q13 VanDerWaalsContact O-N 3.09Å
11	V	39.4	Very low	34	Very low	91 Å²	91	145.7 Å²	145.7	55%	0.552	71%	0.705	S	S	*	*	H	α-helix	trans	-50.4	-23.8	173	-176.6	0	0	0	0	112.5	F9 L15	F9-V11 PolarHBondContact O-N 3.23Å; V11-L15 HydrophobicContact CG1-CD1 4.24Å; V11-L15 WeakPolarHBondContact O-CG 3.24Å; V11-L15 PolarHBondContact O-N 3.22Å
12	K	33.5	Very low	34.2	Very low	149 Å²	149	140.3 Å²	140.3	65%	0.648	68%	0.675	S	S	*	*	H	α-helix	trans	-76.4	-20.6	-177.9	-57.7	167.7	-176.3	164.5	0	113.8	D10	D10-K12 PolarHBondContact O-N 3.04Å; D10-K12 WeakPolarHBondContact OD1-CB 3.37Å; D10-K12 WeakPolarHBondContact OD1-CG 3.26Å; D10-K12 PolarHBondContact OD1-N 3.06Å
13	Q	36.5	Very low	34.3	Very low	136 Å²	136	137.8 Å²	137.8	64%	0.636	66%	0.658	S	S	*	*	H	α-helix	trans	-72.1	-45.3	171.5	-80.3	-172.1	-74.9	0	0	111.2	D10 L15 R16	D10-Q13 PolarHBondContact O-N 3.33Å; D10-Q13 VanDerWaalsContact O-N 3.09Å; Q13-L15 VanDerWaalsContact C-N 3.28Å; Q13-L15 PolarHBondContact O-N 2.64Å; Q13-R16 PolarHBondContact O-N 2.94Å; Q13-R16 VanDerWaalsContact O-N 3.09Å
14	I	41.7	Very low	34.3	Very low	95 Å²	95	139.2 Å²	139.2	49%	0.487	66%	0.655	S	S	.	*	H	α-helix	trans	-57.4	-41.8	177.8	-66.1	173.4	0	0	0	111.1	R16 R18	I14-R16 VanDerWaalsContact C-N 3.29Å; I14-R16 PolarHBondContact O-N 2.73Å; I14-R18 WeakPolarHBondContact O-CG 3.46Å; I14-R18 PolarHBondContact O-N 3.04Å
15	L	36.2	Very low	34.2	Very low	60 Å²	60	138.2 Å²	138.2	31%	0.314	65%	0.648	S	S	.	*	H	α-helix	trans	-68.4	-19.2	179.3	-71.1	171.7	0	0	0	114.9	V11 Q13	V11-L15 HydrophobicContact CG1-CD1 4.24Å; V11-L15 WeakPolarHBondContact O-CG 3.24Å; V11-L15 PolarHBondContact O-N 3.22Å; Q13-L15 VanDerWaalsContact C-N 3.28Å; Q13-L15 PolarHBondContact O-N 2.64Å
16	R	34.9	Very low	34.3	Very low	208 Å²	208	141 Å²	141	79%	0.785	66%	0.657	S	S	*	*	H	α-helix	trans	-83	-28.6	-179.5	-79.2	177	170.7	166.9	-1.9	113.8	Q13 I14	Q13-R16 PolarHBondContact O-N 2.94Å; Q13-R16 VanDerWaalsContact O-N 3.09Å; I14-R16 VanDerWaalsContact C-N 3.29Å; I14-R16 PolarHBondContact O-N 2.73Å
17	L	32.1	Very low	34.1	Very low	148 Å²	148	139.9 Å²	139.9	78%	0.775	66%	0.655	S	S	*	*	H	α-helix	trans	-81.6	-31	174.5	-75	162.1	0	0	0	112.2	W19	L17-W19 PolarHBondContact O-N 2.81Å; L17-W19 VanDerWaalsContact O-N 3.08Å
18	R	41.3	Very low	33.9	Very low	82 Å²	82	134.2 Å²	134.2	31%	0.309	65%	0.652	S	S	.	*	G	3₁₀ helix	trans	-65.5	-9.7	-178.4	-73.9	174.6	177.8	-142.8	-11.9	115.8	I14 R20 E329	I14-R18 WeakPolarHBondContact O-CG 3.46Å; I14-R18 PolarHBondContact O-N 3.04Å; R18-R20 VanDerWaalsContact C-N 3.29Å; R18-R20 PolarHBondContact O-N 2.65Å; R18-E329 IonicContact CZ-OE1 3.56Å; R18-E329 VanDerWaalsContact NH1-CG 3.28Å; R18-E329 IonicContact NH1-OE1 3.21Å; R18-E329 PolarHBondContact NH1-OE1 3.34Å; R18-E329 IonicContact NH2-OE1 3.76Å; R18-E329 PolarHBondContact NH2-OE1 3.23Å
19	W	32.2	Very low	33.8	Very low	199 Å²	199	131 Å²	131	75%	0.754	65%	0.651	S	S	*	*	G	3₁₀ helix	trans	-68.2	-20.4	-176.8	-114.1	80.2	0	0	0	115	L17 S23	L17-W19 PolarHBondContact O-N 2.81Å; L17-W19 VanDerWaalsContact O-N 3.08Å; W19-S23 WeakPolarHBondContact O-CB 3.48Å; W19-S23 PolarHBondContact O-OG 3.12Å
20	R	37.5	Very low	33.2	Very low	202 Å²	202	126.6 Å²	126.6	76%	0.762	65%	0.651	S	S	*	*	G	3₁₀ helix	trans	-71.9	-28.4	-178.8	-77.7	-173.6	171.4	-178.1	-2	114.8	R18 H24	R18-R20 VanDerWaalsContact C-N 3.29Å; R18-R20 PolarHBondContact O-N 2.65Å; R20-H24 PolarHBondContact O-CD2 2.64Å
21	W	40	Very low	32.8	Very low	155 Å²	155	126.3 Å²	126.3	59%	0.587	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	-27.6	-174	-68.6	93.1	0	0	0	113.6	F300	W21-F300 HydrophobicContact CH2-CD2 4.3Å; W21-F300 HydrophobicContact CZ2-CD2 4.44Å
22	F	35.5	Very low	32.1	Very low	115 Å²	115	126.2 Å²	126.2	50%	0.504	69%	0.685	S	S	.	*	S	Bend	trans	-95.1	1.8	-178.2	-62.1	-71	0	0	0	114.7	L332	F22-L332 HydrophobicContact CD1-CB 4.45Å; F22-L332 HydrophobicContact CD2-CD1 4.49Å; F22-L332 HydrophobicContact CE1-CB 3.78Å; F22-L332 WeakPolarHBondContact CE1-O 3.4Å; F22-L332 HydrophobicContact CE2-CB 4.12Å; F22-L332 HydrophobicContact CE2-CD1 3.93Å; F22-L332 HydrophobicContact CZ-CB 3.58Å; F22-L332 HydrophobicContact CZ-CD1 4.22Å
23	S	28.8	Very low	31.7	Very low	55 Å²	55	122.9 Å²	122.9	39%	0.385	69%	0.693	S	S	.	*	S	Bend	trans	-113.2	-6.8	-170.5	51.2	0	0	0	0	115.6	W19 S25	W19-S23 WeakPolarHBondContact O-CB 3.48Å; W19-S23 PolarHBondContact O-OG 3.12Å; S23-S25 PolarHBondContact O-N 3.35Å
24	H	29.9	Very low	31.1	Very low	164 Å²	164	120.8 Å²	120.8	76%	0.759	71%	0.708	S	S	*	*			trans	-98.5	77.4	179.2	-76.2	-61.4	0	0	0	112.8	R20	R20-H24 PolarHBondContact O-CD2 2.64Å
25	S	26.3	Very low	30.3	Very low	104 Å²	104	120.1 Å²	120.1	73%	0.727	72%	0.724	S	S	*	*			trans	-70.6	144.3	152.8	54.9	0	0	0	0	109.7	S23 Q27	S23-S25 PolarHBondContact O-N 3.35Å; S25-Q27 PolarHBondContact O-N 2.99Å
26	S	28.1	Very low	29.8	Very low	124 Å²	124	122.9 Å²	122.9	87%	0.867	75%	0.749	S	S	*	*			trans	-77.2	87.9	-171.2	40	0	0	0	0	112.9	G28	S26-G28 VanDerWaalsContact C-N 3.31Å; S26-G28 PolarHBondContact O-N 2.8Å
27	Q	26.1	Very low	29.5	Very low	185 Å²	185	119.8 Å²	119.8	86%	0.864	75%	0.753	S	S	*	*			trans	-70.3	85.6	165.3	-73.3	-165.6	-8	0	0	111.1	S25 S29	S25-Q27 PolarHBondContact O-N 2.99Å; Q27-S29 PolarHBondContact O-N 3.17Å
28	G	27.2	Very low	29.2	Very low	77 Å²	77	116 Å²	116	79%	0.794	75%	0.75	S	S	*	*			trans	-65.7	110.4	165.5	0	0	0	0	0	110.4	S26	S26-G28 VanDerWaalsContact C-N 3.31Å; S26-G28 PolarHBondContact O-N 2.8Å
29	S	28.3	Very low	28.5	Very low	122 Å²	122	116.8 Å²	116.8	85%	0.853	77%	0.767	S	S	*	*			trans	-69.3	141.5	179.8	-169.1	0	0	0	0	111.7	Q27	Q27-S29 PolarHBondContact O-N 3.17Å
30	A	26.6	Very low	28.1	Very low	104 Å²	104	117.9 Å²	117.9	86%	0.86	77%	0.773	S	S	*	*			trans	-79.6	125.2	-176.7	0	0	0	0	0	112.3
31	G	26.6	Very low	27.5	Very low	77 Å²	77	115.6 Å²	115.6	79%	0.794	78%	0.775	S	S	*	*			trans	-129.6	111.1	167.5	0	0	0	0	0	109.8
32	G	24.7	Very low	26.8	Very low	89 Å²	89	116.4 Å²	116.4	92%	0.918	79%	0.785	S	S	*	*			trans	-85.9	136	-171.1	0	0	0	0	0	114.5
33	G	24.8	Very low	26.4	Very low	80 Å²	80	119.7 Å²	119.7	83%	0.825	80%	0.802	S	S	*	*			trans	-158.7	113.3	168.1	0	0	0	0	0	109.4
34	G	24.4	Very low	26.2	Very low	91 Å²	91	124.3 Å²	124.3	94%	0.938	82%	0.822	S	S	*	*			trans	-85.2	141.1	-166.8	0	0	0	0	0	114.9
35	G	25.2	Very low	26	Very low	81 Å²	81	120.1 Å²	120.1	84%	0.835	82%	0.823	S	S	*	*			trans	-156.7	123.2	168.5	0	0	0	0	0	109.9
36	S	24.3	Very low	26	Very low	119 Å²	119	123.4 Å²	123.4	83%	0.832	83%	0.832	S	S	*	*			trans	-90.8	144.4	-176.4	-177.1	0	0	0	0	111.7
37	V	28.8	Very low	25.9	Very low	142 Å²	142	124.1 Å²	124.1	86%	0.861	83%	0.826	S	S	*	*				166.7	137	126.9	152.7	0	0	0	0	112.3
38	G	26	Very low	26	Very low	69 Å²	69	123.7 Å²	123.7	71%	0.711	82%	0.824	S	S	*	*				85.3	56.6	128.9	0	0	0	0	0	121.6
39	S	25.9	Very low	26	Very low	98 Å²	98	132.4 Å²	132.4	69%	0.685	83%	0.832	S	S	*	*			trans	9.7	152.1	137.2	-154	0	0	0	0	122.8
40	Y	25.6	Very low	25.8	Very low	222 Å²	222	129.5 Å²	129.5	87%	0.871	82%	0.822	S	S	*	*			trans	114.2	145.2	152.3	-77.4	-72.2	0	0	0	120.9
41	I	24.5	Very low	25.8	Very low	155 Å²	155	131.4 Å²	131.4	80%	0.795	82%	0.823	S	S	*	*			trans	-117.4	137.9	-171.2	-65.7	163.3	0	0	0	108.6
42	Q	25.4	Very low	26.8	Very low	171 Å²	171	133 Å²	133	80%	0.799	82%	0.819	S	S	*	*			trans	-155.7	125.6	166.7	-152.6	156.6	4.8	0	0	104.9
43	Q	26.1	Very low	26.9	Very low	184 Å²	184	135.4 Å²	135.4	86%	0.86	82%	0.816	S	S	*	*			cis	71.5	59.5	25.9	-127.1	-174.7	25.5	0	0	114.1
44	D	25.7	Very low	27.1	Very low	152 Å²	152	140.8 Å²	140.8	81%	0.813	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-80.7	117.1	167.5	-79.3	-38.5	0	0	0	111.6
45	G	24.3	Very low	27.2	Very low	76 Å²	76	139.8 Å²	139.8	78%	0.784	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-100.1	125.2	156.9	0	0	0	0	0	108.9
46	L	27.3	Very low	27.3	Very low	174 Å²	174	147.4 Å²	147.4	91%	0.911	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-90.3	116.5	178.5	-83.8	167	0	0	0	110.7
47	D	25.7	Very low	27.4	Very low	139 Å²	139	148.8 Å²	148.8	74%	0.743	81%	0.809	S	S	*	*			trans	-149	141.4	163.5	-137.3	-4	0	0	0	114.2
48	H	27.9	Very low	27.3	Very low	176 Å²	176	150.6 Å²	150.6	82%	0.815	81%	0.806	S	S	*	*			trans	51.4	117.3	161.6	-76	52.4	0	0	0	121.1
49	R	27.2	Very low	27.4	Very low	260 Å²	260	151.6 Å²	151.6	98%	0.981	80%	0.802	S	S	*	*			trans	-135.5	138.2	146.1	-149.1	-176.3	-160.6	-163.8	7.4	108.4
50	G	24.8	Very low	27.4	Very low	61 Å²	61	155.3 Å²	155.3	63%	0.629	81%	0.808	S	S	*	*			trans	-172.9	-179.4	-177.9	0	0	0	0	0	117.1
51	T	27.4	Very low	27.6	Very low	144 Å²	144	149 Å²	149	88%	0.883	80%	0.797	S	S	*	*			trans	69.3	166.5	176.6	81.3	0	0	0	0	115.2
52	P	47.1	Very low	27.8	Very low	110 Å²	110	153.1 Å²	153.1	71%	0.714	80%	0.802	S	S	*	*			cis	-129.1	172.2	-4.4	40.6	-26.1	0	0	0	115
53	V	26.5	Very low	28	Very low	140 Å²	140	153.5 Å²	153.5	85%	0.848	80%	0.804	S	S	*	*				-165.1	156.3	118.8	144.3	0	0	0	0	109.7
54	Q	29.1	Very low	28.2	Very low	193 Å²	193	156.8 Å²	156.8	90%	0.902	81%	0.808	S	S	*	*			trans	-77.7	163	-165.9	-58.6	151.7	7.5	0	0	113.2
55	G	26.5	Very low	28.4	Very low	69 Å²	69	152.5 Å²	152.5	71%	0.711	80%	0.801	S	S	*	*			cis	146.8	178.3	-3.1	0	0	0	0	0	112.7
56	R	27.5	Very low	28.7	Very low	242 Å²	242	157.6 Å²	157.6	91%	0.913	81%	0.808	S	S	*	*			trans	66.1	144.5	173.8	-76	178.6	176.7	175.4	-1	115.7
57	L	27	Very low	28.7	Very low	147 Å²	147	153 Å²	153	77%	0.77	80%	0.802	S	S	*	*			cis	-142.4	139.2	4.8	-96.3	131.9	0	0	0	112.5
58	K	26.9	Very low	28.8	Very low	180 Å²	180	149.8 Å²	149.8	78%	0.783	80%	0.803	S	S	*	*				21.1	119.2	129.6	-72.4	-169.8	171	-172.7	0	121.9
59	S	26.4	Very low	28.8	Very low	90 Å²	90	148.6 Å²	148.6	63%	0.629	80%	0.801	S	S	*	*				49.2	127.6	128.3	66.3	0	0	0	0	122.2
60	H	26.5	Very low	28.8	Very low	176 Å²	176	146.6 Å²	146.6	82%	0.815	79%	0.794	S	S	*	*				-165.5	155.3	94.8	-112.2	-73.8	0	0	0	115.6
61	S	28.9	Very low	28.9	Very low	91 Å²	91	153 Å²	153	64%	0.636	80%	0.804	S	S	*	*			trans	-71.4	150	169.9	54.2	0	0	0	0	114.6
62	R	28.7	Very low	28.8	Very low	241 Å²	241	152 Å²	152	91%	0.909	80%	0.798	S	S	*	*				-175.1	154	116.7	-110.6	174.9	170.1	157.7	-1.9	115.1
63	E	31.2	Very low	27.8	Very low	178 Å²	178	152.5 Å²	152.5	83%	0.832	80%	0.804	S	S	*	*			trans	-76.6	162.1	168.4	-50.9	144.2	100.5	0	0	112
64	R	30.3	Very low	28	Very low	253 Å²	253	151.5 Å²	151.5	96%	0.955	80%	0.803	S	S	*	*			trans	-152.5	132.4	136.4	-104.7	179.9	-164.2	-157.5	3.2	110.1
65	G	28.5	Very low	28.6	Very low	63 Å²	63	148.4 Å²	148.4	65%	0.649	80%	0.8	S	S	*	*			trans	-99.1	-152.6	167.7	0	0	0	0	0	112.1
66	I	30.6	Very low	28.7	Very low	182 Å²	182	150.7 Å²	150.7	93%	0.933	80%	0.8	S	S	*	*			trans	76.1	125.1	-168.5	-47.7	164.1	0	0	0	111.4
67	G	27.9	Very low	28.8	Very low	77 Å²	77	148.4 Å²	148.4	79%	0.794	80%	0.8	S	S	*	*			cis	135.1	134.8	-7.2	0	0	0	0	0	112.9
68	G	27.2	Very low	28.8	Very low	73 Å²	73	146.2 Å²	146.2	75%	0.753	80%	0.796	S	S	*	*			trans	147.4	90.9	167.7	0	0	0	0	0	119.5
69	L	28.5	Very low	28.9	Very low	150 Å²	150	144.9 Å²	144.9	79%	0.785	80%	0.803	S	S	*	*				48.7	111.7	129.6	-66	160.3	0	0	0	123.1
70	R	27.8	Very low	28.9	Very low	219 Å²	219	148.8 Å²	148.8	83%	0.826	81%	0.813	S	S	*	*				50.8	122.4	124.9	-62.4	179.8	179.9	-177.4	-0.9	121.9
71	K	26.6	Very low	28.8	Very low	194 Å²	194	145.1 Å²	145.1	84%	0.843	81%	0.807	S	S	*	*				177.2	124.9	113.2	-92	163.6	-179.8	-177.4	0	107.6
72	T	26.3	Very low	28.7	Very low	124 Å²	124	150 Å²	150	76%	0.761	82%	0.82	S	S	*	*				63.9	95.2	58.7	70.1	0	0	0	0	115.6
73	S	25.9	Very low	28.8	Very low	120 Å²	120	144.7 Å²	144.7	84%	0.839	82%	0.815	S	S	*	*			trans	-171.4	113.6	142.4	55.1	0	0	0	0	112.2
74	S	30.7	Very low	29	Very low	119 Å²	119	142.3 Å²	142.3	83%	0.832	82%	0.815	S	S	*	*			trans	-96.3	155.7	152.7	-49.2	0	0	0	0	108.5
75	P	41.4	Very low	28.9	Very low	128 Å²	128	133.5 Å²	133.5	83%	0.831	80%	0.803	S	S	*	*			trans	-113.6	150.5	153.3	34.9	-26.4	0	0	0	111.7
76	V	29	Very low	29.5	Very low	118 Å²	118	136 Å²	136	72%	0.715	81%	0.808	S	S	*	*			trans	-126	140.8	170.7	173.3	0	0	0	0	106.8
77	H	29.5	Very low	29.5	Very low	194 Å²	194	133.1 Å²	133.1	90%	0.898	80%	0.798	S	S	*	*			trans	-155.6	148	151.6	-112.3	-74	0	0	0	111.9
78	S	26.6	Very low	29.8	Very low	100 Å²	100	135.2 Å²	135.2	70%	0.699	80%	0.798	S	S	*	*			trans	-117.4	148.1	-168.9	-32.2	0	0	0	0	111.9
79	V	27.9	Very low	29.9	Very low	152 Å²	152	137 Å²	137	92%	0.921	79%	0.794	S	S	*	*			trans	-139.3	162.7	159.9	-177.8	0	0	0	0	108.8
80	M	26.8	Very low	29.9	Very low	172 Å²	172	140.4 Å²	140.4	85%	0.847	80%	0.798	S	S	*	*			trans	-94.7	167.6	-158.3	-60	172.9	69.2	0	0	116.2
81	S	25	Very low	29.8	Very low	99 Å²	99	135.3 Å²	135.3	69%	0.692	79%	0.791	S	S	*	*			trans	-31.2	150.1	166.8	56.5	0	0	0	0	119.5
82	Q	26.7	Very low	29.8	Very low	194 Å²	194	137.5 Å²	137.5	91%	0.907	79%	0.794	S	S	*	*				-159.2	153.5	122.9	-111.6	170.5	38.7	0	0	112.5
83	T	30	Very low	29.7	Very low	129 Å²	129	138.2 Å²	138.2	79%	0.791	80%	0.798	S	S	*	*			trans	-96	158.6	167.7	43.5	0	0	0	0	110.6
84	P	35.3	Very low	29.8	Very low	129 Å²	129	136.2 Å²	136.2	84%	0.838	80%	0.797	S	S	*	*				-140.4	175.5	123.2	37.3	-24.5	0	0	0	114.5
85	G	28.6	Very low	29.6	Very low	68 Å²	68	139.7 Å²	139.7	70%	0.701	80%	0.799	S	S	*	*			trans	-87.7	-162.3	-176.5	0	0	0	0	0	116.3
86	P	41.2	Very low	28.9	Very low	116 Å²	116	141.9 Å²	141.9	75%	0.753	80%	0.799	S	S	*	*			trans	-111.5	170.7	-146.7	40.6	-37	0	0	0	117.4
87	T	30.4	Very low	28.6	Very low	120 Å²	120	140.3 Å²	140.3	74%	0.736	79%	0.793	S	S	*	*			trans	72.5	146	161.3	14	0	0	0	0	116.6
88	P	35.1	Very low	28.4	Very low	122 Å²	122	141 Å²	141	79%	0.792	79%	0.787	S	S	*	*				-132.9	169.4	79	39.8	-28.5	0	0	0	116.1
89	V	28.1	Very low	28.4	Very low	111 Å²	111	143 Å²	143	67%	0.673	79%	0.785	S	S	*	*			trans	-79	151	174.5	173	0	0	0	0	110.9	V91	V89-V91 HydrophobicContact CG1-CG2 3.98Å
90	Y	28.5	Very low	28.2	Very low	221 Å²	221	144.8 Å²	144.8	87%	0.867	78%	0.784	S	S	*	*			trans	-126.8	126.6	156.5	-111.4	-82.6	0	0	0	111.7
91	V	26.5	Very low	28.1	Very low	111 Å²	111	144.8 Å²	144.8	67%	0.673	78%	0.782	S	S	*	*			trans	-113.4	142.9	170	173.2	0	0	0	0	107.8	V89	V89-V91 HydrophobicContact CG1-CG2 3.98Å
92	R	26.2	Very low	28.9	Very low	241 Å²	241	145.4 Å²	145.4	91%	0.909	78%	0.783	S	S	*	*			trans	-145.2	131.1	155.4	-116.8	-178	-173.9	-162.6	0.7	112.1
93	T	25.5	Very low	29	Very low	138 Å²	138	142.6 Å²	142.6	85%	0.847	77%	0.774	S	S	*	*			trans	-97.6	160.7	171.1	44.2	0	0	0	0	110.2
94	G	26.5	Very low	28.9	Very low	78 Å²	78	141.1 Å²	141.1	80%	0.804	77%	0.765	S	S	*	*			trans	178.6	112.2	173.9	0	0	0	0	0	112.7
95	H	27.3	Very low	28.6	Very low	192 Å²	192	141.1 Å²	141.1	89%	0.889	76%	0.757	S	S	*	*			trans	-97.5	169.8	175.1	-97.8	-97.9	0	0	0	111.8
96	Q	26.4	Very low	28.6	Very low	175 Å²	175	146.6 Å²	146.6	82%	0.818	76%	0.764	S	S	*	*			trans	112.1	88.1	150.4	-56.8	-164.8	-15.5	0	0	118.8
97	S	23.1	Very low	27.9	Very low	85 Å²	85	144.8 Å²	144.8	59%	0.594	77%	0.766	S	S	*	*				21.3	129.6	118.7	58.8	0	0	0	0	119
98	W	24.8	Very low	27.7	Very low	207 Å²	207	146.6 Å²	146.6	78%	0.784	77%	0.771	S	S	*	*				-176.6	161.3	70	-92.3	109.5	0	0	0	113.2
99	H	26	Very low	27.4	Very low	142 Å²	142	148.2 Å²	148.2	66%	0.657	77%	0.768	S	S	*	*			trans	46	130.4	159.3	-60	-58.4	0	0	0	119.9
100	H	24.9	Very low	27.3	Very low	191 Å²	191	148.4 Å²	148.4	88%	0.884	77%	0.769	S	S	*	*				-147.4	161.7	57.2	-106.7	-93.7	0	0	0	115.5
101	Q	24.6	Very low	27.1	Very low	172 Å²	172	144.7 Å²	144.7	80%	0.804	76%	0.764	S	S	*	*			trans	-97.1	-174.7	174.2	-110.6	-169.7	-13.2	0	0	111.4
102	P	42	Very low	27.2	Very low	111 Å²	111	147.5 Å²	147.5	72%	0.721	77%	0.77	S	S	*	*			cis	-112.7	-163.6	6.2	43	-29.1	0	0	0	111.9
103	N	28.9	Very low	27.1	Very low	135 Å²	135	144.5 Å²	144.5	72%	0.722	77%	0.766	S	S	*	*			cis	-149	-163.6	7.4	-155.7	16.8	0	0	0	107.7
104	T	27.9	Very low	27.1	Very low	99 Å²	99	148.9 Å²	148.9	61%	0.607	77%	0.769	S	S	*	*			cis	-157.1	149.4	11.2	-42	0	0	0	0	109.9
105	I	28.6	Very low	28.3	Very low	129 Å²	129	150.1 Å²	150.1	66%	0.662	76%	0.763	S	S	*	*			trans	37.9	101.3	153.9	-66.4	173	0	0	0	117.6
106	Q	27.5	Very low	28.3	Very low	183 Å²	183	150 Å²	150	86%	0.855	76%	0.76	S	S	*	*				74.3	140.4	87.9	-69.4	167.7	-19.8	0	0	115
107	G	26.4	Very low	28.2	Very low	77 Å²	77	146.6 Å²	146.6	79%	0.794	76%	0.755	S	S	*	*			cis	-157.2	177.1	6.9	0	0	0	0	0	115.2
108	L	26.3	Very low	28.2	Very low	158 Å²	158	149.9 Å²	149.9	83%	0.827	76%	0.764	S	S	*	*			trans	-116.4	167.3	-163	-79.4	165	0	0	0	110.3
109	Q	28.6	Very low	28.2	Very low	156 Å²	156	144.5 Å²	144.5	73%	0.729	76%	0.758	S	S	*	*			cis	178.8	-165.2	-4	170.9	178	16.6	0	0	107.9
110	V	27.2	Very low	28.1	Very low	116 Å²	116	142.9 Å²	142.9	70%	0.703	76%	0.763	S	S	*	*			trans	98.7	125.3	151.7	-177.9	0	0	0	0	114.6
111	N	24.5	Very low	28.7	Very low	142 Å²	142	140.1 Å²	140.1	76%	0.759	76%	0.762	S	S	*	*			cis	-150	175.3	5	-136	21.1	0	0	0	114.6
112	E	27.6	Very low	28.8	Very low	170 Å²	170	137.1 Å²	137.1	79%	0.794	76%	0.76	S	S	*	*			trans	-79.5	178.8	163.3	-60.3	179.7	115.9	0	0	110.4
113	E	24.3	Very low	28	Very low	179 Å²	179	136.7 Å²	136.7	84%	0.836	77%	0.766	S	S	*	*			cis	-156.7	-175.8	34.8	-60.9	176.1	109.6	0	0	113.7
114	Y	26.6	Very low	28	Very low	230 Å²	230	136.5 Å²	136.5	90%	0.902	77%	0.769	S	S	*	*			trans	-135.8	169.6	165.3	-90	-73.9	0	0	0	107.6
115	P	50.9	Low	27.9	Very low	104 Å²	104	142.4 Å²	142.4	68%	0.675	78%	0.781	S	S	*	*			cis	-146.3	179.5	17.5	42.5	-21.6	0	0	0	119.2
116	K	27.1	Very low	27.9	Very low	189 Å²	189	143 Å²	143	82%	0.822	78%	0.778	S	S	*	*			trans	72.4	109.6	143.5	-82.5	166.9	175.7	177	0	124.2
117	S	24.6	Very low	27.8	Very low	103 Å²	103	141.4 Å²	141.4	72%	0.72	77%	0.771	S	S	*	*				102.3	144.2	111.2	79.5	0	0	0	0	124.1
118	I	22.9	Very low	27.7	Very low	155 Å²	155	144.3 Å²	144.3	80%	0.795	76%	0.764	S	S	*	*			trans	89.9	102.1	154.3	-64	165.8	0	0	0	121.7
119	S	23.8	Very low	27.7	Very low	94 Å²	94	142.5 Å²	142.5	66%	0.657	76%	0.76	S	S	*	*			trans	31.8	126.8	143.2	70.7	0	0	0	0	127.1
120	S	24.8	Very low	27.7	Very low	108 Å²	108	142.4 Å²	142.4	76%	0.755	76%	0.764	S	S	*	*				62.7	146.3	126	76.7	0	0	0	0	121.1
121	P	38.6	Very low	27.6	Very low	132 Å²	132	142.3 Å²	142.3	86%	0.857	77%	0.768	S	S	*	*				-146.9	-162.2	56.8	42	-20.2	0	0	0	117.6
122	S	26.4	Very low	27.6	Very low	110 Å²	110	138.4 Å²	138.4	77%	0.769	76%	0.762	S	S	*	*			trans	-98.2	164.2	-155.9	55.5	0	0	0	0	119.2
123	A	24.9	Very low	27.6	Very low	101 Å²	101	138.6 Å²	138.6	84%	0.835	76%	0.763	S	S	*	*			trans	-152.8	161.7	145.1	0	0	0	0	0	111.3
124	T	27.9	Very low	27.7	Very low	131 Å²	131	138 Å²	138	80%	0.804	76%	0.76	S	S	*	*			trans	-147	154.2	-160	55.5	0	0	0	0	116.6
125	R	25.9	Very low	27.7	Very low	224 Å²	224	135.2 Å²	135.2	85%	0.845	76%	0.756	S	S	*	*			trans	-171.7	125.8	141.2	-104.8	178.8	178.5	-165.1	-3.1	110.1
126	K	28.7	Very low	26.5	Very low	141 Å²	141	137.6 Å²	137.6	61%	0.613	76%	0.76	S	S	*	*				72.2	146.2	95.3	-82.5	179.5	156.4	-75.4	0	114.3
127	E	25	Very low	26.5	Very low	150 Å²	150	135.7 Å²	135.7	70%	0.701	76%	0.757	S	S	*	*			cis	-149.3	179.7	17.7	-145.3	147.4	-137.2	0	0	114.8
128	E	25.7	Very low	26.4	Very low	138 Å²	138	135.9 Å²	135.9	65%	0.645	76%	0.758	S	S	*	*			trans	-140.6	163	-168.1	-30.6	84.2	56.6	0	0	111.1
129	T	26.7	Very low	26.5	Very low	120 Å²	120	134.4 Å²	134.4	74%	0.736	76%	0.762	S	S	*	*			cis	-164.3	167	2.6	-15.3	0	0	0	0	111.1
130	N	26.8	Very low	26.5	Very low	153 Å²	153	136.5 Å²	136.5	82%	0.818	77%	0.771	S	S	*	*			trans	65.7	161.5	158.6	-84.7	-5.9	0	0	0	119.3
131	S	25.9	Very low	26.6	Very low	114 Å²	114	141 Å²	141	80%	0.797	78%	0.779	S	S	*	*			cis	-170.1	172.8	-12.3	46.4	0	0	0	0	108
132	G	24.5	Very low	26.1	Very low	61 Å²	61	143.9 Å²	143.9	63%	0.629	78%	0.782	S	S	*	*			cis	164.2	177.9	1.3	0	0	0	0	0	110.6
133	Q	27.4	Very low	26.3	Very low	174 Å²	174	144.7 Å²	144.7	81%	0.813	78%	0.784	S	S	*	*			trans	66.8	151.4	177.9	-63.4	175.1	-80.8	0	0	116
134	E	26.4	Very low	26.5	Very low	167 Å²	167	144.4 Å²	144.4	78%	0.78	78%	0.782	S	S	*	*			cis	-152.8	-174.4	-9.9	-125.5	159.1	-144.5	0	0	111.7
135	E	26.8	Very low	26.5	Very low	171 Å²	171	147 Å²	147	80%	0.799	79%	0.785	S	S	*	*			trans	-86.3	153.1	-166.2	-53.5	-178.8	133.5	0	0	116.8
136	M	25.9	Very low	27	Very low	154 Å²	154	143.3 Å²	143.3	76%	0.759	79%	0.787	S	S	*	*				161.2	137.1	111.2	-86.1	-159.6	-175	0	0	115.1
137	I	28.1	Very low	27	Very low	149 Å²	149	145.9 Å²	145.9	76%	0.764	80%	0.801	S	S	*	*			trans	55.6	128.5	139.4	-59.7	173.8	0	0	0	118.4
138	S	22.1	Very low	27.2	Very low	107 Å²	107	143.8 Å²	143.8	75%	0.748	81%	0.809	S	S	*	*			cis	-166.4	152.6	-3.8	54	0	0	0	0	111.9
139	S	23.8	Very low	27.8	Very low	124 Å²	124	148.5 Å²	148.5	87%	0.867	82%	0.821	S	S	*	*			trans	-159.9	150	144.3	47.7	0	0	0	0	110.6
140	T	25.1	Very low	28	Very low	138 Å²	138	150.7 Å²	150.7	85%	0.847	83%	0.828	S	S	*	*			trans	-123.1	133.8	-175.2	47.7	0	0	0	0	111.3
141	E	26.1	Very low	28.3	Very low	201 Å²	201	155.2 Å²	155.2	94%	0.939	83%	0.834	S	S	*	*			trans	-155.3	133.6	158	-116.4	165.6	-151.9	0	0	109
142	E	27.6	Very low	29	Very low	194 Å²	194	157.3 Å²	157.3	91%	0.907	84%	0.835	S	S	*	*			trans	-108.5	151.3	176.4	-79.2	-166.1	136.9	0	0	111.1
143	P	32	Very low	29.6	Very low	127 Å²	127	161 Å²	161	83%	0.825	85%	0.845	S	S	*	*			trans	-94.2	138.1	174.1	35.8	-31.4	0	0	0	112.5
144	A	27.3	Very low	30	Very low	94 Å²	94	160 Å²	160	78%	0.777	85%	0.845	S	S	*	*			trans	-148.6	167.7	173.4	0	0	0	0	0	113.3
145	E	29.8	Very low	30.5	Very low	187 Å²	187	156.4 Å²	156.4	87%	0.874	84%	0.838	S	S	*	*			trans	70	100.2	167.5	-55.6	-164.4	165.5	0	0	118.9
146	V	35.9	Very low	30.9	Very low	145 Å²	145	155.8 Å²	155.8	88%	0.879	84%	0.84	S	S	*	*			trans	-125.7	83.2	154.7	-179.6	0	0	0	0	108.5
147	E	29	Very low	31.5	Very low	196 Å²	196	156.2 Å²	156.2	92%	0.916	85%	0.845	S	S	*	*			trans	-166.8	100	152.8	-116	167.2	-166.6	0	0	111.6
148	A	28.6	Very low	32.1	Very low	105 Å²	105	154.2 Å²	154.2	87%	0.868	84%	0.844	S	S	*	*			trans	-137.8	57.3	179.4	0	0	0	0	0	111.4
149	R	37.4	Very low	33.2	Very low	237 Å²	237	161 Å²	161	89%	0.894	85%	0.853	S	S	*	*			trans	-127.9	87.6	171.5	-80	-174.6	171.2	177.9	-2	110.2
150	D	31.4	Very low	34	Very low	167 Å²	167	164.2 Å²	164.2	89%	0.893	86%	0.856	S	S	*	*			trans	-179.7	71.3	140.1	-90.8	-13.5	0	0	0	110.9
151	R	32.8	Very low	34.9	Very low	248 Å²	248	165.2 Å²	165.2	94%	0.936	86%	0.857	S	S	*	*			trans	-129.7	71.9	168.7	-85.8	-167.4	170.5	-174.7	0.1	111.2
152	L	40.8	Very low	35.7	Very low	157 Å²	157	161.9 Å²	161.9	82%	0.822	85%	0.85	S	S	*	*			trans	-142.3	73.5	173.2	-85.7	179.2	0	0	0	113.4
153	V	38	Very low	36.9	Very low	138 Å²	138	161 Å²	161	84%	0.836	85%	0.852	S	S	*	*	S	Bend	trans	-151.5	126.3	137	-176.2	0	0	0	0	108.1
154	L	35	Very low	37.9	Very low	155 Å²	155	158.3 Å²	158.3	81%	0.812	84%	0.836	S	S	*	*	S	Bend	trans	150.2	1.6	152.9	-85.5	169.1	0	0	0	115.2
155	S	36.5	Very low	39.3	Very low	91 Å²	91	159.6 Å²	159.6	64%	0.636	84%	0.84	S	S	*	*	S	Bend	trans	-90.2	-6	-179.1	51.1	0	0	0	0	116.3
156	N	35.8	Very low	41	Very low	157 Å²	157	155.3 Å²	155.3	84%	0.84	82%	0.823	S	S	*	*			trans	-107.8	49.6	-169.9	-79.9	-25	0	0	0	114.2
157	L	39.5	Very low	42.7	Very low	164 Å²	164	157.8 Å²	157.8	86%	0.859	82%	0.824	S	S	*	*			trans	-123.2	40.4	175.3	-92.2	170.6	0	0	0	113.7
158	S	39.9	Very low	45	Very low	106 Å²	106	157.2 Å²	157.2	74%	0.741	82%	0.819	S	S	*	*			trans	-149.9	65.2	175.5	50.1	0	0	0	0	112.8
159	R	45.9	Very low	47.7	Very low	249 Å²	249	161.2 Å²	161.2	94%	0.94	82%	0.817	S	S	*	*			trans	-134.9	75.8	172.3	-119.4	-171.1	-176.7	-163.1	1.1	114.3
160	M	39.7	Very low	49.9	Very low	192 Å²	192	158.3 Å²	158.3	95%	0.946	81%	0.814	S	S	*	*	S	Bend	trans	-155.8	135.4	142	-106.9	171.2	-166.8	0	0	110.2
161	N	44.2	Very low	52.5	Low	159 Å²	159	152.4 Å²	152.4	85%	0.85	79%	0.788	S	S	*	*			trans	-27.2	134	-172.2	-58.1	-13.3	0	0	0	119.2
162	T	42.4	Very low	54.8	Low	131 Å²	131	146.2 Å²	146.2	80%	0.804	78%	0.779	S	S	*	*				-154.9	168.3	102.5	21.9	0	0	0	0	110.9	S164	T162-S164 PolarHBondContact O-N 2.92Å
163	N	52.7	Low	56.9	Low	175 Å²	175	143.6 Å²	143.6	94%	0.936	77%	0.765	S	S	*	*			trans	-78.1	107.5	176	-73.9	-10.4	0	0	0	111.1
164	S	52.9	Low	59.4	Low	72 Å²	72	142.6 Å²	142.6	50%	0.503	75%	0.751	S	S	.	*			trans	-143	142	166.7	45.3	0	0	0	0	110	T162 D166	T162-S164 PolarHBondContact O-N 2.92Å; S164-D166 VanDerWaalsContact C-N 3.33Å; S164-D166 WeakPolarHBondContact CB-OD1 3.46Å; S164-D166 VanDerWaalsContact CB-OD2 3.28Å; S164-D166 WeakPolarHBondContact CB-OD2 3.3Å; S164-D166 PolarHBondContact O-N 3.01Å; S164-D166 PolarHBondContact OG-OD2 2.81Å
165	S	57.7	Low	61.9	Low	121 Å²	121	138.2 Å²	138.2	85%	0.846	74%	0.737	S	S	*	*			trans	-93.4	66.7	176.8	57.8	0	0	0	0	109.5
166	D	65.6	Low	64.3	Low	97 Å²	97	137.7 Å²	137.7	52%	0.519	73%	0.725	S	S	.	*			trans	-81.9	118.8	-171.4	-61.6	-37.5	0	0	0	111.6	S164 F168	S164-D166 VanDerWaalsContact C-N 3.33Å; S164-D166 WeakPolarHBondContact CB-OD1 3.46Å; S164-D166 VanDerWaalsContact CB-OD2 3.28Å; S164-D166 WeakPolarHBondContact CB-OD2 3.3Å; S164-D166 PolarHBondContact O-N 3.01Å; S164-D166 PolarHBondContact OG-OD2 2.81Å; D166-F168 HydrophobicContact CB-CD2 4.44Å; D166-F168 HydrophobicContact CB-CE2 3.69Å; D166-F168 HydrophobicContact CB-CZ 3.83Å; D166-F168 VanDerWaalsContact O-CD2 3.28Å; D166-F168 WeakPolarHBondContact O-CD2 3.37Å; D166-F168 WeakPolarHBondContact O-CE2 3.28Å
167	E	70.5	Confident	66.8	Low	196 Å²	196	135.4 Å²	135.4	92%	0.916	71%	0.709	S	S	*	*			trans	-83.3	117	171	-67.6	-171	155.6	0	0	110.2
168	F	78.4	Confident	69.2	Low	185 Å²	185	129.8 Å²	129.8	81%	0.811	68%	0.682	S	S	*	*			trans	-96	109.6	-179.7	-66.4	-87	0	0	0	111.3	D166	D166-F168 HydrophobicContact CB-CD2 4.44Å; D166-F168 HydrophobicContact CB-CE2 3.69Å; D166-F168 HydrophobicContact CB-CZ 3.83Å; D166-F168 VanDerWaalsContact O-CD2 3.28Å; D166-F168 WeakPolarHBondContact O-CD2 3.37Å; D166-F168 WeakPolarHBondContact O-CE2 3.28Å
169	F	84.2	Confident	71.5	Confident	188 Å²	188	128.3 Å²	128.3	83%	0.825	66%	0.662	S	S	*	*			trans	-85	125.6	171	174.2	-104.5	0	0	0	111.3	A171	F169-A171 HydrophobicContact CE1-CB 3.82Å; F169-A171 HydrophobicContact CZ-CB 4.03Å
170	Q	84.2	Confident	73.6	Confident	176 Å²	176	123.9 Å²	123.9	82%	0.822	65%	0.645	S	S	*	*			trans	-119.1	110.9	174.1	-173.9	176.7	7.2	0	0	110.5	T172	Q170-T172 PolarHBondContact O-N 2.61Å
171	A	84.8	Confident	76	Confident	43 Å²	43	120.6 Å²	120.6	36%	0.355	63%	0.626	S	S	.	*			trans	-74.4	114.3	174.6	0	0	0	0	0	111.2	F169 H174	F169-A171 HydrophobicContact CE1-CB 3.82Å; F169-A171 HydrophobicContact CZ-CB 4.03Å; A171-H174 HydrophobicContact CB-CB 3.91Å; A171-H174 WeakPolarHBondContact O-CB 3.29Å
172	T	81.5	Confident	78.3	Confident	119 Å²	119	115.7 Å²	115.7	73%	0.73	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.6	142.5	171.2	44.6	0	0	0	0	110.8	Q170 H174	Q170-T172 PolarHBondContact O-N 2.61Å; T172-H174 PolarHBondContact O-N 2.92Å
173	N	86.4	Confident	80.6	Confident	102 Å²	102	111.4 Å²	111.4	55%	0.545	57%	0.569	S	S	.	*	T	Hydrogen-bonded Turn	trans	55.1	16.9	-179.4	-59.4	29.8	0	0	0	115.9	A175 E176 Q177	N173-A175 VanDerWaalsContact C-N 3.3Å; N173-A175 PolarHBondContact O-N 2.81Å; N173-E176 HydrophobicContact CB-CB 4.41Å; N173-E176 PolarHBondContact ND2-OE2 2.94Å; N173-E176 PolarHBondContact O-N 3.49Å; N173-E176 VanDerWaalsContact O-N 3.16Å; N173-Q177 WeakPolarHBondContact O-CG 3.4Å; N173-Q177 PolarHBondContact O-N 3.45Å
174	H	90.5	Very high	82.4	Confident	117 Å²	117	106.1 Å²	106.1	54%	0.542	54%	0.543	S	S	.	.	H	α-helix	trans	-56.2	-40.1	179.8	176.4	62.2	0	0	0	113.6	A171 T172 T178	A171-H174 HydrophobicContact CB-CB 3.91Å; A171-H174 WeakPolarHBondContact O-CB 3.29Å; T172-H174 PolarHBondContact O-N 2.92Å; H174-T178 VanDerWaalsContact O-CB 3.31Å; H174-T178 WeakPolarHBondContact O-CB 3.37Å; H174-T178 PolarHBondContact O-N 2.86Å; H174-T178 PolarHBondContact O-OG1 3.44Å
175	A	86.4	Confident	84.3	Confident	63 Å²	63	107 Å²	107	52%	0.521	54%	0.536	S	S	.	.	H	α-helix	trans	-62.8	-49.7	176.3	0	0	0	0	0	111.5	N173 Q177 T178 F179	N173-A175 VanDerWaalsContact C-N 3.3Å; N173-A175 PolarHBondContact O-N 2.81Å; A175-Q177 PolarHBondContact O-N 2.87Å; A175-T178 WeakPolarHBondContact O-CA 3.43Å; A175-T178 WeakPolarHBondContact O-CB 3.43Å; A175-T178 PolarHBondContact O-N 2.95Å; A175-F179 WeakPolarHBondContact O-CD2 3.48Å; A175-F179 PolarHBondContact O-N 3.3Å
176	E	86.9	Confident	85.9	Confident	80 Å²	80	102.4 Å²	102.4	37%	0.374	50%	0.502	S	S	.	.	H	α-helix	trans	-59.7	-47	179.6	-167.7	-157.8	164.5	0	0	112	N173 T178 F179 R180	N173-E176 HydrophobicContact CB-CB 4.41Å; N173-E176 PolarHBondContact ND2-OE2 2.94Å; N173-E176 PolarHBondContact O-N 3.49Å; N173-E176 VanDerWaalsContact O-N 3.16Å; E176-T178 PolarHBondContact O-N 3.49Å; E176-F179 PolarHBondContact O-N 3.41Å; E176-R180 WeakPolarHBondContact O-CG 3.37Å; E176-R180 PolarHBondContact O-N 2.89Å; E176-R180 IonicContact OE1-CZ 3.75Å; E176-R180 VanDerWaalsContact OE1-CZ 3.28Å; E176-R180 IonicContact OE1-NE 2.78Å; E176-R180 PolarHBondContact OE1-NE 2.73Å; E176-R180 VanDerWaalsContact OE1-NE 3.14Å; E176-R180 IonicContact OE1-NH2 3.63Å; E176-R180 PolarHBondContact OE1-NH2 3.26Å
177	Q	87.8	Confident	87	Confident	109 Å²	109	103.7 Å²	103.7	51%	0.509	51%	0.505	S	S	.	.	H	α-helix	trans	-63.9	-26.5	176	-66.9	-178.4	14.7	0	0	112.9	N173 A175 K181	N173-Q177 WeakPolarHBondContact O-CG 3.4Å; N173-Q177 PolarHBondContact O-N 3.45Å; A175-Q177 PolarHBondContact O-N 2.87Å; Q177-K181 WeakPolarHBondContact O-CG 3.29Å
178	T	89.7	Confident	88	Confident	45 Å²	45	100 Å²	100	28%	0.276	49%	0.488	S	S	.	.	H	α-helix	trans	-78.9	-44.5	176.2	-61.3	0	0	0	0	111.2	H174 A175 E176 R180 K181 M182	H174-T178 VanDerWaalsContact O-CB 3.31Å; H174-T178 WeakPolarHBondContact O-CB 3.37Å; H174-T178 PolarHBondContact O-N 2.86Å; H174-T178 PolarHBondContact O-OG1 3.44Å; A175-T178 WeakPolarHBondContact O-CA 3.43Å; A175-T178 WeakPolarHBondContact O-CB 3.43Å; A175-T178 PolarHBondContact O-N 2.95Å; E176-T178 PolarHBondContact O-N 3.49Å; T178-R180 PolarHBondContact O-N 3.09Å; T178-K181 WeakPolarHBondContact O-CB 3.28Å; T178-K181 PolarHBondContact O-N 3.37Å; T178-K181 VanDerWaalsContact O-N 3.11Å; T178-M182 HydrophobicContact CG2-CE 3.83Å; T178-M182 HydrophobicContact CG2-SD 4.41Å; T178-M182 WeakPolarHBondContact O-CG 3.43Å; T178-M182 PolarHBondContact O-N 3.2Å
179	F	89.8	Confident	88.6	Confident	76 Å²	76	98.5 Å²	98.5	33%	0.333	48%	0.48	S	S	.	.	H	α-helix	trans	-62.3	-42.3	175	-84.8	-72	0	0	0	112.5	A175 E176 K181 M182 E183 V209	A175-F179 WeakPolarHBondContact O-CD2 3.48Å; A175-F179 PolarHBondContact O-N 3.3Å; E176-F179 PolarHBondContact O-N 3.41Å; F179-K181 PolarHBondContact O-N 2.91Å; F179-M182 HydrophobicContact CD1-SD 4.21Å; F179-M182 HydrophobicContact CE1-SD 4.36Å; F179-M182 CarbonylContact O-C 3.59Å; F179-M182 WeakPolarHBondContact O-CA 3.34Å; F179-M182 WeakPolarHBondContact O-CB 3.35Å; F179-M182 PolarHBondContact O-N 3.39Å; F179-E183 PolarHBondContact O-N 3.27Å; F179-V209 HydrophobicContact CE1-CG1 4.38Å
180	R	89.9	Confident	88.8	Confident	156 Å²	156	94.2 Å²	94.2	59%	0.589	46%	0.463	S	S	*	.	H	α-helix	trans	-56.7	-32.9	172.6	-70.1	174.5	-177.5	-133.8	9	113	E176 T178 T184	E176-R180 WeakPolarHBondContact O-CG 3.37Å; E176-R180 PolarHBondContact O-N 2.89Å; E176-R180 IonicContact OE1-CZ 3.75Å; E176-R180 VanDerWaalsContact OE1-CZ 3.28Å; E176-R180 IonicContact OE1-NE 2.78Å; E176-R180 PolarHBondContact OE1-NE 2.73Å; E176-R180 VanDerWaalsContact OE1-NE 3.14Å; E176-R180 IonicContact OE1-NH2 3.63Å; E176-R180 PolarHBondContact OE1-NH2 3.26Å; T178-R180 PolarHBondContact O-N 3.09Å; R180-T184 PolarHBondContact O-N 3Å; R180-T184 VanDerWaalsContact O-N 3.13Å; R180-T184 PolarHBondContact O-OG1 3.02Å
181	K	90.1	Very high	89	Confident	122 Å²	122	92.2 Å²	92.2	53%	0.53	46%	0.458	S	S	.	.	H	α-helix	trans	-73.8	-40.7	173.4	-70.7	171	-177	174.5	0	112.1	Q177 T178 F179 E183 T184 Y185	Q177-K181 WeakPolarHBondContact O-CG 3.29Å; T178-K181 WeakPolarHBondContact O-CB 3.28Å; T178-K181 PolarHBondContact O-N 3.37Å; T178-K181 VanDerWaalsContact O-N 3.11Å; F179-K181 PolarHBondContact O-N 2.91Å; K181-E183 VanDerWaalsContact C-N 3.33Å; K181-E183 PolarHBondContact O-N 3.33Å; K181-T184 WeakPolarHBondContact O-CB 3.35Å; K181-T184 PolarHBondContact O-N 2.93Å; K181-T184 VanDerWaalsContact O-N 3.15Å; K181-Y185 WeakPolarHBondContact O-CD2 3.46Å; K181-Y185 PolarHBondContact O-N 3.48Å
182	M	91.8	Very high	89.2	Confident	57 Å²	57	92 Å²	92	28%	0.281	45%	0.453	S	S	.	.	H	α-helix	trans	-62.9	-38.8	174.7	-66.9	173.6	171.8	0	0	112	T178 F179 T184 Y185 L186 V209 Y251	T178-M182 HydrophobicContact CG2-CE 3.83Å; T178-M182 HydrophobicContact CG2-SD 4.41Å; T178-M182 WeakPolarHBondContact O-CG 3.43Å; T178-M182 PolarHBondContact O-N 3.2Å; F179-M182 HydrophobicContact CD1-SD 4.21Å; F179-M182 HydrophobicContact CE1-SD 4.36Å; F179-M182 CarbonylContact O-C 3.59Å; F179-M182 WeakPolarHBondContact O-CA 3.34Å; F179-M182 WeakPolarHBondContact O-CB 3.35Å; F179-M182 PolarHBondContact O-N 3.39Å; M182-T184 VanDerWaalsContact C-N 3.35Å; M182-Y185 PolarHBondContact O-N 2.82Å; M182-L186 PolarHBondContact O-N 3.2Å; M182-V209 HydrophobicContact SD-CG2 4Å; M182-Y251 HydrophobicContact CB-CD1 3.91Å; M182-Y251 HydrophobicContact CB-CE1 4.09Å
183	E	90.9	Very high	89.7	Confident	40 Å²	40	90.1 Å²	90.1	19%	0.187	44%	0.438	C	S	.	.	H	α-helix	trans	-61.4	-43.3	171.1	-161.9	-151.8	158.1	0	0	111.2	F179 K181 Y185 L186 Q187 H248 T252	F179-E183 PolarHBondContact O-N 3.27Å; K181-E183 VanDerWaalsContact C-N 3.33Å; K181-E183 PolarHBondContact O-N 3.33Å; E183-Y185 VanDerWaalsContact C-N 3.3Å; E183-Y185 PolarHBondContact O-N 3.1Å; E183-L186 WeakPolarHBondContact O-CB 3.33Å; E183-L186 PolarHBondContact O-N 3.16Å; E183-Q187 WeakPolarHBondContact O-CG 3.36Å; E183-Q187 PolarHBondContact O-N 3.38Å; E183-Q187 PolarHBondContact OE1-NE2 2.89Å; E183-H248 IonicContact OE1-CE1 3.37Å; E183-T252 HydrophobicContact CG-CG2 4.07Å
184	T	91.1	Very high	90	Very high	64 Å²	64	85.6 Å²	85.6	39%	0.393	41%	0.414	S	S	.	.	H	α-helix	trans	-59.6	-40.2	175	-53.4	0	0	0	0	111.6	R180 K181 M182 H188	R180-T184 PolarHBondContact O-N 3Å; R180-T184 VanDerWaalsContact O-N 3.13Å; R180-T184 PolarHBondContact O-OG1 3.02Å; K181-T184 WeakPolarHBondContact O-CB 3.35Å; K181-T184 PolarHBondContact O-N 2.93Å; K181-T184 VanDerWaalsContact O-N 3.15Å; M182-T184 VanDerWaalsContact C-N 3.35Å; T184-H188 PolarHBondContact O-N 3.38Å; T184-H188 PolarHBondContact O-ND1 3.47Å
185	Y	92	Very high	90.1	Very high	92 Å²	92	81.9 Å²	81.9	36%	0.361	40%	0.398	S	S	.	.	H	α-helix	trans	-66.2	-41.7	174.9	-60.6	-36.9	0	0	0	112.4	K181 M182 E183 Q187 H188 K189 Q190	K181-Y185 WeakPolarHBondContact O-CD2 3.46Å; K181-Y185 PolarHBondContact O-N 3.48Å; M182-Y185 PolarHBondContact O-N 2.82Å; E183-Y185 VanDerWaalsContact C-N 3.3Å; E183-Y185 PolarHBondContact O-N 3.1Å; Y185-Q187 PolarHBondContact O-N 3.36Å; Y185-H188 CarbonylContact O-C 3.57Å; Y185-H188 PolarHBondContact O-N 2.64Å; Y185-K189 PolarHBondContact O-N 2.94Å; Y185-Q190 HydrophobicContact CD1-CB 4.35Å; Y185-Q190 PolarHBondContact O-N 3.3Å
186	L	91.1	Very high	90.4	Very high	24 Å²	24	78.9 Å²	78.9	13%	0.126	37%	0.374	C	S	.	.	H	α-helix	trans	-57	-49	174.1	-174.7	77.5	0	0	0	111.6	M182 E183 H188 K189 P204 Y251	M182-L186 PolarHBondContact O-N 3.2Å; E183-L186 WeakPolarHBondContact O-CB 3.33Å; E183-L186 PolarHBondContact O-N 3.16Å; L186-H188 VanDerWaalsContact C-N 3.28Å; L186-H188 PolarHBondContact O-N 3.27Å; L186-K189 PolarHBondContact O-N 3.19Å; L186-P204 VanDerWaalsContact CD1-O 3.23Å; L186-P204 WeakPolarHBondContact CD1-O 3.23Å; L186-Y251 HydrophobicContact CB-CE1 4.31Å; L186-Y251 HydrophobicContact CD1-CE2 3.97Å; L186-Y251 HydrophobicContact CD2-CD1 4.5Å; L186-Y251 HydrophobicContact CD2-CD2 3.66Å; L186-Y251 HydrophobicContact CD2-CE2 3.76Å; L186-Y251 HydrophobicContact CD2-CG 4.07Å; L186-Y251 HydrophobicContact CG-CE2 4.39Å
187	Q	89.8	Confident	90.6	Very high	124 Å²	124	76.5 Å²	76.5	58%	0.579	36%	0.363	S	S	*	.	H	α-helix	trans	-59.1	-38.5	178.5	-69	174.2	13.4	0	0	112.2	E183 Y185 K189	E183-Q187 WeakPolarHBondContact O-CG 3.36Å; E183-Q187 PolarHBondContact O-N 3.38Å; E183-Q187 PolarHBondContact OE1-NE2 2.89Å; Y185-Q187 PolarHBondContact O-N 3.36Å; Q187-K189 VanDerWaalsContact C-N 3.34Å
188	H	91.3	Very high	90.8	Very high	119 Å²	119	71.3 Å²	71.3	55%	0.551	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	1.7	177.3	-66.5	84.6	0	0	0	114.1	T184 Y185 L186 Q190	T184-H188 PolarHBondContact O-N 3.38Å; T184-H188 PolarHBondContact O-ND1 3.47Å; Y185-H188 CarbonylContact O-C 3.57Å; Y185-H188 PolarHBondContact O-N 2.64Å; L186-H188 VanDerWaalsContact C-N 3.28Å; L186-H188 PolarHBondContact O-N 3.27Å; H188-Q190 HydrophobicContact CB-CG 3.93Å; H188-Q190 PolarHBondContact O-N 3.37Å
189	K	90.5	Very high	90.6	Very high	152 Å²	152	72 Å²	72	66%	0.661	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	31.7	-174.2	-52.3	-174.5	-178.9	-176.4	0	113.8	Y185 L186 Q187 P204	Y185-K189 PolarHBondContact O-N 2.94Å; L186-K189 PolarHBondContact O-N 3.19Å; Q187-K189 VanDerWaalsContact C-N 3.34Å; K189-P204 HydrophobicContact CD-CG 4.27Å; K189-P204 HydrophobicContact CG-CG 4.13Å
190	Q	88.2	Confident	90.4	Very high	98 Å²	98	76.3 Å²	76.3	46%	0.458	38%	0.382	S	S	.	.			trans	-85.9	143.5	175.7	-66.9	177.7	-8.3	0	0	109.6	Y185 H188 C192 H206	Y185-Q190 HydrophobicContact CD1-CB 4.35Å; Y185-Q190 PolarHBondContact O-N 3.3Å; H188-Q190 HydrophobicContact CB-CG 3.93Å; H188-Q190 PolarHBondContact O-N 3.37Å; Q190-C192 PolarHBondContact O-N 3.22Å; Q190-C192 PolarHBondContact O-SG 3.38Å; Q190-C192 VanDerWaalsContact O-SG 3.37Å; Q190-H206 PolarHBondContact O-CE1 2.59Å; Q190-H206 PolarHBondContact O-NE2 3.13Å; Q190-H206 VanDerWaalsContact O-NE2 3.13Å
191	L	88.9	Confident	90.3	Very high	135 Å²	135	73.1 Å²	73.1	71%	0.707	37%	0.373	S	S	*	.	S	Bend	trans	56.3	10	174.7	-54.6	177.7	0	0	0	116.8	D193 H206	L191-D193 PolarHBondContact O-N 3.08Å; L191-H206 PolarHBondContact O-CD2 3.44Å
192	C	89.6	Confident	90.4	Very high	38 Å²	38	72.6 Å²	72.6	26%	0.257	37%	0.371	S	S	.	.			trans	-69.8	121.1	177	-59.6	0	0	0	0	110.4	Q190 P204 A205 H206	Q190-C192 PolarHBondContact O-N 3.22Å; Q190-C192 PolarHBondContact O-SG 3.38Å; Q190-C192 VanDerWaalsContact O-SG 3.37Å; C192-P204 HydrophobicContact CB-CB 4.1Å; C192-A205 VanDerWaalsContact CA-O 3.3Å; C192-A205 WeakPolarHBondContact CA-O 3.42Å; C192-A205 WeakPolarHBondContact CB-O 3.3Å; C192-H206 PolarHBondContact SG-CE1 3.36Å
193	D	91.1	Very high	90.5	Very high	79 Å²	79	70.7 Å²	70.7	42%	0.422	36%	0.362	S	S	.	.			trans	-113.1	9.6	-172.9	64.7	-13.8	0	0	0	113.2	L191 A205 H206 R207	L191-D193 PolarHBondContact O-N 3.08Å; D193-A205 PolarHBondContact N-O 3.27Å; D193-H206 VanDerWaalsContact OD1-CA 3.23Å; D193-H206 WeakPolarHBondContact OD1-CA 3.43Å; D193-R207 PolarHBondContact O-NE 3.48Å; D193-R207 VanDerWaalsContact O-NE 3.17Å; D193-R207 WeakPolarHBondContact OD1-CG 3.48Å; D193-R207 PolarHBondContact OD1-N 2.61Å; D193-R207 WeakPolarHBondContact OD2-CB 3.25Å; D193-R207 WeakPolarHBondContact OD2-CD 3.23Å
194	V	92.2	Very high	90.6	Very high	7 Å²	7	70 Å²	70	4%	0.042	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	145.8	170.2	63.8	0	0	0	0	111.4	L196 A205 R207 L210 F221 I233	V194-L196 HydrophobicContact CG2-CD2 4.08Å; V194-A205 HydrophobicContact CG1-CB 4.07Å; V194-A205 PolarHBondContact N-O 2.92Å; V194-A205 PolarHBondContact O-N 2.91Å; V194-R207 HydrophobicContact CB-CG 3.75Å; V194-R207 HydrophobicContact CG1-CG 3.72Å; V194-L210 HydrophobicContact CG1-CD1 4.28Å; V194-F221 HydrophobicContact CG1-CZ 4.49Å; V194-F221 HydrophobicContact CG2-CZ 4.26Å; V194-I233 HydrophobicContact CG2-CD1 3.69Å; V194-I233 HydrophobicContact CG2-CG1 4.09Å
195	L	92.7	Very high	90.8	Very high	40 Å²	40	67 Å²	67	21%	0.209	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	107.7	175.3	-167.6	69.3	0	0	0	109.5	K202 P204 E231 E232 I233	L195-K202 HydrophobicContact CD1-CB 4.15Å; L195-K202 HydrophobicContact CD2-CB 4.16Å; L195-K202 HydrophobicContact CD2-CD 3.93Å; L195-K202 HydrophobicContact CD2-CG 4.39Å; L195-K202 HydrophobicContact CG-CB 4.22Å; L195-P204 HydrophobicContact CD1-CB 3.96Å; L195-E231 PolarHBondContact N-O 2.83Å; L195-E232 HydrophobicContact CB-CG 4.42Å; L195-E232 HydrophobicContact CD2-CG 4.11Å; L195-E232 VanDerWaalsContact CD2-OE1 3.3Å; L195-E232 WeakPolarHBondContact CD2-OE1 3.49Å; L195-E232 WeakPolarHBondContact O-CA 3.35Å; L195-I233 PolarHBondContact O-N 3.49Å
196	L	92.9	Very high	90.9	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	134	176.3	-56.2	-178.2	0	0	0	109.9	V194 I203 L210 F217 I233 M235 L243 V247	V194-L196 HydrophobicContact CG2-CD2 4.08Å; L196-I203 HydrophobicContact CB-CB 4.46Å; L196-I203 PolarHBondContact N-O 3.44Å; L196-I203 PolarHBondContact O-N 3.04Å; L196-L210 HydrophobicContact CD1-CD1 4.04Å; L196-F217 HydrophobicContact CD1-CE1 4.2Å; L196-F217 HydrophobicContact CD1-CZ 3.72Å; L196-F217 HydrophobicContact CD2-CE1 4.07Å; L196-F217 HydrophobicContact CD2-CZ 4.42Å; L196-I233 CarbonylContact C-O 3.58Å; L196-I233 WeakPolarHBondContact CA-O 3.47Å; L196-I233 HydrophobicContact CD2-CB 4.25Å; L196-M235 HydrophobicContact CB-CG 4.3Å; L196-M235 HydrophobicContact CD2-CG 4.45Å; L196-M235 HydrophobicContact CD2-SD 4.32Å; L196-L243 HydrophobicContact CB-CD2 4.19Å; L196-L243 HydrophobicContact CD1-CD1 4.24Å; L196-L243 HydrophobicContact CD1-CD2 4.41Å; L196-V247 HydrophobicContact CD1-CG2 3.99Å
197	I	92.3	Very high	90.9	Very high	30 Å²	30	64.2 Å²	64.2	15%	0.154	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	110.1	-178.8	-53.3	-177.2	0	0	0	109.4	H201 K202 E232 I233 M235	I197-H201 WeakPolarHBondContact CA-O 3.4Å; I197-K202 HydrophobicContact CG1-CG 4.25Å; I197-E232 HydrophobicContact CD1-CB 3.91Å; I197-E232 HydrophobicContact CD1-CG 4.36Å; I197-E232 WeakPolarHBondContact CD1-OE2 3.49Å; I197-I233 PolarHBondContact N-O 3.02Å; I197-M235 PolarHBondContact O-N 3.02Å
198	A	91	Very high	91	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	115.2	174.1	0	0	0	0	0	109.5	D200 H201 M235 P240 L243	A198-D200 PolarHBondContact O-N 3.37Å; A198-H201 PolarHBondContact N-O 3.43Å; A198-H201 VanDerWaalsContact N-O 3.1Å; A198-H201 PolarHBondContact O-N 3.13Å; A198-M235 HydrophobicContact CB-CB 4.44Å; A198-P240 HydrophobicContact CB-CB 4.29Å; A198-P240 HydrophobicContact CB-CG 4.38Å; A198-P240 WeakPolarHBondContact O-CG 3.4Å; A198-L243 HydrophobicContact CB-CD2 3.65Å
199	G	85.9	Confident	91.1	Very high	60 Å²	60	59.4 Å²	59.4	62%	0.619	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	-126.6	-166.6	0	0	0	0	0	110.9
200	D	84.4	Confident	91.2	Very high	166 Å²	166	52.3 Å²	52.3	89%	0.888	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-2.9	178.1	-54.5	-52.5	0	0	0	114.1	A198	A198-D200 PolarHBondContact O-N 3.37Å
201	H	89.3	Confident	91.4	Very high	88 Å²	88	49.1 Å²	49.1	41%	0.407	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	129.4	-175.1	-66.7	72.3	0	0	0	111.9	I197 A198 P240	I197-H201 WeakPolarHBondContact CA-O 3.4Å; A198-H201 PolarHBondContact N-O 3.43Å; A198-H201 VanDerWaalsContact N-O 3.1Å; A198-H201 PolarHBondContact O-N 3.13Å; H201-P240 HydrophobicContact CB-CB 3.96Å; H201-P240 WeakPolarHBondContact ND1-CB 3.31Å
202	K	92.2	Very high	91.5	Very high	111 Å²	111	46.2 Å²	46.2	48%	0.483	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	105.5	173.8	-66.9	-165	156.9	-155.9	0	110.2	L195 I197 E232	L195-K202 HydrophobicContact CD1-CB 4.15Å; L195-K202 HydrophobicContact CD2-CB 4.16Å; L195-K202 HydrophobicContact CD2-CD 3.93Å; L195-K202 HydrophobicContact CD2-CG 4.39Å; L195-K202 HydrophobicContact CG-CB 4.22Å; I197-K202 HydrophobicContact CG1-CG 4.25Å; K202-E232 IonicContact NZ-OE1 2.64Å; K202-E232 PolarHBondContact NZ-OE1 3.24Å; K202-E232 IonicContact NZ-OE2 2.61Å; K202-E232 PolarHBondContact NZ-OE2 2.89Å
203	I	93.6	Very high	91.6	Very high	18 Å²	18	47 Å²	47	9%	0.092	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	106.5	-173.6	-59	167.5	0	0	0	108.8	L196 L243 R244 V247	L196-I203 HydrophobicContact CB-CB 4.46Å; L196-I203 PolarHBondContact N-O 3.44Å; L196-I203 PolarHBondContact O-N 3.04Å; I203-L243 HydrophobicContact CD1-CB 4.21Å; I203-L243 HydrophobicContact CD1-CD2 4.01Å; I203-L243 HydrophobicContact CD1-CG 3.96Å; I203-R244 HydrophobicContact CD1-CB 3.92Å; I203-V247 HydrophobicContact CG2-CB 4.32Å; I203-V247 HydrophobicContact CG2-CG1 4.14Å; I203-V247 HydrophobicContact CG2-CG2 4.22Å
204	P	93.6	Very high	91.7	Very high	26 Å²	26	43.3 Å²	43.3	17%	0.169	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	145.7	175.2	30.6	-33.7	0	0	0	110	L186 K189 C192 L195	L186-P204 VanDerWaalsContact CD1-O 3.23Å; L186-P204 WeakPolarHBondContact CD1-O 3.23Å; K189-P204 HydrophobicContact CD-CG 4.27Å; K189-P204 HydrophobicContact CG-CG 4.13Å; C192-P204 HydrophobicContact CB-CB 4.1Å; L195-P204 HydrophobicContact CD1-CB 3.96Å
205	A	94.4	Very high	91.7	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	179.7	176	0	0	0	0	0	111.3	C192 D193 V194 L210 V247	C192-A205 VanDerWaalsContact CA-O 3.3Å; C192-A205 WeakPolarHBondContact CA-O 3.42Å; C192-A205 WeakPolarHBondContact CB-O 3.3Å; D193-A205 PolarHBondContact N-O 3.27Å; V194-A205 HydrophobicContact CG1-CB 4.07Å; V194-A205 PolarHBondContact N-O 2.92Å; V194-A205 PolarHBondContact O-N 2.91Å; A205-L210 HydrophobicContact CB-CD1 3.7Å; A205-L210 HydrophobicContact CB-CG 4.18Å; A205-V247 HydrophobicContact CB-CG1 4.17Å
206	H	93.9	Very high	91.6	Very high	23 Å²	23	49.5 Å²	49.5	11%	0.106	28%	0.278	C	S	.	.			trans	-115.5	123.4	173.8	-57.1	69.6	0	0	0	109.7	Q190 L191 C192 D193 L208 V209 L210 Y251	Q190-H206 PolarHBondContact O-CE1 2.59Å; Q190-H206 PolarHBondContact O-NE2 3.13Å; Q190-H206 VanDerWaalsContact O-NE2 3.13Å; L191-H206 PolarHBondContact O-CD2 3.44Å; C192-H206 PolarHBondContact SG-CE1 3.36Å; D193-H206 VanDerWaalsContact OD1-CA 3.23Å; D193-H206 WeakPolarHBondContact OD1-CA 3.43Å; H206-L208 VanDerWaalsContact C-N 3.29Å; H206-L208 PolarHBondContact O-N 2.94Å; H206-V209 HydrophobicContact CB-CB 4.42Å; H206-V209 HydrophobicContact CB-CG2 4.18Å; H206-V209 PolarHBondContact O-N 3.13Å; H206-V209 VanDerWaalsContact O-N 3.08Å; H206-L210 PolarHBondContact O-N 3.37Å; H206-L210 VanDerWaalsContact O-N 3.13Å; H206-Y251 VanDerWaalsContact CB-OH 3.26Å; H206-Y251 WeakPolarHBondContact CB-OH 3.15Å; H206-Y251 PolarHBondContact N-OH 3.11Å; H206-Y251 AromaticContact ND1-CE1 3.88Å; H206-Y251 AromaticContact ND1-CZ 3.76Å; H206-Y251 PolarHBondContact ND1-OH 3.39Å
207	R	91.9	Very high	91.6	Very high	35 Å²	35	49.7 Å²	49.7	13%	0.132	28%	0.278	C	S	.	.	H	α-helix	trans	-53.1	-44.9	-177.9	-70.5	166.5	159.8	-96.7	-5.6	112	D193 V194 V209 L210 S211 F221 E227 A228 Q230	D193-R207 PolarHBondContact O-NE 3.48Å; D193-R207 VanDerWaalsContact O-NE 3.17Å; D193-R207 WeakPolarHBondContact OD1-CG 3.48Å; D193-R207 PolarHBondContact OD1-N 2.61Å; D193-R207 WeakPolarHBondContact OD2-CB 3.25Å; D193-R207 WeakPolarHBondContact OD2-CD 3.23Å; V194-R207 HydrophobicContact CB-CG 3.75Å; V194-R207 HydrophobicContact CG1-CG 3.72Å; R207-V209 VanDerWaalsContact C-N 3.34Å; R207-V209 PolarHBondContact O-N 2.7Å; R207-L210 PolarHBondContact O-N 3.44Å; R207-S211 WeakPolarHBondContact O-CB 3.48Å; R207-S211 PolarHBondContact O-N 3.48Å; R207-S211 PolarHBondContact O-OG 3.47Å; R207-S211 VanDerWaalsContact O-OG 3.09Å; R207-F221 HydrophobicContact CB-CD2 3.7Å; R207-F221 HydrophobicContact CB-CE2 4.02Å; R207-F221 HydrophobicContact CB-CG 4.27Å; R207-F221 HydrophobicContact CG-CD1 4.49Å; R207-F221 HydrophobicContact CG-CD2 3.87Å; R207-F221 HydrophobicContact CG-CE2 3.9Å; R207-F221 HydrophobicContact CG-CG 4.2Å; R207-F221 HydrophobicContact CG-CZ 4.24Å; R207-F221 VanDerWaalsContact NH1-CD1 3.32Å; R207-E227 PolarHBondContact NH2-O 3.34Å; R207-A228 PolarHBondContact NH1-O 3.18Å; R207-A228 PolarHBondContact NH2-O 3.2Å; R207-Q230 PolarHBondContact NH2-O 3.37Å
208	L	91.1	Very high	91.5	Very high	133 Å²	133	49.3 Å²	49.3	70%	0.696	28%	0.28	S	S	*	.	H	α-helix	trans	-59.3	-40.4	179	-179.3	62.6	0	0	0	113.2	H206 A212	H206-L208 VanDerWaalsContact C-N 3.29Å; H206-L208 PolarHBondContact O-N 2.94Å; L208-A212 WeakPolarHBondContact O-CB 3.26Å; L208-A212 PolarHBondContact O-N 3.02Å; L208-A212 VanDerWaalsContact O-N 3.13Å
209	V	92.6	Very high	91.4	Very high	8 Å²	8	51.8 Å²	51.8	5%	0.048	30%	0.301	C	S	.	.	H	α-helix	trans	-73.6	-42.3	-178.9	177.2	0	0	0	0	110.4	F179 M182 H206 R207 A212 V213 A250 Y251	F179-V209 HydrophobicContact CE1-CG1 4.38Å; M182-V209 HydrophobicContact SD-CG2 4Å; H206-V209 HydrophobicContact CB-CB 4.42Å; H206-V209 HydrophobicContact CB-CG2 4.18Å; H206-V209 PolarHBondContact O-N 3.13Å; H206-V209 VanDerWaalsContact O-N 3.08Å; R207-V209 VanDerWaalsContact C-N 3.34Å; R207-V209 PolarHBondContact O-N 2.7Å; V209-A212 PolarHBondContact O-N 3.1Å; V209-V213 WeakPolarHBondContact O-CG2 3.41Å; V209-V213 PolarHBondContact O-N 3.36Å; V209-A250 HydrophobicContact CG1-CB 4.34Å; V209-A250 VanDerWaalsContact CG1-O 3.26Å; V209-A250 WeakPolarHBondContact CG1-O 3.24Å; V209-Y251 HydrophobicContact CB-CE1 4.03Å; V209-Y251 HydrophobicContact CB-CE2 4.45Å; V209-Y251 HydrophobicContact CG1-CD1 4.08Å; V209-Y251 HydrophobicContact CG1-CD2 4.19Å; V209-Y251 HydrophobicContact CG1-CE1 3.81Å; V209-Y251 HydrophobicContact CG1-CE2 3.92Å; V209-Y251 HydrophobicContact CG1-CG 4.25Å; V209-Y251 HydrophobicContact CG2-CE1 3.8Å
210	L	92.8	Very high	91.6	Very high	4 Å²	4	50 Å²	50	2%	0.021	28%	0.277	C	S	.	.	H	α-helix	trans	-62.6	-45.8	175.6	-66.1	-178.2	0	0	0	111.8	V194 L196 A205 H206 R207 A212 V213 S214 F217 F221 V247 A250	V194-L210 HydrophobicContact CG1-CD1 4.28Å; L196-L210 HydrophobicContact CD1-CD1 4.04Å; A205-L210 HydrophobicContact CB-CD1 3.7Å; A205-L210 HydrophobicContact CB-CG 4.18Å; H206-L210 PolarHBondContact O-N 3.37Å; H206-L210 VanDerWaalsContact O-N 3.13Å; R207-L210 PolarHBondContact O-N 3.44Å; L210-A212 PolarHBondContact O-N 3.43Å; L210-V213 PolarHBondContact O-N 2.99Å; L210-S214 WeakPolarHBondContact O-CB 3.36Å; L210-S214 PolarHBondContact O-N 3.09Å; L210-F217 HydrophobicContact CB-CB 3.89Å; L210-F217 HydrophobicContact CB-CD2 3.78Å; L210-F217 HydrophobicContact CB-CE2 4.48Å; L210-F217 HydrophobicContact CB-CG 3.89Å; L210-F217 HydrophobicContact CD1-CD1 4.46Å; L210-F217 HydrophobicContact CD1-CD2 4.23Å; L210-F217 HydrophobicContact CD1-CE1 4.45Å; L210-F217 HydrophobicContact CD1-CE2 4.2Å; L210-F217 HydrophobicContact CD1-CG 4.37Å; L210-F217 HydrophobicContact CD1-CZ 4.32Å; L210-F217 HydrophobicContact CD2-CD2 4.22Å; L210-F217 HydrophobicContact CD2-CE2 4.18Å; L210-F217 HydrophobicContact CG-CD2 4.3Å; L210-F221 HydrophobicContact CB-CE2 4.1Å; L210-F221 HydrophobicContact CD1-CE2 4.18Å; L210-V247 HydrophobicContact CD2-CG2 4.3Å; L210-A250 HydrophobicContact CD2-CB 4.39Å
211	S	92.3	Very high	91.8	Very high	30 Å²	30	43.3 Å²	43.3	21%	0.21	24%	0.24	C	C	.	.	H	α-helix	trans	-63.4	-24.8	174.9	-64.1	0	0	0	0	114.2	R207 V213 F221	R207-S211 WeakPolarHBondContact O-CB 3.48Å; R207-S211 PolarHBondContact O-N 3.48Å; R207-S211 PolarHBondContact O-OG 3.47Å; R207-S211 VanDerWaalsContact O-OG 3.09Å; S211-V213 VanDerWaalsContact C-N 3.32Å; S211-F221 WeakPolarHBondContact OG-CD2 3.41Å
212	A	91.6	Very high	91.7	Very high	75 Å²	75	44.7 Å²	44.7	62%	0.62	25%	0.254	S	S	*	.	H	α-helix	trans	-80.5	-13.2	178.2	0	0	0	0	0	113.4	L208 V209 L210	L208-A212 WeakPolarHBondContact O-CB 3.26Å; L208-A212 PolarHBondContact O-N 3.02Å; L208-A212 VanDerWaalsContact O-N 3.13Å; V209-A212 PolarHBondContact O-N 3.1Å; L210-A212 PolarHBondContact O-N 3.43Å
213	V	91.6	Very high	91.2	Very high	53 Å²	53	41.9 Å²	41.9	32%	0.321	25%	0.249	S	C	.	.	H	α-helix	trans	-120.6	-21	-173.7	-177.9	0	0	0	0	112.4	V209 L210 S211 F249 A250 L274	V209-V213 WeakPolarHBondContact O-CG2 3.41Å; V209-V213 PolarHBondContact O-N 3.36Å; L210-V213 PolarHBondContact O-N 2.99Å; S211-V213 VanDerWaalsContact C-N 3.32Å; V213-F249 HydrophobicContact CG1-CE1 4.22Å; V213-A250 HydrophobicContact CB-CB 4.18Å; V213-A250 HydrophobicContact CG1-CB 4.14Å; V213-A250 HydrophobicContact CG2-CB 4.14Å; V213-L274 HydrophobicContact CG1-CD2 3.89Å; V213-L274 WeakPolarHBondContact O-CD2 3.44Å
214	S	94.6	Very high	90.4	Very high	2 Å²	2	48 Å²	48	1%	0.014	28%	0.281	C	S	.	.			trans	-132.7	121	-176.2	166.9	0	0	0	0	111.7	L210 Y216 F217 A218 L272	L210-S214 WeakPolarHBondContact O-CB 3.36Å; L210-S214 PolarHBondContact O-N 3.09Å; S214-Y216 PolarHBondContact O-N 2.95Å; S214-Y216 PolarHBondContact OG-N 3.45Å; S214-F217 PolarHBondContact O-N 2.85Å; S214-F217 PolarHBondContact OG-N 2.91Å; S214-F217 VanDerWaalsContact OG-N 3.16Å; S214-A218 WeakPolarHBondContact O-CB 3.42Å; S214-A218 PolarHBondContact O-N 3Å; S214-L272 PolarHBondContact OG-O 3.5Å
215	D	91.1	Very high	89.8	Confident	109 Å²	109	49.4 Å²	49.4	58%	0.583	29%	0.289	S	S	*	.	H	α-helix	trans	-62.5	-31.9	173.7	-67.3	-54.4	0	0	0	112.2	A218 A219 Q273	D215-A218 PolarHBondContact O-N 3.01Å; D215-A219 WeakPolarHBondContact O-CB 3.42Å; D215-A219 PolarHBondContact O-N 2.89Å; D215-Q273 HydrophobicContact CB-CB 4.48Å
216	Y	91.7	Very high	88.8	Confident	68 Å²	68	58.5 Å²	58.5	27%	0.267	32%	0.324	S	S	.	.	H	α-helix	trans	-62.2	-48.7	174.1	175.2	-88.8	0	0	0	111.8	S214 A219 M220 M235 L271 L272	S214-Y216 PolarHBondContact O-N 2.95Å; S214-Y216 PolarHBondContact OG-N 3.45Å; Y216-A219 PolarHBondContact O-N 3.15Å; Y216-M220 HydrophobicContact CD1-CE 4.49Å; Y216-M220 HydrophobicContact CE1-CE 3.47Å; Y216-M220 VanDerWaalsContact CE1-CE 3.47Å; Y216-M220 WeakPolarHBondContact O-CB 3.35Å; Y216-M220 PolarHBondContact O-N 3.29Å; Y216-M220 VanDerWaalsContact OH-CE 3.28Å; Y216-M220 WeakPolarHBondContact OH-CE 3.24Å; Y216-M235 HydrophobicContact CE1-CE 3.94Å; Y216-L271 WeakPolarHBondContact CD2-O 3.28Å; Y216-L272 HydrophobicContact CD1-CD2 3.65Å; Y216-L272 HydrophobicContact CE1-CD2 3.84Å; Y216-L272 HydrophobicContact CG-CD2 4.41Å
217	F	92.1	Very high	88	Confident	4 Å²	4	60.4 Å²	60.4	2%	0.018	33%	0.333	C	S	.	.	H	α-helix	trans	-70.9	-35	176.1	-73.2	-54.8	0	0	0	112.1	L196 L210 S214 A219 M220 F221 M235 L272	L196-F217 HydrophobicContact CD1-CE1 4.2Å; L196-F217 HydrophobicContact CD1-CZ 3.72Å; L196-F217 HydrophobicContact CD2-CE1 4.07Å; L196-F217 HydrophobicContact CD2-CZ 4.42Å; L210-F217 HydrophobicContact CB-CB 3.89Å; L210-F217 HydrophobicContact CB-CD2 3.78Å; L210-F217 HydrophobicContact CB-CE2 4.48Å; L210-F217 HydrophobicContact CB-CG 3.89Å; L210-F217 HydrophobicContact CD1-CD1 4.46Å; L210-F217 HydrophobicContact CD1-CD2 4.23Å; L210-F217 HydrophobicContact CD1-CE1 4.45Å; L210-F217 HydrophobicContact CD1-CE2 4.2Å; L210-F217 HydrophobicContact CD1-CG 4.37Å; L210-F217 HydrophobicContact CD1-CZ 4.32Å; L210-F217 HydrophobicContact CD2-CD2 4.22Å; L210-F217 HydrophobicContact CD2-CE2 4.18Å; L210-F217 HydrophobicContact CG-CD2 4.3Å; S214-F217 PolarHBondContact O-N 2.85Å; S214-F217 PolarHBondContact OG-N 2.91Å; S214-F217 VanDerWaalsContact OG-N 3.16Å; F217-A219 PolarHBondContact O-N 3.37Å; F217-M220 HydrophobicContact CD1-SD 4.28Å; F217-M220 PolarHBondContact O-N 3.48Å; F217-F221 HydrophobicContact CB-CD2 4.22Å; F217-F221 HydrophobicContact CB-CE2 3.89Å; F217-F221 HydrophobicContact CB-CZ 4.48Å; F217-F221 HydrophobicContact CD1-CE1 4.45Å; F217-F221 AromaticContact CD1-CE2 3.89Å; F217-F221 HydrophobicContact CD1-CE2 3.89Å; F217-F221 AromaticContact CD1-CZ 3.66Å; F217-F221 HydrophobicContact CD1-CZ 3.66Å; F217-F221 HydrophobicContact CE1-CZ 4.31Å; F217-F221 HydrophobicContact CG-CE2 4.15Å; F217-F221 HydrophobicContact CG-CZ 4.39Å; F217-F221 WeakPolarHBondContact O-CB 3.31Å; F217-F221 WeakPolarHBondContact O-CD2 3.37Å; F217-F221 WeakPolarHBondContact O-CG 3.47Å; F217-F221 PolarHBondContact O-N 2.87Å; F217-M235 HydrophobicContact CE1-CE 4.31Å; F217-M235 HydrophobicContact CE1-SD 4.47Å; F217-M235 HydrophobicContact CZ-CE 4.3Å; F217-L272 HydrophobicContact CE1-CD2 4.33Å; F217-L272 HydrophobicContact CE2-CD1 4.1Å; F217-L272 HydrophobicContact CE2-CD2 3.75Å; F217-L272 HydrophobicContact CE2-CG 4.41Å; F217-L272 HydrophobicContact CZ-CD1 4.4Å; F217-L272 HydrophobicContact CZ-CD2 3.62Å
218	A	90.7	Very high	87.2	Confident	22 Å²	22	59.5 Å²	59.5	18%	0.182	33%	0.333	C	S	.	.	H	α-helix	trans	-57.8	-49.3	172.5	0	0	0	0	0	111.2	S214 D215 F221 T222	S214-A218 WeakPolarHBondContact O-CB 3.42Å; S214-A218 PolarHBondContact O-N 3Å; D215-A218 PolarHBondContact O-N 3.01Å; A218-F221 PolarHBondContact O-N 3.19Å; A218-T222 WeakPolarHBondContact O-CB 3.5Å; A218-T222 WeakPolarHBondContact O-CG2 3.5Å; A218-T222 PolarHBondContact O-N 2.94Å; A218-T222 PolarHBondContact O-OG1 3.21Å
219	A	88.8	Confident	86.5	Confident	53 Å²	53	60.6 Å²	60.6	44%	0.438	33%	0.332	S	S	.	.	H	α-helix	trans	-61.8	-46.2	175	0	0	0	0	0	112	D215 Y216 F217 F221 S223	D215-A219 WeakPolarHBondContact O-CB 3.42Å; D215-A219 PolarHBondContact O-N 2.89Å; Y216-A219 PolarHBondContact O-N 3.15Å; F217-A219 PolarHBondContact O-N 3.37Å; A219-F221 VanDerWaalsContact C-N 3.31Å; A219-F221 PolarHBondContact O-N 3.47Å; A219-S223 VanDerWaalsContact O-CB 3.29Å; A219-S223 WeakPolarHBondContact O-CB 3.33Å; A219-S223 PolarHBondContact O-N 3.5Å; A219-S223 VanDerWaalsContact O-N 3.12Å; A219-S223 PolarHBondContact O-OG 3.18Å
220	M	88.9	Confident	86.1	Confident	23 Å²	23	63.8 Å²	63.8	11%	0.113	35%	0.346	C	S	.	.	H	α-helix	trans	-61.1	-35.3	179.6	-176.5	-177.7	-77.5	0	0	113.3	Y216 F217 V225 E227 A228 I233	Y216-M220 HydrophobicContact CD1-CE 4.49Å; Y216-M220 HydrophobicContact CE1-CE 3.47Å; Y216-M220 VanDerWaalsContact CE1-CE 3.47Å; Y216-M220 WeakPolarHBondContact O-CB 3.35Å; Y216-M220 PolarHBondContact O-N 3.29Å; Y216-M220 VanDerWaalsContact OH-CE 3.28Å; Y216-M220 WeakPolarHBondContact OH-CE 3.24Å; F217-M220 HydrophobicContact CD1-SD 4.28Å; F217-M220 PolarHBondContact O-N 3.48Å; M220-V225 VanDerWaalsContact O-CG2 3.28Å; M220-V225 WeakPolarHBondContact O-CG2 3.25Å; M220-E227 HydrophobicContact CG-CB 3.88Å; M220-E227 HydrophobicContact SD-CB 4.19Å; M220-A228 WeakPolarHBondContact O-CA 3.36Å; M220-A228 VanDerWaalsContact O-CB 3.29Å; M220-A228 WeakPolarHBondContact O-CB 3.36Å; M220-I233 HydrophobicContact CE-CG2 4.46Å; M220-I233 HydrophobicContact SD-CD1 4.02Å; M220-I233 HydrophobicContact SD-CG2 4.04Å
221	F	89.3	Confident	85.7	Confident	25 Å²	25	71.2 Å²	71.2	11%	0.11	38%	0.381	C	S	.	.	H	α-helix	trans	-99.1	-13.5	-174.5	-57.1	-26.8	0	0	0	114.5	V194 R207 L210 S211 F217 A218 A219 I233	V194-F221 HydrophobicContact CG1-CZ 4.49Å; V194-F221 HydrophobicContact CG2-CZ 4.26Å; R207-F221 HydrophobicContact CB-CD2 3.7Å; R207-F221 HydrophobicContact CB-CE2 4.02Å; R207-F221 HydrophobicContact CB-CG 4.27Å; R207-F221 HydrophobicContact CG-CD1 4.49Å; R207-F221 HydrophobicContact CG-CD2 3.87Å; R207-F221 HydrophobicContact CG-CE2 3.9Å; R207-F221 HydrophobicContact CG-CG 4.2Å; R207-F221 HydrophobicContact CG-CZ 4.24Å; R207-F221 VanDerWaalsContact NH1-CD1 3.32Å; L210-F221 HydrophobicContact CB-CE2 4.1Å; L210-F221 HydrophobicContact CD1-CE2 4.18Å; S211-F221 WeakPolarHBondContact OG-CD2 3.41Å; F217-F221 HydrophobicContact CB-CD2 4.22Å; F217-F221 HydrophobicContact CB-CE2 3.89Å; F217-F221 HydrophobicContact CB-CZ 4.48Å; F217-F221 HydrophobicContact CD1-CE1 4.45Å; F217-F221 AromaticContact CD1-CE2 3.89Å; F217-F221 HydrophobicContact CD1-CE2 3.89Å; F217-F221 AromaticContact CD1-CZ 3.66Å; F217-F221 HydrophobicContact CD1-CZ 3.66Å; F217-F221 HydrophobicContact CE1-CZ 4.31Å; F217-F221 HydrophobicContact CG-CE2 4.15Å; F217-F221 HydrophobicContact CG-CZ 4.39Å; F217-F221 WeakPolarHBondContact O-CB 3.31Å; F217-F221 WeakPolarHBondContact O-CD2 3.37Å; F217-F221 WeakPolarHBondContact O-CG 3.47Å; F217-F221 PolarHBondContact O-N 2.87Å; A218-F221 PolarHBondContact O-N 3.19Å; A219-F221 VanDerWaalsContact C-N 3.31Å; A219-F221 PolarHBondContact O-N 3.47Å; F221-I233 HydrophobicContact CE1-CD1 3.58Å; F221-I233 HydrophobicContact CZ-CD1 4.29Å
222	T	86.7	Confident	85.6	Confident	117 Å²	117	74.3 Å²	74.3	72%	0.718	39%	0.392	S	S	*	.	H	α-helix	trans	-108.3	-14.2	178.5	64.2	0	0	0	0	114.8	A218	A218-T222 WeakPolarHBondContact O-CB 3.5Å; A218-T222 WeakPolarHBondContact O-CG2 3.5Å; A218-T222 PolarHBondContact O-N 2.94Å; A218-T222 PolarHBondContact O-OG1 3.21Å
223	S	82.8	Confident	85.6	Confident	52 Å²	52	71 Å²	71	36%	0.364	36%	0.364	S	S	.	.	S	Bend	trans	-93.1	162.4	174.7	68.6	0	0	0	0	112.7	A219 V225 A228	A219-S223 VanDerWaalsContact O-CB 3.29Å; A219-S223 WeakPolarHBondContact O-CB 3.33Å; A219-S223 PolarHBondContact O-N 3.5Å; A219-S223 VanDerWaalsContact O-N 3.12Å; A219-S223 PolarHBondContact O-OG 3.18Å; S223-V225 PolarHBondContact O-N 3.49Å; S223-A228 VanDerWaalsContact O-CB 3.26Å; S223-A228 WeakPolarHBondContact O-CB 3.32Å
224	D	76.3	Confident	85.4	Confident	145 Å²	145	75.3 Å²	75.3	78%	0.775	38%	0.378	S	S	*	.	S	Bend	trans	-77.7	33.9	-177.4	-112.5	-38.5	0	0	0	114	K229	D224-K229 IonicContact OD1-NZ 2.6Å; D224-K229 PolarHBondContact OD1-NZ 2.8Å
225	V	80	Confident	85.1	Confident	56 Å²	56	75.6 Å²	75.6	34%	0.339	38%	0.38	S	S	.	.			trans	-75.9	166.9	172.8	-62.8	0	0	0	0	111.4	M220 S223 E227 A228	M220-V225 VanDerWaalsContact O-CG2 3.28Å; M220-V225 WeakPolarHBondContact O-CG2 3.25Å; S223-V225 PolarHBondContact O-N 3.49Å; V225-E227 WeakPolarHBondContact CB-OE2 3.26Å; V225-E227 HydrophobicContact CG2-CB 4.36Å; V225-A228 HydrophobicContact CG2-CB 4.02Å; V225-A228 WeakPolarHBondContact O-CB 3.44Å
226	R	74.1	Confident	84.8	Confident	191 Å²	191	76.9 Å²	76.9	72%	0.721	38%	0.382	S	S	*	.	S	Bend	trans	-73	-38.1	-174.1	-65.9	171.6	62.6	-151.4	-3	111.1	A228 K229	R226-A228 PolarHBondContact O-N 2.94Å; R226-K229 PolarHBondContact O-N 2.96Å
227	E	76.7	Confident	84.4	Confident	64 Å²	64	78 Å²	78	30%	0.299	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-61.7	-30.8	-179.6	-60.9	66.6	-149	0	0	111	R207 M220 V225 K229 Q230 I233	R207-E227 PolarHBondContact NH2-O 3.34Å; M220-E227 HydrophobicContact CG-CB 3.88Å; M220-E227 HydrophobicContact SD-CB 4.19Å; V225-E227 WeakPolarHBondContact CB-OE2 3.26Å; V225-E227 HydrophobicContact CG2-CB 4.36Å; E227-K229 PolarHBondContact O-N 3.25Å; E227-Q230 PolarHBondContact O-N 3.19Å; E227-I233 HydrophobicContact CB-CD1 4.44Å; E227-I233 WeakPolarHBondContact O-CD1 3.49Å
228	A	75.5	Confident	84.3	Confident	16 Å²	16	78.5 Å²	78.5	13%	0.132	42%	0.417	C	S	.	.	G	3₁₀ helix	trans	-56.9	-24.6	173.2	0	0	0	0	0	112.9	R207 M220 S223 V225 R226	R207-A228 PolarHBondContact NH1-O 3.18Å; R207-A228 PolarHBondContact NH2-O 3.2Å; M220-A228 WeakPolarHBondContact O-CA 3.36Å; M220-A228 VanDerWaalsContact O-CB 3.29Å; M220-A228 WeakPolarHBondContact O-CB 3.36Å; S223-A228 VanDerWaalsContact O-CB 3.26Å; S223-A228 WeakPolarHBondContact O-CB 3.32Å; V225-A228 HydrophobicContact CG2-CB 4.02Å; V225-A228 WeakPolarHBondContact O-CB 3.44Å; R226-A228 PolarHBondContact O-N 2.94Å
229	K	76.9	Confident	84.4	Confident	156 Å²	156	80.8 Å²	80.8	68%	0.678	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-116.9	14	-175.1	-64.9	160.5	-169.9	160.5	0	113.2	D224 R226 E227	D224-K229 IonicContact OD1-NZ 2.6Å; D224-K229 PolarHBondContact OD1-NZ 2.8Å; R226-K229 PolarHBondContact O-N 2.96Å; E227-K229 PolarHBondContact O-N 3.25Å
230	Q	84.6	Confident	84.6	Confident	74 Å²	74	79.6 Å²	79.6	35%	0.346	41%	0.414	S	S	.	.			trans	-106.4	137.8	179.3	-71.2	177.7	-63.9	0	0	112.6	R207 E227 I233	R207-Q230 PolarHBondContact NH2-O 3.37Å; E227-Q230 PolarHBondContact O-N 3.19Å; Q230-I233 HydrophobicContact CB-CG1 4.3Å
231	E	83.4	Confident	84.7	Confident	161 Å²	161	82.4 Å²	82.4	75%	0.752	43%	0.427	S	S	*	.	S	Bend	trans	-76.9	-40.4	174.4	-64.8	179.4	172.4	0	0	111.9	L195	L195-E231 PolarHBondContact N-O 2.83Å
232	E	90.4	Very high	85	Confident	95 Å²	95	81.4 Å²	81.4	44%	0.444	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	126.6	173.4	-58.2	-155.5	151.8	0	0	110.8	L195 I197 K202	L195-E232 HydrophobicContact CB-CG 4.42Å; L195-E232 HydrophobicContact CD2-CG 4.11Å; L195-E232 VanDerWaalsContact CD2-OE1 3.3Å; L195-E232 WeakPolarHBondContact CD2-OE1 3.49Å; L195-E232 WeakPolarHBondContact O-CA 3.35Å; I197-E232 HydrophobicContact CD1-CB 3.91Å; I197-E232 HydrophobicContact CD1-CG 4.36Å; I197-E232 WeakPolarHBondContact CD1-OE2 3.49Å; K202-E232 IonicContact NZ-OE1 2.64Å; K202-E232 PolarHBondContact NZ-OE1 3.24Å; K202-E232 IonicContact NZ-OE2 2.61Å; K202-E232 PolarHBondContact NZ-OE2 2.89Å
233	I	90.5	Very high	85.4	Confident	6 Å²	6	75.9 Å²	75.9	3%	0.031	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	124.8	-178.8	-58.7	-178.8	0	0	0	109.5	V194 L195 L196 I197 M220 F221 E227 Q230 M235	V194-I233 HydrophobicContact CG2-CD1 3.69Å; V194-I233 HydrophobicContact CG2-CG1 4.09Å; L195-I233 PolarHBondContact O-N 3.49Å; L196-I233 CarbonylContact C-O 3.58Å; L196-I233 WeakPolarHBondContact CA-O 3.47Å; L196-I233 HydrophobicContact CD2-CB 4.25Å; I197-I233 PolarHBondContact N-O 3.02Å; M220-I233 HydrophobicContact CE-CG2 4.46Å; M220-I233 HydrophobicContact SD-CD1 4.02Å; M220-I233 HydrophobicContact SD-CG2 4.04Å; F221-I233 HydrophobicContact CE1-CD1 3.58Å; F221-I233 HydrophobicContact CZ-CD1 4.29Å; E227-I233 HydrophobicContact CB-CD1 4.44Å; E227-I233 WeakPolarHBondContact O-CD1 3.49Å; Q230-I233 HydrophobicContact CB-CG1 4.3Å; I233-M235 HydrophobicContact CG2-SD 4.16Å
234	K	89.1	Confident	85.9	Confident	142 Å²	142	80 Å²	80	62%	0.617	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91	119.5	-177.3	-168.3	-171.5	179.4	-164.4	0	111.1	E236	K234-E236 HydrophobicContact CD-CG 4.02Å; K234-E236 WeakPolarHBondContact CD-OE1 3.4Å; K234-E236 VanDerWaalsContact CE-OE1 3.24Å; K234-E236 WeakPolarHBondContact CE-OE1 3.34Å; K234-E236 HydrophobicContact CG-CG 4.17Å; K234-E236 IonicContact NZ-OE1 2.77Å; K234-E236 PolarHBondContact NZ-OE1 3.26Å
235	M	88.4	Confident	86.7	Confident	9 Å²	9	75.2 Å²	75.2	4%	0.044	38%	0.375	C	S	.	.			trans	-94.6	94.1	177.9	-58	-53.2	-65.9	0	0	109.2	L196 I197 A198 Y216 F217 I233 V238 L243 L272	L196-M235 HydrophobicContact CB-CG 4.3Å; L196-M235 HydrophobicContact CD2-CG 4.45Å; L196-M235 HydrophobicContact CD2-SD 4.32Å; I197-M235 PolarHBondContact O-N 3.02Å; A198-M235 HydrophobicContact CB-CB 4.44Å; Y216-M235 HydrophobicContact CE1-CE 3.94Å; F217-M235 HydrophobicContact CE1-CE 4.31Å; F217-M235 HydrophobicContact CE1-SD 4.47Å; F217-M235 HydrophobicContact CZ-CE 4.3Å; I233-M235 HydrophobicContact CG2-SD 4.16Å; M235-V238 HydrophobicContact CB-CB 4.39Å; M235-V238 HydrophobicContact CB-CG2 4.05Å; M235-L243 HydrophobicContact CB-CD2 4.07Å; M235-L243 HydrophobicContact CG-CD2 3.85Å; M235-L272 HydrophobicContact CE-CD2 3.74Å
236	E	84.8	Confident	87.4	Confident	136 Å²	136	72.8 Å²	72.8	64%	0.636	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	143.3	178.1	-57	-158.6	152.8	0	0	111.6	K234 V238	K234-E236 HydrophobicContact CD-CG 4.02Å; K234-E236 WeakPolarHBondContact CD-OE1 3.4Å; K234-E236 VanDerWaalsContact CE-OE1 3.24Å; K234-E236 WeakPolarHBondContact CE-OE1 3.34Å; K234-E236 HydrophobicContact CG-CG 4.17Å; K234-E236 IonicContact NZ-OE1 2.77Å; K234-E236 PolarHBondContact NZ-OE1 3.26Å; E236-V238 VanDerWaalsContact C-N 3.26Å; E236-V238 PolarHBondContact O-N 2.97Å
237	G	82.5	Confident	88.4	Confident	90 Å²	90	63.9 Å²	63.9	93%	0.928	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	-4.5	-179.7	0	0	0	0	0	116.1
238	V	90.9	Very high	89.2	Confident	16 Å²	16	64.8 Å²	64.8	10%	0.097	33%	0.331	C	S	.	.			trans	-96.2	137.3	-178.1	-162.9	0	0	0	0	111.5	M235 E236 L243 A268 L271	M235-V238 HydrophobicContact CB-CB 4.39Å; M235-V238 HydrophobicContact CB-CG2 4.05Å; E236-V238 VanDerWaalsContact C-N 3.26Å; E236-V238 PolarHBondContact O-N 2.97Å; V238-L243 HydrophobicContact CG1-CB 3.89Å; V238-A268 HydrophobicContact CG1-CB 3.68Å; V238-L271 HydrophobicContact CG2-CD2 3.48Å; V238-L271 VanDerWaalsContact CG2-CD2 3.48Å
239	D	92.1	Very high	90.1	Very high	70 Å²	70	65.2 Å²	65.2	37%	0.374	33%	0.33	S	S	.	.			trans	-70	135.7	170.8	177	-91.3	0	0	0	111.3	E241 A242 L243	D239-E241 PolarHBondContact O-N 3.32Å; D239-E241 PolarHBondContact OD1-N 2.76Å; D239-A242 HydrophobicContact CB-CB 3.85Å; D239-A242 PolarHBondContact OD1-N 3.21Å; D239-L243 WeakPolarHBondContact O-CB 3.42Å; D239-L243 PolarHBondContact O-N 3.15Å
240	P	92.5	Very high	90.9	Very high	28 Å²	28	58.1 Å²	58.1	18%	0.182	30%	0.301	C	S	.	.	H	α-helix	trans	-65.3	-38.8	-173.9	-22.5	34.1	0	0	0	115.1	A198 H201 R244	A198-P240 HydrophobicContact CB-CB 4.29Å; A198-P240 HydrophobicContact CB-CG 4.38Å; A198-P240 WeakPolarHBondContact O-CG 3.4Å; H201-P240 HydrophobicContact CB-CB 3.96Å; H201-P240 WeakPolarHBondContact ND1-CB 3.31Å; P240-R244 VanDerWaalsContact O-CB 3.31Å; P240-R244 WeakPolarHBondContact O-CB 3.41Å; P240-R244 PolarHBondContact O-N 2.74Å
241	E	92.4	Very high	91.2	Very high	82 Å²	82	54.9 Å²	54.9	38%	0.383	29%	0.285	S	S	.	.	H	α-helix	trans	-82.3	-30	-178.3	-73.9	-66.3	122.2	0	0	111.4	D239 R244 S245	D239-E241 PolarHBondContact O-N 3.32Å; D239-E241 PolarHBondContact OD1-N 2.76Å; E241-R244 VanDerWaalsContact CD-NH1 3.32Å; E241-R244 PolarHBondContact O-N 3.09Å; E241-R244 WeakPolarHBondContact OE1-CD 3.35Å; E241-R244 IonicContact OE1-CZ 2.64Å; E241-R244 IonicContact OE1-NE 2.65Å; E241-R244 IonicContact OE1-NH1 2.96Å; E241-R244 PolarHBondContact OE1-NH1 3.46Å; E241-R244 IonicContact OE2-CZ 2.64Å; E241-R244 IonicContact OE2-NH1 2.9Å; E241-R244 PolarHBondContact OE2-NH1 3.19Å; E241-S245 WeakPolarHBondContact O-CB 3.21Å; E241-S245 PolarHBondContact O-N 3.33Å; E241-S245 PolarHBondContact O-OG 3.5Å
242	A	94.2	Very high	91.6	Very high	4 Å²	4	49.3 Å²	49.3	3%	0.033	26%	0.262	C	S	.	.	H	α-helix	trans	-59.6	-51.3	165.5	0	0	0	0	0	111.1	D239 R244 S245 L246 A268	D239-A242 HydrophobicContact CB-CB 3.85Å; D239-A242 PolarHBondContact OD1-N 3.21Å; A242-R244 VanDerWaalsContact C-N 3.31Å; A242-R244 PolarHBondContact O-N 3.08Å; A242-S245 PolarHBondContact O-N 3.29Å; A242-L246 VanDerWaalsContact O-CG 3.3Å; A242-L246 WeakPolarHBondContact O-CG 3.12Å; A242-L246 PolarHBondContact O-N 3.06Å; A242-A268 HydrophobicContact CB-CB 4Å
243	L	94.8	Very high	91.6	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-58.6	-43.7	177.3	-178.8	59.9	0	0	0	111.6	L196 A198 I203 M235 V238 D239 S245 L246 V247 L272	L196-L243 HydrophobicContact CB-CD2 4.19Å; L196-L243 HydrophobicContact CD1-CD1 4.24Å; L196-L243 HydrophobicContact CD1-CD2 4.41Å; A198-L243 HydrophobicContact CB-CD2 3.65Å; I203-L243 HydrophobicContact CD1-CB 4.21Å; I203-L243 HydrophobicContact CD1-CD2 4.01Å; I203-L243 HydrophobicContact CD1-CG 3.96Å; M235-L243 HydrophobicContact CB-CD2 4.07Å; M235-L243 HydrophobicContact CG-CD2 3.85Å; V238-L243 HydrophobicContact CG1-CB 3.89Å; D239-L243 WeakPolarHBondContact O-CB 3.42Å; D239-L243 PolarHBondContact O-N 3.15Å; L243-S245 PolarHBondContact O-N 3.38Å; L243-L246 PolarHBondContact O-N 3.35Å; L243-V247 HydrophobicContact CD1-CG2 4.26Å; L243-V247 HydrophobicContact CG-CG2 4.46Å; L243-V247 WeakPolarHBondContact O-CG2 3.43Å; L243-V247 PolarHBondContact O-N 2.85Å; L243-L272 HydrophobicContact CD1-CD1 3.76Å
244	R	93.1	Very high	91.6	Very high	138 Å²	138	51.8 Å²	51.8	52%	0.521	30%	0.295	S	S	.	.	H	α-helix	trans	-61.1	-42	177.2	-176.2	-177.4	174.1	-164	-5.7	112.5	I203 P240 E241 A242 H248	I203-R244 HydrophobicContact CD1-CB 3.92Å; P240-R244 VanDerWaalsContact O-CB 3.31Å; P240-R244 WeakPolarHBondContact O-CB 3.41Å; P240-R244 PolarHBondContact O-N 2.74Å; E241-R244 VanDerWaalsContact CD-NH1 3.32Å; E241-R244 PolarHBondContact O-N 3.09Å; E241-R244 WeakPolarHBondContact OE1-CD 3.35Å; E241-R244 IonicContact OE1-CZ 2.64Å; E241-R244 IonicContact OE1-NE 2.65Å; E241-R244 IonicContact OE1-NH1 2.96Å; E241-R244 PolarHBondContact OE1-NH1 3.46Å; E241-R244 IonicContact OE2-CZ 2.64Å; E241-R244 IonicContact OE2-NH1 2.9Å; E241-R244 PolarHBondContact OE2-NH1 3.19Å; A242-R244 VanDerWaalsContact C-N 3.31Å; A242-R244 PolarHBondContact O-N 3.08Å; R244-H248 WeakPolarHBondContact O-CB 3.32Å; R244-H248 PolarHBondContact O-N 3.43Å
245	S	94.3	Very high	91.8	Very high	46 Å²	46	46.9 Å²	46.9	32%	0.322	28%	0.275	S	S	.	.	H	α-helix	trans	-63.9	-42.2	175.5	-60.8	0	0	0	0	112	E241 A242 L243 H248 F249	E241-S245 WeakPolarHBondContact O-CB 3.21Å; E241-S245 PolarHBondContact O-N 3.33Å; E241-S245 PolarHBondContact O-OG 3.5Å; A242-S245 PolarHBondContact O-N 3.29Å; L243-S245 PolarHBondContact O-N 3.38Å; S245-H248 PolarHBondContact O-N 3.29Å; S245-F249 WeakPolarHBondContact O-CB 3.35Å; S245-F249 PolarHBondContact O-N 3.01Å
246	L	95.3	Very high	92	Very high	4 Å²	4	52.7 Å²	52.7	2%	0.021	30%	0.303	C	S	.	.	H	α-helix	trans	-69.9	-37.8	178.3	-64.8	171.9	0	0	0	112.6	A242 L243 F249 A250 L265 A268 A269 L272 L274 V277	A242-L246 VanDerWaalsContact O-CG 3.3Å; A242-L246 WeakPolarHBondContact O-CG 3.12Å; A242-L246 PolarHBondContact O-N 3.06Å; L243-L246 PolarHBondContact O-N 3.35Å; L246-F249 PolarHBondContact O-N 3.47Å; L246-A250 PolarHBondContact O-N 3.42Å; L246-L265 HydrophobicContact CD1-CD1 4.33Å; L246-L265 HydrophobicContact CD2-CD1 3.64Å; L246-L265 HydrophobicContact CG-CD1 3.77Å; L246-A268 HydrophobicContact CD1-CB 3.48Å; L246-A268 VanDerWaalsContact CD1-CB 3.48Å; L246-A269 HydrophobicContact CD1-CB 4.34Å; L246-A269 HydrophobicContact CD2-CB 4.25Å; L246-L272 HydrophobicContact CD1-CD1 4.06Å; L246-L274 HydrophobicContact CB-CD1 3.87Å; L246-L274 HydrophobicContact CD1-CD1 4.07Å; L246-L274 HydrophobicContact CD2-CD1 3.81Å; L246-L274 HydrophobicContact CG-CD1 4.12Å; L246-V277 HydrophobicContact CD2-CB 4.32Å; L246-V277 HydrophobicContact CD2-CG1 3.71Å; L246-V277 HydrophobicContact CD2-CG2 4.17Å
247	V	94	Very high	92.4	Very high	5 Å²	5	48.5 Å²	48.5	3%	0.03	28%	0.284	C	S	.	.	H	α-helix	trans	-63.5	-44.3	170.9	172.2	0	0	0	0	110.2	L196 I203 A205 L210 L243 A250 Y251	L196-V247 HydrophobicContact CD1-CG2 3.99Å; I203-V247 HydrophobicContact CG2-CB 4.32Å; I203-V247 HydrophobicContact CG2-CG1 4.14Å; I203-V247 HydrophobicContact CG2-CG2 4.22Å; A205-V247 HydrophobicContact CB-CG1 4.17Å; L210-V247 HydrophobicContact CD2-CG2 4.3Å; L243-V247 HydrophobicContact CD1-CG2 4.26Å; L243-V247 HydrophobicContact CG-CG2 4.46Å; L243-V247 WeakPolarHBondContact O-CG2 3.43Å; L243-V247 PolarHBondContact O-N 2.85Å; V247-A250 WeakPolarHBondContact O-CB 3.34Å; V247-A250 PolarHBondContact O-N 3.44Å; V247-Y251 HydrophobicContact CG1-CE2 4.27Å; V247-Y251 VanDerWaalsContact O-CD2 3.25Å; V247-Y251 WeakPolarHBondContact O-CD2 3.32Å
248	H	93	Very high	92.8	Very high	83 Å²	83	47.9 Å²	47.9	38%	0.384	26%	0.256	S	S	.	.	H	α-helix	trans	-62.2	-44.2	177.2	-178.1	60.6	0	0	0	112.4	E183 R244 S245 A250 Y251 T252	E183-H248 IonicContact OE1-CE1 3.37Å; R244-H248 WeakPolarHBondContact O-CB 3.32Å; R244-H248 PolarHBondContact O-N 3.43Å; S245-H248 PolarHBondContact O-N 3.29Å; H248-A250 PolarHBondContact O-N 2.79Å; H248-Y251 PolarHBondContact O-N 3.08Å; H248-T252 WeakPolarHBondContact CE1-CG2 3.38Å; H248-T252 PolarHBondContact O-N 2.95Å; H248-T252 VanDerWaalsContact O-N 3.14Å; H248-T252 PolarHBondContact O-OG1 3.48Å
249	F	94.7	Very high	92.6	Very high	24 Å²	24	53.8 Å²	53.8	11%	0.105	28%	0.282	C	S	.	.	H	α-helix	trans	-53.9	-37.6	173.8	167.5	-97.3	0	0	0	112.5	V213 S245 L246 Y251 T252 G253 L255 V277	V213-F249 HydrophobicContact CG1-CE1 4.22Å; S245-F249 WeakPolarHBondContact O-CB 3.35Å; S245-F249 PolarHBondContact O-N 3.01Å; L246-F249 PolarHBondContact O-N 3.47Å; F249-Y251 PolarHBondContact O-N 3.31Å; F249-Y251 VanDerWaalsContact O-N 3.14Å; F249-T252 PolarHBondContact O-N 3.31Å; F249-G253 WeakPolarHBondContact O-CA 3.49Å; F249-G253 PolarHBondContact O-N 2.99Å; F249-L255 HydrophobicContact CB-CD1 4.42Å; F249-L255 HydrophobicContact CD2-CB 3.95Å; F249-V277 HydrophobicContact CD1-CG2 3.68Å; F249-V277 HydrophobicContact CE1-CG2 3.43Å; F249-V277 VanDerWaalsContact CE1-CG2 3.43Å; F249-V277 HydrophobicContact CE2-CG2 4.3Å; F249-V277 HydrophobicContact CG-CG2 4.24Å; F249-V277 HydrophobicContact CZ-CG2 3.77Å
250	A	93.6	Very high	92.5	Very high	8 Å²	8	58.5 Å²	58.5	7%	0.066	30%	0.302	C	S	.	.	H	α-helix	trans	-64.9	-14.1	177.8	0	0	0	0	0	114.6	V209 L210 V213 L246 V247 H248	V209-A250 HydrophobicContact CG1-CB 4.34Å; V209-A250 VanDerWaalsContact CG1-O 3.26Å; V209-A250 WeakPolarHBondContact CG1-O 3.24Å; L210-A250 HydrophobicContact CD2-CB 4.39Å; V213-A250 HydrophobicContact CB-CB 4.18Å; V213-A250 HydrophobicContact CG1-CB 4.14Å; V213-A250 HydrophobicContact CG2-CB 4.14Å; L246-A250 PolarHBondContact O-N 3.42Å; V247-A250 WeakPolarHBondContact O-CB 3.34Å; V247-A250 PolarHBondContact O-N 3.44Å; H248-A250 PolarHBondContact O-N 2.79Å
251	Y	92.4	Very high	92.4	Very high	5 Å²	5	59.7 Å²	59.7	2%	0.02	31%	0.309	C	S	.	.	H	α-helix	trans	-104.9	-30.3	173.7	-67.8	-97.4	0	0	0	113.5	M182 L186 H206 V209 V247 H248 F249	M182-Y251 HydrophobicContact CB-CD1 3.91Å; M182-Y251 HydrophobicContact CB-CE1 4.09Å; L186-Y251 HydrophobicContact CB-CE1 4.31Å; L186-Y251 HydrophobicContact CD1-CE2 3.97Å; L186-Y251 HydrophobicContact CD2-CD1 4.5Å; L186-Y251 HydrophobicContact CD2-CD2 3.66Å; L186-Y251 HydrophobicContact CD2-CE2 3.76Å; L186-Y251 HydrophobicContact CD2-CG 4.07Å; L186-Y251 HydrophobicContact CG-CE2 4.39Å; H206-Y251 VanDerWaalsContact CB-OH 3.26Å; H206-Y251 WeakPolarHBondContact CB-OH 3.15Å; H206-Y251 PolarHBondContact N-OH 3.11Å; H206-Y251 AromaticContact ND1-CE1 3.88Å; H206-Y251 AromaticContact ND1-CZ 3.76Å; H206-Y251 PolarHBondContact ND1-OH 3.39Å; V209-Y251 HydrophobicContact CB-CE1 4.03Å; V209-Y251 HydrophobicContact CB-CE2 4.45Å; V209-Y251 HydrophobicContact CG1-CD1 4.08Å; V209-Y251 HydrophobicContact CG1-CD2 4.19Å; V209-Y251 HydrophobicContact CG1-CE1 3.81Å; V209-Y251 HydrophobicContact CG1-CE2 3.92Å; V209-Y251 HydrophobicContact CG1-CG 4.25Å; V209-Y251 HydrophobicContact CG2-CE1 3.8Å; V247-Y251 HydrophobicContact CG1-CE2 4.27Å; V247-Y251 VanDerWaalsContact O-CD2 3.25Å; V247-Y251 WeakPolarHBondContact O-CD2 3.32Å; H248-Y251 PolarHBondContact O-N 3.08Å; F249-Y251 PolarHBondContact O-N 3.31Å; F249-Y251 VanDerWaalsContact O-N 3.14Å
252	T	91.6	Very high	92.4	Very high	44 Å²	44	56 Å²	56	27%	0.27	29%	0.292	S	S	.	.	H	α-helix	trans	-106.4	-23.3	-172.8	60.6	0	0	0	0	114.6	E183 H248 F249 V254	E183-T252 HydrophobicContact CG-CG2 4.07Å; H248-T252 WeakPolarHBondContact CE1-CG2 3.38Å; H248-T252 PolarHBondContact O-N 2.95Å; H248-T252 VanDerWaalsContact O-N 3.14Å; H248-T252 PolarHBondContact O-OG1 3.48Å; F249-T252 PolarHBondContact O-N 3.31Å; T252-V254 PolarHBondContact O-N 3.49Å; T252-V254 PolarHBondContact OG1-N 3.2Å; T252-V254 VanDerWaalsContact OG1-N 3.17Å; T252-V254 PolarHBondContact OG1-O 2.68Å
253	G	89.9	Confident	92.3	Very high	55 Å²	55	60.5 Å²	60.5	57%	0.567	31%	0.312	S	S	*	.	S	Bend	trans	68.3	7.2	-166.7	0	0	0	0	0	114.2	F249	F249-G253 WeakPolarHBondContact O-CA 3.49Å; F249-G253 PolarHBondContact O-N 2.99Å
254	V	90.6	Very high	92.2	Very high	98 Å²	98	62.3 Å²	62.3	59%	0.594	33%	0.325	S	S	*	.			trans	-108.9	136.1	-176.8	-179.2	0	0	0	0	110	T252	T252-V254 PolarHBondContact O-N 3.49Å; T252-V254 PolarHBondContact OG1-N 3.2Å; T252-V254 VanDerWaalsContact OG1-N 3.17Å; T252-V254 PolarHBondContact OG1-O 2.68Å
255	L	93.8	Very high	92.3	Very high	39 Å²	39	55.9 Å²	55.9	20%	0.204	30%	0.301	C	S	.	.			trans	-139.8	130.7	179.8	-173.8	63.7	0	0	0	110.7	F249 L257 L265 V277	F249-L255 HydrophobicContact CB-CD1 4.42Å; F249-L255 HydrophobicContact CD2-CB 3.95Å; L255-L257 HydrophobicContact CD2-CD2 3.98Å; L255-L257 HydrophobicContact CG-CD2 4.08Å; L255-L265 HydrophobicContact CD1-CD1 4.19Å; L255-L265 HydrophobicContact CD1-CD2 4.19Å; L255-L265 HydrophobicContact CD2-CD2 4.14Å; L255-L265 HydrophobicContact CG-CD2 4.28Å; L255-V277 HydrophobicContact CD2-CB 4.33Å; L255-V277 HydrophobicContact CD2-CG1 3.44Å; L255-V277 VanDerWaalsContact CD2-CG1 3.44Å; L255-V277 HydrophobicContact CD2-CG2 4.09Å
256	E	91.9	Very high	92.3	Very high	132 Å²	132	53.7 Å²	53.7	62%	0.617	29%	0.286	S	S	*	.			trans	-94	127	175.9	-168.1	-171.1	-169.2	0	0	109.7	K258	E256-K258 WeakPolarHBondContact OE1-CE 3.36Å; E256-K258 IonicContact OE1-NZ 2.72Å; E256-K258 PolarHBondContact OE1-NZ 2.87Å; E256-K258 WeakPolarHBondContact OE2-CE 3.43Å; E256-K258 IonicContact OE2-NZ 3.65Å; E256-K258 PolarHBondContact OE2-NZ 3.06Å
257	L	92.9	Very high	92.3	Very high	48 Å²	48	55 Å²	55	25%	0.251	30%	0.296	S	S	.	.			trans	-106.1	127.8	-179.2	-53.5	178	0	0	0	110.2	L255 I262 L265 V280 F284	L255-L257 HydrophobicContact CD2-CD2 3.98Å; L255-L257 HydrophobicContact CG-CD2 4.08Å; L257-I262 HydrophobicContact CD2-CD1 4.07Å; L257-L265 HydrophobicContact CD2-CD2 3.88Å; L257-V280 HydrophobicContact CD1-CG1 3.7Å; L257-V280 HydrophobicContact CD2-CG1 4.38Å; L257-F284 HydrophobicContact CB-CD2 3.95Å; L257-F284 HydrophobicContact CB-CE2 4.07Å; L257-F284 HydrophobicContact CB-CG 4.42Å; L257-F284 HydrophobicContact CD1-CB 3.94Å; L257-F284 HydrophobicContact CD1-CD2 3.85Å; L257-F284 HydrophobicContact CD1-CG 4.13Å
258	K	91.3	Very high	92.3	Very high	76 Å²	76	54.9 Å²	54.9	33%	0.33	30%	0.297	S	S	.	.			trans	-131.8	141.1	178.5	-69	168.7	171.6	143.8	0	110.3	E256 E260 T261 I262	E256-K258 WeakPolarHBondContact OE1-CE 3.36Å; E256-K258 IonicContact OE1-NZ 2.72Å; E256-K258 PolarHBondContact OE1-NZ 2.87Å; E256-K258 WeakPolarHBondContact OE2-CE 3.43Å; E256-K258 IonicContact OE2-NZ 3.65Å; E256-K258 PolarHBondContact OE2-NZ 3.06Å; K258-E260 HydrophobicContact CB-CG 4.31Å; K258-E260 PolarHBondContact O-N 3.35Å; K258-E260 VanDerWaalsContact O-N 3.16Å; K258-T261 PolarHBondContact O-N 2.99Å; K258-T261 VanDerWaalsContact O-N 3.09Å; K258-I262 WeakPolarHBondContact O-CB 3.26Å; K258-I262 PolarHBondContact O-N 3.12Å
259	E	87.1	Confident	92.4	Very high	140 Å²	140	51 Å²	51	65%	0.654	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-30.3	179.2	-64.3	173.2	-173.2	0	0	112.7	F284 Q288	E259-F284 HydrophobicContact CG-CE1 4.16Å; E259-F284 HydrophobicContact CG-CZ 4.01Å; E259-Q288 PolarHBondContact OE1-NE2 3.13Å
260	E	88.5	Confident	92.3	Very high	170 Å²	170	51.1 Å²	51.1	79%	0.794	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-16.7	179.8	73.2	-165.1	153.9	0	0	114.8	K258	K258-E260 HydrophobicContact CB-CG 4.31Å; K258-E260 PolarHBondContact O-N 3.35Å; K258-E260 VanDerWaalsContact O-N 3.16Å
261	T	90.8	Very high	92.3	Very high	52 Å²	52	54.5 Å²	54.5	32%	0.319	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.6	-10	-178.9	65.3	0	0	0	0	114.2	K258 E263 S264 L265	K258-T261 PolarHBondContact O-N 2.99Å; K258-T261 VanDerWaalsContact O-N 3.09Å; T261-E263 VanDerWaalsContact C-N 3.27Å; T261-E263 PolarHBondContact O-N 3.19Å; T261-S264 PolarHBondContact O-N 3.29Å; T261-S264 PolarHBondContact O-OG 3.08Å; T261-S264 VanDerWaalsContact O-OG 3.1Å; T261-L265 VanDerWaalsContact O-CB 3.24Å; T261-L265 WeakPolarHBondContact O-CB 3.12Å; T261-L265 PolarHBondContact O-N 2.68Å
262	I	93.3	Very high	92.3	Very high	5 Å²	5	54.4 Å²	54.4	3%	0.026	30%	0.298	C	S	.	.	H	α-helix	trans	-60.8	-32.9	-172.6	-166.4	66.4	0	0	0	113.5	L257 K258 L266 C281 F284 L285	L257-I262 HydrophobicContact CD2-CD1 4.07Å; K258-I262 WeakPolarHBondContact O-CB 3.26Å; K258-I262 PolarHBondContact O-N 3.12Å; I262-L266 VanDerWaalsContact O-CB 3.28Å; I262-L266 WeakPolarHBondContact O-CB 3.43Å; I262-L266 PolarHBondContact O-N 3.37Å; I262-C281 HydrophobicContact CD1-CB 3.73Å; I262-F284 HydrophobicContact CD1-CB 4.46Å; I262-F284 HydrophobicContact CD1-CD1 4.07Å; I262-F284 HydrophobicContact CD1-CG 4.43Å; I262-F284 HydrophobicContact CG1-CD1 3.9Å; I262-F284 HydrophobicContact CG1-CE1 4.41Å; I262-L285 HydrophobicContact CG1-CD1 4.32Å; I262-L285 HydrophobicContact CG1-CD2 4.11Å; I262-L285 HydrophobicContact CG1-CG 3.97Å; I262-L285 HydrophobicContact CG2-CD2 3.76Å
263	E	91.4	Very high	92.4	Very high	98 Å²	98	56.9 Å²	56.9	46%	0.458	31%	0.307	S	S	.	.	H	α-helix	trans	-67	-50.6	176.5	-66.5	-178.3	-174.1	0	0	111.6	T261 L265 L266 A267 F300	T261-E263 VanDerWaalsContact C-N 3.27Å; T261-E263 PolarHBondContact O-N 3.19Å; E263-L265 VanDerWaalsContact C-N 3.32Å; E263-L265 PolarHBondContact O-N 3.22Å; E263-L266 PolarHBondContact O-N 2.74Å; E263-A267 WeakPolarHBondContact O-CB 3.5Å; E263-A267 PolarHBondContact O-N 2.73Å; E263-F300 HydrophobicContact CB-CE1 4.4Å; E263-F300 HydrophobicContact CB-CE2 4.28Å; E263-F300 HydrophobicContact CB-CZ 4.08Å; E263-F300 HydrophobicContact CG-CE1 4.42Å; E263-F300 WeakPolarHBondContact O-CZ 3.41Å
264	S	93.3	Very high	92.6	Very high	38 Å²	38	54.8 Å²	54.8	27%	0.266	28%	0.283	S	S	.	.	H	α-helix	trans	-68.5	-33.8	178.9	58.8	0	0	0	0	112.1	T261 A268	T261-S264 PolarHBondContact O-N 3.29Å; T261-S264 PolarHBondContact O-OG 3.08Å; T261-S264 VanDerWaalsContact O-OG 3.1Å; S264-A268 VanDerWaalsContact O-CB 3.24Å; S264-A268 WeakPolarHBondContact O-CB 3.44Å; S264-A268 PolarHBondContact O-N 3.08Å
265	L	95.1	Very high	92.7	Very high	4 Å²	4	54 Å²	54	2%	0.021	28%	0.281	C	S	.	.	H	α-helix	trans	-66.6	-46	175.9	-173.7	62.9	0	0	0	112.5	L246 L255 L257 T261 E263 A269	L246-L265 HydrophobicContact CD1-CD1 4.33Å; L246-L265 HydrophobicContact CD2-CD1 3.64Å; L246-L265 HydrophobicContact CG-CD1 3.77Å; L255-L265 HydrophobicContact CD1-CD1 4.19Å; L255-L265 HydrophobicContact CD1-CD2 4.19Å; L255-L265 HydrophobicContact CD2-CD2 4.14Å; L255-L265 HydrophobicContact CG-CD2 4.28Å; L257-L265 HydrophobicContact CD2-CD2 3.88Å; T261-L265 VanDerWaalsContact O-CB 3.24Å; T261-L265 WeakPolarHBondContact O-CB 3.12Å; T261-L265 PolarHBondContact O-N 2.68Å; E263-L265 VanDerWaalsContact C-N 3.32Å; E263-L265 PolarHBondContact O-N 3.22Å; L265-A269 VanDerWaalsContact O-CB 3.29Å; L265-A269 WeakPolarHBondContact O-CB 3.22Å; L265-A269 PolarHBondContact O-N 2.88Å
266	L	94.5	Very high	92.6	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-68.5	-41.8	176.8	179.7	49.2	0	0	0	111.4	I262 E263 A268 A269 C270 I278 C281 L285 F300 L309	I262-L266 VanDerWaalsContact O-CB 3.28Å; I262-L266 WeakPolarHBondContact O-CB 3.43Å; I262-L266 PolarHBondContact O-N 3.37Å; E263-L266 PolarHBondContact O-N 2.74Å; L266-A268 VanDerWaalsContact C-N 3.34Å; L266-A268 PolarHBondContact O-N 3.5Å; L266-A269 PolarHBondContact O-N 3.38Å; L266-C270 PolarHBondContact O-N 2.86Å; L266-I278 HydrophobicContact CD1-CB 4.22Å; L266-I278 HydrophobicContact CD1-CG1 4.26Å; L266-I278 HydrophobicContact CD1-CG2 4.01Å; L266-C281 HydrophobicContact CB-CB 4.02Å; L266-C281 HydrophobicContact CD1-CB 4.03Å; L266-C281 HydrophobicContact CD2-CB 4.23Å; L266-C281 HydrophobicContact CG-CB 4.32Å; L266-L285 HydrophobicContact CD2-CD1 3.78Å; L266-F300 HydrophobicContact CB-CE1 4.18Å; L266-F300 HydrophobicContact CB-CZ 4.33Å; L266-F300 HydrophobicContact CD2-CE1 3.97Å; L266-F300 HydrophobicContact CG-CE1 4.19Å; L266-L309 HydrophobicContact CD2-CD2 4.31Å
267	A	93.7	Very high	92.8	Very high	30 Å²	30	52.6 Å²	52.6	25%	0.248	27%	0.274	C	S	.	.	H	α-helix	trans	-61.1	-42.6	176.2	0	0	0	0	0	112.2	E263 C270 L271 F300	E263-A267 WeakPolarHBondContact O-CB 3.5Å; E263-A267 PolarHBondContact O-N 2.73Å; A267-C270 PolarHBondContact O-N 3.18Å; A267-L271 PolarHBondContact O-N 3.22Å; A267-L271 VanDerWaalsContact O-N 3.09Å; A267-F300 HydrophobicContact CB-CE2 4.42Å; A267-F300 HydrophobicContact CB-CZ 4.3Å
268	A	94.3	Very high	92.9	Very high	4 Å²	4	52.1 Å²	52.1	3%	0.033	27%	0.271	C	S	.	.	H	α-helix	trans	-65.6	-40.2	173.9	0	0	0	0	0	112.2	V238 A242 L246 S264 L266 L271 L272	V238-A268 HydrophobicContact CG1-CB 3.68Å; A242-A268 HydrophobicContact CB-CB 4Å; L246-A268 HydrophobicContact CD1-CB 3.48Å; L246-A268 VanDerWaalsContact CD1-CB 3.48Å; S264-A268 VanDerWaalsContact O-CB 3.24Å; S264-A268 WeakPolarHBondContact O-CB 3.44Å; S264-A268 PolarHBondContact O-N 3.08Å; L266-A268 VanDerWaalsContact C-N 3.34Å; L266-A268 PolarHBondContact O-N 3.5Å; A268-L271 PolarHBondContact O-N 2.91Å; A268-L272 WeakPolarHBondContact O-CB 3.49Å; A268-L272 VanDerWaalsContact O-CG 3.25Å; A268-L272 WeakPolarHBondContact O-CG 3.31Å; A268-L272 PolarHBondContact O-N 3.18Å
269	A	94.8	Very high	93	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-65.4	-38.7	176.7	0	0	0	0	0	112.7	L246 L265 L266 L272 Q273 L274 V277 I278	L246-A269 HydrophobicContact CD1-CB 4.34Å; L246-A269 HydrophobicContact CD2-CB 4.25Å; L265-A269 VanDerWaalsContact O-CB 3.29Å; L265-A269 WeakPolarHBondContact O-CB 3.22Å; L265-A269 PolarHBondContact O-N 2.88Å; L266-A269 PolarHBondContact O-N 3.38Å; A269-L272 CarbonylContact O-C 3.48Å; A269-L272 PolarHBondContact O-N 2.9Å; A269-Q273 PolarHBondContact O-N 2.97Å; A269-L274 HydrophobicContact CB-CB 4.23Å; A269-L274 PolarHBondContact O-N 3.41Å; A269-V277 HydrophobicContact CB-CB 4.05Å; A269-V277 HydrophobicContact CB-CG1 3.75Å; A269-I278 HydrophobicContact CB-CG1 3.96Å
270	C	93.1	Very high	93.4	Very high	28 Å²	28	51.6 Å²	51.6	19%	0.189	28%	0.275	C	S	.	.	H	α-helix	trans	-64	-47.4	174	-77	0	0	0	0	111.9	L266 A267 L272 Q273 I278	L266-C270 PolarHBondContact O-N 2.86Å; A267-C270 PolarHBondContact O-N 3.18Å; C270-L272 VanDerWaalsContact C-N 3.3Å; C270-L272 PolarHBondContact O-N 2.99Å; C270-Q273 PolarHBondContact O-N 3.47Å; C270-Q273 VanDerWaalsContact O-N 3.15Å; C270-I278 HydrophobicContact CB-CD1 4.5Å
271	L	92.9	Very high	93.7	Very high	79 Å²	79	43.5 Å²	43.5	41%	0.414	24%	0.237	S	C	.	.	H	α-helix	trans	-60.2	-40.4	176.9	-174.1	71.4	0	0	0	112.1	Y216 V238 A267 A268 Q273	Y216-L271 WeakPolarHBondContact CD2-O 3.28Å; V238-L271 HydrophobicContact CG2-CD2 3.48Å; V238-L271 VanDerWaalsContact CG2-CD2 3.48Å; A267-L271 PolarHBondContact O-N 3.22Å; A267-L271 VanDerWaalsContact O-N 3.09Å; A268-L271 PolarHBondContact O-N 2.91Å; L271-Q273 VanDerWaalsContact C-N 3.29Å; L271-Q273 PolarHBondContact O-N 3.06Å
272	L	92.7	Very high	93.9	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.01	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	4.9	179.7	-60.8	178.4	0	0	0	113.9	S214 Y216 F217 M235 L243 L246 A268 A269 C270 L274	S214-L272 PolarHBondContact OG-O 3.5Å; Y216-L272 HydrophobicContact CD1-CD2 3.65Å; Y216-L272 HydrophobicContact CE1-CD2 3.84Å; Y216-L272 HydrophobicContact CG-CD2 4.41Å; F217-L272 HydrophobicContact CE1-CD2 4.33Å; F217-L272 HydrophobicContact CE2-CD1 4.1Å; F217-L272 HydrophobicContact CE2-CD2 3.75Å; F217-L272 HydrophobicContact CE2-CG 4.41Å; F217-L272 HydrophobicContact CZ-CD1 4.4Å; F217-L272 HydrophobicContact CZ-CD2 3.62Å; M235-L272 HydrophobicContact CE-CD2 3.74Å; L243-L272 HydrophobicContact CD1-CD1 3.76Å; L246-L272 HydrophobicContact CD1-CD1 4.06Å; A268-L272 WeakPolarHBondContact O-CB 3.49Å; A268-L272 VanDerWaalsContact O-CG 3.25Å; A268-L272 WeakPolarHBondContact O-CG 3.31Å; A268-L272 PolarHBondContact O-N 3.18Å; A269-L272 CarbonylContact O-C 3.48Å; A269-L272 PolarHBondContact O-N 2.9Å; C270-L272 VanDerWaalsContact C-N 3.3Å; C270-L272 PolarHBondContact O-N 2.99Å; L272-L274 HydrophobicContact CB-CD1 3.98Å; L272-L274 HydrophobicContact CB-CG 3.96Å; L272-L274 HydrophobicContact CD1-CD1 4.27Å; L272-L274 PolarHBondContact O-N 2.92Å
273	Q	93.7	Very high	94	Very high	97 Å²	97	43.7 Å²	43.7	45%	0.453	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	33.3	178	-59.2	178.3	-16.1	0	0	113.9	D215 A269 C270 L271 S275	D215-Q273 HydrophobicContact CB-CB 4.48Å; A269-Q273 PolarHBondContact O-N 2.97Å; C270-Q273 PolarHBondContact O-N 3.47Å; C270-Q273 VanDerWaalsContact O-N 3.15Å; L271-Q273 VanDerWaalsContact C-N 3.29Å; L271-Q273 PolarHBondContact O-N 3.06Å; Q273-S275 VanDerWaalsContact C-N 3.28Å; Q273-S275 PolarHBondContact O-N 2.91Å
274	L	94.4	Very high	94.1	Very high	11 Å²	11	41.2 Å²	41.2	6%	0.058	23%	0.228	C	C	.	.			trans	-81.5	68.7	-177.3	-70.6	173.3	0	0	0	111.5	V213 L246 A269 L272 Q276 V277 I278	V213-L274 HydrophobicContact CG1-CD2 3.89Å; V213-L274 WeakPolarHBondContact O-CD2 3.44Å; L246-L274 HydrophobicContact CB-CD1 3.87Å; L246-L274 HydrophobicContact CD1-CD1 4.07Å; L246-L274 HydrophobicContact CD2-CD1 3.81Å; L246-L274 HydrophobicContact CG-CD1 4.12Å; A269-L274 HydrophobicContact CB-CB 4.23Å; A269-L274 PolarHBondContact O-N 3.41Å; L272-L274 HydrophobicContact CB-CD1 3.98Å; L272-L274 HydrophobicContact CB-CG 3.96Å; L272-L274 HydrophobicContact CD1-CD1 4.27Å; L272-L274 PolarHBondContact O-N 2.92Å; L274-Q276 VanDerWaalsContact C-N 3.3Å; L274-Q276 PolarHBondContact O-N 3.46Å; L274-Q276 VanDerWaalsContact O-N 3.08Å; L274-V277 HydrophobicContact CB-CB 4.14Å; L274-V277 HydrophobicContact CB-CG2 4.22Å; L274-V277 WeakPolarHBondContact O-CA 3.42Å; L274-V277 WeakPolarHBondContact O-CB 3.33Å; L274-V277 PolarHBondContact O-N 2.92Å; L274-I278 WeakPolarHBondContact O-CG1 3.19Å; L274-I278 PolarHBondContact O-N 3.04Å
275	S	92.6	Very high	94.2	Very high	80 Å²	80	39.9 Å²	39.9	56%	0.559	22%	0.218	S	C	*	.	H	α-helix	trans	-45.7	-42.8	-170.5	-63.1	0	0	0	0	115.6	Q273 I278 Q279	Q273-S275 VanDerWaalsContact C-N 3.28Å; Q273-S275 PolarHBondContact O-N 2.91Å; S275-I278 PolarHBondContact O-N 3.1Å; S275-Q279 PolarHBondContact O-N 3.25Å
276	Q	93.2	Very high	94.2	Very high	140 Å²	140	42.6 Å²	42.6	65%	0.654	23%	0.232	S	C	*	.	H	α-helix	trans	-65	-40.8	177.2	-65	-177.8	10	0	0	112.3	L274 Q279 V280	L274-Q276 VanDerWaalsContact C-N 3.3Å; L274-Q276 PolarHBondContact O-N 3.46Å; L274-Q276 VanDerWaalsContact O-N 3.08Å; Q276-Q279 PolarHBondContact O-N 2.97Å; Q276-V280 WeakPolarHBondContact O-CB 3.24Å; Q276-V280 WeakPolarHBondContact O-CG2 3.47Å; Q276-V280 PolarHBondContact O-N 2.91Å
277	V	94.9	Very high	94.1	Very high	2 Å²	2	51 Å²	51	1%	0.012	27%	0.268	C	S	.	.	H	α-helix	trans	-69.7	-40.2	177.8	-179.4	0	0	0	0	110.8	L246 F249 L255 A269 L274 Q279 V280 C281	L246-V277 HydrophobicContact CD2-CB 4.32Å; L246-V277 HydrophobicContact CD2-CG1 3.71Å; L246-V277 HydrophobicContact CD2-CG2 4.17Å; F249-V277 HydrophobicContact CD1-CG2 3.68Å; F249-V277 HydrophobicContact CE1-CG2 3.43Å; F249-V277 VanDerWaalsContact CE1-CG2 3.43Å; F249-V277 HydrophobicContact CE2-CG2 4.3Å; F249-V277 HydrophobicContact CG-CG2 4.24Å; F249-V277 HydrophobicContact CZ-CG2 3.77Å; L255-V277 HydrophobicContact CD2-CB 4.33Å; L255-V277 HydrophobicContact CD2-CG1 3.44Å; L255-V277 VanDerWaalsContact CD2-CG1 3.44Å; L255-V277 HydrophobicContact CD2-CG2 4.09Å; A269-V277 HydrophobicContact CB-CB 4.05Å; A269-V277 HydrophobicContact CB-CG1 3.75Å; L274-V277 HydrophobicContact CB-CB 4.14Å; L274-V277 HydrophobicContact CB-CG2 4.22Å; L274-V277 WeakPolarHBondContact O-CA 3.42Å; L274-V277 WeakPolarHBondContact O-CB 3.33Å; L274-V277 PolarHBondContact O-N 2.92Å; V277-Q279 VanDerWaalsContact C-N 3.35Å; V277-Q279 PolarHBondContact O-N 2.82Å; V277-V280 PolarHBondContact O-N 2.95Å; V277-C281 WeakPolarHBondContact O-CB 3.29Å; V277-C281 PolarHBondContact O-N 3.01Å; V277-C281 PolarHBondContact O-SG 2.86Å
278	I	94.6	Very high	94.1	Very high	38 Å²	38	53 Å²	53	20%	0.195	27%	0.272	C	S	.	.	H	α-helix	trans	-56.1	-50.8	174.3	-62.7	169.8	0	0	0	109.8	L266 A269 C270 L274 S275 V280 C281 C282	L266-I278 HydrophobicContact CD1-CB 4.22Å; L266-I278 HydrophobicContact CD1-CG1 4.26Å; L266-I278 HydrophobicContact CD1-CG2 4.01Å; A269-I278 HydrophobicContact CB-CG1 3.96Å; C270-I278 HydrophobicContact CB-CD1 4.5Å; L274-I278 WeakPolarHBondContact O-CG1 3.19Å; L274-I278 PolarHBondContact O-N 3.04Å; S275-I278 PolarHBondContact O-N 3.1Å; I278-V280 PolarHBondContact O-N 2.78Å; I278-C281 PolarHBondContact O-N 2.94Å; I278-C282 WeakPolarHBondContact O-CB 3.38Å; I278-C282 PolarHBondContact O-N 3.08Å; I278-C282 PolarHBondContact O-SG 3.34Å
279	Q	93.9	Very high	94.1	Very high	135 Å²	135	53.9 Å²	53.9	63%	0.631	28%	0.276	S	S	*	.	H	α-helix	trans	-59.2	-45.3	178.1	-172.6	-177.8	8.8	0	0	112.1	S275 Q276 V277 S283	S275-Q279 PolarHBondContact O-N 3.25Å; Q276-Q279 PolarHBondContact O-N 2.97Å; V277-Q279 VanDerWaalsContact C-N 3.35Å; V277-Q279 PolarHBondContact O-N 2.82Å; Q279-S283 VanDerWaalsContact O-CB 3.31Å; Q279-S283 WeakPolarHBondContact O-CB 3.28Å; Q279-S283 PolarHBondContact O-N 2.83Å; Q279-S283 PolarHBondContact O-OG 3.2Å
280	V	94.9	Very high	94.2	Very high	71 Å²	71	58.8 Å²	58.8	43%	0.43	30%	0.299	S	S	.	.	H	α-helix	trans	-65.7	-42.9	179.8	165.3	0	0	0	0	111.9	L257 Q276 V277 I278 S283 F284	L257-V280 HydrophobicContact CD1-CG1 3.7Å; L257-V280 HydrophobicContact CD2-CG1 4.38Å; Q276-V280 WeakPolarHBondContact O-CB 3.24Å; Q276-V280 WeakPolarHBondContact O-CG2 3.47Å; Q276-V280 PolarHBondContact O-N 2.91Å; V277-V280 PolarHBondContact O-N 2.95Å; I278-V280 PolarHBondContact O-N 2.78Å; V280-S283 WeakPolarHBondContact O-CB 3.22Å; V280-S283 PolarHBondContact O-N 3.33Å; V280-F284 PolarHBondContact O-N 3.14Å
281	C	94.9	Very high	94.3	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-69.6	-41.7	179.2	-66	0	0	0	0	112.1	I262 L266 V277 I278 S283 F284 L285	I262-C281 HydrophobicContact CD1-CB 3.73Å; L266-C281 HydrophobicContact CB-CB 4.02Å; L266-C281 HydrophobicContact CD1-CB 4.03Å; L266-C281 HydrophobicContact CD2-CB 4.23Å; L266-C281 HydrophobicContact CG-CB 4.32Å; V277-C281 WeakPolarHBondContact O-CB 3.29Å; V277-C281 PolarHBondContact O-N 3.01Å; V277-C281 PolarHBondContact O-SG 2.86Å; I278-C281 PolarHBondContact O-N 2.94Å; C281-S283 VanDerWaalsContact C-N 3.32Å; C281-S283 PolarHBondContact O-N 3.42Å; C281-F284 WeakPolarHBondContact O-CB 3.3Å; C281-F284 PolarHBondContact O-N 2.99Å; C281-L285 PolarHBondContact O-N 3.24Å
282	C	95.2	Very high	94.3	Very high	14 Å²	14	55.9 Å²	55.9	10%	0.095	29%	0.286	C	S	.	.	H	α-helix	trans	-59.1	-43.7	170.4	-71.8	0	0	0	0	111.4	I278 F284 L285 M286 L309	I278-C282 WeakPolarHBondContact O-CB 3.38Å; I278-C282 PolarHBondContact O-N 3.08Å; I278-C282 PolarHBondContact O-SG 3.34Å; C282-F284 PolarHBondContact O-N 2.92Å; C282-L285 PolarHBondContact O-N 3.21Å; C282-M286 VanDerWaalsContact O-CG 3.29Å; C282-M286 WeakPolarHBondContact O-CG 3.45Å; C282-M286 PolarHBondContact O-N 3.2Å; C282-L309 HydrophobicContact CB-CB 4.38Å
283	S	94.9	Very high	94.3	Very high	47 Å²	47	57.7 Å²	57.7	33%	0.329	30%	0.295	S	S	.	.	H	α-helix	trans	-64.2	-26.5	177	-57.8	0	0	0	0	113.6	Q279 V280 C281 K287	Q279-S283 VanDerWaalsContact O-CB 3.31Å; Q279-S283 WeakPolarHBondContact O-CB 3.28Å; Q279-S283 PolarHBondContact O-N 2.83Å; Q279-S283 PolarHBondContact O-OG 3.2Å; V280-S283 WeakPolarHBondContact O-CB 3.22Å; V280-S283 PolarHBondContact O-N 3.33Å; C281-S283 VanDerWaalsContact C-N 3.32Å; C281-S283 PolarHBondContact O-N 3.42Å; S283-K287 WeakPolarHBondContact O-CD 3.46Å; S283-K287 WeakPolarHBondContact O-CG 3.46Å
284	F	94.9	Very high	94.4	Very high	45 Å²	45	53.1 Å²	53.1	20%	0.197	27%	0.274	C	S	.	.	H	α-helix	trans	-75.2	-48.1	171.9	-178.9	-86.3	0	0	0	111	L257 E259 I262 V280 C281 C282 M286 K287 Q288	L257-F284 HydrophobicContact CB-CD2 3.95Å; L257-F284 HydrophobicContact CB-CE2 4.07Å; L257-F284 HydrophobicContact CB-CG 4.42Å; L257-F284 HydrophobicContact CD1-CB 3.94Å; L257-F284 HydrophobicContact CD1-CD2 3.85Å; L257-F284 HydrophobicContact CD1-CG 4.13Å; E259-F284 HydrophobicContact CG-CE1 4.16Å; E259-F284 HydrophobicContact CG-CZ 4.01Å; I262-F284 HydrophobicContact CD1-CB 4.46Å; I262-F284 HydrophobicContact CD1-CD1 4.07Å; I262-F284 HydrophobicContact CD1-CG 4.43Å; I262-F284 HydrophobicContact CG1-CD1 3.9Å; I262-F284 HydrophobicContact CG1-CE1 4.41Å; V280-F284 PolarHBondContact O-N 3.14Å; C281-F284 WeakPolarHBondContact O-CB 3.3Å; C281-F284 PolarHBondContact O-N 2.99Å; C282-F284 PolarHBondContact O-N 2.92Å; F284-M286 PolarHBondContact O-N 2.81Å; F284-K287 PolarHBondContact O-N 3.14Å; F284-K287 VanDerWaalsContact O-N 3.1Å; F284-Q288 HydrophobicContact CD1-CG 4.33Å; F284-Q288 HydrophobicContact CE1-CG 4.04Å; F284-Q288 HydrophobicContact CZ-CG 4.38Å; F284-Q288 WeakPolarHBondContact O-CG 3.45Å; F284-Q288 PolarHBondContact O-N 2.99Å
285	L	95	Very high	94.4	Very high	11 Å²	11	52.8 Å²	52.8	6%	0.058	27%	0.272	C	S	.	.	H	α-helix	trans	-62.1	-39.1	179	-72.5	171.8	0	0	0	112.7	I262 L266 C281 C282 K287 Q288 L289 I297 F300 L309	I262-L285 HydrophobicContact CG1-CD1 4.32Å; I262-L285 HydrophobicContact CG1-CD2 4.11Å; I262-L285 HydrophobicContact CG1-CG 3.97Å; I262-L285 HydrophobicContact CG2-CD2 3.76Å; L266-L285 HydrophobicContact CD2-CD1 3.78Å; C281-L285 PolarHBondContact O-N 3.24Å; C282-L285 PolarHBondContact O-N 3.21Å; L285-K287 PolarHBondContact O-N 2.84Å; L285-Q288 CarbonylContact O-C 3.54Å; L285-Q288 PolarHBondContact O-N 2.98Å; L285-L289 PolarHBondContact O-N 3.5Å; L285-I297 HydrophobicContact CB-CG2 4.47Å; L285-I297 HydrophobicContact CD2-CD1 4.34Å; L285-I297 HydrophobicContact CD2-CG1 4.46Å; L285-F300 HydrophobicContact CD1-CD1 4.48Å; L285-F300 HydrophobicContact CD1-CE1 4.42Å; L285-L309 HydrophobicContact CB-CD1 3.79Å; L285-L309 HydrophobicContact CB-CD2 4.11Å; L285-L309 HydrophobicContact CD1-CD2 3.67Å
286	M	94.5	Very high	94.4	Very high	61 Å²	61	50.5 Å²	50.5	30%	0.3	26%	0.261	S	S	.	.	H	α-helix	trans	-58.3	-33.4	174	-72.6	172.4	-177.8	0	0	113.1	C282 F284 Q288 D308 L309 V312	C282-M286 VanDerWaalsContact O-CG 3.29Å; C282-M286 WeakPolarHBondContact O-CG 3.45Å; C282-M286 PolarHBondContact O-N 3.2Å; F284-M286 PolarHBondContact O-N 2.81Å; M286-Q288 VanDerWaalsContact C-N 3.29Å; M286-D308 HydrophobicContact CE-CB 4.03Å; M286-L309 HydrophobicContact CE-CB 4.23Å; M286-L309 HydrophobicContact CE-CD1 4.47Å; M286-L309 HydrophobicContact CG-CD1 3.72Å; M286-V312 HydrophobicContact CE-CB 4.45Å; M286-V312 HydrophobicContact CE-CG2 4.03Å; M286-V312 HydrophobicContact CG-CB 4.41Å; M286-V312 HydrophobicContact CG-CG1 4.21Å; M286-V312 HydrophobicContact SD-CG2 4.41Å
287	K	93.8	Very high	94.4	Very high	175 Å²	175	44.5 Å²	44.5	76%	0.761	23%	0.233	S	C	*	.	H	α-helix	trans	-79.1	-12.3	178.1	-68	170.8	-174.3	177.3	0	113.4	S283 F284 L285	S283-K287 WeakPolarHBondContact O-CD 3.46Å; S283-K287 WeakPolarHBondContact O-CG 3.46Å; F284-K287 PolarHBondContact O-N 3.14Å; F284-K287 VanDerWaalsContact O-N 3.1Å; L285-K287 PolarHBondContact O-N 2.84Å
288	Q	93.2	Very high	94.4	Very high	72 Å²	72	45.1 Å²	45.1	34%	0.336	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.8	15.2	-175.1	-65.3	-77.7	27.9	0	0	112.6	E259 F284 L285 M286 H290 N293	E259-Q288 PolarHBondContact OE1-NE2 3.13Å; F284-Q288 HydrophobicContact CD1-CG 4.33Å; F284-Q288 HydrophobicContact CE1-CG 4.04Å; F284-Q288 HydrophobicContact CZ-CG 4.38Å; F284-Q288 WeakPolarHBondContact O-CG 3.45Å; F284-Q288 PolarHBondContact O-N 2.99Å; L285-Q288 CarbonylContact O-C 3.54Å; L285-Q288 PolarHBondContact O-N 2.98Å; M286-Q288 VanDerWaalsContact C-N 3.29Å; Q288-H290 PolarHBondContact O-N 3.11Å; Q288-N293 PolarHBondContact O-ND2 3.33Å; Q288-N293 PolarHBondContact O-OD1 3.28Å
289	L	95	Very high	94.3	Very high	23 Å²	23	46 Å²	46	12%	0.12	25%	0.245	C	C	.	.			trans	-67.6	126.9	175.6	-78.5	166.9	0	0	0	111.4	L285 C294 I297 V312 A313 Y316	L285-L289 PolarHBondContact O-N 3.5Å; L289-C294 HydrophobicContact CD2-CB 3.93Å; L289-I297 HydrophobicContact CD2-CB 4.23Å; L289-I297 HydrophobicContact CD2-CD1 4.01Å; L289-I297 HydrophobicContact CD2-CG2 4.05Å; L289-V312 HydrophobicContact CD1-CG1 3.71Å; L289-A313 HydrophobicContact CD2-CB 3.87Å; L289-Y316 HydrophobicContact CB-CD1 4.39Å; L289-Y316 HydrophobicContact CB-CD2 4.09Å; L289-Y316 HydrophobicContact CB-CE1 4.5Å; L289-Y316 HydrophobicContact CB-CE2 4.2Å; L289-Y316 HydrophobicContact CB-CG 4.19Å; L289-Y316 HydrophobicContact CD1-CG 4.46Å; L289-Y316 PolarHBondContact O-OH 2.93Å
290	H	95.4	Very high	94.3	Very high	104 Å²	104	40.1 Å²	40.1	48%	0.481	22%	0.217	S	C	.	.			trans	-143.4	152.4	-178.2	-172.8	-108	0	0	0	109.5	Q288 S292 N293 C294	Q288-H290 PolarHBondContact O-N 3.11Å; H290-S292 PolarHBondContact ND1-N 2.87Å; H290-S292 PolarHBondContact ND1-OG 3.06Å; H290-S292 PolarHBondContact O-N 3.16Å; H290-N293 PolarHBondContact N-OD1 3.06Å; H290-N293 PolarHBondContact O-N 3.46Å; H290-N293 PolarHBondContact O-OD1 3Å; H290-C294 WeakPolarHBondContact O-CB 3.42Å; H290-C294 PolarHBondContact O-N 3.26Å
291	P	95.1	Very high	94.2	Very high	5 Å²	5	36.8 Å²	36.8	3%	0.032	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-17.7	-176.7	-24.2	36.8	0	0	0	113.9	Y316 H320 E323 V324	P291-Y316 WeakPolarHBondContact CD-OH 3.34Å; P291-Y316 HydrophobicContact CG-CE1 4.3Å; P291-H320 HydrophobicContact CG-CB 4.3Å; P291-E323 HydrophobicContact CB-CB 3.57Å; P291-E323 HydrophobicContact CG-CB 3.73Å; P291-E323 HydrophobicContact CG-CG 4.5Å; P291-V324 HydrophobicContact CB-CG2 4.03Å
292	S	93.8	Very high	94.2	Very high	41 Å²	41	40.4 Å²	40.4	29%	0.287	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-1.6	176.9	79.3	0	0	0	0	115.8	H290 N327	H290-S292 PolarHBondContact ND1-N 2.87Å; H290-S292 PolarHBondContact ND1-OG 3.06Å; H290-S292 PolarHBondContact O-N 3.16Å; S292-N327 WeakPolarHBondContact CA-OD1 3.34Å; S292-N327 WeakPolarHBondContact CB-OD1 3.4Å
293	N	93.4	Very high	94	Very high	40 Å²	40	42.7 Å²	42.7	21%	0.214	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136.6	-13.3	179.1	74.1	6	0	0	0	114.5	Q288 H290 L295 G296 I297 E329	Q288-N293 PolarHBondContact O-ND2 3.33Å; Q288-N293 PolarHBondContact O-OD1 3.28Å; H290-N293 PolarHBondContact N-OD1 3.06Å; H290-N293 PolarHBondContact O-N 3.46Å; H290-N293 PolarHBondContact O-OD1 3Å; N293-L295 VanDerWaalsContact C-N 3.25Å; N293-L295 PolarHBondContact O-N 3Å; N293-G296 PolarHBondContact O-N 3.17Å; N293-G296 VanDerWaalsContact O-N 3.11Å; N293-I297 HydrophobicContact CB-CD1 4.4Å; N293-I297 WeakPolarHBondContact O-CG1 3.41Å; N293-I297 PolarHBondContact O-N 3.04Å; N293-E329 WeakPolarHBondContact CA-OE2 3.31Å
294	C	95.3	Very high	93.8	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-62.6	-29.3	-173.9	62.5	0	0	0	0	113.5	L289 H290 R298 Y316 V324	L289-C294 HydrophobicContact CD2-CB 3.93Å; H290-C294 WeakPolarHBondContact O-CB 3.42Å; H290-C294 PolarHBondContact O-N 3.26Å; C294-R298 WeakPolarHBondContact O-CB 3.46Å; C294-R298 PolarHBondContact O-N 3.25Å; C294-Y316 HydrophobicContact CB-CD1 3.66Å; C294-Y316 HydrophobicContact CB-CE1 4.12Å; C294-V324 VanDerWaalsContact SG-CG2 3.54Å
295	L	94.4	Very high	93.6	Very high	5 Å²	5	43.4 Å²	43.4	3%	0.026	25%	0.25	C	C	.	.	H	α-helix	trans	-70.5	-43.4	174	-68	173.4	0	0	0	111.2	N293 R298 S299 T317 V324 E329 F330 L333 L341	N293-L295 VanDerWaalsContact C-N 3.25Å; N293-L295 PolarHBondContact O-N 3Å; L295-R298 PolarHBondContact O-N 3.38Å; L295-S299 WeakPolarHBondContact O-CB 3.28Å; L295-S299 PolarHBondContact O-N 3.49Å; L295-T317 HydrophobicContact CD2-CG2 3.65Å; L295-V324 HydrophobicContact CD1-CG1 3.51Å; L295-V324 HydrophobicContact CD2-CG1 4.21Å; L295-V324 HydrophobicContact CG-CG1 3.74Å; L295-E329 HydrophobicContact CB-CB 4.19Å; L295-E329 WeakPolarHBondContact CB-OE2 3.32Å; L295-E329 HydrophobicContact CD1-CB 3.97Å; L295-F330 HydrophobicContact CD1-CB 3.95Å; L295-L333 HydrophobicContact CD1-CD1 3.85Å; L295-L333 HydrophobicContact CD1-CD2 4.47Å; L295-L333 HydrophobicContact CD1-CG 4.26Å; L295-L333 HydrophobicContact CD2-CD1 4.12Å; L295-L341 HydrophobicContact CD2-CD1 4.31Å
296	G	92.3	Very high	93.5	Very high	31 Å²	31	43.4 Å²	43.4	32%	0.32	25%	0.251	S	S	.	.	H	α-helix	trans	-57.4	-53	170.6	0	0	0	0	0	112.5	N293 R298 S299 F300 E329	N293-G296 PolarHBondContact O-N 3.17Å; N293-G296 VanDerWaalsContact O-N 3.11Å; G296-R298 VanDerWaalsContact C-N 3.34Å; G296-R298 PolarHBondContact O-N 2.94Å; G296-S299 PolarHBondContact O-N 3.35Å; G296-F300 WeakPolarHBondContact O-CB 3.46Å; G296-F300 PolarHBondContact O-N 3.47Å; G296-E329 PolarHBondContact N-OE2 3.11Å
297	I	94	Very high	93.5	Very high	14 Å²	14	44.7 Å²	44.7	7%	0.072	26%	0.262	C	S	.	.	H	α-helix	trans	-61	-41.2	179.4	-66.1	171.9	0	0	0	111.2	L285 L289 N293 F300 A301 L309 A313	L285-I297 HydrophobicContact CB-CG2 4.47Å; L285-I297 HydrophobicContact CD2-CD1 4.34Å; L285-I297 HydrophobicContact CD2-CG1 4.46Å; L289-I297 HydrophobicContact CD2-CB 4.23Å; L289-I297 HydrophobicContact CD2-CD1 4.01Å; L289-I297 HydrophobicContact CD2-CG2 4.05Å; N293-I297 HydrophobicContact CB-CD1 4.4Å; N293-I297 WeakPolarHBondContact O-CG1 3.41Å; N293-I297 PolarHBondContact O-N 3.04Å; I297-F300 PolarHBondContact O-N 3.49Å; I297-A301 VanDerWaalsContact O-CB 3.3Å; I297-A301 WeakPolarHBondContact O-CB 3.48Å; I297-A301 PolarHBondContact O-N 3.35Å; I297-L309 HydrophobicContact CG2-CD1 3.93Å; I297-L309 HydrophobicContact CG2-CD2 4.26Å; I297-L309 HydrophobicContact CG2-CG 4.11Å; I297-A313 HydrophobicContact CG2-CB 4.14Å
298	R	94.7	Very high	93.5	Very high	15 Å²	15	42 Å²	42	6%	0.057	26%	0.255	C	S	.	.	H	α-helix	trans	-61	-48.8	174.9	-177.3	-174	160.3	-102.9	-21.8	111.5	C294 L295 G296 F300 A301 D302 L310 A313 H314 E337	C294-R298 WeakPolarHBondContact O-CB 3.46Å; C294-R298 PolarHBondContact O-N 3.25Å; L295-R298 PolarHBondContact O-N 3.38Å; G296-R298 VanDerWaalsContact C-N 3.34Å; G296-R298 PolarHBondContact O-N 2.94Å; R298-F300 VanDerWaalsContact C-N 3.33Å; R298-F300 PolarHBondContact O-N 3.35Å; R298-A301 PolarHBondContact O-N 3.19Å; R298-D302 PolarHBondContact O-N 2.97Å; R298-D302 VanDerWaalsContact O-N 3.08Å; R298-L310 HydrophobicContact CG-CD1 3.76Å; R298-L310 WeakPolarHBondContact O-CD1 3.42Å; R298-A313 HydrophobicContact CB-CB 3.87Å; R298-H314 HydrophobicContact CG-CB 4.49Å; R298-H314 PolarHBondContact NE-ND1 3.02Å; R298-E337 IonicContact CZ-OE2 3.21Å; R298-E337 IonicContact NH1-OE2 2.68Å; R298-E337 PolarHBondContact NH1-OE2 2.92Å; R298-E337 IonicContact NH2-OE2 2.7Å; R298-E337 PolarHBondContact NH2-OE2 3.43Å
299	S	92.6	Very high	93.7	Very high	57 Å²	57	38.6 Å²	38.6	40%	0.399	24%	0.24	S	C	.	.	H	α-helix	trans	-66.4	-34.3	178.8	-170.8	0	0	0	0	112.7	L295 G296 A303	L295-S299 WeakPolarHBondContact O-CB 3.28Å; L295-S299 PolarHBondContact O-N 3.49Å; G296-S299 PolarHBondContact O-N 3.35Å; S299-A303 WeakPolarHBondContact O-CB 3.44Å; S299-A303 PolarHBondContact O-N 2.92Å
300	F	92.5	Very high	93.7	Very high	12 Å²	12	39 Å²	39	5%	0.053	24%	0.242	C	C	.	.	H	α-helix	trans	-70.3	-41.5	176.2	179.9	-112.9	0	0	0	111.4	W21 E263 L266 A267 L285 G296 I297 R298 D302 A303 Q304	W21-F300 HydrophobicContact CH2-CD2 4.3Å; W21-F300 HydrophobicContact CZ2-CD2 4.44Å; E263-F300 HydrophobicContact CB-CE1 4.4Å; E263-F300 HydrophobicContact CB-CE2 4.28Å; E263-F300 HydrophobicContact CB-CZ 4.08Å; E263-F300 HydrophobicContact CG-CE1 4.42Å; E263-F300 WeakPolarHBondContact O-CZ 3.41Å; L266-F300 HydrophobicContact CB-CE1 4.18Å; L266-F300 HydrophobicContact CB-CZ 4.33Å; L266-F300 HydrophobicContact CD2-CE1 3.97Å; L266-F300 HydrophobicContact CG-CE1 4.19Å; A267-F300 HydrophobicContact CB-CE2 4.42Å; A267-F300 HydrophobicContact CB-CZ 4.3Å; L285-F300 HydrophobicContact CD1-CD1 4.48Å; L285-F300 HydrophobicContact CD1-CE1 4.42Å; G296-F300 WeakPolarHBondContact O-CB 3.46Å; G296-F300 PolarHBondContact O-N 3.47Å; I297-F300 PolarHBondContact O-N 3.49Å; R298-F300 VanDerWaalsContact C-N 3.33Å; R298-F300 PolarHBondContact O-N 3.35Å; F300-D302 PolarHBondContact O-N 3.31Å; F300-A303 PolarHBondContact O-N 3.17Å; F300-Q304 HydrophobicContact CD2-CG 4.19Å; F300-Q304 HydrophobicContact CE1-CG 4.06Å; F300-Q304 HydrophobicContact CE2-CG 3.68Å; F300-Q304 HydrophobicContact CZ-CG 3.58Å; F300-Q304 WeakPolarHBondContact O-CG 3.34Å; F300-Q304 PolarHBondContact O-N 3.03Å
301	A	94.5	Very high	93.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-64.1	-38.5	175.9	0	0	0	0	0	112.9	I297 R298 Q304 G305 C306 L309 L310	I297-A301 VanDerWaalsContact O-CB 3.3Å; I297-A301 WeakPolarHBondContact O-CB 3.48Å; I297-A301 PolarHBondContact O-N 3.35Å; R298-A301 PolarHBondContact O-N 3.19Å; A301-Q304 PolarHBondContact O-N 3.21Å; A301-G305 PolarHBondContact O-N 2.87Å; A301-G305 VanDerWaalsContact O-N 3.1Å; A301-C306 HydrophobicContact CB-CB 4.29Å; A301-C306 PolarHBondContact O-N 2.79Å; A301-L309 HydrophobicContact CB-CB 4Å; A301-L309 HydrophobicContact CB-CD2 3.91Å; A301-L309 HydrophobicContact CB-CG 3.82Å; A301-L310 HydrophobicContact CB-CB 3.82Å
302	D	92.9	Very high	93.7	Very high	77 Å²	77	40.5 Å²	40.5	41%	0.412	26%	0.255	S	S	.	.	H	α-helix	trans	-58.9	-48.8	171.5	-153	12.6	0	0	0	109.9	R298 F300 Q304 G305 L310 K340	R298-D302 PolarHBondContact O-N 2.97Å; R298-D302 VanDerWaalsContact O-N 3.08Å; F300-D302 PolarHBondContact O-N 3.31Å; D302-Q304 PolarHBondContact O-N 3.22Å; D302-G305 PolarHBondContact O-N 3.38Å; D302-L310 HydrophobicContact CB-CD1 3.97Å; D302-L310 HydrophobicContact CB-CD2 4.39Å; D302-K340 IonicContact OD2-NZ 2.68Å; D302-K340 PolarHBondContact OD2-NZ 2.69Å
303	A	91.3	Very high	93.8	Very high	62 Å²	62	38.5 Å²	38.5	51%	0.512	24%	0.241	S	C	.	.	H	α-helix	trans	-66.3	-27.9	-179.6	0	0	0	0	0	115	S299 F300	S299-A303 WeakPolarHBondContact O-CB 3.44Å; S299-A303 PolarHBondContact O-N 2.92Å; F300-A303 PolarHBondContact O-N 3.17Å
304	Q	91.5	Very high	93.8	Very high	52 Å²	52	39 Å²	39	24%	0.243	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-1.4	175.7	-59.1	-49.1	-46.1	0	0	113.9	F300 A301 D302 C306	F300-Q304 HydrophobicContact CD2-CG 4.19Å; F300-Q304 HydrophobicContact CE1-CG 4.06Å; F300-Q304 HydrophobicContact CE2-CG 3.68Å; F300-Q304 HydrophobicContact CZ-CG 3.58Å; F300-Q304 WeakPolarHBondContact O-CG 3.34Å; F300-Q304 PolarHBondContact O-N 3.03Å; A301-Q304 PolarHBondContact O-N 3.21Å; D302-Q304 PolarHBondContact O-N 3.22Å; Q304-C306 PolarHBondContact O-N 3.25Å
305	G	91.2	Very high	93.8	Very high	55 Å²	55	43.9 Å²	43.9	57%	0.567	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.8	17.2	-174.9	0	0	0	0	0	114.6	A301 D302 V307	A301-G305 PolarHBondContact O-N 2.87Å; A301-G305 VanDerWaalsContact O-N 3.1Å; D302-G305 PolarHBondContact O-N 3.38Å; G305-V307 VanDerWaalsContact C-N 3.3Å; G305-V307 PolarHBondContact O-N 3.21Å
306	C	93.1	Very high	93.8	Very high	11 Å²	11	46 Å²	46	7%	0.074	28%	0.276	C	S	.	.			trans	-80.4	71.3	-176.7	-66.9	0	0	0	0	111.3	A301 Q304 D308 L309 L310	A301-C306 HydrophobicContact CB-CB 4.29Å; A301-C306 PolarHBondContact O-N 2.79Å; Q304-C306 PolarHBondContact O-N 3.25Å; C306-D308 VanDerWaalsContact C-N 3.31Å; C306-D308 PolarHBondContact O-N 2.83Å; C306-L309 HydrophobicContact CB-CB 4.12Å; C306-L309 PolarHBondContact O-N 2.73Å; C306-L310 PolarHBondContact O-N 2.8Å
307	V	93.8	Very high	94	Very high	87 Å²	87	44.5 Å²	44.5	53%	0.527	26%	0.261	S	S	.	.	H	α-helix	trans	-51.2	-42	-171.3	179.1	0	0	0	0	113.7	G305 L310 N311	G305-V307 VanDerWaalsContact C-N 3.3Å; G305-V307 PolarHBondContact O-N 3.21Å; V307-L310 WeakPolarHBondContact O-CB 3.48Å; V307-L310 PolarHBondContact O-N 3.22Å; V307-N311 WeakPolarHBondContact O-CB 3.46Å; V307-N311 PolarHBondContact O-N 3.24Å; V307-N311 PolarHBondContact O-ND2 2.88Å
308	D	94.4	Very high	94	Very high	118 Å²	118	44.1 Å²	44.1	63%	0.631	26%	0.259	S	S	*	.	H	α-helix	trans	-66.5	-43.1	179.7	-62.2	-40.8	0	0	0	112.4	M286 C306 L310 N311 V312	M286-D308 HydrophobicContact CE-CB 4.03Å; C306-D308 VanDerWaalsContact C-N 3.31Å; C306-D308 PolarHBondContact O-N 2.83Å; D308-L310 VanDerWaalsContact C-N 3.35Å; D308-N311 PolarHBondContact O-N 2.88Å; D308-V312 WeakPolarHBondContact O-CG2 3.41Å; D308-V312 PolarHBondContact O-N 3.26Å
309	L	95.7	Very high	94	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-66.1	-39.7	175.6	-179.4	64.8	0	0	0	111	L266 C282 L285 M286 I297 A301 C306 V312 A313	L266-L309 HydrophobicContact CD2-CD2 4.31Å; C282-L309 HydrophobicContact CB-CB 4.38Å; L285-L309 HydrophobicContact CB-CD1 3.79Å; L285-L309 HydrophobicContact CB-CD2 4.11Å; L285-L309 HydrophobicContact CD1-CD2 3.67Å; M286-L309 HydrophobicContact CE-CB 4.23Å; M286-L309 HydrophobicContact CE-CD1 4.47Å; M286-L309 HydrophobicContact CG-CD1 3.72Å; I297-L309 HydrophobicContact CG2-CD1 3.93Å; I297-L309 HydrophobicContact CG2-CD2 4.26Å; I297-L309 HydrophobicContact CG2-CG 4.11Å; A301-L309 HydrophobicContact CB-CB 4Å; A301-L309 HydrophobicContact CB-CD2 3.91Å; A301-L309 HydrophobicContact CB-CG 3.82Å; C306-L309 HydrophobicContact CB-CB 4.12Å; C306-L309 PolarHBondContact O-N 2.73Å; L309-V312 PolarHBondContact O-N 3.35Å; L309-A313 WeakPolarHBondContact O-CB 3.3Å; L309-A313 PolarHBondContact O-N 3.02Å
310	L	95.4	Very high	94.1	Very high	32 Å²	32	47.2 Å²	47.2	17%	0.168	27%	0.268	C	S	.	.	H	α-helix	trans	-59.6	-46.9	175.3	174.6	63.2	0	0	0	111.2	R298 A301 D302 C306 V307 D308 H314	R298-L310 HydrophobicContact CG-CD1 3.76Å; R298-L310 WeakPolarHBondContact O-CD1 3.42Å; A301-L310 HydrophobicContact CB-CB 3.82Å; D302-L310 HydrophobicContact CB-CD1 3.97Å; D302-L310 HydrophobicContact CB-CD2 4.39Å; C306-L310 PolarHBondContact O-N 2.8Å; V307-L310 WeakPolarHBondContact O-CB 3.48Å; V307-L310 PolarHBondContact O-N 3.22Å; D308-L310 VanDerWaalsContact C-N 3.35Å; L310-H314 WeakPolarHBondContact O-CB 3.44Å; L310-H314 PolarHBondContact O-N 3.17Å
311	N	94.4	Very high	94.2	Very high	79 Å²	79	46.8 Å²	46.8	42%	0.422	27%	0.266	S	S	.	.	H	α-helix	trans	-64.9	-46.6	178.8	-72.7	-26	0	0	0	112	V307 D308 H314 N315	V307-N311 WeakPolarHBondContact O-CB 3.46Å; V307-N311 PolarHBondContact O-N 3.24Å; V307-N311 PolarHBondContact O-ND2 2.88Å; D308-N311 PolarHBondContact O-N 2.88Å; N311-H314 PolarHBondContact O-N 3.25Å; N311-N315 WeakPolarHBondContact O-CB 3.35Å; N311-N315 PolarHBondContact O-N 3.37Å; N311-N315 PolarHBondContact O-ND2 3.26Å
312	V	95.7	Very high	94.2	Very high	61 Å²	61	50 Å²	50	37%	0.37	28%	0.283	S	S	.	.	H	α-helix	trans	-65	-44.4	178.5	177.2	0	0	0	0	111	M286 L289 D308 L309 H314 N315 Y316	M286-V312 HydrophobicContact CE-CB 4.45Å; M286-V312 HydrophobicContact CE-CG2 4.03Å; M286-V312 HydrophobicContact CG-CB 4.41Å; M286-V312 HydrophobicContact CG-CG1 4.21Å; M286-V312 HydrophobicContact SD-CG2 4.41Å; L289-V312 HydrophobicContact CD1-CG1 3.71Å; D308-V312 WeakPolarHBondContact O-CG2 3.41Å; D308-V312 PolarHBondContact O-N 3.26Å; L309-V312 PolarHBondContact O-N 3.35Å; V312-H314 PolarHBondContact O-N 3.22Å; V312-N315 PolarHBondContact O-N 3Å; V312-Y316 WeakPolarHBondContact O-CB 3.49Å; V312-Y316 PolarHBondContact O-N 3.09Å
313	A	95.9	Very high	94.3	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-65.7	-36.3	176.7	0	0	0	0	0	112.5	L289 I297 R298 L309 T317	L289-A313 HydrophobicContact CD2-CB 3.87Å; I297-A313 HydrophobicContact CG2-CB 4.14Å; R298-A313 HydrophobicContact CB-CB 3.87Å; L309-A313 WeakPolarHBondContact O-CB 3.3Å; L309-A313 PolarHBondContact O-N 3.02Å; A313-T317 WeakPolarHBondContact O-CB 3.26Å; A313-T317 PolarHBondContact O-N 3Å; A313-T317 PolarHBondContact O-OG1 2.77Å
314	H	94.6	Very high	94.5	Very high	51 Å²	51	47.9 Å²	47.9	24%	0.236	26%	0.26	C	S	.	.	H	α-helix	trans	-66.9	-47.7	174.5	-177.8	66.5	0	0	0	112.1	R298 L310 N311 V312 Y316 T317 M318	R298-H314 HydrophobicContact CG-CB 4.49Å; R298-H314 PolarHBondContact NE-ND1 3.02Å; L310-H314 WeakPolarHBondContact O-CB 3.44Å; L310-H314 PolarHBondContact O-N 3.17Å; N311-H314 PolarHBondContact O-N 3.25Å; V312-H314 PolarHBondContact O-N 3.22Å; H314-Y316 VanDerWaalsContact C-N 3.31Å; H314-Y316 PolarHBondContact O-N 3.47Å; H314-T317 WeakPolarHBondContact O-CA 3.05Å; H314-T317 WeakPolarHBondContact O-CB 3.41Å; H314-T317 PolarHBondContact O-N 2.91Å; H314-T317 VanDerWaalsContact O-N 3.07Å; H314-M318 WeakPolarHBondContact O-CG 3.17Å; H314-M318 PolarHBondContact O-N 3.38Å
315	N	94.1	Very high	94.7	Very high	101 Å²	101	46.1 Å²	46.1	54%	0.54	25%	0.252	S	S	.	.	H	α-helix	trans	-59.7	-42.9	177	-70.4	-14	0	0	0	111.4	N311 V312 T317 M318 E319	N311-N315 WeakPolarHBondContact O-CB 3.35Å; N311-N315 PolarHBondContact O-N 3.37Å; N311-N315 PolarHBondContact O-ND2 3.26Å; V312-N315 PolarHBondContact O-N 3Å; N315-T317 PolarHBondContact O-N 3.48Å; N315-M318 PolarHBondContact O-N 3.46Å; N315-E319 WeakPolarHBondContact O-CB 3.43Å; N315-E319 PolarHBondContact O-N 3.39Å
316	Y	95.9	Very high	94.8	Very high	50 Å²	50	50.7 Å²	50.7	20%	0.196	26%	0.258	C	S	.	.	H	α-helix	trans	-59.5	-43.4	172.8	-171.5	-83.7	0	0	0	112.3	L289 P291 C294 V312 H314 M318 E319 H320	L289-Y316 HydrophobicContact CB-CD1 4.39Å; L289-Y316 HydrophobicContact CB-CD2 4.09Å; L289-Y316 HydrophobicContact CB-CE1 4.5Å; L289-Y316 HydrophobicContact CB-CE2 4.2Å; L289-Y316 HydrophobicContact CB-CG 4.19Å; L289-Y316 HydrophobicContact CD1-CG 4.46Å; L289-Y316 PolarHBondContact O-OH 2.93Å; P291-Y316 WeakPolarHBondContact CD-OH 3.34Å; P291-Y316 HydrophobicContact CG-CE1 4.3Å; C294-Y316 HydrophobicContact CB-CD1 3.66Å; C294-Y316 HydrophobicContact CB-CE1 4.12Å; V312-Y316 WeakPolarHBondContact O-CB 3.49Å; V312-Y316 PolarHBondContact O-N 3.09Å; H314-Y316 VanDerWaalsContact C-N 3.31Å; H314-Y316 PolarHBondContact O-N 3.47Å; Y316-M318 VanDerWaalsContact C-N 3.32Å; Y316-M318 PolarHBondContact O-N 2.82Å; Y316-E319 PolarHBondContact O-N 3.29Å; Y316-H320 AromaticContact CD2-CD2 3.78Å; Y316-H320 HydrophobicContact CE1-CB 4.18Å; Y316-H320 AromaticContact CE1-CD2 3.89Å; Y316-H320 AromaticContact CE2-CD2 3.51Å; Y316-H320 AromaticContact CE2-NE2 3.68Å; Y316-H320 AromaticContact CZ-CD2 3.55Å; Y316-H320 AromaticContact CZ-CG 3.99Å; Y316-H320 AromaticContact CZ-NE2 3.96Å; Y316-H320 PolarHBondContact O-N 2.97Å
317	T	95.6	Very high	94.9	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-61.6	-38.5	176	-56	0	0	0	0	112.1	L295 A313 H314 N315 F321 V324 L341	L295-T317 HydrophobicContact CD2-CG2 3.65Å; A313-T317 WeakPolarHBondContact O-CB 3.26Å; A313-T317 PolarHBondContact O-N 3Å; A313-T317 PolarHBondContact O-OG1 2.77Å; H314-T317 WeakPolarHBondContact O-CA 3.05Å; H314-T317 WeakPolarHBondContact O-CB 3.41Å; H314-T317 PolarHBondContact O-N 2.91Å; H314-T317 VanDerWaalsContact O-N 3.07Å; N315-T317 PolarHBondContact O-N 3.48Å; T317-F321 WeakPolarHBondContact O-CA 3.29Å; T317-F321 PolarHBondContact O-N 2.9Å; T317-V324 HydrophobicContact CG2-CG1 4.43Å; T317-L341 HydrophobicContact CG2-CD2 3.95Å
318	M	94.4	Very high	94.7	Very high	5 Å²	5	52.5 Å²	52.5	3%	0.025	26%	0.261	C	S	.	.	H	α-helix	trans	-70.5	-38.8	176.7	-65.2	-63	92.8	0	0	111.9	H314 N315 Y316 L341 S344 I347 N348	H314-M318 WeakPolarHBondContact O-CG 3.17Å; H314-M318 PolarHBondContact O-N 3.38Å; N315-M318 PolarHBondContact O-N 3.46Å; Y316-M318 VanDerWaalsContact C-N 3.32Å; Y316-M318 PolarHBondContact O-N 2.82Å; M318-L341 HydrophobicContact CE-CD2 3.46Å; M318-L341 VanDerWaalsContact CE-CD2 3.46Å; M318-S344 PolarHBondContact SD-OG 3.34Å; M318-I347 HydrophobicContact CE-CG1 4.38Å; M318-I347 HydrophobicContact SD-CB 4.46Å; M318-I347 HydrophobicContact SD-CG1 3.79Å; M318-N348 WeakPolarHBondContact O-CB 3.33Å; M318-N348 PolarHBondContact O-N 3.07Å
319	E	93.6	Very high	94.5	Very high	82 Å²	82	47.7 Å²	47.7	38%	0.383	24%	0.235	S	C	.	.	H	α-helix	trans	-73.8	-43.6	-178	-176	142	-115	0	0	113.3	N315 Y316 N348 R462	N315-E319 WeakPolarHBondContact O-CB 3.43Å; N315-E319 PolarHBondContact O-N 3.39Å; Y316-E319 PolarHBondContact O-N 3.29Å; E319-N348 WeakPolarHBondContact O-CB 3.35Å; E319-N348 PolarHBondContact O-ND2 3.13Å; E319-R462 IonicContact OE1-CZ 2.73Å; E319-R462 VanDerWaalsContact OE1-CZ 3.28Å; E319-R462 IonicContact OE1-NH1 2.79Å; E319-R462 PolarHBondContact OE1-NH1 2.9Å; E319-R462 IonicContact OE1-NH2 3.18Å; E319-R462 PolarHBondContact OE1-NH2 2.84Å
320	H	94.9	Very high	94.5	Very high	56 Å²	56	48 Å²	48	26%	0.259	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	20.3	-178.8	-69.9	-84.7	0	0	0	113.6	P291 Y316 L322 E323 V324	P291-H320 HydrophobicContact CG-CB 4.3Å; Y316-H320 AromaticContact CD2-CD2 3.78Å; Y316-H320 HydrophobicContact CE1-CB 4.18Å; Y316-H320 AromaticContact CE1-CD2 3.89Å; Y316-H320 AromaticContact CE2-CD2 3.51Å; Y316-H320 AromaticContact CE2-NE2 3.68Å; Y316-H320 AromaticContact CZ-CD2 3.55Å; Y316-H320 AromaticContact CZ-CG 3.99Å; Y316-H320 AromaticContact CZ-NE2 3.96Å; Y316-H320 PolarHBondContact O-N 2.97Å; H320-L322 VanDerWaalsContact C-N 3.25Å; H320-L322 PolarHBondContact O-N 3.47Å; H320-L322 VanDerWaalsContact O-N 3.07Å; H320-E323 IonicContact CE1-OE1 2.72Å; H320-E323 IonicContact CG-OE1 3.61Å; H320-E323 IonicContact ND1-OE1 3.05Å; H320-E323 PolarHBondContact ND1-OE1 3.04Å; H320-E323 WeakPolarHBondContact O-CB 3.39Å; H320-E323 PolarHBondContact O-N 3.09Å; H320-V324 WeakPolarHBondContact O-CG2 3.45Å; H320-V324 PolarHBondContact O-N 3.32Å; H320-V324 VanDerWaalsContact O-N 3.08Å
321	F	95.2	Very high	94.3	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.009	24%	0.237	C	C	.	.	H	α-helix	trans	-51.5	-40.2	-170	-172.7	-102.4	0	0	0	114	T317 E323 V324 I325 I347 V349 I355 A358	T317-F321 WeakPolarHBondContact O-CA 3.29Å; T317-F321 PolarHBondContact O-N 2.9Å; F321-E323 PolarHBondContact O-N 3.36Å; F321-V324 PolarHBondContact O-N 3.27Å; F321-V324 VanDerWaalsContact O-N 3.16Å; F321-I325 HydrophobicContact CD1-CG2 4Å; F321-I325 HydrophobicContact CD2-CG2 4.33Å; F321-I325 HydrophobicContact CE1-CG2 3.55Å; F321-I325 HydrophobicContact CE2-CG2 3.92Å; F321-I325 HydrophobicContact CG-CG2 4.37Å; F321-I325 HydrophobicContact CZ-CG2 3.51Å; F321-I325 WeakPolarHBondContact O-CG1 3.26Å; F321-I325 WeakPolarHBondContact O-CG2 3.46Å; F321-I325 PolarHBondContact O-N 2.78Å; F321-I347 HydrophobicContact CB-CG2 3.78Å; F321-I347 HydrophobicContact CD1-CG2 3.45Å; F321-I347 VanDerWaalsContact CD1-CG2 3.45Å; F321-I347 HydrophobicContact CD2-CG2 3.82Å; F321-I347 HydrophobicContact CE1-CG2 3.9Å; F321-I347 HydrophobicContact CE2-CG2 4.24Å; F321-I347 HydrophobicContact CG-CG2 3.39Å; F321-I347 HydrophobicContact CZ-CG2 4.28Å; F321-V349 HydrophobicContact CD1-CG1 3.8Å; F321-V349 HydrophobicContact CE1-CG1 4.34Å; F321-I355 HydrophobicContact CE1-CG1 4.31Å; F321-A358 HydrophobicContact CE1-CB 4.36Å
322	L	94.6	Very high	94.3	Very high	69 Å²	69	46.5 Å²	46.5	36%	0.361	23%	0.228	S	C	.	.	H	α-helix	trans	-58.8	-30.1	177.2	-60.3	-179.5	0	0	0	114	H320 I325 Q326 V349 T354	H320-L322 VanDerWaalsContact C-N 3.25Å; H320-L322 PolarHBondContact O-N 3.47Å; H320-L322 VanDerWaalsContact O-N 3.07Å; L322-I325 WeakPolarHBondContact O-CG1 3.28Å; L322-Q326 PolarHBondContact O-NE2 3.31Å; L322-V349 HydrophobicContact CD2-CG1 3.95Å; L322-T354 HydrophobicContact CD2-CG2 3.53Å
323	E	95.6	Very high	94.1	Very high	92 Å²	92	44.3 Å²	44.3	43%	0.43	21%	0.214	S	C	.	.	H	α-helix	trans	-87	-37.6	176.4	-59.6	174.9	-103.5	0	0	110.6	P291 H320 F321 I325 Q326 N327	P291-E323 HydrophobicContact CB-CB 3.57Å; P291-E323 HydrophobicContact CG-CB 3.73Å; P291-E323 HydrophobicContact CG-CG 4.5Å; H320-E323 IonicContact CE1-OE1 2.72Å; H320-E323 IonicContact CG-OE1 3.61Å; H320-E323 IonicContact ND1-OE1 3.05Å; H320-E323 PolarHBondContact ND1-OE1 3.04Å; H320-E323 WeakPolarHBondContact O-CB 3.39Å; H320-E323 PolarHBondContact O-N 3.09Å; F321-E323 PolarHBondContact O-N 3.36Å; E323-I325 PolarHBondContact O-N 3.23Å; E323-Q326 WeakPolarHBondContact O-CB 3.3Å; E323-Q326 PolarHBondContact O-N 2.94Å; E323-N327 PolarHBondContact O-ND2 2.98Å
324	V	95.4	Very high	94	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.006	24%	0.237	C	C	.	.	H	α-helix	trans	-61.2	-43.8	179.1	176.8	0	0	0	0	111.8	P291 C294 L295 T317 H320 F321 Q326 N327	P291-V324 HydrophobicContact CB-CG2 4.03Å; C294-V324 VanDerWaalsContact SG-CG2 3.54Å; L295-V324 HydrophobicContact CD1-CG1 3.51Å; L295-V324 HydrophobicContact CD2-CG1 4.21Å; L295-V324 HydrophobicContact CG-CG1 3.74Å; T317-V324 HydrophobicContact CG2-CG1 4.43Å; H320-V324 WeakPolarHBondContact O-CG2 3.45Å; H320-V324 PolarHBondContact O-N 3.32Å; H320-V324 VanDerWaalsContact O-N 3.08Å; F321-V324 PolarHBondContact O-N 3.27Å; F321-V324 VanDerWaalsContact O-N 3.16Å; V324-Q326 PolarHBondContact O-N 3.48Å; V324-Q326 VanDerWaalsContact O-N 3.12Å; V324-N327 WeakPolarHBondContact O-CB 3.38Å; V324-N327 PolarHBondContact O-N 3.01Å
325	I	94.8	Very high	93.8	Very high	16 Å²	16	47.4 Å²	47.4	8%	0.082	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-15.8	-178.9	61.9	174.7	0	0	0	114.3	F321 L322 E323 N327 F330 A358 M361	F321-I325 HydrophobicContact CD1-CG2 4Å; F321-I325 HydrophobicContact CD2-CG2 4.33Å; F321-I325 HydrophobicContact CE1-CG2 3.55Å; F321-I325 HydrophobicContact CE2-CG2 3.92Å; F321-I325 HydrophobicContact CG-CG2 4.37Å; F321-I325 HydrophobicContact CZ-CG2 3.51Å; F321-I325 WeakPolarHBondContact O-CG1 3.26Å; F321-I325 WeakPolarHBondContact O-CG2 3.46Å; F321-I325 PolarHBondContact O-N 2.78Å; L322-I325 WeakPolarHBondContact O-CG1 3.28Å; E323-I325 PolarHBondContact O-N 3.23Å; I325-N327 VanDerWaalsContact C-N 3.35Å; I325-F330 HydrophobicContact CB-CD1 4.11Å; I325-F330 HydrophobicContact CB-CE1 4.22Å; I325-F330 HydrophobicContact CB-CG 4.45Å; I325-F330 HydrophobicContact CG2-CD1 4.17Å; I325-F330 HydrophobicContact CG2-CD2 4.17Å; I325-F330 HydrophobicContact CG2-CE1 4.02Å; I325-F330 HydrophobicContact CG2-CE2 4.02Å; I325-F330 HydrophobicContact CG2-CG 4.25Å; I325-F330 HydrophobicContact CG2-CZ 3.95Å; I325-A358 HydrophobicContact CB-CB 4.32Å; I325-A358 HydrophobicContact CD1-CB 3.98Å; I325-A358 HydrophobicContact CG2-CB 3.89Å; I325-M361 WeakPolarHBondContact O-CE 3.5Å
326	Q	93.8	Very high	93.7	Very high	150 Å²	150	45.8 Å²	45.8	70%	0.701	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-14.7	175.4	-57.8	176.5	45.1	0	0	112.4	L322 E323 V324	L322-Q326 PolarHBondContact O-NE2 3.31Å; E323-Q326 WeakPolarHBondContact O-CB 3.3Å; E323-Q326 PolarHBondContact O-N 2.94Å; V324-Q326 PolarHBondContact O-N 3.48Å; V324-Q326 VanDerWaalsContact O-N 3.12Å
327	N	94.4	Very high	93.6	Very high	46 Å²	46	44.5 Å²	44.5	25%	0.246	24%	0.235	C	C	.	.	S	Bend	trans	-93.1	147.4	-174	-78.3	-84.3	0	0	0	112.5	S292 E323 V324 I325 E329 F330	S292-N327 WeakPolarHBondContact CA-OD1 3.34Å; S292-N327 WeakPolarHBondContact CB-OD1 3.4Å; E323-N327 PolarHBondContact O-ND2 2.98Å; V324-N327 WeakPolarHBondContact O-CB 3.38Å; V324-N327 PolarHBondContact O-N 3.01Å; I325-N327 VanDerWaalsContact C-N 3.35Å; N327-E329 PolarHBondContact O-N 3.11Å; N327-E329 VanDerWaalsContact O-N 3.14Å; N327-F330 PolarHBondContact O-N 2.88Å; N327-F330 VanDerWaalsContact O-N 3.13Å
328	Q	90.3	Very high	93.5	Very high	90 Å²	90	44.6 Å²	44.6	42%	0.421	24%	0.235	S	C	.	.	H	α-helix	trans	-62.2	-25.1	-175.5	-171.4	175.7	-2.2	0	0	113.5	F330 L331 L332	Q328-F330 VanDerWaalsContact C-N 3.29Å; Q328-F330 PolarHBondContact O-N 3.33Å; Q328-L331 PolarHBondContact O-N 2.89Å; Q328-L332 HydrophobicContact CG-CD1 4.09Å; Q328-L332 HydrophobicContact CG-CG 4.34Å; Q328-L332 WeakPolarHBondContact O-CG 3.2Å; Q328-L332 PolarHBondContact O-N 2.81Å
329	E	90.9	Very high	93.5	Very high	18 Å²	18	45.9 Å²	45.9	8%	0.084	24%	0.244	C	C	.	.	H	α-helix	trans	-56.7	-42.9	174.7	-66.1	-165.3	170.2	0	0	112.1	R18 N293 L295 G296 N327 L331 L332 L333	R18-E329 IonicContact CZ-OE1 3.56Å; R18-E329 VanDerWaalsContact NH1-CG 3.28Å; R18-E329 IonicContact NH1-OE1 3.21Å; R18-E329 PolarHBondContact NH1-OE1 3.34Å; R18-E329 IonicContact NH2-OE1 3.76Å; R18-E329 PolarHBondContact NH2-OE1 3.23Å; N293-E329 WeakPolarHBondContact CA-OE2 3.31Å; L295-E329 HydrophobicContact CB-CB 4.19Å; L295-E329 WeakPolarHBondContact CB-OE2 3.32Å; L295-E329 HydrophobicContact CD1-CB 3.97Å; G296-E329 PolarHBondContact N-OE2 3.11Å; N327-E329 PolarHBondContact O-N 3.11Å; N327-E329 VanDerWaalsContact O-N 3.14Å; E329-L331 PolarHBondContact O-N 2.83Å; E329-L332 PolarHBondContact O-N 2.73Å; E329-L333 PolarHBondContact O-N 3.41Å
330	F	94.4	Very high	93.4	Very high	6 Å²	6	46.4 Å²	46.4	3%	0.026	25%	0.245	C	C	.	.	H	α-helix	trans	-60.3	-45.5	179.6	177.4	-105.8	0	0	0	111.5	L295 I325 N327 Q328 L332 L333 I338 L341 A358 W362	L295-F330 HydrophobicContact CD1-CB 3.95Å; I325-F330 HydrophobicContact CB-CD1 4.11Å; I325-F330 HydrophobicContact CB-CE1 4.22Å; I325-F330 HydrophobicContact CB-CG 4.45Å; I325-F330 HydrophobicContact CG2-CD1 4.17Å; I325-F330 HydrophobicContact CG2-CD2 4.17Å; I325-F330 HydrophobicContact CG2-CE1 4.02Å; I325-F330 HydrophobicContact CG2-CE2 4.02Å; I325-F330 HydrophobicContact CG2-CG 4.25Å; I325-F330 HydrophobicContact CG2-CZ 3.95Å; N327-F330 PolarHBondContact O-N 2.88Å; N327-F330 VanDerWaalsContact O-N 3.13Å; Q328-F330 VanDerWaalsContact C-N 3.29Å; Q328-F330 PolarHBondContact O-N 3.33Å; F330-L332 PolarHBondContact O-N 2.89Å; F330-L333 HydrophobicContact CD2-CD1 3.95Å; F330-L333 WeakPolarHBondContact O-CB 3.35Å; F330-L333 PolarHBondContact O-N 3.4Å; F330-I338 HydrophobicContact CD2-CD1 4.24Å; F330-I338 HydrophobicContact CE2-CD1 3.65Å; F330-I338 HydrophobicContact CZ-CD1 4.04Å; F330-L341 HydrophobicContact CE2-CD1 4.45Å; F330-A358 HydrophobicContact CE1-CB 4.36Å; F330-A358 WeakPolarHBondContact CE1-O 3.36Å; F330-A358 HydrophobicContact CZ-CB 4.2Å; F330-W362 HydrophobicContact CE1-CB 4.05Å; F330-W362 HydrophobicContact CZ-CB 4.38Å; F330-W362 VanDerWaalsContact O-CD1 3.27Å
331	L	92.8	Very high	93.3	Very high	36 Å²	36	43.9 Å²	43.9	19%	0.188	23%	0.233	C	C	.	.	H	α-helix	trans	-64.8	-25.4	179.4	-59.9	178.5	0	0	0	113.3	Q328 E329 M361 F365 R370	Q328-L331 PolarHBondContact O-N 2.89Å; E329-L331 PolarHBondContact O-N 2.83Å; L331-M361 HydrophobicContact CD2-CB 4.42Å; L331-F365 HydrophobicContact CB-CD1 4.41Å; L331-F365 HydrophobicContact CB-CD2 4.06Å; L331-F365 HydrophobicContact CB-CE2 4.34Å; L331-F365 HydrophobicContact CB-CG 4.09Å; L331-F365 HydrophobicContact CD1-CD2 3.92Å; L331-F365 HydrophobicContact CD1-CE2 4.29Å; L331-F365 HydrophobicContact CD2-CB 4.46Å; L331-F365 HydrophobicContact CG-CD2 4.48Å; L331-R370 PolarHBondContact O-NH1 3.13Å; L331-R370 PolarHBondContact O-NH2 3.14Å
332	L	92.8	Very high	93.3	Very high	44 Å²	44	44.1 Å²	44.1	23%	0.23	23%	0.234	C	C	.	.	H	α-helix	trans	-88.8	-10.8	179.5	-65.1	173.9	0	0	0	113.7	F22 Q328 E329 F330 F365	F22-L332 HydrophobicContact CD1-CB 4.45Å; F22-L332 HydrophobicContact CD2-CD1 4.49Å; F22-L332 HydrophobicContact CE1-CB 3.78Å; F22-L332 WeakPolarHBondContact CE1-O 3.4Å; F22-L332 HydrophobicContact CE2-CB 4.12Å; F22-L332 HydrophobicContact CE2-CD1 3.93Å; F22-L332 HydrophobicContact CZ-CB 3.58Å; F22-L332 HydrophobicContact CZ-CD1 4.22Å; Q328-L332 HydrophobicContact CG-CD1 4.09Å; Q328-L332 HydrophobicContact CG-CG 4.34Å; Q328-L332 WeakPolarHBondContact O-CG 3.2Å; Q328-L332 PolarHBondContact O-N 2.81Å; E329-L332 PolarHBondContact O-N 2.73Å; F330-L332 PolarHBondContact O-N 2.89Å; L332-F365 HydrophobicContact CD2-CE1 4.03Å; L332-F365 HydrophobicContact CD2-CZ 4.12Å
333	L	92.8	Very high	93.2	Very high	15 Å²	15	43.9 Å²	43.9	8%	0.079	24%	0.238	C	C	.	.			trans	-56.5	140.4	-178.7	-73.3	176.9	0	0	0	112.8	L295 E329 F330 E337 I338 L341 W362	L295-L333 HydrophobicContact CD1-CD1 3.85Å; L295-L333 HydrophobicContact CD1-CD2 4.47Å; L295-L333 HydrophobicContact CD1-CG 4.26Å; L295-L333 HydrophobicContact CD2-CD1 4.12Å; E329-L333 PolarHBondContact O-N 3.41Å; F330-L333 HydrophobicContact CD2-CD1 3.95Å; F330-L333 WeakPolarHBondContact O-CB 3.35Å; F330-L333 PolarHBondContact O-N 3.4Å; L333-E337 HydrophobicContact CB-CB 4.47Å; L333-E337 HydrophobicContact CD2-CB 4.15Å; L333-I338 HydrophobicContact CB-CD1 3.93Å; L333-I338 HydrophobicContact CB-CG1 4.15Å; L333-I338 HydrophobicContact CD1-CD1 3.83Å; L333-L341 HydrophobicContact CD1-CD1 3.54Å; L333-W362 WeakPolarHBondContact O-CZ2 3.44Å; L333-W362 PolarHBondContact O-NE1 2.85Å
334	P	92.3	Very high	93.1	Very high	74 Å²	74	40.2 Å²	40.2	48%	0.481	22%	0.223	S	C	.	.			trans	-66.3	154.7	168.4	-19.4	32.4	0	0	0	112.6	A336 E337 I338	P334-A336 PolarHBondContact O-N 3.49Å; P334-A336 VanDerWaalsContact O-N 3.12Å; P334-E337 PolarHBondContact O-N 2.95Å; P334-I338 PolarHBondContact O-N 3.36Å
335	T	92.1	Very high	92.9	Very high	42 Å²	42	42.5 Å²	42.5	26%	0.258	24%	0.235	S	C	.	.	H	α-helix	trans	-50.2	-40.8	178.4	-46.4	0	0	0	0	112.7	E337 I338 V339 W362 D373 L377	T335-E337 VanDerWaalsContact C-N 3.33Å; T335-E337 PolarHBondContact O-N 3.09Å; T335-I338 PolarHBondContact O-N 2.9Å; T335-V339 HydrophobicContact CG2-CG2 4.48Å; T335-V339 WeakPolarHBondContact O-CG2 3.4Å; T335-V339 PolarHBondContact O-N 3.18Å; T335-W362 HydrophobicContact CG2-CH2 4.31Å; T335-W362 WeakPolarHBondContact OG1-CH2 3.47Å; T335-D373 WeakPolarHBondContact CB-OD2 3.46Å; T335-D373 HydrophobicContact CG2-CB 3.89Å; T335-D373 WeakPolarHBondContact CG2-OD2 3.34Å; T335-D373 PolarHBondContact OG1-OD2 3.07Å; T335-L377 HydrophobicContact CG2-CD1 4.34Å; T335-L377 HydrophobicContact CG2-CD2 4.12Å; T335-L377 HydrophobicContact CG2-CG 4.48Å
336	A	92	Very high	92.8	Very high	67 Å²	67	44 Å²	44	55%	0.554	24%	0.243	S	C	*	.	H	α-helix	trans	-60.7	-36.8	179.8	0	0	0	0	0	113.5	P334 K340	P334-A336 PolarHBondContact O-N 3.49Å; P334-A336 VanDerWaalsContact O-N 3.12Å; A336-K340 WeakPolarHBondContact O-CG 3.1Å; A336-K340 PolarHBondContact O-N 3.22Å
337	E	92.4	Very high	92.8	Very high	23 Å²	23	36.8 Å²	36.8	11%	0.107	21%	0.21	C	C	.	.	H	α-helix	trans	-76.5	-34.2	176	-74.3	-54.1	129.3	0	0	112.1	R298 L333 P334 T335 V339 K340 L341	R298-E337 IonicContact CZ-OE2 3.21Å; R298-E337 IonicContact NH1-OE2 2.68Å; R298-E337 PolarHBondContact NH1-OE2 2.92Å; R298-E337 IonicContact NH2-OE2 2.7Å; R298-E337 PolarHBondContact NH2-OE2 3.43Å; L333-E337 HydrophobicContact CB-CB 4.47Å; L333-E337 HydrophobicContact CD2-CB 4.15Å; P334-E337 PolarHBondContact O-N 2.95Å; T335-E337 VanDerWaalsContact C-N 3.33Å; T335-E337 PolarHBondContact O-N 3.09Å; E337-V339 VanDerWaalsContact C-N 3.33Å; E337-K340 PolarHBondContact O-N 3.22Å; E337-K340 VanDerWaalsContact OE1-CD 3.31Å; E337-K340 WeakPolarHBondContact OE1-CD 3.33Å; E337-K340 VanDerWaalsContact OE1-CE 3.22Å; E337-K340 WeakPolarHBondContact OE1-CE 3.35Å; E337-K340 IonicContact OE1-NZ 3.57Å; E337-K340 PolarHBondContact OE1-NZ 3.47Å; E337-L341 WeakPolarHBondContact O-CB 3.3Å; E337-L341 VanDerWaalsContact O-CG 3.28Å; E337-L341 WeakPolarHBondContact O-CG 3.4Å; E337-L341 PolarHBondContact O-N 3.29Å
338	I	94.3	Very high	92.7	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.01	21%	0.212	C	C	.	.	H	α-helix	trans	-62.8	-41.6	171	-62.2	-64.2	0	0	0	110.7	F330 L333 P334 T335 L341 L342 L359 W362 L377	F330-I338 HydrophobicContact CD2-CD1 4.24Å; F330-I338 HydrophobicContact CE2-CD1 3.65Å; F330-I338 HydrophobicContact CZ-CD1 4.04Å; L333-I338 HydrophobicContact CB-CD1 3.93Å; L333-I338 HydrophobicContact CB-CG1 4.15Å; L333-I338 HydrophobicContact CD1-CD1 3.83Å; P334-I338 PolarHBondContact O-N 3.36Å; T335-I338 PolarHBondContact O-N 2.9Å; I338-L341 PolarHBondContact O-N 3.38Å; I338-L342 HydrophobicContact CG2-CD1 3.64Å; I338-L342 HydrophobicContact CG2-CG 3.99Å; I338-L342 WeakPolarHBondContact O-CB 3.31Å; I338-L342 VanDerWaalsContact O-CG 3.3Å; I338-L342 WeakPolarHBondContact O-CG 3.32Å; I338-L342 PolarHBondContact O-N 3.48Å; I338-L359 HydrophobicContact CG2-CD1 4.46Å; I338-W362 HydrophobicContact CD1-CD2 4.31Å; I338-W362 HydrophobicContact CD1-CG 4.03Å; I338-W362 HydrophobicContact CG1-CD2 3.9Å; I338-W362 HydrophobicContact CG1-CG 4.15Å; I338-W362 HydrophobicContact CG1-CZ2 3.95Å; I338-L377 HydrophobicContact CB-CD2 4.44Å; I338-L377 HydrophobicContact CG2-CD2 3.83Å
339	V	93.9	Very high	92.8	Very high	33 Å²	33	33.1 Å²	33.1	20%	0.2	19%	0.193	C	C	.	.	H	α-helix	trans	-60.6	-48.9	173.8	169.1	0	0	0	0	111.2	T335 E337 L341 L342 S343 L377 Y380	T335-V339 HydrophobicContact CG2-CG2 4.48Å; T335-V339 WeakPolarHBondContact O-CG2 3.4Å; T335-V339 PolarHBondContact O-N 3.18Å; E337-V339 VanDerWaalsContact C-N 3.33Å; V339-L341 VanDerWaalsContact C-N 3.33Å; V339-L341 PolarHBondContact O-N 3.2Å; V339-L342 PolarHBondContact O-N 3.28Å; V339-S343 VanDerWaalsContact O-CB 3.26Å; V339-S343 WeakPolarHBondContact O-CB 3.46Å; V339-S343 PolarHBondContact O-N 3.47Å; V339-S343 PolarHBondContact O-OG 2.84Å; V339-L377 HydrophobicContact CG2-CD2 3.71Å; V339-Y380 HydrophobicContact CG1-CD2 4.49Å; V339-Y380 HydrophobicContact CG1-CE1 4.15Å; V339-Y380 HydrophobicContact CG1-CE2 3.82Å; V339-Y380 HydrophobicContact CG2-CE2 4.16Å
340	K	92.1	Very high	92.9	Very high	93 Å²	93	34.7 Å²	34.7	40%	0.404	21%	0.205	S	C	.	.	H	α-helix	trans	-54.3	-48.8	174.5	-73.6	-176.1	-168.1	166.5	0	111.1	D302 A336 E337 S343	D302-K340 IonicContact OD2-NZ 2.68Å; D302-K340 PolarHBondContact OD2-NZ 2.69Å; A336-K340 WeakPolarHBondContact O-CG 3.1Å; A336-K340 PolarHBondContact O-N 3.22Å; E337-K340 PolarHBondContact O-N 3.22Å; E337-K340 VanDerWaalsContact OE1-CD 3.31Å; E337-K340 WeakPolarHBondContact OE1-CD 3.33Å; E337-K340 VanDerWaalsContact OE1-CE 3.22Å; E337-K340 WeakPolarHBondContact OE1-CE 3.35Å; E337-K340 IonicContact OE1-NZ 3.57Å; E337-K340 PolarHBondContact OE1-NZ 3.47Å; K340-S343 PolarHBondContact O-OG 3.14Å
341	L	93.4	Very high	92.8	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.016	22%	0.221	C	C	.	.	H	α-helix	trans	-61.8	-56	179.1	-70.6	170.5	0	0	0	112.1	L295 T317 M318 F330 L333 E337 I338 V339 S343 S344 I347	L295-L341 HydrophobicContact CD2-CD1 4.31Å; T317-L341 HydrophobicContact CG2-CD2 3.95Å; M318-L341 HydrophobicContact CE-CD2 3.46Å; M318-L341 VanDerWaalsContact CE-CD2 3.46Å; F330-L341 HydrophobicContact CE2-CD1 4.45Å; L333-L341 HydrophobicContact CD1-CD1 3.54Å; E337-L341 WeakPolarHBondContact O-CB 3.3Å; E337-L341 VanDerWaalsContact O-CG 3.28Å; E337-L341 WeakPolarHBondContact O-CG 3.4Å; E337-L341 PolarHBondContact O-N 3.29Å; I338-L341 PolarHBondContact O-N 3.38Å; V339-L341 VanDerWaalsContact C-N 3.33Å; V339-L341 PolarHBondContact O-N 3.2Å; L341-S343 PolarHBondContact O-N 3.32Å; L341-S344 VanDerWaalsContact O-CB 3.31Å; L341-S344 WeakPolarHBondContact O-CB 3.48Å; L341-S344 PolarHBondContact O-N 2.95Å; L341-I347 WeakPolarHBondContact O-CD1 3.35Å
342	L	93.5	Very high	92.8	Very high	6 Å²	6	36.4 Å²	36.4	3%	0.031	21%	0.214	C	C	.	.	H	α-helix	trans	-62.7	-26.8	-177.3	-67.9	179	0	0	0	113.2	I338 V339 S344 I355 L359 L377 R434	I338-L342 HydrophobicContact CG2-CD1 3.64Å; I338-L342 HydrophobicContact CG2-CG 3.99Å; I338-L342 WeakPolarHBondContact O-CB 3.31Å; I338-L342 VanDerWaalsContact O-CG 3.3Å; I338-L342 WeakPolarHBondContact O-CG 3.32Å; I338-L342 PolarHBondContact O-N 3.48Å; V339-L342 PolarHBondContact O-N 3.28Å; L342-S344 PolarHBondContact O-N 3.04Å; L342-I355 HydrophobicContact CD2-CG2 3.46Å; L342-I355 VanDerWaalsContact CD2-CG2 3.46Å; L342-L359 HydrophobicContact CD1-CD1 4.22Å; L342-L359 HydrophobicContact CD1-CD2 4.46Å; L342-L377 HydrophobicContact CD1-CD2 4.24Å; L342-R434 PolarHBondContact O-NH1 3.49Å; L342-R434 PolarHBondContact O-NH2 3.17Å
343	S	93.2	Very high	92.9	Very high	64 Å²	64	37.4 Å²	37.4	45%	0.448	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-13.5	175.2	75.9	0	0	0	0	114.5	V339 K340 L341	V339-S343 VanDerWaalsContact O-CB 3.26Å; V339-S343 WeakPolarHBondContact O-CB 3.46Å; V339-S343 PolarHBondContact O-N 3.47Å; V339-S343 PolarHBondContact O-OG 2.84Å; K340-S343 PolarHBondContact O-OG 3.14Å; L341-S343 PolarHBondContact O-N 3.32Å
344	S	92.9	Very high	92.9	Very high	16 Å²	16	38.1 Å²	38.1	11%	0.112	22%	0.223	C	C	.	.			trans	-77.6	131.3	-176.8	-178.1	0	0	0	0	113.1	M318 L341 L342 D346 I347 R434	M318-S344 PolarHBondContact SD-OG 3.34Å; L341-S344 VanDerWaalsContact O-CB 3.31Å; L341-S344 WeakPolarHBondContact O-CB 3.48Å; L341-S344 PolarHBondContact O-N 2.95Å; L342-S344 PolarHBondContact O-N 3.04Å; S344-D346 VanDerWaalsContact C-N 3.28Å; S344-D346 PolarHBondContact OG-N 3.33Å; S344-I347 WeakPolarHBondContact O-CG1 3.48Å; S344-R434 PolarHBondContact O-NH1 2.79Å
345	D	91.9	Very high	93.1	Very high	48 Å²	48	34.6 Å²	34.6	26%	0.257	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-9.6	173	-86.7	16.5	0	0	0	113.2	R382 K435	D345-R382 IonicContact OD1-CZ 3.73Å; D345-R382 IonicContact OD1-NH1 3.14Å; D345-R382 PolarHBondContact OD1-NH1 3.43Å; D345-R382 IonicContact OD1-NH2 3.28Å; D345-R382 PolarHBondContact OD1-NH2 3.22Å; D345-R382 IonicContact OD2-NH2 2.73Å; D345-R382 PolarHBondContact OD2-NH2 2.7Å; D345-R382 VanDerWaalsContact OD2-NH2 3.12Å; D345-K435 HydrophobicContact CB-CG 4.46Å; D345-K435 PolarHBondContact O-N 3.02Å
346	D	92.6	Very high	93.2	Very high	47 Å²	47	32.8 Å²	32.8	25%	0.251	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	0	-171.9	-74.6	-70.3	0	0	0	114.6	S344 N348 K435 R462	S344-D346 VanDerWaalsContact C-N 3.28Å; S344-D346 PolarHBondContact OG-N 3.33Å; D346-N348 PolarHBondContact O-N 3.16Å; D346-K435 WeakPolarHBondContact OD1-CD 3.36Å; D346-K435 VanDerWaalsContact OD1-CE 3.26Å; D346-K435 WeakPolarHBondContact OD1-CE 3.47Å; D346-K435 IonicContact OD1-NZ 3.28Å; D346-K435 PolarHBondContact OD1-NZ 3.3Å; D346-K435 WeakPolarHBondContact OD2-CE 3.45Å; D346-K435 IonicContact OD2-NZ 3.69Å; D346-K435 PolarHBondContact OD2-NZ 3.47Å; D346-R462 HydrophobicContact CB-CG 4.44Å; D346-R462 WeakPolarHBondContact O-CD 3.45Å
347	I	93.6	Very high	93.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.176	C	C	.	.			trans	-58	125.1	176.7	-49	168.4	0	0	0	110.1	M318 F321 L341 S344 V349 I355 S436	M318-I347 HydrophobicContact CE-CG1 4.38Å; M318-I347 HydrophobicContact SD-CB 4.46Å; M318-I347 HydrophobicContact SD-CG1 3.79Å; F321-I347 HydrophobicContact CB-CG2 3.78Å; F321-I347 HydrophobicContact CD1-CG2 3.45Å; F321-I347 VanDerWaalsContact CD1-CG2 3.45Å; F321-I347 HydrophobicContact CD2-CG2 3.82Å; F321-I347 HydrophobicContact CE1-CG2 3.9Å; F321-I347 HydrophobicContact CE2-CG2 4.24Å; F321-I347 HydrophobicContact CG-CG2 3.39Å; F321-I347 HydrophobicContact CZ-CG2 4.28Å; L341-I347 WeakPolarHBondContact O-CD1 3.35Å; S344-I347 WeakPolarHBondContact O-CG1 3.48Å; I347-V349 HydrophobicContact CG2-CG1 3.99Å; I347-V349 PolarHBondContact O-N 2.93Å; I347-I355 HydrophobicContact CB-CD1 4.3Å; I347-I355 HydrophobicContact CD1-CD1 3.77Å; I347-I355 HydrophobicContact CG2-CD1 4.22Å; I347-S436 WeakPolarHBondContact O-CB 3.48Å; I347-S436 PolarHBondContact O-OG 3.32Å
348	N	93.4	Very high	93.4	Very high	54 Å²	54	31.6 Å²	31.6	29%	0.289	17%	0.172	S	C	.	.			trans	-82.2	98.7	177.6	-167.2	38	0	0	0	110.7	M318 E319 D346	M318-N348 WeakPolarHBondContact O-CB 3.33Å; M318-N348 PolarHBondContact O-N 3.07Å; E319-N348 WeakPolarHBondContact O-CB 3.35Å; E319-N348 PolarHBondContact O-ND2 3.13Å; D346-N348 PolarHBondContact O-N 3.16Å
349	V	92.7	Very high	93.5	Very high	5 Å²	5	31.6 Å²	31.6	3%	0.03	17%	0.172	C	C	.	.			trans	-142.5	151.8	178.2	-74.4	0	0	0	0	110.7	F321 L322 I347 D351 T354 I355 S436 T437	F321-V349 HydrophobicContact CD1-CG1 3.8Å; F321-V349 HydrophobicContact CE1-CG1 4.34Å; L322-V349 HydrophobicContact CD2-CG1 3.95Å; I347-V349 HydrophobicContact CG2-CG1 3.99Å; I347-V349 PolarHBondContact O-N 2.93Å; V349-D351 VanDerWaalsContact C-N 3.34Å; V349-D351 WeakPolarHBondContact CG2-O 3.29Å; V349-T354 HydrophobicContact CB-CG2 4.46Å; V349-T354 HydrophobicContact CG1-CG2 3.95Å; V349-I355 HydrophobicContact CB-CG1 4.44Å; V349-I355 HydrophobicContact CG1-CD1 4.29Å; V349-I355 HydrophobicContact CG1-CG1 3.91Å; V349-I355 HydrophobicContact CG2-CD1 3.57Å; V349-I355 HydrophobicContact CG2-CG1 3.96Å; V349-S436 WeakPolarHBondContact O-CB 3.36Å; V349-S436 PolarHBondContact O-OG 3.02Å; V349-T437 HydrophobicContact CG2-CG2 4.23Å
350	P	91.4	Very high	93.5	Very high	51 Å²	51	30.1 Å²	30.1	33%	0.331	16%	0.162	S	C	.	.	S	Bend	trans	-69.8	-32.8	176.1	28.4	-34.6	0	0	0	112.3
351	D	92.1	Very high	93.6	Very high	68 Å²	68	29.4 Å²	29.4	36%	0.364	16%	0.161	S	C	.	.			trans	-153.7	169	-173.2	53.3	60.1	0	0	0	112.2	V349 E353 T354	V349-D351 VanDerWaalsContact C-N 3.34Å; V349-D351 WeakPolarHBondContact CG2-O 3.29Å; D351-E353 VanDerWaalsContact C-N 3.35Å; D351-E353 PolarHBondContact OD1-N 3.37Å; D351-T354 WeakPolarHBondContact OD1-CB 3.25Å; D351-T354 PolarHBondContact OD1-N 2.99Å; D351-T354 PolarHBondContact OD1-OG1 3.01Å
352	E	93.4	Very high	93.7	Very high	9 Å²	9	29.3 Å²	29.3	4%	0.042	16%	0.161	C	C	.	.	H	α-helix	trans	-77.2	-21.6	176.8	-167.5	71.9	-173.3	0	0	112.4	T354 I355 F356 I381 R382 L386 R434	E352-T354 VanDerWaalsContact C-N 3.3Å; E352-T354 PolarHBondContact O-N 3.14Å; E352-I355 PolarHBondContact O-N 3.01Å; E352-F356 PolarHBondContact O-N 2.91Å; E352-I381 HydrophobicContact CG-CG2 3.89Å; E352-I381 WeakPolarHBondContact OE1-CA 3.26Å; E352-I381 WeakPolarHBondContact OE1-CG2 3.41Å; E352-R382 HydrophobicContact CG-CB 3.86Å; E352-R382 PolarHBondContact OE1-N 3.21Å; E352-R382 VanDerWaalsContact OE2-CD 3.28Å; E352-R382 WeakPolarHBondContact OE2-CD 3.48Å; E352-L386 HydrophobicContact CB-CD2 3.97Å; E352-L386 HydrophobicContact CG-CD2 4.09Å; E352-R434 IonicContact OE1-CZ 3.56Å; E352-R434 IonicContact OE1-NE 3.56Å; E352-R434 PolarHBondContact OE1-NE 3.2Å; E352-R434 IonicContact OE1-NH2 3.73Å; E352-R434 PolarHBondContact OE1-NH2 3.02Å; E352-R434 IonicContact OE2-CZ 3.23Å; E352-R434 IonicContact OE2-NE 2.8Å; E352-R434 PolarHBondContact OE2-NE 3.02Å; E352-R434 IonicContact OE2-NH2 2.73Å
353	E	94.3	Very high	93.7	Very high	65 Å²	65	29.1 Å²	29.1	30%	0.304	16%	0.16	S	C	.	.	H	α-helix	trans	-63.4	-39.9	177	175.7	166.7	180	0	0	110.7	D351 I355 F356 Q357 L386 L390	D351-E353 VanDerWaalsContact C-N 3.35Å; D351-E353 PolarHBondContact OD1-N 3.37Å; E353-I355 PolarHBondContact O-N 3.31Å; E353-F356 CarbonylContact O-C 3.59Å; E353-F356 WeakPolarHBondContact O-CA 3.06Å; E353-F356 WeakPolarHBondContact O-CB 3.18Å; E353-F356 PolarHBondContact O-N 3.13Å; E353-Q357 HydrophobicContact CG-CG 4.17Å; E353-Q357 WeakPolarHBondContact O-CG 3.49Å; E353-Q357 PolarHBondContact O-N 3.34Å; E353-Q357 PolarHBondContact OE1-NE2 3.47Å; E353-L386 HydrophobicContact CB-CD2 4.04Å; E353-L390 HydrophobicContact CB-CD2 4.33Å; E353-L390 HydrophobicContact CG-CD2 3.81Å
354	T	94.3	Very high	93.6	Very high	31 Å²	31	32.6 Å²	32.6	19%	0.19	16%	0.163	C	C	.	.	H	α-helix	trans	-54.9	-40.7	174.4	-60.4	0	0	0	0	112	L322 V349 D351 E352 A358	L322-T354 HydrophobicContact CD2-CG2 3.53Å; V349-T354 HydrophobicContact CB-CG2 4.46Å; V349-T354 HydrophobicContact CG1-CG2 3.95Å; D351-T354 WeakPolarHBondContact OD1-CB 3.25Å; D351-T354 PolarHBondContact OD1-N 2.99Å; D351-T354 PolarHBondContact OD1-OG1 3.01Å; E352-T354 VanDerWaalsContact C-N 3.3Å; E352-T354 PolarHBondContact O-N 3.14Å; T354-A358 WeakPolarHBondContact O-CB 3.17Å; T354-A358 PolarHBondContact O-N 3.11Å
355	I	94.8	Very high	93.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-71.4	-39.4	176.3	-68.3	176.4	0	0	0	111.2	F321 L342 I347 V349 E352 E353 A358 L359 I381 R434	F321-I355 HydrophobicContact CE1-CG1 4.31Å; L342-I355 HydrophobicContact CD2-CG2 3.46Å; L342-I355 VanDerWaalsContact CD2-CG2 3.46Å; I347-I355 HydrophobicContact CB-CD1 4.3Å; I347-I355 HydrophobicContact CD1-CD1 3.77Å; I347-I355 HydrophobicContact CG2-CD1 4.22Å; V349-I355 HydrophobicContact CB-CG1 4.44Å; V349-I355 HydrophobicContact CG1-CD1 4.29Å; V349-I355 HydrophobicContact CG1-CG1 3.91Å; V349-I355 HydrophobicContact CG2-CD1 3.57Å; V349-I355 HydrophobicContact CG2-CG1 3.96Å; E352-I355 PolarHBondContact O-N 3.01Å; E353-I355 PolarHBondContact O-N 3.31Å; I355-A358 PolarHBondContact O-N 3.12Å; I355-L359 PolarHBondContact O-N 3.37Å; I355-I381 HydrophobicContact CG2-CD1 4.4Å; I355-I381 HydrophobicContact CG2-CG1 4.42Å; I355-R434 VanDerWaalsContact CD1-CD 3.43Å
356	F	95.2	Very high	93.6	Very high	4 Å²	4	37 Å²	37	2%	0.018	18%	0.181	C	C	.	.	H	α-helix	trans	-61	-45.4	173.3	176	-94.4	0	0	0	112.1	E352 E353 A358 L359 M360 L378 I381 L390 L394 F400	E352-F356 PolarHBondContact O-N 2.91Å; E353-F356 CarbonylContact O-C 3.59Å; E353-F356 WeakPolarHBondContact O-CA 3.06Å; E353-F356 WeakPolarHBondContact O-CB 3.18Å; E353-F356 PolarHBondContact O-N 3.13Å; F356-A358 VanDerWaalsContact C-N 3.32Å; F356-A358 PolarHBondContact O-N 2.93Å; F356-L359 PolarHBondContact O-N 3.26Å; F356-M360 HydrophobicContact CD1-CG 4.26Å; F356-M360 HydrophobicContact CE1-CG 3.62Å; F356-M360 HydrophobicContact CE2-CG 3.91Å; F356-M360 HydrophobicContact CE2-SD 4.15Å; F356-M360 HydrophobicContact CZ-CG 3.39Å; F356-M360 HydrophobicContact CZ-SD 3.91Å; F356-M360 WeakPolarHBondContact O-CG 3.5Å; F356-M360 PolarHBondContact O-N 2.97Å; F356-L378 HydrophobicContact CD2-CD2 4.17Å; F356-L378 HydrophobicContact CE2-CD2 3.88Å; F356-I381 HydrophobicContact CB-CD1 4.24Å; F356-I381 HydrophobicContact CB-CG2 4.46Å; F356-I381 HydrophobicContact CD2-CD1 4.12Å; F356-L390 HydrophobicContact CD1-CD2 4.15Å; F356-L390 HydrophobicContact CE1-CD1 4.34Å; F356-L394 HydrophobicContact CD2-CD1 4.47Å; F356-L394 HydrophobicContact CE1-CD1 4.16Å; F356-L394 HydrophobicContact CE1-CD2 3.8Å; F356-L394 HydrophobicContact CE2-CD1 3.76Å; F356-L394 HydrophobicContact CE2-CD2 4.26Å; F356-L394 HydrophobicContact CZ-CD1 3.6Å; F356-L394 HydrophobicContact CZ-CD2 3.35Å; F356-L394 HydrophobicContact CZ-CG 4.11Å; F356-F400 HydrophobicContact CE2-CE1 4.47Å; F356-F400 HydrophobicContact CE2-CZ 4.31Å; F356-F400 AromaticContact CZ-CZ 3.99Å; F356-F400 HydrophobicContact CZ-CZ 3.99Å
357	Q	94.3	Very high	93.5	Very high	64 Å²	64	36.9 Å²	36.9	30%	0.299	18%	0.182	S	C	.	.	H	α-helix	trans	-64.3	-37	175.8	-59.8	-60	-11.5	0	0	111.6	E353 M360 M361	E353-Q357 HydrophobicContact CG-CG 4.17Å; E353-Q357 WeakPolarHBondContact O-CG 3.49Å; E353-Q357 PolarHBondContact O-N 3.34Å; E353-Q357 PolarHBondContact OE1-NE2 3.47Å; Q357-M360 CarbonylContact O-C 3.47Å; Q357-M360 PolarHBondContact O-N 3.1Å; Q357-M361 WeakPolarHBondContact O-CG 3.48Å; Q357-M361 PolarHBondContact O-N 3.31Å
358	A	95.1	Very high	93.2	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.008	22%	0.218	C	C	.	.	H	α-helix	trans	-62.9	-45.2	174.1	0	0	0	0	0	112.7	F321 I325 F330 T354 I355 F356 M360 M361 W362	F321-A358 HydrophobicContact CE1-CB 4.36Å; I325-A358 HydrophobicContact CB-CB 4.32Å; I325-A358 HydrophobicContact CD1-CB 3.98Å; I325-A358 HydrophobicContact CG2-CB 3.89Å; F330-A358 HydrophobicContact CE1-CB 4.36Å; F330-A358 WeakPolarHBondContact CE1-O 3.36Å; F330-A358 HydrophobicContact CZ-CB 4.2Å; T354-A358 WeakPolarHBondContact O-CB 3.17Å; T354-A358 PolarHBondContact O-N 3.11Å; I355-A358 PolarHBondContact O-N 3.12Å; F356-A358 VanDerWaalsContact C-N 3.32Å; F356-A358 PolarHBondContact O-N 2.93Å; A358-M360 VanDerWaalsContact C-N 3.33Å; A358-M360 PolarHBondContact O-N 3.3Å; A358-M361 PolarHBondContact O-N 2.82Å; A358-W362 PolarHBondContact O-N 2.83Å; A358-W362 VanDerWaalsContact O-N 3.1Å
359	L	95.5	Very high	92.9	Very high	2 Å²	2	48 Å²	48	1%	0.01	23%	0.232	C	C	.	.	H	α-helix	trans	-58.1	-47.2	171.3	171.3	61	0	0	0	110.6	I338 L342 I355 F356 M361 W362 V363 L374 L377 L378 I381	I338-L359 HydrophobicContact CG2-CD1 4.46Å; L342-L359 HydrophobicContact CD1-CD1 4.22Å; L342-L359 HydrophobicContact CD1-CD2 4.46Å; I355-L359 PolarHBondContact O-N 3.37Å; F356-L359 PolarHBondContact O-N 3.26Å; L359-M361 VanDerWaalsContact C-N 3.31Å; L359-M361 PolarHBondContact O-N 3.44Å; L359-W362 HydrophobicContact CD1-CE3 4.3Å; L359-W362 PolarHBondContact O-N 3.33Å; L359-W362 VanDerWaalsContact O-N 3.11Å; L359-V363 HydrophobicContact CD1-CG2 3.78Å; L359-V363 HydrophobicContact CG-CG2 4.27Å; L359-V363 WeakPolarHBondContact O-CG2 3.34Å; L359-V363 PolarHBondContact O-N 2.78Å; L359-L374 HydrophobicContact CD2-CD1 4.49Å; L359-L377 HydrophobicContact CD1-CB 3.86Å; L359-L377 HydrophobicContact CD1-CD1 3.83Å; L359-L377 HydrophobicContact CD1-CG 4.3Å; L359-L377 HydrophobicContact CD2-CB 3.92Å; L359-L378 HydrophobicContact CD2-CD2 4.08Å; L359-I381 HydrophobicContact CB-CD1 4.03Å; L359-I381 HydrophobicContact CD2-CD1 3.5Å; L359-I381 HydrophobicContact CD2-CG1 4.43Å; L359-I381 HydrophobicContact CG-CD1 4.4Å
360	M	93.9	Very high	92.9	Very high	1 Å²	1	49 Å²	49	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-66.3	-30.3	-179.5	-67.6	-50.5	-61	0	0	113.2	F356 Q357 A358 R364 L374 M399 F400	F356-M360 HydrophobicContact CD1-CG 4.26Å; F356-M360 HydrophobicContact CE1-CG 3.62Å; F356-M360 HydrophobicContact CE2-CG 3.91Å; F356-M360 HydrophobicContact CE2-SD 4.15Å; F356-M360 HydrophobicContact CZ-CG 3.39Å; F356-M360 HydrophobicContact CZ-SD 3.91Å; F356-M360 WeakPolarHBondContact O-CG 3.5Å; F356-M360 PolarHBondContact O-N 2.97Å; Q357-M360 CarbonylContact O-C 3.47Å; Q357-M360 PolarHBondContact O-N 3.1Å; A358-M360 VanDerWaalsContact C-N 3.33Å; A358-M360 PolarHBondContact O-N 3.3Å; M360-R364 WeakPolarHBondContact O-CB 3.4Å; M360-R364 VanDerWaalsContact O-CD 3.25Å; M360-R364 WeakPolarHBondContact O-CD 3.34Å; M360-R364 WeakPolarHBondContact O-CG 3.46Å; M360-R364 PolarHBondContact O-N 3.44Å; M360-L374 HydrophobicContact SD-CD1 4.32Å; M360-M399 HydrophobicContact CE-SD 4.05Å; M360-F400 HydrophobicContact CE-CE2 4.49Å; M360-F400 HydrophobicContact CE-CZ 3.87Å; M360-F400 HydrophobicContact SD-CE1 4.34Å; M360-F400 HydrophobicContact SD-CZ 3.77Å
361	M	93.6	Very high	92.7	Very high	78 Å²	78	50.2 Å²	50.2	38%	0.384	24%	0.236	S	C	.	.	H	α-helix	trans	-63	-45.5	169.1	-76.6	169	53.8	0	0	111.5	I325 L331 Q357 A358 L359 F365	I325-M361 WeakPolarHBondContact O-CE 3.5Å; L331-M361 HydrophobicContact CD2-CB 4.42Å; Q357-M361 WeakPolarHBondContact O-CG 3.48Å; Q357-M361 PolarHBondContact O-N 3.31Å; A358-M361 PolarHBondContact O-N 2.82Å; L359-M361 VanDerWaalsContact C-N 3.31Å; L359-M361 PolarHBondContact O-N 3.44Å; M361-F365 PolarHBondContact O-N 3.32Å
362	W	95.6	Very high	92.5	Very high	1 Å²	1	54.6 Å²	54.6	0%	0.004	25%	0.254	C	S	.	.	H	α-helix	trans	-65.9	-43.2	178	-179	90.8	0	0	0	112.5	F330 L333 T335 I338 A358 L359 F365 R370 L377	F330-W362 HydrophobicContact CE1-CB 4.05Å; F330-W362 HydrophobicContact CZ-CB 4.38Å; F330-W362 VanDerWaalsContact O-CD1 3.27Å; L333-W362 WeakPolarHBondContact O-CZ2 3.44Å; L333-W362 PolarHBondContact O-NE1 2.85Å; T335-W362 HydrophobicContact CG2-CH2 4.31Å; T335-W362 WeakPolarHBondContact OG1-CH2 3.47Å; I338-W362 HydrophobicContact CD1-CD2 4.31Å; I338-W362 HydrophobicContact CD1-CG 4.03Å; I338-W362 HydrophobicContact CG1-CD2 3.9Å; I338-W362 HydrophobicContact CG1-CG 4.15Å; I338-W362 HydrophobicContact CG1-CZ2 3.95Å; A358-W362 PolarHBondContact O-N 2.83Å; A358-W362 VanDerWaalsContact O-N 3.1Å; L359-W362 HydrophobicContact CD1-CE3 4.3Å; L359-W362 PolarHBondContact O-N 3.33Å; L359-W362 VanDerWaalsContact O-N 3.11Å; W362-F365 WeakPolarHBondContact O-CB 3.37Å; W362-F365 PolarHBondContact O-N 3.5Å; W362-R370 HydrophobicContact CE3-CB 4.35Å; W362-R370 HydrophobicContact CE3-CG 4.34Å; W362-R370 HydrophobicContact CH2-CB 4.06Å; W362-R370 HydrophobicContact CH2-CG 3.58Å; W362-R370 HydrophobicContact CZ2-CG 4.1Å; W362-R370 HydrophobicContact CZ3-CB 3.72Å; W362-R370 HydrophobicContact CZ3-CG 3.71Å; W362-R370 WeakPolarHBondContact O-CD 3.49Å; W362-R370 PolarHBondContact O-NH1 2.86Å; W362-L377 HydrophobicContact CE3-CD1 4.26Å; W362-L377 HydrophobicContact CH2-CD1 4.32Å; W362-L377 HydrophobicContact CZ3-CD1 3.55Å
363	V	93.3	Very high	92.2	Very high	2 Å²	2	56.7 Å²	56.7	1%	0.012	27%	0.266	C	S	.	.	H	α-helix	trans	-66.4	-41.5	176.8	176.8	0	0	0	0	111.3	L359 F365 D366 V367 R370 L374	L359-V363 HydrophobicContact CD1-CG2 3.78Å; L359-V363 HydrophobicContact CG-CG2 4.27Å; L359-V363 WeakPolarHBondContact O-CG2 3.34Å; L359-V363 PolarHBondContact O-N 2.78Å; V363-F365 PolarHBondContact O-N 2.94Å; V363-D366 CarbonylContact O-C 3.54Å; V363-D366 VanDerWaalsContact O-C 3.28Å; V363-D366 PolarHBondContact O-N 3.29Å; V363-V367 WeakPolarHBondContact O-CA 3.49Å; V363-V367 PolarHBondContact O-N 3.29Å; V363-R370 HydrophobicContact CG1-CB 4.36Å; V363-L374 HydrophobicContact CG2-CD1 4.26Å
364	R	92.1	Very high	92	Very high	137 Å²	137	53.7 Å²	53.7	52%	0.517	25%	0.252	S	S	.	.	H	α-helix	trans	-64.1	-20.9	178.7	-75.3	167.2	-176.3	151.6	0.5	113.9	M360	M360-R364 WeakPolarHBondContact O-CB 3.4Å; M360-R364 VanDerWaalsContact O-CD 3.25Å; M360-R364 WeakPolarHBondContact O-CD 3.34Å; M360-R364 WeakPolarHBondContact O-CG 3.46Å; M360-R364 PolarHBondContact O-N 3.44Å
365	F	92.9	Very high	91.8	Very high	104 Å²	104	52.4 Å²	52.4	46%	0.456	25%	0.245	S	C	.	.	H	α-helix	trans	-70.4	-32.9	177.1	-175.7	-96.4	0	0	0	113	L331 L332 M361 W362 V363	L331-F365 HydrophobicContact CB-CD1 4.41Å; L331-F365 HydrophobicContact CB-CD2 4.06Å; L331-F365 HydrophobicContact CB-CE2 4.34Å; L331-F365 HydrophobicContact CB-CG 4.09Å; L331-F365 HydrophobicContact CD1-CD2 3.92Å; L331-F365 HydrophobicContact CD1-CE2 4.29Å; L331-F365 HydrophobicContact CD2-CB 4.46Å; L331-F365 HydrophobicContact CG-CD2 4.48Å; L332-F365 HydrophobicContact CD2-CE1 4.03Å; L332-F365 HydrophobicContact CD2-CZ 4.12Å; M361-F365 PolarHBondContact O-N 3.32Å; W362-F365 WeakPolarHBondContact O-CB 3.37Å; W362-F365 PolarHBondContact O-N 3.5Å; V363-F365 PolarHBondContact O-N 2.94Å
366	D	91.7	Very high	91.6	Very high	52 Å²	52	56.6 Å²	56.6	28%	0.278	27%	0.27	S	S	.	.	S	Bend	trans	-147.5	76.1	174.5	-179.5	5.7	0	0	0	110.6	V363 Q368 H369 R370	V363-D366 CarbonylContact O-C 3.54Å; V363-D366 VanDerWaalsContact O-C 3.28Å; V363-D366 PolarHBondContact O-N 3.29Å; D366-Q368 PolarHBondContact O-N 3.38Å; D366-Q368 PolarHBondContact OD1-N 3.21Å; D366-H369 VanDerWaalsContact CG-ND1 3.28Å; D366-H369 IonicContact OD1-CE1 2.61Å; D366-H369 IonicContact OD1-CG 2.79Å; D366-H369 PolarHBondContact OD1-N 2.86Å; D366-H369 IonicContact OD1-ND1 3.84Å; D366-H369 PolarHBondContact OD1-ND1 2.72Å; D366-H369 IonicContact OD2-CE1 3.92Å; D366-H369 IonicContact OD2-CG 3.87Å; D366-H369 IonicContact OD2-ND1 3.01Å; D366-H369 PolarHBondContact OD2-ND1 3.42Å; D366-R370 HydrophobicContact CB-CG 4.29Å; D366-R370 WeakPolarHBondContact O-CB 3.41Å; D366-R370 VanDerWaalsContact O-CG 3.24Å; D366-R370 WeakPolarHBondContact O-CG 3.45Å; D366-R370 PolarHBondContact O-N 2.79Å
367	V	89.9	Confident	91.5	Very high	46 Å²	46	56.4 Å²	56.4	28%	0.279	27%	0.269	S	S	.	.	H	α-helix	trans	-61	-33.6	-176.8	-178.2	0	0	0	0	111.9	V363 H369 Q371	V363-V367 WeakPolarHBondContact O-CA 3.49Å; V363-V367 PolarHBondContact O-N 3.29Å; V367-H369 PolarHBondContact O-N 2.73Å; V367-Q371 HydrophobicContact CG1-CB 4.23Å; V367-Q371 WeakPolarHBondContact O-CB 3.21Å; V367-Q371 PolarHBondContact O-N 2.73Å
368	Q	87.2	Confident	91.5	Very high	162 Å²	162	53.5 Å²	53.5	76%	0.757	26%	0.256	S	S	*	.	H	α-helix	trans	-66.2	-39	-170.7	-65.2	-174.8	-1.3	0	0	112.5	D366	D366-Q368 PolarHBondContact O-N 3.38Å; D366-Q368 PolarHBondContact OD1-N 3.21Å
369	H	88.2	Confident	91.4	Very high	124 Å²	124	55.5 Å²	55.5	57%	0.574	27%	0.272	S	S	*	.	H	α-helix	trans	-91.6	-43.6	175.1	-52.4	100.7	0	0	0	111.5	D366 V367 Q371	D366-H369 VanDerWaalsContact CG-ND1 3.28Å; D366-H369 IonicContact OD1-CE1 2.61Å; D366-H369 IonicContact OD1-CG 2.79Å; D366-H369 PolarHBondContact OD1-N 2.86Å; D366-H369 IonicContact OD1-ND1 3.84Å; D366-H369 PolarHBondContact OD1-ND1 2.72Å; D366-H369 IonicContact OD2-CE1 3.92Å; D366-H369 IonicContact OD2-CG 3.87Å; D366-H369 IonicContact OD2-ND1 3.01Å; D366-H369 PolarHBondContact OD2-ND1 3.42Å; V367-H369 PolarHBondContact O-N 2.73Å; H369-Q371 PolarHBondContact O-N 3.32Å
370	R	91.5	Very high	91.3	Very high	27 Å²	27	59.6 Å²	59.6	10%	0.102	29%	0.288	C	S	.	.	H	α-helix	trans	-80.5	-16.7	-167.9	-58.9	173.8	175.4	-175.7	-6	114.8	L331 W362 V363 D366 Q372 D373	L331-R370 PolarHBondContact O-NH1 3.13Å; L331-R370 PolarHBondContact O-NH2 3.14Å; W362-R370 HydrophobicContact CE3-CB 4.35Å; W362-R370 HydrophobicContact CE3-CG 4.34Å; W362-R370 HydrophobicContact CH2-CB 4.06Å; W362-R370 HydrophobicContact CH2-CG 3.58Å; W362-R370 HydrophobicContact CZ2-CG 4.1Å; W362-R370 HydrophobicContact CZ3-CB 3.72Å; W362-R370 HydrophobicContact CZ3-CG 3.71Å; W362-R370 WeakPolarHBondContact O-CD 3.49Å; W362-R370 PolarHBondContact O-NH1 2.86Å; V363-R370 HydrophobicContact CG1-CB 4.36Å; D366-R370 HydrophobicContact CB-CG 4.29Å; D366-R370 WeakPolarHBondContact O-CB 3.41Å; D366-R370 VanDerWaalsContact O-CG 3.24Å; D366-R370 WeakPolarHBondContact O-CG 3.45Å; D366-R370 PolarHBondContact O-N 2.79Å; R370-Q372 PolarHBondContact O-N 3.26Å; R370-D373 PolarHBondContact O-N 3.12Å
371	Q	87.6	Confident	91.4	Very high	76 Å²	76	59.5 Å²	59.5	36%	0.355	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-26.8	175.2	-175.9	175.2	-5.6	0	0	112.2	V367 H369 D373 L374	V367-Q371 HydrophobicContact CG1-CB 4.23Å; V367-Q371 WeakPolarHBondContact O-CB 3.21Å; V367-Q371 PolarHBondContact O-N 2.73Å; H369-Q371 PolarHBondContact O-N 3.32Å; Q371-D373 VanDerWaalsContact C-N 3.33Å; Q371-D373 PolarHBondContact O-N 3.32Å; Q371-L374 WeakPolarHBondContact O-CB 3.3Å; Q371-L374 PolarHBondContact O-N 3.09Å
372	Q	87.4	Confident	91.4	Very high	160 Å²	160	56.4 Å²	56.4	75%	0.748	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-29.1	179.3	-59.9	179.1	45.6	0	0	112.4	R370 L374	R370-Q372 PolarHBondContact O-N 3.26Å; Q372-L374 VanDerWaalsContact C-N 3.31Å
373	D	88.2	Confident	91.4	Very high	53 Å²	53	56.4 Å²	56.4	28%	0.283	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-8.9	176.4	-66.1	-30.1	0	0	0	112.9	T335 R370 Q371 G375 V376 L377	T335-D373 WeakPolarHBondContact CB-OD2 3.46Å; T335-D373 HydrophobicContact CG2-CB 3.89Å; T335-D373 WeakPolarHBondContact CG2-OD2 3.34Å; T335-D373 PolarHBondContact OG1-OD2 3.07Å; R370-D373 PolarHBondContact O-N 3.12Å; Q371-D373 VanDerWaalsContact C-N 3.33Å; Q371-D373 PolarHBondContact O-N 3.32Å; D373-G375 PolarHBondContact O-N 3.25Å; D373-V376 WeakPolarHBondContact O-CB 3.28Å; D373-V376 PolarHBondContact O-N 2.69Å; D373-V376 VanDerWaalsContact O-N 3.11Å; D373-L377 HydrophobicContact CB-CD1 3.69Å; D373-L377 HydrophobicContact CB-CG 4.2Å; D373-L377 WeakPolarHBondContact O-CG 3.37Å; D373-L377 PolarHBondContact O-N 2.72Å
374	L	90.1	Very high	91.4	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.01	27%	0.272	C	S	.	.	H	α-helix	trans	-59.7	-48	-164.7	-177.8	59.3	0	0	0	113.5	L359 M360 V363 Q371 Q372 V376 L377 L378 M399 F400	L359-L374 HydrophobicContact CD2-CD1 4.49Å; M360-L374 HydrophobicContact SD-CD1 4.32Å; V363-L374 HydrophobicContact CG2-CD1 4.26Å; Q371-L374 WeakPolarHBondContact O-CB 3.3Å; Q371-L374 PolarHBondContact O-N 3.09Å; Q372-L374 VanDerWaalsContact C-N 3.31Å; L374-V376 VanDerWaalsContact C-N 3.26Å; L374-V376 PolarHBondContact O-N 2.96Å; L374-L377 PolarHBondContact O-N 2.75Å; L374-L378 HydrophobicContact CD1-CD1 4.27Å; L374-L378 HydrophobicContact CD1-CD2 4.49Å; L374-L378 HydrophobicContact CD1-CG 4.12Å; L374-L378 HydrophobicContact CG-CD1 4.11Å; L374-L378 HydrophobicContact CG-CG 4.42Å; L374-L378 VanDerWaalsContact O-CG 3.3Å; L374-L378 WeakPolarHBondContact O-CG 3.46Å; L374-L378 PolarHBondContact O-N 2.76Å; L374-M399 HydrophobicContact CD2-CB 4.44Å; L374-F400 HydrophobicContact CD1-CE1 4.18Å; L374-F400 HydrophobicContact CD2-CD1 3.98Å; L374-F400 HydrophobicContact CD2-CE1 3.78Å; L374-F400 HydrophobicContact CD2-CZ 4.45Å; L374-F400 HydrophobicContact CG-CE1 4.22Å
375	G	89.3	Confident	91.4	Very high	4 Å²	4	52.7 Å²	52.7	4%	0.041	26%	0.262	C	S	.	.	H	α-helix	trans	-60.1	-34.2	177.8	0	0	0	0	0	113.5	D373 D403 L409	D373-G375 PolarHBondContact O-N 3.25Å; G375-D403 WeakPolarHBondContact CA-OD2 3.39Å; G375-D403 PolarHBondContact N-OD2 3.39Å; G375-L409 WeakPolarHBondContact O-CD1 3.48Å
376	V	91.5	Very high	91.4	Very high	88 Å²	88	48 Å²	48	53%	0.533	24%	0.242	S	C	.	.	H	α-helix	trans	-72.1	-43.6	175.1	-179.8	0	0	0	0	110.7	D373 L374 L378 A379 Y380	D373-V376 WeakPolarHBondContact O-CB 3.28Å; D373-V376 PolarHBondContact O-N 2.69Å; D373-V376 VanDerWaalsContact O-N 3.11Å; L374-V376 VanDerWaalsContact C-N 3.26Å; L374-V376 PolarHBondContact O-N 2.96Å; V376-L378 PolarHBondContact O-N 3.01Å; V376-A379 WeakPolarHBondContact O-CB 3.4Å; V376-A379 PolarHBondContact O-N 2.82Å; V376-Y380 HydrophobicContact CG1-CE2 4.25Å; V376-Y380 VanDerWaalsContact O-CD2 3.26Å; V376-Y380 WeakPolarHBondContact O-CD2 3.39Å; V376-Y380 WeakPolarHBondContact O-CE2 3.29Å
377	L	93.5	Very high	91.5	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-66.1	-37.1	-179.6	-68.4	167.2	0	0	0	112.5	T335 I338 V339 L342 L359 W362 D373 L374 A379 Y380	T335-L377 HydrophobicContact CG2-CD1 4.34Å; T335-L377 HydrophobicContact CG2-CD2 4.12Å; T335-L377 HydrophobicContact CG2-CG 4.48Å; I338-L377 HydrophobicContact CB-CD2 4.44Å; I338-L377 HydrophobicContact CG2-CD2 3.83Å; V339-L377 HydrophobicContact CG2-CD2 3.71Å; L342-L377 HydrophobicContact CD1-CD2 4.24Å; L359-L377 HydrophobicContact CD1-CB 3.86Å; L359-L377 HydrophobicContact CD1-CD1 3.83Å; L359-L377 HydrophobicContact CD1-CG 4.3Å; L359-L377 HydrophobicContact CD2-CB 3.92Å; W362-L377 HydrophobicContact CE3-CD1 4.26Å; W362-L377 HydrophobicContact CH2-CD1 4.32Å; W362-L377 HydrophobicContact CZ3-CD1 3.55Å; D373-L377 HydrophobicContact CB-CD1 3.69Å; D373-L377 HydrophobicContact CB-CG 4.2Å; D373-L377 WeakPolarHBondContact O-CG 3.37Å; D373-L377 PolarHBondContact O-N 2.72Å; L374-L377 PolarHBondContact O-N 2.75Å; L377-A379 VanDerWaalsContact C-N 3.25Å; L377-A379 PolarHBondContact O-N 3.21Å; L377-Y380 PolarHBondContact O-N 2.7Å
378	L	93	Very high	91.6	Very high	3 Å²	3	48.9 Å²	48.9	2%	0.016	25%	0.252	C	S	.	.	H	α-helix	trans	-65	-25.3	174.5	-69.8	171.9	0	0	0	113.5	F356 L359 L374 V376 Y380 I381 L383 F400 C406 L409	F356-L378 HydrophobicContact CD2-CD2 4.17Å; F356-L378 HydrophobicContact CE2-CD2 3.88Å; L359-L378 HydrophobicContact CD2-CD2 4.08Å; L374-L378 HydrophobicContact CD1-CD1 4.27Å; L374-L378 HydrophobicContact CD1-CD2 4.49Å; L374-L378 HydrophobicContact CD1-CG 4.12Å; L374-L378 HydrophobicContact CG-CD1 4.11Å; L374-L378 HydrophobicContact CG-CG 4.42Å; L374-L378 VanDerWaalsContact O-CG 3.3Å; L374-L378 WeakPolarHBondContact O-CG 3.46Å; L374-L378 PolarHBondContact O-N 2.76Å; V376-L378 PolarHBondContact O-N 3.01Å; L378-Y380 PolarHBondContact O-N 3.44Å; L378-I381 HydrophobicContact CD2-CD1 4.49Å; L378-I381 PolarHBondContact O-N 2.77Å; L378-L383 HydrophobicContact CD2-CD2 4.4Å; L378-F400 HydrophobicContact CD1-CD1 3.78Å; L378-F400 HydrophobicContact CD1-CE1 3.84Å; L378-F400 HydrophobicContact CD2-CE1 4.33Å; L378-C406 HydrophobicContact CD1-CB 4.24Å; L378-C406 WeakPolarHBondContact CD1-SG 3.48Å; L378-L409 HydrophobicContact CB-CD1 3.87Å
379	A	93.2	Very high	91.8	Very high	43 Å²	43	47.9 Å²	47.9	36%	0.355	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-17.3	177.1	0	0	0	0	0	113.2	V376 L377 L409 R430	V376-A379 WeakPolarHBondContact O-CB 3.4Å; V376-A379 PolarHBondContact O-N 2.82Å; L377-A379 VanDerWaalsContact C-N 3.25Å; L377-A379 PolarHBondContact O-N 3.21Å; A379-L409 HydrophobicContact CB-CD1 4.29Å; A379-R430 VanDerWaalsContact O-CD 3.26Å; A379-R430 WeakPolarHBondContact O-CD 3.49Å
380	Y	94.5	Very high	92	Very high	88 Å²	88	42.9 Å²	42.9	35%	0.345	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-2.7	173	-60.4	-82	0	0	0	113.7	V339 V376 L377 L378 R434	V339-Y380 HydrophobicContact CG1-CD2 4.49Å; V339-Y380 HydrophobicContact CG1-CE1 4.15Å; V339-Y380 HydrophobicContact CG1-CE2 3.82Å; V339-Y380 HydrophobicContact CG2-CE2 4.16Å; V376-Y380 HydrophobicContact CG1-CE2 4.25Å; V376-Y380 VanDerWaalsContact O-CD2 3.26Å; V376-Y380 WeakPolarHBondContact O-CD2 3.39Å; V376-Y380 WeakPolarHBondContact O-CE2 3.29Å; L377-Y380 PolarHBondContact O-N 2.7Å; L378-Y380 PolarHBondContact O-N 3.44Å; Y380-R434 PolarHBondContact O-NH2 2.68Å
381	I	94.9	Very high	92	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.22	C	C	.	.	S	Bend	trans	-99.4	135.4	175.7	-59.2	-168	0	0	0	109.7	E352 I355 F356 L359 L378 L383 R430	E352-I381 HydrophobicContact CG-CG2 3.89Å; E352-I381 WeakPolarHBondContact OE1-CA 3.26Å; E352-I381 WeakPolarHBondContact OE1-CG2 3.41Å; I355-I381 HydrophobicContact CG2-CD1 4.4Å; I355-I381 HydrophobicContact CG2-CG1 4.42Å; F356-I381 HydrophobicContact CB-CD1 4.24Å; F356-I381 HydrophobicContact CB-CG2 4.46Å; F356-I381 HydrophobicContact CD2-CD1 4.12Å; L359-I381 HydrophobicContact CB-CD1 4.03Å; L359-I381 HydrophobicContact CD2-CD1 3.5Å; L359-I381 HydrophobicContact CD2-CG1 4.43Å; L359-I381 HydrophobicContact CG-CD1 4.4Å; L378-I381 HydrophobicContact CD2-CD1 4.49Å; L378-I381 PolarHBondContact O-N 2.77Å; I381-L383 HydrophobicContact CB-CD2 4.16Å; I381-L383 HydrophobicContact CG2-CD2 3.72Å; I381-L383 HydrophobicContact CG2-CG 4.41Å; I381-L383 PolarHBondContact O-N 2.96Å; I381-R430 WeakPolarHBondContact O-CD 3.49Å; I381-R430 WeakPolarHBondContact O-CG 3.34Å
382	R	94.5	Very high	92.1	Very high	13 Å²	13	39.9 Å²	39.9	5%	0.049	22%	0.218	C	C	.	.			trans	-77.8	60	178.2	-64.4	130.8	144.4	107.7	0	111.5	D345 E352 P384 L385 R430 K432 P433	D345-R382 IonicContact OD1-CZ 3.73Å; D345-R382 IonicContact OD1-NH1 3.14Å; D345-R382 PolarHBondContact OD1-NH1 3.43Å; D345-R382 IonicContact OD1-NH2 3.28Å; D345-R382 PolarHBondContact OD1-NH2 3.22Å; D345-R382 IonicContact OD2-NH2 2.73Å; D345-R382 PolarHBondContact OD2-NH2 2.7Å; D345-R382 VanDerWaalsContact OD2-NH2 3.12Å; E352-R382 HydrophobicContact CG-CB 3.86Å; E352-R382 PolarHBondContact OE1-N 3.21Å; E352-R382 VanDerWaalsContact OE2-CD 3.28Å; E352-R382 WeakPolarHBondContact OE2-CD 3.48Å; R382-P384 VanDerWaalsContact C-N 3.26Å; R382-P384 VanDerWaalsContact O-N 3.13Å; R382-L385 HydrophobicContact CB-CB 4.36Å; R382-L385 HydrophobicContact CB-CD1 3.84Å; R382-L385 HydrophobicContact CB-CG 4.12Å; R382-L385 HydrophobicContact CG-CD1 4.35Å; R382-L385 WeakPolarHBondContact O-CB 3.43Å; R382-L385 PolarHBondContact O-N 3.28Å; R382-R430 WeakPolarHBondContact CA-O 3.33Å; R382-R430 VanDerWaalsContact CB-O 3.3Å; R382-R430 WeakPolarHBondContact CB-O 3.4Å; R382-K432 PolarHBondContact NE-O 2.91Å; R382-K432 PolarHBondContact NH2-O 2.97Å; R382-P433 PolarHBondContact NH2-O 3.07Å; R382-P433 VanDerWaalsContact NH2-O 3.07Å
383	L	94.3	Very high	92.2	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-47.7	-38	179	-55.2	179.1	0	0	0	114.3	L378 I381 L385 L386 L391 L409 L410 A413	L378-L383 HydrophobicContact CD2-CD2 4.4Å; I381-L383 HydrophobicContact CB-CD2 4.16Å; I381-L383 HydrophobicContact CG2-CD2 3.72Å; I381-L383 HydrophobicContact CG2-CG 4.41Å; I381-L383 PolarHBondContact O-N 2.96Å; L383-L385 PolarHBondContact O-N 3.4Å; L383-L386 HydrophobicContact CD2-CD1 3.57Å; L383-L386 WeakPolarHBondContact O-CB 3.2Å; L383-L386 PolarHBondContact O-N 3.47Å; L383-L386 VanDerWaalsContact O-N 3.1Å; L383-L391 HydrophobicContact CB-CD2 4.36Å; L383-L409 HydrophobicContact CD1-CB 3.77Å; L383-L410 HydrophobicContact CD1-CD2 4.49Å; L383-A413 HydrophobicContact CB-CB 3.8Å
384	P	93.6	Very high	92.2	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.006	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-62.9	-5	174.1	-23	35.1	0	0	0	116	R382 A413 Y416 R430 T431	R382-P384 VanDerWaalsContact C-N 3.26Å; R382-P384 VanDerWaalsContact O-N 3.13Å; P384-A413 HydrophobicContact CG-CB 4.28Å; P384-Y416 HydrophobicContact CB-CD1 3.64Å; P384-Y416 HydrophobicContact CB-CD2 4.43Å; P384-Y416 HydrophobicContact CB-CE1 4.17Å; P384-Y416 HydrophobicContact CB-CG 3.79Å; P384-Y416 WeakPolarHBondContact O-CD1 3.41Å; P384-Y416 WeakPolarHBondContact O-CE1 3.45Å; P384-R430 HydrophobicContact CG-CB 4.42Å; P384-T431 HydrophobicContact CB-CG2 4.03Å; P384-T431 HydrophobicContact CG-CG2 4.14Å
385	L	92.1	Very high	92	Very high	60 Å²	60	40 Å²	40	31%	0.314	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-111.5	-0.4	177.7	-52.9	-178.6	0	0	0	113	R382 L383 Y416 P433	R382-L385 HydrophobicContact CB-CB 4.36Å; R382-L385 HydrophobicContact CB-CD1 3.84Å; R382-L385 HydrophobicContact CB-CG 4.12Å; R382-L385 HydrophobicContact CG-CD1 4.35Å; R382-L385 WeakPolarHBondContact O-CB 3.43Å; R382-L385 PolarHBondContact O-N 3.28Å; L383-L385 PolarHBondContact O-N 3.4Å; L385-Y416 HydrophobicContact CD2-CE1 4.38Å; L385-P433 HydrophobicContact CD1-CB 3.9Å; L385-P433 HydrophobicContact CD1-CG 3.89Å
386	L	94	Very high	91.8	Very high	4 Å²	4	46.2 Å²	46.2	2%	0.021	25%	0.253	C	S	.	.	S	Bend	trans	-75.1	162.7	175.4	-68.6	179.3	0	0	0	112.1	E352 E353 L383 L390 L391 H417	E352-L386 HydrophobicContact CB-CD2 3.97Å; E352-L386 HydrophobicContact CG-CD2 4.09Å; E353-L386 HydrophobicContact CB-CD2 4.04Å; L383-L386 HydrophobicContact CD2-CD1 3.57Å; L383-L386 WeakPolarHBondContact O-CB 3.2Å; L383-L386 PolarHBondContact O-N 3.47Å; L383-L386 VanDerWaalsContact O-N 3.1Å; L386-L390 HydrophobicContact CB-CD2 4.48Å; L386-L390 HydrophobicContact CD1-CD2 4.09Å; L386-L390 HydrophobicContact CD2-CD2 4.17Å; L386-L390 HydrophobicContact CG-CD2 4.49Å; L386-L391 HydrophobicContact CB-CD2 4.26Å; L386-L391 HydrophobicContact CB-CG 4.28Å; L386-L391 HydrophobicContact CD1-CD2 4.18Å; L386-H417 PolarHBondContact O-CE1 2.95Å; L386-H417 VanDerWaalsContact O-CE1 3.26Å; L386-H417 PolarHBondContact O-NE2 3.18Å
387	P	92.8	Very high	91.6	Very high	44 Å²	44	44.5 Å²	44.5	29%	0.286	24%	0.24	S	C	.	.			trans	-61.4	137.1	171.2	-23.9	35.6	0	0	0	112.2	Q389 L390 L391	P387-Q389 PolarHBondContact O-N 3.48Å; P387-L390 HydrophobicContact CB-CB 4.41Å; P387-L390 PolarHBondContact O-N 3.37Å; P387-L390 VanDerWaalsContact O-N 3.12Å; P387-L391 PolarHBondContact O-N 2.86Å
388	P	91.9	Very high	91.1	Very high	74 Å²	74	52.2 Å²	52.2	48%	0.481	27%	0.274	S	S	.	.	H	α-helix	trans	-59.5	-27.6	177	-27.1	35.6	0	0	0	114.8	A392	P388-A392 PolarHBondContact O-N 2.98Å
389	Q	91.3	Very high	90.7	Very high	140 Å²	140	54.5 Å²	54.5	65%	0.654	29%	0.285	S	S	*	.	H	α-helix	trans	-63	-51.1	172.8	-66.3	97	-18.6	0	0	111.1	P387 L391 A392 D393	P387-Q389 PolarHBondContact O-N 3.48Å; Q389-L391 VanDerWaalsContact C-N 3.32Å; Q389-L391 PolarHBondContact O-N 2.95Å; Q389-A392 WeakPolarHBondContact O-CB 3.42Å; Q389-A392 PolarHBondContact O-N 2.84Å; Q389-A392 VanDerWaalsContact O-N 3.08Å; Q389-D393 PolarHBondContact O-N 3.13Å
390	L	92.1	Very high	90.3	Very high	20 Å²	20	52.6 Å²	52.6	11%	0.105	27%	0.269	C	S	.	.	H	α-helix	trans	-57.8	-44.5	179.6	179.3	62	0	0	0	111.1	E353 F356 L386 P387 A392 D393 L394	E353-L390 HydrophobicContact CB-CD2 4.33Å; E353-L390 HydrophobicContact CG-CD2 3.81Å; F356-L390 HydrophobicContact CD1-CD2 4.15Å; F356-L390 HydrophobicContact CE1-CD1 4.34Å; L386-L390 HydrophobicContact CB-CD2 4.48Å; L386-L390 HydrophobicContact CD1-CD2 4.09Å; L386-L390 HydrophobicContact CD2-CD2 4.17Å; L386-L390 HydrophobicContact CG-CD2 4.49Å; P387-L390 HydrophobicContact CB-CB 4.41Å; P387-L390 PolarHBondContact O-N 3.37Å; P387-L390 VanDerWaalsContact O-N 3.12Å; L390-A392 VanDerWaalsContact C-N 3.28Å; L390-A392 PolarHBondContact O-N 3.49Å; L390-D393 PolarHBondContact O-N 3.41Å; L390-D393 VanDerWaalsContact O-N 3.12Å; L390-L394 HydrophobicContact CD1-CD2 4.41Å; L390-L394 HydrophobicContact CD1-CG 4.31Å; L390-L394 HydrophobicContact CG-CD1 4.36Å; L390-L394 HydrophobicContact CG-CG 4.45Å; L390-L394 VanDerWaalsContact O-CG 3.29Å; L390-L394 WeakPolarHBondContact O-CG 3.5Å; L390-L394 PolarHBondContact O-N 2.97Å
391	L	92.3	Very high	89.6	Confident	2 Å²	2	50.5 Å²	50.5	1%	0.01	27%	0.267	C	S	.	.	H	α-helix	trans	-58.4	-38.1	177.3	-68	175.4	0	0	0	113	L383 L386 P387 Q389 L394 E395 L410 A413 H417	L383-L391 HydrophobicContact CB-CD2 4.36Å; L386-L391 HydrophobicContact CB-CD2 4.26Å; L386-L391 HydrophobicContact CB-CG 4.28Å; L386-L391 HydrophobicContact CD1-CD2 4.18Å; P387-L391 PolarHBondContact O-N 2.86Å; Q389-L391 VanDerWaalsContact C-N 3.32Å; Q389-L391 PolarHBondContact O-N 2.95Å; L391-L394 PolarHBondContact O-N 2.92Å; L391-E395 PolarHBondContact O-N 2.63Å; L391-E395 VanDerWaalsContact O-N 3.16Å; L391-L410 HydrophobicContact CD2-CD2 3.99Å; L391-A413 HydrophobicContact CD1-CB 3.79Å; L391-A413 HydrophobicContact CD2-CB 3.93Å; L391-H417 VanDerWaalsContact CD1-CD2 3.45Å; L391-H417 WeakPolarHBondContact CD1-CD2 3.39Å; L391-H417 WeakPolarHBondContact CD1-NE2 3.36Å
392	A	89.4	Confident	89.1	Confident	37 Å²	37	56.5 Å²	56.5	31%	0.306	30%	0.299	S	S	.	.	H	α-helix	trans	-71.4	-37	175.3	0	0	0	0	0	112.5	P388 Q389 L390 L394 E395 N396	P388-A392 PolarHBondContact O-N 2.98Å; Q389-A392 WeakPolarHBondContact O-CB 3.42Å; Q389-A392 PolarHBondContact O-N 2.84Å; Q389-A392 VanDerWaalsContact O-N 3.08Å; L390-A392 VanDerWaalsContact C-N 3.28Å; L390-A392 PolarHBondContact O-N 3.49Å; A392-L394 VanDerWaalsContact C-N 3.28Å; A392-L394 PolarHBondContact O-N 2.83Å; A392-E395 PolarHBondContact O-N 3.16Å; A392-N396 PolarHBondContact O-N 3.32Å; A392-N396 PolarHBondContact O-ND2 3.44Å
393	D	89.8	Confident	88.8	Confident	108 Å²	108	58.4 Å²	58.4	58%	0.578	31%	0.31	S	S	*	.	H	α-helix	trans	-65.9	-31.2	174.6	-67.9	-31.1	0	0	0	112.1	Q389 L390	Q389-D393 PolarHBondContact O-N 3.13Å; L390-D393 PolarHBondContact O-N 3.41Å; L390-D393 VanDerWaalsContact O-N 3.12Å
394	L	88.5	Confident	88.6	Confident	10 Å²	10	63.6 Å²	63.6	5%	0.052	34%	0.337	C	S	.	.	H	α-helix	trans	-73.2	-40.7	174.7	-63.2	-178.5	0	0	0	113	F356 L390 L391 A392 N396 N397 F400 L410	F356-L394 HydrophobicContact CD2-CD1 4.47Å; F356-L394 HydrophobicContact CE1-CD1 4.16Å; F356-L394 HydrophobicContact CE1-CD2 3.8Å; F356-L394 HydrophobicContact CE2-CD1 3.76Å; F356-L394 HydrophobicContact CE2-CD2 4.26Å; F356-L394 HydrophobicContact CZ-CD1 3.6Å; F356-L394 HydrophobicContact CZ-CD2 3.35Å; F356-L394 HydrophobicContact CZ-CG 4.11Å; L390-L394 HydrophobicContact CD1-CD2 4.41Å; L390-L394 HydrophobicContact CD1-CG 4.31Å; L390-L394 HydrophobicContact CG-CD1 4.36Å; L390-L394 HydrophobicContact CG-CG 4.45Å; L390-L394 VanDerWaalsContact O-CG 3.29Å; L390-L394 WeakPolarHBondContact O-CG 3.5Å; L390-L394 PolarHBondContact O-N 2.97Å; L391-L394 PolarHBondContact O-N 2.92Å; A392-L394 VanDerWaalsContact C-N 3.28Å; A392-L394 PolarHBondContact O-N 2.83Å; L394-N396 PolarHBondContact O-N 3.45Å; L394-N397 PolarHBondContact O-N 2.91Å; L394-N397 VanDerWaalsContact O-N 3.07Å; L394-F400 HydrophobicContact CB-CD2 4.4Å; L394-F400 HydrophobicContact CD2-CD2 4.28Å; L394-F400 HydrophobicContact CD2-CE2 3.62Å; L394-F400 HydrophobicContact CD2-CZ 3.89Å; L394-L410 HydrophobicContact CB-CD1 4.24Å; L394-L410 HydrophobicContact CB-CD2 3.96Å; L394-L410 HydrophobicContact CD1-CD2 4.13Å
395	E	86.4	Confident	88.5	Confident	101 Å²	101	67.4 Å²	67.4	47%	0.472	36%	0.355	S	S	.	.	H	α-helix	trans	-58	-35.4	175.2	-175.3	179.9	-141	0	0	112.1	L391 A392 N397 M414	L391-E395 PolarHBondContact O-N 2.63Å; L391-E395 VanDerWaalsContact O-N 3.16Å; A392-E395 PolarHBondContact O-N 3.16Å; E395-N397 VanDerWaalsContact C-N 3.32Å; E395-N397 PolarHBondContact O-N 2.86Å; E395-M414 WeakPolarHBondContact OE2-CE 3.37Å
396	N	84.3	Confident	88.5	Confident	134 Å²	134	64.6 Å²	64.6	72%	0.717	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-4.7	178.8	-74.8	-84.7	0	0	0	114.2	A392 L394	A392-N396 PolarHBondContact O-N 3.32Å; A392-N396 PolarHBondContact O-ND2 3.44Å; L394-N396 PolarHBondContact O-N 3.45Å
397	N	86.9	Confident	88.3	Confident	52 Å²	52	68.2 Å²	68.2	28%	0.278	36%	0.357	S	S	.	.	S	Bend	trans	-98.9	125.5	-174.8	177.4	-6.8	0	0	0	112	L394 E395 M399 F400 S401	L394-N397 PolarHBondContact O-N 2.91Å; L394-N397 VanDerWaalsContact O-N 3.07Å; E395-N397 VanDerWaalsContact C-N 3.32Å; E395-N397 PolarHBondContact O-N 2.86Å; N397-M399 PolarHBondContact O-N 3.42Å; N397-M399 PolarHBondContact OD1-N 3.4Å; N397-M399 VanDerWaalsContact OD1-N 3.11Å; N397-F400 HydrophobicContact CB-CD2 3.9Å; N397-F400 HydrophobicContact CB-CE2 4.24Å; N397-F400 PolarHBondContact O-N 3.01Å; N397-S401 PolarHBondContact O-N 3.05Å; N397-S401 VanDerWaalsContact O-N 3.17Å
398	K	84.1	Confident	88.3	Confident	161 Å²	161	70.5 Å²	70.5	70%	0.7	36%	0.363	S	S	*	.	H	α-helix	trans	-55.3	-26.1	-176.4	-64.5	-168.1	176.6	-170	0	115.6	F400 S401	K398-F400 PolarHBondContact O-N 2.91Å; K398-S401 WeakPolarHBondContact CA-OG 3.27Å; K398-S401 PolarHBondContact O-OG 3.28Å
399	M	83.3	Confident	88.4	Confident	52 Å²	52	67.3 Å²	67.3	26%	0.256	34%	0.342	S	S	.	.	H	α-helix	trans	-61.8	-25.9	175.3	-67.7	178.4	173.6	0	0	112.9	M360 L374 N397	M360-M399 HydrophobicContact CE-SD 4.05Å; L374-M399 HydrophobicContact CD2-CB 4.44Å; N397-M399 PolarHBondContact O-N 3.42Å; N397-M399 PolarHBondContact OD1-N 3.4Å; N397-M399 VanDerWaalsContact OD1-N 3.11Å
400	F	86.2	Confident	88.5	Confident	2 Å²	2	61.1 Å²	61.1	1%	0.009	31%	0.313	C	S	.	.	H	α-helix	trans	-111.6	-24.6	-177	-49.7	-84.6	0	0	0	113	F356 M360 L374 L378 L394 N397 K398 D402 C406 L410	F356-F400 HydrophobicContact CE2-CE1 4.47Å; F356-F400 HydrophobicContact CE2-CZ 4.31Å; F356-F400 AromaticContact CZ-CZ 3.99Å; F356-F400 HydrophobicContact CZ-CZ 3.99Å; M360-F400 HydrophobicContact CE-CE2 4.49Å; M360-F400 HydrophobicContact CE-CZ 3.87Å; M360-F400 HydrophobicContact SD-CE1 4.34Å; M360-F400 HydrophobicContact SD-CZ 3.77Å; L374-F400 HydrophobicContact CD1-CE1 4.18Å; L374-F400 HydrophobicContact CD2-CD1 3.98Å; L374-F400 HydrophobicContact CD2-CE1 3.78Å; L374-F400 HydrophobicContact CD2-CZ 4.45Å; L374-F400 HydrophobicContact CG-CE1 4.22Å; L378-F400 HydrophobicContact CD1-CD1 3.78Å; L378-F400 HydrophobicContact CD1-CE1 3.84Å; L378-F400 HydrophobicContact CD2-CE1 4.33Å; L394-F400 HydrophobicContact CB-CD2 4.4Å; L394-F400 HydrophobicContact CD2-CD2 4.28Å; L394-F400 HydrophobicContact CD2-CE2 3.62Å; L394-F400 HydrophobicContact CD2-CZ 3.89Å; N397-F400 HydrophobicContact CB-CD2 3.9Å; N397-F400 HydrophobicContact CB-CE2 4.24Å; N397-F400 PolarHBondContact O-N 3.01Å; K398-F400 PolarHBondContact O-N 2.91Å; F400-D402 PolarHBondContact O-N 3Å; F400-C406 HydrophobicContact CB-CB 4.07Å; F400-C406 HydrophobicContact CD1-CB 4.33Å; F400-C406 WeakPolarHBondContact O-CB 3.43Å; F400-L410 HydrophobicContact CB-CD1 4.09Å
401	S	79.7	Confident	88.5	Confident	44 Å²	44	65.2 Å²	65.2	31%	0.308	33%	0.333	S	S	.	.	H	α-helix	trans	-66.5	-27	177.3	64.8	0	0	0	0	113.4	N397 K398 Q407	N397-S401 PolarHBondContact O-N 3.05Å; N397-S401 VanDerWaalsContact O-N 3.17Å; K398-S401 WeakPolarHBondContact CA-OG 3.27Å; K398-S401 PolarHBondContact O-OG 3.28Å; S401-Q407 PolarHBondContact O-NE2 3Å
402	D	83.9	Confident	88.5	Confident	127 Å²	127	68 Å²	68	68%	0.679	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-10	-170.7	-62.3	5.4	0	0	0	112.2	F400	F400-D402 PolarHBondContact O-N 3Å
403	D	87.7	Confident	88.7	Confident	52 Å²	52	66.2 Å²	66.2	28%	0.278	33%	0.331	S	S	.	.			trans	-108	120.7	174.8	175.3	11.8	0	0	0	111.6	G375 E405 C406 Q407	G375-D403 WeakPolarHBondContact CA-OD2 3.39Å; G375-D403 PolarHBondContact N-OD2 3.39Å; D403-E405 VanDerWaalsContact C-N 3.29Å; D403-E405 PolarHBondContact O-N 2.64Å; D403-E405 PolarHBondContact OD1-N 2.9Å; D403-C406 HydrophobicContact CB-CB 3.98Å; D403-C406 WeakPolarHBondContact O-CB 3.2Å; D403-C406 PolarHBondContact O-N 3.45Å; D403-C406 PolarHBondContact OD2-SG 3.1Å; D403-Q407 WeakPolarHBondContact O-CG 3.48Å; D403-Q407 PolarHBondContact O-N 3.22Å; D403-Q407 VanDerWaalsContact O-N 3.09Å
404	L	89.8	Confident	88.8	Confident	110 Å²	110	63.3 Å²	63.3	58%	0.576	32%	0.315	S	S	*	.	H	α-helix	trans	-64	-28.5	179.2	-178	62.2	0	0	0	113.3	K408	L404-K408 WeakPolarHBondContact O-CG 3.01Å; L404-K408 PolarHBondContact O-N 2.65Å
405	E	91.8	Very high	89	Confident	82 Å²	82	67.8 Å²	67.8	38%	0.383	33%	0.334	S	S	.	.	H	α-helix	trans	-77.2	-42.3	177.6	-153.5	62.3	-137.2	0	0	111.1	D403 Q407 K408 L409	D403-E405 VanDerWaalsContact C-N 3.29Å; D403-E405 PolarHBondContact O-N 2.64Å; D403-E405 PolarHBondContact OD1-N 2.9Å; E405-Q407 VanDerWaalsContact C-N 3.29Å; E405-Q407 PolarHBondContact O-N 2.93Å; E405-K408 PolarHBondContact O-N 2.81Å; E405-K408 WeakPolarHBondContact OE1-CD 3.31Å; E405-K408 IonicContact OE1-NZ 2.92Å; E405-K408 IonicContact OE2-NZ 3.65Å; E405-K408 PolarHBondContact OE2-NZ 3.42Å; E405-L409 VanDerWaalsContact O-CG 3.32Å; E405-L409 WeakPolarHBondContact O-CG 3.43Å; E405-L409 PolarHBondContact O-N 3.39Å; E405-L409 VanDerWaalsContact O-N 3.08Å
406	C	91.8	Very high	89.2	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-50.8	-48.6	167.9	-72	0	0	0	0	111.6	L378 F400 D403 K408 L409 L410	L378-C406 HydrophobicContact CD1-CB 4.24Å; L378-C406 WeakPolarHBondContact CD1-SG 3.48Å; F400-C406 HydrophobicContact CB-CB 4.07Å; F400-C406 HydrophobicContact CD1-CB 4.33Å; F400-C406 WeakPolarHBondContact O-CB 3.43Å; D403-C406 HydrophobicContact CB-CB 3.98Å; D403-C406 WeakPolarHBondContact O-CB 3.2Å; D403-C406 PolarHBondContact O-N 3.45Å; D403-C406 PolarHBondContact OD2-SG 3.1Å; C406-K408 PolarHBondContact O-N 3.44Å; C406-L409 PolarHBondContact O-N 2.72Å; C406-L410 WeakPolarHBondContact O-CG 3.42Å; C406-L410 PolarHBondContact O-N 2.89Å
407	Q	91.3	Very high	89.5	Confident	80 Å²	80	60.1 Å²	60.1	37%	0.374	29%	0.292	S	S	.	.	H	α-helix	trans	-58.7	-45.1	177.7	-70.7	-177.3	9.1	0	0	113.3	S401 D403 E405 L409 L410 M411	S401-Q407 PolarHBondContact O-NE2 3Å; D403-Q407 WeakPolarHBondContact O-CG 3.48Å; D403-Q407 PolarHBondContact O-N 3.22Å; D403-Q407 VanDerWaalsContact O-N 3.09Å; E405-Q407 VanDerWaalsContact C-N 3.29Å; E405-Q407 PolarHBondContact O-N 2.93Å; Q407-L409 PolarHBondContact O-N 3.31Å; Q407-L410 PolarHBondContact O-N 3.31Å; Q407-M411 HydrophobicContact CB-CE 4.49Å; Q407-M411 WeakPolarHBondContact O-CB 3.29Å; Q407-M411 WeakPolarHBondContact O-CG 3.4Å; Q407-M411 PolarHBondContact O-N 3.47Å
408	K	93.1	Very high	89.6	Confident	93 Å²	93	64.1 Å²	64.1	40%	0.404	31%	0.313	S	S	.	.	H	α-helix	trans	-60.4	-46.5	178.3	-70.5	165.6	-167.8	165.2	0	111.6	L404 E405 C406 M411 E412	L404-K408 WeakPolarHBondContact O-CG 3.01Å; L404-K408 PolarHBondContact O-N 2.65Å; E405-K408 PolarHBondContact O-N 2.81Å; E405-K408 WeakPolarHBondContact OE1-CD 3.31Å; E405-K408 IonicContact OE1-NZ 2.92Å; E405-K408 IonicContact OE2-NZ 3.65Å; E405-K408 PolarHBondContact OE2-NZ 3.42Å; C406-K408 PolarHBondContact O-N 3.44Å; K408-M411 PolarHBondContact O-N 2.94Å; K408-E412 PolarHBondContact O-N 3.12Å
409	L	93.9	Very high	89.9	Confident	7 Å²	7	59.2 Å²	59.2	4%	0.037	29%	0.294	C	S	.	.	H	α-helix	trans	-64.9	-39.6	-177.3	-68	171.3	0	0	0	111.5	G375 L378 A379 L383 E405 C406 Q407 A413 R430	G375-L409 WeakPolarHBondContact O-CD1 3.48Å; L378-L409 HydrophobicContact CB-CD1 3.87Å; A379-L409 HydrophobicContact CB-CD1 4.29Å; L383-L409 HydrophobicContact CD1-CB 3.77Å; E405-L409 VanDerWaalsContact O-CG 3.32Å; E405-L409 WeakPolarHBondContact O-CG 3.43Å; E405-L409 PolarHBondContact O-N 3.39Å; E405-L409 VanDerWaalsContact O-N 3.08Å; C406-L409 PolarHBondContact O-N 2.72Å; Q407-L409 PolarHBondContact O-N 3.31Å; L409-A413 PolarHBondContact O-N 3.3Å; L409-R430 VanDerWaalsContact CD2-CZ 3.43Å
410	L	93.4	Very high	89.8	Confident	9 Å²	9	60 Å²	60	5%	0.047	30%	0.303	C	S	.	.	H	α-helix	trans	-66.8	-47	172.8	-70.5	172.4	0	0	0	112.1	L383 L391 L394 F400 C406 Q407 E412 A413 M414	L383-L410 HydrophobicContact CD1-CD2 4.49Å; L391-L410 HydrophobicContact CD2-CD2 3.99Å; L394-L410 HydrophobicContact CB-CD1 4.24Å; L394-L410 HydrophobicContact CB-CD2 3.96Å; L394-L410 HydrophobicContact CD1-CD2 4.13Å; F400-L410 HydrophobicContact CB-CD1 4.09Å; C406-L410 WeakPolarHBondContact O-CG 3.42Å; C406-L410 PolarHBondContact O-N 2.89Å; Q407-L410 PolarHBondContact O-N 3.31Å; L410-E412 VanDerWaalsContact C-N 3.28Å; L410-E412 PolarHBondContact O-N 2.99Å; L410-A413 WeakPolarHBondContact O-CB 3.35Å; L410-A413 PolarHBondContact O-N 3.3Å; L410-A413 VanDerWaalsContact O-N 3.13Å; L410-M414 WeakPolarHBondContact O-CG 3.28Å; L410-M414 PolarHBondContact O-N 3.2Å
411	M	91.3	Very high	89.4	Confident	107 Å²	107	66.2 Å²	66.2	53%	0.527	33%	0.332	S	S	.	.	H	α-helix	trans	-59.1	-37.1	176.9	-79.3	-168.7	-74.1	0	0	112.9	Q407 K408 K415	Q407-M411 HydrophobicContact CB-CE 4.49Å; Q407-M411 WeakPolarHBondContact O-CB 3.29Å; Q407-M411 WeakPolarHBondContact O-CG 3.4Å; Q407-M411 PolarHBondContact O-N 3.47Å; K408-M411 PolarHBondContact O-N 2.94Å; M411-K415 WeakPolarHBondContact O-CB 3.5Å; M411-K415 PolarHBondContact O-N 3.38Å
412	E	93.1	Very high	89.6	Confident	59 Å²	59	70.8 Å²	70.8	28%	0.276	34%	0.343	S	S	.	.	H	α-helix	trans	-63.7	-46.6	174.2	-171.1	-166.7	148	0	0	111.7	K408 L410 K415 Y416 R430	K408-E412 PolarHBondContact O-N 3.12Å; L410-E412 VanDerWaalsContact C-N 3.28Å; L410-E412 PolarHBondContact O-N 2.99Å; E412-K415 WeakPolarHBondContact O-CB 3.47Å; E412-K415 PolarHBondContact O-N 2.88Å; E412-Y416 PolarHBondContact O-N 3.26Å; E412-R430 IonicContact OE1-CZ 2.74Å; E412-R430 IonicContact OE1-NH1 3.92Å; E412-R430 PolarHBondContact OE1-NH1 3Å; E412-R430 IonicContact OE1-NH2 3.84Å; E412-R430 IonicContact OE2-CZ 3.17Å; E412-R430 VanDerWaalsContact OE2-CZ 3.23Å; E412-R430 IonicContact OE2-NH1 3.04Å; E412-R430 PolarHBondContact OE2-NH1 3.12Å; E412-R430 IonicContact OE2-NH2 2.73Å; E412-R430 PolarHBondContact OE2-NH2 3.27Å
413	A	93.3	Very high	89.6	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-60.7	-50.6	177.3	0	0	0	0	0	111.4	L383 P384 L391 L409 L410 K415 Y416 H417	L383-A413 HydrophobicContact CB-CB 3.8Å; P384-A413 HydrophobicContact CG-CB 4.28Å; L391-A413 HydrophobicContact CD1-CB 3.79Å; L391-A413 HydrophobicContact CD2-CB 3.93Å; L409-A413 PolarHBondContact O-N 3.3Å; L410-A413 WeakPolarHBondContact O-CB 3.35Å; L410-A413 PolarHBondContact O-N 3.3Å; L410-A413 VanDerWaalsContact O-N 3.13Å; A413-K415 VanDerWaalsContact C-N 3.3Å; A413-K415 PolarHBondContact O-N 3.16Å; A413-Y416 WeakPolarHBondContact O-CA 3.5Å; A413-Y416 WeakPolarHBondContact O-CB 3.43Å; A413-Y416 PolarHBondContact O-N 3.31Å; A413-H417 PolarHBondContact O-CD2 3.34Å; A413-H417 PolarHBondContact O-N 3.08Å; A413-H417 VanDerWaalsContact O-N 3.14Å
414	M	91.9	Very high	89.3	Confident	48 Å²	48	68.7 Å²	68.7	24%	0.236	33%	0.329	C	S	.	.	H	α-helix	trans	-57.2	-42.9	176.9	-65	171.9	92.9	0	0	111.7	E395 L410 Y416 H417 L418	E395-M414 WeakPolarHBondContact OE2-CE 3.37Å; L410-M414 WeakPolarHBondContact O-CG 3.28Å; L410-M414 PolarHBondContact O-N 3.2Å; M414-Y416 VanDerWaalsContact C-N 3.31Å; M414-Y416 PolarHBondContact O-N 2.64Å; M414-H417 PolarHBondContact O-N 3.22Å; M414-H417 VanDerWaalsContact O-N 3.16Å; M414-L418 WeakPolarHBondContact O-CB 3.36Å; M414-L418 VanDerWaalsContact O-CG 3.28Å; M414-L418 WeakPolarHBondContact O-CG 3.33Å; M414-L418 PolarHBondContact O-N 3.2Å
415	K	91.7	Very high	88.9	Confident	103 Å²	103	70.6 Å²	70.6	45%	0.448	34%	0.337	S	S	.	.	H	α-helix	trans	-61.4	-34.2	175.2	179.7	-178.1	174.7	-170.9	0	113.1	M411 E412 A413 L419 F426	M411-K415 WeakPolarHBondContact O-CB 3.5Å; M411-K415 PolarHBondContact O-N 3.38Å; E412-K415 WeakPolarHBondContact O-CB 3.47Å; E412-K415 PolarHBondContact O-N 2.88Å; A413-K415 VanDerWaalsContact C-N 3.3Å; A413-K415 PolarHBondContact O-N 3.16Å; K415-L419 HydrophobicContact CG-CD1 4.04Å; K415-L419 WeakPolarHBondContact O-CB 3.16Å; K415-L419 PolarHBondContact O-N 3.36Å; K415-L419 VanDerWaalsContact O-N 3.13Å; K415-F426 HydrophobicContact CD-CZ 4.48Å; K415-F426 HydrophobicContact CG-CE2 4.27Å; K415-F426 HydrophobicContact CG-CZ 4.36Å
416	Y	91.1	Very high	88.6	Confident	27 Å²	27	68.9 Å²	68.9	11%	0.106	33%	0.328	C	S	.	.	H	α-helix	trans	-71	-29.6	175	-175.7	-94.3	0	0	0	113.2	P384 L385 E412 A413 M414 R423 F426 T431	P384-Y416 HydrophobicContact CB-CD1 3.64Å; P384-Y416 HydrophobicContact CB-CD2 4.43Å; P384-Y416 HydrophobicContact CB-CE1 4.17Å; P384-Y416 HydrophobicContact CB-CG 3.79Å; P384-Y416 WeakPolarHBondContact O-CD1 3.41Å; P384-Y416 WeakPolarHBondContact O-CE1 3.45Å; L385-Y416 HydrophobicContact CD2-CE1 4.38Å; E412-Y416 PolarHBondContact O-N 3.26Å; A413-Y416 WeakPolarHBondContact O-CA 3.5Å; A413-Y416 WeakPolarHBondContact O-CB 3.43Å; A413-Y416 PolarHBondContact O-N 3.31Å; M414-Y416 VanDerWaalsContact C-N 3.31Å; M414-Y416 PolarHBondContact O-N 2.64Å; Y416-R423 HydrophobicContact CD2-CB 4.34Å; Y416-R423 HydrophobicContact CD2-CG 3.79Å; Y416-R423 HydrophobicContact CE1-CG 4.36Å; Y416-R423 HydrophobicContact CE2-CB 3.75Å; Y416-R423 HydrophobicContact CE2-CG 3.51Å; Y416-R423 HydrophobicContact CG-CG 4.31Å; Y416-R423 PolarHBondContact O-NE 3.28Å; Y416-R423 PolarHBondContact O-NH2 3.24Å; Y416-F426 HydrophobicContact CD2-CB 4.18Å; Y416-T431 HydrophobicContact CD2-CG2 3.75Å; Y416-T431 HydrophobicContact CE2-CG2 3.52Å; Y416-T431 HydrophobicContact CG-CG2 4.49Å
417	H	89.6	Confident	88.2	Confident	47 Å²	47	71.8 Å²	71.8	22%	0.218	34%	0.342	C	S	.	.	H	α-helix	trans	-76.3	-44.1	169.4	-66.4	-78.2	0	0	0	112.4	L386 L391 A413 M414 L419 P420	L386-H417 PolarHBondContact O-CE1 2.95Å; L386-H417 VanDerWaalsContact O-CE1 3.26Å; L386-H417 PolarHBondContact O-NE2 3.18Å; L391-H417 VanDerWaalsContact CD1-CD2 3.45Å; L391-H417 WeakPolarHBondContact CD1-CD2 3.39Å; L391-H417 WeakPolarHBondContact CD1-NE2 3.36Å; A413-H417 PolarHBondContact O-CD2 3.34Å; A413-H417 PolarHBondContact O-N 3.08Å; A413-H417 VanDerWaalsContact O-N 3.14Å; M414-H417 PolarHBondContact O-N 3.22Å; M414-H417 VanDerWaalsContact O-N 3.16Å; H417-L419 VanDerWaalsContact C-N 3.32Å; H417-L419 PolarHBondContact O-N 2.9Å; H417-P420 WeakPolarHBondContact O-CD 3.48Å
418	L	90.7	Very high	88	Confident	136 Å²	136	69.6 Å²	69.6	71%	0.712	34%	0.335	S	S	*	.	H	α-helix	trans	-69.9	-21.4	-176.4	-71.1	169.5	0	0	0	114.5	M414	M414-L418 WeakPolarHBondContact O-CB 3.36Å; M414-L418 VanDerWaalsContact O-CG 3.28Å; M414-L418 WeakPolarHBondContact O-CG 3.33Å; M414-L418 PolarHBondContact O-N 3.2Å
419	L	88.7	Confident	87.8	Confident	59 Å²	59	70.6 Å²	70.6	31%	0.309	35%	0.351	S	S	.	.			trans	-126.7	64	-176.7	-61	171.8	0	0	0	113.2	K415 H417 E421 R422 F426	K415-L419 HydrophobicContact CG-CD1 4.04Å; K415-L419 WeakPolarHBondContact O-CB 3.16Å; K415-L419 PolarHBondContact O-N 3.36Å; K415-L419 VanDerWaalsContact O-N 3.13Å; H417-L419 VanDerWaalsContact C-N 3.32Å; H417-L419 PolarHBondContact O-N 2.9Å; L419-E421 VanDerWaalsContact C-N 3.27Å; L419-E421 PolarHBondContact O-N 3.02Å; L419-R422 HydrophobicContact CB-CB 4.24Å; L419-R422 PolarHBondContact O-N 3.1Å; L419-F426 HydrophobicContact CB-CE2 4.06Å; L419-F426 HydrophobicContact CD1-CE2 4.11Å; L419-F426 HydrophobicContact CD1-CZ 4.14Å
420	P	81.1	Confident	87.7	Confident	68 Å²	68	72.2 Å²	72.2	44%	0.442	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-55.3	-37.9	-176.4	-26.1	35.8	0	0	0	114.2	H417 R422 R423	H417-P420 WeakPolarHBondContact O-CD 3.48Å; P420-R422 PolarHBondContact O-N 3.05Å; P420-R423 WeakPolarHBondContact O-CG 3.46Å; P420-R423 PolarHBondContact O-N 2.77Å
421	E	78.9	Confident	87.5	Confident	132 Å²	132	72.1 Å²	72.1	62%	0.617	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-63.5	-21.9	177.8	-68.5	-166.6	-124.2	0	0	114.3	L419 K656	L419-E421 VanDerWaalsContact C-N 3.27Å; L419-E421 PolarHBondContact O-N 3.02Å; E421-K656 IonicContact OE2-NZ 3.42Å; E421-K656 PolarHBondContact OE2-NZ 2.9Å
422	R	83.1	Confident	87.4	Confident	140 Å²	140	70.4 Å²	70.4	53%	0.528	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-103.2	3	-177.3	-61.6	-174.2	-174.7	172.6	1.4	113.4	L419 P420 P424 M425 F426	L419-R422 HydrophobicContact CB-CB 4.24Å; L419-R422 PolarHBondContact O-N 3.1Å; P420-R422 PolarHBondContact O-N 3.05Å; R422-P424 VanDerWaalsContact C-N 3.29Å; R422-M425 WeakPolarHBondContact O-CA 3.4Å; R422-M425 WeakPolarHBondContact O-CB 3.45Å; R422-M425 PolarHBondContact O-N 3.01Å; R422-F426 HydrophobicContact CB-CD2 4.32Å; R422-F426 HydrophobicContact CB-CE2 3.6Å; R422-F426 HydrophobicContact CB-CZ 3.84Å; R422-F426 WeakPolarHBondContact O-CD2 3.46Å; R422-F426 PolarHBondContact O-N 3.45Å
423	R	84.6	Confident	87.3	Confident	78 Å²	78	69.2 Å²	69.2	29%	0.294	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-51.7	-36.2	176.6	-69.3	179.4	175.3	166.8	1.2	114.5	Y416 P420 M425 F426 Q427	Y416-R423 HydrophobicContact CD2-CB 4.34Å; Y416-R423 HydrophobicContact CD2-CG 3.79Å; Y416-R423 HydrophobicContact CE1-CG 4.36Å; Y416-R423 HydrophobicContact CE2-CB 3.75Å; Y416-R423 HydrophobicContact CE2-CG 3.51Å; Y416-R423 HydrophobicContact CG-CG 4.31Å; Y416-R423 PolarHBondContact O-NE 3.28Å; Y416-R423 PolarHBondContact O-NH2 3.24Å; P420-R423 WeakPolarHBondContact O-CG 3.46Å; P420-R423 PolarHBondContact O-N 2.77Å; R423-M425 PolarHBondContact O-N 3.19Å; R423-F426 PolarHBondContact O-N 3.02Å; R423-Q427 PolarHBondContact O-NE2 2.8Å
424	P	80.4	Confident	87.2	Confident	57 Å²	57	69.2 Å²	69.2	37%	0.37	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-61.8	-21.4	172.7	-25.7	36.7	0	0	0	114.6	R422 N626	R422-P424 VanDerWaalsContact C-N 3.29Å; P424-N626 HydrophobicContact CG-CB 4.24Å
425	M	82.3	Confident	87.3	Confident	151 Å²	151	69.9 Å²	69.9	74%	0.744	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-90.2	-5.6	175	-54	-179.2	71.1	0	0	113.5	R422 R423	R422-M425 WeakPolarHBondContact O-CA 3.4Å; R422-M425 WeakPolarHBondContact O-CB 3.45Å; R422-M425 PolarHBondContact O-N 3.01Å; R423-M425 PolarHBondContact O-N 3.19Å
426	F	84.8	Confident	87.3	Confident	46 Å²	46	66 Å²	66	20%	0.202	33%	0.331	C	S	.	.	S	Bend	trans	-117.1	22.5	-177.9	-54.6	-36.9	0	0	0	111.8	K415 Y416 L419 R422 R423 S428 T431	K415-F426 HydrophobicContact CD-CZ 4.48Å; K415-F426 HydrophobicContact CG-CE2 4.27Å; K415-F426 HydrophobicContact CG-CZ 4.36Å; Y416-F426 HydrophobicContact CD2-CB 4.18Å; L419-F426 HydrophobicContact CB-CE2 4.06Å; L419-F426 HydrophobicContact CD1-CE2 4.11Å; L419-F426 HydrophobicContact CD1-CZ 4.14Å; R422-F426 HydrophobicContact CB-CD2 4.32Å; R422-F426 HydrophobicContact CB-CE2 3.6Å; R422-F426 HydrophobicContact CB-CZ 3.84Å; R422-F426 WeakPolarHBondContact O-CD2 3.46Å; R422-F426 PolarHBondContact O-N 3.45Å; R423-F426 PolarHBondContact O-N 3.02Å; F426-S428 PolarHBondContact O-N 2.97Å; F426-T431 VanDerWaalsContact O-CG2 3.29Å; F426-T431 WeakPolarHBondContact O-CG2 3.34Å
427	Q	83.8	Confident	87.3	Confident	61 Å²	61	65.7 Å²	65.7	29%	0.285	33%	0.332	S	S	.	.			trans	-66.6	126.1	179	-66	-58.6	-68.5	0	0	110.9	R423 T431	R423-Q427 PolarHBondContact O-NE2 2.8Å; Q427-T431 WeakPolarHBondContact CA-OG1 3.3Å
428	S	88.2	Confident	87.4	Confident	34 Å²	34	63.9 Å²	63.9	24%	0.238	32%	0.324	C	S	.	.			trans	-148	168.7	175.7	79	0	0	0	0	109.6	F426 R430 T431 K432	F426-S428 PolarHBondContact O-N 2.97Å; S428-R430 PolarHBondContact O-N 3.16Å; S428-R430 VanDerWaalsContact O-N 3.09Å; S428-R430 PolarHBondContact OG-N 2.85Å; S428-T431 PolarHBondContact N-OG1 2.98Å; S428-T431 PolarHBondContact O-N 3.03Å; S428-T431 PolarHBondContact O-OG1 3.47Å; S428-K432 PolarHBondContact O-N 3.25Å
429	P	87.8	Confident	87.5	Confident	114 Å²	114	57.9 Å²	57.9	74%	0.74	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-28	172.5	-27.5	36.5	0	0	0	113.5
430	R	91.3	Very high	87.8	Confident	41 Å²	41	55.4 Å²	55.4	16%	0.155	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-10.5	175.9	-78.7	-173.8	-78.2	106.5	7.3	114.7	A379 I381 R382 P384 L409 E412 S428	A379-R430 VanDerWaalsContact O-CD 3.26Å; A379-R430 WeakPolarHBondContact O-CD 3.49Å; I381-R430 WeakPolarHBondContact O-CD 3.49Å; I381-R430 WeakPolarHBondContact O-CG 3.34Å; R382-R430 WeakPolarHBondContact CA-O 3.33Å; R382-R430 VanDerWaalsContact CB-O 3.3Å; R382-R430 WeakPolarHBondContact CB-O 3.4Å; P384-R430 HydrophobicContact CG-CB 4.42Å; L409-R430 VanDerWaalsContact CD2-CZ 3.43Å; E412-R430 IonicContact OE1-CZ 2.74Å; E412-R430 IonicContact OE1-NH1 3.92Å; E412-R430 PolarHBondContact OE1-NH1 3Å; E412-R430 IonicContact OE1-NH2 3.84Å; E412-R430 IonicContact OE2-CZ 3.17Å; E412-R430 VanDerWaalsContact OE2-CZ 3.23Å; E412-R430 IonicContact OE2-NH1 3.04Å; E412-R430 PolarHBondContact OE2-NH1 3.12Å; E412-R430 IonicContact OE2-NH2 2.73Å; E412-R430 PolarHBondContact OE2-NH2 3.27Å; S428-R430 PolarHBondContact O-N 3.16Å; S428-R430 VanDerWaalsContact O-N 3.09Å; S428-R430 PolarHBondContact OG-N 2.85Å
431	T	89.7	Confident	88.5	Confident	7 Å²	7	52.2 Å²	52.2	4%	0.043	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-10.8	172.4	64.2	0	0	0	0	113.6	P384 Y416 F426 Q427 S428	P384-T431 HydrophobicContact CB-CG2 4.03Å; P384-T431 HydrophobicContact CG-CG2 4.14Å; Y416-T431 HydrophobicContact CD2-CG2 3.75Å; Y416-T431 HydrophobicContact CE2-CG2 3.52Å; Y416-T431 HydrophobicContact CG-CG2 4.49Å; F426-T431 VanDerWaalsContact O-CG2 3.29Å; F426-T431 WeakPolarHBondContact O-CG2 3.34Å; Q427-T431 WeakPolarHBondContact CA-OG1 3.3Å; S428-T431 PolarHBondContact N-OG1 2.98Å; S428-T431 PolarHBondContact O-N 3.03Å; S428-T431 PolarHBondContact O-OG1 3.47Å
432	K	89.6	Confident	89.4	Confident	71 Å²	71	46.1 Å²	46.1	31%	0.309	23%	0.234	S	C	.	.	S	Bend	trans	-83.1	127.2	171.9	-179.6	175.4	177	142.6	0	109.4	R382 S428 D680	R382-K432 PolarHBondContact NE-O 2.91Å; R382-K432 PolarHBondContact NH2-O 2.97Å; S428-K432 PolarHBondContact O-N 3.25Å; K432-D680 WeakPolarHBondContact CD-OD2 3.49Å; K432-D680 WeakPolarHBondContact CE-OD1 3.46Å; K432-D680 VanDerWaalsContact CE-OD2 3.29Å; K432-D680 WeakPolarHBondContact CE-OD2 3.37Å; K432-D680 IonicContact NZ-OD1 3.5Å; K432-D680 PolarHBondContact NZ-OD1 3.41Å; K432-D680 IonicContact NZ-OD2 2.77Å; K432-D680 PolarHBondContact NZ-OD2 2.8Å
433	P	90.7	Very high	90.1	Very high	33 Å²	33	39.4 Å²	39.4	21%	0.214	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-68.1	169.3	177.1	-15.7	29.3	0	0	0	113.3	R382 L385 T437 V438	R382-P433 PolarHBondContact NH2-O 3.07Å; R382-P433 VanDerWaalsContact NH2-O 3.07Å; L385-P433 HydrophobicContact CD1-CB 3.9Å; L385-P433 HydrophobicContact CD1-CG 3.89Å; P433-T437 VanDerWaalsContact CB-OG1 3.29Å; P433-T437 WeakPolarHBondContact CB-OG1 3.5Å; P433-V438 HydrophobicContact CB-CG1 3.76Å; P433-V438 HydrophobicContact CG-CG1 4.09Å
434	R	91.6	Very high	90.7	Very high	1 Å²	1	35.7 Å²	35.7	0%	0.004	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-79.4	155.3	170.3	-65.3	-175.3	-159.1	-100.7	0.2	110.7	L342 S344 E352 I355 Y380 S436 T437 V438	L342-R434 PolarHBondContact O-NH1 3.49Å; L342-R434 PolarHBondContact O-NH2 3.17Å; S344-R434 PolarHBondContact O-NH1 2.79Å; E352-R434 IonicContact OE1-CZ 3.56Å; E352-R434 IonicContact OE1-NE 3.56Å; E352-R434 PolarHBondContact OE1-NE 3.2Å; E352-R434 IonicContact OE1-NH2 3.73Å; E352-R434 PolarHBondContact OE1-NH2 3.02Å; E352-R434 IonicContact OE2-CZ 3.23Å; E352-R434 IonicContact OE2-NE 2.8Å; E352-R434 PolarHBondContact OE2-NE 3.02Å; E352-R434 IonicContact OE2-NH2 2.73Å; I355-R434 VanDerWaalsContact CD1-CD 3.43Å; Y380-R434 PolarHBondContact O-NH2 2.68Å; R434-S436 PolarHBondContact O-N 2.71Å; R434-T437 HydrophobicContact CB-CG2 4.26Å; R434-T437 PolarHBondContact N-OG1 3.17Å; R434-T437 PolarHBondContact O-N 3.32Å; R434-T437 PolarHBondContact O-OG1 2.69Å; R434-V438 PolarHBondContact O-N 2.96Å
435	K	92.8	Very high	91.4	Very high	62 Å²	62	33 Å²	33	27%	0.27	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-26.9	-172.6	-58.4	-174.2	-148.7	162.8	0	113.7	D345 D346 V438 L461 R462	D345-K435 HydrophobicContact CB-CG 4.46Å; D345-K435 PolarHBondContact O-N 3.02Å; D346-K435 WeakPolarHBondContact OD1-CD 3.36Å; D346-K435 VanDerWaalsContact OD1-CE 3.26Å; D346-K435 WeakPolarHBondContact OD1-CE 3.47Å; D346-K435 IonicContact OD1-NZ 3.28Å; D346-K435 PolarHBondContact OD1-NZ 3.3Å; D346-K435 WeakPolarHBondContact OD2-CE 3.45Å; D346-K435 IonicContact OD2-NZ 3.69Å; D346-K435 PolarHBondContact OD2-NZ 3.47Å; K435-V438 VanDerWaalsContact O-CG2 3.31Å; K435-V438 WeakPolarHBondContact O-CG2 3.49Å; K435-L461 HydrophobicContact CB-CB 4.32Å; K435-L461 HydrophobicContact CB-CD2 4.29Å; K435-L461 HydrophobicContact CB-CG 4.13Å; K435-L461 HydrophobicContact CD-CG 4.28Å; K435-L461 WeakPolarHBondContact CD-O 3.04Å; K435-L461 HydrophobicContact CG-CD2 4.25Å; K435-L461 HydrophobicContact CG-CG 4.13Å; K435-R462 HydrophobicContact CB-CB 4.24Å
436	S	91.8	Very high	91.9	Very high	22 Å²	22	25.8 Å²	25.8	15%	0.154	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-55.3	168.8	43.9	0	0	0	0	112	I347 V349 R434 V438 G439	I347-S436 WeakPolarHBondContact O-CB 3.48Å; I347-S436 PolarHBondContact O-OG 3.32Å; V349-S436 WeakPolarHBondContact O-CB 3.36Å; V349-S436 PolarHBondContact O-OG 3.02Å; R434-S436 PolarHBondContact O-N 2.71Å; S436-V438 VanDerWaalsContact C-N 3.26Å; S436-V438 PolarHBondContact O-N 3.44Å; S436-V438 VanDerWaalsContact O-N 3.13Å; S436-G439 PolarHBondContact O-N 3.26Å
437	T	91.5	Very high	92.2	Very high	20 Å²	20	26.6 Å²	26.6	12%	0.123	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-13.1	-173	66.6	0	0	0	0	115.9	V349 P433 R434 G439 K726	V349-T437 HydrophobicContact CG2-CG2 4.23Å; P433-T437 VanDerWaalsContact CB-OG1 3.29Å; P433-T437 WeakPolarHBondContact CB-OG1 3.5Å; R434-T437 HydrophobicContact CB-CG2 4.26Å; R434-T437 PolarHBondContact N-OG1 3.17Å; R434-T437 PolarHBondContact O-N 3.32Å; R434-T437 PolarHBondContact O-OG1 2.69Å; T437-G439 VanDerWaalsContact C-N 3.28Å; T437-K726 PolarHBondContact O-NZ 2.71Å
438	V	91.9	Very high	92.5	Very high	8 Å²	8	24.2 Å²	24.2	5%	0.048	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-19.3	176.4	-61.5	0	0	0	0	113	P433 R434 K435 S436 L461 L678 G679 K726	P433-V438 HydrophobicContact CB-CG1 3.76Å; P433-V438 HydrophobicContact CG-CG1 4.09Å; R434-V438 PolarHBondContact O-N 2.96Å; K435-V438 VanDerWaalsContact O-CG2 3.31Å; K435-V438 WeakPolarHBondContact O-CG2 3.49Å; S436-V438 VanDerWaalsContact C-N 3.26Å; S436-V438 PolarHBondContact O-N 3.44Å; S436-V438 VanDerWaalsContact O-N 3.13Å; V438-L461 HydrophobicContact CG2-CB 4.45Å; V438-L461 HydrophobicContact CG2-CD2 3.75Å; V438-L678 HydrophobicContact CB-CD1 4.25Å; V438-L678 HydrophobicContact CG2-CD1 3.86Å; V438-L678 HydrophobicContact CG2-CG 4.25Å; V438-G679 VanDerWaalsContact CG1-CA 3.4Å; V438-K726 WeakPolarHBondContact O-CE 3.12Å
439	G	92.9	Very high	92.5	Very high	11 Å²	11	26.8 Å²	26.8	11%	0.113	16%	0.159	C	C	.	.			trans	86.3	-168	-169.4	0	0	0	0	0	112.4	S436 T437 V725	S436-G439 PolarHBondContact O-N 3.26Å; T437-G439 VanDerWaalsContact C-N 3.28Å; G439-V725 WeakPolarHBondContact CA-O 3.36Å
440	A	95.1	Very high	92.4	Very high	7 Å²	7	25.2 Å²	25.2	6%	0.058	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	148.4	-177.9	0	0	0	0	0	111.4	Y442 K458 Y459 V724 V725	A440-Y442 HydrophobicContact CB-CE2 3.96Å; A440-Y442 WeakPolarHBondContact O-CD2 3.4Å; A440-K458 HydrophobicContact CB-CD 4.06Å; A440-K458 HydrophobicContact CB-CG 3.75Å; A440-Y459 WeakPolarHBondContact CB-O 3.29Å; A440-V724 CarbonylContact O-C 3.57Å; A440-V724 WeakPolarHBondContact O-CA 3.43Å; A440-V725 PolarHBondContact N-O 3.11Å; A440-V725 PolarHBondContact O-N 3.35Å
441	L	96.9	Very high	91.8	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	129.1	-176.7	178.9	154.9	0	0	0	109.9	K458 Y459 W466 C676 L678 Y683 V685 V722 V724	L441-K458 CarbonylContact O-C 3.6Å; L441-K458 WeakPolarHBondContact O-CA 3.3Å; L441-Y459 PolarHBondContact N-O 2.98Å; L441-Y459 VanDerWaalsContact N-O 3.14Å; L441-Y459 PolarHBondContact O-N 3.49Å; L441-W466 HydrophobicContact CD2-CH2 3.31Å; L441-W466 HydrophobicContact CD2-CZ2 4.08Å; L441-W466 HydrophobicContact CD2-CZ3 3.99Å; L441-C676 HydrophobicContact CD1-CB 4.3Å; L441-L678 HydrophobicContact CB-CD1 4.46Å; L441-L678 HydrophobicContact CB-CD2 4.04Å; L441-L678 HydrophobicContact CD1-CB 4.28Å; L441-Y683 HydrophobicContact CD1-CD2 4.49Å; L441-Y683 HydrophobicContact CD1-CG 4.14Å; L441-V685 HydrophobicContact CD2-CG2 4.28Å; L441-V722 HydrophobicContact CD1-CG1 4.01Å; L441-V722 HydrophobicContact CD2-CG1 3.64Å; L441-V722 HydrophobicContact CG-CG1 3.82Å; L441-V724 HydrophobicContact CB-CG2 4.06Å; L441-V724 HydrophobicContact CD1-CG2 4.44Å; L441-V724 HydrophobicContact CG-CG2 4.38Å
442	Y	97.6	Very high	91.4	Very high	4 Å²	4	30.8 Å²	30.8	2%	0.016	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	120.7	-172.9	-77.5	-111.1	0	0	0	110.3	A440 I456 E457 K458 V469 L488 P508 V722 V723 V725 L727	A440-Y442 HydrophobicContact CB-CE2 3.96Å; A440-Y442 WeakPolarHBondContact O-CD2 3.4Å; Y442-I456 HydrophobicContact CD1-CG2 3.75Å; Y442-I456 HydrophobicContact CE1-CG2 4.45Å; Y442-E457 CarbonylContact C-O 3.57Å; Y442-E457 WeakPolarHBondContact CA-O 3.09Å; Y442-K458 HydrophobicContact CE1-CB 4.3Å; Y442-K458 HydrophobicContact CE2-CG 3.99Å; Y442-V469 HydrophobicContact CD1-CG2 4.25Å; Y442-V469 HydrophobicContact CE1-CG2 3.79Å; Y442-L488 HydrophobicContact CD1-CD1 3.89Å; Y442-L488 HydrophobicContact CG-CD1 4.44Å; Y442-P508 HydrophobicContact CE1-CB 4.13Å; Y442-V722 WeakPolarHBondContact O-CA 3.33Å; Y442-V723 PolarHBondContact N-O 3.36Å; Y442-V723 PolarHBondContact O-N 3.14Å; Y442-V723 VanDerWaalsContact O-N 3.17Å; Y442-V725 HydrophobicContact CD2-CB 3.97Å; Y442-V725 HydrophobicContact CD2-CG2 3.68Å; Y442-V725 HydrophobicContact CE2-CB 3.7Å; Y442-V725 HydrophobicContact CE2-CG2 3.84Å; Y442-V725 HydrophobicContact CG-CG2 4.24Å; Y442-L727 WeakPolarHBondContact OH-CD1 3.4Å
443	A	97.2	Very high	91.2	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	105.9	170.8	0	0	0	0	0	109.8	E457 W466 V685 L713	A443-E457 PolarHBondContact N-O 3.27Å; A443-E457 PolarHBondContact O-N 2.87Å; A443-E457 VanDerWaalsContact O-N 3.1Å; A443-W466 HydrophobicContact CB-CH2 3.95Å; A443-W466 HydrophobicContact CB-CZ3 3.67Å; A443-V685 HydrophobicContact CB-CG1 4.47Å; A443-L713 HydrophobicContact CB-CD2 3.91Å
444	V	96.9	Very high	91.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	112.9	-173.7	-173.8	0	0	0	0	110.2	I456 M472 F479 V481 L488 V490 C721	V444-I456 HydrophobicContact CG1-CD1 4.45Å; V444-I456 HydrophobicContact CG1-CG1 4.25Å; V444-I456 HydrophobicContact CG2-CG2 4.4Å; V444-M472 HydrophobicContact CG1-SD 4.02Å; V444-F479 HydrophobicContact CB-CE2 4.34Å; V444-F479 HydrophobicContact CG1-CE2 3.79Å; V444-F479 HydrophobicContact CG1-CZ 4.01Å; V444-F479 WeakPolarHBondContact O-CZ 3.25Å; V444-V481 HydrophobicContact CB-CG2 4.21Å; V444-V481 HydrophobicContact CG1-CG2 4.12Å; V444-V481 HydrophobicContact CG2-CG2 4.4Å; V444-L488 HydrophobicContact CG2-CD1 3.93Å; V444-V490 HydrophobicContact CG1-CG2 4.47Å; V444-C721 HydrophobicContact CB-CB 4.37Å; V444-C721 PolarHBondContact N-O 2.95Å; V444-C721 PolarHBondContact O-N 3.41Å; V444-C721 VanDerWaalsContact O-N 3.14Å
445	G	94.9	Very high	91.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.165	C	C	.	.			trans	57.2	-138.7	172	0	0	0	0	0	114.5	S453 T455 R717 A720	G445-S453 VanDerWaalsContact CA-O 3.25Å; G445-S453 WeakPolarHBondContact CA-O 3.37Å; G445-T455 PolarHBondContact N-O 2.96Å; G445-R717 WeakPolarHBondContact O-CD 3.42Å; G445-R717 PolarHBondContact O-NH1 2.75Å; G445-A720 VanDerWaalsContact O-CB 3.27Å; G445-A720 WeakPolarHBondContact O-CB 3.42Å
446	G	92.6	Very high	91.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.152	C	C	.	.			trans	106	177.3	-176.4	0	0	0	0	0	113	S453 A718	G446-S453 PolarHBondContact O-N 3.07Å; G446-A718 CarbonylContact C-O 3.47Å; G446-A718 WeakPolarHBondContact CA-O 3.41Å
447	M	92.3	Very high	91.9	Very high	62 Å²	62	24.6 Å²	24.6	31%	0.305	15%	0.145	S	C	.	.	B	Isolated β-bridge	trans	-88.4	127.2	173	-169.4	172.7	-71.9	0	0	110	L477 Y693 R717 A718	M447-L477 HydrophobicContact CB-CD2 3.93Å; M447-L477 HydrophobicContact CE-CD1 3.6Å; M447-L477 HydrophobicContact CE-CD2 4.34Å; M447-Y693 HydrophobicContact CB-CE1 4.08Å; M447-Y693 HydrophobicContact CG-CE1 3.69Å; M447-Y693 VanDerWaalsContact O-CD1 3.29Å; M447-Y693 WeakPolarHBondContact O-CD1 3.29Å; M447-Y693 HydrophobicContact SD-CE1 4.01Å; M447-Y693 PolarHBondContact SD-OH 3.34Å; M447-Y693 VanDerWaalsContact SD-OH 3.35Å; M447-R717 CarbonylContact O-C 3.55Å; M447-R717 VanDerWaalsContact O-CA 3.28Å; M447-R717 WeakPolarHBondContact O-CA 3.07Å; M447-A718 PolarHBondContact N-O 2.73Å; M447-A718 PolarHBondContact O-N 3.35Å
448	D	90.5	Very high	92.1	Very high	11 Å²	11	26 Å²	26	6%	0.059	15%	0.149	C	C	.	.			trans	-121.4	-174.7	178.6	73.9	-46.8	0	0	0	110.5	T450 K451 G452 S453 Y693 I715	D448-T450 VanDerWaalsContact CG-OG1 3.32Å; D448-T450 PolarHBondContact O-N 3.08Å; D448-T450 PolarHBondContact OD1-N 3.48Å; D448-T450 PolarHBondContact OD1-OG1 2.99Å; D448-T450 VanDerWaalsContact OD1-OG1 3.13Å; D448-T450 WeakPolarHBondContact OD2-CA 3.41Å; D448-T450 VanDerWaalsContact OD2-CB 3.27Å; D448-T450 WeakPolarHBondContact OD2-CB 3.46Å; D448-T450 WeakPolarHBondContact OD2-CG2 3.48Å; D448-T450 PolarHBondContact OD2-N 2.8Å; D448-T450 PolarHBondContact OD2-OG1 3.18Å; D448-K451 PolarHBondContact O-N 2.84Å; D448-K451 PolarHBondContact OD1-N 2.98Å; D448-G452 WeakPolarHBondContact OD1-CA 3.35Å; D448-G452 PolarHBondContact OD1-N 2.93Å; D448-S453 PolarHBondContact OD1-N 3.44Å; D448-S453 VanDerWaalsContact OD1-N 3.12Å; D448-Y693 VanDerWaalsContact C-CE2 3.49Å; D448-Y693 VanDerWaalsContact O-CE2 3.28Å; D448-Y693 WeakPolarHBondContact O-CE2 3.41Å; D448-I715 HydrophobicContact CB-CG2 4.18Å
449	A	86.6	Confident	92.3	Very high	88 Å²	88	25.8 Å²	25.8	73%	0.727	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-29.3	173.4	0	0	0	0	0	113.6	K451	A449-K451 VanDerWaalsContact C-N 3.28Å; A449-K451 PolarHBondContact O-N 2.96Å
450	T	85.6	Confident	92.3	Very high	81 Å²	81	26.8 Å²	26.8	50%	0.497	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	10.9	174.5	80.7	0	0	0	0	114.1	D448 G452 R475	D448-T450 VanDerWaalsContact CG-OG1 3.32Å; D448-T450 PolarHBondContact O-N 3.08Å; D448-T450 PolarHBondContact OD1-N 3.48Å; D448-T450 PolarHBondContact OD1-OG1 2.99Å; D448-T450 VanDerWaalsContact OD1-OG1 3.13Å; D448-T450 WeakPolarHBondContact OD2-CA 3.41Å; D448-T450 VanDerWaalsContact OD2-CB 3.27Å; D448-T450 WeakPolarHBondContact OD2-CB 3.46Å; D448-T450 WeakPolarHBondContact OD2-CG2 3.48Å; D448-T450 PolarHBondContact OD2-N 2.8Å; D448-T450 PolarHBondContact OD2-OG1 3.18Å; T450-G452 PolarHBondContact O-N 3.29Å; T450-R475 PolarHBondContact O-NH1 3.2Å; T450-R475 PolarHBondContact O-NH2 3.12Å; T450-R475 PolarHBondContact OG1-NH2 3.21Å; T450-R475 VanDerWaalsContact OG1-NH2 3.15Å
451	K	79.1	Confident	92.1	Very high	164 Å²	164	28 Å²	28	71%	0.713	16%	0.155	S	C	*	.	S	Bend	trans	68.3	22.1	177.3	-50.9	179.8	-178.9	177.5	0	115.9	D448 A449	D448-K451 PolarHBondContact O-N 2.84Å; D448-K451 PolarHBondContact OD1-N 2.98Å; A449-K451 VanDerWaalsContact C-N 3.28Å; A449-K451 PolarHBondContact O-N 2.96Å
452	G	81.2	Confident	91.8	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.01	16%	0.164	C	C	.	.			trans	158.4	99.4	171	0	0	0	0	0	112.6	D448 T450 R475	D448-G452 WeakPolarHBondContact OD1-CA 3.35Å; D448-G452 PolarHBondContact OD1-N 2.93Å; T450-G452 PolarHBondContact O-N 3.29Å; G452-R475 PolarHBondContact O-NH1 2.94Å
453	S	86.8	Confident	91.5	Very high	5 Å²	5	33 Å²	33	4%	0.035	18%	0.182	C	C	.	.			trans	-72.8	133	173.2	178.7	0	0	0	0	110.6	G445 G446 D448 T455	G445-S453 VanDerWaalsContact CA-O 3.25Å; G445-S453 WeakPolarHBondContact CA-O 3.37Å; G446-S453 PolarHBondContact O-N 3.07Å; D448-S453 PolarHBondContact OD1-N 3.44Å; D448-S453 VanDerWaalsContact OD1-N 3.12Å; S453-T455 PolarHBondContact OG-N 3.45Å; S453-T455 VanDerWaalsContact OG-N 3.09Å; S453-T455 PolarHBondContact OG-OG1 3.49Å; S453-T455 VanDerWaalsContact OG-OG1 3.12Å
454	T	93.1	Very high	91.3	Very high	38 Å²	38	36.5 Å²	36.5	23%	0.233	20%	0.2	C	C	.	.			trans	-95.4	-3.4	168.2	57.5	0	0	0	0	112.4	V471 M472 G474 R475	T454-V471 CarbonylContact O-C 3.55Å; T454-V471 VanDerWaalsContact O-CA 3.29Å; T454-V471 WeakPolarHBondContact O-CA 3.22Å; T454-M472 PolarHBondContact O-N 3.46Å; T454-G474 WeakPolarHBondContact CG2-O 3.29Å; T454-R475 HydrophobicContact CG2-CG 4.02Å
455	T	94.8	Very high	91.2	Very high	16 Å²	16	39.4 Å²	39.4	10%	0.098	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	142.3	-167.6	73.8	0	0	0	0	112.8	G445 S453 V471 I715 R717	G445-T455 PolarHBondContact N-O 2.96Å; S453-T455 PolarHBondContact OG-N 3.45Å; S453-T455 VanDerWaalsContact OG-N 3.09Å; S453-T455 PolarHBondContact OG-OG1 3.49Å; S453-T455 VanDerWaalsContact OG-OG1 3.12Å; T455-V471 HydrophobicContact CG2-CG1 4.4Å; T455-I715 HydrophobicContact CG2-CD1 4.19Å; T455-R717 PolarHBondContact O-NH1 2.79Å; T455-R717 PolarHBondContact OG1-NH2 3.11Å
456	I	95.7	Very high	91.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	109.5	172.8	-56.1	-178.1	0	0	0	107.4	Y442 V444 Q468 V469 G470 L488 Y506 W513	Y442-I456 HydrophobicContact CD1-CG2 3.75Å; Y442-I456 HydrophobicContact CE1-CG2 4.45Å; V444-I456 HydrophobicContact CG1-CD1 4.45Å; V444-I456 HydrophobicContact CG1-CG1 4.25Å; V444-I456 HydrophobicContact CG2-CG2 4.4Å; I456-Q468 WeakPolarHBondContact O-CA 3.37Å; I456-V469 HydrophobicContact CB-CG2 4.4Å; I456-V469 HydrophobicContact CG2-CG2 3.86Å; I456-V469 WeakPolarHBondContact O-CG2 3.46Å; I456-V469 PolarHBondContact O-N 2.82Å; I456-G470 PolarHBondContact N-O 2.83Å; I456-L488 HydrophobicContact CD1-CD1 4.41Å; I456-L488 HydrophobicContact CG2-CD1 4.29Å; I456-Y506 HydrophobicContact CD1-CD1 4.2Å; I456-Y506 HydrophobicContact CD1-CE1 4.31Å; I456-W513 HydrophobicContact CD1-CH2 4.29Å; I456-W513 HydrophobicContact CD1-CZ2 3.88Å
457	E	96	Very high	91.5	Very high	1 Å²	1	44 Å²	44	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	133.6	173.1	-63	-174.8	-130.2	0	0	109.8	Y442 A443 W466 V467 N714 I715 R717	Y442-E457 CarbonylContact C-O 3.57Å; Y442-E457 WeakPolarHBondContact CA-O 3.09Å; A443-E457 PolarHBondContact N-O 3.27Å; A443-E457 PolarHBondContact O-N 2.87Å; A443-E457 VanDerWaalsContact O-N 3.1Å; E457-W466 HydrophobicContact CB-CE3 3.72Å; E457-W466 HydrophobicContact CB-CZ3 4.16Å; E457-V467 CarbonylContact C-O 3.56Å; E457-V467 WeakPolarHBondContact CA-O 3.43Å; E457-N714 VanDerWaalsContact OE2-CB 3.25Å; E457-N714 WeakPolarHBondContact OE2-CB 3.39Å; E457-N714 PolarHBondContact OE2-N 3.03Å; E457-N714 PolarHBondContact OE2-ND2 2.7Å; E457-I715 PolarHBondContact OE1-N 3.11Å; E457-I715 VanDerWaalsContact OE1-N 3.1Å; E457-R717 IonicContact OE1-CZ 3.89Å; E457-R717 IonicContact OE1-NE 3.09Å; E457-R717 IonicContact OE1-NH2 3.52Å; E457-R717 PolarHBondContact OE1-NH2 2.58Å
458	K	96.1	Very high	91.6	Very high	49 Å²	49	46 Å²	46	21%	0.213	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	124.2	171.3	178.4	-152.7	171.2	-162.9	0	108.3	A440 L441 Y442 D460 W466 V467 V469	A440-K458 HydrophobicContact CB-CD 4.06Å; A440-K458 HydrophobicContact CB-CG 3.75Å; L441-K458 CarbonylContact O-C 3.6Å; L441-K458 WeakPolarHBondContact O-CA 3.3Å; Y442-K458 HydrophobicContact CE1-CB 4.3Å; Y442-K458 HydrophobicContact CE2-CG 3.99Å; K458-D460 WeakPolarHBondContact CE-OD2 3.35Å; K458-D460 IonicContact NZ-OD2 2.66Å; K458-D460 PolarHBondContact NZ-OD2 2.86Å; K458-W466 CarbonylContact O-C 3.56Å; K458-W466 WeakPolarHBondContact O-CA 3.28Å; K458-V467 PolarHBondContact N-O 2.72Å; K458-V467 PolarHBondContact O-N 2.89Å; K458-V469 HydrophobicContact CB-CB 4.47Å; K458-V469 HydrophobicContact CB-CG1 3.62Å; K458-V469 HydrophobicContact CB-CG2 3.96Å; K458-V469 HydrophobicContact CD-CG1 4.27Å
459	Y	96.3	Very high	91.8	Very high	4 Å²	4	47.2 Å²	47.2	2%	0.016	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	131.7	161.6	179.4	-114.4	0	0	0	109.9	A440 L441 L461 N464 T465 W466 L678 Y683	A440-Y459 WeakPolarHBondContact CB-O 3.29Å; L441-Y459 PolarHBondContact N-O 2.98Å; L441-Y459 VanDerWaalsContact N-O 3.14Å; L441-Y459 PolarHBondContact O-N 3.49Å; Y459-L461 HydrophobicContact CE1-CB 4.35Å; Y459-L461 HydrophobicContact CE1-CD1 3.94Å; Y459-N464 WeakPolarHBondContact CE2-OD1 3.36Å; Y459-N464 PolarHBondContact OH-OD1 3.48Å; Y459-T465 WeakPolarHBondContact CA-O 3.37Å; Y459-W466 AromaticContact CD2-CD1 3.93Å; Y459-W466 HydrophobicContact CD2-CD2 4.21Å; Y459-W466 AromaticContact CD2-CE2 3.99Å; Y459-W466 HydrophobicContact CD2-CG 4.22Å; Y459-W466 AromaticContact CD2-NE1 3.75Å; Y459-W466 HydrophobicContact CG-CD2 4.37Å; Y459-W466 HydrophobicContact CG-CZ2 4.34Å; Y459-L678 HydrophobicContact CD1-CD2 3.81Å; Y459-L678 HydrophobicContact CE1-CD2 3.92Å; Y459-Y683 HydrophobicContact CE1-CE1 4.17Å
460	D	92.6	Very high	92	Very high	32 Å²	32	43.8 Å²	43.8	17%	0.171	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	122.9	173.7	-167.4	-55.4	0	0	0	109.9	K458 R462 T463 N464 T465	K458-D460 WeakPolarHBondContact CE-OD2 3.35Å; K458-D460 IonicContact NZ-OD2 2.66Å; K458-D460 PolarHBondContact NZ-OD2 2.86Å; D460-R462 VanDerWaalsContact C-N 3.33Å; D460-R462 PolarHBondContact O-N 2.85Å; D460-R462 WeakPolarHBondContact OD1-CB 3.13Å; D460-R462 PolarHBondContact OD1-N 2.8Å; D460-T463 PolarHBondContact OD1-N 3.39Å; D460-N464 VanDerWaalsContact O-CA 3.28Å; D460-N464 WeakPolarHBondContact O-CA 3.5Å; D460-N464 PolarHBondContact O-N 3.38Å; D460-T465 PolarHBondContact N-O 2.83Å; D460-T465 VanDerWaalsContact N-O 3.11Å; D460-T465 PolarHBondContact O-N 3.38Å
461	L	92.3	Very high	92.5	Very high	31 Å²	31	43.3 Å²	43.3	16%	0.162	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-22.4	-173.8	-172.5	63.6	0	0	0	112.8	K435 V438 Y459 L678	K435-L461 HydrophobicContact CB-CB 4.32Å; K435-L461 HydrophobicContact CB-CD2 4.29Å; K435-L461 HydrophobicContact CB-CG 4.13Å; K435-L461 HydrophobicContact CD-CG 4.28Å; K435-L461 WeakPolarHBondContact CD-O 3.04Å; K435-L461 HydrophobicContact CG-CD2 4.25Å; K435-L461 HydrophobicContact CG-CG 4.13Å; V438-L461 HydrophobicContact CG2-CB 4.45Å; V438-L461 HydrophobicContact CG2-CD2 3.75Å; Y459-L461 HydrophobicContact CE1-CB 4.35Å; Y459-L461 HydrophobicContact CE1-CD1 3.94Å; L461-L678 HydrophobicContact CB-CD2 4.37Å
462	R	91	Very high	93.1	Very high	48 Å²	48	36.1 Å²	36.1	18%	0.181	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-48.5	176.7	-178.4	-176.9	60	92.6	-2.3	110.8	E319 D346 K435 D460 N464	E319-R462 IonicContact OE1-CZ 2.73Å; E319-R462 VanDerWaalsContact OE1-CZ 3.28Å; E319-R462 IonicContact OE1-NH1 2.79Å; E319-R462 PolarHBondContact OE1-NH1 2.9Å; E319-R462 IonicContact OE1-NH2 3.18Å; E319-R462 PolarHBondContact OE1-NH2 2.84Å; D346-R462 HydrophobicContact CB-CG 4.44Å; D346-R462 WeakPolarHBondContact O-CD 3.45Å; K435-R462 HydrophobicContact CB-CB 4.24Å; D460-R462 VanDerWaalsContact C-N 3.33Å; D460-R462 PolarHBondContact O-N 2.85Å; D460-R462 WeakPolarHBondContact OD1-CB 3.13Å; D460-R462 PolarHBondContact OD1-N 2.8Å; R462-N464 VanDerWaalsContact C-N 3.34Å
463	T	90.4	Very high	93.4	Very high	63 Å²	63	41 Å²	41	39%	0.387	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-10.9	179.6	62.4	0	0	0	0	113.4	D460 T465	D460-T463 PolarHBondContact OD1-N 3.39Å; T463-T465 VanDerWaalsContact C-N 3.31Å; T463-T465 WeakPolarHBondContact CB-OG1 3.42Å; T463-T465 PolarHBondContact O-N 2.6Å; T463-T465 PolarHBondContact OG1-OG1 3.27Å
464	N	92.8	Very high	93.5	Very high	72 Å²	72	42.5 Å²	42.5	39%	0.385	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	52	44.5	-176	-163.6	16.8	0	0	0	113.2	Y459 D460 R462 V711	Y459-N464 WeakPolarHBondContact CE2-OD1 3.36Å; Y459-N464 PolarHBondContact OH-OD1 3.48Å; D460-N464 VanDerWaalsContact O-CA 3.28Å; D460-N464 WeakPolarHBondContact O-CA 3.5Å; D460-N464 PolarHBondContact O-N 3.38Å; R462-N464 VanDerWaalsContact C-N 3.34Å; N464-V711 VanDerWaalsContact OD1-CG2 3.29Å; N464-V711 WeakPolarHBondContact OD1-CG2 3.48Å
465	T	95.2	Very high	93.3	Very high	61 Å²	61	46.2 Å²	46.2	37%	0.374	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	148.2	-175.2	46	0	0	0	0	113	Y459 D460 T463	Y459-T465 WeakPolarHBondContact CA-O 3.37Å; D460-T465 PolarHBondContact N-O 2.83Å; D460-T465 VanDerWaalsContact N-O 3.11Å; D460-T465 PolarHBondContact O-N 3.38Å; T463-T465 VanDerWaalsContact C-N 3.31Å; T463-T465 WeakPolarHBondContact CB-OG1 3.42Å; T463-T465 PolarHBondContact O-N 2.6Å; T463-T465 PolarHBondContact OG1-OG1 3.27Å
466	W	96.6	Very high	93.2	Very high	16 Å²	16	47 Å²	47	6%	0.061	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	123.7	170.3	-73.6	97.2	0	0	0	110.6	L441 A443 E457 K458 Y459 V685 V697 V711 L713 N714	L441-W466 HydrophobicContact CD2-CH2 3.31Å; L441-W466 HydrophobicContact CD2-CZ2 4.08Å; L441-W466 HydrophobicContact CD2-CZ3 3.99Å; A443-W466 HydrophobicContact CB-CH2 3.95Å; A443-W466 HydrophobicContact CB-CZ3 3.67Å; E457-W466 HydrophobicContact CB-CE3 3.72Å; E457-W466 HydrophobicContact CB-CZ3 4.16Å; K458-W466 CarbonylContact O-C 3.56Å; K458-W466 WeakPolarHBondContact O-CA 3.28Å; Y459-W466 AromaticContact CD2-CD1 3.93Å; Y459-W466 HydrophobicContact CD2-CD2 4.21Å; Y459-W466 AromaticContact CD2-CE2 3.99Å; Y459-W466 HydrophobicContact CD2-CG 4.22Å; Y459-W466 AromaticContact CD2-NE1 3.75Å; Y459-W466 HydrophobicContact CG-CD2 4.37Å; Y459-W466 HydrophobicContact CG-CZ2 4.34Å; W466-V685 HydrophobicContact CH2-CG1 4.04Å; W466-V685 HydrophobicContact CZ2-CG1 4.24Å; W466-V685 HydrophobicContact CZ2-CG2 4.43Å; W466-V697 HydrophobicContact CZ2-CG2 3.88Å; W466-V711 VanDerWaalsContact CD1-O 3.31Å; W466-V711 PolarHBondContact NE1-O 2.95Å; W466-L713 HydrophobicContact CD2-CD2 3.85Å; W466-L713 HydrophobicContact CE3-CD2 3.78Å; W466-L713 HydrophobicContact CH2-CD2 3.52Å; W466-L713 HydrophobicContact CZ2-CD2 3.64Å; W466-L713 HydrophobicContact CZ2-CG 4.21Å; W466-L713 HydrophobicContact CZ3-CD2 3.62Å; W466-N714 WeakPolarHBondContact CB-ND2 3.4Å; W466-N714 PolarHBondContact O-ND2 2.76Å
467	V	95.8	Very high	93.1	Very high	80 Å²	80	48.1 Å²	48.1	49%	0.485	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	132.3	-180	-176.5	0	0	0	0	110.1	E457 K458 V469	E457-V467 CarbonylContact C-O 3.56Å; E457-V467 WeakPolarHBondContact CA-O 3.43Å; K458-V467 PolarHBondContact N-O 2.72Å; K458-V467 PolarHBondContact O-N 2.89Å; V467-V469 PolarHBondContact O-N 2.61Å
468	Q	95.1	Very high	93	Very high	105 Å²	105	51 Å²	51	49%	0.491	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	114.5	172.2	-174.4	177.6	-66.3	0	0	110.3	I456	I456-Q468 WeakPolarHBondContact O-CA 3.37Å
469	V	94.2	Very high	93.1	Very high	37 Å²	37	49 Å²	49	22%	0.224	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	-18.7	-175.6	-69	0	0	0	0	113.9	Y442 I456 K458 V467 Y506	Y442-V469 HydrophobicContact CD1-CG2 4.25Å; Y442-V469 HydrophobicContact CE1-CG2 3.79Å; I456-V469 HydrophobicContact CB-CG2 4.4Å; I456-V469 HydrophobicContact CG2-CG2 3.86Å; I456-V469 WeakPolarHBondContact O-CG2 3.46Å; I456-V469 PolarHBondContact O-N 2.82Å; K458-V469 HydrophobicContact CB-CB 4.47Å; K458-V469 HydrophobicContact CB-CG1 3.62Å; K458-V469 HydrophobicContact CB-CG2 3.96Å; K458-V469 HydrophobicContact CD-CG1 4.27Å; V467-V469 PolarHBondContact O-N 2.61Å; V469-Y506 PolarHBondContact O-OH 2.8Å
470	G	92.3	Very high	93.1	Very high	15 Å²	15	49.1 Å²	49.1	16%	0.155	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.7	179.8	179.1	0	0	0	0	0	113.9	I456	I456-G470 PolarHBondContact N-O 2.83Å
471	V	94.6	Very high	93.4	Very high	71 Å²	71	48.1 Å²	48.1	43%	0.43	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	150	174.1	-65.5	0	0	0	0	110.5	T454 T455 W513	T454-V471 CarbonylContact O-C 3.55Å; T454-V471 VanDerWaalsContact O-CA 3.29Å; T454-V471 WeakPolarHBondContact O-CA 3.22Å; T455-V471 HydrophobicContact CG2-CG1 4.4Å; V471-W513 PolarHBondContact O-NE1 2.86Å
472	M	93.3	Very high	93.5	Very high	14 Å²	14	46.9 Å²	46.9	7%	0.069	25%	0.254	C	S	.	.			trans	-74.9	151.2	171.4	-60.5	-169	-65.3	0	0	111.7	V444 T454 G474 R476 F479 W513	V444-M472 HydrophobicContact CG1-SD 4.02Å; T454-M472 PolarHBondContact O-N 3.46Å; M472-G474 PolarHBondContact O-N 2.64Å; M472-R476 HydrophobicContact CE-CB 4.43Å; M472-F479 HydrophobicContact CE-CE1 3.95Å; M472-F479 HydrophobicContact CE-CZ 3.95Å; M472-F479 HydrophobicContact SD-CE1 4.22Å; M472-F479 HydrophobicContact SD-CE2 4.33Å; M472-F479 HydrophobicContact SD-CZ 3.83Å; M472-W513 HydrophobicContact CB-CH2 4.49Å; M472-W513 HydrophobicContact CB-CZ2 4.21Å; M472-W513 HydrophobicContact CG-CH2 4.01Å; M472-W513 HydrophobicContact CG-CZ2 3.98Å
473	N	87.7	Confident	93.8	Very high	103 Å²	103	46.4 Å²	46.4	55%	0.551	26%	0.257	S	S	*	.	S	Bend	trans	-62.7	-9.9	-179.3	-65.4	-35.6	0	0	0	114.9	E504	N473-E504 PolarHBondContact ND2-OE1 3.16Å
474	G	86.9	Confident	93.9	Very high	37 Å²	37	44.8 Å²	44.8	38%	0.381	25%	0.245	S	C	.	.	S	Bend	trans	-173.1	172.9	177	0	0	0	0	0	111.9	T454 M472	T454-G474 WeakPolarHBondContact CG2-O 3.29Å; M472-G474 PolarHBondContact O-N 2.64Å
475	R	89.2	Confident	93.8	Very high	115 Å²	115	46.9 Å²	46.9	43%	0.434	26%	0.257	S	S	.	.			trans	-66.2	133.3	172.7	-74.5	175	171.3	-102.4	-8.3	109.4	T450 G452 T454	T450-R475 PolarHBondContact O-NH1 3.2Å; T450-R475 PolarHBondContact O-NH2 3.12Å; T450-R475 PolarHBondContact OG1-NH2 3.21Å; T450-R475 VanDerWaalsContact OG1-NH2 3.15Å; G452-R475 PolarHBondContact O-NH1 2.94Å; T454-R475 HydrophobicContact CG2-CG 4.02Å
476	R	92.7	Very high	93.6	Very high	33 Å²	33	47 Å²	47	13%	0.125	26%	0.255	C	S	.	.			trans	-153.5	139.1	178.9	-167.6	175.5	-76.2	163.6	8.8	109.3	M472 F479 G492 R494 E504	M472-R476 HydrophobicContact CE-CB 4.43Å; R476-F479 HydrophobicContact CB-CD1 4.06Å; R476-F479 HydrophobicContact CB-CE1 4.37Å; R476-F479 HydrophobicContact CG-CB 4.18Å; R476-F479 HydrophobicContact CG-CD1 3.71Å; R476-F479 HydrophobicContact CG-CG 4.25Å; R476-F479 WeakPolarHBondContact O-CE1 3.17Å; R476-G492 VanDerWaalsContact CD-O 3.29Å; R476-G492 WeakPolarHBondContact CD-O 3.43Å; R476-R494 WeakPolarHBondContact CA-O 3.26Å; R476-E504 IonicContact CZ-OE2 3.11Å; R476-E504 IonicContact NH1-OE2 2.7Å; R476-E504 PolarHBondContact NH1-OE2 2.85Å; R476-E504 IonicContact NH2-OE2 2.67Å; R476-E504 PolarHBondContact NH2-OE2 3.44Å
477	L	94	Very high	93.5	Very high	23 Å²	23	49.1 Å²	49.1	12%	0.12	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	149.3	-178	-66.1	172.1	0	0	0	110.2	M447 F479 G493 R494	M447-L477 HydrophobicContact CB-CD2 3.93Å; M447-L477 HydrophobicContact CE-CD1 3.6Å; M447-L477 HydrophobicContact CE-CD2 4.34Å; L477-F479 PolarHBondContact O-N 2.7Å; L477-F479 VanDerWaalsContact O-N 3.13Å; L477-G493 CarbonylContact O-C 3.56Å; L477-G493 VanDerWaalsContact O-CA 3.31Å; L477-G493 WeakPolarHBondContact O-CA 3.47Å; L477-R494 HydrophobicContact CB-CG 4.4Å; L477-R494 PolarHBondContact N-O 2.83Å; L477-R494 PolarHBondContact O-N 2.77Å
478	Q	94.8	Very high	93.6	Very high	62 Å²	62	45.3 Å²	45.3	29%	0.29	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	53.1	34.8	175.6	-55	179.5	-49	0	0	113.5	H524 G525	Q478-H524 PolarHBondContact OE1-CD2 3.09Å; Q478-G525 PolarHBondContact O-N 2.68Å
479	F	97.1	Very high	93.7	Very high	8 Å²	8	41.3 Å²	41.3	4%	0.035	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	169.9	163.2	56.1	-84.5	0	0	0	109.5	V444 M472 R476 L477 V481 V490 V491 C721	V444-F479 HydrophobicContact CB-CE2 4.34Å; V444-F479 HydrophobicContact CG1-CE2 3.79Å; V444-F479 HydrophobicContact CG1-CZ 4.01Å; V444-F479 WeakPolarHBondContact O-CZ 3.25Å; M472-F479 HydrophobicContact CE-CE1 3.95Å; M472-F479 HydrophobicContact CE-CZ 3.95Å; M472-F479 HydrophobicContact SD-CE1 4.22Å; M472-F479 HydrophobicContact SD-CE2 4.33Å; M472-F479 HydrophobicContact SD-CZ 3.83Å; R476-F479 HydrophobicContact CB-CD1 4.06Å; R476-F479 HydrophobicContact CB-CE1 4.37Å; R476-F479 HydrophobicContact CG-CB 4.18Å; R476-F479 HydrophobicContact CG-CD1 3.71Å; R476-F479 HydrophobicContact CG-CG 4.25Å; R476-F479 WeakPolarHBondContact O-CE1 3.17Å; L477-F479 PolarHBondContact O-N 2.7Å; L477-F479 VanDerWaalsContact O-N 3.13Å; F479-V481 HydrophobicContact CD2-CG2 3.79Å; F479-V481 HydrophobicContact CE2-CG2 3.62Å; F479-V490 HydrophobicContact CB-CG1 4.26Å; F479-V490 HydrophobicContact CD2-CG1 3.67Å; F479-V490 HydrophobicContact CE2-CG1 4.2Å; F479-V490 HydrophobicContact CG-CG1 4.04Å; F479-V491 WeakPolarHBondContact CA-O 3.48Å; F479-V491 WeakPolarHBondContact CB-O 3.11Å; F479-C721 HydrophobicContact CE2-CB 4.12Å; F479-C721 PolarHBondContact O-SG 2.85Å
480	G	97.3	Very high	93.8	Very high	5 Å²	5	39.6 Å²	39.6	5%	0.052	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	160.1	164.4	0	0	0	0	0	111.3	V491	G480-V491 PolarHBondContact N-O 3.46Å; G480-V491 PolarHBondContact O-N 3.32Å
481	V	97.5	Very high	94.1	Very high	12 Å²	12	38.9 Å²	38.9	7%	0.073	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	136.4	172.2	-179.9	0	0	0	0	110.5	V444 F479 L488 Y489 V490 C721 V723	V444-V481 HydrophobicContact CB-CG2 4.21Å; V444-V481 HydrophobicContact CG1-CG2 4.12Å; V444-V481 HydrophobicContact CG2-CG2 4.4Å; F479-V481 HydrophobicContact CD2-CG2 3.79Å; F479-V481 HydrophobicContact CE2-CG2 3.62Å; V481-L488 HydrophobicContact CG1-CB 4.26Å; V481-L488 HydrophobicContact CG1-CD2 4.39Å; V481-Y489 VanDerWaalsContact CA-O 3.29Å; V481-Y489 WeakPolarHBondContact CA-O 3.28Å; V481-V490 HydrophobicContact CG2-CG2 4.21Å; V481-C721 HydrophobicContact CB-CB 3.69Å; V481-C721 HydrophobicContact CG2-CB 3.41Å; V481-C721 VanDerWaalsContact CG2-CB 3.41Å; V481-V723 HydrophobicContact CB-CG1 4.3Å; V481-V723 HydrophobicContact CG1-CG1 4.17Å; V481-V723 HydrophobicContact CG1-CG2 4.11Å
482	A	96.3	Very high	94.2	Very high	5 Å²	5	35.5 Å²	35.5	4%	0.041	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	162.5	165.9	0	0	0	0	0	110.7	Y489 I528 V530 M535	A482-Y489 PolarHBondContact N-O 2.79Å; A482-Y489 VanDerWaalsContact N-O 3.09Å; A482-Y489 PolarHBondContact O-N 2.96Å; A482-I528 HydrophobicContact CB-CG2 3.55Å; A482-V530 HydrophobicContact CB-CG2 3.77Å; A482-M535 HydrophobicContact CB-CG 3.68Å; A482-M535 HydrophobicContact CB-SD 3.53Å; A482-M535 VanDerWaalsContact CB-SD 3.53Å
483	V	95.7	Very high	94.4	Very high	38 Å²	38	34.9 Å²	34.9	23%	0.23	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	121.7	170.3	-174.8	0	0	0	0	108.7	K487 L488 V723 V725	V483-K487 WeakPolarHBondContact CA-O 3.48Å; V483-L488 HydrophobicContact CG2-CD2 4Å; V483-V723 HydrophobicContact CG2-CB 3.76Å; V483-V723 HydrophobicContact CG2-CG1 4.42Å; V483-V723 HydrophobicContact CG2-CG2 3.67Å; V483-V725 HydrophobicContact CG1-CG2 4.16Å; V483-V725 HydrophobicContact CG2-CG2 4.06Å
484	I	92.7	Very high	94.7	Very high	28 Å²	28	33.6 Å²	33.6	14%	0.144	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	140	167.6	-56.2	163.2	0	0	0	106.9	N486 K487 Y489 V530 M535	I484-N486 PolarHBondContact O-N 2.82Å; I484-K487 PolarHBondContact N-O 2.87Å; I484-K487 PolarHBondContact O-N 3.37Å; I484-Y489 HydrophobicContact CB-CD2 4.19Å; I484-Y489 HydrophobicContact CB-CE2 3.78Å; I484-Y489 HydrophobicContact CD1-CD2 4.41Å; I484-Y489 HydrophobicContact CD1-CE2 4.36Å; I484-Y489 HydrophobicContact CG1-CD2 4.44Å; I484-Y489 HydrophobicContact CG1-CE2 4.42Å; I484-V530 HydrophobicContact CG1-CG2 4.17Å; I484-M535 HydrophobicContact CD1-CE 3.78Å; I484-M535 HydrophobicContact CD1-CG 3.63Å; I484-M535 HydrophobicContact CD1-SD 3.81Å; I484-M535 HydrophobicContact CG1-CG 4.33Å
485	D	90.4	Very high	94.9	Very high	117 Å²	117	36.4 Å²	36.4	63%	0.626	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.6	41.1	178.6	-52.4	-20.7	0	0	0	113.3	K487	D485-K487 HydrophobicContact CB-CD 4.45Å; D485-K487 PolarHBondContact O-N 3.04Å
486	N	92.3	Very high	94.8	Very high	63 Å²	63	33.4 Å²	33.4	34%	0.337	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	24.4	-176.7	-62.5	-35.9	0	0	0	116.1	I484 P508 V725 K726 L727	I484-N486 PolarHBondContact O-N 2.82Å; N486-P508 WeakPolarHBondContact O-CD 3.28Å; N486-P508 WeakPolarHBondContact O-CG 3.48Å; N486-V725 HydrophobicContact CB-CG1 3.83Å; N486-V725 WeakPolarHBondContact O-CG1 3.43Å; N486-K726 PolarHBondContact ND2-O 2.87Å; N486-K726 PolarHBondContact OD1-O 2.91Å; N486-L727 HydrophobicContact CB-CD2 4.04Å
487	K	94.8	Very high	94.4	Very high	60 Å²	60	40.3 Å²	40.3	26%	0.261	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	148.6	175.8	-60.3	148.2	-163.5	157.7	0	110.7	V483 I484 D485 Y489 Y506 N507	V483-K487 WeakPolarHBondContact CA-O 3.48Å; I484-K487 PolarHBondContact N-O 2.87Å; I484-K487 PolarHBondContact O-N 3.37Å; D485-K487 HydrophobicContact CB-CD 4.45Å; D485-K487 PolarHBondContact O-N 3.04Å; K487-Y489 HydrophobicContact CB-CE2 3.97Å; K487-Y506 WeakPolarHBondContact CA-O 3.32Å; K487-Y506 WeakPolarHBondContact CB-O 3.27Å; K487-N507 HydrophobicContact CG-CB 4.26Å
488	L	96.9	Very high	94.4	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	118.5	178.7	-54.8	-178.3	0	0	0	110.1	Y442 V444 I456 V481 V483 C505 Y506 V723 V725	Y442-L488 HydrophobicContact CD1-CD1 3.89Å; Y442-L488 HydrophobicContact CG-CD1 4.44Å; V444-L488 HydrophobicContact CG2-CD1 3.93Å; I456-L488 HydrophobicContact CD1-CD1 4.41Å; I456-L488 HydrophobicContact CG2-CD1 4.29Å; V481-L488 HydrophobicContact CG1-CB 4.26Å; V481-L488 HydrophobicContact CG1-CD2 4.39Å; V483-L488 HydrophobicContact CG2-CD2 4Å; L488-C505 CarbonylContact O-C 3.59Å; L488-C505 WeakPolarHBondContact O-CA 3.27Å; L488-Y506 HydrophobicContact CD1-CD1 4.03Å; L488-Y506 HydrophobicContact CG-CD1 4.42Å; L488-Y506 PolarHBondContact N-O 2.98Å; L488-Y506 PolarHBondContact O-N 3.16Å; L488-V723 HydrophobicContact CD2-CG2 3.68Å; L488-V725 HydrophobicContact CD2-CG2 3.51Å
489	Y	96.8	Very high	94.4	Very high	22 Å²	22	44.3 Å²	44.3	9%	0.086	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	102.6	175.7	-74	-97.2	0	0	0	109.8	V481 A482 I484 K487 V503 C505 M516 M535	V481-Y489 VanDerWaalsContact CA-O 3.29Å; V481-Y489 WeakPolarHBondContact CA-O 3.28Å; A482-Y489 PolarHBondContact N-O 2.79Å; A482-Y489 VanDerWaalsContact N-O 3.09Å; A482-Y489 PolarHBondContact O-N 2.96Å; I484-Y489 HydrophobicContact CB-CD2 4.19Å; I484-Y489 HydrophobicContact CB-CE2 3.78Å; I484-Y489 HydrophobicContact CD1-CD2 4.41Å; I484-Y489 HydrophobicContact CD1-CE2 4.36Å; I484-Y489 HydrophobicContact CG1-CD2 4.44Å; I484-Y489 HydrophobicContact CG1-CE2 4.42Å; K487-Y489 HydrophobicContact CB-CE2 3.97Å; Y489-V503 HydrophobicContact CD1-CG1 4.41Å; Y489-C505 HydrophobicContact CD1-CB 4.07Å; Y489-C505 HydrophobicContact CE1-CB 3.78Å; Y489-M516 HydrophobicContact CD1-CG 4.22Å; Y489-M516 HydrophobicContact CE1-CE 4.06Å; Y489-M516 HydrophobicContact CE1-CG 3.92Å; Y489-M516 HydrophobicContact CE1-SD 4.14Å; Y489-M535 HydrophobicContact CD1-CE 3.97Å; Y489-M535 HydrophobicContact CD1-SD 4.38Å; Y489-M535 HydrophobicContact CG-CE 4.19Å; Y489-M535 HydrophobicContact CG-SD 4Å
490	V	97.4	Very high	94.4	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.006	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	120.2	175.7	-178.7	0	0	0	0	109	V444 F479 V481 V503 E504 W513	V444-V490 HydrophobicContact CG1-CG2 4.47Å; F479-V490 HydrophobicContact CB-CG1 4.26Å; F479-V490 HydrophobicContact CD2-CG1 3.67Å; F479-V490 HydrophobicContact CE2-CG1 4.2Å; F479-V490 HydrophobicContact CG-CG1 4.04Å; V481-V490 HydrophobicContact CG2-CG2 4.21Å; V490-V503 WeakPolarHBondContact O-CA 3.35Å; V490-E504 PolarHBondContact N-O 2.84Å; V490-E504 PolarHBondContact O-N 2.76Å; V490-W513 HydrophobicContact CB-CZ3 4.46Å; V490-W513 HydrophobicContact CG2-CH2 3.81Å; V490-W513 HydrophobicContact CG2-CZ3 3.85Å
491	V	97.8	Very high	94.4	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	126.4	-171.6	-177.7	0	0	0	0	111.5	F479 G480 V503 M519 L526 I528 W560	F479-V491 WeakPolarHBondContact CA-O 3.48Å; F479-V491 WeakPolarHBondContact CB-O 3.11Å; G480-V491 PolarHBondContact N-O 3.46Å; G480-V491 PolarHBondContact O-N 3.32Å; V491-V503 HydrophobicContact CG1-CG2 4.17Å; V491-V503 HydrophobicContact CG2-CG1 4.05Å; V491-V503 HydrophobicContact CG2-CG2 4.37Å; V491-M519 HydrophobicContact CG1-CE 3.6Å; V491-M519 HydrophobicContact CG1-CG 4.27Å; V491-M519 HydrophobicContact CG1-SD 3.4Å; V491-M519 WeakPolarHBondContact CG1-SD 3.36Å; V491-L526 HydrophobicContact CG1-CD1 3.98Å; V491-I528 HydrophobicContact CB-CD1 3.74Å; V491-I528 HydrophobicContact CB-CG1 4.07Å; V491-I528 HydrophobicContact CG1-CD1 3.66Å; V491-I528 HydrophobicContact CG1-CG1 4.4Å; V491-I528 HydrophobicContact CG2-CD1 3.97Å; V491-I528 HydrophobicContact CG2-CG1 4.47Å; V491-W560 HydrophobicContact CG1-CH2 4.35Å; V491-W560 HydrophobicContact CG1-CZ2 4.47Å
492	G	97.3	Very high	94.4	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	68.6	-128.2	171.4	0	0	0	0	0	113.8	R476 S500 M502 R523	R476-G492 VanDerWaalsContact CD-O 3.29Å; R476-G492 WeakPolarHBondContact CD-O 3.43Å; G492-S500 WeakPolarHBondContact CA-O 3.31Å; G492-M502 PolarHBondContact N-O 3.24Å; G492-R523 CarbonylContact C-O 3.55Å; G492-R523 WeakPolarHBondContact CA-O 3.43Å
493	G	96.4	Very high	94.4	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	81.8	-171.6	-176.6	0	0	0	0	0	114.1	L477 S500 R523	L477-G493 CarbonylContact O-C 3.56Å; L477-G493 VanDerWaalsContact O-CA 3.31Å; L477-G493 WeakPolarHBondContact O-CA 3.47Å; G493-S500 WeakPolarHBondContact O-CB 3.47Å; G493-S500 PolarHBondContact O-N 2.82Å; G493-R523 PolarHBondContact N-O 3.13Å
494	R	94.5	Very high	94.4	Very high	76 Å²	76	49.3 Å²	49.3	29%	0.287	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	155.8	174.7	65.1	177.1	-175.2	-163.2	8	112.5	R476 L477 K498 H524	R476-R494 WeakPolarHBondContact CA-O 3.26Å; L477-R494 HydrophobicContact CB-CG 4.4Å; L477-R494 PolarHBondContact N-O 2.83Å; L477-R494 PolarHBondContact O-N 2.77Å; R494-K498 CarbonylContact C-O 3.57Å; R494-K498 WeakPolarHBondContact CA-O 3.37Å; R494-K498 WeakPolarHBondContact CB-O 3.5Å; R494-H524 HydrophobicContact CB-CB 3.87Å; R494-H524 HydrophobicContact CG-CB 4.06Å; R494-H524 PolarHBondContact NH1-NE2 2.92Å
495	D	90.7	Very high	94.6	Very high	96 Å²	96	48.5 Å²	48.5	51%	0.513	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	122.8	162.7	-175.7	25.1	0	0	0	108.9	L497 K498	D495-L497 PolarHBondContact O-N 2.77Å; D495-L497 VanDerWaalsContact O-N 3.14Å; D495-K498 PolarHBondContact N-O 2.68Å; D495-K498 WeakPolarHBondContact O-CB 3.36Å; D495-K498 PolarHBondContact O-N 2.84Å
496	G	86.7	Confident	94.9	Very high	52 Å²	52	43.1 Å²	43.1	54%	0.536	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	-118	-165.6	0	0	0	0	0	112.4
497	L	86.1	Confident	95	Very high	178 Å²	178	42.3 Å²	42.3	93%	0.932	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-8.5	175.8	-59.5	178.5	0	0	0	113.8	D495 T499	D495-L497 PolarHBondContact O-N 2.77Å; D495-L497 VanDerWaalsContact O-N 3.14Å; L497-T499 PolarHBondContact O-N 2.9Å
498	K	92.8	Very high	94.9	Very high	159 Å²	159	40 Å²	40	69%	0.691	21%	0.211	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-87.8	104.7	-174.7	-176.5	-176.4	176.9	-174.7	0	110.6	R494 D495	R494-K498 CarbonylContact C-O 3.57Å; R494-K498 WeakPolarHBondContact CA-O 3.37Å; R494-K498 WeakPolarHBondContact CB-O 3.5Å; D495-K498 PolarHBondContact N-O 2.68Å; D495-K498 WeakPolarHBondContact O-CB 3.36Å; D495-K498 PolarHBondContact O-N 2.84Å
499	T	96.2	Very high	94.6	Very high	10 Å²	10	45 Å²	45	6%	0.061	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	151.6	164.7	-45.7	0	0	0	0	110.7	L497 H522 R523 H524 D542	L497-T499 PolarHBondContact O-N 2.9Å; T499-H522 HydrophobicContact CG2-CB 3.82Å; T499-H522 PolarHBondContact O-CD2 2.98Å; T499-R523 VanDerWaalsContact CG2-C 3.48Å; T499-R523 VanDerWaalsContact CG2-N 3.3Å; T499-H524 HydrophobicContact CG2-CB 4.07Å; T499-H524 PolarHBondContact OG1-ND1 2.76Å; T499-D542 WeakPolarHBondContact CB-O 3.46Å; T499-D542 WeakPolarHBondContact CG2-O 3.31Å; T499-D542 PolarHBondContact OG1-O 2.6Å
500	S	96.2	Very high	94.5	Very high	17 Å²	17	47 Å²	47	12%	0.119	26%	0.258	C	S	.	.			trans	-120.4	147.9	178.4	-178	0	0	0	0	111.8	G492 G493 M502 R523	G492-S500 WeakPolarHBondContact CA-O 3.31Å; G493-S500 WeakPolarHBondContact O-CB 3.47Å; G493-S500 PolarHBondContact O-N 2.82Å; S500-M502 WeakPolarHBondContact OG-CB 3.38Å; S500-M502 PolarHBondContact OG-N 2.97Å; S500-R523 PolarHBondContact O-N 2.81Å
501	N	97.1	Very high	94.2	Very high	31 Å²	31	53.5 Å²	53.5	17%	0.166	29%	0.286	C	S	.	.			trans	-106.2	-0.8	163.6	70.1	-23.8	0	0	0	112.9	P518 M519 T521 H522	N501-P518 WeakPolarHBondContact O-CA 3.33Å; N501-P518 WeakPolarHBondContact O-CB 3.34Å; N501-M519 HydrophobicContact CB-CB 4.3Å; N501-M519 WeakPolarHBondContact CB-O 3.34Å; N501-M519 PolarHBondContact ND2-O 3.35Å; N501-M519 PolarHBondContact O-N 3.06Å; N501-T521 WeakPolarHBondContact CB-O 3.29Å; N501-H522 HydrophobicContact CB-CB 4.39Å
502	M	96.9	Very high	94.1	Very high	100 Å²	100	57.2 Å²	57.2	49%	0.493	31%	0.309	S	S	.	.			trans	-66.5	152.1	-173.2	-65.7	179.2	163.8	0	0	112.4	G492 S500	G492-M502 PolarHBondContact N-O 3.24Å; S500-M502 WeakPolarHBondContact OG-CB 3.38Å; S500-M502 PolarHBondContact OG-N 2.97Å
503	V	97	Very high	94	Very high	2 Å²	2	59.3 Å²	59.3	1%	0.012	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	130.1	173.6	-175.9	0	0	0	0	108.5	Y489 V490 V491 M516 M519 W560	Y489-V503 HydrophobicContact CD1-CG1 4.41Å; V490-V503 WeakPolarHBondContact O-CA 3.35Å; V491-V503 HydrophobicContact CG1-CG2 4.17Å; V491-V503 HydrophobicContact CG2-CG1 4.05Å; V491-V503 HydrophobicContact CG2-CG2 4.37Å; V503-M516 HydrophobicContact CB-CB 3.9Å; V503-M516 HydrophobicContact CG1-CB 3.74Å; V503-M516 HydrophobicContact CG1-CG 4.28Å; V503-M516 PolarHBondContact O-N 3.38Å; V503-M519 HydrophobicContact CG2-CG 4.4Å; V503-W560 HydrophobicContact CG2-CZ2 3.83Å
504	E	96.3	Very high	94	Very high	23 Å²	23	62.3 Å²	62.3	11%	0.107	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	131.4	179.4	-76.3	169.3	101.2	0	0	110.2	N473 R476 V490 W513	N473-E504 PolarHBondContact ND2-OE1 3.16Å; R476-E504 IonicContact CZ-OE2 3.11Å; R476-E504 IonicContact NH1-OE2 2.7Å; R476-E504 PolarHBondContact NH1-OE2 2.85Å; R476-E504 IonicContact NH2-OE2 2.67Å; R476-E504 PolarHBondContact NH2-OE2 3.44Å; V490-E504 PolarHBondContact N-O 2.84Å; V490-E504 PolarHBondContact O-N 2.76Å; E504-W513 HydrophobicContact CB-CE3 3.87Å; E504-W513 HydrophobicContact CB-CZ3 3.92Å
505	C	95.9	Very high	94.1	Very high	11 Å²	11	64.4 Å²	64.4	7%	0.074	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	124.7	177.4	172.2	0	0	0	0	109.5	L488 Y489 W513 S514 M516	L488-C505 CarbonylContact O-C 3.59Å; L488-C505 WeakPolarHBondContact O-CA 3.27Å; Y489-C505 HydrophobicContact CD1-CB 4.07Å; Y489-C505 HydrophobicContact CE1-CB 3.78Å; C505-W513 CarbonylContact O-C 3.59Å; C505-W513 WeakPolarHBondContact O-CA 3.44Å; C505-S514 PolarHBondContact N-O 3.11Å; C505-S514 PolarHBondContact O-N 3.14Å; C505-M516 HydrophobicContact CB-CG 3.79Å; C505-M516 HydrophobicContact CB-SD 4.17Å
506	Y	96.4	Very high	94.3	Very high	4 Å²	4	61.3 Å²	61.3	2%	0.016	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	124	169	176.3	-107.6	0	0	0	110.3	I456 V469 K487 L488 P508 K511 W513	I456-Y506 HydrophobicContact CD1-CD1 4.2Å; I456-Y506 HydrophobicContact CD1-CE1 4.31Å; V469-Y506 PolarHBondContact O-OH 2.8Å; K487-Y506 WeakPolarHBondContact CA-O 3.32Å; K487-Y506 WeakPolarHBondContact CB-O 3.27Å; L488-Y506 HydrophobicContact CD1-CD1 4.03Å; L488-Y506 HydrophobicContact CG-CD1 4.42Å; L488-Y506 PolarHBondContact N-O 2.98Å; L488-Y506 PolarHBondContact O-N 3.16Å; Y506-P508 HydrophobicContact CD1-CB 4.33Å; Y506-P508 HydrophobicContact CE1-CB 3.9Å; Y506-P508 WeakPolarHBondContact O-CD 3.45Å; Y506-K511 HydrophobicContact CE2-CB 4.41Å; Y506-W513 AromaticContact CD2-CD1 3.95Å; Y506-W513 AromaticContact CD2-CD2 3.9Å; Y506-W513 HydrophobicContact CD2-CD2 3.9Å; Y506-W513 AromaticContact CD2-CE2 3.57Å; Y506-W513 HydrophobicContact CD2-CG 4.11Å; Y506-W513 AromaticContact CD2-CZ2 3.99Å; Y506-W513 HydrophobicContact CD2-CZ2 3.99Å; Y506-W513 AromaticContact CD2-NE1 3.62Å; Y506-W513 HydrophobicContact CG-CD2 4.33Å; Y506-W513 HydrophobicContact CG-CH2 4.37Å; Y506-W513 HydrophobicContact CG-CZ2 4.06Å
507	N	94.9	Very high	94.8	Very high	46 Å²	46	60.9 Å²	60.9	25%	0.246	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	110.9	169.2	-179.2	-9.1	0	0	0	109.1	K487 V509 S510 K511 V512	K487-N507 HydrophobicContact CG-CB 4.26Å; N507-V509 VanDerWaalsContact C-N 3.26Å; N507-V509 PolarHBondContact O-N 2.91Å; N507-V509 WeakPolarHBondContact OD1-CB 3.47Å; N507-V509 PolarHBondContact OD1-N 2.72Å; N507-S510 WeakPolarHBondContact CB-OG 3.47Å; N507-S510 PolarHBondContact ND2-OG 3.05Å; N507-S510 VanDerWaalsContact ND2-OG 3.13Å; N507-S510 PolarHBondContact OD1-N 2.75Å; N507-K511 WeakPolarHBondContact O-CA 3.38Å; N507-K511 PolarHBondContact O-N 2.85Å; N507-V512 PolarHBondContact N-O 2.63Å; N507-V512 PolarHBondContact O-N 2.72Å
508	P	92.4	Very high	95.3	Very high	12 Å²	12	55.7 Å²	55.7	8%	0.078	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-20.1	-178.6	30.2	-37.4	0	0	0	114	Y442 N486 Y506 V725 L727	Y442-P508 HydrophobicContact CE1-CB 4.13Å; N486-P508 WeakPolarHBondContact O-CD 3.28Å; N486-P508 WeakPolarHBondContact O-CG 3.48Å; Y506-P508 HydrophobicContact CD1-CB 4.33Å; Y506-P508 HydrophobicContact CE1-CB 3.9Å; Y506-P508 WeakPolarHBondContact O-CD 3.45Å; P508-V725 HydrophobicContact CG-CG1 4.45Å; P508-L727 HydrophobicContact CB-CD1 4.33Å; P508-L727 HydrophobicContact CG-CD1 4.23Å; P508-L727 HydrophobicContact CG-CD2 3.88Å
509	V	91.4	Very high	95.5	Very high	104 Å²	104	48.2 Å²	48.2	63%	0.63	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-54.2	178.1	-175.4	0	0	0	0	110.3	N507 K511 L727	N507-V509 VanDerWaalsContact C-N 3.26Å; N507-V509 PolarHBondContact O-N 2.91Å; N507-V509 WeakPolarHBondContact OD1-CB 3.47Å; N507-V509 PolarHBondContact OD1-N 2.72Å; V509-K511 VanDerWaalsContact C-N 3.32Å; V509-L727 HydrophobicContact CG2-CD1 4.44Å; V509-L727 HydrophobicContact CG2-CD2 3.83Å
510	S	93.3	Very high	95.6	Very high	64 Å²	64	51.1 Å²	51.1	45%	0.448	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-9.2	178.8	70.3	0	0	0	0	113.9	N507 V512	N507-S510 WeakPolarHBondContact CB-OG 3.47Å; N507-S510 PolarHBondContact ND2-OG 3.05Å; N507-S510 VanDerWaalsContact ND2-OG 3.13Å; N507-S510 PolarHBondContact OD1-N 2.75Å; S510-V512 PolarHBondContact O-N 2.83Å
511	K	92.7	Very high	95.6	Very high	139 Å²	139	51.3 Å²	51.3	60%	0.604	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	22.8	-175.1	-53.7	-177.2	-176.9	178.9	0	114.3	Y506 N507 V509	Y506-K511 HydrophobicContact CE2-CB 4.41Å; N507-K511 WeakPolarHBondContact O-CA 3.38Å; N507-K511 PolarHBondContact O-N 2.85Å; V509-K511 VanDerWaalsContact C-N 3.32Å
512	V	94.5	Very high	95.7	Very high	78 Å²	78	53.8 Å²	53.8	47%	0.473	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	137.2	-178.1	171.7	0	0	0	0	111.3	N507 S510	N507-V512 PolarHBondContact N-O 2.63Å; N507-V512 PolarHBondContact O-N 2.72Å; S510-V512 PolarHBondContact O-N 2.83Å
513	W	96.6	Very high	95.7	Very high	43 Å²	43	49 Å²	49	16%	0.163	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	150.8	167.1	-73.6	99.3	0	0	0	111.8	I456 V471 M472 V490 E504 C505 Y506	I456-W513 HydrophobicContact CD1-CH2 4.29Å; I456-W513 HydrophobicContact CD1-CZ2 3.88Å; V471-W513 PolarHBondContact O-NE1 2.86Å; M472-W513 HydrophobicContact CB-CH2 4.49Å; M472-W513 HydrophobicContact CB-CZ2 4.21Å; M472-W513 HydrophobicContact CG-CH2 4.01Å; M472-W513 HydrophobicContact CG-CZ2 3.98Å; V490-W513 HydrophobicContact CB-CZ3 4.46Å; V490-W513 HydrophobicContact CG2-CH2 3.81Å; V490-W513 HydrophobicContact CG2-CZ3 3.85Å; E504-W513 HydrophobicContact CB-CE3 3.87Å; E504-W513 HydrophobicContact CB-CZ3 3.92Å; C505-W513 CarbonylContact O-C 3.59Å; C505-W513 WeakPolarHBondContact O-CA 3.44Å; Y506-W513 AromaticContact CD2-CD1 3.95Å; Y506-W513 AromaticContact CD2-CD2 3.9Å; Y506-W513 HydrophobicContact CD2-CD2 3.9Å; Y506-W513 AromaticContact CD2-CE2 3.57Å; Y506-W513 HydrophobicContact CD2-CG 4.11Å; Y506-W513 AromaticContact CD2-CZ2 3.99Å; Y506-W513 HydrophobicContact CD2-CZ2 3.99Å; Y506-W513 AromaticContact CD2-NE1 3.62Å; Y506-W513 HydrophobicContact CG-CD2 4.33Å; Y506-W513 HydrophobicContact CG-CH2 4.37Å; Y506-W513 HydrophobicContact CG-CZ2 4.06Å
514	S	95.6	Very high	95.7	Very high	63 Å²	63	49.9 Å²	49.9	44%	0.441	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	128.8	176.1	-66.4	0	0	0	0	111.2	C505	C505-S514 PolarHBondContact N-O 3.11Å; C505-S514 PolarHBondContact O-N 3.14Å
515	T	95.9	Very high	95.7	Very high	121 Å²	121	49 Å²	49	74%	0.742	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.2	129.8	176	-47.2	0	0	0	0	110.4
516	M	95.5	Very high	95.8	Very high	30 Å²	30	49.1 Å²	49.1	15%	0.148	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	161.2	175	-64	-63	-59.3	0	0	110.2	Y489 V503 C505 W553	Y489-M516 HydrophobicContact CD1-CG 4.22Å; Y489-M516 HydrophobicContact CE1-CE 4.06Å; Y489-M516 HydrophobicContact CE1-CG 3.92Å; Y489-M516 HydrophobicContact CE1-SD 4.14Å; V503-M516 HydrophobicContact CB-CB 3.9Å; V503-M516 HydrophobicContact CG1-CB 3.74Å; V503-M516 HydrophobicContact CG1-CG 4.28Å; V503-M516 PolarHBondContact O-N 3.38Å; C505-M516 HydrophobicContact CB-CG 3.79Å; C505-M516 HydrophobicContact CB-SD 4.17Å; M516-W553 HydrophobicContact CE-CH2 4.24Å; M516-W553 HydrophobicContact CE-CZ2 3.84Å
517	P	96.4	Very high	95.9	Very high	44 Å²	44	49.2 Å²	49.2	29%	0.286	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-56.8	130.8	175.6	-26.4	37.2	0	0	0	111.6	W553 W560	P517-W553 HydrophobicContact CB-CH2 4.16Å; P517-W553 HydrophobicContact CB-CZ3 4Å; P517-W553 HydrophobicContact CG-CH2 3.84Å; P517-W553 HydrophobicContact CG-CZ3 4.2Å; P517-W560 PolarHBondContact O-NE1 3.09Å
518	P	97.4	Very high	96	Very high	68 Å²	68	48 Å²	48	44%	0.442	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-75.4	162.1	-173.5	32.9	-37.4	0	0	0	112	N501	N501-P518 WeakPolarHBondContact O-CA 3.33Å; N501-P518 WeakPolarHBondContact O-CB 3.34Å
519	M	97.9	Very high	96.3	Very high	3 Å²	3	47.9 Å²	47.9	2%	0.015	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-65.8	157.9	168.8	-63.6	178.1	-64	0	0	111.2	V491 N501 V503 T521 R523 L526 A537 W560	V491-M519 HydrophobicContact CG1-CE 3.6Å; V491-M519 HydrophobicContact CG1-CG 4.27Å; V491-M519 HydrophobicContact CG1-SD 3.4Å; V491-M519 WeakPolarHBondContact CG1-SD 3.36Å; N501-M519 HydrophobicContact CB-CB 4.3Å; N501-M519 WeakPolarHBondContact CB-O 3.34Å; N501-M519 PolarHBondContact ND2-O 3.35Å; N501-M519 PolarHBondContact O-N 3.06Å; V503-M519 HydrophobicContact CG2-CG 4.4Å; M519-T521 WeakPolarHBondContact CB-O 3.37Å; M519-R523 HydrophobicContact CE-CB 4.04Å; M519-R523 HydrophobicContact CE-CG 4.23Å; M519-L526 HydrophobicContact CE-CD1 4.28Å; M519-L526 HydrophobicContact SD-CD1 4.25Å; M519-A537 HydrophobicContact SD-CB 3.55Å; M519-A537 VanDerWaalsContact SD-CB 3.55Å; M519-W560 HydrophobicContact CG-CD2 3.87Å; M519-W560 HydrophobicContact CG-CE3 4.2Å; M519-W560 HydrophobicContact CG-CG 4.3Å; M519-W560 HydrophobicContact CG-CH2 4.37Å; M519-W560 HydrophobicContact CG-CZ2 4.06Å; M519-W560 HydrophobicContact CG-CZ3 4.44Å
520	S	96.9	Very high	96.5	Very high	70 Å²	70	45.3 Å²	45.3	49%	0.49	26%	0.263	S	S	.	.	S	Bend	trans	-68.6	-42.9	171.7	-52.9	0	0	0	0	111.1	E551 Y562	S520-E551 WeakPolarHBondContact CA-OE2 3.24Å; S520-E551 VanDerWaalsContact CB-OE2 3.23Å; S520-E551 WeakPolarHBondContact CB-OE2 3.41Å; S520-E551 PolarHBondContact N-OE2 2.85Å; S520-E551 PolarHBondContact OG-OE2 3.17Å; S520-Y562 WeakPolarHBondContact CB-OH 3.27Å
521	T	97.4	Very high	96.6	Very high	22 Å²	22	42.7 Å²	42.7	14%	0.135	25%	0.245	C	C	.	.	S	Bend	trans	-95.1	142.2	177.9	-33.2	0	0	0	0	110.8	N501 M519 R523 D542 L547 E551 Y562	N501-T521 WeakPolarHBondContact CB-O 3.29Å; M519-T521 WeakPolarHBondContact CB-O 3.37Å; T521-R523 HydrophobicContact CG2-CG 4.47Å; T521-R523 PolarHBondContact OG1-NH2 3.01Å; T521-D542 HydrophobicContact CG2-CB 4.37Å; T521-L547 HydrophobicContact CG2-CD1 3.89Å; T521-L547 HydrophobicContact CG2-CD2 4.38Å; T521-E551 WeakPolarHBondContact CB-OE1 3.47Å; T521-E551 PolarHBondContact N-OE1 3.06Å; T521-E551 VanDerWaalsContact N-OE1 3.09Å; T521-E551 PolarHBondContact OG1-OE1 2.85Å; T521-Y562 PolarHBondContact OG1-OH 2.7Å; T521-Y562 VanDerWaalsContact OG1-OH 3.11Å
522	H	98.1	Very high	96.5	Very high	83 Å²	83	42.2 Å²	42.2	38%	0.384	25%	0.245	S	C	.	.			trans	-73.7	134.6	164	-66.9	62	0	0	0	108.3	T499 N501 D542	T499-H522 HydrophobicContact CG2-CB 3.82Å; T499-H522 PolarHBondContact O-CD2 2.98Å; N501-H522 HydrophobicContact CB-CB 4.39Å; H522-D542 VanDerWaalsContact O-CA 3.27Å; H522-D542 WeakPolarHBondContact O-CA 3.48Å; H522-D542 WeakPolarHBondContact O-CB 3.29Å
523	R	98.1	Very high	96.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	24%	0.241	C	C	.	.			trans	-144.9	122	-172.9	-59.9	179.9	-178.4	-93.3	-4.4	112.3	G492 G493 T499 S500 M519 T521 L526 G539 L547 T549 E551	G492-R523 CarbonylContact C-O 3.55Å; G492-R523 WeakPolarHBondContact CA-O 3.43Å; G493-R523 PolarHBondContact N-O 3.13Å; T499-R523 VanDerWaalsContact CG2-C 3.48Å; T499-R523 VanDerWaalsContact CG2-N 3.3Å; S500-R523 PolarHBondContact O-N 2.81Å; M519-R523 HydrophobicContact CE-CB 4.04Å; M519-R523 HydrophobicContact CE-CG 4.23Å; T521-R523 HydrophobicContact CG2-CG 4.47Å; T521-R523 PolarHBondContact OG1-NH2 3.01Å; R523-L526 HydrophobicContact CB-CB 4.17Å; R523-L526 HydrophobicContact CB-CD1 3.99Å; R523-L526 HydrophobicContact CB-CD2 4.49Å; R523-L526 HydrophobicContact CB-CG 4.45Å; R523-G539 PolarHBondContact NH1-O 3.28Å; R523-L547 HydrophobicContact CG-CD1 3.84Å; R523-T549 PolarHBondContact NH1-O 2.81Å; R523-T549 PolarHBondContact NH1-OG1 2.86Å; R523-T549 PolarHBondContact NH2-OG1 3.18Å; R523-E551 IonicContact CZ-OE1 3.32Å; R523-E551 VanDerWaalsContact CZ-OE1 3.32Å; R523-E551 IonicContact NE-OE1 3.02Å; R523-E551 PolarHBondContact NE-OE1 3.12Å; R523-E551 IonicContact NH2-OE1 2.76Å; R523-E551 PolarHBondContact NH2-OE1 2.98Å
524	H	97.3	Very high	96.1	Very high	19 Å²	19	38.9 Å²	38.9	9%	0.088	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-121	151.9	163.1	72.3	-101.2	0	0	0	111.2	Q478 R494 T499 L526 G540 H541	Q478-H524 PolarHBondContact OE1-CD2 3.09Å; R494-H524 HydrophobicContact CB-CB 3.87Å; R494-H524 HydrophobicContact CG-CB 4.06Å; R494-H524 PolarHBondContact NH1-NE2 2.92Å; T499-H524 HydrophobicContact CG2-CB 4.07Å; T499-H524 PolarHBondContact OG1-ND1 2.76Å; H524-L526 PolarHBondContact O-N 3.19Å; H524-G540 CarbonylContact O-C 3.54Å; H524-G540 VanDerWaalsContact O-CA 3.31Å; H524-G540 WeakPolarHBondContact O-CA 3.47Å; H524-H541 AromaticContact CE1-ND1 3.62Å; H524-H541 PolarHBondContact N-O 3.38Å; H524-H541 PolarHBondContact ND1-O 2.88Å; H524-H541 PolarHBondContact O-N 2.87Å
525	G	96.1	Very high	96.1	Very high	6 Å²	6	36 Å²	36	6%	0.062	22%	0.216	C	C	.	.	S	Bend	trans	65.4	21.3	-172.1	0	0	0	0	0	113.5	Q478 S571 T572	Q478-G525 PolarHBondContact O-N 2.68Å; G525-S571 CarbonylContact O-C 3.42Å; G525-S571 WeakPolarHBondContact O-CA 3.42Å; G525-T572 PolarHBondContact O-N 2.82Å
526	L	98.1	Very high	96.2	Very high	12 Å²	12	30.6 Å²	30.6	6%	0.063	18%	0.182	C	C	.	.			trans	-72.1	156	172.7	72.4	171.9	0	0	0	111.7	V491 M519 R523 H524 I528 A537	V491-L526 HydrophobicContact CG1-CD1 3.98Å; M519-L526 HydrophobicContact CE-CD1 4.28Å; M519-L526 HydrophobicContact SD-CD1 4.25Å; R523-L526 HydrophobicContact CB-CB 4.17Å; R523-L526 HydrophobicContact CB-CD1 3.99Å; R523-L526 HydrophobicContact CB-CD2 4.49Å; R523-L526 HydrophobicContact CB-CG 4.45Å; H524-L526 PolarHBondContact O-N 3.19Å; L526-I528 HydrophobicContact CD1-CD1 3.91Å; L526-I528 HydrophobicContact CD1-CG1 4Å; L526-I528 HydrophobicContact CG-CG1 4.22Å; L526-A537 HydrophobicContact CD1-CB 4.07Å
527	G	97.6	Very high	96.3	Very high	6 Å²	6	29.2 Å²	29.2	6%	0.062	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	148.7	160.7	0	0	0	0	0	111.2	V538	G527-V538 PolarHBondContact N-O 3.01Å; G527-V538 PolarHBondContact O-N 3.39Å
528	I	97.7	Very high	96.4	Very high	20 Å²	20	27.1 Å²	27.1	10%	0.103	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	132.8	174.9	-73	-72.5	0	0	0	108.5	A482 V491 L526 Y536 A537	A482-I528 HydrophobicContact CB-CG2 3.55Å; V491-I528 HydrophobicContact CB-CD1 3.74Å; V491-I528 HydrophobicContact CB-CG1 4.07Å; V491-I528 HydrophobicContact CG1-CD1 3.66Å; V491-I528 HydrophobicContact CG1-CG1 4.4Å; V491-I528 HydrophobicContact CG2-CD1 3.97Å; V491-I528 HydrophobicContact CG2-CG1 4.47Å; L526-I528 HydrophobicContact CD1-CD1 3.91Å; L526-I528 HydrophobicContact CD1-CG1 4Å; L526-I528 HydrophobicContact CG-CG1 4.22Å; I528-Y536 WeakPolarHBondContact CA-O 3.25Å; I528-A537 HydrophobicContact CD1-CB 3.77Å
529	A	97.1	Very high	96.5	Very high	10 Å²	10	23.9 Å²	23.9	8%	0.083	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	155.9	170.8	0	0	0	0	0	110.8	M535 Y536 V575 L582	A529-M535 CarbonylContact O-C 3.58Å; A529-M535 WeakPolarHBondContact O-CA 3.39Å; A529-Y536 PolarHBondContact N-O 3.39Å; A529-Y536 PolarHBondContact O-N 3.07Å; A529-V575 HydrophobicContact CB-CG1 3.91Å; A529-L582 HydrophobicContact CB-CD2 3.83Å
530	V	95.9	Very high	96.5	Very high	50 Å²	50	23.7 Å²	23.7	30%	0.303	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	131.1	168.6	177.6	0	0	0	0	108.1	A482 I484 P534 M535 A577	A482-V530 HydrophobicContact CB-CG2 3.77Å; I484-V530 HydrophobicContact CG1-CG2 4.17Å; V530-P534 WeakPolarHBondContact CA-O 3.33Å; V530-M535 HydrophobicContact CG2-CG 3.92Å; V530-A577 WeakPolarHBondContact O-CB 3.31Å
531	L	95.5	Very high	96.5	Very high	10 Å²	10	21.8 Å²	21.8	5%	0.052	12%	0.123	C	C	.	.	S	Bend	trans	-134.1	119.5	171.8	171.8	64.1	0	0	0	108.4	G533 P534 Y536 A577 L582 P602	L531-G533 PolarHBondContact O-N 2.79Å; L531-G533 VanDerWaalsContact O-N 3.11Å; L531-P534 PolarHBondContact N-O 2.88Å; L531-P534 WeakPolarHBondContact O-CD 3.44Å; L531-Y536 HydrophobicContact CB-CD2 4.29Å; L531-Y536 HydrophobicContact CB-CE2 3.91Å; L531-A577 HydrophobicContact CB-CB 4.27Å; L531-A577 HydrophobicContact CD1-CB 4.23Å; L531-L582 HydrophobicContact CB-CD2 3.68Å; L531-L582 HydrophobicContact CB-CG 4.28Å; L531-L582 HydrophobicContact CD2-CD2 4.07Å; L531-L582 HydrophobicContact CD2-CG 3.84Å; L531-L582 HydrophobicContact CG-CD2 4.46Å; L531-P602 HydrophobicContact CD2-CG 3.96Å
532	E	90.1	Very high	96.4	Very high	129 Å²	129	23 Å²	23	60%	0.603	13%	0.129	S	C	*	.	S	Bend	trans	57.3	25.3	176.2	-65.5	163.9	-173.2	0	0	114.2	P534	E532-P534 WeakPolarHBondContact O-CD 3.4Å
533	G	89.4	Confident	96.2	Very high	38 Å²	38	20.9 Å²	20.9	39%	0.392	13%	0.13	S	C	.	.	S	Bend	trans	112.5	-55.5	178.4	0	0	0	0	0	114	L531	L531-G533 PolarHBondContact O-N 2.79Å; L531-G533 VanDerWaalsContact O-N 3.11Å
534	P	93.3	Very high	95.9	Very high	12 Å²	12	32.7 Å²	32.7	8%	0.078	18%	0.175	C	C	.	.			trans	-55.9	141.9	172.5	-30.5	37.1	0	0	0	115	V530 L531 E532 Y536 R552 W553	V530-P534 WeakPolarHBondContact CA-O 3.33Å; L531-P534 PolarHBondContact N-O 2.88Å; L531-P534 WeakPolarHBondContact O-CD 3.44Å; E532-P534 WeakPolarHBondContact O-CD 3.4Å; P534-Y536 HydrophobicContact CB-CD2 4.45Å; P534-Y536 HydrophobicContact CB-CE2 3.78Å; P534-R552 HydrophobicContact CB-CG 3.9Å; P534-W553 WeakPolarHBondContact CB-O 3.47Å
535	M	96.2	Very high	95.8	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.01	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	149.8	162.5	-70.7	175.3	-65.5	0	0	110.6	A482 I484 Y489 A529 V530 R552 W553 W560	A482-M535 HydrophobicContact CB-CG 3.68Å; A482-M535 HydrophobicContact CB-SD 3.53Å; A482-M535 VanDerWaalsContact CB-SD 3.53Å; I484-M535 HydrophobicContact CD1-CE 3.78Å; I484-M535 HydrophobicContact CD1-CG 3.63Å; I484-M535 HydrophobicContact CD1-SD 3.81Å; I484-M535 HydrophobicContact CG1-CG 4.33Å; Y489-M535 HydrophobicContact CD1-CE 3.97Å; Y489-M535 HydrophobicContact CD1-SD 4.38Å; Y489-M535 HydrophobicContact CG-CE 4.19Å; Y489-M535 HydrophobicContact CG-SD 4Å; A529-M535 CarbonylContact O-C 3.58Å; A529-M535 WeakPolarHBondContact O-CA 3.39Å; V530-M535 HydrophobicContact CG2-CG 3.92Å; M535-R552 CarbonylContact O-C 3.55Å; M535-R552 WeakPolarHBondContact O-CA 3.39Å; M535-W553 HydrophobicContact CB-CB 3.98Å; M535-W553 HydrophobicContact CE-CB 4Å; M535-W553 HydrophobicContact CE-CD2 4.37Å; M535-W553 HydrophobicContact CE-CG 3.69Å; M535-W553 PolarHBondContact O-N 2.78Å; M535-W560 HydrophobicContact CB-CH2 4.25Å; M535-W560 HydrophobicContact CE-CH2 4.38Å; M535-W560 HydrophobicContact CE-CZ2 4.33Å
536	Y	98.3	Very high	95.9	Very high	9 Å²	9	37.7 Å²	37.7	4%	0.035	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	121.9	173.5	-65	-104.5	0	0	0	110.3	I528 A529 L531 P534 E551 R552 V563 L582 F600	I528-Y536 WeakPolarHBondContact CA-O 3.25Å; A529-Y536 PolarHBondContact N-O 3.39Å; A529-Y536 PolarHBondContact O-N 3.07Å; L531-Y536 HydrophobicContact CB-CD2 4.29Å; L531-Y536 HydrophobicContact CB-CE2 3.91Å; P534-Y536 HydrophobicContact CB-CD2 4.45Å; P534-Y536 HydrophobicContact CB-CE2 3.78Å; Y536-E551 CarbonylContact C-O 3.57Å; Y536-E551 WeakPolarHBondContact CA-O 3.44Å; Y536-R552 HydrophobicContact CD1-CB 3.86Å; Y536-R552 HydrophobicContact CD1-CG 4.06Å; Y536-R552 HydrophobicContact CE1-CB 3.8Å; Y536-R552 HydrophobicContact CE1-CG 3.65Å; Y536-R552 HydrophobicContact CE2-CG 4.33Å; Y536-R552 PolarHBondContact OH-NE 3.19Å; Y536-V563 HydrophobicContact CD1-CG2 4.42Å; Y536-V563 HydrophobicContact CE1-CG1 4.49Å; Y536-L582 HydrophobicContact CD1-CD1 3.8Å; Y536-L582 HydrophobicContact CD2-CD1 3.85Å; Y536-L582 HydrophobicContact CE1-CD1 4.41Å; Y536-L582 HydrophobicContact CE2-CD1 4.47Å; Y536-L582 HydrophobicContact CG-CD1 3.48Å; Y536-L582 VanDerWaalsContact CG-CD1 3.48Å; Y536-F600 AromaticContact CE1-CE1 3.86Å; Y536-F600 HydrophobicContact CE1-CE1 3.86Å
537	A	98.4	Very high	95.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	106.6	172.6	0	0	0	0	0	109.3	M519 L526 I528 V550 E551 W560	M519-A537 HydrophobicContact SD-CB 3.55Å; M519-A537 VanDerWaalsContact SD-CB 3.55Å; L526-A537 HydrophobicContact CD1-CB 4.07Å; I528-A537 HydrophobicContact CD1-CB 3.77Å; A537-V550 WeakPolarHBondContact O-CA 3.45Å; A537-E551 HydrophobicContact CB-CB 4.48Å; A537-E551 PolarHBondContact N-O 2.9Å; A537-E551 PolarHBondContact O-N 2.84Å; A537-W560 HydrophobicContact CB-CH2 4.33Å; A537-W560 HydrophobicContact CB-CZ3 3.86Å
538	V	98.6	Very high	95.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	117.9	-169.3	178.8	0	0	0	0	110.2	G527 V550 M566 M573 V575 A584 W607	G527-V538 PolarHBondContact N-O 3.01Å; G527-V538 PolarHBondContact O-N 3.39Å; V538-V550 HydrophobicContact CG1-CG2 4.24Å; V538-V550 HydrophobicContact CG2-CG1 3.89Å; V538-M566 HydrophobicContact CG1-CE 3.74Å; V538-M566 HydrophobicContact CG1-SD 3.61Å; V538-M573 HydrophobicContact CG1-CE 4.25Å; V538-M573 HydrophobicContact CG1-SD 3.99Å; V538-M573 VanDerWaalsContact O-CE 3.23Å; V538-M573 WeakPolarHBondContact O-CE 3.36Å; V538-V575 HydrophobicContact CB-CG1 4.39Å; V538-V575 HydrophobicContact CB-CG2 4.07Å; V538-V575 HydrophobicContact CG1-CG2 4.11Å; V538-V575 HydrophobicContact CG2-CG1 3.99Å; V538-A584 HydrophobicContact CG1-CB 4.22Å; V538-W607 HydrophobicContact CG1-CH2 4.06Å; V538-W607 HydrophobicContact CG1-CZ2 4.24Å; V538-W607 HydrophobicContact CG2-CH2 4.43Å; V538-W607 HydrophobicContact CG2-CZ2 4.46Å
539	G	98.3	Very high	95.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	56.2	-134.4	175.3	0	0	0	0	0	113.9	R523 L547 T549	R523-G539 PolarHBondContact NH1-O 3.28Å; G539-L547 VanDerWaalsContact CA-O 3.28Å; G539-L547 WeakPolarHBondContact CA-O 3.36Å; G539-T549 PolarHBondContact N-O 3.25Å
540	G	97.8	Very high	96	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	98.6	-154.4	-171.8	0	0	0	0	0	112.4	H524 L547 R570	H524-G540 CarbonylContact O-C 3.54Å; H524-G540 VanDerWaalsContact O-CA 3.31Å; H524-G540 WeakPolarHBondContact O-CA 3.47Å; G540-L547 PolarHBondContact O-N 2.85Å; G540-R570 PolarHBondContact N-O 2.87Å
541	H	96.8	Very high	96.1	Very high	29 Å²	29	38 Å²	38	13%	0.134	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	133.1	178.6	-167.8	-82.5	0	0	0	109	H524 G543 S545 Y546	H524-H541 AromaticContact CE1-ND1 3.62Å; H524-H541 PolarHBondContact N-O 3.38Å; H524-H541 PolarHBondContact ND1-O 2.88Å; H524-H541 PolarHBondContact O-N 2.87Å; H541-G543 VanDerWaalsContact CE1-C 3.44Å; H541-G543 PolarHBondContact ND1-N 2.78Å; H541-G543 VanDerWaalsContact ND1-N 3.11Å; H541-S545 VanDerWaalsContact CA-O 3.26Å; H541-S545 WeakPolarHBondContact CA-O 3.42Å; H541-S545 VanDerWaalsContact CD2-C 3.42Å; H541-S545 PolarHBondContact CD2-O 2.9Å; H541-S545 VanDerWaalsContact CG-O 3.26Å; H541-Y546 AromaticContact CD2-CD2 3.47Å; H541-Y546 VanDerWaalsContact CD2-CD2 3.47Å; H541-Y546 WeakPolarHBondContact CD2-CD2 3.41Å; H541-Y546 AromaticContact CD2-CE2 3.56Å; H541-Y546 AromaticContact CD2-CG 3.78Å; H541-Y546 AromaticContact CD2-CZ 3.98Å; H541-Y546 AromaticContact NE2-CD2 3.81Å; H541-Y546 AromaticContact NE2-CE2 3.71Å
542	D	96.3	Very high	96.2	Very high	47 Å²	47	42 Å²	42	25%	0.251	21%	0.212	S	C	.	.			trans	-83.1	-26.6	-176.9	56	26.5	0	0	0	113.4	T499 T521 H522 W544 S545 L547	T499-D542 WeakPolarHBondContact CB-O 3.46Å; T499-D542 WeakPolarHBondContact CG2-O 3.31Å; T499-D542 PolarHBondContact OG1-O 2.6Å; T521-D542 HydrophobicContact CG2-CB 4.37Å; H522-D542 VanDerWaalsContact O-CA 3.27Å; H522-D542 WeakPolarHBondContact O-CA 3.48Å; H522-D542 WeakPolarHBondContact O-CB 3.29Å; D542-W544 WeakPolarHBondContact OD1-CA 3.34Å; D542-W544 PolarHBondContact OD1-N 2.87Å; D542-S545 PolarHBondContact N-O 3.03Å; D542-S545 VanDerWaalsContact N-O 3.15Å; D542-S545 PolarHBondContact OD1-N 2.77Å; D542-S545 PolarHBondContact OD2-OG 3.14Å; D542-L547 HydrophobicContact CB-CD1 4.24Å; D542-L547 HydrophobicContact CB-CD2 4.29Å
543	G	93.4	Very high	96.5	Very high	40 Å²	40	36.4 Å²	36.4	41%	0.412	19%	0.185	S	C	.	.	S	Bend	trans	134	-23.8	-172.4	0	0	0	0	0	112.4	H541	H541-G543 VanDerWaalsContact CE1-C 3.44Å; H541-G543 PolarHBondContact ND1-N 2.78Å; H541-G543 VanDerWaalsContact ND1-N 3.11Å
544	W	92.2	Very high	96.5	Very high	248 Å²	248	36.4 Å²	36.4	94%	0.939	18%	0.176	S	C	*	.	S	Bend	trans	-116.3	-35.8	176.6	-108.4	-95.7	0	0	0	113.5	D542	D542-W544 WeakPolarHBondContact OD1-CA 3.34Å; D542-W544 PolarHBondContact OD1-N 2.87Å
545	S	95.2	Very high	96.1	Very high	48 Å²	48	38.8 Å²	38.8	34%	0.336	19%	0.192	S	C	.	.	S	Bend	trans	-138.6	151	-166.5	85.5	0	0	0	0	113.4	H541 D542	H541-S545 VanDerWaalsContact CA-O 3.26Å; H541-S545 WeakPolarHBondContact CA-O 3.42Å; H541-S545 VanDerWaalsContact CD2-C 3.42Å; H541-S545 PolarHBondContact CD2-O 2.9Å; H541-S545 VanDerWaalsContact CG-O 3.26Å; D542-S545 PolarHBondContact N-O 3.03Å; D542-S545 VanDerWaalsContact N-O 3.15Å; D542-S545 PolarHBondContact OD1-N 2.77Å; D542-S545 PolarHBondContact OD2-OG 3.14Å
546	Y	96.8	Very high	95.6	Very high	82 Å²	82	47.5 Å²	47.5	32%	0.322	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	130.1	168.1	-70.8	-107.1	0	0	0	108.9	H541 P569 S571 R588	H541-Y546 AromaticContact CD2-CD2 3.47Å; H541-Y546 VanDerWaalsContact CD2-CD2 3.47Å; H541-Y546 WeakPolarHBondContact CD2-CD2 3.41Å; H541-Y546 AromaticContact CD2-CE2 3.56Å; H541-Y546 AromaticContact CD2-CG 3.78Å; H541-Y546 AromaticContact CD2-CZ 3.98Å; H541-Y546 AromaticContact NE2-CD2 3.81Å; H541-Y546 AromaticContact NE2-CE2 3.71Å; Y546-P569 VanDerWaalsContact O-CB 3.22Å; Y546-P569 WeakPolarHBondContact O-CB 3.25Å; Y546-S571 WeakPolarHBondContact CD1-OG 3.33Å; Y546-S571 WeakPolarHBondContact CE1-OG 3.25Å; Y546-R588 VanDerWaalsContact CD1-O 3.22Å; Y546-R588 WeakPolarHBondContact CD1-O 3.44Å; Y546-R588 HydrophobicContact CE1-CB 4.23Å
547	L	98.1	Very high	95.2	Very high	13 Å²	13	49.6 Å²	49.6	7%	0.068	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	135.2	-170.4	-60	173.3	0	0	0	111.5	T521 R523 G539 G540 D542 R570	T521-L547 HydrophobicContact CG2-CD1 3.89Å; T521-L547 HydrophobicContact CG2-CD2 4.38Å; R523-L547 HydrophobicContact CG-CD1 3.84Å; G539-L547 VanDerWaalsContact CA-O 3.28Å; G539-L547 WeakPolarHBondContact CA-O 3.36Å; G540-L547 PolarHBondContact O-N 2.85Å; D542-L547 HydrophobicContact CB-CD1 4.24Å; D542-L547 HydrophobicContact CB-CD2 4.29Å; L547-R570 PolarHBondContact O-N 2.8Å
548	N	98.1	Very high	94.8	Very high	56 Å²	56	57.1 Å²	57.1	30%	0.299	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	-11.5	162.1	71.4	-32.8	0	0	0	112.5	S565 M566 P569	N548-S565 WeakPolarHBondContact O-CA 3.09Å; N548-S565 WeakPolarHBondContact O-CB 3.18Å; N548-M566 HydrophobicContact CB-CB 4.22Å; N548-M566 WeakPolarHBondContact CB-O 3.19Å; N548-M566 PolarHBondContact ND2-O 3.17Å; N548-M566 PolarHBondContact O-N 3.44Å; N548-P569 HydrophobicContact CB-CB 4.28Å
549	T	98.6	Very high	94.6	Very high	34 Å²	34	61.5 Å²	61.5	21%	0.209	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	150.7	-176.9	63.6	0	0	0	0	112.1	R523 G539 S565	R523-T549 PolarHBondContact NH1-O 2.81Å; R523-T549 PolarHBondContact NH1-OG1 2.86Å; R523-T549 PolarHBondContact NH2-OG1 3.18Å; G539-T549 PolarHBondContact N-O 3.25Å; T549-S565 WeakPolarHBondContact CA-OG 3.38Å
550	V	98.6	Very high	94.6	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	131.4	-176	-175.6	0	0	0	0	109.5	A537 V538 Y562 V563 M566 W607	A537-V550 WeakPolarHBondContact O-CA 3.45Å; V538-V550 HydrophobicContact CG1-CG2 4.24Å; V538-V550 HydrophobicContact CG2-CG1 3.89Å; V550-Y562 WeakPolarHBondContact O-CA 3.29Å; V550-V563 HydrophobicContact CB-CG2 3.7Å; V550-V563 HydrophobicContact CG1-CG2 3.52Å; V550-V563 PolarHBondContact O-N 2.73Å; V550-M566 HydrophobicContact CG2-CG 4.41Å; V550-W607 HydrophobicContact CG1-CZ2 4.49Å; V550-W607 HydrophobicContact CG2-CZ2 3.79Å
551	E	98.4	Very high	94.6	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	130.8	177.9	-71.4	173.8	-110.9	0	0	110.1	S520 T521 R523 Y536 A537 W560 N561 Y562	S520-E551 WeakPolarHBondContact CA-OE2 3.24Å; S520-E551 VanDerWaalsContact CB-OE2 3.23Å; S520-E551 WeakPolarHBondContact CB-OE2 3.41Å; S520-E551 PolarHBondContact N-OE2 2.85Å; S520-E551 PolarHBondContact OG-OE2 3.17Å; T521-E551 WeakPolarHBondContact CB-OE1 3.47Å; T521-E551 PolarHBondContact N-OE1 3.06Å; T521-E551 VanDerWaalsContact N-OE1 3.09Å; T521-E551 PolarHBondContact OG1-OE1 2.85Å; R523-E551 IonicContact CZ-OE1 3.32Å; R523-E551 VanDerWaalsContact CZ-OE1 3.32Å; R523-E551 IonicContact NE-OE1 3.02Å; R523-E551 PolarHBondContact NE-OE1 3.12Å; R523-E551 IonicContact NH2-OE1 2.76Å; R523-E551 PolarHBondContact NH2-OE1 2.98Å; Y536-E551 CarbonylContact C-O 3.57Å; Y536-E551 WeakPolarHBondContact CA-O 3.44Å; A537-E551 HydrophobicContact CB-CB 4.48Å; A537-E551 PolarHBondContact N-O 2.9Å; A537-E551 PolarHBondContact O-N 2.84Å; E551-W560 HydrophobicContact CB-CE3 3.91Å; E551-N561 CarbonylContact C-O 3.51Å; E551-N561 WeakPolarHBondContact CA-O 3.38Å; E551-Y562 HydrophobicContact CG-CD1 3.57Å; E551-Y562 HydrophobicContact CG-CE1 3.51Å; E551-Y562 HydrophobicContact CG-CG 4.32Å
552	R	97.6	Very high	94.6	Very high	95 Å²	95	70.4 Å²	70.4	36%	0.358	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	129.3	176.5	177.1	-173.7	172.5	-140.8	-4	109.5	P534 M535 Y536 W560 N561 V563	P534-R552 HydrophobicContact CB-CG 3.9Å; M535-R552 CarbonylContact O-C 3.55Å; M535-R552 WeakPolarHBondContact O-CA 3.39Å; Y536-R552 HydrophobicContact CD1-CB 3.86Å; Y536-R552 HydrophobicContact CD1-CG 4.06Å; Y536-R552 HydrophobicContact CE1-CB 3.8Å; Y536-R552 HydrophobicContact CE1-CG 3.65Å; Y536-R552 HydrophobicContact CE2-CG 4.33Å; Y536-R552 PolarHBondContact OH-NE 3.19Å; R552-W560 WeakPolarHBondContact O-CA 3.48Å; R552-N561 PolarHBondContact N-O 2.73Å; R552-N561 PolarHBondContact O-N 3.5Å; R552-V563 HydrophobicContact CB-CG1 3.74Å
553	W	96.2	Very high	94.7	Very high	11 Å²	11	69.3 Å²	69.3	4%	0.042	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	122.4	168.8	174.7	-113.4	0	0	0	110.3	M516 P517 P534 M535 P555 R558 W560	M516-W553 HydrophobicContact CE-CH2 4.24Å; M516-W553 HydrophobicContact CE-CZ2 3.84Å; P517-W553 HydrophobicContact CB-CH2 4.16Å; P517-W553 HydrophobicContact CB-CZ3 4Å; P517-W553 HydrophobicContact CG-CH2 3.84Å; P517-W553 HydrophobicContact CG-CZ3 4.2Å; P534-W553 WeakPolarHBondContact CB-O 3.47Å; M535-W553 HydrophobicContact CB-CB 3.98Å; M535-W553 HydrophobicContact CE-CB 4Å; M535-W553 HydrophobicContact CE-CD2 4.37Å; M535-W553 HydrophobicContact CE-CG 3.69Å; M535-W553 PolarHBondContact O-N 2.78Å; W553-P555 WeakPolarHBondContact O-CD 3.29Å; W553-R558 VanDerWaalsContact CH2-CA 3.42Å; W553-R558 HydrophobicContact CH2-CB 3.93Å; W553-R558 VanDerWaalsContact CH2-O 3.3Å; W553-R558 WeakPolarHBondContact CH2-O 3.46Å; W553-R558 HydrophobicContact CZ2-CB 4.28Å; W553-R558 WeakPolarHBondContact CZ3-O 3.37Å; W553-W560 HydrophobicContact CB-CD2 4.16Å; W553-W560 HydrophobicContact CB-CE3 3.96Å; W553-W560 HydrophobicContact CB-CH2 3.88Å; W553-W560 HydrophobicContact CB-CZ2 4.05Å; W553-W560 HydrophobicContact CB-CZ3 3.82Å; W553-W560 AromaticContact CE3-CD1 3.65Å; W553-W560 HydrophobicContact CE3-CD2 4.07Å; W553-W560 AromaticContact CE3-CE2 3.75Å; W553-W560 HydrophobicContact CE3-CG 4.03Å; W553-W560 HydrophobicContact CE3-CZ2 4.38Å; W553-W560 AromaticContact CE3-NE1 3.47Å; W553-W560 AromaticContact CZ3-CD1 3.91Å; W553-W560 AromaticContact CZ3-NE1 3.84Å
554	D	89.1	Confident	95	Very high	38 Å²	38	68.7 Å²	68.7	20%	0.203	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	110.9	167	-171.7	-33.9	0	0	0	109.2	Q556 A557 R558 Q559	D554-Q556 VanDerWaalsContact C-N 3.32Å; D554-Q556 PolarHBondContact O-N 2.66Å; D554-Q556 WeakPolarHBondContact OD1-CA 3.38Å; D554-Q556 WeakPolarHBondContact OD1-CB 3.45Å; D554-Q556 PolarHBondContact OD1-N 3.1Å; D554-A557 HydrophobicContact CB-CB 4.13Å; D554-A557 PolarHBondContact OD1-N 3.29Å; D554-R558 WeakPolarHBondContact O-CA 3.29Å; D554-R558 PolarHBondContact O-N 3.29Å; D554-Q559 HydrophobicContact CB-CG 4.41Å; D554-Q559 PolarHBondContact N-O 2.91Å; D554-Q559 PolarHBondContact O-N 2.93Å
555	P	85.4	Confident	95.3	Very high	63 Å²	63	59.4 Å²	59.4	41%	0.409	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-22.9	-179.7	29.8	-34.7	0	0	0	113.5	W553	W553-P555 WeakPolarHBondContact O-CD 3.29Å
556	Q	85.6	Confident	95.4	Very high	185 Å²	185	57.3 Å²	57.3	86%	0.864	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-50.1	178.8	-63.6	-175.1	-2	0	0	110.6	D554 R558	D554-Q556 VanDerWaalsContact C-N 3.32Å; D554-Q556 PolarHBondContact O-N 2.66Å; D554-Q556 WeakPolarHBondContact OD1-CA 3.38Å; D554-Q556 WeakPolarHBondContact OD1-CB 3.45Å; D554-Q556 PolarHBondContact OD1-N 3.1Å; Q556-R558 VanDerWaalsContact C-N 3.28Å; Q556-R558 PolarHBondContact O-N 2.89Å
557	A	89	Confident	95.4	Very high	53 Å²	53	57.3 Å²	57.3	44%	0.438	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-8.5	178	0	0	0	0	0	113.6	D554 Q559	D554-A557 HydrophobicContact CB-CB 4.13Å; D554-A557 PolarHBondContact OD1-N 3.29Å; A557-Q559 VanDerWaalsContact C-N 3.32Å; A557-Q559 HydrophobicContact CB-CG 3.7Å; A557-Q559 PolarHBondContact O-N 2.84Å
558	R	91.3	Very high	95.4	Very high	157 Å²	157	58 Å²	58	59%	0.592	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	41.1	179.3	-60.7	-176.7	64.2	-175.4	-0.2	114.1	W553 D554 Q556	W553-R558 VanDerWaalsContact CH2-CA 3.42Å; W553-R558 HydrophobicContact CH2-CB 3.93Å; W553-R558 VanDerWaalsContact CH2-O 3.3Å; W553-R558 WeakPolarHBondContact CH2-O 3.46Å; W553-R558 HydrophobicContact CZ2-CB 4.28Å; W553-R558 WeakPolarHBondContact CZ3-O 3.37Å; D554-R558 WeakPolarHBondContact O-CA 3.29Å; D554-R558 PolarHBondContact O-N 3.29Å; Q556-R558 VanDerWaalsContact C-N 3.28Å; Q556-R558 PolarHBondContact O-N 2.89Å
559	Q	94.6	Very high	95.3	Very high	93 Å²	93	57.5 Å²	57.5	44%	0.435	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	154.9	-176	54.6	172.5	4.5	0	0	112.1	D554 A557 N561	D554-Q559 HydrophobicContact CB-CG 4.41Å; D554-Q559 PolarHBondContact N-O 2.91Å; D554-Q559 PolarHBondContact O-N 2.93Å; A557-Q559 VanDerWaalsContact C-N 3.32Å; A557-Q559 HydrophobicContact CB-CG 3.7Å; A557-Q559 PolarHBondContact O-N 2.84Å; Q559-N561 PolarHBondContact NE2-ND2 3.18Å
560	W	97.8	Very high	95.3	Very high	19 Å²	19	55.9 Å²	55.9	7%	0.072	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	132.3	170.7	-67.8	90.3	0	0	0	110.2	V491 V503 P517 M519 M535 A537 E551 R552 W553	V491-W560 HydrophobicContact CG1-CH2 4.35Å; V491-W560 HydrophobicContact CG1-CZ2 4.47Å; V503-W560 HydrophobicContact CG2-CZ2 3.83Å; P517-W560 PolarHBondContact O-NE1 3.09Å; M519-W560 HydrophobicContact CG-CD2 3.87Å; M519-W560 HydrophobicContact CG-CE3 4.2Å; M519-W560 HydrophobicContact CG-CG 4.3Å; M519-W560 HydrophobicContact CG-CH2 4.37Å; M519-W560 HydrophobicContact CG-CZ2 4.06Å; M519-W560 HydrophobicContact CG-CZ3 4.44Å; M535-W560 HydrophobicContact CB-CH2 4.25Å; M535-W560 HydrophobicContact CE-CH2 4.38Å; M535-W560 HydrophobicContact CE-CZ2 4.33Å; A537-W560 HydrophobicContact CB-CH2 4.33Å; A537-W560 HydrophobicContact CB-CZ3 3.86Å; E551-W560 HydrophobicContact CB-CE3 3.91Å; R552-W560 WeakPolarHBondContact O-CA 3.48Å; W553-W560 HydrophobicContact CB-CD2 4.16Å; W553-W560 HydrophobicContact CB-CE3 3.96Å; W553-W560 HydrophobicContact CB-CH2 3.88Å; W553-W560 HydrophobicContact CB-CZ2 4.05Å; W553-W560 HydrophobicContact CB-CZ3 3.82Å; W553-W560 AromaticContact CE3-CD1 3.65Å; W553-W560 HydrophobicContact CE3-CD2 4.07Å; W553-W560 AromaticContact CE3-CE2 3.75Å; W553-W560 HydrophobicContact CE3-CG 4.03Å; W553-W560 HydrophobicContact CE3-CZ2 4.38Å; W553-W560 AromaticContact CE3-NE1 3.47Å; W553-W560 AromaticContact CZ3-CD1 3.91Å; W553-W560 AromaticContact CZ3-NE1 3.84Å
561	N	97.2	Very high	95.2	Very high	70 Å²	70	56.3 Å²	56.3	37%	0.374	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	141.9	177.1	-75.7	-78.5	0	0	0	110.4	E551 R552 Q559	E551-N561 CarbonylContact C-O 3.51Å; E551-N561 WeakPolarHBondContact CA-O 3.38Å; R552-N561 PolarHBondContact N-O 2.73Å; R552-N561 PolarHBondContact O-N 3.5Å; Q559-N561 PolarHBondContact NE2-ND2 3.18Å
562	Y	98.1	Very high	95	Very high	127 Å²	127	57.8 Å²	57.8	50%	0.498	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	139.3	172.1	-68.1	-77.4	0	0	0	111.3	S520 T521 V550 E551	S520-Y562 WeakPolarHBondContact CB-OH 3.27Å; T521-Y562 PolarHBondContact OG1-OH 2.7Å; T521-Y562 VanDerWaalsContact OG1-OH 3.11Å; V550-Y562 WeakPolarHBondContact O-CA 3.29Å; E551-Y562 HydrophobicContact CG-CD1 3.57Å; E551-Y562 HydrophobicContact CG-CE1 3.51Å; E551-Y562 HydrophobicContact CG-CG 4.32Å
563	V	98	Very high	94.9	Very high	24 Å²	24	53.9 Å²	53.9	15%	0.145	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	-176.9	165.4	-61.2	0	0	0	0	109.2	Y536 V550 R552 S565 F600	Y536-V563 HydrophobicContact CD1-CG2 4.42Å; Y536-V563 HydrophobicContact CE1-CG1 4.49Å; V550-V563 HydrophobicContact CB-CG2 3.7Å; V550-V563 HydrophobicContact CG1-CG2 3.52Å; V550-V563 PolarHBondContact O-N 2.73Å; R552-V563 HydrophobicContact CB-CG1 3.74Å; V563-S565 PolarHBondContact O-N 2.71Å; V563-F600 HydrophobicContact CB-CE2 4.41Å; V563-F600 HydrophobicContact CB-CZ 4.02Å; V563-F600 HydrophobicContact CG2-CE2 4.31Å; V563-F600 HydrophobicContact CG2-CZ 4.03Å
564	A	98.3	Very high	95	Very high	27 Å²	27	53.7 Å²	53.7	22%	0.223	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-55.9	140.2	176.8	0	0	0	0	0	111.5	F600 N605 W607	A564-F600 HydrophobicContact CB-CE2 4.28Å; A564-N605 WeakPolarHBondContact CB-O 3.39Å; A564-N605 WeakPolarHBondContact CB-OD1 3.16Å; A564-N605 PolarHBondContact N-OD1 3.44Å; A564-W607 VanDerWaalsContact O-CD1 3.26Å; A564-W607 PolarHBondContact O-NE1 3.42Å
565	S	98.4	Very high	95.4	Very high	52 Å²	52	52.7 Å²	52.7	36%	0.364	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-85.3	153.7	179.2	-58.3	0	0	0	0	110.9	N548 T549 V563	N548-S565 WeakPolarHBondContact O-CA 3.09Å; N548-S565 WeakPolarHBondContact O-CB 3.18Å; T549-S565 WeakPolarHBondContact CA-OG 3.38Å; V563-S565 PolarHBondContact O-N 2.71Å
566	M	98.4	Very high	96	Very high	4 Å²	4	50.5 Å²	50.5	2%	0.02	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-65	159.2	172.7	-64.2	177.9	-64.6	0	0	111.1	V538 N548 V550 T568 R570 M573 A584 W607	V538-M566 HydrophobicContact CG1-CE 3.74Å; V538-M566 HydrophobicContact CG1-SD 3.61Å; N548-M566 HydrophobicContact CB-CB 4.22Å; N548-M566 WeakPolarHBondContact CB-O 3.19Å; N548-M566 PolarHBondContact ND2-O 3.17Å; N548-M566 PolarHBondContact O-N 3.44Å; V550-M566 HydrophobicContact CG2-CG 4.41Å; M566-T568 WeakPolarHBondContact CB-O 3.25Å; M566-R570 HydrophobicContact CE-CB 4.12Å; M566-R570 HydrophobicContact CE-CG 4.32Å; M566-M573 HydrophobicContact CE-CE 4.29Å; M566-M573 HydrophobicContact CE-SD 4.26Å; M566-M573 HydrophobicContact SD-SD 4.29Å; M566-A584 HydrophobicContact SD-CB 3.67Å; M566-W607 HydrophobicContact CG-CD2 3.63Å; M566-W607 HydrophobicContact CG-CE3 3.95Å; M566-W607 HydrophobicContact CG-CG 4.13Å; M566-W607 HydrophobicContact CG-CH2 4.14Å; M566-W607 HydrophobicContact CG-CZ2 3.84Å; M566-W607 HydrophobicContact CG-CZ3 4.19Å; M566-W607 HydrophobicContact SD-CH2 4.25Å; M566-W607 HydrophobicContact SD-CZ2 4.4Å; M566-W607 HydrophobicContact SD-CZ3 4.39Å
567	S	97.4	Very high	96.5	Very high	82 Å²	82	43.1 Å²	43.1	57%	0.573	24%	0.24	S	C	*	.	S	Bend	trans	-70.2	-35.7	172.6	-31.3	0	0	0	0	111.1	E598	S567-E598 WeakPolarHBondContact CA-OE2 3.27Å; S567-E598 WeakPolarHBondContact CB-OE2 3.12Å; S567-E598 PolarHBondContact N-OE2 3.11Å; S567-E598 PolarHBondContact OG-OE2 3.02Å
568	T	96.8	Very high	96.9	Very high	28 Å²	28	41 Å²	41	17%	0.172	22%	0.222	C	C	.	.	S	Bend	trans	-108.3	135	-179.9	-33.1	0	0	0	0	110.6	M566 R570 L594 E598	M566-T568 WeakPolarHBondContact CB-O 3.25Å; T568-R570 PolarHBondContact OG1-NH2 2.89Å; T568-L594 HydrophobicContact CG2-CD1 4Å; T568-E598 VanDerWaalsContact CB-OE1 3.26Å; T568-E598 WeakPolarHBondContact CB-OE1 3.28Å; T568-E598 PolarHBondContact N-OE1 2.85Å; T568-E598 PolarHBondContact OG1-OE1 2.92Å
569	P	97.4	Very high	97	Very high	45 Å²	45	37.9 Å²	37.9	29%	0.292	22%	0.217	S	C	.	.			trans	-71	138	165.8	30.2	-33.5	0	0	0	110.7	Y546 N548 D589	Y546-P569 VanDerWaalsContact O-CB 3.22Å; Y546-P569 WeakPolarHBondContact O-CB 3.25Å; N548-P569 HydrophobicContact CB-CB 4.28Å; P569-D589 WeakPolarHBondContact O-CA 3.39Å
570	R	97.1	Very high	97	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	21%	0.206	C	C	.	.			trans	-146	133.4	-169.7	-62.5	176.6	-174.4	-98.2	0.5	112	G540 L547 M566 T568 M573 G586 R588 L594 S596 E598	G540-R570 PolarHBondContact N-O 2.87Å; L547-R570 PolarHBondContact O-N 2.8Å; M566-R570 HydrophobicContact CE-CB 4.12Å; M566-R570 HydrophobicContact CE-CG 4.32Å; T568-R570 PolarHBondContact OG1-NH2 2.89Å; R570-M573 HydrophobicContact CB-CB 4.45Å; R570-M573 HydrophobicContact CB-CE 3.53Å; R570-M573 HydrophobicContact CB-SD 3.6Å; R570-M573 HydrophobicContact CG-SD 4.33Å; R570-M573 WeakPolarHBondContact O-CE 3.38Å; R570-G586 PolarHBondContact NH1-O 2.8Å; R570-R588 CarbonylContact C-O 3.45Å; R570-R588 WeakPolarHBondContact CA-O 3.25Å; R570-L594 HydrophobicContact CG-CD1 3.81Å; R570-S596 PolarHBondContact NH1-O 2.89Å; R570-S596 PolarHBondContact NH1-OG 2.85Å; R570-S596 PolarHBondContact NH2-OG 3.14Å; R570-E598 IonicContact CZ-OE1 3.4Å; R570-E598 IonicContact NE-OE1 3.18Å; R570-E598 PolarHBondContact NE-OE1 3.31Å; R570-E598 IonicContact NH2-OE1 2.76Å; R570-E598 PolarHBondContact NH2-OE1 3.32Å
571	S	96.4	Very high	97	Very high	9 Å²	9	36.6 Å²	36.6	6%	0.063	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-132.1	160.6	162.4	78.3	0	0	0	0	111.6	G525 Y546 M573 G587 R588	G525-S571 CarbonylContact O-C 3.42Å; G525-S571 WeakPolarHBondContact O-CA 3.42Å; Y546-S571 WeakPolarHBondContact CD1-OG 3.33Å; Y546-S571 WeakPolarHBondContact CE1-OG 3.25Å; S571-M573 PolarHBondContact O-N 2.99Å; S571-G587 CarbonylContact O-C 3.58Å; S571-G587 VanDerWaalsContact O-CA 3.25Å; S571-G587 WeakPolarHBondContact O-CA 3.3Å; S571-R588 PolarHBondContact N-O 3.17Å; S571-R588 PolarHBondContact O-N 2.84Å
572	T	95.1	Very high	97	Very high	32 Å²	32	33.2 Å²	33.2	20%	0.196	20%	0.198	C	C	.	.	S	Bend	trans	55.1	34.8	-173.5	64.9	0	0	0	0	113.5	G525 G619	G525-T572 PolarHBondContact O-N 2.82Å; T572-G619 PolarHBondContact O-N 2.88Å
573	M	96.5	Very high	97	Very high	12 Å²	12	27.6 Å²	27.6	6%	0.059	18%	0.176	C	C	.	.			trans	-92.8	155	177.5	92.8	-159.8	90.4	0	0	110.4	V538 M566 R570 S571 V575 A584 V585	V538-M573 HydrophobicContact CG1-CE 4.25Å; V538-M573 HydrophobicContact CG1-SD 3.99Å; V538-M573 VanDerWaalsContact O-CE 3.23Å; V538-M573 WeakPolarHBondContact O-CE 3.36Å; M566-M573 HydrophobicContact CE-CE 4.29Å; M566-M573 HydrophobicContact CE-SD 4.26Å; M566-M573 HydrophobicContact SD-SD 4.29Å; R570-M573 HydrophobicContact CB-CB 4.45Å; R570-M573 HydrophobicContact CB-CE 3.53Å; R570-M573 HydrophobicContact CB-SD 3.6Å; R570-M573 HydrophobicContact CG-SD 4.33Å; R570-M573 WeakPolarHBondContact O-CE 3.38Å; S571-M573 PolarHBondContact O-N 2.99Å; M573-V575 HydrophobicContact CG-CG2 3.55Å; M573-V575 HydrophobicContact SD-CG2 3.88Å; M573-A584 HydrophobicContact SD-CB 3.93Å; M573-V585 WeakPolarHBondContact CB-O 3.32Å
574	G	97.1	Very high	97.1	Very high	7 Å²	7	26.5 Å²	26.5	7%	0.072	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	139.3	166.4	0	0	0	0	0	110.4	V585	G574-V585 PolarHBondContact N-O 3.42Å; G574-V585 VanDerWaalsContact N-O 3.08Å; G574-V585 PolarHBondContact O-N 2.85Å
575	V	98.1	Very high	97.1	Very high	18 Å²	18	25.2 Å²	25.2	11%	0.109	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	135.8	176.9	179.7	0	0	0	0	109.7	A529 V538 M573 F583 A584	A529-V575 HydrophobicContact CB-CG1 3.91Å; V538-V575 HydrophobicContact CB-CG1 4.39Å; V538-V575 HydrophobicContact CB-CG2 4.07Å; V538-V575 HydrophobicContact CG1-CG2 4.11Å; V538-V575 HydrophobicContact CG2-CG1 3.99Å; M573-V575 HydrophobicContact CG-CG2 3.55Å; M573-V575 HydrophobicContact SD-CG2 3.88Å; V575-F583 VanDerWaalsContact CA-O 3.3Å; V575-F583 WeakPolarHBondContact CA-O 3.33Å; V575-A584 HydrophobicContact CG2-CB 4.38Å
576	T	97.4	Very high	97	Very high	17 Å²	17	22.7 Å²	22.7	10%	0.104	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	165.5	-178.6	-164.5	0	0	0	0	111.6	L582 F583 V622 T624 L629	T576-L582 WeakPolarHBondContact O-CA 3.37Å; T576-F583 HydrophobicContact CG2-CB 4.45Å; T576-F583 PolarHBondContact N-O 3.38Å; T576-F583 VanDerWaalsContact N-O 3.17Å; T576-F583 PolarHBondContact O-N 3.14Å; T576-V622 HydrophobicContact CG2-CG1 3.64Å; T576-T624 HydrophobicContact CG2-CG2 3.62Å; T576-L629 HydrophobicContact CG2-CD1 3.47Å; T576-L629 VanDerWaalsContact CG2-CD1 3.47Å; T576-L629 HydrophobicContact CG2-CG 3.99Å
577	A	97.3	Very high	96.8	Very high	29 Å²	29	22.5 Å²	22.5	24%	0.24	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	130	176.8	0	0	0	0	0	110.4	V530 L531 K581 L582	V530-A577 WeakPolarHBondContact O-CB 3.31Å; L531-A577 HydrophobicContact CB-CB 4.27Å; L531-A577 HydrophobicContact CD1-CB 4.23Å; A577-K581 CarbonylContact C-O 3.44Å; A577-K581 WeakPolarHBondContact CA-O 3.39Å; A577-L582 HydrophobicContact CB-CD2 3.98Å
578	L	96.3	Very high	96.7	Very high	10 Å²	10	22.1 Å²	22.1	5%	0.052	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	132.2	178.9	-178.5	58.3	0	0	0	109.7	G580 K581 F583 T624 L629 P655	L578-G580 VanDerWaalsContact C-N 3.32Å; L578-G580 PolarHBondContact O-N 3.44Å; L578-K581 PolarHBondContact N-O 3.17Å; L578-K581 PolarHBondContact O-N 3.02Å; L578-F583 HydrophobicContact CB-CD2 3.92Å; L578-F583 HydrophobicContact CB-CE2 3.79Å; L578-F583 HydrophobicContact CD2-CE2 4.5Å; L578-F583 HydrophobicContact CG-CE2 4.43Å; L578-T624 HydrophobicContact CB-CG2 3.97Å; L578-T624 HydrophobicContact CD1-CG2 4.21Å; L578-T624 HydrophobicContact CD2-CG2 4.33Å; L578-T624 HydrophobicContact CG-CG2 4.4Å; L578-L629 HydrophobicContact CD2-CB 3.99Å; L578-P655 HydrophobicContact CD2-CB 4.49Å; L578-P655 HydrophobicContact CD2-CG 4Å
579	N	92.6	Very high	96.4	Very high	91 Å²	91	23 Å²	23	49%	0.487	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	45.1	173	-55.8	-17.4	0	0	0	114.5	P655	N579-P655 WeakPolarHBondContact ND2-CG 3.31Å
580	G	94.9	Very high	95.8	Very high	21 Å²	21	23.1 Å²	23.1	22%	0.216	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.7	15.7	178.8	0	0	0	0	0	115.2	L578 P602	L578-G580 VanDerWaalsContact C-N 3.32Å; L578-G580 PolarHBondContact O-N 3.44Å; G580-P602 WeakPolarHBondContact O-CD 3.26Å
581	K	97.5	Very high	95.3	Very high	63 Å²	63	26.2 Å²	26.2	27%	0.274	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	155.9	-176.2	-59.5	-169.1	-161.6	-56.3	0	111.4	A577 L578 F583 C599 F600 D601	A577-K581 CarbonylContact C-O 3.44Å; A577-K581 WeakPolarHBondContact CA-O 3.39Å; L578-K581 PolarHBondContact N-O 3.17Å; L578-K581 PolarHBondContact O-N 3.02Å; K581-F583 HydrophobicContact CB-CE2 4.05Å; K581-C599 VanDerWaalsContact CD-SG 3.58Å; K581-F600 WeakPolarHBondContact CA-O 3.47Å; K581-F600 VanDerWaalsContact CB-O 3.25Å; K581-F600 WeakPolarHBondContact CB-O 3.28Å; K581-D601 HydrophobicContact CD-CB 4.45Å; K581-D601 IonicContact NZ-OD1 3.12Å; K581-D601 PolarHBondContact NZ-OD1 2.84Å; K581-D601 IonicContact NZ-OD2 3.61Å; K581-D601 PolarHBondContact NZ-OD2 2.85Å
582	L	98.2	Very high	95	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	143.9	170.1	-59.7	174.3	0	0	0	110.3	A529 L531 Y536 T576 A577 C599 F600 W607	A529-L582 HydrophobicContact CB-CD2 3.83Å; L531-L582 HydrophobicContact CB-CD2 3.68Å; L531-L582 HydrophobicContact CB-CG 4.28Å; L531-L582 HydrophobicContact CD2-CD2 4.07Å; L531-L582 HydrophobicContact CD2-CG 3.84Å; L531-L582 HydrophobicContact CG-CD2 4.46Å; Y536-L582 HydrophobicContact CD1-CD1 3.8Å; Y536-L582 HydrophobicContact CD2-CD1 3.85Å; Y536-L582 HydrophobicContact CE1-CD1 4.41Å; Y536-L582 HydrophobicContact CE2-CD1 4.47Å; Y536-L582 HydrophobicContact CG-CD1 3.48Å; Y536-L582 VanDerWaalsContact CG-CD1 3.48Å; T576-L582 WeakPolarHBondContact O-CA 3.37Å; A577-L582 HydrophobicContact CB-CD2 3.98Å; L582-C599 CarbonylContact O-C 3.5Å; L582-C599 VanDerWaalsContact O-CA 3.26Å; L582-C599 WeakPolarHBondContact O-CA 3.48Å; L582-F600 HydrophobicContact CB-CB 4.11Å; L582-F600 HydrophobicContact CD1-CD1 4.22Å; L582-F600 PolarHBondContact N-O 2.78Å; L582-F600 VanDerWaalsContact N-O 3.17Å; L582-F600 PolarHBondContact O-N 2.78Å; L582-W607 HydrophobicContact CB-CH2 4.45Å
583	F	98.6	Very high	95	Very high	9 Å²	9	24.7 Å²	24.7	4%	0.039	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	128.8	173.4	-69.3	-96.9	0	0	0	109.8	V575 T576 L578 K581 V585 M597 E598 C599 L629 Y653	V575-F583 VanDerWaalsContact CA-O 3.3Å; V575-F583 WeakPolarHBondContact CA-O 3.33Å; T576-F583 HydrophobicContact CG2-CB 4.45Å; T576-F583 PolarHBondContact N-O 3.38Å; T576-F583 VanDerWaalsContact N-O 3.17Å; T576-F583 PolarHBondContact O-N 3.14Å; L578-F583 HydrophobicContact CB-CD2 3.92Å; L578-F583 HydrophobicContact CB-CE2 3.79Å; L578-F583 HydrophobicContact CD2-CE2 4.5Å; L578-F583 HydrophobicContact CG-CE2 4.43Å; K581-F583 HydrophobicContact CB-CE2 4.05Å; F583-V585 HydrophobicContact CB-CG2 4.35Å; F583-M597 HydrophobicContact CB-SD 4.15Å; F583-M597 HydrophobicContact CD1-CE 3.98Å; F583-M597 HydrophobicContact CD1-CG 4.21Å; F583-M597 HydrophobicContact CD1-SD 3.69Å; F583-M597 HydrophobicContact CE1-CE 4.36Å; F583-M597 HydrophobicContact CG-SD 4.34Å; F583-E598 WeakPolarHBondContact CA-O 3.25Å; F583-C599 HydrophobicContact CD1-CB 3.9Å; F583-C599 HydrophobicContact CE1-CB 3.68Å; F583-C599 HydrophobicContact CZ-CB 4.22Å; F583-L629 HydrophobicContact CB-CD1 3.56Å; F583-L629 HydrophobicContact CD1-CD1 4.47Å; F583-L629 HydrophobicContact CD2-CD1 4.48Å; F583-L629 HydrophobicContact CG-CD1 3.94Å; F583-Y653 HydrophobicContact CD1-CE1 4.43Å; F583-Y653 AromaticContact CE1-CE1 3.85Å; F583-Y653 HydrophobicContact CE1-CE1 3.85Å; F583-Y653 HydrophobicContact CZ-CE1 4.42Å
584	A	98.4	Very high	94.9	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	113.8	176.3	0	0	0	0	0	109.4	V538 M566 M573 V575 M597 E598 W607	V538-A584 HydrophobicContact CG1-CB 4.22Å; M566-A584 HydrophobicContact SD-CB 3.67Å; M573-A584 HydrophobicContact SD-CB 3.93Å; V575-A584 HydrophobicContact CG2-CB 4.38Å; A584-M597 WeakPolarHBondContact O-CA 3.45Å; A584-E598 PolarHBondContact N-O 3.1Å; A584-E598 PolarHBondContact O-N 3.36Å; A584-W607 HydrophobicContact CB-CH2 3.91Å; A584-W607 HydrophobicContact CB-CZ3 3.65Å
585	V	98.3	Very high	94.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	121.1	-160	-168.3	0	0	0	0	110.9	M573 G574 F583 G587 M597 M613 V620 V622 L629 A631 W660	M573-V585 WeakPolarHBondContact CB-O 3.32Å; G574-V585 PolarHBondContact N-O 3.42Å; G574-V585 VanDerWaalsContact N-O 3.08Å; G574-V585 PolarHBondContact O-N 2.85Å; F583-V585 HydrophobicContact CB-CG2 4.35Å; V585-G587 PolarHBondContact O-N 3.08Å; V585-M597 HydrophobicContact CG2-CG 4.14Å; V585-M597 HydrophobicContact CG2-SD 3.82Å; V585-M613 HydrophobicContact CG1-CE 3.97Å; V585-M613 HydrophobicContact CG1-SD 3.68Å; V585-V620 WeakPolarHBondContact O-CG1 3.45Å; V585-V622 HydrophobicContact CB-CG2 4Å; V585-V622 HydrophobicContact CG1-CG2 4.21Å; V585-V622 HydrophobicContact CG2-CG1 4.17Å; V585-V622 HydrophobicContact CG2-CG2 4.22Å; V585-L629 HydrophobicContact CG2-CD1 4.01Å; V585-L629 HydrophobicContact CG2-CD2 4.25Å; V585-A631 HydrophobicContact CG1-CB 4.4Å; V585-W660 HydrophobicContact CG1-CH2 3.93Å; V585-W660 HydrophobicContact CG1-CZ2 4.29Å
586	G	97	Very high	94.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.173	C	C	.	.			trans	61.6	-131.5	176.7	0	0	0	0	0	112.5	R570 S596	R570-G586 PolarHBondContact NH1-O 2.8Å; G586-S596 PolarHBondContact N-O 2.88Å; G586-S596 VanDerWaalsContact N-O 3.14Å
587	G	95.4	Very high	94.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.168	C	C	.	.			trans	87.2	-159.6	-173.4	0	0	0	0	0	112.9	S571 V585 C593 L594 R617	S571-G587 CarbonylContact O-C 3.58Å; S571-G587 VanDerWaalsContact O-CA 3.25Å; S571-G587 WeakPolarHBondContact O-CA 3.3Å; V585-G587 PolarHBondContact O-N 3.08Å; G587-C593 CarbonylContact O-C 3.56Å; G587-C593 WeakPolarHBondContact O-CA 3.39Å; G587-L594 PolarHBondContact O-N 3.16Å; G587-R617 PolarHBondContact N-O 3.11Å
588	R	93.6	Very high	94.9	Very high	74 Å²	74	28.3 Å²	28.3	28%	0.279	16%	0.157	S	C	.	.	B	Isolated β-bridge	trans	-134.4	143.5	179.1	-53.1	-173.6	74.6	171.6	3.6	110.3	Y546 R570 S571 S592 A637	Y546-R588 VanDerWaalsContact CD1-O 3.22Å; Y546-R588 WeakPolarHBondContact CD1-O 3.44Å; Y546-R588 HydrophobicContact CE1-CB 4.23Å; R570-R588 CarbonylContact C-O 3.45Å; R570-R588 WeakPolarHBondContact CA-O 3.25Å; S571-R588 PolarHBondContact N-O 3.17Å; S571-R588 PolarHBondContact O-N 2.84Å; R588-S592 WeakPolarHBondContact CA-O 3.45Å; R588-A637 VanDerWaalsContact NH2-CB 3.35Å
589	D	91.9	Very high	95	Very high	45 Å²	45	28.5 Å²	28.5	24%	0.241	16%	0.159	C	C	.	.			trans	-103.9	3.4	-179.4	62.3	-2.3	0	0	0	113.6	P569 S591 S592 L594	P569-D589 WeakPolarHBondContact O-CA 3.39Å; D589-S591 VanDerWaalsContact CG-OG 3.25Å; D589-S591 WeakPolarHBondContact OD1-CA 3.38Å; D589-S591 WeakPolarHBondContact OD1-CB 3.35Å; D589-S591 PolarHBondContact OD1-N 2.72Å; D589-S591 PolarHBondContact OD1-OG 2.79Å; D589-S591 PolarHBondContact OD2-OG 2.87Å; D589-S592 PolarHBondContact N-O 3.02Å; D589-S592 PolarHBondContact OD1-N 2.85Å; D589-L594 HydrophobicContact CB-CD1 4.26Å; D589-L594 HydrophobicContact CB-CD2 4.22Å; D589-L594 HydrophobicContact CB-CG 4.48Å
590	G	84.9	Confident	95.3	Very high	49 Å²	49	24.3 Å²	24.3	51%	0.505	14%	0.136	S	C	.	.	S	Bend	trans	93.6	-20.8	-170.5	0	0	0	0	0	114.4
591	S	86.4	Confident	95.4	Very high	64 Å²	64	24.9 Å²	24.9	45%	0.448	14%	0.135	S	C	.	.	S	Bend	trans	-93.4	-46.4	172.8	83.1	0	0	0	0	112.3	D589 A639	D589-S591 VanDerWaalsContact CG-OG 3.25Å; D589-S591 WeakPolarHBondContact OD1-CA 3.38Å; D589-S591 WeakPolarHBondContact OD1-CB 3.35Å; D589-S591 PolarHBondContact OD1-N 2.72Å; D589-S591 PolarHBondContact OD1-OG 2.79Å; D589-S591 PolarHBondContact OD2-OG 2.87Å; S591-A639 VanDerWaalsContact O-CA 3.24Å; S591-A639 WeakPolarHBondContact O-CA 3.38Å; S591-A639 WeakPolarHBondContact O-CB 3.5Å
592	S	90.4	Very high	95.4	Very high	10 Å²	10	23.5 Å²	23.5	7%	0.07	13%	0.132	C	C	.	.	S	Bend	trans	-158	167.9	-168.3	61.3	0	0	0	0	112.5	R588 D589 R616	R588-S592 WeakPolarHBondContact CA-O 3.45Å; D589-S592 PolarHBondContact N-O 3.02Å; D589-S592 PolarHBondContact OD1-N 2.85Å; S592-R616 PolarHBondContact OG-NH1 2.95Å
593	C	93.9	Very high	95.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-71.1	137.8	164.3	-67.2	0	0	0	0	110.4	G587 R616 H635 A637	G587-C593 CarbonylContact O-C 3.56Å; G587-C593 WeakPolarHBondContact O-CA 3.39Å; C593-R616 HydrophobicContact CB-CB 4.01Å; C593-R616 WeakPolarHBondContact O-CB 3.38Å; C593-R616 WeakPolarHBondContact O-CD 3.2Å; C593-R616 VanDerWaalsContact O-CG 3.24Å; C593-R616 WeakPolarHBondContact O-CG 3.33Å; C593-R616 PolarHBondContact O-NH1 3.46Å; C593-H635 WeakPolarHBondContact CB-O 3.29Å; C593-H635 PolarHBondContact SG-O 2.86Å; C593-A637 PolarHBondContact N-O 3.48Å; C593-A637 PolarHBondContact SG-N 3.33Å
594	L	95.4	Very high	95.2	Very high	13 Å²	13	33.8 Å²	33.8	7%	0.068	19%	0.186	C	C	.	.			trans	-94.1	148.6	-175.1	-62.9	173.4	0	0	0	111.5	T568 R570 G587 D589 R616 R617	T568-L594 HydrophobicContact CG2-CD1 4Å; R570-L594 HydrophobicContact CG-CD1 3.81Å; G587-L594 PolarHBondContact O-N 3.16Å; D589-L594 HydrophobicContact CB-CD1 4.26Å; D589-L594 HydrophobicContact CB-CD2 4.22Å; D589-L594 HydrophobicContact CB-CG 4.48Å; L594-R616 WeakPolarHBondContact O-CA 3.46Å; L594-R617 PolarHBondContact O-N 3.46Å
595	R	95.9	Very high	95.1	Very high	124 Å²	124	37.5 Å²	37.5	47%	0.468	21%	0.205	S	C	.	.			trans	-107.6	-9.5	166.4	69.7	169.1	-170.4	-109.2	-2.6	113.5	P612 M613 K615 R616	R595-P612 HydrophobicContact CG-CB 3.94Å; R595-P612 CarbonylContact O-C 3.53Å; R595-P612 VanDerWaalsContact O-CA 3.29Å; R595-P612 WeakPolarHBondContact O-CA 3.42Å; R595-P612 WeakPolarHBondContact O-CB 3.15Å; R595-M613 HydrophobicContact CB-CB 4.48Å; R595-M613 WeakPolarHBondContact CD-O 3.26Å; R595-M613 PolarHBondContact O-N 3.3Å; R595-K615 VanDerWaalsContact CB-O 3.29Å; R595-K615 WeakPolarHBondContact CB-O 3.45Å; R595-R616 HydrophobicContact CB-CG 4.16Å
596	S	97.6	Very high	95.1	Very high	21 Å²	21	43.9 Å²	43.9	15%	0.147	23%	0.233	C	C	.	.			trans	-76	148.9	-177.5	50.6	0	0	0	0	111.5	R570 G586	R570-S596 PolarHBondContact NH1-O 2.89Å; R570-S596 PolarHBondContact NH1-OG 2.85Å; R570-S596 PolarHBondContact NH2-OG 3.14Å; G586-S596 PolarHBondContact N-O 2.88Å; G586-S596 VanDerWaalsContact N-O 3.14Å
597	M	98.1	Very high	95.2	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	143.3	170.8	179.3	168.4	66.1	0	0	109.5	F583 A584 V585 C610 L629 Y653 W660	F583-M597 HydrophobicContact CB-SD 4.15Å; F583-M597 HydrophobicContact CD1-CE 3.98Å; F583-M597 HydrophobicContact CD1-CG 4.21Å; F583-M597 HydrophobicContact CD1-SD 3.69Å; F583-M597 HydrophobicContact CE1-CE 4.36Å; F583-M597 HydrophobicContact CG-SD 4.34Å; A584-M597 WeakPolarHBondContact O-CA 3.45Å; V585-M597 HydrophobicContact CG2-CG 4.14Å; V585-M597 HydrophobicContact CG2-SD 3.82Å; M597-C610 HydrophobicContact CB-CB 4.4Å; M597-C610 HydrophobicContact CE-CB 3.59Å; M597-C610 HydrophobicContact CG-CB 4.4Å; M597-C610 PolarHBondContact O-N 3.01Å; M597-L629 HydrophobicContact SD-CD1 4.17Å; M597-Y653 HydrophobicContact CE-CD1 3.73Å; M597-Y653 HydrophobicContact CE-CD2 3.63Å; M597-Y653 HydrophobicContact CE-CE1 3.6Å; M597-Y653 HydrophobicContact CE-CE2 3.51Å; M597-Y653 HydrophobicContact CE-CG 3.74Å; M597-Y653 VanDerWaalsContact CE-CZ 3.49Å; M597-W660 HydrophobicContact CB-CZ2 4.48Å; M597-W660 HydrophobicContact CE-CZ2 3.71Å; M597-W660 HydrophobicContact SD-CH2 4.25Å; M597-W660 HydrophobicContact SD-CZ2 3.67Å
598	E	98.5	Very high	95.3	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	144.2	172.9	-71.1	176.7	-108.9	0	0	109.7	S567 T568 R570 F583 A584 W607 S608 M609	S567-E598 WeakPolarHBondContact CA-OE2 3.27Å; S567-E598 WeakPolarHBondContact CB-OE2 3.12Å; S567-E598 PolarHBondContact N-OE2 3.11Å; S567-E598 PolarHBondContact OG-OE2 3.02Å; T568-E598 VanDerWaalsContact CB-OE1 3.26Å; T568-E598 WeakPolarHBondContact CB-OE1 3.28Å; T568-E598 PolarHBondContact N-OE1 2.85Å; T568-E598 PolarHBondContact OG1-OE1 2.92Å; R570-E598 IonicContact CZ-OE1 3.4Å; R570-E598 IonicContact NE-OE1 3.18Å; R570-E598 PolarHBondContact NE-OE1 3.31Å; R570-E598 IonicContact NH2-OE1 2.76Å; R570-E598 PolarHBondContact NH2-OE1 3.32Å; F583-E598 WeakPolarHBondContact CA-O 3.25Å; A584-E598 PolarHBondContact N-O 3.1Å; A584-E598 PolarHBondContact O-N 3.36Å; E598-W607 HydrophobicContact CB-CE3 3.77Å; E598-W607 HydrophobicContact CB-CZ3 4.3Å; E598-W607 WeakPolarHBondContact O-CZ3 3.34Å; E598-S608 CarbonylContact C-O 3.52Å; E598-S608 VanDerWaalsContact CA-O 3.31Å; E598-S608 WeakPolarHBondContact CA-O 3.48Å; E598-M609 HydrophobicContact CG-SD 3.52Å; E598-M609 VanDerWaalsContact CG-SD 3.52Å
599	C	98.3	Very high	95.5	Very high	14 Å²	14	50.1 Å²	50.1	10%	0.095	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	126.5	-177.8	172.4	0	0	0	0	110.6	K581 L582 F583 W607 S608 C610	K581-C599 VanDerWaalsContact CD-SG 3.58Å; L582-C599 CarbonylContact O-C 3.5Å; L582-C599 VanDerWaalsContact O-CA 3.26Å; L582-C599 WeakPolarHBondContact O-CA 3.48Å; F583-C599 HydrophobicContact CD1-CB 3.9Å; F583-C599 HydrophobicContact CE1-CB 3.68Å; F583-C599 HydrophobicContact CZ-CB 4.22Å; C599-W607 CarbonylContact O-C 3.56Å; C599-W607 VanDerWaalsContact O-CA 3.31Å; C599-W607 WeakPolarHBondContact O-CA 3.47Å; C599-S608 PolarHBondContact N-O 3.09Å; C599-S608 PolarHBondContact O-N 3.1Å; C599-C610 WeakPolarHBondContact CB-SG 3.39Å
600	F	98.6	Very high	95.8	Very high	3 Å²	3	48.9 Å²	48.9	1%	0.013	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	130.4	175.6	-178.8	-112.5	0	0	0	111.7	Y536 V563 A564 K581 L582 P602 N605 K606 W607	Y536-F600 AromaticContact CE1-CE1 3.86Å; Y536-F600 HydrophobicContact CE1-CE1 3.86Å; V563-F600 HydrophobicContact CB-CE2 4.41Å; V563-F600 HydrophobicContact CB-CZ 4.02Å; V563-F600 HydrophobicContact CG2-CE2 4.31Å; V563-F600 HydrophobicContact CG2-CZ 4.03Å; A564-F600 HydrophobicContact CB-CE2 4.28Å; K581-F600 WeakPolarHBondContact CA-O 3.47Å; K581-F600 VanDerWaalsContact CB-O 3.25Å; K581-F600 WeakPolarHBondContact CB-O 3.28Å; L582-F600 HydrophobicContact CB-CB 4.11Å; L582-F600 HydrophobicContact CD1-CD1 4.22Å; L582-F600 PolarHBondContact N-O 2.78Å; L582-F600 VanDerWaalsContact N-O 3.17Å; L582-F600 PolarHBondContact O-N 2.78Å; F600-P602 HydrophobicContact CE1-CB 3.97Å; F600-N605 WeakPolarHBondContact CE2-OD1 3.43Å; F600-K606 WeakPolarHBondContact CA-O 3.39Å; F600-K606 WeakPolarHBondContact CD2-O 3.4Å; F600-W607 HydrophobicContact CB-CD2 3.7Å; F600-W607 HydrophobicContact CB-CE3 3.75Å; F600-W607 HydrophobicContact CB-CG 4.43Å; F600-W607 HydrophobicContact CB-CH2 3.73Å; F600-W607 HydrophobicContact CB-CZ2 3.65Å; F600-W607 HydrophobicContact CB-CZ3 3.77Å; F600-W607 AromaticContact CD2-CD1 3.78Å; F600-W607 HydrophobicContact CD2-CD2 4.15Å; F600-W607 AromaticContact CD2-CE2 3.78Å; F600-W607 HydrophobicContact CD2-CG 4.17Å; F600-W607 HydrophobicContact CD2-CZ2 4.34Å; F600-W607 AromaticContact CD2-NE1 3.52Å; F600-W607 HydrophobicContact CG-CD2 4.37Å; F600-W607 AromaticContact CG-CE2 3.99Å; F600-W607 HydrophobicContact CG-CZ2 4.13Å
601	D	97.5	Very high	96.4	Very high	34 Å²	34	47.5 Å²	47.5	18%	0.182	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	113.6	168.8	-167.1	-20.3	0	0	0	110.7	K581 H603 T604 N605 K606	K581-D601 HydrophobicContact CD-CB 4.45Å; K581-D601 IonicContact NZ-OD1 3.12Å; K581-D601 PolarHBondContact NZ-OD1 2.84Å; K581-D601 IonicContact NZ-OD2 3.61Å; K581-D601 PolarHBondContact NZ-OD2 2.85Å; D601-H603 PolarHBondContact O-N 2.84Å; D601-H603 WeakPolarHBondContact OD1-CB 3.29Å; D601-H603 IonicContact OD1-CG 2.69Å; D601-H603 PolarHBondContact OD1-N 2.79Å; D601-H603 IonicContact OD1-ND1 3.06Å; D601-H603 PolarHBondContact OD1-ND1 3.12Å; D601-H603 VanDerWaalsContact OD1-ND1 3.09Å; D601-T604 PolarHBondContact O-N 3.03Å; D601-N605 WeakPolarHBondContact O-CA 3.49Å; D601-N605 PolarHBondContact O-N 3.21Å; D601-K606 PolarHBondContact N-O 2.96Å; D601-K606 PolarHBondContact O-N 3.31Å
602	P	95.9	Very high	97	Very high	34 Å²	34	47.7 Å²	47.7	22%	0.221	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-26.9	179.3	28.2	-35.7	0	0	0	112.8	L531 G580 F600	L531-P602 HydrophobicContact CD2-CG 3.96Å; G580-P602 WeakPolarHBondContact O-CD 3.26Å; F600-P602 HydrophobicContact CE1-CB 3.97Å
603	H	95.4	Very high	97.3	Very high	146 Å²	146	47.3 Å²	47.3	68%	0.676	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-33.7	-177.4	-58.2	84.6	0	0	0	112.6	D601	D601-H603 PolarHBondContact O-N 2.84Å; D601-H603 WeakPolarHBondContact OD1-CB 3.29Å; D601-H603 IonicContact OD1-CG 2.69Å; D601-H603 PolarHBondContact OD1-N 2.79Å; D601-H603 IonicContact OD1-ND1 3.06Å; D601-H603 PolarHBondContact OD1-ND1 3.12Å; D601-H603 VanDerWaalsContact OD1-ND1 3.09Å
604	T	97	Very high	97.3	Very high	79 Å²	79	51.3 Å²	51.3	49%	0.485	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-7.7	178.7	69.1	0	0	0	0	113	D601	D601-T604 PolarHBondContact O-N 3.03Å
605	N	97.4	Very high	97.1	Very high	78 Å²	78	54.8 Å²	54.8	42%	0.417	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	49	55.7	-173	-171.9	25.9	0	0	0	111.8	A564 F600 D601	A564-N605 WeakPolarHBondContact CB-O 3.39Å; A564-N605 WeakPolarHBondContact CB-OD1 3.16Å; A564-N605 PolarHBondContact N-OD1 3.44Å; F600-N605 WeakPolarHBondContact CE2-OD1 3.43Å; D601-N605 WeakPolarHBondContact O-CA 3.49Å; D601-N605 PolarHBondContact O-N 3.21Å
606	K	98.1	Very high	96.9	Very high	133 Å²	133	53 Å²	53	58%	0.578	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.6	147.7	-178.2	-72	176.1	-174.1	178.8	0	111.8	F600 D601	F600-K606 WeakPolarHBondContact CA-O 3.39Å; F600-K606 WeakPolarHBondContact CD2-O 3.4Å; D601-K606 PolarHBondContact N-O 2.96Å; D601-K606 PolarHBondContact O-N 3.31Å
607	W	98.6	Very high	96.8	Very high	25 Å²	25	52 Å²	52	10%	0.095	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	143.2	163.6	-68.8	88.4	0	0	0	110.2	V538 V550 A564 M566 L582 A584 E598 C599 F600	V538-W607 HydrophobicContact CG1-CH2 4.06Å; V538-W607 HydrophobicContact CG1-CZ2 4.24Å; V538-W607 HydrophobicContact CG2-CH2 4.43Å; V538-W607 HydrophobicContact CG2-CZ2 4.46Å; V550-W607 HydrophobicContact CG1-CZ2 4.49Å; V550-W607 HydrophobicContact CG2-CZ2 3.79Å; A564-W607 VanDerWaalsContact O-CD1 3.26Å; A564-W607 PolarHBondContact O-NE1 3.42Å; M566-W607 HydrophobicContact CG-CD2 3.63Å; M566-W607 HydrophobicContact CG-CE3 3.95Å; M566-W607 HydrophobicContact CG-CG 4.13Å; M566-W607 HydrophobicContact CG-CH2 4.14Å; M566-W607 HydrophobicContact CG-CZ2 3.84Å; M566-W607 HydrophobicContact CG-CZ3 4.19Å; M566-W607 HydrophobicContact SD-CH2 4.25Å; M566-W607 HydrophobicContact SD-CZ2 4.4Å; M566-W607 HydrophobicContact SD-CZ3 4.39Å; L582-W607 HydrophobicContact CB-CH2 4.45Å; A584-W607 HydrophobicContact CB-CH2 3.91Å; A584-W607 HydrophobicContact CB-CZ3 3.65Å; E598-W607 HydrophobicContact CB-CE3 3.77Å; E598-W607 HydrophobicContact CB-CZ3 4.3Å; E598-W607 WeakPolarHBondContact O-CZ3 3.34Å; C599-W607 CarbonylContact O-C 3.56Å; C599-W607 VanDerWaalsContact O-CA 3.31Å; C599-W607 WeakPolarHBondContact O-CA 3.47Å; F600-W607 HydrophobicContact CB-CD2 3.7Å; F600-W607 HydrophobicContact CB-CE3 3.75Å; F600-W607 HydrophobicContact CB-CG 4.43Å; F600-W607 HydrophobicContact CB-CH2 3.73Å; F600-W607 HydrophobicContact CB-CZ2 3.65Å; F600-W607 HydrophobicContact CB-CZ3 3.77Å; F600-W607 AromaticContact CD2-CD1 3.78Å; F600-W607 HydrophobicContact CD2-CD2 4.15Å; F600-W607 AromaticContact CD2-CE2 3.78Å; F600-W607 HydrophobicContact CD2-CG 4.17Å; F600-W607 HydrophobicContact CD2-CZ2 4.34Å; F600-W607 AromaticContact CD2-NE1 3.52Å; F600-W607 HydrophobicContact CG-CD2 4.37Å; F600-W607 AromaticContact CG-CE2 3.99Å; F600-W607 HydrophobicContact CG-CZ2 4.13Å
608	S	98.1	Very high	96.5	Very high	73 Å²	73	52 Å²	52	51%	0.51	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	147	173.4	-66.9	0	0	0	0	109.8	E598 C599	E598-S608 CarbonylContact C-O 3.52Å; E598-S608 VanDerWaalsContact CA-O 3.31Å; E598-S608 WeakPolarHBondContact CA-O 3.48Å; C599-S608 PolarHBondContact N-O 3.09Å; C599-S608 PolarHBondContact O-N 3.1Å
609	M	98	Very high	96.2	Very high	107 Å²	107	52.6 Å²	52.6	53%	0.527	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	141.5	170.6	-66.2	-68.4	-58.2	0	0	110.6	E598	E598-M609 HydrophobicContact CG-SD 3.52Å; E598-M609 VanDerWaalsContact CG-SD 3.52Å
610	C	97.8	Very high	96.1	Very high	20 Å²	20	52.4 Å²	52.4	14%	0.135	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	174.4	166.7	-62.7	0	0	0	0	110.2	M597 C599	M597-C610 HydrophobicContact CB-CB 4.4Å; M597-C610 HydrophobicContact CE-CB 3.59Å; M597-C610 HydrophobicContact CG-CB 4.4Å; M597-C610 PolarHBondContact O-N 3.01Å; C599-C610 WeakPolarHBondContact CB-SG 3.39Å
611	A	98	Very high	96	Very high	20 Å²	20	52.5 Å²	52.5	17%	0.165	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-53.1	136	173.9	0	0	0	0	0	111.8	D658 W660	A611-D658 WeakPolarHBondContact CB-O 3.41Å; A611-D658 VanDerWaalsContact CB-OD1 3.25Å; A611-D658 WeakPolarHBondContact CB-OD1 3.38Å; A611-D658 PolarHBondContact N-OD1 3.23Å; A611-D658 PolarHBondContact N-OD2 3.13Å; A611-W660 PolarHBondContact O-NE1 2.89Å
612	P	97.9	Very high	96	Very high	67 Å²	67	51.7 Å²	51.7	44%	0.435	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-75.8	149.9	176.8	31.6	-34.6	0	0	0	111.6	R595 W660	R595-P612 HydrophobicContact CG-CB 3.94Å; R595-P612 CarbonylContact O-C 3.53Å; R595-P612 VanDerWaalsContact O-CA 3.29Å; R595-P612 WeakPolarHBondContact O-CA 3.42Å; R595-P612 WeakPolarHBondContact O-CB 3.15Å; P612-W660 VanDerWaalsContact C-CD1 3.5Å
613	M	97.2	Very high	96.1	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.01	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-59.7	156.8	165.5	-63.7	176.2	-62.6	0	0	110.5	V585 R595 K615 R617 A631 W660	V585-M613 HydrophobicContact CG1-CE 3.97Å; V585-M613 HydrophobicContact CG1-SD 3.68Å; R595-M613 HydrophobicContact CB-CB 4.48Å; R595-M613 WeakPolarHBondContact CD-O 3.26Å; R595-M613 PolarHBondContact O-N 3.3Å; M613-K615 VanDerWaalsContact C-N 3.33Å; M613-K615 WeakPolarHBondContact CB-O 3.43Å; M613-R617 HydrophobicContact CE-CB 4.18Å; M613-R617 HydrophobicContact CE-CG 4.15Å; M613-R617 HydrophobicContact SD-CG 4.41Å; M613-A631 HydrophobicContact SD-CB 3.69Å; M613-W660 HydrophobicContact CG-CD2 3.78Å; M613-W660 VanDerWaalsContact CG-CE2 3.46Å; M613-W660 HydrophobicContact CG-CE3 4.01Å; M613-W660 HydrophobicContact CG-CH2 3.59Å; M613-W660 HydrophobicContact CG-CZ2 3.37Å; M613-W660 HydrophobicContact CG-CZ3 3.92Å; M613-W660 HydrophobicContact SD-CH2 3.89Å; M613-W660 HydrophobicContact SD-CZ2 4.15Å; M613-W660 HydrophobicContact SD-CZ3 4.29Å
614	S	94.4	Very high	96.1	Very high	84 Å²	84	45.1 Å²	45.1	59%	0.587	25%	0.25	S	S	*	.	S	Bend	trans	-67.5	-35	174	67.2	0	0	0	0	112.1	E651	S614-E651 VanDerWaalsContact CB-OE2 3.27Å; S614-E651 WeakPolarHBondContact CB-OE2 3.37Å; S614-E651 PolarHBondContact N-OE2 3.01Å; S614-E651 VanDerWaalsContact OG-CD 3.23Å; S614-E651 PolarHBondContact OG-OE2 2.89Å
615	K	90.8	Very high	96	Very high	87 Å²	87	42.2 Å²	42.2	38%	0.378	23%	0.231	S	C	.	.	S	Bend	trans	-108.4	152.9	179.6	-67.6	176.5	178.8	175.4	0	112	R595 M613 C649	R595-K615 VanDerWaalsContact CB-O 3.29Å; R595-K615 WeakPolarHBondContact CB-O 3.45Å; M613-K615 VanDerWaalsContact C-N 3.33Å; M613-K615 WeakPolarHBondContact CB-O 3.43Å; K615-C649 HydrophobicContact CD-CB 4.19Å; K615-C649 PolarHBondContact NZ-SG 2.9Å; K615-C649 VanDerWaalsContact NZ-SG 3.38Å
616	R	92.9	Very high	95.6	Very high	86 Å²	86	40.7 Å²	40.7	33%	0.325	22%	0.222	S	C	.	.			trans	-79.9	138.3	168.7	-70.5	172.4	176.2	-92.6	8.7	109.1	S592 C593 L594 R595 D636	S592-R616 PolarHBondContact OG-NH1 2.95Å; C593-R616 HydrophobicContact CB-CB 4.01Å; C593-R616 WeakPolarHBondContact O-CB 3.38Å; C593-R616 WeakPolarHBondContact O-CD 3.2Å; C593-R616 VanDerWaalsContact O-CG 3.24Å; C593-R616 WeakPolarHBondContact O-CG 3.33Å; C593-R616 PolarHBondContact O-NH1 3.46Å; L594-R616 WeakPolarHBondContact O-CA 3.46Å; R595-R616 HydrophobicContact CB-CG 4.16Å; R616-D636 HydrophobicContact CB-CB 4.2Å; R616-D636 WeakPolarHBondContact CB-OD1 3.39Å; R616-D636 VanDerWaalsContact CD-OD1 3.29Å; R616-D636 WeakPolarHBondContact CD-OD1 3.35Å
617	R	93.6	Very high	95.2	Very high	1 Å²	1	37.5 Å²	37.5	0%	0.004	21%	0.211	C	C	.	.			trans	-144.1	105.1	-176.1	-52.4	178.4	179.1	-106.2	5	111.8	G587 L594 M613 V620 G633 H635 C649 E651	G587-R617 PolarHBondContact N-O 3.11Å; L594-R617 PolarHBondContact O-N 3.46Å; M613-R617 HydrophobicContact CE-CB 4.18Å; M613-R617 HydrophobicContact CE-CG 4.15Å; M613-R617 HydrophobicContact SD-CG 4.41Å; R617-V620 HydrophobicContact CB-CB 3.83Å; R617-V620 HydrophobicContact CB-CG1 4.48Å; R617-V620 HydrophobicContact CB-CG2 3.99Å; R617-V620 HydrophobicContact CG-CG2 4.48Å; R617-G633 PolarHBondContact NH1-O 3.05Å; R617-H635 WeakPolarHBondContact CA-O 3.49Å; R617-C649 VanDerWaalsContact CZ-O 3.28Å; R617-C649 PolarHBondContact NH1-O 2.79Å; R617-C649 PolarHBondContact NH2-O 3.46Å; R617-E651 IonicContact CZ-OE1 3.85Å; R617-E651 VanDerWaalsContact CZ-OE1 3.3Å; R617-E651 IonicContact NE-OE1 3.44Å; R617-E651 PolarHBondContact NE-OE1 2.77Å; R617-E651 IonicContact NH2-OE1 2.71Å; R617-E651 PolarHBondContact NH2-OE1 3.04Å
618	G	92.4	Very high	95.1	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-85.4	159.6	155.7	0	0	0	0	0	109.9	V620 G634 H635	G618-V620 PolarHBondContact O-N 3.31Å; G618-V620 VanDerWaalsContact O-N 3.16Å; G618-G634 CarbonylContact O-C 3.55Å; G618-G634 WeakPolarHBondContact O-CA 3.37Å; G618-H635 VanDerWaalsContact C-ND1 3.35Å; G618-H635 PolarHBondContact N-O 2.87Å; G618-H635 PolarHBondContact O-N 3.09Å; G618-H635 PolarHBondContact O-ND1 2.83Å; G618-H635 VanDerWaalsContact O-ND1 3.11Å
619	G	92.3	Very high	95.1	Very high	12 Å²	12	34.9 Å²	34.9	12%	0.124	19%	0.192	C	C	.	.	S	Bend	trans	57.9	31.7	177.7	0	0	0	0	0	113.9	T572 A672	T572-G619 PolarHBondContact O-N 2.88Å; G619-A672 VanDerWaalsContact O-CA 3.28Å; G619-A672 WeakPolarHBondContact O-CA 3.45Å; G619-A672 PolarHBondContact O-N 3.07Å
620	V	95.9	Very high	95.1	Very high	10 Å²	10	30 Å²	30	6%	0.061	17%	0.167	C	C	.	.			trans	-81.6	131.7	-171.4	63.2	0	0	0	0	111.9	V585 R617 G618 V622 A631	V585-V620 WeakPolarHBondContact O-CG1 3.45Å; R617-V620 HydrophobicContact CB-CB 3.83Å; R617-V620 HydrophobicContact CB-CG1 4.48Å; R617-V620 HydrophobicContact CB-CG2 3.99Å; R617-V620 HydrophobicContact CG-CG2 4.48Å; G618-V620 PolarHBondContact O-N 3.31Å; G618-V620 VanDerWaalsContact O-N 3.16Å; V620-V622 HydrophobicContact CG1-CG2 4.16Å; V620-V622 HydrophobicContact CG2-CG2 4.12Å; V620-A631 HydrophobicContact CG2-CB 4.11Å
621	G	97.1	Very high	95.1	Very high	4 Å²	4	29 Å²	29	4%	0.041	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	132.4	169.9	0	0	0	0	0	110.3	V632 V673	G621-V632 PolarHBondContact N-O 3.32Å; G621-V632 PolarHBondContact O-N 2.9Å; G621-V673 WeakPolarHBondContact CA-O 3.48Å
622	V	97.8	Very high	95.1	Very high	18 Å²	18	28 Å²	28	11%	0.109	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	131.2	-177.4	174.9	0	0	0	0	111.3	T576 V585 V620 L629 Y630 A631	T576-V622 HydrophobicContact CG2-CG1 3.64Å; V585-V622 HydrophobicContact CB-CG2 4Å; V585-V622 HydrophobicContact CG1-CG2 4.21Å; V585-V622 HydrophobicContact CG2-CG1 4.17Å; V585-V622 HydrophobicContact CG2-CG2 4.22Å; V620-V622 HydrophobicContact CG1-CG2 4.16Å; V620-V622 HydrophobicContact CG2-CG2 4.12Å; V622-L629 HydrophobicContact CG1-CD1 4.19Å; V622-L629 HydrophobicContact CG1-CD2 3.97Å; V622-L629 HydrophobicContact CG1-CG 3.92Å; V622-Y630 VanDerWaalsContact CA-O 3.32Å; V622-Y630 WeakPolarHBondContact CA-O 3.33Å; V622-A631 HydrophobicContact CG2-CB 4.47Å
623	A	97.5	Very high	95	Very high	6 Å²	6	24.9 Å²	24.9	5%	0.05	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	170.5	174.5	0	0	0	0	0	110.8	Y630 V675 L682	A623-Y630 PolarHBondContact N-O 3.21Å; A623-Y630 PolarHBondContact O-N 2.72Å; A623-V675 HydrophobicContact CB-CB 4.39Å; A623-V675 HydrophobicContact CB-CG1 3.71Å; A623-L682 HydrophobicContact CB-CD2 3.73Å
624	T	96.3	Very high	94.9	Very high	36 Å²	36	24.8 Å²	24.8	22%	0.221	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	137.6	-179	49.8	0	0	0	0	111	T576 L578 F628 L629	T576-T624 HydrophobicContact CG2-CG2 3.62Å; L578-T624 HydrophobicContact CB-CG2 3.97Å; L578-T624 HydrophobicContact CD1-CG2 4.21Å; L578-T624 HydrophobicContact CD2-CG2 4.33Å; L578-T624 HydrophobicContact CG-CG2 4.4Å; T624-F628 CarbonylContact C-O 3.6Å; T624-F628 VanDerWaalsContact CA-O 3.26Å; T624-F628 WeakPolarHBondContact CA-O 3.15Å; T624-L629 HydrophobicContact CG2-CB 4.3Å
625	Y	93.7	Very high	94.7	Very high	18 Å²	18	21.4 Å²	21.4	7%	0.071	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	140.3	177.1	-178.9	-139.4	0	0	0	111	N627 F628 L677 D680 L682 A702	Y625-N627 VanDerWaalsContact C-N 3.26Å; Y625-N627 PolarHBondContact O-N 2.72Å; Y625-F628 PolarHBondContact N-O 2.76Å; Y625-F628 PolarHBondContact O-N 2.74Å; Y625-L677 HydrophobicContact CD1-CD1 4.49Å; Y625-L677 HydrophobicContact CD2-CD1 3.5Å; Y625-L677 HydrophobicContact CD2-CD2 3.85Å; Y625-L677 HydrophobicContact CD2-CG 4.36Å; Y625-L677 HydrophobicContact CE2-CD1 3.98Å; Y625-L677 HydrophobicContact CG-CD1 3.84Å; Y625-D680 WeakPolarHBondContact CE1-O 3.17Å; Y625-D680 PolarHBondContact OH-O 3.19Å; Y625-L682 HydrophobicContact CD1-CG 4.41Å; Y625-A702 HydrophobicContact CD1-CB 3.82Å; Y625-A702 HydrophobicContact CE1-CB 3.55Å
626	N	88.7	Confident	94.6	Very high	45 Å²	45	19.4 Å²	19.4	24%	0.241	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	41.8	-178.7	-69.6	-23.2	0	0	0	114.6	P424 F628	P424-N626 HydrophobicContact CG-CB 4.24Å; N626-F628 HydrophobicContact CB-CD2 4.37Å; N626-F628 WeakPolarHBondContact O-CD2 3.23Å; N626-F628 WeakPolarHBondContact O-CE2 3.36Å; N626-F628 PolarHBondContact O-N 3.18Å
627	N	91	Very high	94.1	Very high	66 Å²	66	15.7 Å²	15.7	35%	0.353	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	9.1	-177	-53	-30.1	0	0	0	116.1	Y625 P655	Y625-N627 VanDerWaalsContact C-N 3.26Å; Y625-N627 PolarHBondContact O-N 2.72Å; N627-P655 WeakPolarHBondContact O-CD 3.41Å; N627-P655 WeakPolarHBondContact O-CG 3.37Å
628	F	95.2	Very high	92.9	Very high	44 Å²	44	17.6 Å²	17.6	19%	0.193	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	158.5	170.2	-56.8	-84.3	0	0	0	111.4	T624 Y625 N626 Y630 R652 Y653 D654	T624-F628 CarbonylContact C-O 3.6Å; T624-F628 VanDerWaalsContact CA-O 3.26Å; T624-F628 WeakPolarHBondContact CA-O 3.15Å; Y625-F628 PolarHBondContact N-O 2.76Å; Y625-F628 PolarHBondContact O-N 2.74Å; N626-F628 HydrophobicContact CB-CD2 4.37Å; N626-F628 WeakPolarHBondContact O-CD2 3.23Å; N626-F628 WeakPolarHBondContact O-CE2 3.36Å; N626-F628 PolarHBondContact O-N 3.18Å; F628-Y630 HydrophobicContact CB-CD2 4.46Å; F628-Y630 HydrophobicContact CB-CE2 3.85Å; F628-R652 HydrophobicContact CB-CG 3.61Å; F628-R652 HydrophobicContact CD1-CG 4.05Å; F628-R652 HydrophobicContact CG-CG 3.92Å; F628-Y653 WeakPolarHBondContact CA-O 3.47Å; F628-Y653 WeakPolarHBondContact CB-O 3.47Å; F628-D654 HydrophobicContact CD1-CB 3.9Å; F628-D654 HydrophobicContact CE1-CB 3.8Å
629	L	98.1	Very high	91.4	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	139.4	168	177.5	160.9	0	0	0	109	T576 L578 F583 V585 M597 V622 T624 R652 Y653 W660	T576-L629 HydrophobicContact CG2-CD1 3.47Å; T576-L629 VanDerWaalsContact CG2-CD1 3.47Å; T576-L629 HydrophobicContact CG2-CG 3.99Å; L578-L629 HydrophobicContact CD2-CB 3.99Å; F583-L629 HydrophobicContact CB-CD1 3.56Å; F583-L629 HydrophobicContact CD1-CD1 4.47Å; F583-L629 HydrophobicContact CD2-CD1 4.48Å; F583-L629 HydrophobicContact CG-CD1 3.94Å; V585-L629 HydrophobicContact CG2-CD1 4.01Å; V585-L629 HydrophobicContact CG2-CD2 4.25Å; M597-L629 HydrophobicContact SD-CD1 4.17Å; V622-L629 HydrophobicContact CG1-CD1 4.19Å; V622-L629 HydrophobicContact CG1-CD2 3.97Å; V622-L629 HydrophobicContact CG1-CG 3.92Å; T624-L629 HydrophobicContact CG2-CB 4.3Å; L629-R652 CarbonylContact O-C 3.54Å; L629-R652 WeakPolarHBondContact O-CA 3.27Å; L629-Y653 HydrophobicContact CB-CD1 4.28Å; L629-Y653 PolarHBondContact N-O 3.09Å; L629-Y653 VanDerWaalsContact N-O 3.16Å; L629-Y653 PolarHBondContact O-N 2.82Å; L629-W660 HydrophobicContact CD2-CH2 3.49Å; L629-W660 VanDerWaalsContact CD2-CH2 3.49Å; L629-W660 HydrophobicContact CD2-CZ2 4.47Å; L629-W660 HydrophobicContact CD2-CZ3 3.9Å
630	Y	98.4	Very high	89.9	Confident	3 Å²	3	25.9 Å²	25.9	1%	0.012	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	131.4	178.2	-67.5	-102.8	0	0	0	110.1	V622 A623 F628 E651 R652 V663 L682 Y700	V622-Y630 VanDerWaalsContact CA-O 3.32Å; V622-Y630 WeakPolarHBondContact CA-O 3.33Å; A623-Y630 PolarHBondContact N-O 3.21Å; A623-Y630 PolarHBondContact O-N 2.72Å; F628-Y630 HydrophobicContact CB-CD2 4.46Å; F628-Y630 HydrophobicContact CB-CE2 3.85Å; Y630-E651 WeakPolarHBondContact CA-O 3.39Å; Y630-R652 HydrophobicContact CD1-CB 4Å; Y630-R652 HydrophobicContact CD1-CG 4.04Å; Y630-R652 HydrophobicContact CD2-CG 4.43Å; Y630-R652 HydrophobicContact CE1-CB 3.85Å; Y630-R652 HydrophobicContact CE1-CG 3.63Å; Y630-R652 HydrophobicContact CE2-CG 4.07Å; Y630-R652 HydrophobicContact CG-CG 4.43Å; Y630-R652 VanDerWaalsContact OH-CD 3.3Å; Y630-R652 WeakPolarHBondContact OH-CD 3.13Å; Y630-V663 HydrophobicContact CD1-CG2 4.35Å; Y630-V663 HydrophobicContact CE1-CG2 4.42Å; Y630-L682 HydrophobicContact CD1-CD1 4Å; Y630-L682 HydrophobicContact CD2-CD1 3.47Å; Y630-L682 VanDerWaalsContact CD2-CD1 3.47Å; Y630-L682 HydrophobicContact CE1-CD1 4.4Å; Y630-L682 HydrophobicContact CE2-CD1 3.92Å; Y630-L682 HydrophobicContact CG-CD1 3.52Å; Y630-Y700 HydrophobicContact CD1-CE1 4.42Å; Y630-Y700 HydrophobicContact CE1-CD1 4.38Å; Y630-Y700 AromaticContact CE1-CE1 3.67Å; Y630-Y700 HydrophobicContact CE1-CE1 3.67Å
631	A	98.2	Very high	88	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	115.6	173.4	0	0	0	0	0	109.6	V585 M613 V620 V622 V650 E651 W660	V585-A631 HydrophobicContact CG1-CB 4.4Å; M613-A631 HydrophobicContact SD-CB 3.69Å; V620-A631 HydrophobicContact CG2-CB 4.11Å; V622-A631 HydrophobicContact CG2-CB 4.47Å; A631-V650 WeakPolarHBondContact O-CA 3.22Å; A631-E651 PolarHBondContact N-O 3.3Å; A631-E651 PolarHBondContact O-N 2.79Å; A631-W660 HydrophobicContact CB-CH2 3.9Å; A631-W660 HydrophobicContact CB-CZ3 3.63Å
632	V	97.9	Very high	85.9	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	131.3	-166.8	-179.7	0	0	0	0	109.5	G621 V650 L666 V673 V675 A684 W707	G621-V632 PolarHBondContact N-O 3.32Å; G621-V632 PolarHBondContact O-N 2.9Å; V632-V650 HydrophobicContact CG1-CG2 4.17Å; V632-V650 HydrophobicContact CG2-CG1 3.87Å; V632-V650 HydrophobicContact CG2-CG2 4.47Å; V632-L666 HydrophobicContact CG1-CD1 3.81Å; V632-L666 HydrophobicContact CG1-CD2 4.05Å; V632-L666 HydrophobicContact CG1-CG 4.19Å; V632-V673 HydrophobicContact CG1-CG1 4.16Å; V632-V675 HydrophobicContact CB-CG2 3.88Å; V632-V675 HydrophobicContact CG1-CG2 4.04Å; V632-V675 HydrophobicContact CG2-CG1 4.19Å; V632-V675 HydrophobicContact CG2-CG2 4.12Å; V632-A684 HydrophobicContact CG1-CB 4.3Å; V632-W707 HydrophobicContact CG1-CH2 4.41Å; V632-W707 HydrophobicContact CG2-CH2 4.49Å
633	G	95.9	Very high	83.9	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.238	C	C	.	.			trans	52.8	-141.3	174.9	0	0	0	0	0	114.7	R617 S647	R617-G633 PolarHBondContact NH1-O 3.05Å; G633-S647 WeakPolarHBondContact CA-O 3.33Å
634	G	94.3	Very high	82.6	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	26%	0.255	C	S	.	.			trans	84.4	-170.7	-171.4	0	0	0	0	0	112.2	G618 S647 R670	G618-G634 CarbonylContact O-C 3.55Å; G618-G634 WeakPolarHBondContact O-CA 3.37Å; G634-S647 WeakPolarHBondContact O-CB 3.24Å; G634-S647 PolarHBondContact O-N 2.84Å; G634-R670 PolarHBondContact N-O 2.87Å
635	H	91.3	Very high	82	Confident	13 Å²	13	50 Å²	50	6%	0.06	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	150.9	-175.4	69.5	-74.1	0	0	0	114.7	C593 R617 G618 S644 R645 L646 D671	C593-H635 WeakPolarHBondContact CB-O 3.29Å; C593-H635 PolarHBondContact SG-O 2.86Å; R617-H635 WeakPolarHBondContact CA-O 3.49Å; G618-H635 VanDerWaalsContact C-ND1 3.35Å; G618-H635 PolarHBondContact N-O 2.87Å; G618-H635 PolarHBondContact O-N 3.09Å; G618-H635 PolarHBondContact O-ND1 2.83Å; G618-H635 VanDerWaalsContact O-ND1 3.11Å; H635-S644 WeakPolarHBondContact CB-OG 3.35Å; H635-S644 PolarHBondContact CD2-OG 2.92Å; H635-R645 CarbonylContact C-O 3.58Å; H635-R645 VanDerWaalsContact CA-O 3.27Å; H635-R645 WeakPolarHBondContact CA-O 3.37Å; H635-L646 HydrophobicContact CB-CD2 4.08Å; H635-D671 HydrophobicContact CB-CB 4.05Å; H635-D671 IonicContact CE1-OD2 2.72Å; H635-D671 IonicContact ND1-OD2 2.75Å
636	D	89	Confident	81.8	Confident	46 Å²	46	51.3 Å²	51.3	25%	0.246	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	116.1	162.8	-168	11.4	0	0	0	110.4	R616 R645	R616-D636 HydrophobicContact CB-CB 4.2Å; R616-D636 WeakPolarHBondContact CB-OD1 3.39Å; R616-D636 VanDerWaalsContact CD-OD1 3.29Å; R616-D636 WeakPolarHBondContact CD-OD1 3.35Å; D636-R645 PolarHBondContact N-O 3.45Å; D636-R645 PolarHBondContact O-N 2.99Å
637	A	80.6	Confident	81.9	Confident	7 Å²	7	49.7 Å²	49.7	6%	0.058	28%	0.277	C	S	.	.			trans	-121.6	95.7	168.9	0	0	0	0	0	107.7	R588 C593	R588-A637 VanDerWaalsContact NH2-CB 3.35Å; C593-A637 PolarHBondContact N-O 3.48Å; C593-A637 PolarHBondContact SG-N 3.33Å
638	P	68.9	Low	82	Confident	41 Å²	41	49.1 Å²	49.1	27%	0.266	27%	0.273	S	S	.	.			trans	-72.8	154	-179.8	30.6	-35.5	0	0	0	111.5	S640 N641	P638-S640 PolarHBondContact O-N 3.06Å; P638-N641 HydrophobicContact CG-CB 4.42Å; P638-N641 PolarHBondContact O-N 3.02Å; P638-N641 VanDerWaalsContact O-O 3.09Å
639	A	62	Low	82	Confident	71 Å²	71	47.2 Å²	47.2	59%	0.587	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-26.5	-178	0	0	0	0	0	114.4	S591	S591-A639 VanDerWaalsContact O-CA 3.24Å; S591-A639 WeakPolarHBondContact O-CA 3.38Å; S591-A639 WeakPolarHBondContact O-CB 3.5Å
640	S	59.3	Low	82	Confident	115 Å²	115	47.2 Å²	47.2	80%	0.804	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-5.9	-174.5	54.2	0	0	0	0	115.3	P638	P638-S640 PolarHBondContact O-N 3.06Å
641	N	55.9	Low	82	Confident	81 Å²	81	47.2 Å²	47.2	43%	0.433	27%	0.266	S	S	.	.			trans	-153.7	126.7	179.3	-166.8	-10.4	0	0	0	111.8	P638 C643	P638-N641 HydrophobicContact CG-CB 4.42Å; P638-N641 PolarHBondContact O-N 3.02Å; P638-N641 VanDerWaalsContact O-O 3.09Å; N641-C643 VanDerWaalsContact C-N 3.33Å; N641-C643 PolarHBondContact O-N 3.27Å; N641-C643 PolarHBondContact OD1-N 3.25Å
642	H	53.3	Low	82	Confident	176 Å²	176	50.4 Å²	50.4	82%	0.815	28%	0.278	S	S	*	.			trans	-81.6	-5.4	-174.3	-56.9	-38.8	0	0	0	114.6	S644	H642-S644 PolarHBondContact O-N 2.89Å
643	C	56.2	Low	82	Confident	86 Å²	86	50.8 Å²	50.8	58%	0.581	28%	0.279	S	S	*	.			trans	-64.9	98.2	171.2	-64.5	0	0	0	0	111	N641 R645	N641-C643 VanDerWaalsContact C-N 3.33Å; N641-C643 PolarHBondContact O-N 3.27Å; N641-C643 PolarHBondContact OD1-N 3.25Å; C643-R645 PolarHBondContact O-N 2.98Å
644	S	71.1	Confident	82	Confident	58 Å²	58	52.5 Å²	52.5	41%	0.406	29%	0.288	S	S	.	.			trans	-60.4	120.2	174.4	-166.3	0	0	0	0	110.7	H635 H642	H635-S644 WeakPolarHBondContact CB-OG 3.35Å; H635-S644 PolarHBondContact CD2-OG 2.92Å; H642-S644 PolarHBondContact O-N 2.89Å
645	R	83.2	Confident	82.1	Confident	181 Å²	181	54.2 Å²	54.2	68%	0.683	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.9	101.8	174.2	-69.2	179.7	175.5	174.1	-3	109.2	H635 D636 C643	H635-R645 CarbonylContact C-O 3.58Å; H635-R645 VanDerWaalsContact CA-O 3.27Å; H635-R645 WeakPolarHBondContact CA-O 3.37Å; D636-R645 PolarHBondContact N-O 3.45Å; D636-R645 PolarHBondContact O-N 2.99Å; C643-R645 PolarHBondContact O-N 2.98Å
646	L	90.1	Very high	82.1	Confident	45 Å²	45	60.1 Å²	60.1	24%	0.236	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	150.9	175.3	-54.1	174.9	0	0	0	110.7	H635 P669 D671 D689 G690	H635-L646 HydrophobicContact CB-CD2 4.08Å; L646-P669 HydrophobicContact CB-CB 3.99Å; L646-D671 HydrophobicContact CD2-CB 3.73Å; L646-D689 WeakPolarHBondContact CD1-O 3.21Å; L646-G690 VanDerWaalsContact CD1-N 3.31Å
647	S	89.8	Confident	82.5	Confident	11 Å²	11	61.9 Å²	61.9	8%	0.077	34%	0.337	C	S	.	.			trans	-118.5	134.3	-178.1	-173.1	0	0	0	0	111.5	G633 G634 C649 P669 R670	G633-S647 WeakPolarHBondContact CA-O 3.33Å; G634-S647 WeakPolarHBondContact O-CB 3.24Å; G634-S647 PolarHBondContact O-N 2.84Å; S647-C649 PolarHBondContact OG-N 2.76Å; S647-P669 WeakPolarHBondContact O-CA 3.25Å; S647-R670 PolarHBondContact O-N 3.13Å
648	D	93.6	Very high	83.3	Confident	53 Å²	53	65 Å²	65	28%	0.283	35%	0.353	S	S	.	.			trans	-83.9	-37.2	164.4	62.5	-42.4	0	0	0	111.5	S665 L666 P669	D648-S665 WeakPolarHBondContact OD2-CB 3.37Å; D648-S665 PolarHBondContact OD2-OG 3.42Å; D648-L666 PolarHBondContact O-N 2.83Å; D648-P669 HydrophobicContact CB-CB 4.3Å; D648-P669 HydrophobicContact CB-CG 4.08Å
649	C	95.2	Very high	84.7	Confident	4 Å²	4	66.1 Å²	66.1	3%	0.027	36%	0.359	C	S	.	.			trans	-62.5	140.2	-166	173.5	0	0	0	0	112.7	K615 R617 S647 S665	K615-C649 HydrophobicContact CD-CB 4.19Å; K615-C649 PolarHBondContact NZ-SG 2.9Å; K615-C649 VanDerWaalsContact NZ-SG 3.38Å; R617-C649 VanDerWaalsContact CZ-O 3.28Å; R617-C649 PolarHBondContact NH1-O 2.79Å; R617-C649 PolarHBondContact NH2-O 3.46Å; S647-C649 PolarHBondContact OG-N 2.76Å; C649-S665 WeakPolarHBondContact CA-OG 3.28Å
650	V	97.8	Very high	86.4	Confident	1 Å²	1	64.5 Å²	64.5	1%	0.006	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	137.5	178.3	-175.9	0	0	0	0	109.5	A631 V632 V663 L666 W707	A631-V650 WeakPolarHBondContact O-CA 3.22Å; V632-V650 HydrophobicContact CG1-CG2 4.17Å; V632-V650 HydrophobicContact CG2-CG1 3.87Å; V632-V650 HydrophobicContact CG2-CG2 4.47Å; V650-V663 HydrophobicContact CB-CG2 3.76Å; V650-V663 HydrophobicContact CG1-CG2 3.51Å; V650-V663 PolarHBondContact O-N 3.44Å; V650-L666 HydrophobicContact CG2-CG 4.19Å; V650-W707 HydrophobicContact CG1-CZ2 4.42Å; V650-W707 HydrophobicContact CG2-CZ2 3.92Å
651	E	98	Very high	88.2	Confident	2 Å²	2	62.2 Å²	62.2	1%	0.009	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	133.4	179.7	-69	171.8	-91.7	0	0	110.3	S614 R617 Y630 A631 W660	S614-E651 VanDerWaalsContact CB-OE2 3.27Å; S614-E651 WeakPolarHBondContact CB-OE2 3.37Å; S614-E651 PolarHBondContact N-OE2 3.01Å; S614-E651 VanDerWaalsContact OG-CD 3.23Å; S614-E651 PolarHBondContact OG-OE2 2.89Å; R617-E651 IonicContact CZ-OE1 3.85Å; R617-E651 VanDerWaalsContact CZ-OE1 3.3Å; R617-E651 IonicContact NE-OE1 3.44Å; R617-E651 PolarHBondContact NE-OE1 2.77Å; R617-E651 IonicContact NH2-OE1 2.71Å; R617-E651 PolarHBondContact NH2-OE1 3.04Å; Y630-E651 WeakPolarHBondContact CA-O 3.39Å; A631-E651 PolarHBondContact N-O 3.3Å; A631-E651 PolarHBondContact O-N 2.79Å; E651-W660 HydrophobicContact CB-CE3 3.67Å; E651-W660 HydrophobicContact CB-CZ3 4.15Å
652	R	97.8	Very high	90.2	Very high	67 Å²	67	62.5 Å²	62.5	25%	0.253	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	125.4	176.8	-173.3	-171.7	76.7	-166.4	1.3	110.3	F628 L629 Y630 W660 T661 V663	F628-R652 HydrophobicContact CB-CG 3.61Å; F628-R652 HydrophobicContact CD1-CG 4.05Å; F628-R652 HydrophobicContact CG-CG 3.92Å; L629-R652 CarbonylContact O-C 3.54Å; L629-R652 WeakPolarHBondContact O-CA 3.27Å; Y630-R652 HydrophobicContact CD1-CB 4Å; Y630-R652 HydrophobicContact CD1-CG 4.04Å; Y630-R652 HydrophobicContact CD2-CG 4.43Å; Y630-R652 HydrophobicContact CE1-CB 3.85Å; Y630-R652 HydrophobicContact CE1-CG 3.63Å; Y630-R652 HydrophobicContact CE2-CG 4.07Å; Y630-R652 HydrophobicContact CG-CG 4.43Å; Y630-R652 VanDerWaalsContact OH-CD 3.3Å; Y630-R652 WeakPolarHBondContact OH-CD 3.13Å; R652-W660 CarbonylContact O-C 3.52Å; R652-W660 WeakPolarHBondContact O-CA 3.48Å; R652-T661 PolarHBondContact N-O 3.19Å; R652-T661 PolarHBondContact O-N 3.38Å; R652-V663 HydrophobicContact CB-CG1 3.92Å
653	Y	98.4	Very high	92.3	Very high	8 Å²	8	54.8 Å²	54.8	3%	0.031	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	132.8	174.5	173.8	-106.7	0	0	0	111.7	F583 M597 F628 L629 P655 D658 T659 W660	F583-Y653 HydrophobicContact CD1-CE1 4.43Å; F583-Y653 AromaticContact CE1-CE1 3.85Å; F583-Y653 HydrophobicContact CE1-CE1 3.85Å; F583-Y653 HydrophobicContact CZ-CE1 4.42Å; M597-Y653 HydrophobicContact CE-CD1 3.73Å; M597-Y653 HydrophobicContact CE-CD2 3.63Å; M597-Y653 HydrophobicContact CE-CE1 3.6Å; M597-Y653 HydrophobicContact CE-CE2 3.51Å; M597-Y653 HydrophobicContact CE-CG 3.74Å; M597-Y653 VanDerWaalsContact CE-CZ 3.49Å; F628-Y653 WeakPolarHBondContact CA-O 3.47Å; F628-Y653 WeakPolarHBondContact CB-O 3.47Å; L629-Y653 HydrophobicContact CB-CD1 4.28Å; L629-Y653 PolarHBondContact N-O 3.09Å; L629-Y653 VanDerWaalsContact N-O 3.16Å; L629-Y653 PolarHBondContact O-N 2.82Å; Y653-P655 HydrophobicContact CD1-CB 4.47Å; Y653-P655 HydrophobicContact CE1-CB 3.78Å; Y653-D658 WeakPolarHBondContact CE2-OD1 3.45Å; Y653-D658 PolarHBondContact OH-OD1 2.7Å; Y653-D658 VanDerWaalsContact OH-OD1 3.07Å; Y653-T659 WeakPolarHBondContact CA-O 3.43Å; Y653-W660 HydrophobicContact CD2-CD2 4.17Å; Y653-W660 AromaticContact CD2-CE2 3.86Å; Y653-W660 HydrophobicContact CD2-CG 4.31Å; Y653-W660 HydrophobicContact CD2-CZ2 4.37Å; Y653-W660 AromaticContact CD2-NE1 3.73Å; Y653-W660 HydrophobicContact CG-CD2 4.41Å; Y653-W660 HydrophobicContact CG-CZ2 4.32Å
654	D	96.6	Very high	94.3	Very high	36 Å²	36	52.5 Å²	52.5	19%	0.193	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	114.1	169.6	-172.8	-20.3	0	0	0	110.5	F628 K656 T657 D658 T659	F628-D654 HydrophobicContact CD1-CB 3.9Å; F628-D654 HydrophobicContact CE1-CB 3.8Å; D654-K656 PolarHBondContact O-N 3.49Å; D654-K656 VanDerWaalsContact OD1-CB 3.3Å; D654-K656 WeakPolarHBondContact OD1-CB 3.42Å; D654-K656 PolarHBondContact OD1-N 2.71Å; D654-T657 WeakPolarHBondContact CB-OG1 3.39Å; D654-T657 PolarHBondContact O-N 3.17Å; D654-D658 PolarHBondContact O-N 3.12Å; D654-T659 PolarHBondContact N-O 3.35Å
655	P	95.2	Very high	95.5	Very high	36 Å²	36	52 Å²	52	23%	0.234	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-9.8	179.1	32.2	-37.6	0	0	0	114.2	L578 N579 N627 Y653	L578-P655 HydrophobicContact CD2-CB 4.49Å; L578-P655 HydrophobicContact CD2-CG 4Å; N579-P655 WeakPolarHBondContact ND2-CG 3.31Å; N627-P655 WeakPolarHBondContact O-CD 3.41Å; N627-P655 WeakPolarHBondContact O-CG 3.37Å; Y653-P655 HydrophobicContact CD1-CB 4.47Å; Y653-P655 HydrophobicContact CE1-CB 3.78Å
656	K	93.4	Very high	96.2	Very high	137 Å²	137	43.8 Å²	43.8	60%	0.596	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-26.1	176.6	-64.1	-172.5	169	-168.9	0	112.8	E421 D654	E421-K656 IonicContact OE2-NZ 3.42Å; E421-K656 PolarHBondContact OE2-NZ 2.9Å; D654-K656 PolarHBondContact O-N 3.49Å; D654-K656 VanDerWaalsContact OD1-CB 3.3Å; D654-K656 WeakPolarHBondContact OD1-CB 3.42Å; D654-K656 PolarHBondContact OD1-N 2.71Å
657	T	96.4	Very high	96.5	Very high	83 Å²	83	45.5 Å²	45.5	51%	0.509	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.4	-10.7	-179.6	53.8	0	0	0	0	114	D654 T659	D654-T657 WeakPolarHBondContact CB-OG1 3.39Å; D654-T657 PolarHBondContact O-N 3.17Å; T657-T659 PolarHBondContact OG1-OG1 3.15Å
658	D	97.3	Very high	96.6	Very high	73 Å²	73	47.2 Å²	47.2	39%	0.39	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.9	50.6	-171.1	-166.5	28.7	0	0	0	111.7	A611 Y653 D654	A611-D658 WeakPolarHBondContact CB-O 3.41Å; A611-D658 VanDerWaalsContact CB-OD1 3.25Å; A611-D658 WeakPolarHBondContact CB-OD1 3.38Å; A611-D658 PolarHBondContact N-OD1 3.23Å; A611-D658 PolarHBondContact N-OD2 3.13Å; Y653-D658 WeakPolarHBondContact CE2-OD1 3.45Å; Y653-D658 PolarHBondContact OH-OD1 2.7Å; Y653-D658 VanDerWaalsContact OH-OD1 3.07Å; D654-D658 PolarHBondContact O-N 3.12Å
659	T	98.1	Very high	96.7	Very high	64 Å²	64	47.4 Å²	47.4	39%	0.393	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	141.8	-178.1	57	0	0	0	0	113.1	Y653 D654 T657	Y653-T659 WeakPolarHBondContact CA-O 3.43Å; D654-T659 PolarHBondContact N-O 3.35Å; T657-T659 PolarHBondContact OG1-OG1 3.15Å
660	W	98.4	Very high	96.7	Very high	37 Å²	37	47.2 Å²	47.2	14%	0.14	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	145.8	168.1	-65.5	87.6	0	0	0	111.5	V585 M597 A611 P612 M613 L629 A631 E651 R652 Y653	V585-W660 HydrophobicContact CG1-CH2 3.93Å; V585-W660 HydrophobicContact CG1-CZ2 4.29Å; M597-W660 HydrophobicContact CB-CZ2 4.48Å; M597-W660 HydrophobicContact CE-CZ2 3.71Å; M597-W660 HydrophobicContact SD-CH2 4.25Å; M597-W660 HydrophobicContact SD-CZ2 3.67Å; A611-W660 PolarHBondContact O-NE1 2.89Å; P612-W660 VanDerWaalsContact C-CD1 3.5Å; M613-W660 HydrophobicContact CG-CD2 3.78Å; M613-W660 VanDerWaalsContact CG-CE2 3.46Å; M613-W660 HydrophobicContact CG-CE3 4.01Å; M613-W660 HydrophobicContact CG-CH2 3.59Å; M613-W660 HydrophobicContact CG-CZ2 3.37Å; M613-W660 HydrophobicContact CG-CZ3 3.92Å; M613-W660 HydrophobicContact SD-CH2 3.89Å; M613-W660 HydrophobicContact SD-CZ2 4.15Å; M613-W660 HydrophobicContact SD-CZ3 4.29Å; L629-W660 HydrophobicContact CD2-CH2 3.49Å; L629-W660 VanDerWaalsContact CD2-CH2 3.49Å; L629-W660 HydrophobicContact CD2-CZ2 4.47Å; L629-W660 HydrophobicContact CD2-CZ3 3.9Å; A631-W660 HydrophobicContact CB-CH2 3.9Å; A631-W660 HydrophobicContact CB-CZ3 3.63Å; E651-W660 HydrophobicContact CB-CE3 3.67Å; E651-W660 HydrophobicContact CB-CZ3 4.15Å; R652-W660 CarbonylContact O-C 3.52Å; R652-W660 WeakPolarHBondContact O-CA 3.48Å; Y653-W660 HydrophobicContact CD2-CD2 4.17Å; Y653-W660 AromaticContact CD2-CE2 3.86Å; Y653-W660 HydrophobicContact CD2-CG 4.31Å; Y653-W660 HydrophobicContact CD2-CZ2 4.37Å; Y653-W660 AromaticContact CD2-NE1 3.73Å; Y653-W660 HydrophobicContact CG-CD2 4.41Å; Y653-W660 HydrophobicContact CG-CZ2 4.32Å
661	T	97.7	Very high	96.4	Very high	67 Å²	67	48.5 Å²	48.5	41%	0.411	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	131	173.1	-51.4	0	0	0	0	109.1	R652	R652-T661 PolarHBondContact N-O 3.19Å; R652-T661 PolarHBondContact O-N 3.38Å
662	T	97.5	Very high	96.3	Very high	87 Å²	87	49.6 Å²	49.6	53%	0.534	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	133.2	171.9	-51.2	0	0	0	0	110.2
663	V	97.6	Very high	96.2	Very high	14 Å²	14	46.8 Å²	46.8	9%	0.085	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	177.5	170.4	-64.8	0	0	0	0	108.8	Y630 V650 R652 S665 N705	Y630-V663 HydrophobicContact CD1-CG2 4.35Å; Y630-V663 HydrophobicContact CE1-CG2 4.42Å; V650-V663 HydrophobicContact CB-CG2 3.76Å; V650-V663 HydrophobicContact CG1-CG2 3.51Å; V650-V663 PolarHBondContact O-N 3.44Å; R652-V663 HydrophobicContact CB-CG1 3.92Å; V663-S665 PolarHBondContact O-N 2.9Å; V663-N705 WeakPolarHBondContact CB-OD1 3.23Å
664	S	97.3	Very high	96.2	Very high	39 Å²	39	46.7 Å²	46.7	27%	0.273	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-54.2	135.4	-175.9	-70.9	0	0	0	0	112.9	N705 W707	S664-N705 VanDerWaalsContact CB-O 3.27Å; S664-N705 WeakPolarHBondContact CB-O 3.48Å; S664-N705 PolarHBondContact N-OD1 3.42Å; S664-N705 PolarHBondContact OG-ND2 2.89Å; S664-N705 PolarHBondContact OG-O 2.78Å; S664-N705 PolarHBondContact OG-OD1 2.9Å; S664-W707 PolarHBondContact O-NE1 2.94Å
665	S	97.3	Very high	96.2	Very high	48 Å²	48	45.6 Å²	45.6	34%	0.336	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-67.1	155.8	175.8	-73.6	0	0	0	0	112.3	D648 C649 V663	D648-S665 WeakPolarHBondContact OD2-CB 3.37Å; D648-S665 PolarHBondContact OD2-OG 3.42Å; C649-S665 WeakPolarHBondContact CA-OG 3.28Å; V663-S665 PolarHBondContact O-N 2.9Å
666	L	97.2	Very high	96.3	Very high	7 Å²	7	45.1 Å²	45.1	4%	0.037	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-61.9	155	161.4	-59.3	174.8	0	0	0	111	V632 D648 V650 V668 R670 A684 W707	V632-L666 HydrophobicContact CG1-CD1 3.81Å; V632-L666 HydrophobicContact CG1-CD2 4.05Å; V632-L666 HydrophobicContact CG1-CG 4.19Å; D648-L666 PolarHBondContact O-N 2.83Å; V650-L666 HydrophobicContact CG2-CG 4.19Å; L666-V668 VanDerWaalsContact C-N 3.27Å; L666-V668 PolarHBondContact O-N 2.79Å; L666-R670 HydrophobicContact CD1-CG 3.62Å; L666-A684 HydrophobicContact CD2-CB 3.9Å; L666-W707 HydrophobicContact CD2-CD2 3.84Å; L666-W707 HydrophobicContact CD2-CE3 3.95Å; L666-W707 HydrophobicContact CD2-CH2 3.82Å; L666-W707 HydrophobicContact CD2-CZ2 3.69Å; L666-W707 HydrophobicContact CD2-CZ3 3.94Å
667	S	95.8	Very high	96.4	Very high	82 Å²	82	41.4 Å²	41.4	57%	0.573	26%	0.255	S	S	*	.	S	Bend	trans	-62.5	-30.7	173	56.3	0	0	0	0	113.7	E698	S667-E698 VanDerWaalsContact CB-OE2 3.25Å; S667-E698 WeakPolarHBondContact CB-OE2 3.22Å; S667-E698 PolarHBondContact N-OE2 2.86Å; S667-E698 PolarHBondContact OG-OE1 3.06Å; S667-E698 PolarHBondContact OG-OE2 3.02Å
668	V	93.3	Very high	96.3	Very high	46 Å²	46	37.5 Å²	37.5	28%	0.279	23%	0.231	S	C	.	.	S	Bend	trans	-131	127.1	-177.5	-178.1	0	0	0	0	110.8	L666 R670 D689 L694	L666-V668 VanDerWaalsContact C-N 3.27Å; L666-V668 PolarHBondContact O-N 2.79Å; V668-R670 PolarHBondContact O-N 2.85Å; V668-R670 PolarHBondContact O-NE 2.83Å; V668-D689 HydrophobicContact CG1-CB 3.96Å; V668-L694 HydrophobicContact CG1-CD1 4.31Å
669	P	94.5	Very high	96	Very high	57 Å²	57	35.2 Å²	35.2	37%	0.37	23%	0.225	S	C	.	.			trans	-60.6	126.2	171.6	-15.8	26.1	0	0	0	111.5	L646 S647 D648	L646-P669 HydrophobicContact CB-CB 3.99Å; S647-P669 WeakPolarHBondContact O-CA 3.25Å; D648-P669 HydrophobicContact CB-CB 4.3Å; D648-P669 HydrophobicContact CB-CG 4.08Å
670	R	94.5	Very high	95.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	22%	0.215	C	C	.	.			trans	-149.5	139.2	-171.5	59.3	179.1	84.2	-158.4	8.2	113.5	G634 S647 L666 V668 V673 G686 Y688 L694 T696 E698	G634-R670 PolarHBondContact N-O 2.87Å; S647-R670 PolarHBondContact O-N 3.13Å; L666-R670 HydrophobicContact CD1-CG 3.62Å; V668-R670 PolarHBondContact O-N 2.85Å; V668-R670 PolarHBondContact O-NE 2.83Å; R670-V673 HydrophobicContact CG-CB 4.17Å; R670-G686 VanDerWaalsContact CD-O 3.29Å; R670-G686 WeakPolarHBondContact CD-O 3.4Å; R670-G686 PolarHBondContact NH1-O 3.05Å; R670-Y688 VanDerWaalsContact CA-O 3.29Å; R670-Y688 WeakPolarHBondContact CA-O 3.36Å; R670-L694 HydrophobicContact CB-CD1 3.79Å; R670-T696 PolarHBondContact NH1-O 2.83Å; R670-T696 PolarHBondContact NH1-OG1 3Å; R670-T696 PolarHBondContact NH2-OG1 2.84Å; R670-E698 IonicContact CZ-OE1 2.68Å; R670-E698 VanDerWaalsContact CZ-OE1 3.26Å; R670-E698 IonicContact NE-OE1 3.3Å; R670-E698 IonicContact NH2-OE1 2.63Å; R670-E698 PolarHBondContact NH2-OE1 3.42Å
671	D	93.3	Very high	95.4	Very high	28 Å²	28	34.4 Å²	34.4	15%	0.15	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-102.6	165.2	167.7	88.8	-43.5	0	0	0	112.9	H635 L646 V673 G687 Y688	H635-D671 HydrophobicContact CB-CB 4.05Å; H635-D671 IonicContact CE1-OD2 2.72Å; H635-D671 IonicContact ND1-OD2 2.75Å; L646-D671 HydrophobicContact CD2-CB 3.73Å; D671-V673 PolarHBondContact O-N 2.8Å; D671-V673 VanDerWaalsContact O-N 3.12Å; D671-G687 CarbonylContact O-C 3.51Å; D671-G687 WeakPolarHBondContact O-CA 3.36Å; D671-Y688 PolarHBondContact N-O 2.83Å; D671-Y688 PolarHBondContact O-N 2.96Å
672	A	94.3	Very high	95.3	Very high	26 Å²	26	31.2 Å²	31.2	22%	0.215	20%	0.198	C	C	.	.	S	Bend	trans	51.8	35.3	-178.9	0	0	0	0	0	113.8	G619 A718 G719	G619-A672 VanDerWaalsContact O-CA 3.28Å; G619-A672 WeakPolarHBondContact O-CA 3.45Å; G619-A672 PolarHBondContact O-N 3.07Å; A672-A718 HydrophobicContact CB-CB 4.32Å; A672-G719 WeakPolarHBondContact O-CA 3.19Å; A672-G719 PolarHBondContact O-N 3.02Å
673	V	96.8	Very high	95.4	Very high	7 Å²	7	27.5 Å²	27.5	4%	0.042	17%	0.174	C	C	.	.			trans	-72	131.2	176	58.3	0	0	0	0	110.6	G621 V632 R670 D671 V675 A684	G621-V673 WeakPolarHBondContact CA-O 3.48Å; V632-V673 HydrophobicContact CG1-CG1 4.16Å; R670-V673 HydrophobicContact CG-CB 4.17Å; D671-V673 PolarHBondContact O-N 2.8Å; D671-V673 VanDerWaalsContact O-N 3.12Å; V673-V675 HydrophobicContact CG1-CG2 4.27Å; V673-V675 HydrophobicContact CG2-CG2 4.18Å; V673-A684 HydrophobicContact CG2-CB 3.97Å
674	G	96.9	Very high	95.4	Very high	7 Å²	7	26.9 Å²	26.9	7%	0.072	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	135.3	172	0	0	0	0	0	110	V685	G674-V685 PolarHBondContact N-O 3.22Å; G674-V685 VanDerWaalsContact N-O 3.14Å; G674-V685 PolarHBondContact O-N 2.95Å
675	V	97.6	Very high	95.4	Very high	13 Å²	13	25.1 Å²	25.1	8%	0.079	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	132.4	-176.9	-173.3	0	0	0	0	110.9	A623 V632 V673 Y683 A684	A623-V675 HydrophobicContact CB-CB 4.39Å; A623-V675 HydrophobicContact CB-CG1 3.71Å; V632-V675 HydrophobicContact CB-CG2 3.88Å; V632-V675 HydrophobicContact CG1-CG2 4.04Å; V632-V675 HydrophobicContact CG2-CG1 4.19Å; V632-V675 HydrophobicContact CG2-CG2 4.12Å; V673-V675 HydrophobicContact CG1-CG2 4.27Å; V673-V675 HydrophobicContact CG2-CG2 4.18Å; V675-Y683 VanDerWaalsContact CA-O 3.27Å; V675-Y683 WeakPolarHBondContact CA-O 3.31Å; V675-A684 HydrophobicContact CG2-CB 4.49Å
676	C	96.7	Very high	95.4	Very high	25 Å²	25	22.8 Å²	22.8	17%	0.169	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	159	175.4	-151.6	0	0	0	0	112.2	L441 L682 Y683 V722	L441-C676 HydrophobicContact CD1-CB 4.3Å; C676-L682 WeakPolarHBondContact O-CA 3.22Å; C676-Y683 PolarHBondContact N-O 2.92Å; C676-Y683 VanDerWaalsContact N-O 3.16Å; C676-Y683 PolarHBondContact O-N 3.32Å; C676-V722 HydrophobicContact CB-CG1 3.98Å
677	L	95.7	Very high	95.3	Very high	59 Å²	59	22.5 Å²	22.5	31%	0.309	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	121.5	171.8	176	63.8	0	0	0	109.3	Y625 R681 L682 V724	Y625-L677 HydrophobicContact CD1-CD1 4.49Å; Y625-L677 HydrophobicContact CD2-CD1 3.5Å; Y625-L677 HydrophobicContact CD2-CD2 3.85Å; Y625-L677 HydrophobicContact CD2-CG 4.36Å; Y625-L677 HydrophobicContact CE2-CD1 3.98Å; Y625-L677 HydrophobicContact CG-CD1 3.84Å; L677-R681 WeakPolarHBondContact CD1-O 3.35Å; L677-L682 HydrophobicContact CB-CD2 3.85Å; L677-L682 HydrophobicContact CD1-CD2 4.12Å; L677-V724 VanDerWaalsContact O-CG2 3.31Å; L677-V724 WeakPolarHBondContact O-CG2 3.29Å
678	L	94.8	Very high	95.3	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.005	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	117.3	170.3	-179.9	70.7	0	0	0	108.4	V438 L441 Y459 L461 D680 R681 Y683 V724	V438-L678 HydrophobicContact CB-CD1 4.25Å; V438-L678 HydrophobicContact CG2-CD1 3.86Å; V438-L678 HydrophobicContact CG2-CG 4.25Å; L441-L678 HydrophobicContact CB-CD1 4.46Å; L441-L678 HydrophobicContact CB-CD2 4.04Å; L441-L678 HydrophobicContact CD1-CB 4.28Å; Y459-L678 HydrophobicContact CD1-CD2 3.81Å; Y459-L678 HydrophobicContact CE1-CD2 3.92Å; L461-L678 HydrophobicContact CB-CD2 4.37Å; L678-D680 PolarHBondContact O-N 2.98Å; L678-R681 PolarHBondContact N-O 2.81Å; L678-R681 PolarHBondContact O-N 2.84Å; L678-Y683 HydrophobicContact CB-CD2 3.72Å; L678-Y683 HydrophobicContact CB-CE2 3.74Å; L678-Y683 HydrophobicContact CD2-CD2 4.46Å; L678-Y683 HydrophobicContact CD2-CE2 4.06Å; L678-Y683 HydrophobicContact CG-CE2 4.31Å; L678-V724 HydrophobicContact CB-CG2 4.09Å; L678-V724 HydrophobicContact CD1-CG1 3.94Å; L678-V724 HydrophobicContact CD1-CG2 3.79Å
679	G	90.9	Very high	95.2	Very high	25 Å²	25	22 Å²	22	26%	0.258	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.2	-117.6	-174.1	0	0	0	0	0	112.7	V438	V438-G679 VanDerWaalsContact CG1-CA 3.4Å
680	D	88.7	Confident	95	Very high	34 Å²	34	21.1 Å²	21.1	18%	0.182	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	7.9	-179.1	58.9	-30.4	0	0	0	113.8	K432 Y625 L678	K432-D680 WeakPolarHBondContact CD-OD2 3.49Å; K432-D680 WeakPolarHBondContact CE-OD1 3.46Å; K432-D680 VanDerWaalsContact CE-OD2 3.29Å; K432-D680 WeakPolarHBondContact CE-OD2 3.37Å; K432-D680 IonicContact NZ-OD1 3.5Å; K432-D680 PolarHBondContact NZ-OD1 3.41Å; K432-D680 IonicContact NZ-OD2 2.77Å; K432-D680 PolarHBondContact NZ-OD2 2.8Å; Y625-D680 WeakPolarHBondContact CE1-O 3.17Å; Y625-D680 PolarHBondContact OH-O 3.19Å; L678-D680 PolarHBondContact O-N 2.98Å
681	R	94.4	Very high	94.8	Very high	50 Å²	50	29.7 Å²	29.7	19%	0.189	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	143.6	-173.1	-65.9	179.4	173.2	-103.2	-19.2	113.4	L677 L678 Y683 S699 D701	L677-R681 WeakPolarHBondContact CD1-O 3.35Å; L678-R681 PolarHBondContact N-O 2.81Å; L678-R681 PolarHBondContact O-N 2.84Å; R681-Y683 HydrophobicContact CB-CD2 4.35Å; R681-Y683 HydrophobicContact CB-CE2 3.82Å; R681-S699 WeakPolarHBondContact CD-OG 3.46Å; R681-D701 IonicContact CZ-OD2 3.26Å; R681-D701 IonicContact NH2-OD2 2.64Å; R681-D701 PolarHBondContact NH2-OD2 2.87Å
682	L	97.3	Very high	94.7	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	121.9	170.6	-68.4	175.9	0	0	0	109.3	A623 Y625 Y630 C676 L677 S699 Y700	A623-L682 HydrophobicContact CB-CD2 3.73Å; Y625-L682 HydrophobicContact CD1-CG 4.41Å; Y630-L682 HydrophobicContact CD1-CD1 4Å; Y630-L682 HydrophobicContact CD2-CD1 3.47Å; Y630-L682 VanDerWaalsContact CD2-CD1 3.47Å; Y630-L682 HydrophobicContact CE1-CD1 4.4Å; Y630-L682 HydrophobicContact CE2-CD1 3.92Å; Y630-L682 HydrophobicContact CG-CD1 3.52Å; C676-L682 WeakPolarHBondContact O-CA 3.22Å; L677-L682 HydrophobicContact CB-CD2 3.85Å; L677-L682 HydrophobicContact CD1-CD2 4.12Å; L682-S699 CarbonylContact O-C 3.48Å; L682-S699 WeakPolarHBondContact O-CA 3.46Å; L682-Y700 HydrophobicContact CD1-CD1 4.42Å; L682-Y700 PolarHBondContact N-O 3.47Å; L682-Y700 PolarHBondContact O-N 2.9Å
683	Y	98.1	Very high	94.8	Very high	9 Å²	9	33 Å²	33	4%	0.035	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	123	178.3	-74.8	-103.6	0	0	0	110	L441 Y459 V675 C676 L678 R681 V697 E698 E710	L441-Y683 HydrophobicContact CD1-CD2 4.49Å; L441-Y683 HydrophobicContact CD1-CG 4.14Å; Y459-Y683 HydrophobicContact CE1-CE1 4.17Å; V675-Y683 VanDerWaalsContact CA-O 3.27Å; V675-Y683 WeakPolarHBondContact CA-O 3.31Å; C676-Y683 PolarHBondContact N-O 2.92Å; C676-Y683 VanDerWaalsContact N-O 3.16Å; C676-Y683 PolarHBondContact O-N 3.32Å; L678-Y683 HydrophobicContact CB-CD2 3.72Å; L678-Y683 HydrophobicContact CB-CE2 3.74Å; L678-Y683 HydrophobicContact CD2-CD2 4.46Å; L678-Y683 HydrophobicContact CD2-CE2 4.06Å; L678-Y683 HydrophobicContact CG-CE2 4.31Å; R681-Y683 HydrophobicContact CB-CD2 4.35Å; R681-Y683 HydrophobicContact CB-CE2 3.82Å; Y683-V697 HydrophobicContact CD1-CG1 3.88Å; Y683-E698 CarbonylContact C-O 3.57Å; Y683-E698 WeakPolarHBondContact CA-O 3.28Å; Y683-E710 HydrophobicContact CD1-CG 4.34Å; Y683-E710 HydrophobicContact CE1-CG 3.9Å
684	A	98.1	Very high	94.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	120.7	168.7	0	0	0	0	0	109	V632 L666 V673 V675 V697 E698 W707	V632-A684 HydrophobicContact CG1-CB 4.3Å; L666-A684 HydrophobicContact CD2-CB 3.9Å; V673-A684 HydrophobicContact CG2-CB 3.97Å; V675-A684 HydrophobicContact CG2-CB 4.49Å; A684-V697 CarbonylContact O-C 3.57Å; A684-V697 WeakPolarHBondContact O-CA 3.48Å; A684-E698 PolarHBondContact N-O 2.81Å; A684-E698 PolarHBondContact O-N 3.13Å; A684-W707 HydrophobicContact CB-CE3 4.49Å; A684-W707 HydrophobicContact CB-CH2 3.82Å; A684-W707 HydrophobicContact CB-CZ3 3.55Å
685	V	98	Very high	94.7	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.012	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	119.4	-163.5	172.1	0	0	0	0	110.1	L441 A443 W466 G674 V697 L713 V722	L441-V685 HydrophobicContact CD2-CG2 4.28Å; A443-V685 HydrophobicContact CB-CG1 4.47Å; W466-V685 HydrophobicContact CH2-CG1 4.04Å; W466-V685 HydrophobicContact CZ2-CG1 4.24Å; W466-V685 HydrophobicContact CZ2-CG2 4.43Å; G674-V685 PolarHBondContact N-O 3.22Å; G674-V685 VanDerWaalsContact N-O 3.14Å; G674-V685 PolarHBondContact O-N 2.95Å; V685-V697 HydrophobicContact CG1-CG2 4.35Å; V685-V697 HydrophobicContact CG2-CG1 3.91Å; V685-V697 HydrophobicContact CG2-CG2 4.29Å; V685-L713 HydrophobicContact CG1-CD1 3.78Å; V685-L713 HydrophobicContact CG1-CD2 4.09Å; V685-L713 HydrophobicContact CG1-CG 4.17Å; V685-V722 HydrophobicContact CB-CG1 4.39Å; V685-V722 HydrophobicContact CB-CG2 4.03Å; V685-V722 HydrophobicContact CG1-CG2 3.99Å; V685-V722 HydrophobicContact CG2-CG1 4.17Å
686	G	96.8	Very high	94.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.205	C	C	.	.			trans	62.8	-143.3	178	0	0	0	0	0	113	R670 L694 T696	R670-G686 VanDerWaalsContact CD-O 3.29Å; R670-G686 WeakPolarHBondContact CD-O 3.4Å; R670-G686 PolarHBondContact NH1-O 3.05Å; G686-L694 WeakPolarHBondContact CA-O 3.42Å; G686-T696 PolarHBondContact N-O 2.79Å; G686-T696 VanDerWaalsContact N-O 3.09Å
687	G	95.8	Very high	94.7	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.01	20%	0.198	C	C	.	.			trans	108.8	-171.8	-171.4	0	0	0	0	0	112.3	D671 L694 R717	D671-G687 CarbonylContact O-C 3.51Å; D671-G687 WeakPolarHBondContact O-CA 3.36Å; G687-L694 PolarHBondContact O-N 2.81Å; G687-R717 PolarHBondContact N-O 3.15Å
688	Y	94	Very high	94.8	Very high	74 Å²	74	35.3 Å²	35.3	29%	0.29	18%	0.184	S	C	.	.	B	Isolated β-bridge	trans	-131.4	131	178.6	176	-109.5	0	0	0	110.8	R670 D671 G690 S692 Y693	R670-Y688 VanDerWaalsContact CA-O 3.29Å; R670-Y688 WeakPolarHBondContact CA-O 3.36Å; D671-Y688 PolarHBondContact N-O 2.83Å; D671-Y688 PolarHBondContact O-N 2.96Å; Y688-G690 VanDerWaalsContact CE1-CA 3.42Å; Y688-G690 VanDerWaalsContact CZ-C 3.46Å; Y688-G690 VanDerWaalsContact OH-C 3.3Å; Y688-G690 PolarHBondContact OH-O 2.76Å; Y688-S692 WeakPolarHBondContact CD2-O 3.35Å; Y688-Y693 AromaticContact CD2-CD1 3.94Å; Y688-Y693 HydrophobicContact CD2-CD1 3.94Å; Y688-Y693 HydrophobicContact CD2-CE1 4.01Å; Y688-Y693 HydrophobicContact CD2-CG 4.45Å; Y688-Y693 HydrophobicContact CE2-CE1 4.5Å
689	D	93.1	Very high	95	Very high	42 Å²	42	35.2 Å²	35.2	23%	0.225	18%	0.184	C	C	.	.			trans	-95.9	5.4	-174.3	64.6	21.5	0	0	0	113.9	L646 V668 Q691 S692 L694	L646-D689 WeakPolarHBondContact CD1-O 3.21Å; V668-D689 HydrophobicContact CG1-CB 3.96Å; D689-Q691 WeakPolarHBondContact OD1-CA 3.47Å; D689-Q691 WeakPolarHBondContact OD1-CB 3.12Å; D689-Q691 PolarHBondContact OD1-N 2.79Å; D689-S692 PolarHBondContact N-O 2.86Å; D689-S692 PolarHBondContact OD1-N 2.9Å; D689-S692 PolarHBondContact OD2-OG 2.85Å; D689-L694 HydrophobicContact CB-CD1 4.25Å; D689-L694 HydrophobicContact CB-CD2 4.07Å; D689-L694 HydrophobicContact CB-CG 4.29Å; D689-L694 WeakPolarHBondContact OD2-CD2 3.45Å
690	G	89.2	Confident	95.3	Very high	40 Å²	40	34.2 Å²	34.2	41%	0.412	17%	0.172	S	C	.	.	S	Bend	trans	92.9	-5.4	-174.8	0	0	0	0	0	114.4	L646 Y688	L646-G690 VanDerWaalsContact CD1-N 3.31Å; Y688-G690 VanDerWaalsContact CE1-CA 3.42Å; Y688-G690 VanDerWaalsContact CZ-C 3.46Å; Y688-G690 VanDerWaalsContact OH-C 3.3Å; Y688-G690 PolarHBondContact OH-O 2.76Å
691	Q	89.9	Confident	95.5	Very high	180 Å²	180	33.6 Å²	33.6	84%	0.841	17%	0.169	S	C	*	.	S	Bend	trans	-133	-44.4	178.8	-51.6	-175	33.4	0	0	111.6	D689	D689-Q691 WeakPolarHBondContact OD1-CA 3.47Å; D689-Q691 WeakPolarHBondContact OD1-CB 3.12Å; D689-Q691 PolarHBondContact OD1-N 2.79Å
692	S	92.6	Very high	95.4	Very high	52 Å²	52	32.4 Å²	32.4	36%	0.364	17%	0.17	S	C	.	.	S	Bend	trans	-132.9	149.3	-168.2	91.5	0	0	0	0	112.9	Y688 D689	Y688-S692 WeakPolarHBondContact CD2-O 3.35Å; D689-S692 PolarHBondContact N-O 2.86Å; D689-S692 PolarHBondContact OD1-N 2.9Å; D689-S692 PolarHBondContact OD2-OG 2.85Å
693	Y	94.8	Very high	94.9	Very high	71 Å²	71	38.5 Å²	38.5	28%	0.278	20%	0.198	S	C	.	.	B	Isolated β-bridge	trans	-82.8	113.8	169.1	-57.7	-76.6	0	0	0	108.6	M447 D448 Y688 G716 A718	M447-Y693 HydrophobicContact CB-CE1 4.08Å; M447-Y693 HydrophobicContact CG-CE1 3.69Å; M447-Y693 VanDerWaalsContact O-CD1 3.29Å; M447-Y693 WeakPolarHBondContact O-CD1 3.29Å; M447-Y693 HydrophobicContact SD-CE1 4.01Å; M447-Y693 PolarHBondContact SD-OH 3.34Å; M447-Y693 VanDerWaalsContact SD-OH 3.35Å; D448-Y693 VanDerWaalsContact C-CE2 3.49Å; D448-Y693 VanDerWaalsContact O-CE2 3.28Å; D448-Y693 WeakPolarHBondContact O-CE2 3.41Å; Y688-Y693 AromaticContact CD2-CD1 3.94Å; Y688-Y693 HydrophobicContact CD2-CD1 3.94Å; Y688-Y693 HydrophobicContact CD2-CE1 4.01Å; Y688-Y693 HydrophobicContact CD2-CG 4.45Å; Y688-Y693 HydrophobicContact CE2-CE1 4.5Å; Y693-G716 WeakPolarHBondContact O-CA 3.31Å; Y693-A718 HydrophobicContact CD1-CB 3.81Å; Y693-A718 HydrophobicContact CE1-CB 4.34Å
694	L	95.8	Very high	94.6	Very high	13 Å²	13	43 Å²	43	7%	0.068	22%	0.223	C	C	.	.			trans	-70.1	138.9	-168.1	-65.6	175.3	0	0	0	112	V668 R670 G686 G687 D689 G716 R717	V668-L694 HydrophobicContact CG1-CD1 4.31Å; R670-L694 HydrophobicContact CB-CD1 3.79Å; G686-L694 WeakPolarHBondContact CA-O 3.42Å; G687-L694 PolarHBondContact O-N 2.81Å; D689-L694 HydrophobicContact CB-CD1 4.25Å; D689-L694 HydrophobicContact CB-CD2 4.07Å; D689-L694 HydrophobicContact CB-CG 4.29Å; D689-L694 WeakPolarHBondContact OD2-CD2 3.45Å; L694-G716 VanDerWaalsContact O-CA 3.25Å; L694-G716 WeakPolarHBondContact O-CA 3.46Å; L694-R717 PolarHBondContact O-N 3.2Å; L694-R717 VanDerWaalsContact O-N 3.09Å
695	K	96.4	Very high	94.5	Very high	108 Å²	108	45.9 Å²	45.9	47%	0.47	24%	0.238	S	C	.	.			trans	-91.7	-21	164.8	-68.4	-174.2	176.9	-151.4	0	112.9	P712 L713 N714	K695-P712 HydrophobicContact CB-CB 4.11Å; K695-P712 WeakPolarHBondContact O-CA 3.47Å; K695-P712 WeakPolarHBondContact O-CB 3.4Å; K695-L713 WeakPolarHBondContact CD-O 3.5Å; K695-L713 PolarHBondContact O-N 2.88Å; K695-N714 VanDerWaalsContact CE-O 3.25Å; K695-N714 WeakPolarHBondContact CE-O 3.48Å; K695-N714 PolarHBondContact NZ-O 2.67Å
696	T	97.2	Very high	94.4	Very high	30 Å²	30	51.6 Å²	51.6	18%	0.184	27%	0.265	C	S	.	.			trans	-61.8	140.5	-171.7	55.8	0	0	0	0	111.3	R670 G686 E709	R670-T696 PolarHBondContact NH1-O 2.83Å; R670-T696 PolarHBondContact NH1-OG1 3Å; R670-T696 PolarHBondContact NH2-OG1 2.84Å; G686-T696 PolarHBondContact N-O 2.79Å; G686-T696 VanDerWaalsContact N-O 3.09Å; T696-E709 VanDerWaalsContact CG2-OE1 3.28Å; T696-E709 WeakPolarHBondContact CG2-OE1 3.33Å
697	V	97.9	Very high	94.5	Very high	3 Å²	3	53.4 Å²	53.4	2%	0.018	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	133.8	175.2	178.4	0	0	0	0	106.6	W466 Y683 A684 V685 E710 L713	W466-V697 HydrophobicContact CZ2-CG2 3.88Å; Y683-V697 HydrophobicContact CD1-CG1 3.88Å; A684-V697 CarbonylContact O-C 3.57Å; A684-V697 WeakPolarHBondContact O-CA 3.48Å; V685-V697 HydrophobicContact CG1-CG2 4.35Å; V685-V697 HydrophobicContact CG2-CG1 3.91Å; V685-V697 HydrophobicContact CG2-CG2 4.29Å; V697-E710 HydrophobicContact CB-CB 4.17Å; V697-E710 HydrophobicContact CG1-CB 3.97Å; V697-E710 HydrophobicContact CG1-CG 4.39Å; V697-E710 PolarHBondContact O-N 3.01Å; V697-L713 HydrophobicContact CG2-CG 4.17Å
698	E	98.1	Very high	94.6	Very high	5 Å²	5	56.1 Å²	56.1	2%	0.023	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	134.9	177.7	-58.5	176	-96.6	0	0	108.5	S667 R670 Y683 A684 W707 T708	S667-E698 VanDerWaalsContact CB-OE2 3.25Å; S667-E698 WeakPolarHBondContact CB-OE2 3.22Å; S667-E698 PolarHBondContact N-OE2 2.86Å; S667-E698 PolarHBondContact OG-OE1 3.06Å; S667-E698 PolarHBondContact OG-OE2 3.02Å; R670-E698 IonicContact CZ-OE1 2.68Å; R670-E698 VanDerWaalsContact CZ-OE1 3.26Å; R670-E698 IonicContact NE-OE1 3.3Å; R670-E698 IonicContact NH2-OE1 2.63Å; R670-E698 PolarHBondContact NH2-OE1 3.42Å; Y683-E698 CarbonylContact C-O 3.57Å; Y683-E698 WeakPolarHBondContact CA-O 3.28Å; A684-E698 PolarHBondContact N-O 2.81Å; A684-E698 PolarHBondContact O-N 3.13Å; E698-W707 HydrophobicContact CB-CD2 4.41Å; E698-W707 HydrophobicContact CB-CE3 3.58Å; E698-W707 HydrophobicContact CB-CZ3 4.18Å; E698-W707 WeakPolarHBondContact O-CZ3 3.27Å; E698-T708 CarbonylContact C-O 3.28Å; E698-T708 WeakPolarHBondContact CA-O 3.47Å
699	S	97.6	Very high	94.7	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	136.6	170.6	88.1	0	0	0	0	111.4	R681 L682 W707 T708 E710	R681-S699 WeakPolarHBondContact CD-OG 3.46Å; L682-S699 CarbonylContact O-C 3.48Å; L682-S699 WeakPolarHBondContact O-CA 3.46Å; S699-W707 CarbonylContact O-C 3.52Å; S699-W707 VanDerWaalsContact O-CA 3.31Å; S699-W707 WeakPolarHBondContact O-CA 3.43Å; S699-T708 PolarHBondContact N-O 2.66Å; S699-T708 PolarHBondContact O-N 3.02Å; S699-T708 PolarHBondContact O-OG1 3.09Å; S699-T708 PolarHBondContact OG-OG1 3.49Å; S699-T708 VanDerWaalsContact OG-OG1 3.11Å; S699-E710 VanDerWaalsContact CB-OE1 3.28Å; S699-E710 WeakPolarHBondContact CB-OE1 3.43Å; S699-E710 PolarHBondContact OG-OE1 2.75Å
700	Y	97.9	Very high	94.9	Very high	3 Å²	3	59 Å²	59	1%	0.012	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	125.9	-178.3	177.8	-109.3	0	0	0	111.8	Y630 L682 A702 N705 E706 W707	Y630-Y700 HydrophobicContact CD1-CE1 4.42Å; Y630-Y700 HydrophobicContact CE1-CD1 4.38Å; Y630-Y700 AromaticContact CE1-CE1 3.67Å; Y630-Y700 HydrophobicContact CE1-CE1 3.67Å; L682-Y700 HydrophobicContact CD1-CD1 4.42Å; L682-Y700 PolarHBondContact N-O 3.47Å; L682-Y700 PolarHBondContact O-N 2.9Å; Y700-A702 HydrophobicContact CD1-CB 4.15Å; Y700-A702 VanDerWaalsContact CE1-CA 3.5Å; Y700-A702 HydrophobicContact CE1-CB 3.62Å; Y700-N705 PolarHBondContact OH-OD1 3.32Å; Y700-N705 VanDerWaalsContact OH-OD1 3.13Å; Y700-E706 WeakPolarHBondContact CA-O 3.46Å; Y700-E706 WeakPolarHBondContact CD2-O 3.2Å; Y700-W707 AromaticContact CD2-CD1 3.9Å; Y700-W707 AromaticContact CD2-CD2 3.98Å; Y700-W707 HydrophobicContact CD2-CD2 3.98Å; Y700-W707 AromaticContact CD2-CE2 3.64Å; Y700-W707 HydrophobicContact CD2-CG 4.13Å; Y700-W707 HydrophobicContact CD2-CZ2 4.11Å; Y700-W707 AromaticContact CD2-NE1 3.57Å; Y700-W707 HydrophobicContact CG-CD2 4.31Å; Y700-W707 HydrophobicContact CG-CH2 4.44Å; Y700-W707 HydrophobicContact CG-CZ2 4.07Å
701	D	93.6	Very high	95.3	Very high	22 Å²	22	59.5 Å²	59.5	12%	0.118	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	110.3	168.4	-168.2	-38.3	0	0	0	110	R681 Q703 N704 N705 E706	R681-D701 IonicContact CZ-OD2 3.26Å; R681-D701 IonicContact NH2-OD2 2.64Å; R681-D701 PolarHBondContact NH2-OD2 2.87Å; D701-Q703 VanDerWaalsContact C-N 3.29Å; D701-Q703 PolarHBondContact O-N 2.87Å; D701-Q703 WeakPolarHBondContact OD1-CA 3.42Å; D701-Q703 WeakPolarHBondContact OD1-CB 3.4Å; D701-Q703 PolarHBondContact OD1-N 2.88Å; D701-N704 HydrophobicContact CB-CB 4.26Å; D701-N704 PolarHBondContact OD1-N 3.48Å; D701-N704 PolarHBondContact OD2-ND2 3.38Å; D701-N705 WeakPolarHBondContact O-CA 3.3Å; D701-N705 PolarHBondContact O-N 3.02Å; D701-E706 PolarHBondContact N-O 2.76Å; D701-E706 PolarHBondContact O-N 2.74Å
702	A	90.3	Very high	95.6	Very high	24 Å²	24	54.1 Å²	54.1	20%	0.198	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-7	179.1	0	0	0	0	0	114.5	Y625 Y700	Y625-A702 HydrophobicContact CD1-CB 3.82Å; Y625-A702 HydrophobicContact CE1-CB 3.55Å; Y700-A702 HydrophobicContact CD1-CB 4.15Å; Y700-A702 VanDerWaalsContact CE1-CA 3.5Å; Y700-A702 HydrophobicContact CE1-CB 3.62Å
703	Q	87.5	Confident	95.7	Very high	130 Å²	130	51.8 Å²	51.8	61%	0.607	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-48	174	-53.1	-172.8	18.8	0	0	110.1	D701	D701-Q703 VanDerWaalsContact C-N 3.29Å; D701-Q703 PolarHBondContact O-N 2.87Å; D701-Q703 WeakPolarHBondContact OD1-CA 3.42Å; D701-Q703 WeakPolarHBondContact OD1-CB 3.4Å; D701-Q703 PolarHBondContact OD1-N 2.88Å
704	N	91.9	Very high	95.7	Very high	102 Å²	102	52.6 Å²	52.6	55%	0.545	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-19.4	178.5	-65	-58.3	0	0	0	113.2	D701 E706	D701-N704 HydrophobicContact CB-CB 4.26Å; D701-N704 PolarHBondContact OD1-N 3.48Å; D701-N704 PolarHBondContact OD2-ND2 3.38Å; N704-E706 HydrophobicContact CB-CG 4.3Å
705	N	95.4	Very high	95.4	Very high	62 Å²	62	54.8 Å²	54.8	33%	0.332	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.5	51.5	-172.4	171.3	68.8	0	0	0	111.5	V663 S664 Y700 D701	V663-N705 WeakPolarHBondContact CB-OD1 3.23Å; S664-N705 VanDerWaalsContact CB-O 3.27Å; S664-N705 WeakPolarHBondContact CB-O 3.48Å; S664-N705 PolarHBondContact N-OD1 3.42Å; S664-N705 PolarHBondContact OG-ND2 2.89Å; S664-N705 PolarHBondContact OG-O 2.78Å; S664-N705 PolarHBondContact OG-OD1 2.9Å; Y700-N705 PolarHBondContact OH-OD1 3.32Å; Y700-N705 VanDerWaalsContact OH-OD1 3.13Å; D701-N705 WeakPolarHBondContact O-CA 3.3Å; D701-N705 PolarHBondContact O-N 3.02Å
706	E	97.2	Very high	95.3	Very high	122 Å²	122	50.1 Å²	50.1	57%	0.57	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.7	152.3	-177.4	-66.9	-175.9	150.1	0	0	111.1	Y700 D701 N704	Y700-E706 WeakPolarHBondContact CA-O 3.46Å; Y700-E706 WeakPolarHBondContact CD2-O 3.2Å; D701-E706 PolarHBondContact N-O 2.76Å; D701-E706 PolarHBondContact O-N 2.74Å; N704-E706 HydrophobicContact CB-CG 4.3Å
707	W	97.8	Very high	95.1	Very high	37 Å²	37	48.7 Å²	48.7	14%	0.14	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	132.1	171.1	-70.7	93.6	0	0	0	109.6	V632 V650 S664 L666 A684 E698 S699 Y700	V632-W707 HydrophobicContact CG1-CH2 4.41Å; V632-W707 HydrophobicContact CG2-CH2 4.49Å; V650-W707 HydrophobicContact CG1-CZ2 4.42Å; V650-W707 HydrophobicContact CG2-CZ2 3.92Å; S664-W707 PolarHBondContact O-NE1 2.94Å; L666-W707 HydrophobicContact CD2-CD2 3.84Å; L666-W707 HydrophobicContact CD2-CE3 3.95Å; L666-W707 HydrophobicContact CD2-CH2 3.82Å; L666-W707 HydrophobicContact CD2-CZ2 3.69Å; L666-W707 HydrophobicContact CD2-CZ3 3.94Å; A684-W707 HydrophobicContact CB-CE3 4.49Å; A684-W707 HydrophobicContact CB-CH2 3.82Å; A684-W707 HydrophobicContact CB-CZ3 3.55Å; E698-W707 HydrophobicContact CB-CD2 4.41Å; E698-W707 HydrophobicContact CB-CE3 3.58Å; E698-W707 HydrophobicContact CB-CZ3 4.18Å; E698-W707 WeakPolarHBondContact O-CZ3 3.27Å; S699-W707 CarbonylContact O-C 3.52Å; S699-W707 VanDerWaalsContact O-CA 3.31Å; S699-W707 WeakPolarHBondContact O-CA 3.43Å; Y700-W707 AromaticContact CD2-CD1 3.9Å; Y700-W707 AromaticContact CD2-CD2 3.98Å; Y700-W707 HydrophobicContact CD2-CD2 3.98Å; Y700-W707 AromaticContact CD2-CE2 3.64Å; Y700-W707 HydrophobicContact CD2-CG 4.13Å; Y700-W707 HydrophobicContact CD2-CZ2 4.11Å; Y700-W707 AromaticContact CD2-NE1 3.57Å; Y700-W707 HydrophobicContact CG-CD2 4.31Å; Y700-W707 HydrophobicContact CG-CH2 4.44Å; Y700-W707 HydrophobicContact CG-CZ2 4.07Å
708	T	97.7	Very high	95	Very high	59 Å²	59	49 Å²	49	36%	0.362	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	138.3	171.6	47.7	0	0	0	0	110.1	E698 S699 E710	E698-T708 CarbonylContact C-O 3.28Å; E698-T708 WeakPolarHBondContact CA-O 3.47Å; S699-T708 PolarHBondContact N-O 2.66Å; S699-T708 PolarHBondContact O-N 3.02Å; S699-T708 PolarHBondContact O-OG1 3.09Å; S699-T708 PolarHBondContact OG-OG1 3.49Å; S699-T708 VanDerWaalsContact OG-OG1 3.11Å; T708-E710 PolarHBondContact OG1-OE1 3.18Å
709	E	97.2	Very high	94.7	Very high	135 Å²	135	50.1 Å²	50.1	63%	0.631	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.5	133.3	170.7	-174.1	167.6	-155.4	0	0	109.9	T696	T696-E709 VanDerWaalsContact CG2-OE1 3.28Å; T696-E709 WeakPolarHBondContact CG2-OE1 3.33Å
710	E	96.9	Very high	94.6	Very high	42 Å²	42	50.5 Å²	50.5	20%	0.196	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	175.2	-174.8	-53.9	-66.4	152.2	0	0	110.6	Y683 V697 S699 T708 P712	Y683-E710 HydrophobicContact CD1-CG 4.34Å; Y683-E710 HydrophobicContact CE1-CG 3.9Å; V697-E710 HydrophobicContact CB-CB 4.17Å; V697-E710 HydrophobicContact CG1-CB 3.97Å; V697-E710 HydrophobicContact CG1-CG 4.39Å; V697-E710 PolarHBondContact O-N 3.01Å; S699-E710 VanDerWaalsContact CB-OE1 3.28Å; S699-E710 WeakPolarHBondContact CB-OE1 3.43Å; S699-E710 PolarHBondContact OG-OE1 2.75Å; T708-E710 PolarHBondContact OG1-OE1 3.18Å; E710-P712 WeakPolarHBondContact O-CD 3.26Å
711	V	96.7	Very high	94.5	Very high	50 Å²	50	51.3 Å²	51.3	30%	0.303	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-57.5	123	179.4	178.2	0	0	0	0	110.6	N464 W466	N464-V711 VanDerWaalsContact OD1-CG2 3.29Å; N464-V711 WeakPolarHBondContact OD1-CG2 3.48Å; W466-V711 VanDerWaalsContact CD1-O 3.31Å; W466-V711 PolarHBondContact NE1-O 2.95Å
712	P	97	Very high	94.7	Very high	67 Å²	67	50.9 Å²	50.9	44%	0.435	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-75	157.8	-172.1	29.4	-36.2	0	0	0	112.7	K695 E710	K695-P712 HydrophobicContact CB-CB 4.11Å; K695-P712 WeakPolarHBondContact O-CA 3.47Å; K695-P712 WeakPolarHBondContact O-CB 3.4Å; E710-P712 WeakPolarHBondContact O-CD 3.26Å
713	L	95.8	Very high	95	Very high	3 Å²	3	50.6 Å²	50.6	2%	0.016	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-58.3	148.4	171.9	-69.7	160.9	0	0	0	112	A443 W466 V685 K695 V697 I715 R717	A443-L713 HydrophobicContact CB-CD2 3.91Å; W466-L713 HydrophobicContact CD2-CD2 3.85Å; W466-L713 HydrophobicContact CE3-CD2 3.78Å; W466-L713 HydrophobicContact CH2-CD2 3.52Å; W466-L713 HydrophobicContact CZ2-CD2 3.64Å; W466-L713 HydrophobicContact CZ2-CG 4.21Å; W466-L713 HydrophobicContact CZ3-CD2 3.62Å; V685-L713 HydrophobicContact CG1-CD1 3.78Å; V685-L713 HydrophobicContact CG1-CD2 4.09Å; V685-L713 HydrophobicContact CG1-CG 4.17Å; K695-L713 WeakPolarHBondContact CD-O 3.5Å; K695-L713 PolarHBondContact O-N 2.88Å; V697-L713 HydrophobicContact CG2-CG 4.17Å; L713-I715 VanDerWaalsContact C-N 3.35Å; L713-I715 PolarHBondContact O-N 2.9Å; L713-R717 HydrophobicContact CD1-CG 3.79Å
714	N	93.4	Very high	95.4	Very high	87 Å²	87	45.9 Å²	45.9	47%	0.465	26%	0.255	S	S	.	.	S	Bend	trans	-64.3	-42.8	171.6	-64	-82.8	0	0	0	110.7	E457 W466 K695	E457-N714 VanDerWaalsContact OE2-CB 3.25Å; E457-N714 WeakPolarHBondContact OE2-CB 3.39Å; E457-N714 PolarHBondContact OE2-N 3.03Å; E457-N714 PolarHBondContact OE2-ND2 2.7Å; W466-N714 WeakPolarHBondContact CB-ND2 3.4Å; W466-N714 PolarHBondContact O-ND2 2.76Å; K695-N714 VanDerWaalsContact CE-O 3.25Å; K695-N714 WeakPolarHBondContact CE-O 3.48Å; K695-N714 PolarHBondContact NZ-O 2.67Å
715	I	90.6	Very high	95.6	Very high	59 Å²	59	41 Å²	41	30%	0.303	23%	0.229	S	C	.	.	S	Bend	trans	-119	123.9	-179.6	-54.7	177.9	0	0	0	110.6	D448 T455 E457 L713 R717	D448-I715 HydrophobicContact CB-CG2 4.18Å; T455-I715 HydrophobicContact CG2-CD1 4.19Å; E457-I715 PolarHBondContact OE1-N 3.11Å; E457-I715 VanDerWaalsContact OE1-N 3.1Å; L713-I715 VanDerWaalsContact C-N 3.35Å; L713-I715 PolarHBondContact O-N 2.9Å; I715-R717 PolarHBondContact O-NE 2.72Å; I715-R717 VanDerWaalsContact O-NE 3.17Å
716	G	93.1	Very high	95.3	Very high	10 Å²	10	43.6 Å²	43.6	10%	0.103	24%	0.237	C	C	.	.			trans	-70.2	131.8	178.7	0	0	0	0	0	111.6	Y693 L694	Y693-G716 WeakPolarHBondContact O-CA 3.31Å; L694-G716 VanDerWaalsContact O-CA 3.25Å; L694-G716 WeakPolarHBondContact O-CA 3.46Å
717	R	94.4	Very high	94.2	Very high	1 Å²	1	40.4 Å²	40.4	0%	0.004	22%	0.224	C	C	.	.			trans	-152.4	142.2	-165.1	59.3	-175.9	68	-144.4	11.1	112.8	G445 M447 T455 E457 G687 L694 L713 I715 A720	G445-R717 WeakPolarHBondContact O-CD 3.42Å; G445-R717 PolarHBondContact O-NH1 2.75Å; M447-R717 CarbonylContact O-C 3.55Å; M447-R717 VanDerWaalsContact O-CA 3.28Å; M447-R717 WeakPolarHBondContact O-CA 3.07Å; T455-R717 PolarHBondContact O-NH1 2.79Å; T455-R717 PolarHBondContact OG1-NH2 3.11Å; E457-R717 IonicContact OE1-CZ 3.89Å; E457-R717 IonicContact OE1-NE 3.09Å; E457-R717 IonicContact OE1-NH2 3.52Å; E457-R717 PolarHBondContact OE1-NH2 2.58Å; G687-R717 PolarHBondContact N-O 3.15Å; L694-R717 PolarHBondContact O-N 3.2Å; L694-R717 VanDerWaalsContact O-N 3.09Å; L713-R717 HydrophobicContact CD1-CG 3.79Å; I715-R717 PolarHBondContact O-NE 2.72Å; I715-R717 VanDerWaalsContact O-NE 3.17Å; R717-A720 HydrophobicContact CB-CB 4.45Å; R717-A720 HydrophobicContact CG-CB 3.92Å
718	A	94.5	Very high	92.2	Very high	8 Å²	8	45.7 Å²	45.7	7%	0.066	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-121.3	145.4	172.6	0	0	0	0	0	111.3	G446 M447 A672 Y693 A720	G446-A718 CarbonylContact C-O 3.47Å; G446-A718 WeakPolarHBondContact CA-O 3.41Å; M447-A718 PolarHBondContact N-O 2.73Å; M447-A718 PolarHBondContact O-N 3.35Å; A672-A718 HydrophobicContact CB-CB 4.32Å; Y693-A718 HydrophobicContact CD1-CB 3.81Å; Y693-A718 HydrophobicContact CE1-CB 4.34Å; A718-A720 PolarHBondContact O-N 2.8Å
719	G	92.9	Very high	91.9	Very high	29 Å²	29	45.1 Å²	45.1	30%	0.299	26%	0.258	S	S	.	.	S	Bend	trans	65.6	26.3	-176.4	0	0	0	0	0	113.4	A672	A672-G719 WeakPolarHBondContact O-CA 3.19Å; A672-G719 PolarHBondContact O-N 3.02Å
720	A	94.2	Very high	91.6	Very high	9 Å²	9	40.3 Å²	40.3	7%	0.074	24%	0.238	C	C	.	.			trans	-75	138.6	170	0	0	0	0	0	109.5	G445 R717 A718	G445-A720 VanDerWaalsContact O-CB 3.27Å; G445-A720 WeakPolarHBondContact O-CB 3.42Å; R717-A720 HydrophobicContact CB-CB 4.45Å; R717-A720 HydrophobicContact CG-CB 3.92Å; A718-A720 PolarHBondContact O-N 2.8Å
721	C	96.4	Very high	91.3	Very high	20 Å²	20	40.2 Å²	40.2	14%	0.135	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	130.3	172.1	-70.3	0	0	0	0	109.3	V444 F479 V481	V444-C721 HydrophobicContact CB-CB 4.37Å; V444-C721 PolarHBondContact N-O 2.95Å; V444-C721 PolarHBondContact O-N 3.41Å; V444-C721 VanDerWaalsContact O-N 3.14Å; F479-C721 HydrophobicContact CE2-CB 4.12Å; F479-C721 PolarHBondContact O-SG 2.85Å; V481-C721 HydrophobicContact CB-CB 3.69Å; V481-C721 HydrophobicContact CG2-CB 3.41Å; V481-C721 VanDerWaalsContact CG2-CB 3.41Å
722	V	97.4	Very high	91	Very high	13 Å²	13	39.6 Å²	39.6	8%	0.079	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	118	-175	-179.4	0	0	0	0	109.3	L441 Y442 C676 V685	L441-V722 HydrophobicContact CD1-CG1 4.01Å; L441-V722 HydrophobicContact CD2-CG1 3.64Å; L441-V722 HydrophobicContact CG-CG1 3.82Å; Y442-V722 WeakPolarHBondContact O-CA 3.33Å; C676-V722 HydrophobicContact CB-CG1 3.98Å; V685-V722 HydrophobicContact CB-CG1 4.39Å; V685-V722 HydrophobicContact CB-CG2 4.03Å; V685-V722 HydrophobicContact CG1-CG2 3.99Å; V685-V722 HydrophobicContact CG2-CG1 4.17Å
723	V	97.2	Very high	90.6	Very high	17 Å²	17	37.9 Å²	37.9	10%	0.103	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	152.9	-172.2	-61.4	0	0	0	0	110.8	Y442 V481 V483 L488	Y442-V723 PolarHBondContact N-O 3.36Å; Y442-V723 PolarHBondContact O-N 3.14Å; Y442-V723 VanDerWaalsContact O-N 3.17Å; V481-V723 HydrophobicContact CB-CG1 4.3Å; V481-V723 HydrophobicContact CG1-CG1 4.17Å; V481-V723 HydrophobicContact CG1-CG2 4.11Å; V483-V723 HydrophobicContact CG2-CB 3.76Å; V483-V723 HydrophobicContact CG2-CG1 4.42Å; V483-V723 HydrophobicContact CG2-CG2 3.67Å; L488-V723 HydrophobicContact CD2-CG2 3.68Å
724	V	96.5	Very high	90.3	Very high	32 Å²	32	40.3 Å²	40.3	19%	0.194	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	136.1	173.4	173.3	0	0	0	0	110.9	A440 L441 L677 L678	A440-V724 CarbonylContact O-C 3.57Å; A440-V724 WeakPolarHBondContact O-CA 3.43Å; L441-V724 HydrophobicContact CB-CG2 4.06Å; L441-V724 HydrophobicContact CD1-CG2 4.44Å; L441-V724 HydrophobicContact CG-CG2 4.38Å; L677-V724 VanDerWaalsContact O-CG2 3.31Å; L677-V724 WeakPolarHBondContact O-CG2 3.29Å; L678-V724 HydrophobicContact CB-CG2 4.09Å; L678-V724 HydrophobicContact CD1-CG1 3.94Å; L678-V724 HydrophobicContact CD1-CG2 3.79Å
725	V	94.9	Very high	90.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	127.6	174.4	-174.6	0	0	0	0	108.8	G439 A440 Y442 V483 N486 L488 P508 L727	G439-V725 WeakPolarHBondContact CA-O 3.36Å; A440-V725 PolarHBondContact N-O 3.11Å; A440-V725 PolarHBondContact O-N 3.35Å; Y442-V725 HydrophobicContact CD2-CB 3.97Å; Y442-V725 HydrophobicContact CD2-CG2 3.68Å; Y442-V725 HydrophobicContact CE2-CB 3.7Å; Y442-V725 HydrophobicContact CE2-CG2 3.84Å; Y442-V725 HydrophobicContact CG-CG2 4.24Å; V483-V725 HydrophobicContact CG1-CG2 4.16Å; V483-V725 HydrophobicContact CG2-CG2 4.06Å; N486-V725 HydrophobicContact CB-CG1 3.83Å; N486-V725 WeakPolarHBondContact O-CG1 3.43Å; L488-V725 HydrophobicContact CD2-CG2 3.51Å; P508-V725 HydrophobicContact CG-CG1 4.45Å; V725-L727 HydrophobicContact CG1-CD2 3.65Å; V725-L727 HydrophobicContact CG1-CG 4Å; V725-L727 PolarHBondContact O-N 3.48Å
726	K	88.8	Confident	90	Very high	116 Å²	116	35.2 Å²	35.2	50%	0.504	22%	0.216	S	C	.	.			trans	-94.1	84.5	175.7	-70.8	-167.3	170.7	-130.5	0	110.3	T437 V438 N486	T437-K726 PolarHBondContact O-NZ 2.71Å; V438-K726 WeakPolarHBondContact O-CE 3.12Å; N486-K726 PolarHBondContact ND2-O 2.87Å; N486-K726 PolarHBondContact OD1-O 2.91Å
727	L	75.2	Confident	89.8	Confident	54 Å²	54	37.3 Å²	37.3	28%	0.283	23%	0.226	S	C	.	.			trans	-75.8	140.4	169.6	-58.6	-175	0	0	0	110	Y442 N486 P508 V509 V725	Y442-L727 WeakPolarHBondContact OH-CD1 3.4Å; N486-L727 HydrophobicContact CB-CD2 4.04Å; P508-L727 HydrophobicContact CB-CD1 4.33Å; P508-L727 HydrophobicContact CG-CD1 4.23Å; P508-L727 HydrophobicContact CG-CD2 3.88Å; V509-L727 HydrophobicContact CG2-CD1 4.44Å; V509-L727 HydrophobicContact CG2-CD2 3.83Å; V725-L727 HydrophobicContact CG1-CD2 3.65Å; V725-L727 HydrophobicContact CG1-CG 4Å; V725-L727 PolarHBondContact O-N 3.48Å
728	P	54.8	Low	89.3	Confident	149 Å²	149	40.6 Å²	40.6	97%	0.968	25%	0.246	S	C	*	.			trans	-74.5	0	167.4	36	-36	0	0	0	111.6

Retrieved 728 of 728 residues in 341.1 ms (Link to these results)

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