A0A087XUV8_POEFO Loading...

Lysyl oxidase homolog

Mediates the post-translational oxidative deamination of lysine residues on target proteins leading to the formation of deaminated lysine (allysine).

AlphaFold DB , UniProt , Accession A0A087XUV8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 757 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.2	Very low	31	Very low	238 Å²	238	164.2 Å²	164.2	100%	1.172	78%	0.777	S	S	*	*				0	131.6	0	-90.5	176.9	-176.4	0	0	107.6
2	M	30.2	Very low	30.9	Very low	170 Å²	170	158.5 Å²	158.5	84%	0.837	78%	0.778	S	S	*	*			trans	64.5	132	168.8	-66.1	174.2	142.9	0	0	115.8
3	E	29.9	Very low	31.2	Very low	127 Å²	127	156.2 Å²	156.2	59%	0.593	78%	0.778	S	S	*	*			cis	-161	136.9	10.2	-123.1	177.6	138.2	0	0	110.4
4	K	31.1	Very low	31.2	Very low	177 Å²	177	152.9 Å²	152.9	77%	0.77	78%	0.777	S	S	*	*			trans	53.3	141.2	136.1	-73.4	170.6	-172.5	163.5	0	120
5	S	30.1	Very low	31.3	Very low	83 Å²	83	152.5 Å²	152.5	58%	0.58	78%	0.777	S	S	*	*			cis	175.3	128.9	-3.8	162.7	0	0	0	0	106.2
6	R	34.6	Very low	31.4	Very low	208 Å²	208	152 Å²	152	79%	0.785	78%	0.776	S	S	*	*			trans	44.9	135.9	131.3	-49.8	172.8	163.3	-168	-3	118.1
7	H	30.4	Very low	31.4	Very low	145 Å²	145	155 Å²	155	67%	0.671	78%	0.783	S	S	*	*				-167.9	132.3	56	-105.6	-56.5	0	0	0	112
8	T	31	Very low	31.3	Very low	104 Å²	104	150.6 Å²	150.6	64%	0.638	78%	0.783	S	S	*	*			trans	28.9	121.8	133.4	26.5	0	0	0	0	121.9
9	R	31.1	Very low	31.5	Very low	213 Å²	213	150.9 Å²	150.9	80%	0.804	79%	0.785	S	S	*	*				75.2	105.8	101.9	-85.7	-171.5	176.9	-175	-2	115
10	Q	30.7	Very low	31.5	Very low	162 Å²	162	156.2 Å²	156.2	76%	0.757	79%	0.794	S	S	*	*				74.1	116.8	98.4	-86.6	-176.1	-28.8	0	0	113.8
11	L	29.8	Very low	31.4	Very low	179 Å²	179	157.8 Å²	157.8	94%	0.937	80%	0.796	S	S	*	*				178.8	156.2	120.6	-98.8	151.6	0	0	0	112.1
12	A	30	Very low	31.8	Very low	96 Å²	96	151.9 Å²	151.9	79%	0.793	78%	0.775	S	S	*	*			trans	96.8	102.6	153.5	0	0	0	0	0	119.5
13	V	33.8	Very low	31.8	Very low	128 Å²	128	148.8 Å²	148.8	78%	0.776	77%	0.769	S	S	*	*			trans	-61.7	144.1	154.4	170.4	0	0	0	0	110.7
14	S	31.6	Very low	31.7	Very low	110 Å²	110	148 Å²	148	77%	0.769	78%	0.776	S	S	*	*			trans	170.7	107.7	130.7	-73.7	0	0	0	0	113.9
15	L	32.4	Very low	31.7	Very low	147 Å²	147	146.8 Å²	146.8	77%	0.77	78%	0.778	S	S	*	*				23.5	118.1	121.2	-91.9	150.4	0	0	0	120.7
16	L	33.4	Very low	31.5	Very low	145 Å²	145	147.4 Å²	147.4	76%	0.759	78%	0.782	S	S	*	*				153.6	128.3	110.2	-86.5	157.6	0	0	0	114.4
17	F	30.7	Very low	31.4	Very low	203 Å²	203	147 Å²	147	89%	0.89	79%	0.789	S	S	*	*			trans	19.2	135.9	145.3	-83.6	-98.5	0	0	0	122.2
18	G	31.3	Very low	31.4	Very low	76 Å²	76	146.4 Å²	146.4	78%	0.784	80%	0.796	S	S	*	*			trans	167	89.3	154	0	0	0	0	0	114.2
19	L	33.5	Very low	31.4	Very low	157 Å²	157	148.7 Å²	148.7	82%	0.822	81%	0.81	S	S	*	*			trans	-66.1	134.1	165.5	-84.9	144.3	0	0	0	110.4
20	W	33	Very low	31.3	Very low	255 Å²	255	143.1 Å²	143.1	97%	0.966	81%	0.809	S	S	*	*			trans	-165.7	109.3	143.8	-110.2	31	0	0	0	110.5
21	F	29.4	Very low	31.2	Very low	191 Å²	191	141.4 Å²	141.4	84%	0.838	81%	0.812	S	S	*	*			trans	-77.9	151.9	152.8	-100.4	-85.8	0	0	0	107.4
22	P	40.8	Very low	31.1	Very low	113 Å²	113	138.8 Å²	138.8	73%	0.734	81%	0.808	S	S	*	*				-154.1	173.3	65.5	37.1	-14.7	0	0	0	118.4
23	C	29.2	Very low	31.1	Very low	106 Å²	106	145.8 Å²	145.8	72%	0.716	81%	0.814	S	S	*	*			trans	93.1	110.7	145.9	-109.4	0	0	0	0	121.2
24	C	28.2	Very low	30.9	Very low	110 Å²	110	144.3 Å²	144.3	74%	0.743	82%	0.815	S	S	*	*				59	128	125.6	-67.7	0	0	0	0	118.5
25	L	30.3	Very low	30.7	Very low	152 Å²	152	144.6 Å²	144.6	80%	0.796	82%	0.817	S	S	*	*			cis	-166.1	136.3	39.8	-109.6	141.3	0	0	0	110.6
26	S	27.6	Very low	30.7	Very low	95 Å²	95	144.1 Å²	144.1	66%	0.664	82%	0.82	S	S	*	*			trans	47.5	112	141.1	57.1	0	0	0	0	122.1
27	Q	31.8	Very low	30.5	Very low	200 Å²	200	141 Å²	141	94%	0.935	82%	0.816	S	S	*	*				-135.6	142.1	129.6	-75.9	-170.8	5.7	0	0	110.1
28	T	29.8	Very low	30.4	Very low	133 Å²	133	137.4 Å²	137.4	82%	0.816	81%	0.812	S	S	*	*			trans	-82.2	140.7	-168.9	37.8	0	0	0	0	112.9
29	T	30.6	Very low	30.3	Very low	152 Å²	152	139.9 Å²	139.9	93%	0.933	81%	0.812	S	S	*	*			trans	-165.3	151.8	146	29.5	0	0	0	0	110.3
30	A	29.8	Very low	30.2	Very low	95 Å²	95	138.4 Å²	138.4	79%	0.785	81%	0.812	S	S	*	*			trans	-68.8	162.7	-152	0	0	0	0	0	117.4
31	P	28.2	Very low	29.9	Very low	127 Å²	127	131.6 Å²	131.6	83%	0.825	80%	0.804	S	S	*	*			trans	-83	135.9	-167.9	28.6	-22.6	0	0	0	113.1	R33	P31-R33 PolarHBondContact O-N 3.15Å
32	S	28.3	Very low	30.1	Very low	123 Å²	123	126.6 Å²	126.6	86%	0.86	80%	0.797	S	S	*	*			trans	-68.4	113.8	169.5	51.7	0	0	0	0	110.5
33	R	29.7	Very low	29.6	Very low	244 Å²	244	125 Å²	125	92%	0.921	79%	0.794	S	S	*	*			trans	-78.5	119.4	165.9	-143.1	173.9	-172	176.2	1.4	107.1	P31 S35	P31-R33 PolarHBondContact O-N 3.15Å; R33-S35 PolarHBondContact O-N 2.75Å
34	A	30.2	Very low	29.9	Very low	96 Å²	96	126 Å²	126	79%	0.793	80%	0.799	S	S	*	*			trans	-55.4	111.4	172.8	0	0	0	0	0	109.8	V36	A34-V36 PolarHBondContact O-N 2.99Å
35	S	27	Very low	31	Very low	116 Å²	116	129.9 Å²	129.9	81%	0.811	81%	0.807	S	S	*	*			trans	-77.2	103.1	170	54	0	0	0	0	108.3	R33 A37	R33-S35 PolarHBondContact O-N 2.75Å; S35-A37 PolarHBondContact O-N 2.78Å
36	V	31.4	Very low	32.8	Very low	137 Å²	137	129.9 Å²	129.9	83%	0.83	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-51.8	121.9	164.3	176.5	0	0	0	0	107.9	A34	A34-V36 PolarHBondContact O-N 2.99Å
37	A	30.3	Very low	35.4	Very low	81 Å²	81	126.4 Å²	126.4	67%	0.669	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-58.7	132.7	173.5	0	0	0	0	0	109.5	S35 T39	S35-A37 PolarHBondContact O-N 2.78Å; A37-T39 PolarHBondContact O-N 3.37Å
38	P	28.3	Very low	37.9	Very low	126 Å²	126	121.9 Å²	121.9	82%	0.818	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-65.1	128.8	173.4	26.6	-30.5	0	0	0	108.7
39	T	29.8	Very low	40.7	Very low	128 Å²	128	116 Å²	116	79%	0.785	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-51.5	142.4	168	-8.6	0	0	0	0	108.8	A37 S41	A37-T39 PolarHBondContact O-N 3.37Å; T39-S41 PolarHBondContact O-N 2.8Å
40	P	30.6	Very low	43.2	Very low	126 Å²	126	112.3 Å²	112.3	82%	0.818	69%	0.686	S	S	*	*			trans	-64.5	110	177.9	7	1.9	0	0	0	108.1	A42	P40-A42 PolarHBondContact O-N 3.12Å
41	S	27.4	Very low	45.8	Very low	112 Å²	112	108.1 Å²	108.1	78%	0.783	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-64.3	122.4	170.7	68.1	0	0	0	0	107.6	T39 A43	T39-S41 PolarHBondContact O-N 2.8Å; S41-A43 PolarHBondContact O-N 2.91Å
42	A	33	Very low	48.3	Very low	86 Å²	86	102.6 Å²	102.6	71%	0.711	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-46.1	133.3	165.7	0	0	0	0	0	109.2	P40	P40-A42 PolarHBondContact O-N 3.12Å
43	A	29.5	Very low	50.4	Low	81 Å²	81	97.9 Å²	97.9	67%	0.669	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-49.3	142.4	168.9	0	0	0	0	0	109.2	S41 Q45	S41-A43 PolarHBondContact O-N 2.91Å; A43-Q45 PolarHBondContact O-N 3.44Å
44	P	36.6	Very low	51.4	Low	126 Å²	126	92.7 Å²	92.7	82%	0.818	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-57.2	117.2	175.5	23.2	-30.4	0	0	0	107.8	Q46	P44-Q46 PolarHBondContact O-N 2.55Å
45	Q	51.8	Low	52.4	Low	192 Å²	192	92 Å²	92	90%	0.897	56%	0.556	S	S	*	*			trans	-60.7	111	177	-74.1	-175.9	-10.9	0	0	107.8	A43 L47	A43-Q45 PolarHBondContact O-N 3.44Å; Q45-L47 PolarHBondContact O-N 3.02Å
46	Q	67.2	Low	54.2	Low	151 Å²	151	90.3 Å²	90.3	71%	0.706	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-62.5	127.9	174.5	-172.5	172.2	3.4	0	0	108.8	P44 K48	P44-Q46 PolarHBondContact O-N 2.55Å; Q46-K48 PolarHBondContact O-N 2.98Å
47	L	82.2	Confident	55.5	Low	23 Å²	23	89.2 Å²	89.2	12%	0.12	52%	0.515	C	S	.	.	P	Polyproline II helix	trans	-58.2	122.5	176	-176.5	78.1	0	0	0	109.1	Q45 L65 F66 Y67 I126 D127 W134	Q45-L47 PolarHBondContact O-N 3.02Å; L47-L65 HydrophobicContact CD2-CD1 4.47Å; L47-L65 HydrophobicContact CD2-CD2 4.08Å; L47-F66 WeakPolarHBondContact CD1-O 3.47Å; L47-Y67 HydrophobicContact CD1-CD2 4.17Å; L47-I126 HydrophobicContact CD2-CG2 3.52Å; L47-D127 HydrophobicContact CD2-CB 4.28Å; L47-W134 HydrophobicContact CD1-CH2 3.67Å; L47-W134 HydrophobicContact CD1-CZ2 4.39Å; L47-W134 HydrophobicContact CD1-CZ3 4.38Å; L47-W134 HydrophobicContact CD2-CH2 3.84Å; L47-W134 HydrophobicContact CG-CH2 4.43Å
48	K	84.1	Confident	57.2	Low	104 Å²	104	87 Å²	87	45%	0.452	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	135.9	176.7	-52.4	177.4	176.3	178.4	0	109.7	Q46 F66 W71 E169	Q46-K48 PolarHBondContact O-N 2.98Å; K48-F66 HydrophobicContact CB-CB 3.87Å; K48-F66 HydrophobicContact CD-CB 4.42Å; K48-F66 HydrophobicContact CD-CD1 4.15Å; K48-F66 HydrophobicContact CD-CG 4.47Å; K48-F66 PolarHBondContact O-N 3.39Å; K48-W71 HydrophobicContact CB-CH2 3.98Å; K48-E169 IonicContact NZ-OE1 2.79Å; K48-E169 PolarHBondContact NZ-OE1 2.8Å
49	V	88.8	Confident	59.4	Low	9 Å²	9	81.4 Å²	81.4	6%	0.055	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	141.7	179.4	-173.7	0	0	0	0	108	I63 E64 L65 L87 Q90 L91	V49-I63 HydrophobicContact CG1-CG2 3.93Å; V49-E64 WeakPolarHBondContact CA-O 3.05Å; V49-L65 HydrophobicContact CB-CD2 4.24Å; V49-L65 HydrophobicContact CG1-CD2 3.96Å; V49-L65 HydrophobicContact CG2-CD2 3.66Å; V49-L87 HydrophobicContact CG1-CD2 3.76Å; V49-L87 HydrophobicContact CG2-CD2 4.46Å; V49-Q90 HydrophobicContact CG2-CB 4.5Å; V49-L91 HydrophobicContact CB-CD2 4.12Å; V49-L91 HydrophobicContact CB-CG 4.42Å; V49-L91 HydrophobicContact CG1-CD1 4.26Å; V49-L91 HydrophobicContact CG1-CD2 3.91Å; V49-L91 HydrophobicContact CG1-CG 3.99Å; V49-L91 WeakPolarHBondContact O-CD2 3.48Å
50	R	83.3	Confident	62.1	Low	75 Å²	75	76.7 Å²	76.7	28%	0.283	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	158.6	172.4	73.7	-177.5	-178.5	-170.8	-1.9	112.4	E64 W71	R50-E64 HydrophobicContact CG-CB 3.9Å; R50-E64 IonicContact CZ-OE2 3.73Å; R50-E64 PolarHBondContact N-O 2.78Å; R50-E64 IonicContact NE-OE2 2.71Å; R50-E64 PolarHBondContact NE-OE2 3.18Å; R50-E64 IonicContact NH2-OE2 3.17Å; R50-E64 PolarHBondContact NH2-OE2 3.45Å; R50-E64 PolarHBondContact O-N 2.83Å; R50-W71 HydrophobicContact CB-CH2 3.95Å; R50-W71 HydrophobicContact CB-CZ3 4.06Å; R50-W71 HydrophobicContact CG-CE3 3.99Å; R50-W71 HydrophobicContact CG-CH2 3.77Å; R50-W71 HydrophobicContact CG-CZ2 4.41Å; R50-W71 HydrophobicContact CG-CZ3 3.55Å
51	L	84.5	Confident	64.7	Low	8 Å²	8	70.7 Å²	70.7	4%	0.042	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	122.7	169.3	-60.8	177.7	0	0	0	110.3	R56 R62 L91 F93 V147	L51-R56 PolarHBondContact O-NE 2.99Å; L51-R56 PolarHBondContact O-NH2 3.37Å; L51-R62 WeakPolarHBondContact CA-O 3.46Å; L51-L91 HydrophobicContact CD1-CD1 4.12Å; L51-L91 HydrophobicContact CD2-CD1 3.54Å; L51-L91 HydrophobicContact CG-CD1 3.69Å; L51-L91 HydrophobicContact CG-CD2 4.38Å; L51-F93 HydrophobicContact CD1-CE2 4.33Å; L51-V147 HydrophobicContact CD2-CG2 3.41Å; L51-V147 VanDerWaalsContact CD2-CG2 3.41Å
52	A	80.9	Confident	67.9	Low	11 Å²	11	66.3 Å²	66.3	9%	0.091	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	175.4	-178.2	0	0	0	0	0	111.5	R62 E64	A52-R62 PolarHBondContact N-O 3.2Å; A52-R62 WeakPolarHBondContact O-CB 2.97Å; A52-R62 PolarHBondContact O-N 2.99Å; A52-E64 VanDerWaalsContact CB-CD 3.4Å; A52-E64 HydrophobicContact CB-CG 4Å; A52-E64 VanDerWaalsContact CB-OE1 3.26Å; A52-E64 WeakPolarHBondContact CB-OE1 3.44Å
53	G	71.3	Confident	70.8	Confident	24 Å²	24	62.2 Å²	62.2	25%	0.247	32%	0.317	C	S	.	.			trans	91.3	171.6	177.6	0	0	0	0	0	115.3	R56 Y105	G53-R56 WeakPolarHBondContact O-CD 3.44Å; G53-R56 WeakPolarHBondContact O-CG 3.16Å; G53-Y105 CarbonylContact C-O 3.5Å; G53-Y105 WeakPolarHBondContact CA-O 3.26Å
54	Y	52.1	Low	73.8	Confident	134 Å²	134	59.1 Å²	59.1	53%	0.525	29%	0.289	S	S	.	.	S	Bend	trans	-149.5	145.2	179.5	-169.4	-92.7	0	0	0	109.9	Y105 R337	Y54-Y105 PolarHBondContact N-O 3.23Å; Y54-Y105 CarbonylContact O-C 3.51Å; Y54-R337 HydrophobicContact CE2-CG 4.23Å; Y54-R337 VanDerWaalsContact OH-CD 3.24Å; Y54-R337 WeakPolarHBondContact OH-CD 3.41Å; Y54-R337 WeakPolarHBondContact OH-CG 3.01Å; Y54-R337 PolarHBondContact OH-NH1 2.75Å; Y54-R337 VanDerWaalsContact OH-NH1 3.12Å
55	P	50.4	Low	76.4	Confident	83 Å²	83	53.1 Å²	53.1	54%	0.539	25%	0.25	S	C	.	.	S	Bend	cis	-79.4	131	-2.7	31.2	-33.1	0	0	0	113.3	Y105	P55-Y105 WeakPolarHBondContact O-CD1 3.34Å; P55-Y105 VanDerWaalsContact O-CE1 3.23Å; P55-Y105 WeakPolarHBondContact O-CE1 3.27Å
56	R	65.7	Low	78	Confident	80 Å²	80	45.9 Å²	45.9	30%	0.302	22%	0.215	S	C	.	.			trans	-142.3	147.7	179.5	75.6	175.9	-173.7	77.2	-5.1	113	L51 G53 E60 Y105	L51-R56 PolarHBondContact O-NE 2.99Å; L51-R56 PolarHBondContact O-NH2 3.37Å; G53-R56 WeakPolarHBondContact O-CD 3.44Å; G53-R56 WeakPolarHBondContact O-CG 3.16Å; R56-E60 HydrophobicContact CB-CG 4.23Å; R56-E60 WeakPolarHBondContact CB-O 3.4Å; R56-E60 VanDerWaalsContact CD-O 3.32Å; R56-E60 WeakPolarHBondContact CD-O 3.41Å; R56-Y105 HydrophobicContact CB-CD1 3.61Å; R56-Y105 HydrophobicContact CB-CE1 3.79Å
57	K	57.8	Low	78.8	Confident	113 Å²	113	41.6 Å²	41.6	49%	0.491	19%	0.193	S	C	.	.			trans	-79.2	179.4	161.8	-62.3	-176	175.3	-155.4	0	112.1	N59 E60	K57-N59 VanDerWaalsContact C-N 3.29Å; K57-N59 VanDerWaalsContact CB-OD1 3.28Å; K57-N59 WeakPolarHBondContact CB-OD1 3.32Å; K57-N59 PolarHBondContact O-N 2.02Å; K57-E60 HydrophobicContact CB-CG 3.89Å; K57-E60 WeakPolarHBondContact CG-OE1 3.42Å; K57-E60 VanDerWaalsContact N-CG 3.33Å; K57-E60 PolarHBondContact N-OE1 3.46Å
58	H	65	Low	78.9	Confident	34 Å²	34	48.5 Å²	48.5	16%	0.157	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-23.3	-177.9	77.2	-90	0	0	0	113.9	D151 T360	H58-D151 IonicContact CE1-OD1 2.95Å; H58-D151 PolarHBondContact CE1-OD1 2.56Å; H58-D151 IonicContact NE2-OD1 3.61Å; H58-D151 PolarHBondContact NE2-OD1 3.43Å; H58-T360 WeakPolarHBondContact CB-OG1 3.27Å
59	N	75.2	Confident	78.5	Confident	9 Å²	9	45.2 Å²	45.2	5%	0.048	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	2.9	-178.8	64.6	-35.2	0	0	0	114.1	K57 F93 C149 D151	K57-N59 VanDerWaalsContact C-N 3.29Å; K57-N59 VanDerWaalsContact CB-OD1 3.28Å; K57-N59 WeakPolarHBondContact CB-OD1 3.32Å; K57-N59 PolarHBondContact O-N 2.02Å; N59-F93 VanDerWaalsContact CA-CZ 3.45Å; N59-F93 HydrophobicContact CB-CD1 4.37Å; N59-F93 HydrophobicContact CB-CE1 3.63Å; N59-F93 HydrophobicContact CB-CZ 3.82Å; N59-C149 HydrophobicContact CB-CB 4.24Å; N59-C149 PolarHBondContact ND2-O 3.46Å; N59-C149 WeakPolarHBondContact O-CA 3.23Å; N59-C149 WeakPolarHBondContact O-CB 2.97Å; N59-C149 PolarHBondContact O-N 2.76Å; N59-C149 PolarHBondContact O-SG 3.43Å; N59-D151 WeakPolarHBondContact CB-OD1 3.18Å; N59-D151 PolarHBondContact ND2-OD1 2.69Å; N59-D151 PolarHBondContact OD1-OD1 3.3Å
60	E	86.7	Confident	78.2	Confident	29 Å²	29	48.9 Å²	48.9	14%	0.136	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	159.5	-179.9	67.8	179	177	0	0	111.3	R56 K57 Y105 V147 V148	R56-E60 HydrophobicContact CB-CG 4.23Å; R56-E60 WeakPolarHBondContact CB-O 3.4Å; R56-E60 VanDerWaalsContact CD-O 3.32Å; R56-E60 WeakPolarHBondContact CD-O 3.41Å; K57-E60 HydrophobicContact CB-CG 3.89Å; K57-E60 WeakPolarHBondContact CG-OE1 3.42Å; K57-E60 VanDerWaalsContact N-CG 3.33Å; K57-E60 PolarHBondContact N-OE1 3.46Å; E60-Y105 HydrophobicContact CB-CE1 4.49Å; E60-Y105 VanDerWaalsContact CD-OH 3.26Å; E60-Y105 HydrophobicContact CG-CE1 3.97Å; E60-Y105 PolarHBondContact OE2-OH 3.44Å; E60-V147 CarbonylContact C-O 3.49Å; E60-V147 WeakPolarHBondContact CA-O 3.23Å; E60-V147 WeakPolarHBondContact CB-O 3.4Å; E60-V148 HydrophobicContact CB-CB 4.27Å; E60-V148 HydrophobicContact CB-CG1 4.09Å; E60-V148 HydrophobicContact CB-CG2 4.16Å
61	G	85.3	Confident	78.4	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	156.8	172.3	177.5	0	0	0	0	0	113.6	Y105 G146 V147	G61-Y105 VanDerWaalsContact CA-CD2 3.49Å; G61-G146 CarbonylContact O-C 3.49Å; G61-G146 WeakPolarHBondContact O-CA 3.24Å; G61-V147 PolarHBondContact N-O 3.01Å; G61-V147 PolarHBondContact O-N 3.04Å
62	R	93.6	Very high	78.7	Confident	20 Å²	20	47.9 Å²	47.9	8%	0.075	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	136.9	169.5	-177.5	179	63.7	-107.5	-0.3	109.2	L51 A52 E64 T73 Y105 G106 D144	L51-R62 WeakPolarHBondContact CA-O 3.46Å; A52-R62 PolarHBondContact N-O 3.2Å; A52-R62 WeakPolarHBondContact O-CB 2.97Å; A52-R62 PolarHBondContact O-N 2.99Å; R62-E64 IonicContact CZ-OE1 2.75Å; R62-E64 IonicContact NE-OE1 3.32Å; R62-E64 PolarHBondContact NE-OE1 3.27Å; R62-E64 IonicContact NH2-OE1 3.63Å; R62-E64 PolarHBondContact NH2-OE1 3.44Å; R62-T73 HydrophobicContact CG-CG2 4.43Å; R62-Y105 PolarHBondContact NH1-O 3.42Å; R62-Y105 VanDerWaalsContact NH1-O 3.17Å; R62-G106 WeakPolarHBondContact CD-O 3.37Å; R62-G106 PolarHBondContact NH1-O 3.14Å; R62-D144 HydrophobicContact CG-CB 4.08Å
63	I	94.2	Very high	79.4	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	130.8	-178.7	-52.3	116.9	0	0	0	109.8	V49 L65 I74 F79 L87 A145 V147	V49-I63 HydrophobicContact CG1-CG2 3.93Å; I63-L65 HydrophobicContact CG2-CD2 4.22Å; I63-I74 HydrophobicContact CB-CD1 4.18Å; I63-I74 HydrophobicContact CG2-CD1 3.63Å; I63-I74 HydrophobicContact CG2-CG1 4.28Å; I63-F79 HydrophobicContact CD1-CE2 4.23Å; I63-F79 HydrophobicContact CD1-CZ 3.82Å; I63-L87 HydrophobicContact CD1-CD1 4.06Å; I63-L87 HydrophobicContact CG1-CD1 4.1Å; I63-L87 HydrophobicContact CG2-CD1 4.14Å; I63-L87 HydrophobicContact CG2-CD2 3.79Å; I63-A145 HydrophobicContact CD1-CB 4Å; I63-A145 WeakPolarHBondContact CD1-O 3.43Å; I63-A145 PolarHBondContact N-O 3.06Å; I63-A145 VanDerWaalsContact N-O 3.15Å; I63-V147 HydrophobicContact CD1-CB 4.48Å; I63-V147 HydrophobicContact CD1-CG1 3.72Å; I63-V147 HydrophobicContact CG1-CB 4.48Å; I63-V147 HydrophobicContact CG1-CG1 3.96Å; I63-V147 HydrophobicContact CG1-CG2 4.02Å
64	E	93.4	Very high	80.6	Confident	16 Å²	16	46.2 Å²	46.2	8%	0.075	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	137	169	-68	177.8	-172.9	0	0	109.8	V49 R50 A52 R62 W71 G72 T73	V49-E64 WeakPolarHBondContact CA-O 3.05Å; R50-E64 HydrophobicContact CG-CB 3.9Å; R50-E64 IonicContact CZ-OE2 3.73Å; R50-E64 PolarHBondContact N-O 2.78Å; R50-E64 IonicContact NE-OE2 2.71Å; R50-E64 PolarHBondContact NE-OE2 3.18Å; R50-E64 IonicContact NH2-OE2 3.17Å; R50-E64 PolarHBondContact NH2-OE2 3.45Å; R50-E64 PolarHBondContact O-N 2.83Å; A52-E64 VanDerWaalsContact CB-CD 3.4Å; A52-E64 HydrophobicContact CB-CG 4Å; A52-E64 VanDerWaalsContact CB-OE1 3.26Å; A52-E64 WeakPolarHBondContact CB-OE1 3.44Å; R62-E64 IonicContact CZ-OE1 2.75Å; R62-E64 IonicContact NE-OE1 3.32Å; R62-E64 PolarHBondContact NE-OE1 3.27Å; R62-E64 IonicContact NH2-OE1 3.63Å; R62-E64 PolarHBondContact NH2-OE1 3.44Å; E64-W71 HydrophobicContact CB-CE3 3.81Å; E64-W71 HydrophobicContact CB-CZ3 4.38Å; E64-W71 VanDerWaalsContact O-CZ3 3.27Å; E64-W71 WeakPolarHBondContact O-CZ3 3.27Å; E64-G72 CarbonylContact C-O 3.54Å; E64-G72 VanDerWaalsContact CA-O 3.27Å; E64-G72 WeakPolarHBondContact CA-O 3.13Å; E64-T73 HydrophobicContact CG-CG2 4.06Å
65	L	91.9	Very high	82.7	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	135.7	179.4	-57.1	179.6	0	0	0	110.1	L47 V49 I63 W71 G72 I74 L87 W113 L114 I126 W134	L47-L65 HydrophobicContact CD2-CD1 4.47Å; L47-L65 HydrophobicContact CD2-CD2 4.08Å; V49-L65 HydrophobicContact CB-CD2 4.24Å; V49-L65 HydrophobicContact CG1-CD2 3.96Å; V49-L65 HydrophobicContact CG2-CD2 3.66Å; I63-L65 HydrophobicContact CG2-CD2 4.22Å; L65-W71 WeakPolarHBondContact O-CA 3.06Å; L65-G72 PolarHBondContact N-O 2.69Å; L65-G72 PolarHBondContact O-N 3.12Å; L65-I74 HydrophobicContact CD1-CD1 3.67Å; L65-I74 HydrophobicContact CD1-CG1 3.67Å; L65-I74 HydrophobicContact CD2-CD1 4.14Å; L65-I74 HydrophobicContact CG-CD1 3.93Å; L65-I74 HydrophobicContact CG-CG1 3.96Å; L65-L87 HydrophobicContact CD2-CD2 4.27Å; L65-W113 HydrophobicContact CD1-CB 4.49Å; L65-W113 VanDerWaalsContact O-CD1 3.24Å; L65-W113 PolarHBondContact O-NE1 3.21Å; L65-L114 HydrophobicContact CD1-CD1 3.44Å; L65-L114 VanDerWaalsContact CD1-CD1 3.44Å; L65-L114 HydrophobicContact CD1-CG 3.8Å; L65-I126 HydrophobicContact CD1-CG2 4.19Å; L65-I126 HydrophobicContact CD2-CG2 3.94Å; L65-W134 HydrophobicContact CD1-CH2 4.33Å; L65-W134 HydrophobicContact CD1-CZ3 4.17Å
66	F	83.9	Confident	84.9	Confident	41 Å²	41	36.7 Å²	36.7	18%	0.18	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	108.4	173.7	-168.5	-109.2	0	0	0	110.4	L47 K48 G69 W71 E169	L47-F66 WeakPolarHBondContact CD1-O 3.47Å; K48-F66 HydrophobicContact CB-CB 3.87Å; K48-F66 HydrophobicContact CD-CB 4.42Å; K48-F66 HydrophobicContact CD-CD1 4.15Å; K48-F66 HydrophobicContact CD-CG 4.47Å; K48-F66 PolarHBondContact O-N 3.39Å; F66-G69 VanDerWaalsContact CE2-C 3.43Å; F66-G69 VanDerWaalsContact CZ-CA 3.45Å; F66-W71 HydrophobicContact CB-CD2 3.96Å; F66-W71 HydrophobicContact CB-CE3 3.89Å; F66-W71 HydrophobicContact CB-CH2 3.91Å; F66-W71 HydrophobicContact CB-CZ2 3.95Å; F66-W71 HydrophobicContact CB-CZ3 3.85Å; F66-W71 AromaticContact CD2-CD1 3.64Å; F66-W71 AromaticContact CD2-CD2 3.88Å; F66-W71 HydrophobicContact CD2-CD2 3.88Å; F66-W71 AromaticContact CD2-CE2 3.69Å; F66-W71 AromaticContact CD2-CG 3.87Å; F66-W71 HydrophobicContact CD2-CG 3.87Å; F66-W71 HydrophobicContact CD2-CZ2 4.33Å; F66-W71 AromaticContact CD2-NE1 3.51Å; F66-W71 AromaticContact CE2-NE1 3.99Å; F66-W71 HydrophobicContact CG-CD2 4.4Å; F66-W71 HydrophobicContact CG-CZ2 4.39Å; F66-E169 WeakPolarHBondContact CE2-OE2 3.46Å; F66-E169 WeakPolarHBondContact CZ-OE2 3.32Å
67	Y	85.1	Confident	86.3	Confident	61 Å²	61	36 Å²	36	24%	0.239	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	133	-178.8	-172.6	-106.3	0	0	0	110.5	L47 G69 E70 W113 W134	L47-Y67 HydrophobicContact CD1-CD2 4.17Å; Y67-G69 PolarHBondContact O-N 3.32Å; Y67-E70 PolarHBondContact N-O 3.29Å; Y67-E70 PolarHBondContact O-N 3.16Å; Y67-E70 VanDerWaalsContact O-O 3.1Å; Y67-W113 HydrophobicContact CD1-CD2 4.34Å; Y67-W113 HydrophobicContact CD1-CE3 4.08Å; Y67-W113 HydrophobicContact CD1-CH2 4.26Å; Y67-W113 HydrophobicContact CD1-CZ2 4.5Å; Y67-W113 HydrophobicContact CD1-CZ3 4.05Å; Y67-W113 VanDerWaalsContact O-CZ2 3.28Å; Y67-W113 WeakPolarHBondContact O-CZ2 3.36Å; Y67-W134 HydrophobicContact CD1-CB 4.31Å; Y67-W134 AromaticContact CD1-CD2 3.86Å; Y67-W134 HydrophobicContact CD1-CD2 3.86Å; Y67-W134 AromaticContact CD1-CE3 3.54Å; Y67-W134 HydrophobicContact CD1-CE3 3.54Å; Y67-W134 HydrophobicContact CD1-CG 4.22Å; Y67-W134 HydrophobicContact CD1-CZ3 4.15Å; Y67-W134 AromaticContact CD2-CD2 3.99Å; Y67-W134 HydrophobicContact CD2-CD2 3.99Å; Y67-W134 AromaticContact CD2-CE3 3.86Å; Y67-W134 HydrophobicContact CD2-CE3 3.86Å; Y67-W134 AromaticContact CD2-CH2 3.88Å; Y67-W134 HydrophobicContact CD2-CH2 3.88Å; Y67-W134 AromaticContact CD2-CZ2 3.99Å; Y67-W134 HydrophobicContact CD2-CZ2 3.99Å; Y67-W134 AromaticContact CD2-CZ3 3.81Å; Y67-W134 HydrophobicContact CD2-CZ3 3.81Å; Y67-W134 HydrophobicContact CE1-CB 3.71Å; Y67-W134 AromaticContact CE1-CD2 3.72Å; Y67-W134 HydrophobicContact CE1-CD2 3.72Å; Y67-W134 AromaticContact CE1-CE3 3.92Å; Y67-W134 HydrophobicContact CE1-CE3 3.92Å; Y67-W134 AromaticContact CE1-CG 3.64Å; Y67-W134 HydrophobicContact CE1-CG 3.64Å; Y67-W134 AromaticContact CE2-CD2 3.86Å; Y67-W134 HydrophobicContact CE2-CD2 3.86Å; Y67-W134 AromaticContact CE2-CE2 3.78Å; Y67-W134 HydrophobicContact CE2-CE3 4.22Å; Y67-W134 HydrophobicContact CE2-CG 4.28Å; Y67-W134 HydrophobicContact CE2-CH2 4.41Å; Y67-W134 HydrophobicContact CE2-CZ2 4.05Å; Y67-W134 HydrophobicContact CE2-CZ3 4.48Å; Y67-W134 AromaticContact CG-CD2 4Å; Y67-W134 HydrophobicContact CG-CD2 4Å; Y67-W134 AromaticContact CG-CE3 3.51Å; Y67-W134 HydrophobicContact CG-CE3 3.51Å; Y67-W134 HydrophobicContact CG-CH2 4.18Å; Y67-W134 AromaticContact CG-CZ3 3.63Å; Y67-W134 HydrophobicContact CG-CZ3 3.63Å; Y67-W134 AromaticContact CZ-CD1 3.94Å; Y67-W134 AromaticContact CZ-CD2 3.72Å; Y67-W134 AromaticContact CZ-CE2 4Å; Y67-W134 AromaticContact CZ-CG 3.68Å
68	K	83.8	Confident	87.9	Confident	167 Å²	167	35.4 Å²	35.4	73%	0.726	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.1	37.2	-178	-68.3	-179.9	176.4	176.2	0	114.7
69	G	76.1	Confident	89.3	Confident	35 Å²	35	34.1 Å²	34.1	36%	0.361	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.7	10.8	174.4	0	0	0	0	0	115	F66 Y67	F66-G69 VanDerWaalsContact CE2-C 3.43Å; F66-G69 VanDerWaalsContact CZ-CA 3.45Å; Y67-G69 PolarHBondContact O-N 3.32Å
70	E	81.5	Confident	90.3	Very high	86 Å²	86	35.6 Å²	35.6	40%	0.402	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	141.3	180	-61.5	-177.2	161.7	0	0	111	Y67 W113 K170	Y67-E70 PolarHBondContact N-O 3.29Å; Y67-E70 PolarHBondContact O-N 3.16Å; Y67-E70 VanDerWaalsContact O-O 3.1Å; E70-W113 HydrophobicContact CB-CZ2 4.18Å; E70-W113 PolarHBondContact O-NE1 3.17Å; E70-W113 VanDerWaalsContact O-NE1 3.14Å; E70-K170 IonicContact OE1-NZ 2.99Å; E70-K170 PolarHBondContact OE1-NZ 3.24Å
71	W	87.1	Confident	90.7	Very high	61 Å²	61	37.7 Å²	37.7	23%	0.231	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	143.3	170.3	-72.2	98.5	0	0	0	110.1	K48 R50 E64 L65 F66	K48-W71 HydrophobicContact CB-CH2 3.98Å; R50-W71 HydrophobicContact CB-CH2 3.95Å; R50-W71 HydrophobicContact CB-CZ3 4.06Å; R50-W71 HydrophobicContact CG-CE3 3.99Å; R50-W71 HydrophobicContact CG-CH2 3.77Å; R50-W71 HydrophobicContact CG-CZ2 4.41Å; R50-W71 HydrophobicContact CG-CZ3 3.55Å; E64-W71 HydrophobicContact CB-CE3 3.81Å; E64-W71 HydrophobicContact CB-CZ3 4.38Å; E64-W71 VanDerWaalsContact O-CZ3 3.27Å; E64-W71 WeakPolarHBondContact O-CZ3 3.27Å; L65-W71 WeakPolarHBondContact O-CA 3.06Å; F66-W71 HydrophobicContact CB-CD2 3.96Å; F66-W71 HydrophobicContact CB-CE3 3.89Å; F66-W71 HydrophobicContact CB-CH2 3.91Å; F66-W71 HydrophobicContact CB-CZ2 3.95Å; F66-W71 HydrophobicContact CB-CZ3 3.85Å; F66-W71 AromaticContact CD2-CD1 3.64Å; F66-W71 AromaticContact CD2-CD2 3.88Å; F66-W71 HydrophobicContact CD2-CD2 3.88Å; F66-W71 AromaticContact CD2-CE2 3.69Å; F66-W71 AromaticContact CD2-CG 3.87Å; F66-W71 HydrophobicContact CD2-CG 3.87Å; F66-W71 HydrophobicContact CD2-CZ2 4.33Å; F66-W71 AromaticContact CD2-NE1 3.51Å; F66-W71 AromaticContact CE2-NE1 3.99Å; F66-W71 HydrophobicContact CG-CD2 4.4Å; F66-W71 HydrophobicContact CG-CZ2 4.39Å
72	G	91.6	Very high	91.2	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.01	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	167.7	175.5	0	0	0	0	0	111.5	E64 L65 K111 W113	E64-G72 CarbonylContact C-O 3.54Å; E64-G72 VanDerWaalsContact CA-O 3.27Å; E64-G72 WeakPolarHBondContact CA-O 3.13Å; L65-G72 PolarHBondContact N-O 2.69Å; L65-G72 PolarHBondContact O-N 3.12Å; G72-K111 CarbonylContact C-O 3.54Å; G72-K111 WeakPolarHBondContact CA-O 3.47Å; G72-W113 VanDerWaalsContact N-CD1 3.35Å
73	T	95.8	Very high	91.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	-178.8	-170	55	0	0	0	0	112.9	R62 E64 K111 W113 H141 D144	R62-T73 HydrophobicContact CG-CG2 4.43Å; E64-T73 HydrophobicContact CG-CG2 4.06Å; T73-K111 PolarHBondContact N-O 2.92Å; T73-W113 PolarHBondContact O-N 3.11Å; T73-H141 PolarHBondContact OG1-CE1 3.42Å; T73-H141 PolarHBondContact OG1-ND1 3.26Å; T73-D144 WeakPolarHBondContact CB-OD1 3.38Å; T73-D144 WeakPolarHBondContact CG2-OD2 3.24Å; T73-D144 PolarHBondContact OG1-OD1 3.25Å
74	I	96.9	Very high	91.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	134.4	172.9	-53.3	178.6	0	0	0	107.4	I63 L65 F79 L87 L114 V117 I126 A145	I63-I74 HydrophobicContact CB-CD1 4.18Å; I63-I74 HydrophobicContact CG2-CD1 3.63Å; I63-I74 HydrophobicContact CG2-CG1 4.28Å; L65-I74 HydrophobicContact CD1-CD1 3.67Å; L65-I74 HydrophobicContact CD1-CG1 3.67Å; L65-I74 HydrophobicContact CD2-CD1 4.14Å; L65-I74 HydrophobicContact CG-CD1 3.93Å; L65-I74 HydrophobicContact CG-CG1 3.96Å; I74-F79 HydrophobicContact CG2-CD2 3.95Å; I74-F79 HydrophobicContact CG2-CE2 3.86Å; I74-L87 HydrophobicContact CD1-CD1 3.96Å; I74-L87 HydrophobicContact CD1-CD2 4.24Å; I74-L114 WeakPolarHBondContact CA-O 3.34Å; I74-L114 HydrophobicContact CG1-CB 4.35Å; I74-L114 HydrophobicContact CG2-CB 4.1Å; I74-V117 HydrophobicContact CG2-CG2 3.88Å; I74-I126 HydrophobicContact CD1-CG1 4.42Å; I74-A145 WeakPolarHBondContact O-CB 3.28Å; I74-A145 PolarHBondContact O-N 3.27Å
75	C	96.6	Very high	91.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-71.9	148.8	173.9	-173.1	0	0	0	0	111.8	D77 I112 L114 D115 C139 E143	C75-D77 VanDerWaalsContact C-N 3.33Å; C75-D77 PolarHBondContact SG-N 3.32Å; C75-I112 HydrophobicContact CB-CG2 4.08Å; C75-L114 PolarHBondContact N-O 2.82Å; C75-D115 HydrophobicContact CB-CB 4.3Å; C75-C139 HydrophobicContact CB-CB 3.7Å; C75-C139 WeakPolarHBondContact CB-SG 3.17Å; C75-C139 WeakPolarHBondContact SG-CB 3.44Å; C75-C139 CovalentContact SG-SG 2.02Å; C75-C139 PolarHBondContact SG-SG 2.77Å; C75-E143 CarbonylContact C-O 3.06Å; C75-E143 WeakPolarHBondContact CA-O 3.35Å
76	D	95.3	Very high	91.6	Very high	17 Å²	17	38.8 Å²	38.8	9%	0.091	20%	0.199	C	C	.	.			trans	-80.7	-7.9	176.3	60.9	14.2	0	0	0	114.7	D78 F79 W99 H101 S102 E143 A145	D76-D78 PolarHBondContact O-N 2.84Å; D76-F79 WeakPolarHBondContact O-CB 3.36Å; D76-F79 PolarHBondContact O-N 2.91Å; D76-W99 HydrophobicContact CB-CZ3 3.95Å; D76-H101 HydrophobicContact CB-CB 3.97Å; D76-H101 VanDerWaalsContact OD2-CA 3.23Å; D76-H101 WeakPolarHBondContact OD2-CA 3.23Å; D76-H101 WeakPolarHBondContact OD2-CB 3.1Å; D76-S102 PolarHBondContact OD2-N 2.9Å; D76-E143 WeakPolarHBondContact CB-O 3.44Å; D76-E143 PolarHBondContact N-O 3.01Å; D76-E143 WeakPolarHBondContact OD1-CB 3.43Å; D76-A145 HydrophobicContact CB-CB 4.07Å
77	D	94.8	Very high	92.1	Very high	65 Å²	65	36.8 Å²	36.8	35%	0.348	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	126.2	172.7	-90.9	2.8	0	0	0	112.2	C75 F79 N116	C75-D77 VanDerWaalsContact C-N 3.33Å; C75-D77 PolarHBondContact SG-N 3.32Å; D77-F79 PolarHBondContact O-N 2.6Å; D77-N116 WeakPolarHBondContact O-CA 3.28Å
78	D	91.8	Very high	92.4	Very high	101 Å²	101	33.9 Å²	33.9	54%	0.54	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	15.4	-170.6	-63.2	-45.9	0	0	0	114.7	D76 N116 L118	D76-D78 PolarHBondContact O-N 2.84Å; D78-N116 PolarHBondContact OD2-ND2 2.8Å; D78-L118 HydrophobicContact CB-CD2 4.15Å
79	F	95.4	Very high	92.7	Very high	8 Å²	8	29.7 Å²	29.7	4%	0.035	16%	0.159	C	C	.	.			trans	-71.7	136.6	178.3	-160.9	-80	0	0	0	110	I63 I74 D76 D77 N83 A84 L87 W99 A145 V147	I63-F79 HydrophobicContact CD1-CE2 4.23Å; I63-F79 HydrophobicContact CD1-CZ 3.82Å; I74-F79 HydrophobicContact CG2-CD2 3.95Å; I74-F79 HydrophobicContact CG2-CE2 3.86Å; D76-F79 WeakPolarHBondContact O-CB 3.36Å; D76-F79 PolarHBondContact O-N 2.91Å; D77-F79 PolarHBondContact O-N 2.6Å; F79-N83 HydrophobicContact CD1-CB 4.17Å; F79-N83 HydrophobicContact CD2-CB 4.18Å; F79-N83 HydrophobicContact CE1-CB 3.88Å; F79-N83 HydrophobicContact CE2-CB 3.88Å; F79-N83 HydrophobicContact CG-CB 4.33Å; F79-N83 HydrophobicContact CZ-CB 3.74Å; F79-A84 HydrophobicContact CE1-CB 4.25Å; F79-L87 HydrophobicContact CE2-CD1 3.97Å; F79-L87 HydrophobicContact CZ-CD1 3.62Å; F79-W99 HydrophobicContact CB-CE3 4.27Å; F79-W99 HydrophobicContact CB-CH2 4.35Å; F79-W99 HydrophobicContact CB-CZ3 4.04Å; F79-W99 HydrophobicContact CD1-CB 4.11Å; F79-W99 AromaticContact CD1-CD2 3.65Å; F79-W99 HydrophobicContact CD1-CD2 3.65Å; F79-W99 AromaticContact CD1-CE3 3.52Å; F79-W99 HydrophobicContact CD1-CE3 3.52Å; F79-W99 AromaticContact CD1-CG 3.92Å; F79-W99 HydrophobicContact CD1-CG 3.92Å; F79-W99 HydrophobicContact CD1-CZ3 4.17Å; F79-W99 HydrophobicContact CE1-CB 3.81Å; F79-W99 HydrophobicContact CE1-CD2 4.28Å; F79-W99 HydrophobicContact CE1-CE3 4.25Å; F79-W99 HydrophobicContact CE1-CG 4.11Å; F79-W99 HydrophobicContact CG-CE3 4.24Å; F79-W99 HydrophobicContact CG-CZ3 4.48Å; F79-W99 WeakPolarHBondContact O-CH2 3.47Å; F79-W99 WeakPolarHBondContact O-CZ2 3.29Å; F79-A145 HydrophobicContact CD1-CB 4.41Å; F79-A145 HydrophobicContact CD2-CB 3.76Å; F79-A145 HydrophobicContact CE1-CB 4.49Å; F79-A145 HydrophobicContact CE2-CB 3.86Å; F79-A145 HydrophobicContact CG-CB 4.04Å; F79-A145 HydrophobicContact CZ-CB 4.22Å; F79-V147 HydrophobicContact CE1-CG1 4.39Å; F79-V147 HydrophobicContact CZ-CG1 4.21Å
80	S	95	Very high	93.3	Very high	40 Å²	40	29 Å²	29	28%	0.28	15%	0.146	S	C	.	.			trans	-135.1	170.5	-174.5	78.4	0	0	0	0	112.5	A82 N83 A84	S80-A82 PolarHBondContact O-N 3.2Å; S80-A82 WeakPolarHBondContact OG-CB 3.4Å; S80-A82 PolarHBondContact OG-N 2.86Å; S80-N83 WeakPolarHBondContact CA-OD1 3.21Å; S80-N83 WeakPolarHBondContact CB-OD1 3.02Å; S80-N83 PolarHBondContact N-OD1 3.13Å; S80-N83 WeakPolarHBondContact O-CB 3.18Å; S80-N83 PolarHBondContact O-N 3.31Å; S80-N83 VanDerWaalsContact O-N 3.07Å; S80-N83 PolarHBondContact O-OD1 3.37Å; S80-N83 PolarHBondContact OG-OD1 2.97Å; S80-A84 PolarHBondContact O-N 3.42Å; S80-A84 VanDerWaalsContact O-N 3.12Å
81	I	95.4	Very high	93.4	Very high	73 Å²	73	25 Å²	25	37%	0.374	13%	0.127	S	C	.	.	H	α-helix	trans	-61	-24.5	173.3	-163.6	65.4	0	0	0	112.4	A84 N85 A96 G98	I81-A84 HydrophobicContact CD1-CB 4.23Å; I81-A84 PolarHBondContact O-N 2.78Å; I81-N85 WeakPolarHBondContact O-CB 3.23Å; I81-N85 PolarHBondContact O-N 2.91Å; I81-N85 PolarHBondContact O-ND2 2.03Å; I81-A96 HydrophobicContact CD1-CB 3.89Å; I81-G98 VanDerWaalsContact CD1-CA 3.48Å
82	A	95.8	Very high	93	Very high	19 Å²	19	22 Å²	22	16%	0.157	12%	0.116	C	C	.	.	H	α-helix	trans	-68.2	-39.7	175.1	0	0	0	0	0	111.2	S80 A84 N85 V86 C119	S80-A82 PolarHBondContact O-N 3.2Å; S80-A82 WeakPolarHBondContact OG-CB 3.4Å; S80-A82 PolarHBondContact OG-N 2.86Å; A82-A84 VanDerWaalsContact C-N 3.35Å; A82-N85 PolarHBondContact O-N 3.49Å; A82-V86 PolarHBondContact O-N 3.22Å; A82-C119 HydrophobicContact CB-CB 4.47Å; A82-C119 VanDerWaalsContact CB-O 3.26Å; A82-C119 WeakPolarHBondContact CB-O 3.5Å
83	N	96.3	Very high	92.6	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-61.9	-46.2	172	-53.5	86.8	0	0	0	110.8	F79 S80 N85 V86 L87 V117 C119 I126	F79-N83 HydrophobicContact CD1-CB 4.17Å; F79-N83 HydrophobicContact CD2-CB 4.18Å; F79-N83 HydrophobicContact CE1-CB 3.88Å; F79-N83 HydrophobicContact CE2-CB 3.88Å; F79-N83 HydrophobicContact CG-CB 4.33Å; F79-N83 HydrophobicContact CZ-CB 3.74Å; S80-N83 WeakPolarHBondContact CA-OD1 3.21Å; S80-N83 WeakPolarHBondContact CB-OD1 3.02Å; S80-N83 PolarHBondContact N-OD1 3.13Å; S80-N83 WeakPolarHBondContact O-CB 3.18Å; S80-N83 PolarHBondContact O-N 3.31Å; S80-N83 VanDerWaalsContact O-N 3.07Å; S80-N83 PolarHBondContact O-OD1 3.37Å; S80-N83 PolarHBondContact OG-OD1 2.97Å; N83-N85 VanDerWaalsContact C-N 3.32Å; N83-N85 PolarHBondContact O-N 3.26Å; N83-V86 PolarHBondContact O-N 2.67Å; N83-L87 PolarHBondContact O-N 3.41Å; N83-V117 WeakPolarHBondContact ND2-CB 3.46Å; N83-V117 VanDerWaalsContact ND2-CG1 3.32Å; N83-V117 WeakPolarHBondContact ND2-CG1 3.46Å; N83-V117 PolarHBondContact ND2-O 2.78Å; N83-V117 PolarHBondContact OD1-O 2.46Å; N83-C119 PolarHBondContact ND2-N 2.74Å; N83-C119 PolarHBondContact ND2-SG 3.34Å; N83-I126 HydrophobicContact CB-CD1 4.48Å
84	A	95.8	Very high	92.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-60	-41	178.3	0	0	0	0	0	112.2	F79 S80 I81 A82 V86 L87 C88 A96 W99 V147	F79-A84 HydrophobicContact CE1-CB 4.25Å; S80-A84 PolarHBondContact O-N 3.42Å; S80-A84 VanDerWaalsContact O-N 3.12Å; I81-A84 HydrophobicContact CD1-CB 4.23Å; I81-A84 PolarHBondContact O-N 2.78Å; A82-A84 VanDerWaalsContact C-N 3.35Å; A84-V86 VanDerWaalsContact C-N 3.33Å; A84-V86 PolarHBondContact O-N 3.24Å; A84-L87 PolarHBondContact O-N 3.33Å; A84-C88 VanDerWaalsContact O-CB 3.29Å; A84-C88 WeakPolarHBondContact O-CB 3.49Å; A84-C88 PolarHBondContact O-N 2.76Å; A84-C88 PolarHBondContact O-SG 2.7Å; A84-C88 VanDerWaalsContact O-SG 3.36Å; A84-A96 HydrophobicContact CB-CB 3.51Å; A84-W99 HydrophobicContact CB-CB 3.96Å; A84-V147 HydrophobicContact CB-CB 4.36Å; A84-V147 HydrophobicContact CB-CG1 3.6Å
85	N	95.2	Very high	91.8	Very high	39 Å²	39	24.9 Å²	24.9	21%	0.209	13%	0.134	C	C	.	.	H	α-helix	trans	-62.6	-36.9	176.3	-84.4	-49.4	0	0	0	113.1	I81 A82 N83 R89 S95 A96	I81-N85 WeakPolarHBondContact O-CB 3.23Å; I81-N85 PolarHBondContact O-N 2.91Å; I81-N85 PolarHBondContact O-ND2 2.03Å; A82-N85 PolarHBondContact O-N 3.49Å; N83-N85 VanDerWaalsContact C-N 3.32Å; N83-N85 PolarHBondContact O-N 3.26Å; N85-R89 WeakPolarHBondContact O-CB 3.48Å; N85-R89 VanDerWaalsContact O-CG 3.28Å; N85-R89 WeakPolarHBondContact O-CG 3.13Å; N85-R89 PolarHBondContact O-N 3.5Å; N85-R89 PolarHBondContact O-NE 2.76Å; N85-R89 VanDerWaalsContact O-NE 3.11Å; N85-S95 WeakPolarHBondContact OD1-CB 3.13Å; N85-A96 PolarHBondContact OD1-N 3.18Å
86	V	95.2	Very high	91.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-66.3	-49.5	173.5	176	0	0	0	0	109.9	A82 N83 A84 R89 Q90 C119 E123 I126	A82-V86 PolarHBondContact O-N 3.22Å; N83-V86 PolarHBondContact O-N 2.67Å; A84-V86 VanDerWaalsContact C-N 3.33Å; A84-V86 PolarHBondContact O-N 3.24Å; V86-R89 PolarHBondContact O-N 2.8Å; V86-Q90 WeakPolarHBondContact O-CG 3.47Å; V86-Q90 PolarHBondContact O-N 3.15Å; V86-C119 HydrophobicContact CG2-CB 4.01Å; V86-E123 HydrophobicContact CG1-CB 4.25Å; V86-E123 HydrophobicContact CG2-CB 3.97Å; V86-E123 WeakPolarHBondContact CG2-OE2 2.98Å; V86-I126 HydrophobicContact CB-CD1 4.49Å; V86-I126 HydrophobicContact CG1-CB 4.39Å; V86-I126 HydrophobicContact CG1-CD1 4.37Å
87	L	93.8	Very high	91.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-63.8	-44.8	-178.8	-75.2	161.4	0	0	0	112.9	V49 I63 L65 I74 F79 N83 A84 R89 Q90 L91 I126 V147	V49-L87 HydrophobicContact CG1-CD2 3.76Å; V49-L87 HydrophobicContact CG2-CD2 4.46Å; I63-L87 HydrophobicContact CD1-CD1 4.06Å; I63-L87 HydrophobicContact CG1-CD1 4.1Å; I63-L87 HydrophobicContact CG2-CD1 4.14Å; I63-L87 HydrophobicContact CG2-CD2 3.79Å; L65-L87 HydrophobicContact CD2-CD2 4.27Å; I74-L87 HydrophobicContact CD1-CD1 3.96Å; I74-L87 HydrophobicContact CD1-CD2 4.24Å; F79-L87 HydrophobicContact CE2-CD1 3.97Å; F79-L87 HydrophobicContact CZ-CD1 3.62Å; N83-L87 PolarHBondContact O-N 3.41Å; A84-L87 PolarHBondContact O-N 3.33Å; L87-R89 VanDerWaalsContact C-N 3.33Å; L87-R89 PolarHBondContact O-N 3.43Å; L87-Q90 WeakPolarHBondContact O-CB 3.46Å; L87-Q90 PolarHBondContact O-N 3.01Å; L87-L91 WeakPolarHBondContact O-CB 3.42Å; L87-L91 WeakPolarHBondContact O-CD1 3.32Å; L87-L91 VanDerWaalsContact O-CG 3.25Å; L87-L91 WeakPolarHBondContact O-CG 2.92Å; L87-L91 PolarHBondContact O-N 3.45Å; L87-I126 HydrophobicContact CD1-CD1 4.16Å; L87-I126 HydrophobicContact CD1-CG1 4.41Å; L87-I126 HydrophobicContact CD2-CB 3.96Å; L87-I126 HydrophobicContact CD2-CD1 4.41Å; L87-I126 HydrophobicContact CD2-CG1 4Å; L87-I126 HydrophobicContact CD2-CG2 4.08Å; L87-I126 HydrophobicContact CG-CB 4.37Å; L87-I126 HydrophobicContact CG-CD1 3.98Å; L87-I126 HydrophobicContact CG-CG1 4.13Å; L87-V147 HydrophobicContact CB-CG1 4.22Å; L87-V147 HydrophobicContact CD1-CG1 4.2Å
88	C	92.4	Very high	91.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-61	-41.5	176.5	-74.1	0	0	0	0	111.5	A84 L91 G92 F93 A96 C149	A84-C88 VanDerWaalsContact O-CB 3.29Å; A84-C88 WeakPolarHBondContact O-CB 3.49Å; A84-C88 PolarHBondContact O-N 2.76Å; A84-C88 PolarHBondContact O-SG 2.7Å; A84-C88 VanDerWaalsContact O-SG 3.36Å; C88-L91 CarbonylContact O-C 3.59Å; C88-L91 PolarHBondContact O-N 2.7Å; C88-G92 PolarHBondContact O-N 3.17Å; C88-F93 CarbonylContact C-O 3.37Å; C88-F93 HydrophobicContact CB-CB 4.17Å; C88-F93 WeakPolarHBondContact O-CA 3.36Å; C88-F93 WeakPolarHBondContact O-CB 3.09Å; C88-F93 PolarHBondContact O-N 3.12Å; C88-A96 HydrophobicContact CB-CB 4.29Å; C88-C149 WeakPolarHBondContact CA-SG 3.04Å; C88-C149 HydrophobicContact CB-CB 3.78Å; C88-C149 WeakPolarHBondContact CB-SG 3.49Å; C88-C149 WeakPolarHBondContact SG-CA 3.26Å; C88-C149 WeakPolarHBondContact SG-CB 3.43Å; C88-C149 CovalentContact SG-SG 2.04Å; C88-C149 PolarHBondContact SG-SG 2.96Å
89	R	90.1	Very high	91.7	Very high	78 Å²	78	25.6 Å²	25.6	29%	0.294	14%	0.141	S	C	.	.	H	α-helix	trans	-67	-38.2	174	-70.8	-178.6	-56.3	146.2	17.5	113.1	N85 V86 L87 L91 G92 F93 V94 G121 G122 E123 I154	N85-R89 WeakPolarHBondContact O-CB 3.48Å; N85-R89 VanDerWaalsContact O-CG 3.28Å; N85-R89 WeakPolarHBondContact O-CG 3.13Å; N85-R89 PolarHBondContact O-N 3.5Å; N85-R89 PolarHBondContact O-NE 2.76Å; N85-R89 VanDerWaalsContact O-NE 3.11Å; V86-R89 PolarHBondContact O-N 2.8Å; L87-R89 VanDerWaalsContact C-N 3.33Å; L87-R89 PolarHBondContact O-N 3.43Å; R89-L91 VanDerWaalsContact C-N 3.26Å; R89-L91 PolarHBondContact O-N 3.15Å; R89-G92 PolarHBondContact O-N 2.86Å; R89-F93 WeakPolarHBondContact CA-O 3.01Å; R89-F93 WeakPolarHBondContact CG-O 3.38Å; R89-V94 WeakPolarHBondContact CG-O 3.3Å; R89-G121 PolarHBondContact NH2-O 2.88Å; R89-G122 VanDerWaalsContact NH2-C 3.32Å; R89-E123 PolarHBondContact NH2-O 2.84Å; R89-I154 HydrophobicContact CB-CD1 4.24Å; R89-I154 HydrophobicContact CG-CD1 4.34Å
90	Q	88.6	Confident	91.6	Very high	21 Å²	21	26 Å²	26	10%	0.098	14%	0.144	C	C	.	.	H	α-helix	trans	-64.2	-32.9	172.4	-76.2	-169.7	-91.5	0	0	113.3	V49 V86 L87 S125 I126 F157	V49-Q90 HydrophobicContact CG2-CB 4.5Å; V86-Q90 WeakPolarHBondContact O-CG 3.47Å; V86-Q90 PolarHBondContact O-N 3.15Å; L87-Q90 WeakPolarHBondContact O-CB 3.46Å; L87-Q90 PolarHBondContact O-N 3.01Å; Q90-S125 VanDerWaalsContact NE2-CB 3.34Å; Q90-S125 PolarHBondContact NE2-OG 2.82Å; Q90-I126 VanDerWaalsContact OE1-CB 3.31Å; Q90-F157 VanDerWaalsContact O-CZ 3.32Å; Q90-F157 WeakPolarHBondContact O-CZ 3.49Å
91	L	83.4	Confident	91.5	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-2.3	173.7	-71.6	163.3	0	0	0	112.3	V49 L51 L87 C88 R89 F93 V147 R153	V49-L91 HydrophobicContact CB-CD2 4.12Å; V49-L91 HydrophobicContact CB-CG 4.42Å; V49-L91 HydrophobicContact CG1-CD1 4.26Å; V49-L91 HydrophobicContact CG1-CD2 3.91Å; V49-L91 HydrophobicContact CG1-CG 3.99Å; V49-L91 WeakPolarHBondContact O-CD2 3.48Å; L51-L91 HydrophobicContact CD1-CD1 4.12Å; L51-L91 HydrophobicContact CD2-CD1 3.54Å; L51-L91 HydrophobicContact CG-CD1 3.69Å; L51-L91 HydrophobicContact CG-CD2 4.38Å; L87-L91 WeakPolarHBondContact O-CB 3.42Å; L87-L91 WeakPolarHBondContact O-CD1 3.32Å; L87-L91 VanDerWaalsContact O-CG 3.25Å; L87-L91 WeakPolarHBondContact O-CG 2.92Å; L87-L91 PolarHBondContact O-N 3.45Å; C88-L91 CarbonylContact O-C 3.59Å; C88-L91 PolarHBondContact O-N 2.7Å; R89-L91 VanDerWaalsContact C-N 3.26Å; R89-L91 PolarHBondContact O-N 3.15Å; L91-F93 HydrophobicContact CB-CD2 3.87Å; L91-F93 HydrophobicContact CB-CE2 4.07Å; L91-V147 HydrophobicContact CD1-CG2 4.41Å; L91-R153 PolarHBondContact O-NH1 3.39Å
92	G	77.3	Confident	91.3	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.8	9.8	175.6	0	0	0	0	0	116.2	C88 R89 R153 I154	C88-G92 PolarHBondContact O-N 3.17Å; R89-G92 PolarHBondContact O-N 2.86Å; G92-R153 WeakPolarHBondContact O-CA 3.39Å; G92-R153 WeakPolarHBondContact O-CD 3.48Å; G92-I154 PolarHBondContact O-N 3.3Å
93	F	83.7	Confident	90.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-91.2	151.7	172.3	-59.5	-82.7	0	0	0	110.8	L51 N59 C88 R89 L91 S95 C149 K150 E152 I154	L51-F93 HydrophobicContact CD1-CE2 4.33Å; N59-F93 VanDerWaalsContact CA-CZ 3.45Å; N59-F93 HydrophobicContact CB-CD1 4.37Å; N59-F93 HydrophobicContact CB-CE1 3.63Å; N59-F93 HydrophobicContact CB-CZ 3.82Å; C88-F93 CarbonylContact C-O 3.37Å; C88-F93 HydrophobicContact CB-CB 4.17Å; C88-F93 WeakPolarHBondContact O-CA 3.36Å; C88-F93 WeakPolarHBondContact O-CB 3.09Å; C88-F93 PolarHBondContact O-N 3.12Å; R89-F93 WeakPolarHBondContact CA-O 3.01Å; R89-F93 WeakPolarHBondContact CG-O 3.38Å; L91-F93 HydrophobicContact CB-CD2 3.87Å; L91-F93 HydrophobicContact CB-CE2 4.07Å; F93-S95 VanDerWaalsContact C-N 3.3Å; F93-S95 PolarHBondContact O-N 3.4Å; F93-C149 HydrophobicContact CB-CB 3.73Å; F93-C149 HydrophobicContact CD1-CB 4.04Å; F93-C149 HydrophobicContact CD2-CB 3.62Å; F93-C149 HydrophobicContact CE1-CB 4.49Å; F93-C149 HydrophobicContact CE2-CB 4.16Å; F93-C149 HydrophobicContact CG-CB 3.53Å; F93-K150 WeakPolarHBondContact CD1-O 3.19Å; F93-E152 WeakPolarHBondContact CA-O 3.28Å; F93-I154 WeakPolarHBondContact O-CD1 3.44Å
94	V	85.2	Confident	90.4	Very high	37 Å²	37	34.8 Å²	34.8	22%	0.224	18%	0.184	C	C	.	.	S	Bend	trans	-65.6	-33	-176	-63.3	0	0	0	0	113.2	R89 K150 E152 I154	R89-V94 WeakPolarHBondContact CG-O 3.3Å; V94-K150 HydrophobicContact CG2-CB 3.95Å; V94-K150 HydrophobicContact CG2-CD 3.99Å; V94-E152 HydrophobicContact CG1-CB 4.19Å; V94-E152 HydrophobicContact CG1-CG 3.7Å; V94-E152 HydrophobicContact CG2-CB 3.73Å; V94-E152 HydrophobicContact CG2-CG 4.04Å; V94-E152 PolarHBondContact N-O 3.07Å; V94-I154 HydrophobicContact CG1-CG1 4.26Å
95	S	90.8	Very high	89.6	Confident	24 Å²	24	35 Å²	35	17%	0.168	18%	0.184	C	C	.	.			trans	-168.3	172.7	-179.8	53.9	0	0	0	0	111.7	N85 F93 K150	N85-S95 WeakPolarHBondContact OD1-CB 3.13Å; F93-S95 VanDerWaalsContact C-N 3.3Å; F93-S95 PolarHBondContact O-N 3.4Å; S95-K150 PolarHBondContact O-N 3.27Å; S95-K150 VanDerWaalsContact OG-CD 3.23Å; S95-K150 WeakPolarHBondContact OG-CD 3.46Å; S95-K150 WeakPolarHBondContact OG-CE 3.4Å
96	A	93.8	Very high	88.8	Confident	11 Å²	11	34.6 Å²	34.6	9%	0.091	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	138.8	168.7	0	0	0	0	0	111.5	I81 A84 N85 C88 V148	I81-A96 HydrophobicContact CD1-CB 3.89Å; A84-A96 HydrophobicContact CB-CB 3.51Å; N85-A96 PolarHBondContact OD1-N 3.18Å; C88-A96 HydrophobicContact CB-CB 4.29Å; A96-V148 CarbonylContact C-O 3.46Å; A96-V148 WeakPolarHBondContact CA-O 3.11Å
97	T	91.9	Very high	88.3	Confident	84 Å²	84	39 Å²	39	52%	0.515	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	-25.7	164.7	51.1	0	0	0	0	111.5	V148 K150	T97-V148 PolarHBondContact N-O 3.35Å; T97-V148 VanDerWaalsContact OG1-CG1 3.28Å; T97-V148 WeakPolarHBondContact OG1-CG1 3.34Å; T97-V148 PolarHBondContact OG1-O 2.98Å; T97-V148 VanDerWaalsContact OG1-O 3.08Å; T97-K150 HydrophobicContact CG2-CB 4.29Å; T97-K150 HydrophobicContact CG2-CG 3.39Å
98	G	93.3	Very high	87.8	Confident	19 Å²	19	39 Å²	39	20%	0.196	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.5	179.6	-177	0	0	0	0	0	113.2	I81 V148	I81-G98 VanDerWaalsContact CD1-CA 3.48Å; G98-V148 PolarHBondContact N-O 2.79Å; G98-V148 PolarHBondContact O-N 3.07Å; G98-V148 VanDerWaalsContact O-O 3.06Å
99	W	96.8	Very high	87.2	Confident	84 Å²	84	46.4 Å²	46.4	32%	0.318	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	165.4	168.6	71.7	-85.2	0	0	0	109	D76 F79 A84 H101 G146	D76-W99 HydrophobicContact CB-CZ3 3.95Å; F79-W99 HydrophobicContact CB-CE3 4.27Å; F79-W99 HydrophobicContact CB-CH2 4.35Å; F79-W99 HydrophobicContact CB-CZ3 4.04Å; F79-W99 HydrophobicContact CD1-CB 4.11Å; F79-W99 AromaticContact CD1-CD2 3.65Å; F79-W99 HydrophobicContact CD1-CD2 3.65Å; F79-W99 AromaticContact CD1-CE3 3.52Å; F79-W99 HydrophobicContact CD1-CE3 3.52Å; F79-W99 AromaticContact CD1-CG 3.92Å; F79-W99 HydrophobicContact CD1-CG 3.92Å; F79-W99 HydrophobicContact CD1-CZ3 4.17Å; F79-W99 HydrophobicContact CE1-CB 3.81Å; F79-W99 HydrophobicContact CE1-CD2 4.28Å; F79-W99 HydrophobicContact CE1-CE3 4.25Å; F79-W99 HydrophobicContact CE1-CG 4.11Å; F79-W99 HydrophobicContact CG-CE3 4.24Å; F79-W99 HydrophobicContact CG-CZ3 4.48Å; F79-W99 WeakPolarHBondContact O-CH2 3.47Å; F79-W99 WeakPolarHBondContact O-CZ2 3.29Å; A84-W99 HydrophobicContact CB-CB 3.96Å; W99-H101 HydrophobicContact CH2-CB 4.16Å; W99-H101 HydrophobicContact CZ3-CB 3.72Å; W99-G146 CarbonylContact C-O 3.5Å; W99-G146 VanDerWaalsContact CA-O 3.29Å; W99-G146 WeakPolarHBondContact CA-O 3.35Å; W99-G146 WeakPolarHBondContact CB-O 3.32Å
100	T	93.4	Very high	87.1	Confident	15 Å²	15	45.9 Å²	45.9	9%	0.092	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	137.8	-171.4	65.6	0	0	0	0	110.1	K104 Y105 A145 G146 V148	T100-K104 HydrophobicContact CG2-CD 3.39Å; T100-Y105 HydrophobicContact CG2-CE2 3.91Å; T100-Y105 VanDerWaalsContact OG1-CE2 3.3Å; T100-Y105 WeakPolarHBondContact OG1-CE2 3.38Å; T100-A145 WeakPolarHBondContact O-CA 3.45Å; T100-G146 PolarHBondContact N-O 3.32Å; T100-G146 PolarHBondContact O-N 2.76Å; T100-G146 VanDerWaalsContact OG1-CA 3.23Å; T100-G146 WeakPolarHBondContact OG1-CA 3.3Å; T100-G146 PolarHBondContact OG1-N 2.97Å; T100-G146 PolarHBondContact OG1-O 3.12Å; T100-V148 HydrophobicContact CG2-CG2 3.97Å
101	H	93.7	Very high	87.2	Confident	116 Å²	116	49.9 Å²	49.9	54%	0.537	28%	0.284	S	S	.	.			trans	-102.2	-179.7	176	62.3	56.9	0	0	0	111	D76 W99 A103 K104	D76-H101 HydrophobicContact CB-CB 3.97Å; D76-H101 VanDerWaalsContact OD2-CA 3.23Å; D76-H101 WeakPolarHBondContact OD2-CA 3.23Å; D76-H101 WeakPolarHBondContact OD2-CB 3.1Å; W99-H101 HydrophobicContact CH2-CB 4.16Å; W99-H101 HydrophobicContact CZ3-CB 3.72Å; H101-A103 VanDerWaalsContact C-N 3.31Å; H101-A103 PolarHBondContact O-N 3.3Å; H101-K104 PolarHBondContact O-N 3.02Å
102	S	91.6	Very high	87.8	Confident	76 Å²	76	50.8 Å²	50.8	53%	0.531	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	40.9	170.7	-46.8	0	0	0	0	114	D76 K104 D142	D76-S102 PolarHBondContact OD2-N 2.9Å; S102-K104 VanDerWaalsContact C-N 3.26Å; S102-K104 PolarHBondContact O-N 3.39Å; S102-K104 VanDerWaalsContact O-N 3.12Å; S102-D142 CarbonylContact C-O 3.57Å; S102-D142 WeakPolarHBondContact CA-O 3.29Å
103	A	87.6	Confident	88.7	Confident	8 Å²	8	51.2 Å²	51.2	7%	0.066	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	42.7	178	0	0	0	0	0	113.9	H101 Y105 G106 N107 H141 D142 D144	H101-A103 VanDerWaalsContact C-N 3.31Å; H101-A103 PolarHBondContact O-N 3.3Å; A103-Y105 PolarHBondContact O-N 3.17Å; A103-G106 CarbonylContact O-C 3.57Å; A103-G106 VanDerWaalsContact O-CA 3.3Å; A103-G106 WeakPolarHBondContact O-CA 3.48Å; A103-G106 PolarHBondContact O-N 3.38Å; A103-N107 WeakPolarHBondContact CB-OD1 3.47Å; A103-H141 VanDerWaalsContact CB-O 3.28Å; A103-H141 WeakPolarHBondContact CB-O 3.41Å; A103-D142 PolarHBondContact N-O 2.77Å; A103-D144 WeakPolarHBondContact CA-O 3.42Å; A103-D144 HydrophobicContact CB-CB 4.28Å; A103-D144 PolarHBondContact N-O 3.39Å; A103-D144 VanDerWaalsContact N-O 3.16Å
104	K	84	Confident	89.3	Confident	118 Å²	118	51.3 Å²	51.3	51%	0.513	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.6	-37.8	-179.3	-177.1	-166.3	174	-167.1	0	113.8	T100 H101 S102 G106	T100-K104 HydrophobicContact CG2-CD 3.39Å; H101-K104 PolarHBondContact O-N 3.02Å; S102-K104 VanDerWaalsContact C-N 3.26Å; S102-K104 PolarHBondContact O-N 3.39Å; S102-K104 VanDerWaalsContact O-N 3.12Å; K104-G106 VanDerWaalsContact C-N 3.26Å; K104-G106 PolarHBondContact O-N 2.99Å
105	Y	80.9	Confident	89.8	Confident	3 Å²	3	49.6 Å²	49.6	1%	0.012	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	20.4	-179.9	-57.9	-74.8	0	0	0	112.9	G53 Y54 P55 R56 E60 G61 R62 T100 A103	G53-Y105 CarbonylContact C-O 3.5Å; G53-Y105 WeakPolarHBondContact CA-O 3.26Å; Y54-Y105 PolarHBondContact N-O 3.23Å; Y54-Y105 CarbonylContact O-C 3.51Å; P55-Y105 WeakPolarHBondContact O-CD1 3.34Å; P55-Y105 VanDerWaalsContact O-CE1 3.23Å; P55-Y105 WeakPolarHBondContact O-CE1 3.27Å; R56-Y105 HydrophobicContact CB-CD1 3.61Å; R56-Y105 HydrophobicContact CB-CE1 3.79Å; E60-Y105 HydrophobicContact CB-CE1 4.49Å; E60-Y105 VanDerWaalsContact CD-OH 3.26Å; E60-Y105 HydrophobicContact CG-CE1 3.97Å; E60-Y105 PolarHBondContact OE2-OH 3.44Å; G61-Y105 VanDerWaalsContact CA-CD2 3.49Å; R62-Y105 PolarHBondContact NH1-O 3.42Å; R62-Y105 VanDerWaalsContact NH1-O 3.17Å; T100-Y105 HydrophobicContact CG2-CE2 3.91Å; T100-Y105 VanDerWaalsContact OG1-CE2 3.3Å; T100-Y105 WeakPolarHBondContact OG1-CE2 3.38Å; A103-Y105 PolarHBondContact O-N 3.17Å
106	G	77.1	Confident	90	Very high	32 Å²	32	50.4 Å²	50.4	33%	0.33	28%	0.283	S	S	.	.			trans	86.7	160.8	-172.7	0	0	0	0	0	112.9	R62 A103 K104	R62-G106 WeakPolarHBondContact CD-O 3.37Å; R62-G106 PolarHBondContact NH1-O 3.14Å; A103-G106 CarbonylContact O-C 3.57Å; A103-G106 VanDerWaalsContact O-CA 3.3Å; A103-G106 WeakPolarHBondContact O-CA 3.48Å; A103-G106 PolarHBondContact O-N 3.38Å; K104-G106 VanDerWaalsContact C-N 3.26Å; K104-G106 PolarHBondContact O-N 2.99Å
107	N	84.5	Confident	90.1	Very high	91 Å²	91	49.9 Å²	49.9	49%	0.487	28%	0.278	S	S	.	.			trans	-69.9	138.9	179.3	-64.1	9.4	0	0	0	111	A103 H141	A103-N107 WeakPolarHBondContact CB-OD1 3.47Å; N107-H141 HydrophobicContact CB-CB 4.05Å
108	G	83.3	Confident	90.2	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.275	C	S	.	.			trans	-70.7	-176.2	168.9	0	0	0	0	0	112.8	D144	G108-D144 WeakPolarHBondContact CA-OD2 3.42Å; G108-D144 PolarHBondContact N-OD2 3.01Å
109	Q	80.8	Confident	90.3	Very high	157 Å²	157	49.7 Å²	49.7	73%	0.734	27%	0.27	S	S	*	.			trans	-139.7	146.5	178.5	-63.1	-65.7	-47.5	0	0	109.2
110	G	87.5	Confident	90	Very high	66 Å²	66	53 Å²	53	68%	0.68	29%	0.294	S	S	*	.	S	Bend	trans	91.1	-129.9	174.5	0	0	0	0	0	112.9	H141	G110-H141 PolarHBondContact N-NE2 3.11Å; G110-H141 PolarHBondContact O-NE2 2.84Å
111	K	91.6	Very high	89.6	Confident	106 Å²	106	53.1 Å²	53.1	46%	0.461	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	144.2	-176.3	-74	-169.7	172.7	-167.4	0	111.4	G72 T73 W113	G72-K111 CarbonylContact C-O 3.54Å; G72-K111 WeakPolarHBondContact CA-O 3.47Å; T73-K111 PolarHBondContact N-O 2.92Å; K111-W113 HydrophobicContact CB-CD2 4.26Å; K111-W113 HydrophobicContact CB-CE3 4.39Å; K111-W113 HydrophobicContact CB-CH2 4.45Å; K111-W113 HydrophobicContact CB-CZ2 4.31Å; K111-W113 HydrophobicContact CB-CZ3 4.48Å; K111-W113 HydrophobicContact CD-CE3 4.23Å; K111-W113 HydrophobicContact CD-CH2 3.35Å; K111-W113 HydrophobicContact CD-CZ2 3.9Å; K111-W113 HydrophobicContact CD-CZ3 3.54Å; K111-W113 HydrophobicContact CG-CH2 4.48Å
112	I	95.3	Very high	89.1	Confident	19 Å²	19	50.3 Å²	50.3	10%	0.097	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	111	161	-53.7	-178.9	0	0	0	106.3	C75 C139	C75-I112 HydrophobicContact CB-CG2 4.08Å; I112-C139 HydrophobicContact CD1-CB 3.94Å; I112-C139 WeakPolarHBondContact CD1-O 3.27Å
113	W	95.9	Very high	89.2	Confident	10 Å²	10	48.3 Å²	48.3	4%	0.038	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	-37.4	-171	-82.6	136.4	0	0	0	113.5	L65 Y67 E70 G72 T73 K111 W134 G135	L65-W113 HydrophobicContact CD1-CB 4.49Å; L65-W113 VanDerWaalsContact O-CD1 3.24Å; L65-W113 PolarHBondContact O-NE1 3.21Å; Y67-W113 HydrophobicContact CD1-CD2 4.34Å; Y67-W113 HydrophobicContact CD1-CE3 4.08Å; Y67-W113 HydrophobicContact CD1-CH2 4.26Å; Y67-W113 HydrophobicContact CD1-CZ2 4.5Å; Y67-W113 HydrophobicContact CD1-CZ3 4.05Å; Y67-W113 VanDerWaalsContact O-CZ2 3.28Å; Y67-W113 WeakPolarHBondContact O-CZ2 3.36Å; E70-W113 HydrophobicContact CB-CZ2 4.18Å; E70-W113 PolarHBondContact O-NE1 3.17Å; E70-W113 VanDerWaalsContact O-NE1 3.14Å; G72-W113 VanDerWaalsContact N-CD1 3.35Å; T73-W113 PolarHBondContact O-N 3.11Å; K111-W113 HydrophobicContact CB-CD2 4.26Å; K111-W113 HydrophobicContact CB-CE3 4.39Å; K111-W113 HydrophobicContact CB-CH2 4.45Å; K111-W113 HydrophobicContact CB-CZ2 4.31Å; K111-W113 HydrophobicContact CB-CZ3 4.48Å; K111-W113 HydrophobicContact CD-CE3 4.23Å; K111-W113 HydrophobicContact CD-CH2 3.35Å; K111-W113 HydrophobicContact CD-CZ2 3.9Å; K111-W113 HydrophobicContact CD-CZ3 3.54Å; K111-W113 HydrophobicContact CG-CH2 4.48Å; W113-W134 HydrophobicContact CB-CE3 3.95Å; W113-W134 HydrophobicContact CB-CZ3 3.96Å; W113-W134 HydrophobicContact CD2-CE3 4.48Å; W113-W134 HydrophobicContact CE3-CE3 4.43Å; W113-W134 HydrophobicContact CG-CE3 4.31Å; W113-W134 HydrophobicContact CG-CZ3 4.33Å; W113-W134 CarbonylContact O-C 3.35Å; W113-W134 WeakPolarHBondContact O-CA 3.42Å; W113-G135 PolarHBondContact O-N 2.79Å
114	L	96.3	Very high	89.1	Confident	2 Å²	2	57.2 Å²	57.2	1%	0.01	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	145.7	-177.4	-64.1	-178.5	0	0	0	110.4	L65 I74 C75 V117 I126 W134	L65-L114 HydrophobicContact CD1-CD1 3.44Å; L65-L114 VanDerWaalsContact CD1-CD1 3.44Å; L65-L114 HydrophobicContact CD1-CG 3.8Å; I74-L114 WeakPolarHBondContact CA-O 3.34Å; I74-L114 HydrophobicContact CG1-CB 4.35Å; I74-L114 HydrophobicContact CG2-CB 4.1Å; C75-L114 PolarHBondContact N-O 2.82Å; L114-V117 HydrophobicContact CB-CG2 3.59Å; L114-V117 HydrophobicContact CD1-CG2 4.35Å; L114-I126 HydrophobicContact CD1-CG1 4.07Å; L114-I126 HydrophobicContact CD1-CG2 4.22Å; L114-W134 HydrophobicContact CD1-CH2 4.32Å; L114-W134 HydrophobicContact CD1-CZ3 4.47Å; L114-W134 HydrophobicContact CD2-CD2 3.92Å; L114-W134 HydrophobicContact CD2-CE3 3.86Å; L114-W134 HydrophobicContact CD2-CH2 4.22Å; L114-W134 HydrophobicContact CD2-CZ2 4.28Å; L114-W134 HydrophobicContact CD2-CZ3 4.01Å; L114-W134 HydrophobicContact CG-CE3 4.3Å; L114-W134 HydrophobicContact CG-CH2 4.35Å; L114-W134 HydrophobicContact CG-CZ3 4.06Å
115	D	96.1	Very high	89.4	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	30%	0.3	C	S	.	.			trans	-150.1	151.2	-176.4	-166.8	-0.8	0	0	0	109.4	C75 V117 S131 R132 S137 D138	C75-D115 HydrophobicContact CB-CB 4.3Å; D115-V117 VanDerWaalsContact C-N 3.25Å; D115-V117 PolarHBondContact O-N 3.32Å; D115-S131 WeakPolarHBondContact O-CB 2.97Å; D115-R132 HydrophobicContact CB-CB 4.31Å; D115-R132 PolarHBondContact O-N 2.84Å; D115-S137 VanDerWaalsContact CG-OG 3.32Å; D115-S137 WeakPolarHBondContact OD2-CA 3.04Å; D115-S137 VanDerWaalsContact OD2-CB 3.27Å; D115-S137 WeakPolarHBondContact OD2-CB 3.37Å; D115-S137 PolarHBondContact OD2-OG 3.08Å; D115-D138 PolarHBondContact OD2-N 3.44Å
116	N	94.9	Very high	90	Very high	42 Å²	42	52.1 Å²	52.1	23%	0.225	30%	0.299	C	S	.	.	S	Bend	trans	43.4	52	-170.8	-54.5	91.9	0	0	0	111.5	D77 D78 L118	D77-N116 WeakPolarHBondContact O-CA 3.28Å; D78-N116 PolarHBondContact OD2-ND2 2.8Å; N116-L118 PolarHBondContact O-N 2.83Å
117	V	95.2	Very high	90.7	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	30%	0.303	C	S	.	.			trans	-78	124.8	-174.5	-168.1	0	0	0	0	109	I74 N83 L114 D115 I126 C129 K130	I74-V117 HydrophobicContact CG2-CG2 3.88Å; N83-V117 WeakPolarHBondContact ND2-CB 3.46Å; N83-V117 VanDerWaalsContact ND2-CG1 3.32Å; N83-V117 WeakPolarHBondContact ND2-CG1 3.46Å; N83-V117 PolarHBondContact ND2-O 2.78Å; N83-V117 PolarHBondContact OD1-O 2.46Å; L114-V117 HydrophobicContact CB-CG2 3.59Å; L114-V117 HydrophobicContact CD1-CG2 4.35Å; D115-V117 VanDerWaalsContact C-N 3.25Å; D115-V117 PolarHBondContact O-N 3.32Å; V117-I126 HydrophobicContact CG1-CD1 3.86Å; V117-I126 HydrophobicContact CG1-CG1 4.25Å; V117-C129 HydrophobicContact CG1-CB 3.83Å; V117-K130 CarbonylContact C-O 3.6Å; V117-K130 WeakPolarHBondContact CA-O 3.23Å
118	L	94.7	Very high	91.1	Very high	87 Å²	87	55 Å²	55	46%	0.455	31%	0.307	S	S	.	.	B	Isolated β-bridge	trans	-122.6	104.7	-178.2	-63.6	171.9	0	0	0	110	D78 N116 K130	D78-L118 HydrophobicContact CB-CD2 4.15Å; N116-L118 PolarHBondContact O-N 2.83Å; L118-K130 HydrophobicContact CB-CB 4.49Å; L118-K130 PolarHBondContact N-O 3.1Å; L118-K130 PolarHBondContact O-N 3.31Å
119	C	95.3	Very high	91.6	Very high	11 Å²	11	55.4 Å²	55.4	7%	0.074	31%	0.309	C	S	.	.			trans	-108.2	153.3	173.7	-58.2	0	0	0	0	111	A82 N83 V86 I126 C129	A82-C119 HydrophobicContact CB-CB 4.47Å; A82-C119 VanDerWaalsContact CB-O 3.26Å; A82-C119 WeakPolarHBondContact CB-O 3.5Å; N83-C119 PolarHBondContact ND2-N 2.74Å; N83-C119 PolarHBondContact ND2-SG 3.34Å; V86-C119 HydrophobicContact CG2-CB 4.01Å; C119-I126 WeakPolarHBondContact SG-CD1 3.21Å; C119-C129 HydrophobicContact CB-CB 4.09Å; C119-C129 WeakPolarHBondContact CB-SG 3.48Å; C119-C129 WeakPolarHBondContact SG-CB 3.35Å; C119-C129 CovalentContact SG-SG 2.03Å; C119-C129 PolarHBondContact SG-SG 2.78Å
120	N	90.5	Very high	92.3	Very high	154 Å²	154	55.6 Å²	55.6	82%	0.824	31%	0.308	S	S	*	.			trans	-89.2	-9.2	167.8	-62.2	-48.8	0	0	0	112.5	E123	N120-E123 WeakPolarHBondContact CB-OE1 3.04Å; N120-E123 PolarHBondContact N-OE1 2.64Å; N120-E123 PolarHBondContact N-OE2 2.89Å
121	G	84.8	Confident	92.6	Very high	17 Å²	17	54.3 Å²	54.3	18%	0.175	29%	0.288	C	S	.	.	S	Bend	trans	95.1	-5.9	175.8	0	0	0	0	0	114.5	R89 E123	R89-G121 PolarHBondContact NH2-O 2.88Å; G121-E123 PolarHBondContact N-OE2 3.08Å
122	G	83.6	Confident	92.6	Very high	58 Å²	58	53.7 Å²	53.7	60%	0.598	28%	0.283	S	S	*	.			trans	-102.6	-10	-179	0	0	0	0	0	114.2	R89	R89-G122 VanDerWaalsContact NH2-C 3.32Å
123	E	93.4	Very high	92.4	Very high	34 Å²	34	54.1 Å²	54.1	16%	0.159	29%	0.292	C	S	.	.			trans	-60.7	146.5	-175.4	-63.7	80.7	179.2	0	0	111.8	V86 R89 N120 G121 S125	V86-E123 HydrophobicContact CG1-CB 4.25Å; V86-E123 HydrophobicContact CG2-CB 3.97Å; V86-E123 WeakPolarHBondContact CG2-OE2 2.98Å; R89-E123 PolarHBondContact NH2-O 2.84Å; N120-E123 WeakPolarHBondContact CB-OE1 3.04Å; N120-E123 PolarHBondContact N-OE1 2.64Å; N120-E123 PolarHBondContact N-OE2 2.89Å; G121-E123 PolarHBondContact N-OE2 3.08Å; E123-S125 VanDerWaalsContact C-N 3.31Å
124	K	85.9	Confident	92.3	Very high	194 Å²	194	57.2 Å²	57.2	84%	0.843	30%	0.304	S	S	*	.	S	Bend	trans	-74.8	-23.4	178	-68.8	-173.6	178.5	-178	0	112.9	L128	K124-L128 HydrophobicContact CB-CD1 4.29Å
125	S	90.1	Very high	92	Very high	13 Å²	13	58.9 Å²	58.9	9%	0.091	32%	0.321	C	S	.	.	S	Bend	trans	-157.1	150.1	-178	178.2	0	0	0	0	111.3	Q90 E123 D127 L128	Q90-S125 VanDerWaalsContact NE2-CB 3.34Å; Q90-S125 PolarHBondContact NE2-OG 2.82Å; E123-S125 VanDerWaalsContact C-N 3.31Å; S125-D127 WeakPolarHBondContact CB-OD1 3.28Å; S125-D127 PolarHBondContact O-N 3.01Å; S125-D127 PolarHBondContact OG-OD1 2.81Å; S125-L128 WeakPolarHBondContact O-CB 3.35Å; S125-L128 PolarHBondContact O-N 3.06Å; S125-L128 VanDerWaalsContact O-N 3.1Å
126	I	94	Very high	91.9	Very high	1 Å²	1	62.8 Å²	62.8	1%	0.005	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-65.5	-24.9	-175.6	-162	63.7	0	0	0	112.6	L47 L65 I74 N83 V86 L87 Q90 L114 V117 C119 L128 C129	L47-I126 HydrophobicContact CD2-CG2 3.52Å; L65-I126 HydrophobicContact CD1-CG2 4.19Å; L65-I126 HydrophobicContact CD2-CG2 3.94Å; I74-I126 HydrophobicContact CD1-CG1 4.42Å; N83-I126 HydrophobicContact CB-CD1 4.48Å; V86-I126 HydrophobicContact CB-CD1 4.49Å; V86-I126 HydrophobicContact CG1-CB 4.39Å; V86-I126 HydrophobicContact CG1-CD1 4.37Å; L87-I126 HydrophobicContact CD1-CD1 4.16Å; L87-I126 HydrophobicContact CD1-CG1 4.41Å; L87-I126 HydrophobicContact CD2-CB 3.96Å; L87-I126 HydrophobicContact CD2-CD1 4.41Å; L87-I126 HydrophobicContact CD2-CG1 4Å; L87-I126 HydrophobicContact CD2-CG2 4.08Å; L87-I126 HydrophobicContact CG-CB 4.37Å; L87-I126 HydrophobicContact CG-CD1 3.98Å; L87-I126 HydrophobicContact CG-CG1 4.13Å; Q90-I126 VanDerWaalsContact OE1-CB 3.31Å; L114-I126 HydrophobicContact CD1-CG1 4.07Å; L114-I126 HydrophobicContact CD1-CG2 4.22Å; V117-I126 HydrophobicContact CG1-CD1 3.86Å; V117-I126 HydrophobicContact CG1-CG1 4.25Å; C119-I126 WeakPolarHBondContact SG-CD1 3.21Å; I126-L128 PolarHBondContact O-N 2.96Å; I126-C129 WeakPolarHBondContact O-CB 3.17Å; I126-C129 PolarHBondContact O-N 2.82Å; I126-C129 VanDerWaalsContact O-N 3.15Å
127	D	91.1	Very high	91.7	Very high	74 Å²	74	62.4 Å²	62.4	40%	0.396	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-69.4	-16.5	174.4	67.4	-46.3	0	0	0	113.7	L47 S125 C129 W134	L47-D127 HydrophobicContact CD2-CB 4.28Å; S125-D127 WeakPolarHBondContact CB-OD1 3.28Å; S125-D127 PolarHBondContact O-N 3.01Å; S125-D127 PolarHBondContact OG-OD1 2.81Å; D127-C129 VanDerWaalsContact C-N 3.35Å; D127-W134 HydrophobicContact CB-CH2 4.33Å; D127-W134 HydrophobicContact CB-CZ2 3.6Å
128	L	92.4	Very high	91.5	Very high	111 Å²	111	67.2 Å²	67.2	58%	0.581	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-85.3	-12.2	174.1	-57.9	175.8	0	0	0	112.4	K124 S125 I126	K124-L128 HydrophobicContact CB-CD1 4.29Å; S125-L128 WeakPolarHBondContact O-CB 3.35Å; S125-L128 PolarHBondContact O-N 3.06Å; S125-L128 VanDerWaalsContact O-N 3.1Å; I126-L128 PolarHBondContact O-N 2.96Å
129	C	93.8	Very high	91.6	Very high	7 Å²	7	63.8 Å²	63.8	5%	0.047	35%	0.352	C	S	.	.	S	Bend	trans	-76.9	149.2	175.4	-59.8	0	0	0	0	110.6	V117 C119 I126 D127 S131	V117-C129 HydrophobicContact CG1-CB 3.83Å; C119-C129 HydrophobicContact CB-CB 4.09Å; C119-C129 WeakPolarHBondContact CB-SG 3.48Å; C119-C129 WeakPolarHBondContact SG-CB 3.35Å; C119-C129 CovalentContact SG-SG 2.03Å; C119-C129 PolarHBondContact SG-SG 2.78Å; I126-C129 WeakPolarHBondContact O-CB 3.17Å; I126-C129 PolarHBondContact O-N 2.82Å; I126-C129 VanDerWaalsContact O-N 3.15Å; D127-C129 VanDerWaalsContact C-N 3.35Å; C129-S131 PolarHBondContact O-N 2.04Å
130	K	95.1	Very high	91.5	Very high	161 Å²	161	66.9 Å²	66.9	70%	0.7	37%	0.37	S	S	*	.	B	Isolated β-bridge	trans	-66.9	134.7	174.8	-175.3	-177.5	176.3	-170.1	0	108.4	V117 L118	V117-K130 CarbonylContact C-O 3.6Å; V117-K130 WeakPolarHBondContact CA-O 3.23Å; L118-K130 HydrophobicContact CB-CB 4.49Å; L118-K130 PolarHBondContact N-O 3.1Å; L118-K130 PolarHBondContact O-N 3.31Å
131	S	94.3	Very high	91.7	Very high	39 Å²	39	61.5 Å²	61.5	27%	0.273	34%	0.34	S	S	.	.			trans	-145.9	174.4	176	61.5	0	0	0	0	110	D115 C129 G133	D115-S131 WeakPolarHBondContact O-CB 2.97Å; C129-S131 PolarHBondContact O-N 2.04Å; S131-G133 PolarHBondContact O-N 3.36Å; S131-G133 PolarHBondContact OG-N 2.93Å
132	R	92.2	Very high	92.1	Very high	94 Å²	94	64.8 Å²	64.8	36%	0.355	35%	0.354	S	S	.	.	S	Bend	trans	-67.6	-6	173.3	-166.2	175.4	161	152.9	-8.3	114.2	D115 N136 D138	D115-R132 HydrophobicContact CB-CB 4.31Å; D115-R132 PolarHBondContact O-N 2.84Å; R132-N136 WeakPolarHBondContact CD-O 3.47Å; R132-N136 PolarHBondContact O-ND2 2.87Å; R132-N136 VanDerWaalsContact O-ND2 3.12Å; R132-D138 IonicContact CZ-OD1 2.74Å; R132-D138 IonicContact CZ-OD2 3.23Å; R132-D138 VanDerWaalsContact CZ-OD2 3.32Å; R132-D138 IonicContact NH1-OD1 3.12Å; R132-D138 PolarHBondContact NH1-OD1 2.8Å; R132-D138 IonicContact NH1-OD2 3.28Å; R132-D138 PolarHBondContact NH1-OD2 3.22Å; R132-D138 VanDerWaalsContact NH2-CG 3.32Å; R132-D138 IonicContact NH2-OD1 2.75Å; R132-D138 IonicContact NH2-OD2 2.68Å; R132-D138 PolarHBondContact NH2-OD2 3.31Å
133	G	90.3	Very high	92.7	Very high	27 Å²	27	65 Å²	65	28%	0.278	34%	0.339	S	S	.	.			trans	101.9	154.2	179.6	0	0	0	0	0	112.9	S131 G135 N136	S131-G133 PolarHBondContact O-N 3.36Å; S131-G133 PolarHBondContact OG-N 2.93Å; G133-G135 PolarHBondContact O-N 2.69Å; G133-N136 PolarHBondContact O-N 2.85Å
134	W	93.5	Very high	92.8	Very high	76 Å²	76	63.4 Å²	63.4	29%	0.288	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	120.7	-173.3	-71.4	97.2	0	0	0	113.8	L47 L65 Y67 W113 L114 D127 N136	L47-W134 HydrophobicContact CD1-CH2 3.67Å; L47-W134 HydrophobicContact CD1-CZ2 4.39Å; L47-W134 HydrophobicContact CD1-CZ3 4.38Å; L47-W134 HydrophobicContact CD2-CH2 3.84Å; L47-W134 HydrophobicContact CG-CH2 4.43Å; L65-W134 HydrophobicContact CD1-CH2 4.33Å; L65-W134 HydrophobicContact CD1-CZ3 4.17Å; Y67-W134 HydrophobicContact CD1-CB 4.31Å; Y67-W134 AromaticContact CD1-CD2 3.86Å; Y67-W134 HydrophobicContact CD1-CD2 3.86Å; Y67-W134 AromaticContact CD1-CE3 3.54Å; Y67-W134 HydrophobicContact CD1-CE3 3.54Å; Y67-W134 HydrophobicContact CD1-CG 4.22Å; Y67-W134 HydrophobicContact CD1-CZ3 4.15Å; Y67-W134 AromaticContact CD2-CD2 3.99Å; Y67-W134 HydrophobicContact CD2-CD2 3.99Å; Y67-W134 AromaticContact CD2-CE3 3.86Å; Y67-W134 HydrophobicContact CD2-CE3 3.86Å; Y67-W134 AromaticContact CD2-CH2 3.88Å; Y67-W134 HydrophobicContact CD2-CH2 3.88Å; Y67-W134 AromaticContact CD2-CZ2 3.99Å; Y67-W134 HydrophobicContact CD2-CZ2 3.99Å; Y67-W134 AromaticContact CD2-CZ3 3.81Å; Y67-W134 HydrophobicContact CD2-CZ3 3.81Å; Y67-W134 HydrophobicContact CE1-CB 3.71Å; Y67-W134 AromaticContact CE1-CD2 3.72Å; Y67-W134 HydrophobicContact CE1-CD2 3.72Å; Y67-W134 AromaticContact CE1-CE3 3.92Å; Y67-W134 HydrophobicContact CE1-CE3 3.92Å; Y67-W134 AromaticContact CE1-CG 3.64Å; Y67-W134 HydrophobicContact CE1-CG 3.64Å; Y67-W134 AromaticContact CE2-CD2 3.86Å; Y67-W134 HydrophobicContact CE2-CD2 3.86Å; Y67-W134 AromaticContact CE2-CE2 3.78Å; Y67-W134 HydrophobicContact CE2-CE3 4.22Å; Y67-W134 HydrophobicContact CE2-CG 4.28Å; Y67-W134 HydrophobicContact CE2-CH2 4.41Å; Y67-W134 HydrophobicContact CE2-CZ2 4.05Å; Y67-W134 HydrophobicContact CE2-CZ3 4.48Å; Y67-W134 AromaticContact CG-CD2 4Å; Y67-W134 HydrophobicContact CG-CD2 4Å; Y67-W134 AromaticContact CG-CE3 3.51Å; Y67-W134 HydrophobicContact CG-CE3 3.51Å; Y67-W134 HydrophobicContact CG-CH2 4.18Å; Y67-W134 AromaticContact CG-CZ3 3.63Å; Y67-W134 HydrophobicContact CG-CZ3 3.63Å; Y67-W134 AromaticContact CZ-CD1 3.94Å; Y67-W134 AromaticContact CZ-CD2 3.72Å; Y67-W134 AromaticContact CZ-CE2 4Å; Y67-W134 AromaticContact CZ-CG 3.68Å; W113-W134 HydrophobicContact CB-CE3 3.95Å; W113-W134 HydrophobicContact CB-CZ3 3.96Å; W113-W134 HydrophobicContact CD2-CE3 4.48Å; W113-W134 HydrophobicContact CE3-CE3 4.43Å; W113-W134 HydrophobicContact CG-CE3 4.31Å; W113-W134 HydrophobicContact CG-CZ3 4.33Å; W113-W134 CarbonylContact O-C 3.35Å; W113-W134 WeakPolarHBondContact O-CA 3.42Å; L114-W134 HydrophobicContact CD1-CH2 4.32Å; L114-W134 HydrophobicContact CD1-CZ3 4.47Å; L114-W134 HydrophobicContact CD2-CD2 3.92Å; L114-W134 HydrophobicContact CD2-CE3 3.86Å; L114-W134 HydrophobicContact CD2-CH2 4.22Å; L114-W134 HydrophobicContact CD2-CZ2 4.28Å; L114-W134 HydrophobicContact CD2-CZ3 4.01Å; L114-W134 HydrophobicContact CG-CE3 4.3Å; L114-W134 HydrophobicContact CG-CH2 4.35Å; L114-W134 HydrophobicContact CG-CZ3 4.06Å; D127-W134 HydrophobicContact CB-CH2 4.33Å; D127-W134 HydrophobicContact CB-CZ2 3.6Å; W134-N136 PolarHBondContact O-N 2.93Å
135	G	90.9	Very high	93.3	Very high	37 Å²	37	54.2 Å²	54.2	38%	0.381	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.7	16.1	177.2	0	0	0	0	0	113.9	W113 G133	W113-G135 PolarHBondContact O-N 2.79Å; G133-G135 PolarHBondContact O-N 2.69Å
136	N	93.2	Very high	93.6	Very high	81 Å²	81	53.6 Å²	53.6	43%	0.433	29%	0.288	S	S	.	.			trans	-110	93.9	174.5	-179.4	20.9	0	0	0	108.6	R132 G133 W134	R132-N136 WeakPolarHBondContact CD-O 3.47Å; R132-N136 PolarHBondContact O-ND2 2.87Å; R132-N136 VanDerWaalsContact O-ND2 3.12Å; G133-N136 PolarHBondContact O-N 2.85Å; W134-N136 PolarHBondContact O-N 2.93Å
137	S	91.2	Very high	93.7	Very high	34 Å²	34	53.6 Å²	53.6	24%	0.238	29%	0.288	C	S	.	.			trans	-138.3	145.4	178.4	-177.8	0	0	0	0	109.7	D115 C139	D115-S137 VanDerWaalsContact CG-OG 3.32Å; D115-S137 WeakPolarHBondContact OD2-CA 3.04Å; D115-S137 VanDerWaalsContact OD2-CB 3.27Å; D115-S137 WeakPolarHBondContact OD2-CB 3.37Å; D115-S137 PolarHBondContact OD2-OG 3.08Å; S137-C139 WeakPolarHBondContact OG-CB 3.43Å; S137-C139 PolarHBondContact OG-N 3.43Å; S137-C139 VanDerWaalsContact OG-N 3.15Å
138	D	92.4	Very high	93.7	Very high	102 Å²	102	51.3 Å²	51.3	55%	0.545	28%	0.277	S	S	.	.			trans	-103.2	4.2	168	49.2	-1.4	0	0	0	113.6	D115 R132	D115-D138 PolarHBondContact OD2-N 3.44Å; R132-D138 IonicContact CZ-OD1 2.74Å; R132-D138 IonicContact CZ-OD2 3.23Å; R132-D138 VanDerWaalsContact CZ-OD2 3.32Å; R132-D138 IonicContact NH1-OD1 3.12Å; R132-D138 PolarHBondContact NH1-OD1 2.8Å; R132-D138 IonicContact NH1-OD2 3.28Å; R132-D138 PolarHBondContact NH1-OD2 3.22Å; R132-D138 VanDerWaalsContact NH2-CG 3.32Å; R132-D138 IonicContact NH2-OD1 2.75Å; R132-D138 IonicContact NH2-OD2 2.68Å; R132-D138 PolarHBondContact NH2-OD2 3.31Å
139	C	94.9	Very high	93.6	Very high	15 Å²	15	46 Å²	46	10%	0.101	25%	0.249	C	C	.	.			trans	-74.5	162.7	174.4	-53.7	0	0	0	0	113.2	C75 I112 S137 E143	C75-C139 HydrophobicContact CB-CB 3.7Å; C75-C139 WeakPolarHBondContact CB-SG 3.17Å; C75-C139 WeakPolarHBondContact SG-CB 3.44Å; C75-C139 CovalentContact SG-SG 2.02Å; C75-C139 PolarHBondContact SG-SG 2.77Å; I112-C139 HydrophobicContact CD1-CB 3.94Å; I112-C139 WeakPolarHBondContact CD1-O 3.27Å; S137-C139 WeakPolarHBondContact OG-CB 3.43Å; S137-C139 PolarHBondContact OG-N 3.43Å; S137-C139 VanDerWaalsContact OG-N 3.15Å; C139-E143 WeakPolarHBondContact CA-OE2 3.11Å; C139-E143 HydrophobicContact CB-CB 4.14Å; C139-E143 VanDerWaalsContact CB-OE2 3.32Å; C139-E143 WeakPolarHBondContact CB-OE2 3.49Å
140	T	93.7	Very high	92.9	Very high	76 Å²	76	50.2 Å²	50.2	47%	0.466	27%	0.266	S	S	.	.			trans	-111.3	167.5	166.4	50.5	0	0	0	0	111.4	D142 E143	T140-D142 WeakPolarHBondContact CB-OD1 3.28Å; T140-D142 PolarHBondContact O-N 3.2Å; T140-D142 VanDerWaalsContact O-N 3.11Å; T140-D142 VanDerWaalsContact OG1-CG 3.25Å; T140-D142 PolarHBondContact OG1-OD1 2.9Å; T140-D142 PolarHBondContact OG1-OD2 3.38Å; T140-E143 PolarHBondContact N-OE2 2.99Å; T140-E143 WeakPolarHBondContact O-CB 3.25Å; T140-E143 PolarHBondContact O-N 3.24Å
141	H	94.3	Very high	91.6	Very high	40 Å²	40	45.9 Å²	45.9	19%	0.185	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-68.9	-8.8	-172.8	-83.2	-55	0	0	0	115.1	T73 A103 N107 G110 D144	T73-H141 PolarHBondContact OG1-CE1 3.42Å; T73-H141 PolarHBondContact OG1-ND1 3.26Å; A103-H141 VanDerWaalsContact CB-O 3.28Å; A103-H141 WeakPolarHBondContact CB-O 3.41Å; N107-H141 HydrophobicContact CB-CB 4.05Å; G110-H141 PolarHBondContact N-NE2 3.11Å; G110-H141 PolarHBondContact O-NE2 2.84Å; H141-D144 IonicContact CE1-OD2 3.17Å; H141-D144 IonicContact CG-OD2 2.71Å; H141-D144 IonicContact ND1-OD1 2.78Å; H141-D144 PolarHBondContact ND1-OD1 2.95Å; H141-D144 VanDerWaalsContact ND1-OD1 3.13Å; H141-D144 IonicContact ND1-OD2 2.9Å; H141-D144 PolarHBondContact ND1-OD2 3.31Å
142	D	93.9	Very high	90.6	Very high	87 Å²	87	49 Å²	49	47%	0.465	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-71.5	-11	166.7	38	-40.7	0	0	0	112.8	S102 A103 T140	S102-D142 CarbonylContact C-O 3.57Å; S102-D142 WeakPolarHBondContact CA-O 3.29Å; A103-D142 PolarHBondContact N-O 2.77Å; T140-D142 WeakPolarHBondContact CB-OD1 3.28Å; T140-D142 PolarHBondContact O-N 3.2Å; T140-D142 VanDerWaalsContact O-N 3.11Å; T140-D142 VanDerWaalsContact OG1-CG 3.25Å; T140-D142 PolarHBondContact OG1-OD1 2.9Å; T140-D142 PolarHBondContact OG1-OD2 3.38Å
143	E	95.9	Very high	89.6	Confident	62 Å²	62	47.4 Å²	47.4	29%	0.29	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-108.7	18.1	175.8	-64.9	171.4	133.8	0	0	111.5	C75 D76 C139 T140 A145	C75-E143 CarbonylContact C-O 3.06Å; C75-E143 WeakPolarHBondContact CA-O 3.35Å; D76-E143 WeakPolarHBondContact CB-O 3.44Å; D76-E143 PolarHBondContact N-O 3.01Å; D76-E143 WeakPolarHBondContact OD1-CB 3.43Å; C139-E143 WeakPolarHBondContact CA-OE2 3.11Å; C139-E143 HydrophobicContact CB-CB 4.14Å; C139-E143 VanDerWaalsContact CB-OE2 3.32Å; C139-E143 WeakPolarHBondContact CB-OE2 3.49Å; T140-E143 PolarHBondContact N-OE2 2.99Å; T140-E143 WeakPolarHBondContact O-CB 3.25Å; T140-E143 PolarHBondContact O-N 3.24Å; E143-A145 PolarHBondContact O-N 3.25Å
144	D	95.8	Very high	88.7	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.005	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-68.1	127.1	177.9	-75.4	-28	0	0	0	111.2	R62 T73 A103 G108 H141	R62-D144 HydrophobicContact CG-CB 4.08Å; T73-D144 WeakPolarHBondContact CB-OD1 3.38Å; T73-D144 WeakPolarHBondContact CG2-OD2 3.24Å; T73-D144 PolarHBondContact OG1-OD1 3.25Å; A103-D144 WeakPolarHBondContact CA-O 3.42Å; A103-D144 HydrophobicContact CB-CB 4.28Å; A103-D144 PolarHBondContact N-O 3.39Å; A103-D144 VanDerWaalsContact N-O 3.16Å; G108-D144 WeakPolarHBondContact CA-OD2 3.42Å; G108-D144 PolarHBondContact N-OD2 3.01Å; H141-D144 IonicContact CE1-OD2 3.17Å; H141-D144 IonicContact CG-OD2 2.71Å; H141-D144 IonicContact ND1-OD1 2.78Å; H141-D144 PolarHBondContact ND1-OD1 2.95Å; H141-D144 VanDerWaalsContact ND1-OD1 3.13Å; H141-D144 IonicContact ND1-OD2 2.9Å; H141-D144 PolarHBondContact ND1-OD2 3.31Å
145	A	96.8	Very high	86.5	Confident	0 Å²	0	51 Å²	51	0%	0	28%	0.28	C	S	.	.			trans	-72.6	151	176.8	0	0	0	0	0	112.3	I63 I74 D76 F79 T100 E143	I63-A145 HydrophobicContact CD1-CB 4Å; I63-A145 WeakPolarHBondContact CD1-O 3.43Å; I63-A145 PolarHBondContact N-O 3.06Å; I63-A145 VanDerWaalsContact N-O 3.15Å; I74-A145 WeakPolarHBondContact O-CB 3.28Å; I74-A145 PolarHBondContact O-N 3.27Å; D76-A145 HydrophobicContact CB-CB 4.07Å; F79-A145 HydrophobicContact CD1-CB 4.41Å; F79-A145 HydrophobicContact CD2-CB 3.76Å; F79-A145 HydrophobicContact CE1-CB 4.49Å; F79-A145 HydrophobicContact CE2-CB 3.86Å; F79-A145 HydrophobicContact CG-CB 4.04Å; F79-A145 HydrophobicContact CZ-CB 4.22Å; T100-A145 WeakPolarHBondContact O-CA 3.45Å; E143-A145 PolarHBondContact O-N 3.25Å
146	G	95.2	Very high	84.3	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.01	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	160.1	166.7	0	0	0	0	0	111.9	G61 W99 T100	G61-G146 CarbonylContact O-C 3.49Å; G61-G146 WeakPolarHBondContact O-CA 3.24Å; W99-G146 CarbonylContact C-O 3.5Å; W99-G146 VanDerWaalsContact CA-O 3.29Å; W99-G146 WeakPolarHBondContact CA-O 3.35Å; W99-G146 WeakPolarHBondContact CB-O 3.32Å; T100-G146 PolarHBondContact N-O 3.32Å; T100-G146 PolarHBondContact O-N 2.76Å; T100-G146 VanDerWaalsContact OG1-CA 3.23Å; T100-G146 WeakPolarHBondContact OG1-CA 3.3Å; T100-G146 PolarHBondContact OG1-N 2.97Å; T100-G146 PolarHBondContact OG1-O 3.12Å
147	V	96.3	Very high	82.1	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	154.7	174.5	-68.6	0	0	0	0	110.7	L51 E60 G61 I63 F79 A84 L87 L91	L51-V147 HydrophobicContact CD2-CG2 3.41Å; L51-V147 VanDerWaalsContact CD2-CG2 3.41Å; E60-V147 CarbonylContact C-O 3.49Å; E60-V147 WeakPolarHBondContact CA-O 3.23Å; E60-V147 WeakPolarHBondContact CB-O 3.4Å; G61-V147 PolarHBondContact N-O 3.01Å; G61-V147 PolarHBondContact O-N 3.04Å; I63-V147 HydrophobicContact CD1-CB 4.48Å; I63-V147 HydrophobicContact CD1-CG1 3.72Å; I63-V147 HydrophobicContact CG1-CB 4.48Å; I63-V147 HydrophobicContact CG1-CG1 3.96Å; I63-V147 HydrophobicContact CG1-CG2 4.02Å; F79-V147 HydrophobicContact CE1-CG1 4.39Å; F79-V147 HydrophobicContact CZ-CG1 4.21Å; A84-V147 HydrophobicContact CB-CB 4.36Å; A84-V147 HydrophobicContact CB-CG1 3.6Å; L87-V147 HydrophobicContact CB-CG1 4.22Å; L87-V147 HydrophobicContact CD1-CG1 4.2Å; L91-V147 HydrophobicContact CD1-CG2 4.41Å
148	V	92.3	Very high	80.1	Confident	27 Å²	27	56.8 Å²	56.8	16%	0.164	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	111.8	165.1	-169.3	0	0	0	0	106.6	E60 A96 T97 G98 T100	E60-V148 HydrophobicContact CB-CB 4.27Å; E60-V148 HydrophobicContact CB-CG1 4.09Å; E60-V148 HydrophobicContact CB-CG2 4.16Å; A96-V148 CarbonylContact C-O 3.46Å; A96-V148 WeakPolarHBondContact CA-O 3.11Å; T97-V148 PolarHBondContact N-O 3.35Å; T97-V148 VanDerWaalsContact OG1-CG1 3.28Å; T97-V148 WeakPolarHBondContact OG1-CG1 3.34Å; T97-V148 PolarHBondContact OG1-O 2.98Å; T97-V148 VanDerWaalsContact OG1-O 3.08Å; G98-V148 PolarHBondContact N-O 2.79Å; G98-V148 PolarHBondContact O-N 3.07Å; G98-V148 VanDerWaalsContact O-O 3.06Å; T100-V148 HydrophobicContact CG2-CG2 3.97Å
149	C	89	Confident	78.2	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	157.4	-179.3	-54.1	0	0	0	0	111.1	N59 C88 F93	N59-C149 HydrophobicContact CB-CB 4.24Å; N59-C149 PolarHBondContact ND2-O 3.46Å; N59-C149 WeakPolarHBondContact O-CA 3.23Å; N59-C149 WeakPolarHBondContact O-CB 2.97Å; N59-C149 PolarHBondContact O-N 2.76Å; N59-C149 PolarHBondContact O-SG 3.43Å; C88-C149 WeakPolarHBondContact CA-SG 3.04Å; C88-C149 HydrophobicContact CB-CB 3.78Å; C88-C149 WeakPolarHBondContact CB-SG 3.49Å; C88-C149 WeakPolarHBondContact SG-CA 3.26Å; C88-C149 WeakPolarHBondContact SG-CB 3.43Å; C88-C149 CovalentContact SG-SG 2.04Å; C88-C149 PolarHBondContact SG-SG 2.96Å; F93-C149 HydrophobicContact CB-CB 3.73Å; F93-C149 HydrophobicContact CD1-CB 4.04Å; F93-C149 HydrophobicContact CD2-CB 3.62Å; F93-C149 HydrophobicContact CE1-CB 4.49Å; F93-C149 HydrophobicContact CE2-CB 4.16Å; F93-C149 HydrophobicContact CG-CB 3.53Å
150	K	80.1	Confident	75.7	Confident	95 Å²	95	56.1 Å²	56.1	41%	0.413	32%	0.32	S	S	.	.			trans	-62.2	144.2	160.7	-74.8	-165.6	-174.2	-178.2	0	108.7	F93 V94 S95 T97 E152	F93-K150 WeakPolarHBondContact CD1-O 3.19Å; V94-K150 HydrophobicContact CG2-CB 3.95Å; V94-K150 HydrophobicContact CG2-CD 3.99Å; S95-K150 PolarHBondContact O-N 3.27Å; S95-K150 VanDerWaalsContact OG-CD 3.23Å; S95-K150 WeakPolarHBondContact OG-CD 3.46Å; S95-K150 WeakPolarHBondContact OG-CE 3.4Å; T97-K150 HydrophobicContact CG2-CB 4.29Å; T97-K150 HydrophobicContact CG2-CG 3.39Å; K150-E152 PolarHBondContact O-N 3.49Å
151	D	68.3	Low	73.2	Confident	69 Å²	69	53.8 Å²	53.8	37%	0.369	31%	0.305	S	S	.	.	S	Bend	trans	-63.9	-26.8	176	-69.6	-48.5	0	0	0	112.2	H58 N59 R153 M401	H58-D151 IonicContact CE1-OD1 2.95Å; H58-D151 PolarHBondContact CE1-OD1 2.56Å; H58-D151 IonicContact NE2-OD1 3.61Å; H58-D151 PolarHBondContact NE2-OD1 3.43Å; N59-D151 WeakPolarHBondContact CB-OD1 3.18Å; N59-D151 PolarHBondContact ND2-OD1 2.69Å; N59-D151 PolarHBondContact OD1-OD1 3.3Å; D151-R153 PolarHBondContact O-N 3.29Å; D151-M401 HydrophobicContact CB-CE 4.33Å
152	E	71.8	Confident	70.9	Confident	104 Å²	104	54 Å²	54	49%	0.486	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-62.2	130.6	178	-171.4	-168.8	169	0	0	112.5	F93 V94 K150	F93-E152 WeakPolarHBondContact CA-O 3.28Å; V94-E152 HydrophobicContact CG1-CB 4.19Å; V94-E152 HydrophobicContact CG1-CG 3.7Å; V94-E152 HydrophobicContact CG2-CB 3.73Å; V94-E152 HydrophobicContact CG2-CG 4.04Å; V94-E152 PolarHBondContact N-O 3.07Å; K150-E152 PolarHBondContact O-N 3.49Å
153	R	70.8	Confident	68.5	Low	62 Å²	62	52.3 Å²	52.3	23%	0.234	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-98.5	149.7	-178.9	-67.7	-67.7	-172	156.9	2.1	112.2	L91 G92 D151 P155 D159 N161	L91-R153 PolarHBondContact O-NH1 3.39Å; G92-R153 WeakPolarHBondContact O-CA 3.39Å; G92-R153 WeakPolarHBondContact O-CD 3.48Å; D151-R153 PolarHBondContact O-N 3.29Å; R153-P155 WeakPolarHBondContact O-CD 3.46Å; R153-D159 IonicContact CZ-OD2 2.91Å; R153-D159 IonicContact NH1-OD2 3.87Å; R153-D159 PolarHBondContact NH1-OD2 3.14Å; R153-D159 IonicContact NH2-OD2 3.62Å; R153-D159 PolarHBondContact NH2-OD2 3.04Å; R153-N161 PolarHBondContact NH2-ND2 2.87Å
154	I	72.4	Confident	65.8	Low	58 Å²	58	54.3 Å²	54.3	30%	0.297	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-67.6	123.4	172.4	-62.1	164.1	0	0	0	108.5	R89 G92 F93 V94 G156 F157	R89-I154 HydrophobicContact CB-CD1 4.24Å; R89-I154 HydrophobicContact CG-CD1 4.34Å; G92-I154 PolarHBondContact O-N 3.3Å; F93-I154 WeakPolarHBondContact O-CD1 3.44Å; V94-I154 HydrophobicContact CG1-CG1 4.26Å; I154-G156 PolarHBondContact O-N 3.24Å; I154-F157 HydrophobicContact CB-CB 4.16Å; I154-F157 WeakPolarHBondContact O-CB 3.44Å; I154-F157 PolarHBondContact O-N 3.46Å; I154-F157 VanDerWaalsContact O-N 3.1Å
155	P	48.1	Very low	63.1	Low	121 Å²	121	55.5 Å²	55.5	79%	0.786	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	131.3	179.7	-27.4	35.2	0	0	0	112.6	R153 F157	R153-P155 WeakPolarHBondContact O-CD 3.46Å; P155-F157 VanDerWaalsContact C-N 3.31Å
156	G	43	Very low	60.3	Low	81 Å²	81	64.1 Å²	64.1	84%	0.835	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.3	6.8	-178.8	0	0	0	0	0	115.1	I154 V158	I154-G156 PolarHBondContact O-N 3.24Å; G156-V158 PolarHBondContact O-N 2.81Å
157	F	48.2	Very low	57.8	Low	70 Å²	70	66 Å²	66	31%	0.307	37%	0.372	S	S	.	.			trans	-77.1	117	174.7	-166.5	-84.2	0	0	0	111.1	Q90 I154 P155 D159	Q90-F157 VanDerWaalsContact O-CZ 3.32Å; Q90-F157 WeakPolarHBondContact O-CZ 3.49Å; I154-F157 HydrophobicContact CB-CB 4.16Å; I154-F157 WeakPolarHBondContact O-CB 3.44Å; I154-F157 PolarHBondContact O-N 3.46Å; I154-F157 VanDerWaalsContact O-N 3.1Å; P155-F157 VanDerWaalsContact C-N 3.31Å; F157-D159 HydrophobicContact CD1-CB 3.7Å; F157-D159 HydrophobicContact CE1-CB 3.7Å; F157-D159 WeakPolarHBondContact CE1-OD1 3.22Å; F157-D159 PolarHBondContact O-N 3.35Å
158	V	48.1	Very low	55.3	Low	122 Å²	122	70.2 Å²	70.2	74%	0.739	39%	0.394	S	S	*	.			trans	-89.5	99.8	175.5	-174.4	0	0	0	0	108	G156	G156-V158 PolarHBondContact O-N 2.81Å
159	D	52.8	Low	53	Low	27 Å²	27	74.1 Å²	74.1	14%	0.144	41%	0.41	C	S	.	.			trans	-93.2	147.2	-167.5	-165.5	18.6	0	0	0	115.8	R153 F157 N161 R363	R153-D159 IonicContact CZ-OD2 2.91Å; R153-D159 IonicContact NH1-OD2 3.87Å; R153-D159 PolarHBondContact NH1-OD2 3.14Å; R153-D159 IonicContact NH2-OD2 3.62Å; R153-D159 PolarHBondContact NH2-OD2 3.04Å; F157-D159 HydrophobicContact CD1-CB 3.7Å; F157-D159 HydrophobicContact CE1-CB 3.7Å; F157-D159 WeakPolarHBondContact CE1-OD1 3.22Å; F157-D159 PolarHBondContact O-N 3.35Å; D159-N161 PolarHBondContact OD1-N 3.47Å; D159-N161 VanDerWaalsContact OD2-CB 3.25Å; D159-N161 WeakPolarHBondContact OD2-CB 3.44Å; D159-N161 VanDerWaalsContact OD2-CG 3.26Å; D159-N161 PolarHBondContact OD2-N 3.42Å; D159-N161 PolarHBondContact OD2-ND2 3.31Å; D159-R363 IonicContact OD2-CZ 2.82Å; D159-R363 IonicContact OD2-NH2 3.95Å; D159-R363 PolarHBondContact OD2-NH2 2.74Å
160	S	42	Very low	51.1	Low	75 Å²	75	79.4 Å²	79.4	52%	0.524	43%	0.433	S	S	.	.			trans	-85.5	4.8	172.3	45	0	0	0	0	115.8	I162	S160-I162 PolarHBondContact O-N 3.47Å
161	N	42.1	Very low	50	Low	27 Å²	27	78.2 Å²	78.2	14%	0.144	43%	0.428	C	S	.	.			trans	-74.5	51.4	169.5	-70.2	-8.3	0	0	0	112.4	R153 D159	R153-N161 PolarHBondContact NH2-ND2 2.87Å; D159-N161 PolarHBondContact OD1-N 3.47Å; D159-N161 VanDerWaalsContact OD2-CB 3.25Å; D159-N161 WeakPolarHBondContact OD2-CB 3.44Å; D159-N161 VanDerWaalsContact OD2-CG 3.26Å; D159-N161 PolarHBondContact OD2-N 3.42Å; D159-N161 PolarHBondContact OD2-ND2 3.31Å
162	I	45.7	Very low	49.8	Very low	46 Å²	46	75.5 Å²	75.5	24%	0.236	41%	0.414	C	S	.	.			trans	-67.5	135.4	150.9	-57.5	171.2	0	0	0	104.2	S160 D164 E357	S160-I162 PolarHBondContact O-N 3.47Å; I162-D164 HydrophobicContact CG2-CB 4.39Å; I162-D164 WeakPolarHBondContact CG2-OD1 3.48Å; I162-D164 PolarHBondContact O-N 3.42Å; I162-E357 HydrophobicContact CD1-CG 4.36Å; I162-E357 HydrophobicContact CG1-CG 4.39Å; I162-E357 HydrophobicContact CG2-CB 3.95Å; I162-E357 HydrophobicContact CG2-CG 3.59Å
163	I	44	Very low	49.4	Very low	51 Å²	51	75.4 Å²	75.4	26%	0.262	41%	0.414	S	S	.	.			trans	-66.3	74.6	154.2	-58.5	171.9	0	0	0	104	A165 W338 L340 A358 T360	I163-A165 PolarHBondContact O-N 3.05Å; I163-A165 VanDerWaalsContact O-N 3.16Å; I163-W338 VanDerWaalsContact CD1-O 3.26Å; I163-W338 WeakPolarHBondContact CD1-O 3.45Å; I163-L340 HydrophobicContact CG2-CG 4.45Å; I163-L340 WeakPolarHBondContact O-CD1 3.41Å; I163-L340 WeakPolarHBondContact O-CG 3.36Å; I163-A358 HydrophobicContact CD1-CB 4.28Å; I163-T360 HydrophobicContact CD1-CG2 4.34Å
164	D	39.6	Very low	49.6	Very low	104 Å²	104	77 Å²	77	56%	0.556	42%	0.424	S	S	*	.			trans	-62.7	123.2	168.7	-98.9	-25.5	0	0	0	102.6	I162 Q166	I162-D164 HydrophobicContact CG2-CB 4.39Å; I162-D164 WeakPolarHBondContact CG2-OD1 3.48Å; I162-D164 PolarHBondContact O-N 3.42Å; D164-Q166 PolarHBondContact O-N 3.4Å
165	A	38.1	Very low	50.2	Low	26 Å²	26	75.2 Å²	75.2	22%	0.215	42%	0.415	C	S	.	.			trans	-42.3	140.3	167.5	0	0	0	0	0	106.6	I163 V167 V259 L340	I163-A165 PolarHBondContact O-N 3.05Å; I163-A165 VanDerWaalsContact O-N 3.16Å; A165-V167 HydrophobicContact CB-CG2 3.58Å; A165-V167 PolarHBondContact O-N 3.34Å; A165-V259 HydrophobicContact CB-CG2 4.3Å; A165-L340 HydrophobicContact CB-CD1 3.55Å; A165-L340 VanDerWaalsContact N-CD1 3.34Å
166	Q	39.2	Very low	52.1	Low	181 Å²	181	74.2 Å²	74.2	85%	0.846	40%	0.396	S	S	*	.			trans	-60.3	65.4	169.9	-67.6	174.9	-23.1	0	0	109.5	D164 D168	D164-Q166 PolarHBondContact O-N 3.4Å; Q166-D168 PolarHBondContact O-N 3.32Å
167	V	43	Very low	54.3	Low	41 Å²	41	71.1 Å²	71.1	25%	0.248	36%	0.36	C	S	.	.			trans	-95.4	94.8	178.7	170.4	0	0	0	0	102.1	A165 E169 H260 A262	A165-V167 HydrophobicContact CB-CG2 3.58Å; A165-V167 PolarHBondContact O-N 3.34Å; V167-E169 PolarHBondContact O-N 2.93Å; V167-H260 HydrophobicContact CG2-CB 4.41Å; V167-A262 HydrophobicContact CB-CB 4.37Å; V167-A262 HydrophobicContact CG1-CB 3.4Å; V167-A262 VanDerWaalsContact CG1-CB 3.4Å; V167-A262 HydrophobicContact CG2-CB 4.23Å
168	D	42.1	Very low	56.3	Low	88 Å²	88	70.2 Å²	70.2	47%	0.471	36%	0.355	S	S	.	.			trans	-40.8	108.4	160.9	-169.5	4.7	0	0	0	107.8	Q166 K170	Q166-D168 PolarHBondContact O-N 3.32Å; D168-K170 PolarHBondContact O-N 3.07Å
169	E	44.2	Very low	58	Low	108 Å²	108	65.2 Å²	65.2	51%	0.505	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-3.9	-172.9	-74.8	-174.5	164.8	0	0	112.2	K48 F66 V167	K48-E169 IonicContact NZ-OE1 2.79Å; K48-E169 PolarHBondContact NZ-OE1 2.8Å; F66-E169 WeakPolarHBondContact CE2-OE2 3.46Å; F66-E169 WeakPolarHBondContact CZ-OE2 3.32Å; V167-E169 PolarHBondContact O-N 2.93Å
170	K	49.7	Very low	59	Low	111 Å²	111	64.5 Å²	64.5	48%	0.483	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	13.2	-178	-68.7	-177	-179.4	172.2	0	116.1	E70 D168	E70-K170 IonicContact OE1-NZ 2.99Å; E70-K170 PolarHBondContact OE1-NZ 3.24Å; D168-K170 PolarHBondContact O-N 3.07Å
171	K	57.7	Low	60.5	Low	71 Å²	71	63.3 Å²	63.3	31%	0.309	31%	0.311	S	S	.	.	S	Bend	trans	-126.1	-51.4	-171.3	-64.2	-173.2	-175.1	168.8	0	119.3	H199 L266 F268	K171-H199 PolarHBondContact O-CD2 3.05Å; K171-L266 HydrophobicContact CB-CD1 3.96Å; K171-L266 HydrophobicContact CD-CD1 4.36Å; K171-F268 HydrophobicContact CB-CE2 4.24Å; K171-F268 HydrophobicContact CB-CZ 3.87Å; K171-F268 HydrophobicContact CD-CE2 4.12Å; K171-F268 HydrophobicContact CG-CE2 3.84Å; K171-F268 HydrophobicContact CG-CZ 3.97Å; K171-F268 WeakPolarHBondContact O-CZ 3.24Å
172	V	63.7	Low	61.5	Low	11 Å²	11	64.5 Å²	64.5	7%	0.067	33%	0.329	C	S	.	.			trans	-153.8	122.7	179.9	177.9	0	0	0	0	109.5	V175 V197 L249 H260 L266	V172-V175 HydrophobicContact CG1-CG2 4.1Å; V172-V197 HydrophobicContact CG1-CB 4.02Å; V172-V197 HydrophobicContact CG1-CG1 4.08Å; V172-L249 HydrophobicContact CG2-CD1 4.33Å; V172-H260 PolarHBondContact O-CE1 3.07Å; V172-L266 HydrophobicContact CG2-CD1 3.94Å
173	E	62.9	Low	62.3	Low	102 Å²	102	67.6 Å²	67.6	48%	0.477	35%	0.351	S	S	.	.	S	Bend	trans	-87.5	-49.2	-178.1	-70.7	172.2	-153.5	0	0	112.6	K198 K200	E173-K198 HydrophobicContact CB-CB 4.49Å; E173-K198 PolarHBondContact N-O 3.38Å; E173-K198 IonicContact OE2-NZ 3.13Å; E173-K200 PolarHBondContact OE1-N 2.04Å
174	E	75.2	Confident	63.1	Low	96 Å²	96	66.7 Å²	66.7	45%	0.449	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	155.2	-175.4	-68.4	176.7	-177.4	0	0	110.9	V197 K198 W203	E174-V197 CarbonylContact O-C 3.58Å; E174-V197 WeakPolarHBondContact O-CA 3.14Å; E174-K198 HydrophobicContact CB-CB 3.89Å; E174-K198 HydrophobicContact CB-CD 4.23Å; E174-K198 HydrophobicContact CG-CD 4.31Å; E174-K198 PolarHBondContact O-N 2.68Å; E174-K198 IonicContact OE1-NZ 3.39Å; E174-K198 IonicContact OE2-NZ 3.58Å; E174-W203 HydrophobicContact CB-CH2 3.94Å
175	V	85.6	Confident	64.2	Low	20 Å²	20	69.6 Å²	69.6	12%	0.121	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	136.7	176.3	-175.1	0	0	0	0	108.5	V172 V195 E196 V197 V219 M222 L223 L261	V172-V175 HydrophobicContact CG1-CG2 4.1Å; V175-V195 HydrophobicContact CG1-CG1 3.83Å; V175-E196 WeakPolarHBondContact CA-O 3.45Å; V175-V197 HydrophobicContact CG2-CG1 4.24Å; V175-V219 HydrophobicContact CG1-CG1 4.15Å; V175-M222 HydrophobicContact CB-CE 4.12Å; V175-M222 HydrophobicContact CG2-CE 3.32Å; V175-M222 HydrophobicContact CG2-SD 4.16Å; V175-L223 VanDerWaalsContact O-CD2 3.31Å; V175-L223 WeakPolarHBondContact O-CD2 3.36Å; V175-L261 HydrophobicContact CG2-CD1 3.91Å
176	R	87.9	Confident	65.5	Low	101 Å²	101	79.6 Å²	79.6	38%	0.381	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	160.9	173.6	76.5	-177.7	-178.5	-169	-2.6	112.2	E196 W203	R176-E196 HydrophobicContact CG-CB 4.05Å; R176-E196 IonicContact CZ-OE2 3.96Å; R176-E196 VanDerWaalsContact CZ-OE2 3.27Å; R176-E196 PolarHBondContact N-O 3.19Å; R176-E196 IonicContact NE-OE2 3.19Å; R176-E196 PolarHBondContact NE-OE2 3.44Å; R176-E196 IonicContact NH2-OE2 3.15Å; R176-E196 PolarHBondContact NH2-OE2 2.72Å; R176-E196 PolarHBondContact O-N 3.26Å; R176-W203 HydrophobicContact CB-CH2 4.01Å; R176-W203 HydrophobicContact CB-CZ3 3.94Å; R176-W203 HydrophobicContact CG-CE3 3.87Å; R176-W203 HydrophobicContact CG-CH2 3.79Å; R176-W203 HydrophobicContact CG-CZ3 3.41Å; R176-W203 VanDerWaalsContact CG-CZ3 3.41Å; R176-W203 VanDerWaalsContact CZ-CD2 3.46Å
177	L	89.4	Confident	67.1	Low	15 Å²	15	77.1 Å²	77.1	8%	0.079	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	120.3	168.8	-59.7	-177.4	0	0	0	110.4	P179 I190 V194 V195 L223 V285	L177-P179 WeakPolarHBondContact O-CD 3.23Å; L177-I190 HydrophobicContact CB-CG2 3.89Å; L177-V194 WeakPolarHBondContact CA-O 3.35Å; L177-V195 HydrophobicContact CD2-CG2 3.94Å; L177-L223 HydrophobicContact CD1-CD1 3.76Å; L177-L223 HydrophobicContact CD2-CD1 3.73Å; L177-L223 HydrophobicContact CG-CD1 3.47Å; L177-L223 VanDerWaalsContact CG-CD1 3.47Å; L177-V285 HydrophobicContact CD1-CG2 4.24Å; L177-V285 HydrophobicContact CD2-CG2 3.27Å; L177-V285 HydrophobicContact CG-CG2 4.4Å
178	R	88.5	Confident	69	Low	52 Å²	52	78 Å²	78	20%	0.196	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	116.5	168.4	-173.7	170.3	59.6	82.3	-4.2	109.3	V180 G193 V194 E196 Q243	R178-V180 PolarHBondContact O-N 3.32Å; R178-G193 CarbonylContact O-C 3.55Å; R178-G193 VanDerWaalsContact O-CA 3.27Å; R178-G193 WeakPolarHBondContact O-CA 3.05Å; R178-V194 PolarHBondContact N-O 2.98Å; R178-V194 PolarHBondContact O-N 3.49Å; R178-E196 HydrophobicContact CB-CG 4.47Å; R178-E196 WeakPolarHBondContact CD-OE1 3.31Å; R178-E196 IonicContact CZ-OE1 3.69Å; R178-E196 IonicContact NE-OE1 2.84Å; R178-E196 PolarHBondContact NE-OE1 3.34Å; R178-E196 IonicContact NH2-OE1 2.72Å; R178-Q243 VanDerWaalsContact NH2-OE1 3.12Å
179	P	84.7	Confident	71.2	Confident	17 Å²	17	74.3 Å²	74.3	11%	0.11	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-68.9	130.2	-180	27.7	-33.2	0	0	0	110	L177 A184 R185 I190	L177-P179 WeakPolarHBondContact O-CD 3.23Å; P179-A184 HydrophobicContact CB-CB 4.14Å; P179-R185 HydrophobicContact CB-CG 4.31Å; P179-R185 HydrophobicContact CG-CG 3.79Å; P179-I190 HydrophobicContact CB-CG2 4.26Å; P179-I190 HydrophobicContact CG-CD1 4.11Å
180	V	74.4	Confident	73.4	Confident	11 Å²	11	71.4 Å²	71.4	7%	0.067	34%	0.344	C	S	.	.			trans	-87.4	-34.5	-178.2	-172.4	0	0	0	0	111.3	R178 V194 Y236 Y239 L240	R178-V180 PolarHBondContact O-N 3.32Å; V180-V194 HydrophobicContact CG2-CB 4.47Å; V180-V194 HydrophobicContact CG2-CG2 3.58Å; V180-Y236 HydrophobicContact CB-CD1 4.06Å; V180-Y236 HydrophobicContact CB-CE1 3.88Å; V180-Y236 HydrophobicContact CG1-CD1 3.9Å; V180-Y236 HydrophobicContact CG1-CE1 4.14Å; V180-Y236 HydrophobicContact CG2-CD1 4.3Å; V180-Y236 HydrophobicContact CG2-CE1 4.32Å; V180-Y239 HydrophobicContact CG1-CD1 3.38Å; V180-Y239 HydrophobicContact CG1-CE1 3.7Å; V180-Y239 HydrophobicContact CG1-CG 4.11Å; V180-L240 HydrophobicContact CG1-CD2 4.46Å
181	V	72.9	Confident	75.3	Confident	50 Å²	50	68.6 Å²	68.6	30%	0.303	34%	0.336	S	S	.	.	S	Bend	trans	-91.5	132.5	-178.1	-169.8	0	0	0	0	110.5	T183 A184 F235 Y236	V181-T183 VanDerWaalsContact C-N 3.29Å; V181-T183 WeakPolarHBondContact CG1-OG1 3.42Å; V181-T183 PolarHBondContact O-N 3.37Å; V181-A184 HydrophobicContact CB-CB 4.37Å; V181-A184 WeakPolarHBondContact O-CB 3.39Å; V181-A184 PolarHBondContact O-N 3.23Å; V181-F235 HydrophobicContact CG2-CE1 4.11Å; V181-Y236 HydrophobicContact CG2-CE1 4.21Å
182	G	63.5	Low	76.8	Confident	52 Å²	52	67.9 Å²	67.9	54%	0.536	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-58.7	-34.1	-176.6	0	0	0	0	0	114.7	A184 R185	G182-A184 VanDerWaalsContact C-N 3.31Å; G182-A184 PolarHBondContact O-N 3.35Å; G182-R185 WeakPolarHBondContact O-CB 3.26Å; G182-R185 PolarHBondContact O-N 2.78Å
183	T	61.8	Low	78	Confident	112 Å²	112	67.4 Å²	67.4	69%	0.687	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-71	-24.1	175.8	48.9	0	0	0	0	113.4	V181 R185	V181-T183 VanDerWaalsContact C-N 3.29Å; V181-T183 WeakPolarHBondContact CG1-OG1 3.42Å; V181-T183 PolarHBondContact O-N 3.37Å; T183-R185 VanDerWaalsContact C-N 3.34Å
184	A	62.1	Low	79.3	Confident	32 Å²	32	62.6 Å²	62.6	26%	0.264	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-78.6	-16.5	175.8	0	0	0	0	0	112.8	P179 V181 G182 R186 K187	P179-A184 HydrophobicContact CB-CB 4.14Å; V181-A184 HydrophobicContact CB-CB 4.37Å; V181-A184 WeakPolarHBondContact O-CB 3.39Å; V181-A184 PolarHBondContact O-N 3.23Å; G182-A184 VanDerWaalsContact C-N 3.31Å; G182-A184 PolarHBondContact O-N 3.35Å; A184-R186 PolarHBondContact O-N 2.58Å; A184-K187 PolarHBondContact O-N 2.88Å
185	R	61.2	Low	80	Confident	164 Å²	164	58 Å²	58	62%	0.619	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-65.9	-23.5	177.2	-70.2	-176.8	179.2	-174.8	1.7	114.1	P179 G182 T183	P179-R185 HydrophobicContact CB-CG 4.31Å; P179-R185 HydrophobicContact CG-CG 3.79Å; G182-R185 WeakPolarHBondContact O-CB 3.26Å; G182-R185 PolarHBondContact O-N 2.78Å; T183-R185 VanDerWaalsContact C-N 3.34Å
186	R	65.5	Low	80.2	Confident	237 Å²	237	57.7 Å²	57.7	89%	0.894	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-101.5	-0.9	-176.8	-64.6	-173.8	179.1	179.7	-1.3	113.6	A184	A184-R186 PolarHBondContact O-N 2.58Å
187	K	74.1	Confident	80	Confident	129 Å²	129	52.9 Å²	52.9	56%	0.561	27%	0.266	S	S	*	.	S	Bend	trans	-112.2	115.4	-177.2	-70.9	-172.2	177	-174.5	0	110.2	A184	A184-K187 PolarHBondContact O-N 2.88Å
188	L	82.5	Confident	79.6	Confident	59 Å²	59	54.8 Å²	54.8	31%	0.309	27%	0.274	S	S	.	.	S	Bend	trans	-102	141.7	172.2	-65.4	172.3	0	0	0	110.5	I190 Q295 M413	L188-I190 HydrophobicContact CD2-CG1 4.03Å; L188-Q295 PolarHBondContact O-NE2 3.25Å; L188-M413 WeakPolarHBondContact CD1-O 3.36Å
189	P	88.4	Confident	78.8	Confident	11 Å²	11	54.4 Å²	54.4	7%	0.071	27%	0.274	C	S	.	.	S	Bend	cis	-76.6	155.2	-2.3	32.8	-33.3	0	0	0	112	T191 F225 F293 P411 M413	P189-T191 HydrophobicContact CG-CG2 4.41Å; P189-T191 PolarHBondContact O-N 3.47Å; P189-F225 HydrophobicContact CB-CE1 4.33Å; P189-F225 HydrophobicContact CB-CZ 4.11Å; P189-F225 HydrophobicContact CG-CE1 4.19Å; P189-F225 HydrophobicContact CG-CZ 4.44Å; P189-F293 HydrophobicContact CG-CB 4.37Å; P189-P411 HydrophobicContact CB-CB 3.61Å; P189-P411 HydrophobicContact CG-CB 4.15Å; P189-M413 HydrophobicContact CB-SD 3.74Å; P189-M413 VanDerWaalsContact CD-SD 3.54Å; P189-M413 HydrophobicContact CG-SD 3.9Å
190	I	89.1	Confident	78.1	Confident	47 Å²	47	60.5 Å²	60.5	24%	0.241	30%	0.299	C	S	.	.			trans	-74.2	111.5	175.1	-57	177.7	0	0	0	107.9	L177 P179 L188 F225	L177-I190 HydrophobicContact CB-CG2 3.89Å; P179-I190 HydrophobicContact CB-CG2 4.26Å; P179-I190 HydrophobicContact CG-CD1 4.11Å; L188-I190 HydrophobicContact CD2-CG1 4.03Å; I190-F225 VanDerWaalsContact O-CZ 3.32Å; I190-F225 WeakPolarHBondContact O-CZ 3.45Å
191	T	89.5	Confident	77.6	Confident	51 Å²	51	68.2 Å²	68.2	31%	0.313	34%	0.34	S	S	.	.			trans	-99.6	-19.3	-175.1	46.3	0	0	0	0	113.3	P189 F225 S286 C287 P289	P189-T191 HydrophobicContact CG-CG2 4.41Å; P189-T191 PolarHBondContact O-N 3.47Å; T191-F225 HydrophobicContact CG2-CE1 3.86Å; T191-F225 HydrophobicContact CG2-CZ 4.21Å; T191-S286 CarbonylContact O-C 3.54Å; T191-S286 WeakPolarHBondContact O-CA 3.05Å; T191-C287 PolarHBondContact O-N 3.28Å; T191-P289 HydrophobicContact CG2-CB 4.5Å; T191-P289 HydrophobicContact CG2-CG 4.02Å
192	E	90.1	Very high	77.7	Confident	57 Å²	57	67.6 Å²	67.6	27%	0.266	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	134	-177.3	-173.6	167.1	127.1	0	0	110.8	Y236 V285 S286	E192-Y236 WeakPolarHBondContact OE1-CE2 3.4Å; E192-Y236 PolarHBondContact OE1-OH 3.39Å; E192-V285 VanDerWaalsContact CA-O 3.3Å; E192-V285 WeakPolarHBondContact CA-O 3.45Å; E192-S286 WeakPolarHBondContact OE2-CB 3.42Å; E192-S286 PolarHBondContact OE2-OG 2.96Å
193	G	89.8	Confident	78.7	Confident	1 Å²	1	69 Å²	69	1%	0.01	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.8	177.9	-177.1	0	0	0	0	0	114.1	R178 V284 V285	R178-G193 CarbonylContact O-C 3.55Å; R178-G193 VanDerWaalsContact O-CA 3.27Å; R178-G193 WeakPolarHBondContact O-CA 3.05Å; G193-V284 WeakPolarHBondContact O-CA 3.22Å; G193-V285 PolarHBondContact N-O 3.2Å; G193-V285 VanDerWaalsContact N-O 3.09Å; G193-V285 PolarHBondContact O-N 3.26Å
194	V	89.8	Confident	79.7	Confident	0 Å²	0	64 Å²	64	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	133.9	172.4	172.5	0	0	0	0	109	L177 R178 V180 Q205 L240 P282 V283 V284	L177-V194 WeakPolarHBondContact CA-O 3.35Å; R178-V194 PolarHBondContact N-O 2.98Å; R178-V194 PolarHBondContact O-N 3.49Å; V180-V194 HydrophobicContact CG2-CB 4.47Å; V180-V194 HydrophobicContact CG2-CG2 3.58Å; V194-Q205 HydrophobicContact CG1-CG 4.1Å; V194-L240 HydrophobicContact CG2-CD1 4Å; V194-L240 HydrophobicContact CG2-CD2 3.73Å; V194-P282 HydrophobicContact CG1-CB 3.7Å; V194-P282 HydrophobicContact CG2-CB 4.34Å; V194-V283 VanDerWaalsContact CA-O 3.32Å; V194-V283 WeakPolarHBondContact CA-O 2.94Å; V194-V284 HydrophobicContact CG2-CG2 4.06Å
195	V	90.4	Very high	80.8	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	124.4	176.3	-175.4	0	0	0	0	109.6	V175 L177 I206 V219 V283 V285	V175-V195 HydrophobicContact CG1-CG1 3.83Å; L177-V195 HydrophobicContact CD2-CG2 3.94Å; V195-I206 HydrophobicContact CG1-CD1 3.89Å; V195-V219 HydrophobicContact CG1-CG1 4.26Å; V195-V219 HydrophobicContact CG2-CG1 4.11Å; V195-V283 HydrophobicContact CB-CG1 4.36Å; V195-V283 HydrophobicContact CG2-CB 4.48Å; V195-V283 HydrophobicContact CG2-CG1 3.85Å; V195-V283 PolarHBondContact N-O 2.96Å; V195-V285 HydrophobicContact CG2-CB 4.13Å; V195-V285 HydrophobicContact CG2-CG1 3.61Å; V195-V285 HydrophobicContact CG2-CG2 3.43Å; V195-V285 VanDerWaalsContact CG2-CG2 3.43Å
196	E	88.4	Confident	82.1	Confident	13 Å²	13	55.6 Å²	55.6	6%	0.061	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	136.9	171.1	-63.7	-177.5	162.6	0	0	109.5	V175 R176 R178 W203 A204 Q205	V175-E196 WeakPolarHBondContact CA-O 3.45Å; R176-E196 HydrophobicContact CG-CB 4.05Å; R176-E196 IonicContact CZ-OE2 3.96Å; R176-E196 VanDerWaalsContact CZ-OE2 3.27Å; R176-E196 PolarHBondContact N-O 3.19Å; R176-E196 IonicContact NE-OE2 3.19Å; R176-E196 PolarHBondContact NE-OE2 3.44Å; R176-E196 IonicContact NH2-OE2 3.15Å; R176-E196 PolarHBondContact NH2-OE2 2.72Å; R176-E196 PolarHBondContact O-N 3.26Å; R178-E196 HydrophobicContact CB-CG 4.47Å; R178-E196 WeakPolarHBondContact CD-OE1 3.31Å; R178-E196 IonicContact CZ-OE1 3.69Å; R178-E196 IonicContact NE-OE1 2.84Å; R178-E196 PolarHBondContact NE-OE1 3.34Å; R178-E196 IonicContact NH2-OE1 2.72Å; E196-W203 HydrophobicContact CB-CE3 3.79Å; E196-W203 HydrophobicContact CB-CZ3 4.43Å; E196-A204 CarbonylContact C-O 3.54Å; E196-A204 VanDerWaalsContact CA-O 3.29Å; E196-A204 WeakPolarHBondContact CA-O 3.47Å; E196-Q205 HydrophobicContact CG-CG 4.15Å
197	V	84.9	Confident	83	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	138.2	176.7	-65.5	0	0	0	0	109.4	V172 E174 V175 A204 I206 L249 L261	V172-V197 HydrophobicContact CG1-CB 4.02Å; V172-V197 HydrophobicContact CG1-CG1 4.08Å; E174-V197 CarbonylContact O-C 3.58Å; E174-V197 WeakPolarHBondContact O-CA 3.14Å; V175-V197 HydrophobicContact CG2-CG1 4.24Å; V197-A204 PolarHBondContact N-O 3.06Å; V197-A204 PolarHBondContact O-N 2.74Å; V197-I206 HydrophobicContact CG1-CD1 3.76Å; V197-I206 HydrophobicContact CG1-CG1 4.16Å; V197-I206 HydrophobicContact CG2-CG1 4.36Å; V197-L249 HydrophobicContact CG2-CD1 3.73Å; V197-L261 HydrophobicContact CG1-CD1 4.4Å
198	K	80.6	Confident	83.6	Confident	56 Å²	56	39.5 Å²	39.5	24%	0.243	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	130.9	172.8	-168	-176.1	175.5	-164.1	0	109.3	E173 E174 W203	E173-K198 HydrophobicContact CB-CB 4.49Å; E173-K198 PolarHBondContact N-O 3.38Å; E173-K198 IonicContact OE2-NZ 3.13Å; E174-K198 HydrophobicContact CB-CB 3.89Å; E174-K198 HydrophobicContact CB-CD 4.23Å; E174-K198 HydrophobicContact CG-CD 4.31Å; E174-K198 PolarHBondContact O-N 2.68Å; E174-K198 IonicContact OE1-NZ 3.39Å; E174-K198 IonicContact OE2-NZ 3.58Å; K198-W203 HydrophobicContact CB-CD2 4.22Å; K198-W203 HydrophobicContact CB-CE3 4.03Å; K198-W203 HydrophobicContact CB-CH2 3.94Å; K198-W203 HydrophobicContact CB-CZ2 4.12Å; K198-W203 HydrophobicContact CB-CZ3 3.88Å; K198-W203 HydrophobicContact CD-CZ2 4.13Å; K198-W203 HydrophobicContact CG-CZ2 4.41Å
199	H	70.5	Confident	83.7	Confident	44 Å²	44	40.7 Å²	40.7	20%	0.204	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	114.5	176.2	172.5	-91	0	0	0	108.6	K171 G202 L248	K171-H199 PolarHBondContact O-CD2 3.05Å; H199-G202 PolarHBondContact N-O 2.87Å; H199-G202 VanDerWaalsContact N-O 3.13Å; H199-L248 HydrophobicContact CB-CD2 3.54Å
200	K	70.8	Confident	83.5	Confident	145 Å²	145	43.1 Å²	43.1	63%	0.63	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.7	-132.2	-168	-51.1	179.4	178.2	-176.1	0	110.2	E173 G202	E173-K200 PolarHBondContact OE1-N 2.04Å; K200-G202 VanDerWaalsContact C-N 3.34Å; K200-G202 PolarHBondContact O-N 2.89Å
201	D	64.7	Low	83.5	Confident	173 Å²	173	42.5 Å²	42.5	93%	0.925	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.2	12.1	-174.1	-56.4	-52	0	0	0	115
202	G	75.1	Confident	83.6	Confident	36 Å²	36	43.1 Å²	43.1	37%	0.371	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	146.5	-171.4	0	0	0	0	0	115.4	H199 K200	H199-G202 PolarHBondContact N-O 2.87Å; H199-G202 VanDerWaalsContact N-O 3.13Å; K200-G202 VanDerWaalsContact C-N 3.34Å; K200-G202 PolarHBondContact O-N 2.89Å
203	W	84.3	Confident	83.6	Confident	83 Å²	83	44.3 Å²	44.3	31%	0.314	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	129.7	167.5	-71.3	92.1	0	0	0	110.1	E174 R176 E196 K198	E174-W203 HydrophobicContact CB-CH2 3.94Å; R176-W203 HydrophobicContact CB-CH2 4.01Å; R176-W203 HydrophobicContact CB-CZ3 3.94Å; R176-W203 HydrophobicContact CG-CE3 3.87Å; R176-W203 HydrophobicContact CG-CH2 3.79Å; R176-W203 HydrophobicContact CG-CZ3 3.41Å; R176-W203 VanDerWaalsContact CG-CZ3 3.41Å; R176-W203 VanDerWaalsContact CZ-CD2 3.46Å; E196-W203 HydrophobicContact CB-CE3 3.79Å; E196-W203 HydrophobicContact CB-CZ3 4.43Å; K198-W203 HydrophobicContact CB-CD2 4.22Å; K198-W203 HydrophobicContact CB-CE3 4.03Å; K198-W203 HydrophobicContact CB-CH2 3.94Å; K198-W203 HydrophobicContact CB-CZ2 4.12Å; K198-W203 HydrophobicContact CB-CZ3 3.88Å; K198-W203 HydrophobicContact CD-CZ2 4.13Å; K198-W203 HydrophobicContact CG-CZ2 4.41Å
204	A	81.9	Confident	83.8	Confident	7 Å²	7	49.6 Å²	49.6	6%	0.058	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	158.8	179.4	0	0	0	0	0	112	E196 V197 L248	E196-A204 CarbonylContact C-O 3.54Å; E196-A204 VanDerWaalsContact CA-O 3.29Å; E196-A204 WeakPolarHBondContact CA-O 3.47Å; V197-A204 PolarHBondContact N-O 3.06Å; V197-A204 PolarHBondContact O-N 2.74Å; A204-L248 HydrophobicContact CB-CB 3.33Å; A204-L248 HydrophobicContact CB-CD2 4.05Å; A204-L248 HydrophobicContact CB-CG 4.32Å
205	Q	85.9	Confident	83.9	Confident	16 Å²	16	49.7 Å²	49.7	8%	0.075	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	160.2	-180	-68.6	170.9	-3.9	0	0	111.3	V194 E196 N245 L246 Y247 L248 P282	V194-Q205 HydrophobicContact CG1-CG 4.1Å; E196-Q205 HydrophobicContact CG-CG 4.15Å; Q205-N245 PolarHBondContact OE1-OD1 3.39Å; Q205-L246 PolarHBondContact N-O 2.77Å; Q205-Y247 HydrophobicContact CB-CD1 4.23Å; Q205-Y247 WeakPolarHBondContact O-CA 3.26Å; Q205-L248 PolarHBondContact O-N 3.47Å; Q205-P282 HydrophobicContact CB-CB 4.45Å; Q205-P282 VanDerWaalsContact OE1-CG 3.26Å
206	I	87.3	Confident	84	Confident	2 Å²	2	50.3 Å²	50.3	1%	0.01	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	139	174.9	-51.8	169.6	0	0	0	109.3	V195 V197 W211 L249 V252 L261 P282 V283	V195-I206 HydrophobicContact CG1-CD1 3.89Å; V197-I206 HydrophobicContact CG1-CD1 3.76Å; V197-I206 HydrophobicContact CG1-CG1 4.16Å; V197-I206 HydrophobicContact CG2-CG1 4.36Å; I206-W211 HydrophobicContact CD1-CH2 4.19Å; I206-W211 HydrophobicContact CD1-CZ3 4.04Å; I206-W211 HydrophobicContact CG2-CE3 4.17Å; I206-W211 HydrophobicContact CG2-CZ3 3.87Å; I206-L249 HydrophobicContact CG1-CB 4.28Å; I206-L249 HydrophobicContact CG2-CB 4.24Å; I206-V252 HydrophobicContact CG2-CG2 3.99Å; I206-L261 HydrophobicContact CD1-CD1 4.5Å; I206-P282 WeakPolarHBondContact O-CA 3.25Å; I206-V283 HydrophobicContact CB-CB 4.48Å; I206-V283 HydrophobicContact CB-CG2 4.04Å; I206-V283 HydrophobicContact CG2-CG2 4.05Å; I206-V283 WeakPolarHBondContact O-CG2 3.49Å; I206-V283 PolarHBondContact O-N 3.39Å
207	C	85.6	Confident	84.2	Confident	6 Å²	6	51.7 Å²	51.7	4%	0.041	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-70.9	136	173.9	-175.4	0	0	0	0	111.2	V209 Y247 L249 C277 V283	C207-V209 VanDerWaalsContact C-N 3.32Å; C207-V209 PolarHBondContact O-N 3.33Å; C207-Y247 HydrophobicContact CB-CD1 4.37Å; C207-L249 PolarHBondContact N-O 2.9Å; C207-C277 HydrophobicContact CB-CB 3.77Å; C207-C277 WeakPolarHBondContact CB-SG 3.42Å; C207-C277 WeakPolarHBondContact SG-CB 3.32Å; C207-C277 CovalentContact SG-SG 2.04Å; C207-C277 PolarHBondContact SG-SG 2.89Å; C207-V283 WeakPolarHBondContact O-CG2 3.49Å
208	D	86.4	Confident	84.5	Confident	23 Å²	23	51.8 Å²	51.8	12%	0.123	28%	0.281	C	S	.	.			trans	-82.8	-5.7	-177.6	86.6	-45	0	0	0	115.1	G210 W211 K233 G280 M281 V283	D208-G210 PolarHBondContact O-N 3.49Å; D208-W211 VanDerWaalsContact O-CB 3.25Å; D208-W211 WeakPolarHBondContact O-CB 3.14Å; D208-W211 PolarHBondContact O-N 3.08Å; D208-W211 VanDerWaalsContact O-N 3.09Å; D208-K233 IonicContact OD2-NZ 2.86Å; D208-K233 PolarHBondContact OD2-NZ 2.74Å; D208-G280 WeakPolarHBondContact OD1-CA 3.41Å; D208-M281 VanDerWaalsContact CB-O 3.26Å; D208-M281 WeakPolarHBondContact CB-O 3.4Å; D208-M281 PolarHBondContact N-O 3.49Å; D208-M281 PolarHBondContact OD1-N 3.09Å; D208-M281 VanDerWaalsContact OD1-O 3.14Å; D208-V283 HydrophobicContact CB-CG2 3.89Å
209	V	84.2	Confident	85	Confident	84 Å²	84	49.1 Å²	49.1	51%	0.509	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	122.8	176.4	-179.8	0	0	0	0	109.1	C207 W211	C207-V209 VanDerWaalsContact C-N 3.32Å; C207-V209 PolarHBondContact O-N 3.33Å; V209-W211 PolarHBondContact O-N 3.16Å
210	G	83.9	Confident	86.1	Confident	61 Å²	61	47 Å²	47	63%	0.629	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.7	4.2	-176.3	0	0	0	0	0	114.7	D208 T212	D208-G210 PolarHBondContact O-N 3.49Å; G210-T212 PolarHBondContact O-N 3.44Å
211	W	89.3	Confident	87.1	Confident	34 Å²	34	40.1 Å²	40.1	13%	0.129	23%	0.23	C	C	.	.			trans	-70	124.5	179.2	-169.7	-88.5	0	0	0	112.1	I206 D208 V209 N215 T216 V219 V252 V283 V285	I206-W211 HydrophobicContact CD1-CH2 4.19Å; I206-W211 HydrophobicContact CD1-CZ3 4.04Å; I206-W211 HydrophobicContact CG2-CE3 4.17Å; I206-W211 HydrophobicContact CG2-CZ3 3.87Å; D208-W211 VanDerWaalsContact O-CB 3.25Å; D208-W211 WeakPolarHBondContact O-CB 3.14Å; D208-W211 PolarHBondContact O-N 3.08Å; D208-W211 VanDerWaalsContact O-N 3.09Å; V209-W211 PolarHBondContact O-N 3.16Å; W211-N215 HydrophobicContact CD2-CB 3.8Å; W211-N215 VanDerWaalsContact CE2-CB 3.48Å; W211-N215 HydrophobicContact CE3-CB 4.01Å; W211-N215 HydrophobicContact CH2-CB 3.72Å; W211-N215 HydrophobicContact CZ2-CB 3.46Å; W211-N215 VanDerWaalsContact CZ2-CB 3.46Å; W211-N215 HydrophobicContact CZ3-CB 3.96Å; W211-T216 PolarHBondContact NE1-OG1 3.26Å; W211-V219 HydrophobicContact CH2-CG2 3.86Å; W211-V219 HydrophobicContact CZ2-CG2 3.97Å; W211-V252 HydrophobicContact CE3-CB 4.38Å; W211-V252 HydrophobicContact CZ3-CB 3.89Å; W211-V252 HydrophobicContact CZ3-CG1 4.21Å; W211-V252 HydrophobicContact CZ3-CG2 4.03Å; W211-V283 HydrophobicContact CB-CG2 4.29Å; W211-V283 HydrophobicContact CD2-CB 4.36Å; W211-V283 HydrophobicContact CD2-CG1 3.67Å; W211-V283 HydrophobicContact CD2-CG2 3.65Å; W211-V283 VanDerWaalsContact CE2-CG1 3.45Å; W211-V283 HydrophobicContact CE3-CB 4.48Å; W211-V283 HydrophobicContact CE3-CG1 4.15Å; W211-V283 HydrophobicContact CE3-CG2 3.55Å; W211-V283 HydrophobicContact CG-CG1 4.11Å; W211-V283 HydrophobicContact CG-CG2 3.99Å; W211-V283 HydrophobicContact CH2-CG1 4.2Å; W211-V283 HydrophobicContact CZ2-CG1 3.74Å; W211-V283 HydrophobicContact CZ3-CG1 4.39Å; W211-V283 HydrophobicContact CZ3-CG2 4.12Å; W211-V285 HydrophobicContact CZ2-CG1 4.2Å
212	T	91.3	Very high	88.3	Confident	64 Å²	64	33 Å²	33	39%	0.393	19%	0.191	S	C	.	.			trans	-108.7	166.8	-178.9	72.7	0	0	0	0	112.4	G210 K214 N215 T216	G210-T212 PolarHBondContact O-N 3.44Å; T212-K214 PolarHBondContact O-N 3.49Å; T212-K214 PolarHBondContact OG1-N 2.04Å; T212-N215 PolarHBondContact N-ND2 3.45Å; T212-N215 WeakPolarHBondContact O-CB 3.1Å; T212-N215 PolarHBondContact O-N 2.97Å; T212-T216 PolarHBondContact O-N 3.4Å; T212-T216 PolarHBondContact O-OG1 3.06Å
213	V	91.6	Very high	89	Confident	83 Å²	83	32.6 Å²	32.6	50%	0.503	18%	0.18	S	C	.	.	H	α-helix	trans	-61.9	-29.5	173.5	-177.3	0	0	0	0	111.6	N215 T216 R217 E228	V213-N215 VanDerWaalsContact C-N 3.34Å; V213-N215 PolarHBondContact O-N 3.12Å; V213-T216 WeakPolarHBondContact O-CB 3.46Å; V213-T216 PolarHBondContact O-N 2.99Å; V213-R217 PolarHBondContact O-N 2.94Å; V213-E228 HydrophobicContact CG1-CG 3.65Å; V213-E228 WeakPolarHBondContact CG1-OE1 3.46Å
214	K	92	Very high	89.3	Confident	112 Å²	112	28.7 Å²	28.7	49%	0.487	17%	0.166	S	C	.	.	H	α-helix	trans	-63	-40.4	176.3	-65.7	173.8	165.4	-162.4	0	111.9	T212 T216 R217 V218 C254 L255	T212-K214 PolarHBondContact O-N 3.49Å; T212-K214 PolarHBondContact OG1-N 2.04Å; K214-T216 VanDerWaalsContact C-N 3.35Å; K214-R217 WeakPolarHBondContact O-CB 3.5Å; K214-R217 PolarHBondContact O-N 2.84Å; K214-V218 PolarHBondContact O-N 2.73Å; K214-C254 WeakPolarHBondContact CB-O 3.39Å; K214-L255 VanDerWaalsContact CD-O 3.23Å; K214-L255 WeakPolarHBondContact CD-O 3.5Å; K214-L255 WeakPolarHBondContact CE-O 3.26Å; K214-L255 PolarHBondContact NZ-O 3.47Å
215	N	91.9	Very high	89.9	Confident	1 Å²	1	28.6 Å²	28.6	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-64.2	-42.8	174.1	-57.7	-12.1	0	0	0	110.8	W211 T212 V213 R217 V218 V219 V252 C254	W211-N215 HydrophobicContact CD2-CB 3.8Å; W211-N215 VanDerWaalsContact CE2-CB 3.48Å; W211-N215 HydrophobicContact CE3-CB 4.01Å; W211-N215 HydrophobicContact CH2-CB 3.72Å; W211-N215 HydrophobicContact CZ2-CB 3.46Å; W211-N215 VanDerWaalsContact CZ2-CB 3.46Å; W211-N215 HydrophobicContact CZ3-CB 3.96Å; T212-N215 PolarHBondContact N-ND2 3.45Å; T212-N215 WeakPolarHBondContact O-CB 3.1Å; T212-N215 PolarHBondContact O-N 2.97Å; V213-N215 VanDerWaalsContact C-N 3.34Å; V213-N215 PolarHBondContact O-N 3.12Å; N215-R217 VanDerWaalsContact C-N 3.31Å; N215-R217 PolarHBondContact O-N 2.97Å; N215-V218 PolarHBondContact O-N 3.45Å; N215-V219 WeakPolarHBondContact O-CG2 3.49Å; N215-V219 PolarHBondContact O-N 2.8Å; N215-V252 PolarHBondContact ND2-O 2.76Å; N215-C254 WeakPolarHBondContact OD1-CB 3.36Å; N215-C254 PolarHBondContact OD1-N 3.31Å
216	T	93.2	Very high	90.2	Very high	14 Å²	14	28.2 Å²	28.2	9%	0.086	16%	0.163	C	C	.	.	H	α-helix	trans	-59.2	-41.7	175.8	-54.1	0	0	0	0	111.7	W211 T212 V213 K214 V218 V219 C220 E228 V285	W211-T216 PolarHBondContact NE1-OG1 3.26Å; T212-T216 PolarHBondContact O-N 3.4Å; T212-T216 PolarHBondContact O-OG1 3.06Å; V213-T216 WeakPolarHBondContact O-CB 3.46Å; V213-T216 PolarHBondContact O-N 2.99Å; K214-T216 VanDerWaalsContact C-N 3.35Å; T216-V218 PolarHBondContact O-N 2.98Å; T216-V219 PolarHBondContact O-N 2.71Å; T216-C220 WeakPolarHBondContact O-CB 3.48Å; T216-C220 PolarHBondContact O-N 3.5Å; T216-C220 PolarHBondContact O-SG 3.12Å; T216-C220 VanDerWaalsContact O-SG 3.34Å; T216-E228 HydrophobicContact CG2-CB 3.6Å; T216-E228 HydrophobicContact CG2-CG 4.27Å; T216-V285 HydrophobicContact CG2-CB 3.86Å; T216-V285 HydrophobicContact CG2-CG1 3.78Å
217	R	92.8	Very high	90.3	Very high	42 Å²	42	32.3 Å²	32.3	16%	0.158	18%	0.182	C	C	.	.	H	α-helix	trans	-58.7	-45.2	176.8	179.2	179.4	173.5	87.6	-5.3	112.3	V213 K214 N215 G221 G256	V213-R217 PolarHBondContact O-N 2.94Å; K214-R217 WeakPolarHBondContact O-CB 3.5Å; K214-R217 PolarHBondContact O-N 2.84Å; N215-R217 VanDerWaalsContact C-N 3.31Å; N215-R217 PolarHBondContact O-N 2.97Å; R217-G221 PolarHBondContact O-N 2.89Å; R217-G256 WeakPolarHBondContact CD-O 3.37Å; R217-G256 PolarHBondContact NE-O 3.06Å; R217-G256 VanDerWaalsContact NE-O 3.14Å
218	V	91.1	Very high	90.6	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.006	19%	0.191	C	C	.	.	H	α-helix	trans	-63.9	-47.3	177.6	178	0	0	0	0	110.7	K214 N215 T216 G221 M222 C254 E258 L261	K214-V218 PolarHBondContact O-N 2.73Å; N215-V218 PolarHBondContact O-N 3.45Å; T216-V218 PolarHBondContact O-N 2.98Å; V218-G221 PolarHBondContact O-N 2.82Å; V218-M222 HydrophobicContact CG1-SD 4.32Å; V218-M222 WeakPolarHBondContact O-CG 3.45Å; V218-M222 PolarHBondContact O-N 3.13Å; V218-C254 HydrophobicContact CG2-CB 3.81Å; V218-E258 HydrophobicContact CG2-CB 4.16Å; V218-L261 HydrophobicContact CG1-CD2 4.38Å; V218-L261 HydrophobicContact CG1-CG 4.33Å
219	V	91.9	Very high	90.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60.3	-48.3	177.9	170.7	0	0	0	0	111.9	V175 V195 W211 N215 T216 G221 M222 L223 L261 V285	V175-V219 HydrophobicContact CG1-CG1 4.15Å; V195-V219 HydrophobicContact CG1-CG1 4.26Å; V195-V219 HydrophobicContact CG2-CG1 4.11Å; W211-V219 HydrophobicContact CH2-CG2 3.86Å; W211-V219 HydrophobicContact CZ2-CG2 3.97Å; N215-V219 WeakPolarHBondContact O-CG2 3.49Å; N215-V219 PolarHBondContact O-N 2.8Å; T216-V219 PolarHBondContact O-N 2.71Å; V219-G221 VanDerWaalsContact C-N 3.29Å; V219-G221 PolarHBondContact O-N 3.18Å; V219-M222 PolarHBondContact O-N 3.44Å; V219-L223 HydrophobicContact CG1-CD1 3.73Å; V219-L223 WeakPolarHBondContact O-CD1 3.45Å; V219-L223 VanDerWaalsContact O-CG 3.27Å; V219-L223 WeakPolarHBondContact O-CG 3.25Å; V219-L223 PolarHBondContact O-N 2.89Å; V219-L223 VanDerWaalsContact O-N 3.1Å; V219-L261 HydrophobicContact CG2-CD1 3.64Å; V219-L261 HydrophobicContact CG2-CD2 4.07Å; V219-L261 HydrophobicContact CG2-CG 3.96Å; V219-V285 HydrophobicContact CG1-CG2 4.25Å
220	C	93.8	Very high	91	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60.1	-41.8	177	-72	0	0	0	0	111.1	T216 L223 G224 F225 C287	T216-C220 WeakPolarHBondContact O-CB 3.48Å; T216-C220 PolarHBondContact O-N 3.5Å; T216-C220 PolarHBondContact O-SG 3.12Å; T216-C220 VanDerWaalsContact O-SG 3.34Å; C220-L223 CarbonylContact O-C 3.56Å; C220-L223 PolarHBondContact O-N 2.85Å; C220-G224 PolarHBondContact O-N 3.04Å; C220-F225 CarbonylContact C-O 3.55Å; C220-F225 VanDerWaalsContact C-O 3.32Å; C220-F225 HydrophobicContact CB-CB 4.05Å; C220-F225 WeakPolarHBondContact O-CA 3.32Å; C220-F225 WeakPolarHBondContact O-CB 3.39Å; C220-F225 PolarHBondContact O-N 3.07Å; C220-C287 WeakPolarHBondContact CA-SG 3.1Å; C220-C287 HydrophobicContact CB-CB 3.82Å; C220-C287 WeakPolarHBondContact CB-SG 3.22Å; C220-C287 VanDerWaalsContact SG-CA 3.53Å; C220-C287 WeakPolarHBondContact SG-CB 3.17Å; C220-C287 CovalentContact SG-SG 2.04Å; C220-C287 PolarHBondContact SG-SG 2.97Å
221	G	91.7	Very high	91	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-56.9	-49.6	174.2	0	0	0	0	0	112.9	R217 V218 V219 L223 G224 F225 G353 S354	R217-G221 PolarHBondContact O-N 2.89Å; V218-G221 PolarHBondContact O-N 2.82Å; V219-G221 VanDerWaalsContact C-N 3.29Å; V219-G221 PolarHBondContact O-N 3.18Å; G221-L223 PolarHBondContact O-N 3.1Å; G221-G224 PolarHBondContact O-N 2.65Å; G221-F225 WeakPolarHBondContact CA-O 3.35Å; G221-F225 PolarHBondContact N-O 3.36Å; G221-G353 CarbonylContact O-C 3.6Å; G221-G353 WeakPolarHBondContact O-CA 3.05Å; G221-S354 VanDerWaalsContact C-OG 3.25Å; G221-S354 PolarHBondContact O-N 2.77Å; G221-S354 PolarHBondContact O-OG 2.57Å
222	M	88.6	Confident	90.8	Very high	25 Å²	25	47.8 Å²	47.8	12%	0.123	23%	0.228	C	C	.	.	H	α-helix	trans	-61.5	-32.2	178.5	-68.3	174.9	61.1	0	0	113.2	V175 V218 V219 G224 V259 H260 L261 S354 N409	V175-M222 HydrophobicContact CB-CE 4.12Å; V175-M222 HydrophobicContact CG2-CE 3.32Å; V175-M222 HydrophobicContact CG2-SD 4.16Å; V218-M222 HydrophobicContact CG1-SD 4.32Å; V218-M222 WeakPolarHBondContact O-CG 3.45Å; V218-M222 PolarHBondContact O-N 3.13Å; V219-M222 PolarHBondContact O-N 3.44Å; M222-G224 PolarHBondContact O-N 2.83Å; M222-V259 WeakPolarHBondContact CG-O 3.08Å; M222-H260 WeakPolarHBondContact CE-CD2 3.44Å; M222-H260 WeakPolarHBondContact CE-NE2 3.08Å; M222-L261 HydrophobicContact SD-CB 3.8Å; M222-L261 HydrophobicContact SD-CD1 4.4Å; M222-L261 HydrophobicContact SD-CG 3.84Å; M222-L261 PolarHBondContact SD-N 3.15Å; M222-S354 PolarHBondContact N-OG 3.46Å; M222-N409 WeakPolarHBondContact O-CB 3.24Å
223	L	89.9	Confident	90.1	Very high	27 Å²	27	49.2 Å²	49.2	14%	0.141	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	4.2	178.6	-66	167.9	0	0	0	113.3	V175 L177 V219 C220 G221 F225 P411	V175-L223 VanDerWaalsContact O-CD2 3.31Å; V175-L223 WeakPolarHBondContact O-CD2 3.36Å; L177-L223 HydrophobicContact CD1-CD1 3.76Å; L177-L223 HydrophobicContact CD2-CD1 3.73Å; L177-L223 HydrophobicContact CG-CD1 3.47Å; L177-L223 VanDerWaalsContact CG-CD1 3.47Å; V219-L223 HydrophobicContact CG1-CD1 3.73Å; V219-L223 WeakPolarHBondContact O-CD1 3.45Å; V219-L223 VanDerWaalsContact O-CG 3.27Å; V219-L223 WeakPolarHBondContact O-CG 3.25Å; V219-L223 PolarHBondContact O-N 2.89Å; V219-L223 VanDerWaalsContact O-N 3.1Å; C220-L223 CarbonylContact O-C 3.56Å; C220-L223 PolarHBondContact O-N 2.85Å; G221-L223 PolarHBondContact O-N 3.1Å; L223-F225 HydrophobicContact CB-CD2 3.68Å; L223-F225 HydrophobicContact CB-CE2 3.84Å; L223-P411 WeakPolarHBondContact O-CA 3.48Å
224	G	91.6	Very high	89.5	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	88	14.8	177.1	0	0	0	0	0	115.8	C220 G221 M222 G353 N409 P411	C220-G224 PolarHBondContact O-N 3.04Å; G221-G224 PolarHBondContact O-N 2.65Å; M222-G224 PolarHBondContact O-N 2.83Å; G224-G353 VanDerWaalsContact C-CA 3.44Å; G224-G353 VanDerWaalsContact C-N 3.3Å; G224-G353 PolarHBondContact O-N 3.42Å; G224-N409 VanDerWaalsContact CA-C 3.46Å; G224-N409 WeakPolarHBondContact CA-O 3.15Å; G224-P411 VanDerWaalsContact O-CD 3.25Å; G224-P411 WeakPolarHBondContact O-CD 3.14Å; G224-P411 VanDerWaalsContact O-CG 3.31Å; G224-P411 WeakPolarHBondContact O-CG 3.29Å
225	F	93.9	Very high	89	Confident	6 Å²	6	52 Å²	52	3%	0.026	24%	0.241	C	C	.	.			trans	-103.5	131.7	179.1	-59.1	-78.4	0	0	0	111.6	P189 I190 T191 C220 G221 L223 H227 C287 P289 P411	P189-F225 HydrophobicContact CB-CE1 4.33Å; P189-F225 HydrophobicContact CB-CZ 4.11Å; P189-F225 HydrophobicContact CG-CE1 4.19Å; P189-F225 HydrophobicContact CG-CZ 4.44Å; I190-F225 VanDerWaalsContact O-CZ 3.32Å; I190-F225 WeakPolarHBondContact O-CZ 3.45Å; T191-F225 HydrophobicContact CG2-CE1 3.86Å; T191-F225 HydrophobicContact CG2-CZ 4.21Å; C220-F225 CarbonylContact C-O 3.55Å; C220-F225 VanDerWaalsContact C-O 3.32Å; C220-F225 HydrophobicContact CB-CB 4.05Å; C220-F225 WeakPolarHBondContact O-CA 3.32Å; C220-F225 WeakPolarHBondContact O-CB 3.39Å; C220-F225 PolarHBondContact O-N 3.07Å; G221-F225 WeakPolarHBondContact CA-O 3.35Å; G221-F225 PolarHBondContact N-O 3.36Å; L223-F225 HydrophobicContact CB-CD2 3.68Å; L223-F225 HydrophobicContact CB-CE2 3.84Å; F225-H227 VanDerWaalsContact C-N 3.32Å; F225-H227 PolarHBondContact O-N 2.83Å; F225-C287 HydrophobicContact CB-CB 3.62Å; F225-C287 HydrophobicContact CD1-CB 3.97Å; F225-C287 HydrophobicContact CD2-CB 3.49Å; F225-C287 VanDerWaalsContact CD2-CB 3.49Å; F225-C287 HydrophobicContact CE2-CB 4.1Å; F225-C287 HydrophobicContact CG-CB 3.41Å; F225-C287 VanDerWaalsContact CG-CB 3.41Å; F225-P289 HydrophobicContact CD1-CB 4.31Å; F225-P289 HydrophobicContact CE1-CB 4.17Å; F225-P411 HydrophobicContact CD1-CG 4.01Å; F225-P411 HydrophobicContact CE1-CB 3.94Å; F225-P411 HydrophobicContact CE1-CG 3.78Å; F225-P411 HydrophobicContact CE2-CB 4.44Å; F225-P411 HydrophobicContact CZ-CB 3.85Å; F225-P411 HydrophobicContact CZ-CG 4.13Å
226	P	91.9	Very high	88.4	Confident	8 Å²	8	52.8 Å²	52.8	5%	0.052	24%	0.244	C	C	.	.	S	Bend	trans	-68.8	-29.1	-177.7	23.5	-34.6	0	0	0	113.6	M288 G351 F352	P226-M288 WeakPolarHBondContact CD-O 3.5Å; P226-G351 WeakPolarHBondContact CD-O 3.37Å; P226-F352 WeakPolarHBondContact CA-O 3.08Å; P226-F352 VanDerWaalsContact CB-O 3.25Å; P226-F352 WeakPolarHBondContact CB-O 3.3Å; P226-F352 WeakPolarHBondContact CD-O 3.41Å
227	H	90.6	Very high	87.6	Confident	88 Å²	88	56.9 Å²	56.9	41%	0.407	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	158.6	-169.6	-57.2	-42.6	0	0	0	112.9	F225 M288	F225-H227 VanDerWaalsContact C-N 3.32Å; F225-H227 PolarHBondContact O-N 2.83Å; H227-M288 HydrophobicContact CB-CB 4.24Å; H227-M288 HydrophobicContact CB-CE 3.34Å; H227-M288 HydrophobicContact CB-CG 4.47Å; H227-M288 PolarHBondContact O-N 3.33Å
228	E	92	Very high	86.5	Confident	48 Å²	48	61 Å²	61	22%	0.224	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	157.7	178.9	69.3	-72.8	176.9	0	0	113.8	V213 T216	V213-E228 HydrophobicContact CG1-CG 3.65Å; V213-E228 WeakPolarHBondContact CG1-OE1 3.46Å; T216-E228 HydrophobicContact CG2-CB 3.6Å; T216-E228 HydrophobicContact CG2-CG 4.27Å
229	R	90.3	Very high	85.6	Confident	151 Å²	151	66.7 Å²	66.7	57%	0.57	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.1	153.7	172.6	-76.1	176	69.2	-164.3	0.5	111.5	S286 M288	R229-S286 PolarHBondContact N-O 3.22Å; R229-M288 VanDerWaalsContact CD-CG 3.48Å; R229-M288 HydrophobicContact CG-CG 3.33Å; R229-M288 HydrophobicContact CG-SD 3.55Å; R229-M288 VanDerWaalsContact CG-SD 3.55Å
230	K	86.9	Confident	84.6	Confident	196 Å²	196	66.7 Å²	66.7	85%	0.852	31%	0.307	S	S	*	.			trans	-72.8	128.2	171.9	-66.2	-174.8	-179.9	-179.5	0	110.1
231	V	85.6	Confident	83.4	Confident	31 Å²	31	72.4 Å²	72.4	19%	0.188	33%	0.334	C	S	.	.			trans	-94.1	139.9	174.9	176.4	0	0	0	0	110.1	K233 Y236 V284	V231-K233 PolarHBondContact O-N 2.88Å; V231-Y236 HydrophobicContact CG1-CD2 3.85Å; V231-Y236 HydrophobicContact CG1-CE2 3.71Å; V231-V284 HydrophobicContact CG1-CB 4.25Å; V231-V284 HydrophobicContact CG1-CG1 3.85Å; V231-V284 HydrophobicContact CG2-CG1 4.45Å
232	N	83.6	Confident	82	Confident	106 Å²	106	83 Å²	83	57%	0.567	37%	0.373	S	S	*	.			trans	-80	92.8	167.7	-174.5	-5.6	0	0	0	110.1	N234 F235	N232-N234 PolarHBondContact O-N 2.75Å; N232-N234 PolarHBondContact OD1-N 3.37Å; N232-F235 WeakPolarHBondContact O-CB 3.42Å; N232-F235 PolarHBondContact O-N 3.46Å
233	K	77.7	Confident	80.9	Confident	94 Å²	94	85.2 Å²	85.2	41%	0.409	38%	0.384	S	S	.	.	H	α-helix	trans	-56	-33.4	-177.7	-66.6	-169.7	171.4	-159.2	0	113.6	D208 V231 F235 Y236 K237	D208-K233 IonicContact OD2-NZ 2.86Å; D208-K233 PolarHBondContact OD2-NZ 2.74Å; V231-K233 PolarHBondContact O-N 2.88Å; K233-F235 PolarHBondContact O-N 3.27Å; K233-Y236 PolarHBondContact O-N 3.27Å; K233-Y236 VanDerWaalsContact O-N 3.16Å; K233-K237 PolarHBondContact O-N 3.03Å
234	N	78.8	Confident	79.4	Confident	125 Å²	125	94.5 Å²	94.5	67%	0.668	42%	0.423	S	S	*	.	H	α-helix	trans	-64.2	-30.2	-176.3	-66.9	-17.2	0	0	0	112.8	N232 Y236	N232-N234 PolarHBondContact O-N 2.75Å; N232-N234 PolarHBondContact OD1-N 3.37Å; N234-Y236 VanDerWaalsContact C-N 3.3Å; N234-Y236 PolarHBondContact O-N 2.03Å
235	F	81.3	Confident	78.1	Confident	130 Å²	130	96.2 Å²	96.2	57%	0.57	43%	0.432	S	S	*	.	H	α-helix	trans	-63.8	-37	177.6	179.4	-97.5	0	0	0	112.1	V181 N232 K233	V181-F235 HydrophobicContact CG2-CE1 4.11Å; N232-F235 WeakPolarHBondContact O-CB 3.42Å; N232-F235 PolarHBondContact O-N 3.46Å; K233-F235 PolarHBondContact O-N 3.27Å
236	Y	79.1	Confident	76.7	Confident	17 Å²	17	102.2 Å²	102.2	7%	0.067	46%	0.464	C	S	.	.	H	α-helix	trans	-90.8	-19.2	-173.7	-67.4	-69.2	0	0	0	114	V180 V181 E192 V231 K233 N234 L238 Y239 L240 V284	V180-Y236 HydrophobicContact CB-CD1 4.06Å; V180-Y236 HydrophobicContact CB-CE1 3.88Å; V180-Y236 HydrophobicContact CG1-CD1 3.9Å; V180-Y236 HydrophobicContact CG1-CE1 4.14Å; V180-Y236 HydrophobicContact CG2-CD1 4.3Å; V180-Y236 HydrophobicContact CG2-CE1 4.32Å; V181-Y236 HydrophobicContact CG2-CE1 4.21Å; E192-Y236 WeakPolarHBondContact OE1-CE2 3.4Å; E192-Y236 PolarHBondContact OE1-OH 3.39Å; V231-Y236 HydrophobicContact CG1-CD2 3.85Å; V231-Y236 HydrophobicContact CG1-CE2 3.71Å; K233-Y236 PolarHBondContact O-N 3.27Å; K233-Y236 VanDerWaalsContact O-N 3.16Å; N234-Y236 VanDerWaalsContact C-N 3.3Å; N234-Y236 PolarHBondContact O-N 2.03Å; Y236-L238 PolarHBondContact O-N 2.85Å; Y236-Y239 PolarHBondContact O-N 3.37Å; Y236-Y239 VanDerWaalsContact O-N 3.14Å; Y236-L240 WeakPolarHBondContact O-CG 3.02Å; Y236-L240 PolarHBondContact O-N 3.05Å; Y236-L240 VanDerWaalsContact O-N 3.08Å; Y236-V284 HydrophobicContact CD2-CB 4.44Å; Y236-V284 HydrophobicContact CD2-CG1 3.91Å; Y236-V284 HydrophobicContact CD2-CG2 4.37Å; Y236-V284 HydrophobicContact CE2-CG1 3.91Å; Y236-V284 HydrophobicContact CG-CG1 4.36Å; Y236-V284 HydrophobicContact CG-CG2 4.2Å
237	K	76.7	Confident	75.8	Confident	99 Å²	99	103 Å²	103	43%	0.43	47%	0.466	S	S	.	.	H	α-helix	trans	-51.4	-53.6	-174.9	-176.2	168.1	-176.7	-179.5	0	112.9	K233 Y239 L240 E241 M281	K233-K237 PolarHBondContact O-N 3.03Å; K237-Y239 VanDerWaalsContact C-N 3.3Å; K237-Y239 PolarHBondContact O-N 3.32Å; K237-L240 PolarHBondContact O-N 3.13Å; K237-E241 WeakPolarHBondContact CE-OE1 3.44Å; K237-E241 HydrophobicContact CG-CG 4.46Å; K237-E241 VanDerWaalsContact CG-OE1 3.22Å; K237-E241 WeakPolarHBondContact CG-OE1 3.19Å; K237-E241 WeakPolarHBondContact O-CB 3.02Å; K237-E241 VanDerWaalsContact O-CG 3.28Å; K237-E241 WeakPolarHBondContact O-CG 3.25Å; K237-E241 PolarHBondContact O-N 2.95Å; K237-E241 VanDerWaalsContact O-N 3.1Å; K237-M281 HydrophobicContact CB-CE 4.14Å; K237-M281 HydrophobicContact CB-SD 3.73Å; K237-M281 HydrophobicContact CD-SD 4.23Å; K237-M281 HydrophobicContact CG-SD 3.65Å
238	L	70.1	Confident	74.8	Confident	129 Å²	129	101.1 Å²	101.1	68%	0.675	46%	0.458	S	S	*	.	H	α-helix	trans	-62.3	-31.7	-178.7	-77.2	156.9	0	0	0	114.1	Y236	Y236-L238 PolarHBondContact O-N 2.85Å
239	Y	72.2	Confident	73.9	Confident	120 Å²	120	98.9 Å²	98.9	47%	0.471	45%	0.448	S	S	.	.	H	α-helix	trans	-81.3	-38.3	-177.4	-167	-90.7	0	0	0	111.8	V180 Y236 K237	V180-Y239 HydrophobicContact CG1-CD1 3.38Å; V180-Y239 HydrophobicContact CG1-CE1 3.7Å; V180-Y239 HydrophobicContact CG1-CG 4.11Å; Y236-Y239 PolarHBondContact O-N 3.37Å; Y236-Y239 VanDerWaalsContact O-N 3.14Å; K237-Y239 VanDerWaalsContact C-N 3.3Å; K237-Y239 PolarHBondContact O-N 3.32Å
240	L	71.4	Confident	73.1	Confident	0 Å²	0	99.2 Å²	99.2	0%	0	45%	0.449	C	S	.	.	H	α-helix	trans	-84.9	-25.1	-174.6	-64.1	173.6	0	0	0	113.5	V180 V194 Y236 K237 R242 Q243 N245 P282 V284	V180-L240 HydrophobicContact CG1-CD2 4.46Å; V194-L240 HydrophobicContact CG2-CD1 4Å; V194-L240 HydrophobicContact CG2-CD2 3.73Å; Y236-L240 WeakPolarHBondContact O-CG 3.02Å; Y236-L240 PolarHBondContact O-N 3.05Å; Y236-L240 VanDerWaalsContact O-N 3.08Å; K237-L240 PolarHBondContact O-N 3.13Å; L240-R242 PolarHBondContact O-N 3.14Å; L240-Q243 PolarHBondContact O-N 3.44Å; L240-N245 PolarHBondContact O-ND2 3.37Å; L240-P282 HydrophobicContact CB-CG 4.43Å; L240-V284 HydrophobicContact CD1-CG2 3.65Å
241	E	66.9	Low	72.6	Confident	121 Å²	121	91.6 Å²	91.6	57%	0.565	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-20.9	172.7	-77.9	173.9	176	0	0	113	K237	K237-E241 WeakPolarHBondContact CE-OE1 3.44Å; K237-E241 HydrophobicContact CG-CG 4.46Å; K237-E241 VanDerWaalsContact CG-OE1 3.22Å; K237-E241 WeakPolarHBondContact CG-OE1 3.19Å; K237-E241 WeakPolarHBondContact O-CB 3.02Å; K237-E241 VanDerWaalsContact O-CG 3.28Å; K237-E241 WeakPolarHBondContact O-CG 3.25Å; K237-E241 PolarHBondContact O-N 2.95Å; K237-E241 VanDerWaalsContact O-N 3.1Å
242	R	62.3	Low	72.6	Confident	221 Å²	221	90.4 Å²	90.4	83%	0.834	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-8.9	179.4	-70.7	-178.4	175.9	179.2	-0.8	114.4	L240	L240-R242 PolarHBondContact O-N 3.14Å
243	Q	65.4	Low	72.7	Confident	72 Å²	72	87.9 Å²	87.9	34%	0.336	41%	0.407	S	S	.	.	S	Bend	trans	-94.1	140.8	-178.7	-63.9	-159.1	-52.9	0	0	111.3	R178 L240 N245	R178-Q243 VanDerWaalsContact NH2-OE1 3.12Å; L240-Q243 PolarHBondContact O-N 3.44Å; Q243-N245 VanDerWaalsContact CB-OD1 3.29Å; Q243-N245 WeakPolarHBondContact CB-OD1 3.49Å; Q243-N245 PolarHBondContact O-N 3.14Å; Q243-N245 PolarHBondContact O-ND2 3.31Å; Q243-N245 PolarHBondContact O-OD1 2.91Å
244	K	58.8	Low	73.2	Confident	223 Å²	223	83.8 Å²	83.8	97%	0.97	39%	0.39	S	S	*	.			trans	-70.5	107.6	166.8	-78.1	-173.6	177.5	-178.2	0	108
245	N	64.4	Low	73.7	Confident	36 Å²	36	83.4 Å²	83.4	19%	0.193	39%	0.388	C	S	.	.			trans	-101.6	127.4	-173	-60.6	-28.4	0	0	0	110.7	Q205 L240 Q243 Y247 P282	Q205-N245 PolarHBondContact OE1-OD1 3.39Å; L240-N245 PolarHBondContact O-ND2 3.37Å; Q243-N245 VanDerWaalsContact CB-OD1 3.29Å; Q243-N245 WeakPolarHBondContact CB-OD1 3.49Å; Q243-N245 PolarHBondContact O-N 3.14Å; Q243-N245 PolarHBondContact O-ND2 3.31Å; Q243-N245 PolarHBondContact O-OD1 2.91Å; N245-Y247 HydrophobicContact CB-CD2 4.17Å; N245-Y247 HydrophobicContact CB-CE1 4.1Å; N245-Y247 HydrophobicContact CB-CE2 3.48Å; N245-Y247 VanDerWaalsContact CB-CE2 3.48Å; N245-Y247 VanDerWaalsContact CB-CZ 3.44Å; N245-Y247 PolarHBondContact ND2-OH 3.18Å; N245-Y247 VanDerWaalsContact ND2-OH 3.12Å; N245-P282 HydrophobicContact CB-CG 4.47Å; N245-P282 WeakPolarHBondContact ND2-CG 3.32Å
246	L	65.9	Low	73.8	Confident	132 Å²	132	77.3 Å²	77.3	69%	0.691	36%	0.362	S	S	*	.			trans	-97.9	102.8	172.2	-169.6	78.6	0	0	0	108.3	Q205	Q205-L246 PolarHBondContact N-O 2.77Å
247	Y	71.5	Confident	74	Confident	24 Å²	24	77.5 Å²	77.5	9%	0.094	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	112.1	176.6	-53.8	-81.5	0	0	0	109.8	Q205 C207 N245 T276 C277 P282	Q205-Y247 HydrophobicContact CB-CD1 4.23Å; Q205-Y247 WeakPolarHBondContact O-CA 3.26Å; C207-Y247 HydrophobicContact CB-CD1 4.37Å; N245-Y247 HydrophobicContact CB-CD2 4.17Å; N245-Y247 HydrophobicContact CB-CE1 4.1Å; N245-Y247 HydrophobicContact CB-CE2 3.48Å; N245-Y247 VanDerWaalsContact CB-CE2 3.48Å; N245-Y247 VanDerWaalsContact CB-CZ 3.44Å; N245-Y247 PolarHBondContact ND2-OH 3.18Å; N245-Y247 VanDerWaalsContact ND2-OH 3.12Å; Y247-T276 WeakPolarHBondContact CD2-OG1 3.16Å; Y247-C277 HydrophobicContact CD1-CB 4.21Å; Y247-C277 HydrophobicContact CD2-CB 3.68Å; Y247-C277 HydrophobicContact CE1-CB 4.28Å; Y247-C277 HydrophobicContact CE2-CB 3.72Å; Y247-C277 HydrophobicContact CG-CB 3.91Å; Y247-P282 HydrophobicContact CE1-CB 4.38Å; Y247-P282 HydrophobicContact CE1-CG 3.99Å; Y247-P282 WeakPolarHBondContact OH-CD 3.34Å
248	L	70.9	Confident	74.4	Confident	48 Å²	48	73.8 Å²	73.8	25%	0.251	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	-39.8	176.2	-179.3	69	0	0	0	111.3	H199 A204 Q205 F268 S269	H199-L248 HydrophobicContact CB-CD2 3.54Å; A204-L248 HydrophobicContact CB-CB 3.33Å; A204-L248 HydrophobicContact CB-CD2 4.05Å; A204-L248 HydrophobicContact CB-CG 4.32Å; Q205-L248 PolarHBondContact O-N 3.47Å; L248-F268 HydrophobicContact CG-CD1 4.24Å; L248-S269 PolarHBondContact O-N 2.92Å
249	L	73	Confident	75	Confident	2 Å²	2	68.2 Å²	68.2	1%	0.01	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	126.8	176.9	-89.7	115.5	0	0	0	111.2	V172 V197 I206 C207 V252 L266 F268	V172-L249 HydrophobicContact CG2-CD1 4.33Å; V197-L249 HydrophobicContact CG2-CD1 3.73Å; I206-L249 HydrophobicContact CG1-CB 4.28Å; I206-L249 HydrophobicContact CG2-CB 4.24Å; C207-L249 PolarHBondContact N-O 2.9Å; L249-V252 HydrophobicContact CD2-CG2 3.82Å; L249-L266 HydrophobicContact CD2-CB 3.83Å; L249-L266 HydrophobicContact CD2-CD1 4.19Å; L249-L266 HydrophobicContact CD2-CD2 3.64Å; L249-L266 HydrophobicContact CD2-CG 4.06Å; L249-F268 HydrophobicContact CD1-CD1 4.45Å; L249-F268 HydrophobicContact CD1-CE1 3.95Å; L249-F268 HydrophobicContact CG-CD1 4.17Å; L249-F268 HydrophobicContact CG-CE1 4.03Å
250	R	73.2	Confident	75.5	Confident	158 Å²	158	64.4 Å²	64.4	60%	0.596	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.5	-43	-179.3	-173.8	178.9	-179.1	-178.9	-0.9	112	E267	R250-E267 HydrophobicContact CB-CB 4.5Å; R250-E267 PolarHBondContact N-O 3.22Å
251	S	75.8	Confident	75.9	Confident	35 Å²	35	64.5 Å²	64.5	25%	0.245	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	144.7	-177.7	-176.2	0	0	0	0	111	E267	S251-E267 PolarHBondContact N-O 3.42Å; S251-E267 PolarHBondContact O-N 3.07Å
252	V	85.2	Confident	76.4	Confident	6 Å²	6	59.3 Å²	59.3	4%	0.036	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	127.5	175	178.3	0	0	0	0	107.4	I206 W211 N215 L249 L261 C264 L266	I206-V252 HydrophobicContact CG2-CG2 3.99Å; W211-V252 HydrophobicContact CE3-CB 4.38Å; W211-V252 HydrophobicContact CZ3-CB 3.89Å; W211-V252 HydrophobicContact CZ3-CG1 4.21Å; W211-V252 HydrophobicContact CZ3-CG2 4.03Å; N215-V252 PolarHBondContact ND2-O 2.76Å; L249-V252 HydrophobicContact CD2-CG2 3.82Å; V252-L261 HydrophobicContact CG1-CD2 3.67Å; V252-C264 HydrophobicContact CG1-CB 4.44Å; V252-L266 HydrophobicContact CB-CD2 4.12Å; V252-L266 HydrophobicContact CG1-CD2 3.79Å; V252-L266 HydrophobicContact CG2-CD2 3.68Å
253	A	86.9	Confident	77.1	Confident	53 Å²	53	51.1 Å²	51.1	44%	0.438	27%	0.265	S	S	.	.			trans	-132.5	85.1	-177.7	0	0	0	0	0	112	P265	A253-P265 HydrophobicContact CB-CB 4.46Å; A253-P265 PolarHBondContact N-O 3.41Å; A253-P265 VanDerWaalsContact O-CD 3.24Å; A253-P265 WeakPolarHBondContact O-CD 3.48Å
254	C	88.1	Confident	77.9	Confident	8 Å²	8	48 Å²	48	5%	0.054	25%	0.251	C	S	.	.			trans	-88.3	149.3	177.6	-56	0	0	0	0	112.6	K214 N215 V218 C264	K214-C254 WeakPolarHBondContact CB-O 3.39Å; N215-C254 WeakPolarHBondContact OD1-CB 3.36Å; N215-C254 PolarHBondContact OD1-N 3.31Å; V218-C254 HydrophobicContact CG2-CB 3.81Å; C254-C264 HydrophobicContact CB-CB 4.01Å; C254-C264 WeakPolarHBondContact CB-SG 3.48Å; C254-C264 WeakPolarHBondContact SG-CB 3.24Å; C254-C264 CovalentContact SG-SG 2.04Å; C254-C264 PolarHBondContact SG-SG 3.3Å
255	L	87.7	Confident	79	Confident	118 Å²	118	41.5 Å²	41.5	62%	0.618	23%	0.232	S	C	*	.			trans	-74.8	-28.1	170.2	-60.6	177.5	0	0	0	112.3	K214 E258	K214-L255 VanDerWaalsContact CD-O 3.23Å; K214-L255 WeakPolarHBondContact CD-O 3.5Å; K214-L255 WeakPolarHBondContact CE-O 3.26Å; K214-L255 PolarHBondContact NZ-O 3.47Å; L255-E258 WeakPolarHBondContact CB-OE1 3.23Å; L255-E258 WeakPolarHBondContact CG-OE1 3.47Å; L255-E258 VanDerWaalsContact N-CD 3.3Å; L255-E258 PolarHBondContact N-OE1 2.88Å; L255-E258 PolarHBondContact N-OE2 3.24Å
256	G	84.9	Confident	79.8	Confident	2 Å²	2	40.8 Å²	40.8	2%	0.021	23%	0.228	C	C	.	.	S	Bend	trans	104.4	-10.8	179.3	0	0	0	0	0	114.7	R217 E258	R217-G256 WeakPolarHBondContact CD-O 3.37Å; R217-G256 PolarHBondContact NE-O 3.06Å; R217-G256 VanDerWaalsContact NE-O 3.14Å; G256-E258 PolarHBondContact N-OE2 2.74Å
257	S	83.6	Confident	80.4	Confident	21 Å²	21	39.9 Å²	39.9	15%	0.147	22%	0.22	C	C	.	.			trans	-90	-17.6	174.8	50.1	0	0	0	0	112.6	L341 V379	S257-L341 WeakPolarHBondContact O-CD2 3.34Å; S257-V379 VanDerWaalsContact CB-O 3.26Å; S257-V379 WeakPolarHBondContact CB-O 3.26Å
258	E	85	Confident	80.6	Confident	20 Å²	20	42.1 Å²	42.1	9%	0.093	23%	0.23	C	C	.	.			trans	-59.6	144.6	-179.3	-58.9	90.7	153.1	0	0	111.7	V218 L255 G256 A263	V218-E258 HydrophobicContact CG2-CB 4.16Å; L255-E258 WeakPolarHBondContact CB-OE1 3.23Å; L255-E258 WeakPolarHBondContact CG-OE1 3.47Å; L255-E258 VanDerWaalsContact N-CD 3.3Å; L255-E258 PolarHBondContact N-OE1 2.88Å; L255-E258 PolarHBondContact N-OE2 3.24Å; G256-E258 PolarHBondContact N-OE2 2.74Å; E258-A263 HydrophobicContact CB-CB 4.27Å; E258-A263 HydrophobicContact CG-CB 4.29Å
259	V	81.3	Confident	80.5	Confident	13 Å²	13	41.1 Å²	41.1	8%	0.079	23%	0.228	C	C	.	.	S	Bend	trans	-88.1	-23.7	-178.9	-57.8	0	0	0	0	112.6	A165 M222 L340 L341 S344 S354	A165-V259 HydrophobicContact CB-CG2 4.3Å; M222-V259 WeakPolarHBondContact CG-O 3.08Å; V259-L340 HydrophobicContact CG1-CB 4.26Å; V259-L340 HydrophobicContact CG2-CB 4.41Å; V259-L340 HydrophobicContact CG2-CD1 4.22Å; V259-L341 HydrophobicContact CG1-CD2 4.12Å; V259-S344 WeakPolarHBondContact CG1-OG 3.43Å; V259-S354 PolarHBondContact O-OG 2.74Å
260	H	82.4	Confident	80.2	Confident	40 Å²	40	50.9 Å²	50.9	19%	0.185	26%	0.264	C	S	.	.	S	Bend	trans	-142.1	145.7	-175.5	-164.9	-91.7	0	0	0	111.3	V167 V172 M222 A262 A263	V167-H260 HydrophobicContact CG2-CB 4.41Å; V172-H260 PolarHBondContact O-CE1 3.07Å; M222-H260 WeakPolarHBondContact CE-CD2 3.44Å; M222-H260 WeakPolarHBondContact CE-NE2 3.08Å; H260-A262 WeakPolarHBondContact ND1-CB 3.42Å; H260-A262 PolarHBondContact ND1-N 2.91Å; H260-A262 PolarHBondContact O-N 2.92Å; H260-A263 WeakPolarHBondContact O-CB 3.49Å; H260-A263 PolarHBondContact O-N 3.24Å
261	L	81.4	Confident	79.5	Confident	2 Å²	2	49.7 Å²	49.7	1%	0.01	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-60.2	-32.7	179.5	-93.8	-179.7	0	0	0	112.9	V175 V197 I206 V218 V219 M222 V252 A263 C264	V175-L261 HydrophobicContact CG2-CD1 3.91Å; V197-L261 HydrophobicContact CG1-CD1 4.4Å; I206-L261 HydrophobicContact CD1-CD1 4.5Å; V218-L261 HydrophobicContact CG1-CD2 4.38Å; V218-L261 HydrophobicContact CG1-CG 4.33Å; V219-L261 HydrophobicContact CG2-CD1 3.64Å; V219-L261 HydrophobicContact CG2-CD2 4.07Å; V219-L261 HydrophobicContact CG2-CG 3.96Å; M222-L261 HydrophobicContact SD-CB 3.8Å; M222-L261 HydrophobicContact SD-CD1 4.4Å; M222-L261 HydrophobicContact SD-CG 3.84Å; M222-L261 PolarHBondContact SD-N 3.15Å; V252-L261 HydrophobicContact CG1-CD2 3.67Å; L261-A263 PolarHBondContact O-N 3.47Å; L261-C264 VanDerWaalsContact O-CB 3.31Å; L261-C264 WeakPolarHBondContact O-CB 3.44Å; L261-C264 PolarHBondContact O-N 3.28Å
262	A	76.9	Confident	78.4	Confident	12 Å²	12	55.5 Å²	55.5	10%	0.099	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-68.4	-17.1	177.9	0	0	0	0	0	113.8	V167 H260 C264	V167-A262 HydrophobicContact CB-CB 4.37Å; V167-A262 HydrophobicContact CG1-CB 3.4Å; V167-A262 VanDerWaalsContact CG1-CB 3.4Å; V167-A262 HydrophobicContact CG2-CB 4.23Å; H260-A262 WeakPolarHBondContact ND1-CB 3.42Å; H260-A262 PolarHBondContact ND1-N 2.91Å; H260-A262 PolarHBondContact O-N 2.92Å; A262-C264 VanDerWaalsContact C-N 3.28Å
263	A	76.9	Confident	77.1	Confident	49 Å²	49	57.5 Å²	57.5	41%	0.405	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-81.4	-10.6	171.3	0	0	0	0	0	112.4	E258 H260 L261	E258-A263 HydrophobicContact CB-CB 4.27Å; E258-A263 HydrophobicContact CG-CB 4.29Å; H260-A263 WeakPolarHBondContact O-CB 3.49Å; H260-A263 PolarHBondContact O-N 3.24Å; L261-A263 PolarHBondContact O-N 3.47Å
264	C	81.6	Confident	75.4	Confident	6 Å²	6	62.4 Å²	62.4	4%	0.041	35%	0.347	C	S	.	.	S	Bend	trans	-83.4	153.6	174	-52	0	0	0	0	110.7	V252 C254 L261 A262 L266	V252-C264 HydrophobicContact CG1-CB 4.44Å; C254-C264 HydrophobicContact CB-CB 4.01Å; C254-C264 WeakPolarHBondContact CB-SG 3.48Å; C254-C264 WeakPolarHBondContact SG-CB 3.24Å; C254-C264 CovalentContact SG-SG 2.04Å; C254-C264 PolarHBondContact SG-SG 3.3Å; L261-C264 VanDerWaalsContact O-CB 3.31Å; L261-C264 WeakPolarHBondContact O-CB 3.44Å; L261-C264 PolarHBondContact O-N 3.28Å; A262-C264 VanDerWaalsContact C-N 3.28Å; C264-L266 HydrophobicContact CB-CD2 4.49Å; C264-L266 WeakPolarHBondContact O-CG 3.13Å; C264-L266 PolarHBondContact O-N 3.31Å
265	P	82.3	Confident	74	Confident	86 Å²	86	65 Å²	65	56%	0.558	37%	0.369	S	S	*	.			trans	-54.4	119.3	160.7	-27	31	0	0	0	112	A253	A253-P265 HydrophobicContact CB-CB 4.46Å; A253-P265 PolarHBondContact N-O 3.41Å; A253-P265 VanDerWaalsContact O-CD 3.24Å; A253-P265 WeakPolarHBondContact O-CD 3.48Å
266	L	81	Confident	72.7	Confident	22 Å²	22	61.5 Å²	61.5	12%	0.115	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	135.4	-178.4	-59.6	177.1	0	0	0	111.3	K171 V172 L249 V252 C264 F268	K171-L266 HydrophobicContact CB-CD1 3.96Å; K171-L266 HydrophobicContact CD-CD1 4.36Å; V172-L266 HydrophobicContact CG2-CD1 3.94Å; L249-L266 HydrophobicContact CD2-CB 3.83Å; L249-L266 HydrophobicContact CD2-CD1 4.19Å; L249-L266 HydrophobicContact CD2-CD2 3.64Å; L249-L266 HydrophobicContact CD2-CG 4.06Å; V252-L266 HydrophobicContact CB-CD2 4.12Å; V252-L266 HydrophobicContact CG1-CD2 3.79Å; V252-L266 HydrophobicContact CG2-CD2 3.68Å; C264-L266 HydrophobicContact CB-CD2 4.49Å; C264-L266 WeakPolarHBondContact O-CG 3.13Å; C264-L266 PolarHBondContact O-N 3.31Å; L266-F268 HydrophobicContact CB-CE2 4.22Å; L266-F268 HydrophobicContact CD1-CZ 4.47Å
267	E	79.2	Confident	72.1	Confident	113 Å²	113	62.2 Å²	62.2	53%	0.528	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	121.1	171.8	-65.8	-176.5	178.1	0	0	111.3	R250 S251	R250-E267 HydrophobicContact CB-CB 4.5Å; R250-E267 PolarHBondContact N-O 3.22Å; S251-E267 PolarHBondContact N-O 3.42Å; S251-E267 PolarHBondContact O-N 3.07Å
268	F	76.3	Confident	71.4	Confident	70 Å²	70	65.4 Å²	65.4	31%	0.307	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	148.7	177.9	-66.6	-89	0	0	0	112.2	K171 L248 L249 L266	K171-F268 HydrophobicContact CB-CE2 4.24Å; K171-F268 HydrophobicContact CB-CZ 3.87Å; K171-F268 HydrophobicContact CD-CE2 4.12Å; K171-F268 HydrophobicContact CG-CE2 3.84Å; K171-F268 HydrophobicContact CG-CZ 3.97Å; K171-F268 WeakPolarHBondContact O-CZ 3.24Å; L248-F268 HydrophobicContact CG-CD1 4.24Å; L249-F268 HydrophobicContact CD1-CD1 4.45Å; L249-F268 HydrophobicContact CD1-CE1 3.95Å; L249-F268 HydrophobicContact CG-CD1 4.17Å; L249-F268 HydrophobicContact CG-CE1 4.03Å; L266-F268 HydrophobicContact CB-CE2 4.22Å; L266-F268 HydrophobicContact CD1-CZ 4.47Å
269	S	68.4	Low	70.6	Confident	28 Å²	28	68.7 Å²	68.7	20%	0.196	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-71.3	137.1	173.9	-173	0	0	0	0	111.5	L248 T276	L248-S269 PolarHBondContact O-N 2.92Å; S269-T276 WeakPolarHBondContact OG-CG2 3.27Å
270	R	65.9	Low	70.4	Confident	207 Å²	207	68.9 Å²	68.9	78%	0.781	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-75.5	147.3	175.9	-66.1	-175.8	-178.2	179.8	0.3	110.6	N272 A273	R270-N272 PolarHBondContact O-N 2.9Å; R270-N272 VanDerWaalsContact O-N 3.08Å; R270-A273 PolarHBondContact O-N 3.27Å
271	P	58.3	Low	70.4	Confident	133 Å²	133	68 Å²	68	86%	0.864	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-25.7	-179.4	-24.6	32.5	0	0	0	115.2
272	N	53.8	Low	70.6	Confident	157 Å²	157	67.9 Å²	67.9	84%	0.84	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	20.3	-174.6	-71.6	-5.8	0	0	0	114.4	R270	R270-N272 PolarHBondContact O-N 2.9Å; R270-N272 VanDerWaalsContact O-N 3.08Å
273	A	56.5	Low	71.2	Confident	47 Å²	47	67.4 Å²	67.4	39%	0.388	42%	0.42	S	S	.	.			trans	-83.6	124.2	178.9	0	0	0	0	0	111.8	R270 A275	R270-A273 PolarHBondContact O-N 3.27Å; A273-A275 VanDerWaalsContact C-N 3.32Å; A273-A275 PolarHBondContact O-N 3.13Å
274	T	52.8	Low	71.8	Confident	157 Å²	157	66 Å²	66	96%	0.963	41%	0.406	S	S	*	.	S	Bend	trans	-74	-16.8	-178.6	44.7	0	0	0	0	114.4
275	A	57.1	Low	72.3	Confident	63 Å²	63	65.7 Å²	65.7	52%	0.521	41%	0.405	S	S	.	.			trans	-148.8	120.4	168.5	0	0	0	0	0	109	A273 A278	A273-A275 VanDerWaalsContact C-N 3.32Å; A273-A275 PolarHBondContact O-N 3.13Å; A275-A278 HydrophobicContact CB-CB 4.5Å
276	T	62.1	Low	72.8	Confident	43 Å²	43	61.7 Å²	61.7	26%	0.264	38%	0.379	S	S	.	.	S	Bend	trans	-84	-17.8	-175.4	45.1	0	0	0	0	113.5	Y247 S269	Y247-T276 WeakPolarHBondContact CD2-OG1 3.16Å; S269-T276 WeakPolarHBondContact OG-CG2 3.27Å
277	C	71.6	Confident	73.3	Confident	17 Å²	17	60.7 Å²	60.7	12%	0.115	37%	0.373	C	S	.	.	S	Bend	trans	-151.8	78.4	176.7	-173	0	0	0	0	109.7	C207 Y247 G279 G280	C207-C277 HydrophobicContact CB-CB 3.77Å; C207-C277 WeakPolarHBondContact CB-SG 3.42Å; C207-C277 WeakPolarHBondContact SG-CB 3.32Å; C207-C277 CovalentContact SG-SG 2.04Å; C207-C277 PolarHBondContact SG-SG 2.89Å; Y247-C277 HydrophobicContact CD1-CB 4.21Å; Y247-C277 HydrophobicContact CD2-CB 3.68Å; Y247-C277 HydrophobicContact CE1-CB 4.28Å; Y247-C277 HydrophobicContact CE2-CB 3.72Å; Y247-C277 HydrophobicContact CG-CB 3.91Å; C277-G279 PolarHBondContact O-N 2.99Å; C277-G279 VanDerWaalsContact O-N 3.14Å; C277-G280 PolarHBondContact O-N 2.67Å; C277-G280 VanDerWaalsContact SG-C 3.58Å; C277-G280 WeakPolarHBondContact SG-CA 3.45Å
278	A	68.2	Low	73.9	Confident	89 Å²	89	58.8 Å²	58.8	74%	0.736	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	110.2	-176.5	0	0	0	0	0	111.3	A275 G280	A275-A278 HydrophobicContact CB-CB 4.5Å; A278-G280 VanDerWaalsContact C-N 3.31Å; A278-G280 PolarHBondContact O-N 2.86Å
279	G	69.7	Low	74.6	Confident	89 Å²	89	57.1 Å²	57.1	92%	0.918	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.4	5.8	179	0	0	0	0	0	115.5	C277	C277-G279 PolarHBondContact O-N 2.99Å; C277-G279 VanDerWaalsContact O-N 3.14Å
280	G	75.7	Confident	75.5	Confident	16 Å²	16	56 Å²	56	17%	0.165	35%	0.354	C	S	.	.			trans	-105.5	167.5	176.1	0	0	0	0	0	113.3	D208 C277 A278	D208-G280 WeakPolarHBondContact OD1-CA 3.41Å; C277-G280 PolarHBondContact O-N 2.67Å; C277-G280 VanDerWaalsContact SG-C 3.58Å; C277-G280 WeakPolarHBondContact SG-CA 3.45Å; A278-G280 VanDerWaalsContact C-N 3.31Å; A278-G280 PolarHBondContact O-N 2.86Å
281	M	82.5	Confident	76.3	Confident	21 Å²	21	47 Å²	47	10%	0.103	32%	0.323	C	S	.	.			trans	-120.6	167.5	179.6	4.1	-171.9	-62.4	0	0	110.1	D208 K237 V283	D208-M281 VanDerWaalsContact CB-O 3.26Å; D208-M281 WeakPolarHBondContact CB-O 3.4Å; D208-M281 PolarHBondContact N-O 3.49Å; D208-M281 PolarHBondContact OD1-N 3.09Å; D208-M281 VanDerWaalsContact OD1-O 3.14Å; K237-M281 HydrophobicContact CB-CE 4.14Å; K237-M281 HydrophobicContact CB-SD 3.73Å; K237-M281 HydrophobicContact CD-SD 4.23Å; K237-M281 HydrophobicContact CG-SD 3.65Å; M281-V283 PolarHBondContact O-N 2.73Å
282	P	86.1	Confident	77.4	Confident	1 Å²	1	45 Å²	45	1%	0.006	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-59.7	138.6	170.8	-21.6	34.5	0	0	0	111	V194 Q205 I206 L240 N245 Y247 V284	V194-P282 HydrophobicContact CG1-CB 3.7Å; V194-P282 HydrophobicContact CG2-CB 4.34Å; Q205-P282 HydrophobicContact CB-CB 4.45Å; Q205-P282 VanDerWaalsContact OE1-CG 3.26Å; I206-P282 WeakPolarHBondContact O-CA 3.25Å; L240-P282 HydrophobicContact CB-CG 4.43Å; N245-P282 HydrophobicContact CB-CG 4.47Å; N245-P282 WeakPolarHBondContact ND2-CG 3.32Å; Y247-P282 HydrophobicContact CE1-CB 4.38Å; Y247-P282 HydrophobicContact CE1-CG 3.99Å; Y247-P282 WeakPolarHBondContact OH-CD 3.34Å; P282-V284 PolarHBondContact O-N 3.44Å
283	V	88.6	Confident	78.9	Confident	1 Å²	1	37.9 Å²	37.9	1%	0.006	27%	0.266	C	S	.	.			trans	-59.4	125	175.6	171.5	0	0	0	0	110.2	V194 V195 I206 C207 D208 W211 M281 V285	V194-V283 VanDerWaalsContact CA-O 3.32Å; V194-V283 WeakPolarHBondContact CA-O 2.94Å; V195-V283 HydrophobicContact CB-CG1 4.36Å; V195-V283 HydrophobicContact CG2-CB 4.48Å; V195-V283 HydrophobicContact CG2-CG1 3.85Å; V195-V283 PolarHBondContact N-O 2.96Å; I206-V283 HydrophobicContact CB-CB 4.48Å; I206-V283 HydrophobicContact CB-CG2 4.04Å; I206-V283 HydrophobicContact CG2-CG2 4.05Å; I206-V283 WeakPolarHBondContact O-CG2 3.49Å; I206-V283 PolarHBondContact O-N 3.39Å; C207-V283 WeakPolarHBondContact O-CG2 3.49Å; D208-V283 HydrophobicContact CB-CG2 3.89Å; W211-V283 HydrophobicContact CB-CG2 4.29Å; W211-V283 HydrophobicContact CD2-CB 4.36Å; W211-V283 HydrophobicContact CD2-CG1 3.67Å; W211-V283 HydrophobicContact CD2-CG2 3.65Å; W211-V283 VanDerWaalsContact CE2-CG1 3.45Å; W211-V283 HydrophobicContact CE3-CB 4.48Å; W211-V283 HydrophobicContact CE3-CG1 4.15Å; W211-V283 HydrophobicContact CE3-CG2 3.55Å; W211-V283 HydrophobicContact CG-CG1 4.11Å; W211-V283 HydrophobicContact CG-CG2 3.99Å; W211-V283 HydrophobicContact CH2-CG1 4.2Å; W211-V283 HydrophobicContact CZ2-CG1 3.74Å; W211-V283 HydrophobicContact CZ3-CG1 4.39Å; W211-V283 HydrophobicContact CZ3-CG2 4.12Å; M281-V283 PolarHBondContact O-N 2.73Å; V283-V285 HydrophobicContact CG1-CG1 3.79Å
284	V	90.1	Very high	80	Confident	19 Å²	19	36.9 Å²	36.9	12%	0.115	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	127.7	169.2	-174.1	0	0	0	0	108.8	G193 V194 V231 Y236 L240 P282	G193-V284 WeakPolarHBondContact O-CA 3.22Å; V194-V284 HydrophobicContact CG2-CG2 4.06Å; V231-V284 HydrophobicContact CG1-CB 4.25Å; V231-V284 HydrophobicContact CG1-CG1 3.85Å; V231-V284 HydrophobicContact CG2-CG1 4.45Å; Y236-V284 HydrophobicContact CD2-CB 4.44Å; Y236-V284 HydrophobicContact CD2-CG1 3.91Å; Y236-V284 HydrophobicContact CD2-CG2 4.37Å; Y236-V284 HydrophobicContact CE2-CG1 3.91Å; Y236-V284 HydrophobicContact CG-CG1 4.36Å; Y236-V284 HydrophobicContact CG-CG2 4.2Å; L240-V284 HydrophobicContact CD1-CG2 3.65Å; P282-V284 PolarHBondContact O-N 3.44Å
285	V	92.1	Very high	80.7	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.006	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	154	177.1	-62.2	0	0	0	0	110.9	L177 E192 G193 V195 W211 T216 V219 V283	L177-V285 HydrophobicContact CD1-CG2 4.24Å; L177-V285 HydrophobicContact CD2-CG2 3.27Å; L177-V285 HydrophobicContact CG-CG2 4.4Å; E192-V285 VanDerWaalsContact CA-O 3.3Å; E192-V285 WeakPolarHBondContact CA-O 3.45Å; G193-V285 PolarHBondContact N-O 3.2Å; G193-V285 VanDerWaalsContact N-O 3.09Å; G193-V285 PolarHBondContact O-N 3.26Å; V195-V285 HydrophobicContact CG2-CB 4.13Å; V195-V285 HydrophobicContact CG2-CG1 3.61Å; V195-V285 HydrophobicContact CG2-CG2 3.43Å; V195-V285 VanDerWaalsContact CG2-CG2 3.43Å; W211-V285 HydrophobicContact CZ2-CG1 4.2Å; T216-V285 HydrophobicContact CG2-CB 3.86Å; T216-V285 HydrophobicContact CG2-CG1 3.78Å; V219-V285 HydrophobicContact CG1-CG2 4.25Å; V283-V285 HydrophobicContact CG1-CG1 3.79Å
286	S	92.1	Very high	80.9	Confident	2 Å²	2	36.6 Å²	36.6	1%	0.014	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	128.5	173	-171.7	0	0	0	0	108.6	T191 E192 R229	T191-S286 CarbonylContact O-C 3.54Å; T191-S286 WeakPolarHBondContact O-CA 3.05Å; E192-S286 WeakPolarHBondContact OE2-CB 3.42Å; E192-S286 PolarHBondContact OE2-OG 2.96Å; R229-S286 PolarHBondContact N-O 3.22Å
287	C	93.1	Very high	80.5	Confident	1 Å²	1	38.8 Å²	38.8	1%	0.007	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	151.2	-175.1	-55.4	0	0	0	0	110.6	T191 C220 F225	T191-C287 PolarHBondContact O-N 3.28Å; C220-C287 WeakPolarHBondContact CA-SG 3.1Å; C220-C287 HydrophobicContact CB-CB 3.82Å; C220-C287 WeakPolarHBondContact CB-SG 3.22Å; C220-C287 VanDerWaalsContact SG-CA 3.53Å; C220-C287 WeakPolarHBondContact SG-CB 3.17Å; C220-C287 CovalentContact SG-SG 2.04Å; C220-C287 PolarHBondContact SG-SG 2.97Å; F225-C287 HydrophobicContact CB-CB 3.62Å; F225-C287 HydrophobicContact CD1-CB 3.97Å; F225-C287 HydrophobicContact CD2-CB 3.49Å; F225-C287 VanDerWaalsContact CD2-CB 3.49Å; F225-C287 HydrophobicContact CE2-CB 4.1Å; F225-C287 HydrophobicContact CG-CB 3.41Å; F225-C287 VanDerWaalsContact CG-CB 3.41Å
288	M	91	Very high	79.6	Confident	73 Å²	73	41.3 Å²	41.3	36%	0.36	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	119.4	176.3	-58.8	-157.9	-78.8	0	0	110.2	P226 H227 R229	P226-M288 WeakPolarHBondContact CD-O 3.5Å; H227-M288 HydrophobicContact CB-CB 4.24Å; H227-M288 HydrophobicContact CB-CE 3.34Å; H227-M288 HydrophobicContact CB-CG 4.47Å; H227-M288 PolarHBondContact O-N 3.33Å; R229-M288 VanDerWaalsContact CD-CG 3.48Å; R229-M288 HydrophobicContact CG-CG 3.33Å; R229-M288 HydrophobicContact CG-SD 3.55Å; R229-M288 VanDerWaalsContact CG-SD 3.55Å
289	P	90.3	Very high	79	Confident	35 Å²	35	41.2 Å²	41.2	23%	0.227	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-64.9	139.7	170.5	25.8	-29.2	0	0	0	110.6	T191 F225 F293 M294	T191-P289 HydrophobicContact CG2-CB 4.5Å; T191-P289 HydrophobicContact CG2-CG 4.02Å; F225-P289 HydrophobicContact CD1-CB 4.31Å; F225-P289 HydrophobicContact CE1-CB 4.17Å; P289-F293 HydrophobicContact CB-CB 3.97Å; P289-M294 HydrophobicContact CB-CG 4.24Å; P289-M294 HydrophobicContact CG-CG 3.94Å; P289-M294 WeakPolarHBondContact O-CG 3.41Å
290	G	87.2	Confident	78.2	Confident	3 Å²	3	41.3 Å²	41.3	3%	0.031	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-64.6	166.6	168.8	0	0	0	0	0	112.2	L292 F293 M294 G351	G290-L292 PolarHBondContact O-N 3.05Å; G290-L292 VanDerWaalsContact O-N 3.1Å; G290-F293 PolarHBondContact O-N 3.32Å; G290-M294 WeakPolarHBondContact O-CG 3.45Å; G290-M294 PolarHBondContact O-N 2.95Å; G290-G351 WeakPolarHBondContact CA-O 3.27Å
291	P	83.8	Confident	77	Confident	20 Å²	20	49.9 Å²	49.9	13%	0.13	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-56.9	-32.4	-171.4	-32.3	43.2	0	0	0	114.9	F293 K300 V303 V305	P291-F293 VanDerWaalsContact C-N 3.32Å; P291-F293 PolarHBondContact O-N 2.71Å; P291-K300 WeakPolarHBondContact O-CE 3.28Å; P291-V303 HydrophobicContact CG-CB 3.73Å; P291-V303 HydrophobicContact CG-CG1 3.37Å; P291-V305 HydrophobicContact CB-CG2 3.82Å; P291-V305 HydrophobicContact CG-CG2 3.55Å
292	L	82	Confident	75.5	Confident	89 Å²	89	57 Å²	57	47%	0.466	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-65.5	-34.6	176.5	-63.2	177.2	0	0	0	112.4	G290 F352	G290-L292 PolarHBondContact O-N 3.05Å; G290-L292 VanDerWaalsContact O-N 3.1Å; L292-F352 HydrophobicContact CD1-CE1 4.02Å; L292-F352 HydrophobicContact CD1-CZ 3.99Å
293	F	85.5	Confident	74.1	Confident	9 Å²	9	60.3 Å²	60.3	4%	0.039	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-99.1	0.9	-174.7	-53	-75.1	0	0	0	113.8	P189 P289 G290 P291 F352 I410 P411 M413 M500	P189-F293 HydrophobicContact CG-CB 4.37Å; P289-F293 HydrophobicContact CB-CB 3.97Å; G290-F293 PolarHBondContact O-N 3.32Å; P291-F293 VanDerWaalsContact C-N 3.32Å; P291-F293 PolarHBondContact O-N 2.71Å; F293-F352 AromaticContact CE2-CD1 3.84Å; F293-F352 HydrophobicContact CE2-CD1 3.84Å; F293-F352 AromaticContact CE2-CE1 3.92Å; F293-F352 HydrophobicContact CE2-CE1 3.92Å; F293-F352 HydrophobicContact CZ-CD1 4.29Å; F293-F352 HydrophobicContact CZ-CE1 4.14Å; F293-I410 HydrophobicContact CZ-CB 4.06Å; F293-I410 HydrophobicContact CZ-CG2 4.28Å; F293-P411 HydrophobicContact CD1-CG 4.43Å; F293-P411 HydrophobicContact CD2-CG 3.98Å; F293-P411 HydrophobicContact CE2-CG 4.3Å; F293-P411 HydrophobicContact CG-CG 4.06Å; F293-M413 HydrophobicContact CD1-CG 4.18Å; F293-M413 HydrophobicContact CD1-SD 4.04Å; F293-M413 HydrophobicContact CE1-CG 4.38Å; F293-M500 HydrophobicContact CD1-SD 4.35Å; F293-M500 HydrophobicContact CE1-SD 3.82Å
294	M	79.1	Confident	72.4	Confident	25 Å²	25	69.8 Å²	69.8	12%	0.123	35%	0.354	C	S	.	.			trans	-76.3	130	178.4	-75.7	172	63.8	0	0	111.6	P289 G290 L299 K300 V303	P289-M294 HydrophobicContact CB-CG 4.24Å; P289-M294 HydrophobicContact CG-CG 3.94Å; P289-M294 WeakPolarHBondContact O-CG 3.41Å; G290-M294 WeakPolarHBondContact O-CG 3.45Å; G290-M294 PolarHBondContact O-N 2.95Å; M294-L299 HydrophobicContact CE-CB 3.18Å; M294-L299 HydrophobicContact CE-CG 4.47Å; M294-K300 HydrophobicContact CB-CG 3.9Å; M294-K300 WeakPolarHBondContact O-CE 3.46Å; M294-K300 PolarHBondContact O-NZ 2.97Å; M294-V303 HydrophobicContact CE-CG2 4.37Å; M294-V303 HydrophobicContact SD-CG2 4.06Å
295	Q	66.5	Low	71	Confident	136 Å²	136	72.2 Å²	72.2	64%	0.636	37%	0.368	S	S	*	.	S	Bend	trans	-81	-23.2	177	-65.5	-175	-14.1	0	0	113.4	L188	L188-Q295 PolarHBondContact O-NE2 3.25Å
296	N	61.5	Low	69.7	Low	79 Å²	79	73.8 Å²	73.8	42%	0.422	38%	0.379	S	S	.	.			trans	-97.7	110	-175.2	-170.2	-13.4	0	0	0	112	S298 L299 K300	N296-S298 PolarHBondContact ND2-OG 3.33Å; N296-S298 PolarHBondContact O-N 3.46Å; N296-S298 PolarHBondContact OD1-N 3.1Å; N296-S298 VanDerWaalsContact OD1-N 3.13Å; N296-S298 PolarHBondContact OD1-OG 3.29Å; N296-L299 HydrophobicContact CB-CD1 4.18Å; N296-L299 PolarHBondContact O-N 2.92Å; N296-L299 VanDerWaalsContact O-N 3.14Å; N296-K300 PolarHBondContact O-N 2.89Å; N296-K300 VanDerWaalsContact O-N 3.09Å
297	S	54.3	Low	68.7	Low	88 Å²	88	77.5 Å²	77.5	62%	0.615	41%	0.405	S	S	*	.	H	α-helix	trans	-58.3	-30.7	-179.6	57.1	0	0	0	0	114.1	K300 K301	S297-K300 PolarHBondContact O-N 2.76Å; S297-K301 PolarHBondContact O-N 2.75Å
298	S	53.4	Low	68.6	Low	70 Å²	70	80.5 Å²	80.5	49%	0.49	42%	0.421	S	S	.	.	H	α-helix	trans	-73.7	-27.2	179.2	60.1	0	0	0	0	113.4	N296	N296-S298 PolarHBondContact ND2-OG 3.33Å; N296-S298 PolarHBondContact O-N 3.46Å; N296-S298 PolarHBondContact OD1-N 3.1Å; N296-S298 VanDerWaalsContact OD1-N 3.13Å; N296-S298 PolarHBondContact OD1-OG 3.29Å
299	L	54.2	Low	68.7	Low	88 Å²	88	77.2 Å²	77.2	46%	0.461	41%	0.405	S	S	.	.	H	α-helix	trans	-84.9	-29.6	171.2	-72	162.4	0	0	0	111.4	M294 N296 K301 K302	M294-L299 HydrophobicContact CE-CB 3.18Å; M294-L299 HydrophobicContact CE-CG 4.47Å; N296-L299 HydrophobicContact CB-CD1 4.18Å; N296-L299 PolarHBondContact O-N 2.92Å; N296-L299 VanDerWaalsContact O-N 3.14Å; L299-K301 VanDerWaalsContact C-N 3.3Å; L299-K301 PolarHBondContact O-N 3.37Å; L299-K302 PolarHBondContact O-N 3.28Å
300	K	54	Low	68.9	Low	90 Å²	90	77.7 Å²	77.7	39%	0.391	40%	0.402	S	S	.	.	H	α-helix	trans	-56.3	-42.5	173.1	-76.3	-165.3	-176.6	-165.4	0	112.1	P291 M294 N296 S297 K302 V303	P291-K300 WeakPolarHBondContact O-CE 3.28Å; M294-K300 HydrophobicContact CB-CG 3.9Å; M294-K300 WeakPolarHBondContact O-CE 3.46Å; M294-K300 PolarHBondContact O-NZ 2.97Å; N296-K300 PolarHBondContact O-N 2.89Å; N296-K300 VanDerWaalsContact O-N 3.09Å; S297-K300 PolarHBondContact O-N 2.76Å; K300-K302 PolarHBondContact O-N 3.03Å; K300-K302 VanDerWaalsContact O-N 3.16Å; K300-V303 PolarHBondContact O-N 3.18Å
301	K	50.6	Low	69.2	Low	196 Å²	196	79.2 Å²	79.2	85%	0.852	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-17	177.6	-71.8	-173.7	179	-176.1	0	114.3	S297 L299	S297-K301 PolarHBondContact O-N 2.75Å; L299-K301 VanDerWaalsContact C-N 3.3Å; L299-K301 PolarHBondContact O-N 3.37Å
302	K	50.6	Low	69.6	Low	172 Å²	172	79.4 Å²	79.4	75%	0.748	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-13.1	-178.6	-69.1	-173.5	177.8	-177	0	113.8	L299 K300	L299-K302 PolarHBondContact O-N 3.28Å; K300-K302 PolarHBondContact O-N 3.03Å; K300-K302 VanDerWaalsContact O-N 3.16Å
303	V	55.8	Low	69.9	Low	70 Å²	70	75.4 Å²	75.4	42%	0.424	39%	0.388	S	S	.	.			trans	-100.5	110.5	-179.3	-172.5	0	0	0	0	109	P291 M294 K300 V305	P291-V303 HydrophobicContact CG-CB 3.73Å; P291-V303 HydrophobicContact CG-CG1 3.37Å; M294-V303 HydrophobicContact CE-CG2 4.37Å; M294-V303 HydrophobicContact SD-CG2 4.06Å; K300-V303 PolarHBondContact O-N 3.18Å; V303-V305 PolarHBondContact O-N 2.03Å
304	K	53.9	Low	70.1	Confident	200 Å²	200	76 Å²	76	87%	0.87	40%	0.397	S	S	*	.			trans	-79.8	104.6	175	-169	176.7	-178	-177.4	0	108.2
305	V	61.2	Low	70.4	Confident	70 Å²	70	75.3 Å²	75.3	42%	0.424	40%	0.396	S	S	.	.			trans	-67.9	141	167.8	-178.2	0	0	0	0	107.9	P291 V303 S307	P291-V305 HydrophobicContact CB-CG2 3.82Å; P291-V305 HydrophobicContact CG-CG2 3.55Å; V303-V305 PolarHBondContact O-N 2.03Å; V305-S307 PolarHBondContact O-N 2.98Å
306	S	63.3	Low	71.2	Confident	33 Å²	33	73.9 Å²	73.9	23%	0.231	39%	0.385	C	S	.	.			trans	-60.7	127.6	175	-173.4	0	0	0	0	109.6	N308 E349	S306-N308 VanDerWaalsContact C-N 3.26Å; S306-N308 PolarHBondContact OG-N 3.16Å; S306-E349 WeakPolarHBondContact CB-OE1 3.08Å; S306-E349 PolarHBondContact OG-OE1 3.08Å
307	S	71.9	Confident	72.5	Confident	80 Å²	80	72.5 Å²	72.5	56%	0.559	38%	0.377	S	S	*	.	S	Bend	trans	-85.5	0.8	173	51.3	0	0	0	0	112.6	V305 W330	V305-S307 PolarHBondContact O-N 2.98Å; S307-W330 WeakPolarHBondContact O-CH2 3.5Å
308	N	90.1	Very high	74.2	Confident	64 Å²	64	68.5 Å²	68.5	34%	0.342	35%	0.349	S	S	.	.	S	Bend	trans	-107.3	-2	-164.8	-60.1	-2.4	0	0	0	113.7	S306 V324 L325	S306-N308 VanDerWaalsContact C-N 3.26Å; S306-N308 PolarHBondContact OG-N 3.16Å; N308-V324 WeakPolarHBondContact O-CA 3.4Å; N308-L325 HydrophobicContact CB-CB 4.43Å; N308-L325 PolarHBondContact O-N 3.37Å
309	V	94.3	Very high	76	Confident	5 Å²	5	66.6 Å²	66.6	3%	0.03	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	140	176.5	-175.2	0	0	0	0	108.5	V322 E323 V324 V346 E349 L350 I385	V309-V322 HydrophobicContact CG1-CG1 4.16Å; V309-E323 CarbonylContact C-O 3.59Å; V309-E323 WeakPolarHBondContact CA-O 3.34Å; V309-V324 HydrophobicContact CG1-CG1 4.5Å; V309-V324 HydrophobicContact CG2-CG1 4.2Å; V309-V346 HydrophobicContact CG1-CG1 3.94Å; V309-E349 WeakPolarHBondContact CG2-OE1 3.29Å; V309-E349 WeakPolarHBondContact CG2-OE2 3.44Å; V309-L350 HydrophobicContact CB-CD2 4.49Å; V309-L350 WeakPolarHBondContact O-CD2 3.47Å; V309-I385 HydrophobicContact CG2-CG2 3.67Å
310	R	93.6	Very high	77.9	Confident	44 Å²	44	62.4 Å²	62.4	17%	0.166	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	161.8	174.4	71.5	-173.4	-174	178.3	8.7	111.2	K312 E323 W330 D733	R310-K312 HydrophobicContact CG-CG 4.45Å; R310-E323 HydrophobicContact CG-CB 3.83Å; R310-E323 IonicContact CZ-OE2 4Å; R310-E323 PolarHBondContact N-O 2.94Å; R310-E323 IonicContact NE-OE2 2.78Å; R310-E323 PolarHBondContact NE-OE2 3.45Å; R310-E323 IonicContact NH2-OE2 2.79Å; R310-E323 PolarHBondContact NH2-OE2 3.2Å; R310-E323 PolarHBondContact O-N 3.29Å; R310-W330 HydrophobicContact CB-CH2 3.93Å; R310-W330 HydrophobicContact CB-CZ3 3.99Å; R310-W330 HydrophobicContact CG-CD2 4.29Å; R310-W330 HydrophobicContact CG-CE3 3.79Å; R310-W330 HydrophobicContact CG-CH2 3.86Å; R310-W330 HydrophobicContact CG-CZ2 4.35Å; R310-W330 HydrophobicContact CG-CZ3 3.56Å; R310-W330 VanDerWaalsContact CZ-CG 3.46Å; R310-W330 VanDerWaalsContact NH1-CD1 3.31Å; R310-D733 IonicContact CZ-OD2 3.15Å; R310-D733 PolarHBondContact NH1-O 3.08Å; R310-D733 IonicContact NH1-OD2 2.97Å; R310-D733 PolarHBondContact NH2-O 3.02Å; R310-D733 VanDerWaalsContact NH2-O 3.11Å; R310-D733 IonicContact NH2-OD2 2.92Å; R310-D733 PolarHBondContact NH2-OD2 3.28Å
311	L	94.3	Very high	79.8	Confident	35 Å²	35	58.4 Å²	58.4	18%	0.183	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	130.4	173.7	-58.1	-179.5	0	0	0	109.6	R321 V322 V346 L350 V406	L311-R321 VanDerWaalsContact CA-O 3.29Å; L311-R321 WeakPolarHBondContact CA-O 3.33Å; L311-V322 HydrophobicContact CD2-CG2 4Å; L311-V346 HydrophobicContact CD2-CG1 4.17Å; L311-L350 HydrophobicContact CD1-CD1 3.69Å; L311-L350 HydrophobicContact CD2-CD1 4Å; L311-L350 HydrophobicContact CG-CD1 3.53Å; L311-V406 HydrophobicContact CD1-CG2 3.82Å; L311-V406 HydrophobicContact CD2-CG2 3.5Å; L311-V406 VanDerWaalsContact CD2-CG2 3.5Å; L311-V406 HydrophobicContact CG-CG2 4.33Å
312	K	92.8	Very high	82	Confident	25 Å²	25	49.1 Å²	49.1	11%	0.109	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	159	177.9	-66.1	-49.9	-153.4	87.8	0	112.6	R310 G314 G320 R321 E323 D707 T709 D733	R310-K312 HydrophobicContact CG-CG 4.45Å; K312-G314 PolarHBondContact O-N 2.87Å; K312-G314 VanDerWaalsContact O-N 3.09Å; K312-G320 CarbonylContact O-C 3.58Å; K312-G320 WeakPolarHBondContact O-CA 3.18Å; K312-R321 PolarHBondContact N-O 2.79Å; K312-R321 PolarHBondContact O-N 2.88Å; K312-E323 WeakPolarHBondContact CG-OE2 3.01Å; K312-D707 WeakPolarHBondContact CD-OD2 3.28Å; K312-D707 IonicContact NZ-OD1 2.73Å; K312-D707 IonicContact NZ-OD2 2.66Å; K312-D707 PolarHBondContact NZ-OD2 2.99Å; K312-T709 PolarHBondContact NZ-OG1 3.27Å; K312-D733 IonicContact NZ-OD2 2.83Å; K312-D733 PolarHBondContact NZ-OD2 3.38Å
313	G	88.3	Confident	84.2	Confident	4 Å²	4	41.5 Å²	41.5	4%	0.041	22%	0.22	C	C	.	.	S	Bend	trans	70.6	-2.6	175.3	0	0	0	0	0	116.4	Y469	G313-Y469 WeakPolarHBondContact O-CE1 3.29Å; G313-Y469 PolarHBondContact O-OH 3.37Å
314	G	88.4	Confident	86.1	Confident	21 Å²	21	38.2 Å²	38.2	22%	0.216	20%	0.2	C	C	.	.			trans	-84	138.5	179.8	0	0	0	0	0	114.5	K312 R316 E319	K312-G314 PolarHBondContact O-N 2.87Å; K312-G314 VanDerWaalsContact O-N 3.09Å; G314-R316 VanDerWaalsContact C-N 3.31Å; G314-R316 PolarHBondContact O-N 2.62Å; G314-E319 WeakPolarHBondContact CA-O 3.05Å
315	A	84.8	Confident	88	Confident	12 Å²	12	29.8 Å²	29.8	10%	0.099	16%	0.164	C	C	.	.	S	Bend	trans	-66.9	-29.3	177.8	0	0	0	0	0	113.8	R463 Y469	A315-R463 WeakPolarHBondContact O-CD 3.47Å; A315-R463 WeakPolarHBondContact O-CG 3.45Å; A315-Y469 VanDerWaalsContact CA-CE1 3.42Å; A315-Y469 HydrophobicContact CB-CD1 3.91Å; A315-Y469 HydrophobicContact CB-CD2 3.96Å; A315-Y469 HydrophobicContact CB-CE1 3.67Å; A315-Y469 HydrophobicContact CB-CE2 3.69Å; A315-Y469 HydrophobicContact CB-CG 4.04Å; A315-Y469 VanDerWaalsContact N-CE1 3.34Å; A315-Y469 VanDerWaalsContact N-CZ 3.33Å; A315-Y469 PolarHBondContact N-OH 3.23Å; A315-Y469 VanDerWaalsContact N-OH 3.09Å
316	R	85	Confident	89.4	Confident	106 Å²	106	30.2 Å²	30.2	40%	0.4	16%	0.161	S	C	.	.	S	Bend	trans	-120.7	153.6	-173.3	-62.7	-179.4	-176.8	-178.8	2.2	110.4	G314 G318 E319 R463 G466	G314-R316 VanDerWaalsContact C-N 3.31Å; G314-R316 PolarHBondContact O-N 2.62Å; R316-G318 PolarHBondContact O-N 3.27Å; R316-E319 HydrophobicContact CB-CG 4.15Å; R316-E319 PolarHBondContact O-N 3.11Å; R316-E319 VanDerWaalsContact O-N 3.12Å; R316-R463 HydrophobicContact CG-CG 4.44Å; R316-G466 VanDerWaalsContact NH2-C 3.31Å; R316-G466 PolarHBondContact NH2-O 3.01Å
317	L	87.2	Confident	90.5	Very high	49 Å²	49	35.3 Å²	35.3	26%	0.257	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	136	172.1	-69.6	-176.9	0	0	0	110.5	E319 M500	L317-E319 VanDerWaalsContact C-N 3.3Å; L317-M500 HydrophobicContact CD1-CG 3.26Å; L317-M500 HydrophobicContact CD1-SD 3.66Å; L317-M500 HydrophobicContact CG-CG 4.4Å
318	G	89.9	Confident	91.3	Very high	4 Å²	4	35.1 Å²	35.1	4%	0.041	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.9	7.9	-176.2	0	0	0	0	0	113.9	R316 R407 C408	R316-G318 PolarHBondContact O-N 3.27Å; G318-R407 CarbonylContact O-C 3.5Å; G318-C408 VanDerWaalsContact O-CB 3.27Å; G318-C408 WeakPolarHBondContact O-CB 3.36Å; G318-C408 PolarHBondContact O-N 3.42Å; G318-C408 PolarHBondContact O-SG 2.78Å
319	E	91.2	Very high	91.3	Very high	31 Å²	31	35.8 Å²	35.8	15%	0.145	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	144.2	172.9	-53.2	-170.7	-166.1	0	0	110.2	G314 R316 L317 M364 V406 R407	G314-E319 WeakPolarHBondContact CA-O 3.05Å; R316-E319 HydrophobicContact CB-CG 4.15Å; R316-E319 PolarHBondContact O-N 3.11Å; R316-E319 VanDerWaalsContact O-N 3.12Å; L317-E319 VanDerWaalsContact C-N 3.3Å; E319-M364 HydrophobicContact CB-CE 4.14Å; E319-V406 WeakPolarHBondContact CA-O 3.42Å; E319-R407 HydrophobicContact CB-CG 4.1Å; E319-R407 HydrophobicContact CG-CB 3.95Å; E319-R407 HydrophobicContact CG-CG 3.72Å; E319-R407 WeakPolarHBondContact OE2-CD 3.24Å; E319-R407 IonicContact OE2-CZ 2.85Å; E319-R407 IonicContact OE2-NE 2.69Å; E319-R407 PolarHBondContact OE2-NE 3.28Å
320	G	93.9	Very high	91.3	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	152.5	173.5	173.5	0	0	0	0	0	114.4	K312 A405 V406	K312-G320 CarbonylContact O-C 3.58Å; K312-G320 WeakPolarHBondContact O-CA 3.18Å; G320-A405 VanDerWaalsContact O-CA 3.32Å; G320-A405 WeakPolarHBondContact O-CA 3.33Å; G320-A405 WeakPolarHBondContact O-CB 3.13Å; G320-V406 PolarHBondContact N-O 3.23Å; G320-V406 PolarHBondContact O-N 3.44Å
321	R	95.4	Very high	91.3	Very high	6 Å²	6	35 Å²	35	2%	0.023	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	136.3	168.2	178.8	-179.8	59.6	-105.8	6.1	109.7	L311 K312 E323 M364 G365 Q366 D403	L311-R321 VanDerWaalsContact CA-O 3.29Å; L311-R321 WeakPolarHBondContact CA-O 3.33Å; K312-R321 PolarHBondContact N-O 2.79Å; K312-R321 PolarHBondContact O-N 2.88Å; R321-E323 IonicContact CZ-OE1 3.32Å; R321-E323 IonicContact NE-OE1 3.56Å; R321-E323 PolarHBondContact NE-OE1 3.23Å; R321-E323 IonicContact NH2-OE1 3.19Å; R321-E323 PolarHBondContact NH2-OE1 3.35Å; R321-M364 HydrophobicContact CB-CB 4.45Å; R321-G365 WeakPolarHBondContact CD-O 3.26Å; R321-G365 PolarHBondContact NH1-O 3.43Å; R321-Q366 VanDerWaalsContact CZ-O 3.27Å; R321-Q366 VanDerWaalsContact NH1-C 3.28Å; R321-Q366 PolarHBondContact NH1-O 3.04Å; R321-D403 HydrophobicContact CG-CB 4.14Å
322	V	96.9	Very high	91.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	120.2	179.6	-176.6	0	0	0	0	109.5	V309 L311 V324 V333 W338 V346 A404 V406	V309-V322 HydrophobicContact CG1-CG1 4.16Å; L311-V322 HydrophobicContact CD2-CG2 4Å; V322-V324 HydrophobicContact CG1-CG1 4.29Å; V322-V333 HydrophobicContact CG1-CG2 4.12Å; V322-W338 HydrophobicContact CG2-CZ2 4.14Å; V322-V346 HydrophobicContact CG1-CG1 4.26Å; V322-V346 HydrophobicContact CG1-CG2 4.13Å; V322-V346 HydrophobicContact CG2-CG1 4.27Å; V322-A404 PolarHBondContact N-O 2.95Å; V322-V406 HydrophobicContact CG2-CB 4.46Å; V322-V406 HydrophobicContact CG2-CG1 3.7Å; V322-V406 HydrophobicContact CG2-CG2 4.1Å
323	E	96.3	Very high	91.5	Very high	13 Å²	13	32.2 Å²	32.2	6%	0.061	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	138.9	171.8	-72	175.7	-170	0	0	109.9	V309 R310 K312 R321 W330 G331 T332	V309-E323 CarbonylContact C-O 3.59Å; V309-E323 WeakPolarHBondContact CA-O 3.34Å; R310-E323 HydrophobicContact CG-CB 3.83Å; R310-E323 IonicContact CZ-OE2 4Å; R310-E323 PolarHBondContact N-O 2.94Å; R310-E323 IonicContact NE-OE2 2.78Å; R310-E323 PolarHBondContact NE-OE2 3.45Å; R310-E323 IonicContact NH2-OE2 2.79Å; R310-E323 PolarHBondContact NH2-OE2 3.2Å; R310-E323 PolarHBondContact O-N 3.29Å; K312-E323 WeakPolarHBondContact CG-OE2 3.01Å; R321-E323 IonicContact CZ-OE1 3.32Å; R321-E323 IonicContact NE-OE1 3.56Å; R321-E323 PolarHBondContact NE-OE1 3.23Å; R321-E323 IonicContact NH2-OE1 3.19Å; R321-E323 PolarHBondContact NH2-OE1 3.35Å; E323-W330 HydrophobicContact CB-CE3 4.08Å; E323-W330 WeakPolarHBondContact O-CZ3 3.49Å; E323-G331 CarbonylContact C-O 3.56Å; E323-G331 VanDerWaalsContact CA-O 3.24Å; E323-G331 WeakPolarHBondContact CA-O 3.12Å; E323-T332 HydrophobicContact CG-CG2 4.12Å
324	V	95.5	Very high	91.7	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	142.3	-176.8	-59	0	0	0	0	110	N308 V309 V322 G331 V333 Y372 M373 I385 W386	N308-V324 WeakPolarHBondContact O-CA 3.4Å; V309-V324 HydrophobicContact CG1-CG1 4.5Å; V309-V324 HydrophobicContact CG2-CG1 4.2Å; V322-V324 HydrophobicContact CG1-CG1 4.29Å; V324-G331 PolarHBondContact N-O 3.31Å; V324-G331 PolarHBondContact O-N 3.19Å; V324-V333 HydrophobicContact CG1-CG2 3.75Å; V324-V333 HydrophobicContact CG2-CG2 4.12Å; V324-Y372 HydrophobicContact CG2-CD2 3.98Å; V324-Y372 HydrophobicContact CG2-CG 4.46Å; V324-M373 HydrophobicContact CB-CE 4.41Å; V324-M373 HydrophobicContact CG1-CE 4.3Å; V324-M373 HydrophobicContact CG1-SD 4.46Å; V324-M373 HydrophobicContact CG2-CE 4.12Å; V324-M373 HydrophobicContact CG2-SD 4.46Å; V324-I385 HydrophobicContact CG1-CG2 3.94Å; V324-W386 HydrophobicContact CB-CH2 4.46Å; V324-W386 HydrophobicContact CB-CZ2 3.57Å; V324-W386 HydrophobicContact CG2-CH2 3.94Å; V324-W386 HydrophobicContact CG2-CZ2 3.53Å
325	L	93.6	Very high	91.7	Very high	24 Å²	24	31.6 Å²	31.6	13%	0.126	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	121.9	-178.1	-173.4	69	0	0	0	110.2	N308 W330 W386	N308-L325 HydrophobicContact CB-CB 4.43Å; N308-L325 PolarHBondContact O-N 3.37Å; L325-W330 HydrophobicContact CB-CD2 4.17Å; L325-W330 HydrophobicContact CB-CE3 3.97Å; L325-W330 HydrophobicContact CB-CH2 3.96Å; L325-W330 HydrophobicContact CB-CZ2 4.16Å; L325-W330 HydrophobicContact CB-CZ3 3.86Å; L325-W330 HydrophobicContact CD1-CD2 3.89Å; L325-W330 HydrophobicContact CD1-CG 4.02Å; L325-W330 HydrophobicContact CD1-CZ2 4.29Å; L325-W330 HydrophobicContact CD2-CZ2 4.44Å; L325-W386 VanDerWaalsContact O-CZ2 3.26Å; L325-W386 WeakPolarHBondContact O-CZ2 3.41Å
326	K	90.8	Very high	91.6	Very high	79 Å²	79	33 Å²	33	34%	0.343	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	131.5	173.3	-167.7	-176.2	174.7	-176.5	0	109.2	N328 E329 Y372 W386	K326-N328 PolarHBondContact O-N 2.95Å; K326-E329 PolarHBondContact N-O 3.03Å; K326-E329 PolarHBondContact O-N 3.34Å; K326-Y372 HydrophobicContact CB-CD1 4.13Å; K326-Y372 HydrophobicContact CB-CD2 3.89Å; K326-Y372 HydrophobicContact CB-CE1 3.98Å; K326-Y372 HydrophobicContact CB-CE2 3.71Å; K326-Y372 HydrophobicContact CB-CG 4.09Å; K326-Y372 HydrophobicContact CD-CD1 3.61Å; K326-Y372 HydrophobicContact CD-CE1 3.83Å; K326-Y372 HydrophobicContact CD-CG 4.1Å; K326-Y372 HydrophobicContact CG-CE1 4.44Å; K326-W386 HydrophobicContact CB-CH2 3.8Å; K326-W386 HydrophobicContact CB-CZ2 4.14Å; K326-W386 HydrophobicContact CD-CH2 4.11Å; K326-W386 HydrophobicContact CD-CZ3 4.49Å; K326-W386 HydrophobicContact CG-CH2 4.05Å
327	D	87.4	Confident	91.3	Very high	140 Å²	140	32 Å²	32	75%	0.749	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.6	28.8	177.5	-57.9	-42.5	0	0	0	115.2
328	N	87.9	Confident	91.3	Very high	76 Å²	76	30.1 Å²	30.1	41%	0.406	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	74	11.7	-174.5	-51.4	-72	0	0	0	116.4	K326 F735 S736 A739	K326-N328 PolarHBondContact O-N 2.95Å; N328-F735 CarbonylContact O-C 3.6Å; N328-F735 VanDerWaalsContact O-CA 3.24Å; N328-F735 WeakPolarHBondContact O-CA 3.44Å; N328-S736 WeakPolarHBondContact CB-OG 3.49Å; N328-S736 PolarHBondContact O-N 3.38Å; N328-S736 PolarHBondContact OD1-OG 2.84Å; N328-A739 HydrophobicContact CB-CB 3.78Å
329	E	90.3	Very high	91	Very high	77 Å²	77	31.6 Å²	31.6	36%	0.36	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	135.7	173.8	-178.4	175.6	-168.2	0	0	110.2	K326 P370 Y372 A734 F735	K326-E329 PolarHBondContact N-O 3.03Å; K326-E329 PolarHBondContact O-N 3.34Å; E329-P370 HydrophobicContact CG-CG 4.2Å; E329-Y372 WeakPolarHBondContact CB-OH 3.41Å; E329-Y372 WeakPolarHBondContact O-CE2 3.49Å; E329-Y372 PolarHBondContact O-OH 2.85Å; E329-A734 WeakPolarHBondContact CA-O 3.3Å; E329-F735 HydrophobicContact CB-CD1 3.99Å; E329-F735 HydrophobicContact CB-CE1 4.03Å; E329-F735 HydrophobicContact CG-CD1 4.18Å; E329-F735 HydrophobicContact CG-CE1 3.99Å
330	W	94.3	Very high	90.5	Very high	31 Å²	31	30.9 Å²	30.9	12%	0.117	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	140	175.9	-71.8	101.8	0	0	0	110.1	S307 R310 E323 L325 D733 A734	S307-W330 WeakPolarHBondContact O-CH2 3.5Å; R310-W330 HydrophobicContact CB-CH2 3.93Å; R310-W330 HydrophobicContact CB-CZ3 3.99Å; R310-W330 HydrophobicContact CG-CD2 4.29Å; R310-W330 HydrophobicContact CG-CE3 3.79Å; R310-W330 HydrophobicContact CG-CH2 3.86Å; R310-W330 HydrophobicContact CG-CZ2 4.35Å; R310-W330 HydrophobicContact CG-CZ3 3.56Å; R310-W330 VanDerWaalsContact CZ-CG 3.46Å; R310-W330 VanDerWaalsContact NH1-CD1 3.31Å; E323-W330 HydrophobicContact CB-CE3 4.08Å; E323-W330 WeakPolarHBondContact O-CZ3 3.49Å; L325-W330 HydrophobicContact CB-CD2 4.17Å; L325-W330 HydrophobicContact CB-CE3 3.97Å; L325-W330 HydrophobicContact CB-CH2 3.96Å; L325-W330 HydrophobicContact CB-CZ2 4.16Å; L325-W330 HydrophobicContact CB-CZ3 3.86Å; L325-W330 HydrophobicContact CD1-CD2 3.89Å; L325-W330 HydrophobicContact CD1-CG 4.02Å; L325-W330 HydrophobicContact CD1-CZ2 4.29Å; L325-W330 HydrophobicContact CD2-CZ2 4.44Å; W330-D733 VanDerWaalsContact CD1-O 3.31Å; W330-A734 PolarHBondContact N-O 3.34Å
331	G	93.9	Very high	90.2	Very high	2 Å²	2	33.8 Å²	33.8	2%	0.021	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	169.8	176	0	0	0	0	0	111	E323 V324 P370	E323-G331 CarbonylContact C-O 3.56Å; E323-G331 VanDerWaalsContact CA-O 3.24Å; E323-G331 WeakPolarHBondContact CA-O 3.12Å; V324-G331 PolarHBondContact N-O 3.31Å; V324-G331 PolarHBondContact O-N 3.19Å; G331-P370 CarbonylContact C-O 3Å; G331-P370 WeakPolarHBondContact CA-O 3.42Å
332	T	94.9	Very high	90.1	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.006	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	174.8	-172.7	63.4	0	0	0	0	112.7	E323 P370 I371 Y372 D403	E323-T332 HydrophobicContact CG-CG2 4.12Å; T332-P370 PolarHBondContact N-O 3.39Å; T332-I371 WeakPolarHBondContact OG1-CG1 3.48Å; T332-Y372 PolarHBondContact O-N 3.31Å; T332-D403 WeakPolarHBondContact CB-OD1 3.25Å; T332-D403 PolarHBondContact OG1-OD1 2.82Å
333	V	95.4	Very high	90	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	128.4	176.4	176	0	0	0	0	108	V322 V324 W338 M373 V376 I385 A404	V322-V333 HydrophobicContact CG1-CG2 4.12Å; V324-V333 HydrophobicContact CG1-CG2 3.75Å; V324-V333 HydrophobicContact CG2-CG2 4.12Å; V333-W338 HydrophobicContact CG1-CE3 4.43Å; V333-W338 HydrophobicContact CG1-CZ3 4.22Å; V333-M373 HydrophobicContact CB-CB 4.47Å; V333-M373 HydrophobicContact CG1-CB 4.03Å; V333-M373 HydrophobicContact CG2-CB 4.2Å; V333-M373 HydrophobicContact CG2-CG 4.42Å; V333-M373 HydrophobicContact CG2-SD 4.03Å; V333-V376 HydrophobicContact CG1-CG2 3.83Å; V333-I385 HydrophobicContact CG2-CD1 4.37Å; V333-A404 HydrophobicContact CB-CB 4.39Å; V333-A404 HydrophobicContact CG1-CB 4.28Å; V333-A404 VanDerWaalsContact O-CB 3.3Å; V333-A404 WeakPolarHBondContact O-CB 3.3Å; V333-A404 PolarHBondContact O-N 2.9Å
334	C	92.6	Very high	89.8	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-73.3	147.5	175.8	-177	0	0	0	0	111.6	I371 M373 N374 I393 C398 E402	C334-I371 HydrophobicContact CB-CG2 4.13Å; C334-M373 WeakPolarHBondContact CB-O 3.44Å; C334-M373 PolarHBondContact N-O 2.8Å; C334-N374 HydrophobicContact CB-CB 4.19Å; C334-N374 WeakPolarHBondContact CB-OD1 3.22Å; C334-N374 PolarHBondContact SG-OD1 3.19Å; C334-N374 VanDerWaalsContact SG-OD1 3.37Å; C334-I393 HydrophobicContact CB-CD1 4.33Å; C334-C398 HydrophobicContact CB-CB 3.7Å; C334-C398 WeakPolarHBondContact CB-SG 3.37Å; C334-C398 WeakPolarHBondContact SG-CB 3.11Å; C334-C398 CovalentContact SG-SG 2.03Å; C334-C398 PolarHBondContact SG-SG 3.22Å; C334-E402 CarbonylContact C-O 3.45Å; C334-E402 WeakPolarHBondContact CA-O 3.13Å
335	D	87.9	Confident	89.8	Confident	13 Å²	13	33 Å²	33	7%	0.07	16%	0.163	C	C	.	.			trans	-86.1	-2.3	-172.7	76.2	38.9	0	0	0	115.5	R337 W338 T360 G361 E402 A404	D335-R337 PolarHBondContact O-N 3.13Å; D335-W338 HydrophobicContact CB-CB 4.21Å; D335-W338 WeakPolarHBondContact O-CB 3.42Å; D335-W338 PolarHBondContact O-N 3.23Å; D335-T360 HydrophobicContact CB-CG2 3.85Å; D335-T360 WeakPolarHBondContact OD2-CA 3.4Å; D335-T360 WeakPolarHBondContact OD2-CB 3.49Å; D335-G361 PolarHBondContact OD2-N 2.87Å; D335-E402 VanDerWaalsContact CB-O 3.23Å; D335-E402 WeakPolarHBondContact CB-O 3.27Å; D335-E402 VanDerWaalsContact CG-O 3.25Å; D335-E402 PolarHBondContact N-O 3.3Å; D335-E402 WeakPolarHBondContact OD2-CA 3.43Å; D335-A404 HydrophobicContact CB-CB 4.02Å
336	D	83.1	Confident	89.9	Confident	40 Å²	40	31.8 Å²	31.8	21%	0.214	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	129.1	175	-64.7	-39.3	0	0	0	109.5	W338 N374 E375	D336-W338 PolarHBondContact O-N 3.18Å; D336-N374 VanDerWaalsContact CB-OD1 3.24Å; D336-N374 WeakPolarHBondContact CB-OD1 3.3Å; D336-N374 PolarHBondContact OD2-ND2 2.94Å; D336-N374 PolarHBondContact OD2-OD1 2.91Å; D336-E375 HydrophobicContact CB-CG 3.88Å; D336-E375 WeakPolarHBondContact O-CA 3.46Å; D336-E375 PolarHBondContact O-N 2.79Å
337	R	79.5	Confident	90.1	Very high	86 Å²	86	28 Å²	28	33%	0.325	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	21.3	-174.7	-57.4	-164.5	-99.7	-112.8	16.8	114.6	Y54 D335 S339 E375	Y54-R337 HydrophobicContact CE2-CG 4.23Å; Y54-R337 VanDerWaalsContact OH-CD 3.24Å; Y54-R337 WeakPolarHBondContact OH-CD 3.41Å; Y54-R337 WeakPolarHBondContact OH-CG 3.01Å; Y54-R337 PolarHBondContact OH-NH1 2.75Å; Y54-R337 VanDerWaalsContact OH-NH1 3.12Å; D335-R337 PolarHBondContact O-N 3.13Å; R337-S339 PolarHBondContact O-N 3.03Å; R337-E375 HydrophobicContact CG-CG 4.49Å; R337-E375 IonicContact CZ-OE1 3.78Å; R337-E375 IonicContact CZ-OE2 3.48Å; R337-E375 IonicContact NE-OE1 3.59Å; R337-E375 PolarHBondContact NE-OE1 3.22Å; R337-E375 IonicContact NE-OE2 2.68Å; R337-E375 IonicContact NH1-OE1 2.78Å; R337-E375 PolarHBondContact NH1-OE1 2.87Å; R337-E375 IonicContact NH2-OE1 2.81Å; R337-E375 PolarHBondContact NH2-OE1 2.91Å; R337-E375 IonicContact NH2-OE2 3.51Å; R337-E375 PolarHBondContact NH2-OE2 2.82Å
338	W	86.8	Confident	90.4	Very high	9 Å²	9	22.1 Å²	22.1	3%	0.034	11%	0.108	C	C	.	.			trans	-62.7	128.5	172.7	-171.4	-125.1	0	0	0	110.2	I163 V322 V333 D335 D336 S342 A343 V346 T360 V376 I385 A404 A405 V406	I163-W338 VanDerWaalsContact CD1-O 3.26Å; I163-W338 WeakPolarHBondContact CD1-O 3.45Å; V322-W338 HydrophobicContact CG2-CZ2 4.14Å; V333-W338 HydrophobicContact CG1-CE3 4.43Å; V333-W338 HydrophobicContact CG1-CZ3 4.22Å; D335-W338 HydrophobicContact CB-CB 4.21Å; D335-W338 WeakPolarHBondContact O-CB 3.42Å; D335-W338 PolarHBondContact O-N 3.23Å; D336-W338 PolarHBondContact O-N 3.18Å; W338-S342 VanDerWaalsContact CZ3-CB 3.47Å; W338-A343 HydrophobicContact CZ2-CB 3.89Å; W338-V346 HydrophobicContact CH2-CG2 3.97Å; W338-T360 HydrophobicContact CB-CG2 4.37Å; W338-V376 HydrophobicContact CE3-CB 4.26Å; W338-V376 HydrophobicContact CZ3-CB 4.08Å; W338-V376 HydrophobicContact CZ3-CG1 4.24Å; W338-V376 HydrophobicContact CZ3-CG2 4.42Å; W338-I385 HydrophobicContact CH2-CD1 3.94Å; W338-I385 HydrophobicContact CZ3-CD1 3.99Å; W338-A404 HydrophobicContact CD2-CB 3.86Å; W338-A404 HydrophobicContact CE3-CB 4.37Å; W338-A404 HydrophobicContact CG-CB 3.9Å; W338-A405 PolarHBondContact NE1-O 2.03Å; W338-V406 HydrophobicContact CZ2-CG1 3.56Å
339	S	83.3	Confident	90.7	Very high	35 Å²	35	19.5 Å²	19.5	25%	0.245	9%	0.093	C	C	.	.			trans	-129.5	158	-170.3	77.9	0	0	0	0	111.7	R337 L341 S342 A343	R337-S339 PolarHBondContact O-N 3.03Å; S339-L341 PolarHBondContact O-N 2.86Å; S339-L341 PolarHBondContact OG-N 3.04Å; S339-S342 PolarHBondContact O-N 3.27Å; S339-S342 VanDerWaalsContact O-N 3.14Å; S339-S342 PolarHBondContact OG-N 3.41Å; S339-S342 VanDerWaalsContact OG-N 3.13Å; S339-S342 PolarHBondContact OG-OG 3.22Å; S339-S342 VanDerWaalsContact OG-OG 3.05Å; S339-A343 WeakPolarHBondContact O-CB 3.37Å; S339-A343 PolarHBondContact O-N 3.1Å
340	L	81.4	Confident	90.8	Very high	17 Å²	17	16.9 Å²	16.9	9%	0.089	8%	0.082	C	C	.	.	H	α-helix	trans	-58.9	-29.4	172.9	-85.5	177.3	0	0	0	113.4	I163 A165 V259 S344 A355 A358	I163-L340 HydrophobicContact CG2-CG 4.45Å; I163-L340 WeakPolarHBondContact O-CD1 3.41Å; I163-L340 WeakPolarHBondContact O-CG 3.36Å; A165-L340 HydrophobicContact CB-CD1 3.55Å; A165-L340 VanDerWaalsContact N-CD1 3.34Å; V259-L340 HydrophobicContact CG1-CB 4.26Å; V259-L340 HydrophobicContact CG2-CB 4.41Å; V259-L340 HydrophobicContact CG2-CD1 4.22Å; L340-S344 VanDerWaalsContact O-CB 3.24Å; L340-S344 WeakPolarHBondContact O-CB 3.46Å; L340-S344 PolarHBondContact O-N 3.42Å; L340-S344 PolarHBondContact O-OG 3.16Å; L340-A355 HydrophobicContact CD2-CB 4.13Å; L340-A358 HydrophobicContact CD2-CB 4.01Å; L340-A358 HydrophobicContact CG-CB 4.19Å
341	L	86.6	Confident	90.7	Very high	61 Å²	61	15.9 Å²	15.9	32%	0.319	8%	0.081	S	C	.	.	H	α-helix	trans	-68.5	-47.9	174.8	-67.2	173.6	0	0	0	110.6	S257 V259 S339 S344 V345	S257-L341 WeakPolarHBondContact O-CD2 3.34Å; V259-L341 HydrophobicContact CG1-CD2 4.12Å; S339-L341 PolarHBondContact O-N 2.86Å; S339-L341 PolarHBondContact OG-N 3.04Å; L341-S344 WeakPolarHBondContact O-CB 3.36Å; L341-S344 PolarHBondContact O-N 3.26Å; L341-S344 VanDerWaalsContact O-N 3.15Å; L341-V345 PolarHBondContact O-N 3.27Å
342	S	93.6	Very high	90.7	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-61.5	-45.1	176.5	-51.7	0	0	0	0	111.6	W338 S339 S344 V345 V346 V376 C378	W338-S342 VanDerWaalsContact CZ3-CB 3.47Å; S339-S342 PolarHBondContact O-N 3.27Å; S339-S342 VanDerWaalsContact O-N 3.14Å; S339-S342 PolarHBondContact OG-N 3.41Å; S339-S342 VanDerWaalsContact OG-N 3.13Å; S339-S342 PolarHBondContact OG-OG 3.22Å; S339-S342 VanDerWaalsContact OG-OG 3.05Å; S342-S344 VanDerWaalsContact C-N 3.3Å; S342-S344 PolarHBondContact O-N 3.42Å; S342-V345 WeakPolarHBondContact O-CB 3.5Å; S342-V345 PolarHBondContact O-N 2.84Å; S342-V346 PolarHBondContact O-N 3.31Å; S342-V376 PolarHBondContact OG-O 2.93Å; S342-C378 VanDerWaalsContact CA-SG 3.57Å; S342-C378 PolarHBondContact OG-N 3.05Å
343	A	93.9	Very high	90.6	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-59.3	-39.3	172.9	0	0	0	0	0	112.6	W338 S339 V345 V346 C347 A355 A358 V406	W338-A343 HydrophobicContact CZ2-CB 3.89Å; S339-A343 WeakPolarHBondContact O-CB 3.37Å; S339-A343 PolarHBondContact O-N 3.1Å; A343-V345 VanDerWaalsContact C-N 3.32Å; A343-V345 PolarHBondContact O-N 2.04Å; A343-V346 WeakPolarHBondContact O-CB 3.32Å; A343-V346 PolarHBondContact O-N 2.89Å; A343-C347 PolarHBondContact O-N 3.09Å; A343-C347 PolarHBondContact O-SG 3.04Å; A343-C347 VanDerWaalsContact O-SG 3.35Å; A343-A355 HydrophobicContact CB-CB 3.53Å; A343-A358 HydrophobicContact CB-CB 3.85Å; A343-V406 HydrophobicContact CB-CB 4.32Å; A343-V406 HydrophobicContact CB-CG1 3.46Å; A343-V406 VanDerWaalsContact CB-CG1 3.46Å
344	S	92.6	Very high	90.4	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-68.9	-29.5	178.8	-67.8	0	0	0	0	113.3	V259 L340 L341 S342 R348 A355	V259-S344 WeakPolarHBondContact CG1-OG 3.43Å; L340-S344 VanDerWaalsContact O-CB 3.24Å; L340-S344 WeakPolarHBondContact O-CB 3.46Å; L340-S344 PolarHBondContact O-N 3.42Å; L340-S344 PolarHBondContact O-OG 3.16Å; L341-S344 WeakPolarHBondContact O-CB 3.36Å; L341-S344 PolarHBondContact O-N 3.26Å; L341-S344 VanDerWaalsContact O-N 3.15Å; S342-S344 VanDerWaalsContact C-N 3.3Å; S342-S344 PolarHBondContact O-N 3.42Å; S344-R348 WeakPolarHBondContact O-CB 3.33Å; S344-R348 VanDerWaalsContact O-CG 3.3Å; S344-R348 WeakPolarHBondContact O-CG 3.32Å; S344-R348 PolarHBondContact O-N 3.25Å; S344-A355 WeakPolarHBondContact OG-CB 3.47Å; S344-A355 PolarHBondContact OG-N 3.27Å
345	V	95.3	Very high	90.3	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.006	8%	0.083	C	C	.	.	H	α-helix	trans	-64	-46.3	171	173.3	0	0	0	0	109.8	L341 S342 A343 C347 R348 E349 C378 E382	L341-V345 PolarHBondContact O-N 3.27Å; S342-V345 WeakPolarHBondContact O-CB 3.5Å; S342-V345 PolarHBondContact O-N 2.84Å; A343-V345 VanDerWaalsContact C-N 3.32Å; A343-V345 PolarHBondContact O-N 2.04Å; V345-C347 PolarHBondContact O-N 3.37Å; V345-R348 PolarHBondContact O-N 2.95Å; V345-E349 VanDerWaalsContact O-CB 3.29Å; V345-E349 WeakPolarHBondContact O-CB 3.46Å; V345-E349 PolarHBondContact O-N 2.92Å; V345-C378 HydrophobicContact CG2-CB 3.84Å; V345-E382 HydrophobicContact CG1-CB 4.07Å; V345-E382 HydrophobicContact CG2-CB 4.24Å
346	V	96.3	Very high	90.1	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-58.6	-49	175.3	173.5	0	0	0	0	111.5	V309 L311 V322 W338 S342 A343 R348 E349 L350 I385 V406	V309-V346 HydrophobicContact CG1-CG1 3.94Å; L311-V346 HydrophobicContact CD2-CG1 4.17Å; V322-V346 HydrophobicContact CG1-CG1 4.26Å; V322-V346 HydrophobicContact CG1-CG2 4.13Å; V322-V346 HydrophobicContact CG2-CG1 4.27Å; W338-V346 HydrophobicContact CH2-CG2 3.97Å; S342-V346 PolarHBondContact O-N 3.31Å; A343-V346 WeakPolarHBondContact O-CB 3.32Å; A343-V346 PolarHBondContact O-N 2.89Å; V346-R348 PolarHBondContact O-N 2.9Å; V346-E349 PolarHBondContact O-N 2.91Å; V346-L350 HydrophobicContact CG1-CD1 3.83Å; V346-L350 WeakPolarHBondContact O-CG 3.41Å; V346-L350 PolarHBondContact O-N 3.39Å; V346-I385 HydrophobicContact CG2-CB 4.14Å; V346-I385 HydrophobicContact CG2-CD1 3.71Å; V346-I385 HydrophobicContact CG2-CG1 4.29Å; V346-V406 HydrophobicContact CG1-CG2 4.27Å
347	C	95.4	Very high	90.1	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-58.6	-45.2	179.2	-69.1	0	0	0	0	112.5	A343 V345 L350 G351 F352 G353 C408	A343-C347 PolarHBondContact O-N 3.09Å; A343-C347 PolarHBondContact O-SG 3.04Å; A343-C347 VanDerWaalsContact O-SG 3.35Å; V345-C347 PolarHBondContact O-N 3.37Å; C347-L350 PolarHBondContact O-N 3.14Å; C347-G351 PolarHBondContact O-N 2.87Å; C347-F352 HydrophobicContact CB-CB 4.36Å; C347-F352 WeakPolarHBondContact O-CA 3.21Å; C347-F352 WeakPolarHBondContact O-CB 3.2Å; C347-F352 PolarHBondContact O-N 3.04Å; C347-G353 WeakPolarHBondContact CB-O 3.02Å; C347-C408 WeakPolarHBondContact CA-SG 3.44Å; C347-C408 HydrophobicContact CB-CB 3.69Å; C347-C408 WeakPolarHBondContact CB-SG 2.99Å; C347-C408 WeakPolarHBondContact SG-CA 3.13Å; C347-C408 WeakPolarHBondContact SG-CB 3.45Å; C347-C408 CovalentContact SG-SG 2.03Å; C347-C408 PolarHBondContact SG-SG 2.85Å
348	R	93.3	Very high	90.3	Very high	16 Å²	16	16 Å²	16	6%	0.06	8%	0.082	C	C	.	.	H	α-helix	trans	-68.5	-38.7	178.3	-72.3	174.9	-179.2	166	0.3	112.3	S344 V345 V346 L350 G351 G353 G380	S344-R348 WeakPolarHBondContact O-CB 3.33Å; S344-R348 VanDerWaalsContact O-CG 3.3Å; S344-R348 WeakPolarHBondContact O-CG 3.32Å; S344-R348 PolarHBondContact O-N 3.25Å; V345-R348 PolarHBondContact O-N 2.95Å; V346-R348 PolarHBondContact O-N 2.9Å; R348-L350 VanDerWaalsContact C-N 3.28Å; R348-L350 PolarHBondContact O-N 3.28Å; R348-G351 PolarHBondContact O-N 2.87Å; R348-G353 WeakPolarHBondContact CG-O 3.39Å; R348-G380 PolarHBondContact NH1-O 2.79Å
349	E	94.2	Very high	90	Very high	20 Å²	20	15.8 Å²	15.8	9%	0.093	8%	0.081	C	C	.	.	H	α-helix	trans	-59.4	-39.7	175.9	176.6	170.2	-167.4	0	0	111.6	S306 V309 V345 V346 G351 S384 I385	S306-E349 WeakPolarHBondContact CB-OE1 3.08Å; S306-E349 PolarHBondContact OG-OE1 3.08Å; V309-E349 WeakPolarHBondContact CG2-OE1 3.29Å; V309-E349 WeakPolarHBondContact CG2-OE2 3.44Å; V345-E349 VanDerWaalsContact O-CB 3.29Å; V345-E349 WeakPolarHBondContact O-CB 3.46Å; V345-E349 PolarHBondContact O-N 2.92Å; V346-E349 PolarHBondContact O-N 2.91Å; E349-G351 PolarHBondContact O-N 2.04Å; E349-S384 WeakPolarHBondContact OE1-CB 3.03Å; E349-S384 PolarHBondContact OE1-OG 2.77Å; E349-S384 WeakPolarHBondContact OE2-CA 3.12Å; E349-S384 WeakPolarHBondContact OE2-CB 3.24Å; E349-S384 PolarHBondContact OE2-OG 2.69Å; E349-S384 VanDerWaalsContact OE2-OG 3.06Å; E349-I385 PolarHBondContact OE2-N 2.5Å
350	L	93.1	Very high	89.9	Confident	22 Å²	22	15 Å²	15	12%	0.115	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-4.4	176	-66.3	169.6	0	0	0	113.7	V309 L311 V346 C347 R348 F352	V309-L350 HydrophobicContact CB-CD2 4.49Å; V309-L350 WeakPolarHBondContact O-CD2 3.47Å; L311-L350 HydrophobicContact CD1-CD1 3.69Å; L311-L350 HydrophobicContact CD2-CD1 4Å; L311-L350 HydrophobicContact CG-CD1 3.53Å; V346-L350 HydrophobicContact CG1-CD1 3.83Å; V346-L350 WeakPolarHBondContact O-CG 3.41Å; V346-L350 PolarHBondContact O-N 3.39Å; C347-L350 PolarHBondContact O-N 3.14Å; R348-L350 VanDerWaalsContact C-N 3.28Å; R348-L350 PolarHBondContact O-N 3.28Å; L350-F352 HydrophobicContact CB-CD2 3.61Å; L350-F352 HydrophobicContact CB-CE2 3.66Å; L350-F352 HydrophobicContact CD1-CD2 4.43Å; L350-F352 HydrophobicContact CD1-CE2 4.25Å
351	G	92.2	Very high	89.9	Confident	10 Å²	10	15.5 Å²	15.5	10%	0.103	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.4	16.7	179.2	0	0	0	0	0	114.8	P226 G290 C347 R348 E349	P226-G351 WeakPolarHBondContact CD-O 3.37Å; G290-G351 WeakPolarHBondContact CA-O 3.27Å; C347-G351 PolarHBondContact O-N 2.87Å; R348-G351 PolarHBondContact O-N 2.87Å; E349-G351 PolarHBondContact O-N 2.04Å
352	F	93.3	Very high	89.8	Confident	11 Å²	11	13.1 Å²	13.1	5%	0.048	7%	0.073	C	C	.	.			trans	-92.1	-174.3	168.5	-53.5	-66.2	0	0	0	111	P226 L292 F293 C347 L350 C408 I410	P226-F352 WeakPolarHBondContact CA-O 3.08Å; P226-F352 VanDerWaalsContact CB-O 3.25Å; P226-F352 WeakPolarHBondContact CB-O 3.3Å; P226-F352 WeakPolarHBondContact CD-O 3.41Å; L292-F352 HydrophobicContact CD1-CE1 4.02Å; L292-F352 HydrophobicContact CD1-CZ 3.99Å; F293-F352 AromaticContact CE2-CD1 3.84Å; F293-F352 HydrophobicContact CE2-CD1 3.84Å; F293-F352 AromaticContact CE2-CE1 3.92Å; F293-F352 HydrophobicContact CE2-CE1 3.92Å; F293-F352 HydrophobicContact CZ-CD1 4.29Å; F293-F352 HydrophobicContact CZ-CE1 4.14Å; C347-F352 HydrophobicContact CB-CB 4.36Å; C347-F352 WeakPolarHBondContact O-CA 3.21Å; C347-F352 WeakPolarHBondContact O-CB 3.2Å; C347-F352 PolarHBondContact O-N 3.04Å; L350-F352 HydrophobicContact CB-CD2 3.61Å; L350-F352 HydrophobicContact CB-CE2 3.66Å; L350-F352 HydrophobicContact CD1-CD2 4.43Å; L350-F352 HydrophobicContact CD1-CE2 4.25Å; F352-C408 HydrophobicContact CB-CB 3.73Å; F352-C408 HydrophobicContact CD2-CB 4.15Å; F352-C408 HydrophobicContact CG-CB 4.05Å; F352-I410 HydrophobicContact CD1-CG2 3.7Å; F352-I410 HydrophobicContact CE1-CG2 4.1Å; F352-I410 HydrophobicContact CG-CG2 4.46Å
353	G	92.7	Very high	89.2	Confident	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.082	C	C	.	.			trans	-78.8	-145.2	175.7	0	0	0	0	0	114.1	G221 G224 C347 R348 N409	G221-G353 CarbonylContact O-C 3.6Å; G221-G353 WeakPolarHBondContact O-CA 3.05Å; G224-G353 VanDerWaalsContact C-CA 3.44Å; G224-G353 VanDerWaalsContact C-N 3.3Å; G224-G353 PolarHBondContact O-N 3.42Å; C347-G353 WeakPolarHBondContact CB-O 3.02Å; R348-G353 WeakPolarHBondContact CG-O 3.39Å; G353-N409 PolarHBondContact N-O 2.82Å
354	S	91.2	Very high	88.9	Confident	1 Å²	1	15.6 Å²	15.6	1%	0.007	8%	0.083	C	C	.	.	S	Bend	trans	-74	161.7	167.6	52.6	0	0	0	0	111	G221 M222 V259 K356 N409	G221-S354 VanDerWaalsContact C-OG 3.25Å; G221-S354 PolarHBondContact O-N 2.77Å; G221-S354 PolarHBondContact O-OG 2.57Å; M222-S354 PolarHBondContact N-OG 3.46Å; V259-S354 PolarHBondContact O-OG 2.74Å; S354-K356 PolarHBondContact O-N 3.06Å; S354-N409 WeakPolarHBondContact O-CB 3.11Å; S354-N409 PolarHBondContact O-N 2.66Å; S354-N409 PolarHBondContact O-ND2 3.16Å; S354-N409 PolarHBondContact OG-ND2 3.06Å
355	A	90.6	Very high	88.6	Confident	3 Å²	3	15.6 Å²	15.6	3%	0.025	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	131.6	169.5	0	0	0	0	0	109.7	L340 A343 S344 R407	L340-A355 HydrophobicContact CD2-CB 4.13Å; A343-A355 HydrophobicContact CB-CB 3.53Å; S344-A355 WeakPolarHBondContact OG-CB 3.47Å; S344-A355 PolarHBondContact OG-N 3.27Å; A355-R407 CarbonylContact C-O 3.49Å; A355-R407 WeakPolarHBondContact CA-O 3.01Å
356	K	84.7	Confident	88.3	Confident	120 Å²	120	16.7 Å²	16.7	52%	0.522	9%	0.088	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	-43.8	164	-171.2	-172.6	172.8	-170.8	0	109.8	S354 R407	S354-K356 PolarHBondContact O-N 3.06Å; K356-R407 WeakPolarHBondContact CA-O 3.49Å; K356-R407 HydrophobicContact CB-CB 4.5Å; K356-R407 WeakPolarHBondContact CB-O 3.44Å; K356-R407 PolarHBondContact N-O 3.43Å
357	E	81.9	Confident	88	Confident	9 Å²	9	16.9 Å²	16.9	4%	0.042	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	139.7	-175.6	-52	179.5	-162.2	0	0	110.5	I162 L359 R407	I162-E357 HydrophobicContact CD1-CG 4.36Å; I162-E357 HydrophobicContact CG1-CG 4.39Å; I162-E357 HydrophobicContact CG2-CB 3.95Å; I162-E357 HydrophobicContact CG2-CG 3.59Å; E357-L359 HydrophobicContact CB-CD2 4.25Å; E357-L359 HydrophobicContact CB-CG 4.35Å; E357-R407 HydrophobicContact CB-CB 4.07Å; E357-R407 HydrophobicContact CB-CG 4.39Å; E357-R407 HydrophobicContact CG-CB 4.36Å; E357-R407 PolarHBondContact N-O 2.76Å; E357-R407 VanDerWaalsContact N-O 3.13Å; E357-R407 PolarHBondContact O-N 2.98Å; E357-R407 IonicContact OE1-NH1 3.86Å; E357-R407 WeakPolarHBondContact OE2-CD 3.46Å; E357-R407 IonicContact OE2-CZ 2.98Å; E357-R407 IonicContact OE2-NE 3.78Å; E357-R407 IonicContact OE2-NH1 3.79Å; E357-R407 PolarHBondContact OE2-NH1 2.88Å
358	A	83.6	Confident	87.6	Confident	1 Å²	1	19.9 Å²	19.9	1%	0.008	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	113.2	164.8	0	0	0	0	0	107	I163 L340 A343	I163-A358 HydrophobicContact CD1-CB 4.28Å; L340-A358 HydrophobicContact CD2-CB 4.01Å; L340-A358 HydrophobicContact CG-CB 4.19Å; A343-A358 HydrophobicContact CB-CB 3.85Å
359	L	81.4	Confident	87.4	Confident	5 Å²	5	21.4 Å²	21.4	3%	0.026	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	140	-173	-64	175	0	0	0	109.8	E357 R363 M364 A405 R407	E357-L359 HydrophobicContact CB-CD2 4.25Å; E357-L359 HydrophobicContact CB-CG 4.35Å; L359-R363 HydrophobicContact CB-CB 4.36Å; L359-M364 HydrophobicContact CD1-CE 3.53Å; L359-M364 HydrophobicContact CD1-CG 3.85Å; L359-M364 HydrophobicContact CD1-SD 4.45Å; L359-A405 HydrophobicContact CB-CB 3.74Å; L359-A405 HydrophobicContact CD1-CB 4.27Å; L359-A405 PolarHBondContact N-O 2.81Å; L359-A405 PolarHBondContact O-N 2.96Å; L359-R407 HydrophobicContact CD1-CG 3.93Å
360	T	81.4	Confident	87.3	Confident	19 Å²	19	22.1 Å²	22.1	12%	0.117	13%	0.132	C	C	.	.			trans	-124.6	168.1	179	68.6	0	0	0	0	109.1	H58 I163 D335 W338 R363	H58-T360 WeakPolarHBondContact CB-OG1 3.27Å; I163-T360 HydrophobicContact CD1-CG2 4.34Å; D335-T360 HydrophobicContact CB-CG2 3.85Å; D335-T360 WeakPolarHBondContact OD2-CA 3.4Å; D335-T360 WeakPolarHBondContact OD2-CB 3.49Å; W338-T360 HydrophobicContact CB-CG2 4.37Å; T360-R363 VanDerWaalsContact O-CD 3.27Å; T360-R363 WeakPolarHBondContact O-CD 3.49Å; T360-R363 WeakPolarHBondContact O-CG 3.31Å
361	G	80.3	Confident	87.2	Confident	26 Å²	26	22.2 Å²	22.2	27%	0.268	13%	0.132	S	C	.	.	S	Bend	trans	72.8	38.4	175.5	0	0	0	0	0	113	D335 R363 M401	D335-G361 PolarHBondContact OD2-N 2.87Å; G361-R363 PolarHBondContact O-N 3.35Å; G361-M401 CarbonylContact C-O 3.56Å; G361-M401 WeakPolarHBondContact CA-O 3.43Å
362	A	85.3	Confident	87.3	Confident	12 Å²	12	23.1 Å²	23.1	10%	0.099	13%	0.133	C	C	.	.	S	Bend	trans	48.6	33.9	-178.9	0	0	0	0	0	114.1	M364 G365 Q366 H400 M401 D403	A362-M364 PolarHBondContact O-N 2.98Å; A362-G365 CarbonylContact O-C 3.52Å; A362-G365 WeakPolarHBondContact O-CA 3.49Å; A362-G365 PolarHBondContact O-N 3.49Å; A362-Q366 HydrophobicContact CB-CB 4.46Å; A362-Q366 HydrophobicContact CB-CG 3.59Å; A362-H400 WeakPolarHBondContact CB-O 3.34Å; A362-M401 PolarHBondContact N-O 2.91Å; A362-M401 VanDerWaalsContact N-O 3.13Å; A362-D403 WeakPolarHBondContact CA-O 3.15Å; A362-D403 HydrophobicContact CB-CB 4.36Å; A362-D403 PolarHBondContact N-O 3.18Å
363	R	81.8	Confident	87.3	Confident	49 Å²	49	22.6 Å²	22.6	19%	0.185	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-3.3	-175.7	-84.4	178.9	-177.2	-132.3	-3.2	114.9	D159 L359 T360 G361 R591	D159-R363 IonicContact OD2-CZ 2.82Å; D159-R363 IonicContact OD2-NH2 3.95Å; D159-R363 PolarHBondContact OD2-NH2 2.74Å; L359-R363 HydrophobicContact CB-CB 4.36Å; T360-R363 VanDerWaalsContact O-CD 3.27Å; T360-R363 WeakPolarHBondContact O-CD 3.49Å; T360-R363 WeakPolarHBondContact O-CG 3.31Å; G361-R363 PolarHBondContact O-N 3.35Å; R363-R591 WeakPolarHBondContact O-CD 3.38Å; R363-R591 PolarHBondContact O-NE 3.26Å; R363-R591 PolarHBondContact O-NH1 3.01Å
364	M	86.3	Confident	87.1	Confident	2 Å²	2	22.7 Å²	22.7	1%	0.01	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.8	26.5	172.4	-68.8	-64.7	-168.8	0	0	111.8	E319 R321 L359 A362 A405 R407	E319-M364 HydrophobicContact CB-CE 4.14Å; R321-M364 HydrophobicContact CB-CB 4.45Å; L359-M364 HydrophobicContact CD1-CE 3.53Å; L359-M364 HydrophobicContact CD1-CG 3.85Å; L359-M364 HydrophobicContact CD1-SD 4.45Å; A362-M364 PolarHBondContact O-N 2.98Å; M364-A405 HydrophobicContact CB-CB 3.79Å; M364-A405 HydrophobicContact CG-CB 3.71Å; M364-R407 HydrophobicContact CE-CG 3.88Å
365	G	86.4	Confident	87	Confident	1 Å²	1	24.7 Å²	24.7	1%	0.01	14%	0.14	C	C	.	.			trans	90.8	153.1	-174.5	0	0	0	0	0	111.8	R321 A362 V589	R321-G365 WeakPolarHBondContact CD-O 3.26Å; R321-G365 PolarHBondContact NH1-O 3.43Å; A362-G365 CarbonylContact O-C 3.52Å; A362-G365 WeakPolarHBondContact O-CA 3.49Å; A362-G365 PolarHBondContact O-N 3.49Å; G365-V589 CarbonylContact C-O 3.51Å; G365-V589 WeakPolarHBondContact CA-O 3.15Å
366	Q	89.4	Confident	87	Confident	24 Å²	24	24.5 Å²	24.5	11%	0.112	14%	0.139	C	C	.	.			trans	-80.4	146.7	175.7	-63	176.5	-177.6	0	0	110.2	R321 A362 H400 V589	R321-Q366 VanDerWaalsContact CZ-O 3.27Å; R321-Q366 VanDerWaalsContact NH1-C 3.28Å; R321-Q366 PolarHBondContact NH1-O 3.04Å; A362-Q366 HydrophobicContact CB-CB 4.46Å; A362-Q366 HydrophobicContact CB-CG 3.59Å; Q366-H400 HydrophobicContact CB-CB 4.19Å; Q366-V589 HydrophobicContact CB-CB 3.97Å; Q366-V589 HydrophobicContact CB-CG1 4.37Å; Q366-V589 PolarHBondContact N-O 3.42Å; Q366-V589 WeakPolarHBondContact O-CB 3.4Å; Q366-V589 WeakPolarHBondContact O-CG2 3.41Å
367	G	90	Very high	87.3	Confident	4 Å²	4	23.9 Å²	23.9	4%	0.041	14%	0.136	C	C	.	.			trans	-83.9	-175.5	166.4	0	0	0	0	0	111.8	D403	G367-D403 WeakPolarHBondContact CA-OD2 3.31Å; G367-D403 PolarHBondContact N-OD2 3.26Å
368	M	87.3	Confident	87.8	Confident	63 Å²	63	24 Å²	24	31%	0.31	14%	0.137	S	C	.	.			trans	-142.3	147.9	168.6	-170.1	160.3	66.8	0	0	109.8	V534 L535 I731	M368-V534 HydrophobicContact CE-CB 4.23Å; M368-V534 HydrophobicContact CE-CG1 3.34Å; M368-L535 WeakPolarHBondContact CE-O 3.09Å; M368-I731 HydrophobicContact CE-CD1 3.19Å; M368-I731 HydrophobicContact CE-CG1 4.29Å
369	G	88.1	Confident	88.1	Confident	48 Å²	48	28.4 Å²	28.4	50%	0.495	16%	0.164	S	C	.	.	S	Bend	trans	99.9	-141.9	178	0	0	0	0	0	111.8	H400	G369-H400 PolarHBondContact N-NE2 2.85Å; G369-H400 PolarHBondContact O-CE1 3.27Å; G369-H400 PolarHBondContact O-NE2 3.03Å
370	P	91.5	Very high	88.4	Confident	35 Å²	35	28.2 Å²	28.2	23%	0.227	16%	0.163	C	C	.	.			trans	-77	143.8	-173.8	29.4	-32.9	0	0	0	112.7	E329 G331 T332 Y372	E329-P370 HydrophobicContact CG-CG 4.2Å; G331-P370 CarbonylContact C-O 3Å; G331-P370 WeakPolarHBondContact CA-O 3.42Å; T332-P370 PolarHBondContact N-O 3.39Å; P370-Y372 HydrophobicContact CB-CD1 4.35Å; P370-Y372 HydrophobicContact CB-CE1 3.79Å; P370-Y372 HydrophobicContact CB-CE2 4.45Å; P370-Y372 HydrophobicContact CG-CE1 4.02Å; P370-Y372 HydrophobicContact CG-CE2 3.97Å; P370-Y372 WeakPolarHBondContact CG-OH 3.23Å
371	I	92.6	Very high	88.7	Confident	23 Å²	23	31.4 Å²	31.4	12%	0.118	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	124.1	164.9	-49.1	-178.1	0	0	0	107	T332 C334 I393 C398	T332-I371 WeakPolarHBondContact OG1-CG1 3.48Å; C334-I371 HydrophobicContact CB-CG2 4.13Å; I371-I393 HydrophobicContact CB-CD1 3.85Å; I371-I393 HydrophobicContact CG2-CD1 3.47Å; I371-I393 VanDerWaalsContact CG2-CD1 3.47Å; I371-I393 WeakPolarHBondContact O-CG2 3.41Å; I371-C398 HydrophobicContact CD1-CB 4.21Å
372	Y	93.3	Very high	89.3	Confident	30 Å²	30	31.9 Å²	31.9	12%	0.118	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	-23.2	-170.5	-74.4	-47.6	0	0	0	115.5	V324 K326 E329 T332 P370	V324-Y372 HydrophobicContact CG2-CD2 3.98Å; V324-Y372 HydrophobicContact CG2-CG 4.46Å; K326-Y372 HydrophobicContact CB-CD1 4.13Å; K326-Y372 HydrophobicContact CB-CD2 3.89Å; K326-Y372 HydrophobicContact CB-CE1 3.98Å; K326-Y372 HydrophobicContact CB-CE2 3.71Å; K326-Y372 HydrophobicContact CB-CG 4.09Å; K326-Y372 HydrophobicContact CD-CD1 3.61Å; K326-Y372 HydrophobicContact CD-CE1 3.83Å; K326-Y372 HydrophobicContact CD-CG 4.1Å; K326-Y372 HydrophobicContact CG-CE1 4.44Å; E329-Y372 WeakPolarHBondContact CB-OH 3.41Å; E329-Y372 WeakPolarHBondContact O-CE2 3.49Å; E329-Y372 PolarHBondContact O-OH 2.85Å; T332-Y372 PolarHBondContact O-N 3.31Å; P370-Y372 HydrophobicContact CB-CD1 4.35Å; P370-Y372 HydrophobicContact CB-CE1 3.79Å; P370-Y372 HydrophobicContact CB-CE2 4.45Å; P370-Y372 HydrophobicContact CG-CE1 4.02Å; P370-Y372 HydrophobicContact CG-CE2 3.97Å; P370-Y372 WeakPolarHBondContact CG-OH 3.23Å
373	M	92.6	Very high	89.6	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	139.6	-174.2	-62.4	180	-179.6	0	0	110	V324 V333 C334 V376 I385 W386 F390	V324-M373 HydrophobicContact CB-CE 4.41Å; V324-M373 HydrophobicContact CG1-CE 4.3Å; V324-M373 HydrophobicContact CG1-SD 4.46Å; V324-M373 HydrophobicContact CG2-CE 4.12Å; V324-M373 HydrophobicContact CG2-SD 4.46Å; V333-M373 HydrophobicContact CB-CB 4.47Å; V333-M373 HydrophobicContact CG1-CB 4.03Å; V333-M373 HydrophobicContact CG2-CB 4.2Å; V333-M373 HydrophobicContact CG2-CG 4.42Å; V333-M373 HydrophobicContact CG2-SD 4.03Å; C334-M373 WeakPolarHBondContact CB-O 3.44Å; C334-M373 PolarHBondContact N-O 2.8Å; M373-V376 HydrophobicContact CB-CG2 3.86Å; M373-V376 HydrophobicContact SD-CG2 4.18Å; M373-I385 HydrophobicContact CE-CG2 4.22Å; M373-I385 HydrophobicContact SD-CD1 4Å; M373-I385 HydrophobicContact SD-CG1 4.1Å; M373-W386 HydrophobicContact CE-CD2 3.26Å; M373-W386 HydrophobicContact CE-CE3 3.14Å; M373-W386 HydrophobicContact CE-CG 3.97Å; M373-W386 HydrophobicContact CE-CH2 3.52Å; M373-W386 HydrophobicContact CE-CZ2 3.66Å; M373-W386 HydrophobicContact CE-CZ3 3.27Å; M373-F390 HydrophobicContact CB-CB 4.46Å; M373-F390 HydrophobicContact CB-CD2 4.3Å; M373-F390 HydrophobicContact CB-CG 4.42Å; M373-F390 HydrophobicContact CE-CE1 4.34Å; M373-F390 HydrophobicContact CG-CD1 4.46Å; M373-F390 HydrophobicContact CG-CD2 4.04Å; M373-F390 HydrophobicContact CG-CE2 4.31Å; M373-F390 HydrophobicContact CG-CG 4.14Å
374	N	90	Very high	90.2	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-127.5	155.7	164.1	-165.1	12	0	0	0	110.3	C334 D336 V376 K391 I393 C398	C334-N374 HydrophobicContact CB-CB 4.19Å; C334-N374 WeakPolarHBondContact CB-OD1 3.22Å; C334-N374 PolarHBondContact SG-OD1 3.19Å; C334-N374 VanDerWaalsContact SG-OD1 3.37Å; D336-N374 VanDerWaalsContact CB-OD1 3.24Å; D336-N374 WeakPolarHBondContact CB-OD1 3.3Å; D336-N374 PolarHBondContact OD2-ND2 2.94Å; D336-N374 PolarHBondContact OD2-OD1 2.91Å; N374-V376 PolarHBondContact O-N 3.39Å; N374-K391 PolarHBondContact N-O 3.13Å; N374-K391 PolarHBondContact O-N 2.81Å; N374-I393 HydrophobicContact CB-CD1 4.11Å; N374-I393 HydrophobicContact CB-CG1 4.17Å; N374-C398 VanDerWaalsContact CG-SG 3.53Å; N374-C398 PolarHBondContact ND2-SG 3.04Å; N374-C398 VanDerWaalsContact ND2-SG 3.37Å
375	E	88.3	Confident	90.6	Very high	43 Å²	43	38.5 Å²	38.5	20%	0.201	21%	0.205	C	C	.	.	S	Bend	trans	56.8	44.3	170.4	-62.6	-175.1	139.4	0	0	114.7	D336 R337 K377 K391	D336-E375 HydrophobicContact CB-CG 3.88Å; D336-E375 WeakPolarHBondContact O-CA 3.46Å; D336-E375 PolarHBondContact O-N 2.79Å; R337-E375 HydrophobicContact CG-CG 4.49Å; R337-E375 IonicContact CZ-OE1 3.78Å; R337-E375 IonicContact CZ-OE2 3.48Å; R337-E375 IonicContact NE-OE1 3.59Å; R337-E375 PolarHBondContact NE-OE1 3.22Å; R337-E375 IonicContact NE-OE2 2.68Å; R337-E375 IonicContact NH1-OE1 2.78Å; R337-E375 PolarHBondContact NH1-OE1 2.87Å; R337-E375 IonicContact NH2-OE1 2.81Å; R337-E375 PolarHBondContact NH2-OE1 2.91Å; R337-E375 IonicContact NH2-OE2 3.51Å; R337-E375 PolarHBondContact NH2-OE2 2.82Å; E375-K377 PolarHBondContact O-N 3.03Å; E375-K391 HydrophobicContact CB-CB 4.23Å
376	V	91.6	Very high	91	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.216	C	C	.	.			trans	-69.1	115.3	-174.2	-175.8	0	0	0	0	111.8	V333 W338 S342 M373 N374 I385 C388 F390	V333-V376 HydrophobicContact CG1-CG2 3.83Å; W338-V376 HydrophobicContact CE3-CB 4.26Å; W338-V376 HydrophobicContact CZ3-CB 4.08Å; W338-V376 HydrophobicContact CZ3-CG1 4.24Å; W338-V376 HydrophobicContact CZ3-CG2 4.42Å; S342-V376 PolarHBondContact OG-O 2.93Å; M373-V376 HydrophobicContact CB-CG2 3.86Å; M373-V376 HydrophobicContact SD-CG2 4.18Å; N374-V376 PolarHBondContact O-N 3.39Å; V376-I385 HydrophobicContact CG1-CD1 4.32Å; V376-I385 HydrophobicContact CG1-CG1 4.02Å; V376-C388 HydrophobicContact CG1-CB 3.97Å; V376-F390 HydrophobicContact CG2-CB 4.03Å
377	K	90.4	Very high	91.3	Very high	106 Å²	106	45.6 Å²	45.6	46%	0.461	24%	0.239	S	C	.	.			trans	-114.7	77.6	-176	-69.8	175.4	-174.7	172.5	0	112.5	E375 P389	E375-K377 PolarHBondContact O-N 3.03Å; K377-P389 PolarHBondContact N-O 2.97Å; K377-P389 WeakPolarHBondContact O-CD 3.36Å
378	C	92.2	Very high	91.5	Very high	11 Å²	11	45.7 Å²	45.7	7%	0.074	24%	0.238	C	C	.	.			trans	-75.6	147.7	174.8	-59.6	0	0	0	0	112.7	S342 V345 C388	S342-C378 VanDerWaalsContact CA-SG 3.57Å; S342-C378 PolarHBondContact OG-N 3.05Å; V345-C378 HydrophobicContact CG2-CB 3.84Å; C378-C388 VanDerWaalsContact CA-SG 3.58Å; C378-C388 HydrophobicContact CB-CB 3.99Å; C378-C388 WeakPolarHBondContact CB-SG 3.43Å; C378-C388 WeakPolarHBondContact SG-CB 3.48Å; C378-C388 CovalentContact SG-SG 2.03Å; C378-C388 PolarHBondContact SG-SG 2.97Å
379	V	90	Very high	91.9	Very high	94 Å²	94	46.6 Å²	46.6	57%	0.57	25%	0.249	S	C	*	.			trans	-80.3	-27.1	169.6	-177.4	0	0	0	0	111.3	S257 E382	S257-V379 VanDerWaalsContact CB-O 3.26Å; S257-V379 WeakPolarHBondContact CB-O 3.26Å; V379-E382 WeakPolarHBondContact CB-OE1 3.36Å; V379-E382 PolarHBondContact N-OE1 3.09Å; V379-E382 PolarHBondContact N-OE2 3.22Å
380	G	86.7	Confident	92.1	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.01	24%	0.239	C	C	.	.	S	Bend	trans	105.8	0.4	177.4	0	0	0	0	0	115.1	R348 E382	R348-G380 PolarHBondContact NH1-O 2.79Å; G380-E382 WeakPolarHBondContact CA-OE2 3.5Å; G380-E382 PolarHBondContact N-OE2 3.06Å
381	N	88.9	Confident	92	Very high	87 Å²	87	49.7 Å²	49.7	47%	0.465	25%	0.245	S	C	.	.			trans	-111.9	-6.8	-179.9	-71.3	-31.8	0	0	0	113.4
382	E	93.7	Very high	91.6	Very high	36 Å²	36	54.1 Å²	54.1	17%	0.168	27%	0.27	C	S	.	.			trans	-57.9	148.5	174.3	-61.9	87.7	163.4	0	0	110.7	V345 V379 G380 N387	V345-E382 HydrophobicContact CG1-CB 4.07Å; V345-E382 HydrophobicContact CG2-CB 4.24Å; V379-E382 WeakPolarHBondContact CB-OE1 3.36Å; V379-E382 PolarHBondContact N-OE1 3.09Å; V379-E382 PolarHBondContact N-OE2 3.22Å; G380-E382 WeakPolarHBondContact CA-OE2 3.5Å; G380-E382 PolarHBondContact N-OE2 3.06Å; E382-N387 HydrophobicContact CB-CB 4.16Å; E382-N387 HydrophobicContact CG-CB 4.2Å
383	K	91.1	Very high	91	Very high	186 Å²	186	55 Å²	55	81%	0.809	28%	0.276	S	S	*	.	S	Bend	trans	-88.4	-23.3	177.8	-67.2	-175.7	-179.4	177.8	0	112.9
384	S	93.6	Very high	90	Very high	16 Å²	16	58.7 Å²	58.7	11%	0.112	30%	0.299	C	S	.	.	S	Bend	trans	-142.6	151.1	177.8	178.6	0	0	0	0	110.1	E349 W386 N387	E349-S384 WeakPolarHBondContact OE1-CB 3.03Å; E349-S384 PolarHBondContact OE1-OG 2.77Å; E349-S384 WeakPolarHBondContact OE2-CA 3.12Å; E349-S384 WeakPolarHBondContact OE2-CB 3.24Å; E349-S384 PolarHBondContact OE2-OG 2.69Å; E349-S384 VanDerWaalsContact OE2-OG 3.06Å; S384-W386 PolarHBondContact O-N 3.2Å; S384-W386 PolarHBondContact OG-N 3.44Å; S384-N387 WeakPolarHBondContact O-CB 3.4Å; S384-N387 PolarHBondContact O-N 2.6Å
385	I	95.3	Very high	88.7	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-59	-31	175.2	-168	176.4	0	0	0	112.2	V309 V324 V333 W338 V346 E349 M373 V376 N387 C388	V309-I385 HydrophobicContact CG2-CG2 3.67Å; V324-I385 HydrophobicContact CG1-CG2 3.94Å; V333-I385 HydrophobicContact CG2-CD1 4.37Å; W338-I385 HydrophobicContact CH2-CD1 3.94Å; W338-I385 HydrophobicContact CZ3-CD1 3.99Å; V346-I385 HydrophobicContact CG2-CB 4.14Å; V346-I385 HydrophobicContact CG2-CD1 3.71Å; V346-I385 HydrophobicContact CG2-CG1 4.29Å; E349-I385 PolarHBondContact OE2-N 2.5Å; M373-I385 HydrophobicContact CE-CG2 4.22Å; M373-I385 HydrophobicContact SD-CD1 4Å; M373-I385 HydrophobicContact SD-CG1 4.1Å; V376-I385 HydrophobicContact CG1-CD1 4.32Å; V376-I385 HydrophobicContact CG1-CG1 4.02Å; I385-N387 PolarHBondContact O-N 3.48Å; I385-N387 VanDerWaalsContact O-N 3.16Å; I385-C388 WeakPolarHBondContact O-CB 3.29Å; I385-C388 PolarHBondContact O-N 3.02Å
386	W	94.6	Very high	87.7	Confident	64 Å²	64	70.7 Å²	70.7	24%	0.242	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-64.9	-16.1	175.5	-68.8	102.5	0	0	0	113.8	V324 L325 K326 M373 S384 F390	V324-W386 HydrophobicContact CB-CH2 4.46Å; V324-W386 HydrophobicContact CB-CZ2 3.57Å; V324-W386 HydrophobicContact CG2-CH2 3.94Å; V324-W386 HydrophobicContact CG2-CZ2 3.53Å; L325-W386 VanDerWaalsContact O-CZ2 3.26Å; L325-W386 WeakPolarHBondContact O-CZ2 3.41Å; K326-W386 HydrophobicContact CB-CH2 3.8Å; K326-W386 HydrophobicContact CB-CZ2 4.14Å; K326-W386 HydrophobicContact CD-CH2 4.11Å; K326-W386 HydrophobicContact CD-CZ3 4.49Å; K326-W386 HydrophobicContact CG-CH2 4.05Å; M373-W386 HydrophobicContact CE-CD2 3.26Å; M373-W386 HydrophobicContact CE-CE3 3.14Å; M373-W386 HydrophobicContact CE-CG 3.97Å; M373-W386 HydrophobicContact CE-CH2 3.52Å; M373-W386 HydrophobicContact CE-CZ2 3.66Å; M373-W386 HydrophobicContact CE-CZ3 3.27Å; S384-W386 PolarHBondContact O-N 3.2Å; S384-W386 PolarHBondContact OG-N 3.44Å; W386-F390 HydrophobicContact CE3-CE1 4.23Å; W386-F390 HydrophobicContact CE3-CZ 4.23Å; W386-F390 HydrophobicContact CZ3-CZ 4.13Å
387	N	95.3	Very high	86.8	Confident	110 Å²	110	72.9 Å²	72.9	59%	0.588	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-87.7	-7.7	173.9	-64.4	110.3	0	0	0	113.1	E382 S384 I385	E382-N387 HydrophobicContact CB-CB 4.16Å; E382-N387 HydrophobicContact CG-CB 4.2Å; S384-N387 WeakPolarHBondContact O-CB 3.4Å; S384-N387 PolarHBondContact O-N 2.6Å; I385-N387 PolarHBondContact O-N 3.48Å; I385-N387 VanDerWaalsContact O-N 3.16Å
388	C	94.6	Very high	86.5	Confident	5 Å²	5	68.3 Å²	68.3	3%	0.034	37%	0.365	C	S	.	.	S	Bend	trans	-81.6	147.3	175.8	-57	0	0	0	0	110.5	V376 C378 I385 F390	V376-C388 HydrophobicContact CG1-CB 3.97Å; C378-C388 VanDerWaalsContact CA-SG 3.58Å; C378-C388 HydrophobicContact CB-CB 3.99Å; C378-C388 WeakPolarHBondContact CB-SG 3.43Å; C378-C388 WeakPolarHBondContact SG-CB 3.48Å; C378-C388 CovalentContact SG-SG 2.03Å; C378-C388 PolarHBondContact SG-SG 2.97Å; I385-C388 WeakPolarHBondContact O-CB 3.29Å; I385-C388 PolarHBondContact O-N 3.02Å; C388-F390 VanDerWaalsContact O-CD1 3.29Å; C388-F390 WeakPolarHBondContact O-CD1 3.4Å; C388-F390 PolarHBondContact O-N 2.99Å
389	P	95.3	Very high	86.1	Confident	82 Å²	82	73.2 Å²	73.2	53%	0.532	39%	0.387	S	S	.	.			trans	-59.3	131.3	165.9	-23	31.6	0	0	0	111.8	K377	K377-P389 PolarHBondContact N-O 2.97Å; K377-P389 WeakPolarHBondContact O-CD 3.36Å
390	F	93.1	Very high	86	Confident	65 Å²	65	70.6 Å²	70.6	29%	0.285	37%	0.368	S	S	.	.			trans	-144.9	159.4	174.1	63.9	-93.4	0	0	0	110.7	M373 V376 W386 C388	M373-F390 HydrophobicContact CB-CB 4.46Å; M373-F390 HydrophobicContact CB-CD2 4.3Å; M373-F390 HydrophobicContact CB-CG 4.42Å; M373-F390 HydrophobicContact CE-CE1 4.34Å; M373-F390 HydrophobicContact CG-CD1 4.46Å; M373-F390 HydrophobicContact CG-CD2 4.04Å; M373-F390 HydrophobicContact CG-CE2 4.31Å; M373-F390 HydrophobicContact CG-CG 4.14Å; V376-F390 HydrophobicContact CG2-CB 4.03Å; W386-F390 HydrophobicContact CE3-CE1 4.23Å; W386-F390 HydrophobicContact CE3-CZ 4.23Å; W386-F390 HydrophobicContact CZ3-CZ 4.13Å; C388-F390 VanDerWaalsContact O-CD1 3.29Å; C388-F390 WeakPolarHBondContact O-CD1 3.4Å; C388-F390 PolarHBondContact O-N 2.99Å
391	K	88.3	Confident	85.9	Confident	83 Å²	83	73.7 Å²	73.7	36%	0.361	38%	0.384	S	S	.	.	B	Isolated β-bridge	trans	-88.9	137.1	174.4	-171.9	-165.9	171.1	-164.1	0	109.2	N374 E375 D397	N374-K391 PolarHBondContact N-O 3.13Å; N374-K391 PolarHBondContact O-N 2.81Å; E375-K391 HydrophobicContact CB-CB 4.23Å; K391-D397 IonicContact NZ-OD1 3.69Å; K391-D397 PolarHBondContact NZ-OD1 2.52Å; K391-D397 IonicContact NZ-OD2 3.47Å
392	N	84.4	Confident	85.7	Confident	117 Å²	117	71.1 Å²	71.1	63%	0.626	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-70	137.1	168.5	-70.9	-28.4	0	0	0	109.5
393	I	80.3	Confident	85.6	Confident	48 Å²	48	69.4 Å²	69.4	25%	0.246	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-89.2	147.5	-172.8	-143	165.3	0	0	0	112.4	C334 I371 N374 D397 C398	C334-I393 HydrophobicContact CB-CD1 4.33Å; I371-I393 HydrophobicContact CB-CD1 3.85Å; I371-I393 HydrophobicContact CG2-CD1 3.47Å; I371-I393 VanDerWaalsContact CG2-CD1 3.47Å; I371-I393 WeakPolarHBondContact O-CG2 3.41Å; N374-I393 HydrophobicContact CB-CD1 4.11Å; N374-I393 HydrophobicContact CB-CG1 4.17Å; I393-D397 HydrophobicContact CG1-CB 3.8Å; I393-C398 HydrophobicContact CD1-CB 3.84Å
394	T	73	Confident	85.7	Confident	78 Å²	78	60.6 Å²	60.6	48%	0.479	32%	0.322	S	S	.	.			trans	-109.7	159.1	159.8	65	0	0	0	0	109.5	E396 D397	T394-E396 PolarHBondContact O-N 3.48Å; T394-D397 WeakPolarHBondContact CB-OD2 3.35Å; T394-D397 PolarHBondContact N-OD2 3.22Å; T394-D397 WeakPolarHBondContact O-CB 3.49Å; T394-D397 PolarHBondContact O-N 3.12Å; T394-D397 PolarHBondContact OG1-OD2 3.43Å
395	A	62.3	Low	85.7	Confident	104 Å²	104	59.9 Å²	59.9	86%	0.86	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-15.9	-175.9	0	0	0	0	0	114.3
396	E	67.3	Low	85.7	Confident	191 Å²	191	59.9 Å²	59.9	89%	0.893	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-9.6	179.6	-64.2	168.4	-173.5	0	0	112.7	T394	T394-E396 PolarHBondContact O-N 3.48Å
397	D	72.2	Confident	85.5	Confident	47 Å²	47	59.8 Å²	59.8	25%	0.251	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-40.5	-174.2	-74.9	-61.7	0	0	0	113.1	K391 I393 T394	K391-D397 IonicContact NZ-OD1 3.69Å; K391-D397 PolarHBondContact NZ-OD1 2.52Å; K391-D397 IonicContact NZ-OD2 3.47Å; I393-D397 HydrophobicContact CG1-CB 3.8Å; T394-D397 WeakPolarHBondContact CB-OD2 3.35Å; T394-D397 PolarHBondContact N-OD2 3.22Å; T394-D397 WeakPolarHBondContact O-CB 3.49Å; T394-D397 PolarHBondContact O-N 3.12Å; T394-D397 PolarHBondContact OG1-OD2 3.43Å
398	C	84.1	Confident	85.4	Confident	10 Å²	10	55 Å²	55	7%	0.068	29%	0.292	C	S	.	.			trans	-147.3	155.6	-179.8	-58.9	0	0	0	0	113.5	C334 I371 N374 I393 E402	C334-C398 HydrophobicContact CB-CB 3.7Å; C334-C398 WeakPolarHBondContact CB-SG 3.37Å; C334-C398 WeakPolarHBondContact SG-CB 3.11Å; C334-C398 CovalentContact SG-SG 2.03Å; C334-C398 PolarHBondContact SG-SG 3.22Å; I371-C398 HydrophobicContact CD1-CB 4.21Å; N374-C398 VanDerWaalsContact CG-SG 3.53Å; N374-C398 PolarHBondContact ND2-SG 3.04Å; N374-C398 VanDerWaalsContact ND2-SG 3.37Å; I393-C398 HydrophobicContact CD1-CB 3.84Å; C398-E402 VanDerWaalsContact CA-OE2 3.25Å; C398-E402 WeakPolarHBondContact CA-OE2 3.25Å
399	Q	84.8	Confident	85.2	Confident	114 Å²	114	56.6 Å²	56.6	53%	0.533	30%	0.3	S	S	.	.			trans	-117.5	166.3	171.6	-63.1	-177	-10.9	0	0	111.6	M401 E402	Q399-M401 HydrophobicContact CB-CG 4.15Å; Q399-M401 PolarHBondContact O-N 3.36Å; Q399-M401 VanDerWaalsContact O-N 3.11Å; Q399-E402 PolarHBondContact N-OE2 2.75Å; Q399-E402 WeakPolarHBondContact O-CA 3.43Å; Q399-E402 WeakPolarHBondContact O-CB 3.29Å; Q399-E402 PolarHBondContact O-N 3.38Å
400	H	88	Confident	84.9	Confident	38 Å²	38	56.1 Å²	56.1	18%	0.176	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-64.8	-15.4	180	-75.9	-57	0	0	0	114.5	A362 Q366 G369 E402 D403	A362-H400 WeakPolarHBondContact CB-O 3.34Å; Q366-H400 HydrophobicContact CB-CB 4.19Å; G369-H400 PolarHBondContact N-NE2 2.85Å; G369-H400 PolarHBondContact O-CE1 3.27Å; G369-H400 PolarHBondContact O-NE2 3.03Å; H400-E402 PolarHBondContact O-N 3.19Å; H400-D403 IonicContact CG-OD2 2.62Å; H400-D403 IonicContact ND1-OD1 3.97Å; H400-D403 PolarHBondContact ND1-OD1 3.09Å; H400-D403 IonicContact ND1-OD2 3.34Å; H400-D403 PolarHBondContact ND1-OD2 3.39Å; H400-D403 WeakPolarHBondContact O-CB 3.45Å; H400-D403 VanDerWaalsContact O-CG 3.27Å; H400-D403 PolarHBondContact O-N 3.41Å
401	M	83.3	Confident	84.8	Confident	67 Å²	67	53.1 Å²	53.1	33%	0.33	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-65.7	-16.5	168.8	72.1	-175.1	-72.2	0	0	112.6	D151 G361 A362 Q399	D151-M401 HydrophobicContact CB-CE 4.33Å; G361-M401 CarbonylContact C-O 3.56Å; G361-M401 WeakPolarHBondContact CA-O 3.43Å; A362-M401 PolarHBondContact N-O 2.91Å; A362-M401 VanDerWaalsContact N-O 3.13Å; Q399-M401 HydrophobicContact CB-CG 4.15Å; Q399-M401 PolarHBondContact O-N 3.36Å; Q399-M401 VanDerWaalsContact O-N 3.11Å
402	E	85.4	Confident	84.8	Confident	32 Å²	32	56 Å²	56	15%	0.15	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-103.6	17.6	179.2	-61.4	166.6	125.4	0	0	111.4	C334 D335 C398 Q399 H400 A404	C334-E402 CarbonylContact C-O 3.45Å; C334-E402 WeakPolarHBondContact CA-O 3.13Å; D335-E402 VanDerWaalsContact CB-O 3.23Å; D335-E402 WeakPolarHBondContact CB-O 3.27Å; D335-E402 VanDerWaalsContact CG-O 3.25Å; D335-E402 PolarHBondContact N-O 3.3Å; D335-E402 WeakPolarHBondContact OD2-CA 3.43Å; C398-E402 VanDerWaalsContact CA-OE2 3.25Å; C398-E402 WeakPolarHBondContact CA-OE2 3.25Å; Q399-E402 PolarHBondContact N-OE2 2.75Å; Q399-E402 WeakPolarHBondContact O-CA 3.43Å; Q399-E402 WeakPolarHBondContact O-CB 3.29Å; Q399-E402 PolarHBondContact O-N 3.38Å; H400-E402 PolarHBondContact O-N 3.19Å; E402-A404 PolarHBondContact O-N 2.89Å
403	D	91.4	Very high	84.8	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.005	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-66.7	126	177.5	-75.2	-26.6	0	0	0	111.2	R321 T332 A362 G367 H400	R321-D403 HydrophobicContact CG-CB 4.14Å; T332-D403 WeakPolarHBondContact CB-OD1 3.25Å; T332-D403 PolarHBondContact OG1-OD1 2.82Å; A362-D403 WeakPolarHBondContact CA-O 3.15Å; A362-D403 HydrophobicContact CB-CB 4.36Å; A362-D403 PolarHBondContact N-O 3.18Å; G367-D403 WeakPolarHBondContact CA-OD2 3.31Å; G367-D403 PolarHBondContact N-OD2 3.26Å; H400-D403 IonicContact CG-OD2 2.62Å; H400-D403 IonicContact ND1-OD1 3.97Å; H400-D403 PolarHBondContact ND1-OD1 3.09Å; H400-D403 IonicContact ND1-OD2 3.34Å; H400-D403 PolarHBondContact ND1-OD2 3.39Å; H400-D403 WeakPolarHBondContact O-CB 3.45Å; H400-D403 VanDerWaalsContact O-CG 3.27Å; H400-D403 PolarHBondContact O-N 3.41Å
404	A	93.6	Very high	84.9	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.266	C	S	.	.			trans	-74.1	144.3	-179.7	0	0	0	0	0	112	V322 V333 D335 W338 E402	V322-A404 PolarHBondContact N-O 2.95Å; V333-A404 HydrophobicContact CB-CB 4.39Å; V333-A404 HydrophobicContact CG1-CB 4.28Å; V333-A404 VanDerWaalsContact O-CB 3.3Å; V333-A404 WeakPolarHBondContact O-CB 3.3Å; V333-A404 PolarHBondContact O-N 2.9Å; D335-A404 HydrophobicContact CB-CB 4.02Å; W338-A404 HydrophobicContact CD2-CB 3.86Å; W338-A404 HydrophobicContact CE3-CB 4.37Å; W338-A404 HydrophobicContact CG-CB 3.9Å; E402-A404 PolarHBondContact O-N 2.89Å
405	A	93.7	Very high	85.5	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.008	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	164.4	178.8	0	0	0	0	0	111.7	G320 W338 L359 M364	G320-A405 VanDerWaalsContact O-CA 3.32Å; G320-A405 WeakPolarHBondContact O-CA 3.33Å; G320-A405 WeakPolarHBondContact O-CB 3.13Å; W338-A405 PolarHBondContact NE1-O 2.03Å; L359-A405 HydrophobicContact CB-CB 3.74Å; L359-A405 HydrophobicContact CD1-CB 4.27Å; L359-A405 PolarHBondContact N-O 2.81Å; L359-A405 PolarHBondContact O-N 2.96Å; M364-A405 HydrophobicContact CB-CB 3.79Å; M364-A405 HydrophobicContact CG-CB 3.71Å
406	V	94.3	Very high	86.5	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	153.1	178.7	-59.4	0	0	0	0	111.8	L311 E319 G320 V322 W338 A343 V346	L311-V406 HydrophobicContact CD1-CG2 3.82Å; L311-V406 HydrophobicContact CD2-CG2 3.5Å; L311-V406 VanDerWaalsContact CD2-CG2 3.5Å; L311-V406 HydrophobicContact CG-CG2 4.33Å; E319-V406 WeakPolarHBondContact CA-O 3.42Å; G320-V406 PolarHBondContact N-O 3.23Å; G320-V406 PolarHBondContact O-N 3.44Å; V322-V406 HydrophobicContact CG2-CB 4.46Å; V322-V406 HydrophobicContact CG2-CG1 3.7Å; V322-V406 HydrophobicContact CG2-CG2 4.1Å; W338-V406 HydrophobicContact CZ2-CG1 3.56Å; A343-V406 HydrophobicContact CB-CB 4.32Å; A343-V406 HydrophobicContact CB-CG1 3.46Å; A343-V406 VanDerWaalsContact CB-CG1 3.46Å; V346-V406 HydrophobicContact CG1-CG2 4.27Å
407	R	91.1	Very high	87.4	Confident	63 Å²	63	42.9 Å²	42.9	24%	0.238	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	121.7	157.7	-63.6	-171.2	166.9	133.7	-4.2	109.3	G318 E319 A355 K356 E357 L359 M364	G318-R407 CarbonylContact O-C 3.5Å; E319-R407 HydrophobicContact CB-CG 4.1Å; E319-R407 HydrophobicContact CG-CB 3.95Å; E319-R407 HydrophobicContact CG-CG 3.72Å; E319-R407 WeakPolarHBondContact OE2-CD 3.24Å; E319-R407 IonicContact OE2-CZ 2.85Å; E319-R407 IonicContact OE2-NE 2.69Å; E319-R407 PolarHBondContact OE2-NE 3.28Å; A355-R407 CarbonylContact C-O 3.49Å; A355-R407 WeakPolarHBondContact CA-O 3.01Å; K356-R407 WeakPolarHBondContact CA-O 3.49Å; K356-R407 HydrophobicContact CB-CB 4.5Å; K356-R407 WeakPolarHBondContact CB-O 3.44Å; K356-R407 PolarHBondContact N-O 3.43Å; E357-R407 HydrophobicContact CB-CB 4.07Å; E357-R407 HydrophobicContact CB-CG 4.39Å; E357-R407 HydrophobicContact CG-CB 4.36Å; E357-R407 PolarHBondContact N-O 2.76Å; E357-R407 VanDerWaalsContact N-O 3.13Å; E357-R407 PolarHBondContact O-N 2.98Å; E357-R407 IonicContact OE1-NH1 3.86Å; E357-R407 WeakPolarHBondContact OE2-CD 3.46Å; E357-R407 IonicContact OE2-CZ 2.98Å; E357-R407 IonicContact OE2-NE 3.78Å; E357-R407 IonicContact OE2-NH1 3.79Å; E357-R407 PolarHBondContact OE2-NH1 2.88Å; L359-R407 HydrophobicContact CD1-CG 3.93Å; M364-R407 HydrophobicContact CE-CG 3.88Å
408	C	93.1	Very high	88.3	Confident	9 Å²	9	42.2 Å²	42.2	6%	0.061	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	148	-177.9	-56.1	0	0	0	0	111.4	G318 C347 F352	G318-C408 VanDerWaalsContact O-CB 3.27Å; G318-C408 WeakPolarHBondContact O-CB 3.36Å; G318-C408 PolarHBondContact O-N 3.42Å; G318-C408 PolarHBondContact O-SG 2.78Å; C347-C408 WeakPolarHBondContact CA-SG 3.44Å; C347-C408 HydrophobicContact CB-CB 3.69Å; C347-C408 WeakPolarHBondContact CB-SG 2.99Å; C347-C408 WeakPolarHBondContact SG-CA 3.13Å; C347-C408 WeakPolarHBondContact SG-CB 3.45Å; C347-C408 CovalentContact SG-SG 2.03Å; C347-C408 PolarHBondContact SG-SG 2.85Å; F352-C408 HydrophobicContact CB-CB 3.73Å; F352-C408 HydrophobicContact CD2-CB 4.15Å; F352-C408 HydrophobicContact CG-CB 4.05Å
409	N	89.9	Confident	88.8	Confident	38 Å²	38	42 Å²	42	20%	0.203	21%	0.206	C	C	.	.			trans	-68.7	132.7	163.7	-69.4	-48.8	0	0	0	109	M222 G224 G353 S354	M222-N409 WeakPolarHBondContact O-CB 3.24Å; G224-N409 VanDerWaalsContact CA-C 3.46Å; G224-N409 WeakPolarHBondContact CA-O 3.15Å; G353-N409 PolarHBondContact N-O 2.82Å; S354-N409 WeakPolarHBondContact O-CB 3.11Å; S354-N409 PolarHBondContact O-N 2.66Å; S354-N409 PolarHBondContact O-ND2 3.16Å; S354-N409 PolarHBondContact OG-ND2 3.06Å
410	I	90.1	Very high	89.2	Confident	72 Å²	72	40.7 Å²	40.7	37%	0.369	20%	0.197	S	C	.	.			trans	-120.2	148	175.4	63.5	173.3	0	0	0	110.1	F293 F352 Y412	F293-I410 HydrophobicContact CZ-CB 4.06Å; F293-I410 HydrophobicContact CZ-CG2 4.28Å; F352-I410 HydrophobicContact CD1-CG2 3.7Å; F352-I410 HydrophobicContact CE1-CG2 4.1Å; F352-I410 HydrophobicContact CG-CG2 4.46Å; I410-Y412 PolarHBondContact O-N 3.49Å
411	P	90.5	Very high	89.4	Confident	3 Å²	3	40.7 Å²	40.7	2%	0.019	20%	0.197	C	C	.	.			trans	-61.9	138.3	178.7	-22	34.9	0	0	0	111.3	P189 L223 G224 F225 F293 M413	P189-P411 HydrophobicContact CB-CB 3.61Å; P189-P411 HydrophobicContact CG-CB 4.15Å; L223-P411 WeakPolarHBondContact O-CA 3.48Å; G224-P411 VanDerWaalsContact O-CD 3.25Å; G224-P411 WeakPolarHBondContact O-CD 3.14Å; G224-P411 VanDerWaalsContact O-CG 3.31Å; G224-P411 WeakPolarHBondContact O-CG 3.29Å; F225-P411 HydrophobicContact CD1-CG 4.01Å; F225-P411 HydrophobicContact CE1-CB 3.94Å; F225-P411 HydrophobicContact CE1-CG 3.78Å; F225-P411 HydrophobicContact CE2-CB 4.44Å; F225-P411 HydrophobicContact CZ-CB 3.85Å; F225-P411 HydrophobicContact CZ-CG 4.13Å; F293-P411 HydrophobicContact CD1-CG 4.43Å; F293-P411 HydrophobicContact CD2-CG 3.98Å; F293-P411 HydrophobicContact CE2-CG 4.3Å; F293-P411 HydrophobicContact CG-CG 4.06Å; P411-M413 WeakPolarHBondContact O-CG 3.4Å; P411-M413 PolarHBondContact O-N 2.69Å
412	Y	87.4	Confident	89.8	Confident	144 Å²	144	38.6 Å²	38.6	57%	0.565	19%	0.188	S	C	*	.			trans	-66.4	121.5	176	179.3	-103.7	0	0	0	111.1	I410 E416 N417	I410-Y412 PolarHBondContact O-N 3.49Å; Y412-E416 WeakPolarHBondContact CE2-OE1 3.39Å; Y412-E416 PolarHBondContact OH-OE1 3.1Å; Y412-N417 PolarHBondContact OH-ND2 3.46Å
413	M	84.4	Confident	89.9	Confident	43 Å²	43	38.4 Å²	38.4	21%	0.212	20%	0.195	C	C	.	.			trans	-110	-8.6	-177.5	-63.4	-59.8	-66.6	0	0	113.7	L188 P189 F293 P411 L415	L188-M413 WeakPolarHBondContact CD1-O 3.36Å; P189-M413 HydrophobicContact CB-SD 3.74Å; P189-M413 VanDerWaalsContact CD-SD 3.54Å; P189-M413 HydrophobicContact CG-SD 3.9Å; F293-M413 HydrophobicContact CD1-CG 4.18Å; F293-M413 HydrophobicContact CD1-SD 4.04Å; F293-M413 HydrophobicContact CE1-CG 4.38Å; P411-M413 WeakPolarHBondContact O-CG 3.4Å; P411-M413 PolarHBondContact O-N 2.69Å; M413-L415 HydrophobicContact CB-CD1 3.86Å; M413-L415 HydrophobicContact CB-CG 3.73Å; M413-L415 PolarHBondContact O-N 2.95Å
414	G	83.3	Confident	89.7	Confident	16 Å²	16	39.7 Å²	39.7	17%	0.165	21%	0.208	C	C	.	.			trans	61.9	22.6	178.4	0	0	0	0	0	115.1	E416	G414-E416 VanDerWaalsContact C-N 3.34Å; G414-E416 VanDerWaalsContact C-OE2 3.28Å; G414-E416 WeakPolarHBondContact CA-OE1 3.39Å; G414-E416 WeakPolarHBondContact CA-OE2 3.36Å
415	L	84.9	Confident	89.3	Confident	39 Å²	39	51 Å²	51	20%	0.204	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-73.3	-28.6	-172.7	-64.7	171.3	0	0	0	112.1	M413 N417 S418 Q464 M500 A501	M413-L415 HydrophobicContact CB-CD1 3.86Å; M413-L415 HydrophobicContact CB-CG 3.73Å; M413-L415 PolarHBondContact O-N 2.95Å; L415-N417 PolarHBondContact O-N 3.2Å; L415-S418 PolarHBondContact O-N 2.89Å; L415-S418 VanDerWaalsContact O-N 3.17Å; L415-S418 PolarHBondContact O-OG 3.44Å; L415-Q464 HydrophobicContact CB-CG 4.3Å; L415-Q464 PolarHBondContact O-NE2 3.2Å; L415-M500 HydrophobicContact CD1-CB 3.72Å; L415-A501 HydrophobicContact CB-CB 4.42Å; L415-A501 HydrophobicContact CD1-CB 4.22Å; L415-A501 HydrophobicContact CD2-CB 4.13Å; L415-A501 HydrophobicContact CG-CB 4.49Å
416	E	83.3	Confident	89.1	Confident	64 Å²	64	53.6 Å²	53.6	30%	0.299	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-61.2	-25.2	178.7	67.7	-68.4	159.4	0	0	113	Y412 G414 S418 Q464	Y412-E416 WeakPolarHBondContact CE2-OE1 3.39Å; Y412-E416 PolarHBondContact OH-OE1 3.1Å; G414-E416 VanDerWaalsContact C-N 3.34Å; G414-E416 VanDerWaalsContact C-OE2 3.28Å; G414-E416 WeakPolarHBondContact CA-OE1 3.39Å; G414-E416 WeakPolarHBondContact CA-OE2 3.36Å; E416-S418 VanDerWaalsContact C-N 3.27Å; E416-S418 PolarHBondContact O-N 3.35Å; E416-Q464 WeakPolarHBondContact CB-O 3.32Å
417	N	87.7	Confident	88.8	Confident	99 Å²	99	62 Å²	62	53%	0.529	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-80	-8	179.9	-57.9	-55.2	0	0	0	113.6	Y412 L415	Y412-N417 PolarHBondContact OH-ND2 3.46Å; L415-N417 PolarHBondContact O-N 3.2Å
418	S	90.4	Very high	88.8	Confident	34 Å²	34	61 Å²	61	24%	0.238	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-90.2	-12.2	-179.3	65.6	0	0	0	0	113.9	L415 E416 V434 L435 Q464	L415-S418 PolarHBondContact O-N 2.89Å; L415-S418 VanDerWaalsContact O-N 3.17Å; L415-S418 PolarHBondContact O-OG 3.44Å; E416-S418 VanDerWaalsContact C-N 3.27Å; E416-S418 PolarHBondContact O-N 3.35Å; S418-V434 WeakPolarHBondContact O-CA 3.33Å; S418-V434 WeakPolarHBondContact O-CG2 3.32Å; S418-L435 PolarHBondContact O-N 3.23Å; S418-Q464 PolarHBondContact OG-NE2 3.37Å
419	I	94.4	Very high	88.8	Confident	6 Å²	6	62.5 Å²	62.5	3%	0.031	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	156.8	175.2	63.8	166.1	0	0	0	110.7	E433 V434 A461 Q464 L465 L502	I419-E433 CarbonylContact C-O 3.58Å; I419-E433 VanDerWaalsContact CA-O 3.23Å; I419-E433 WeakPolarHBondContact CA-O 3.31Å; I419-V434 HydrophobicContact CG2-CB 4.09Å; I419-V434 HydrophobicContact CG2-CG2 3.95Å; I419-A461 HydrophobicContact CD1-CB 4.32Å; I419-Q464 HydrophobicContact CD1-CB 3.96Å; I419-Q464 VanDerWaalsContact CD1-CD 3.44Å; I419-Q464 HydrophobicContact CD1-CG 3.8Å; I419-Q464 HydrophobicContact CG1-CG 4.01Å; I419-L465 HydrophobicContact CD1-CD1 4.17Å; I419-L465 HydrophobicContact CD1-CD2 4.21Å; I419-L465 HydrophobicContact CD1-CG 3.78Å; I419-L465 HydrophobicContact CG1-CD2 3.83Å; I419-L465 HydrophobicContact CG1-CG 3.99Å; I419-L465 WeakPolarHBondContact O-CD2 3.4Å; I419-L502 HydrophobicContact CD1-CD1 4.29Å; I419-L502 HydrophobicContact CG2-CD1 4.39Å
420	R	93.2	Very high	88.9	Confident	86 Å²	86	60.7 Å²	60.7	33%	0.325	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	162.7	171.3	68.5	-177.6	-174.8	-174.8	0.6	110.9	T422 E433 W445	R420-T422 HydrophobicContact CG-CG2 4.19Å; R420-E433 HydrophobicContact CG-CB 3.94Å; R420-E433 IonicContact CZ-OE2 3.44Å; R420-E433 PolarHBondContact N-O 2.68Å; R420-E433 IonicContact NE-OE2 2.97Å; R420-E433 PolarHBondContact NE-OE2 3.12Å; R420-E433 IonicContact NH2-OE2 3.08Å; R420-E433 PolarHBondContact NH2-OE2 3.42Å; R420-E433 PolarHBondContact O-N 3.09Å; R420-W445 HydrophobicContact CB-CH2 4.18Å; R420-W445 HydrophobicContact CB-CZ3 4.18Å; R420-W445 HydrophobicContact CG-CD2 4.39Å; R420-W445 HydrophobicContact CG-CE3 3.9Å; R420-W445 HydrophobicContact CG-CH2 3.94Å; R420-W445 HydrophobicContact CG-CZ2 4.42Å; R420-W445 HydrophobicContact CG-CZ3 3.66Å
421	I	92.8	Very high	89	Confident	37 Å²	37	57.8 Å²	57.8	19%	0.19	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	137.5	170.4	51.3	173.4	0	0	0	110.8	R427 R431 V432 L465 L467 V524	I421-R427 VanDerWaalsContact CD1-O 3.29Å; I421-R427 WeakPolarHBondContact CD1-O 3.44Å; I421-R431 CarbonylContact C-O 3.5Å; I421-R431 VanDerWaalsContact CA-O 3.26Å; I421-R431 WeakPolarHBondContact CA-O 3.48Å; I421-V432 HydrophobicContact CG2-CG2 4.18Å; I421-L465 HydrophobicContact CG1-CD1 4.29Å; I421-L465 HydrophobicContact CG2-CD1 3.74Å; I421-L467 HydrophobicContact CD1-CD1 3.56Å; I421-V524 HydrophobicContact CG2-CG2 3.68Å
422	T	91.3	Very high	89.2	Confident	24 Å²	24	57.6 Å²	57.6	15%	0.147	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	154.6	-178.6	68	0	0	0	0	112.1	R420 G424 G430 R431 E433	R420-T422 HydrophobicContact CG-CG2 4.19Å; T422-G424 VanDerWaalsContact C-N 3.29Å; T422-G424 PolarHBondContact O-N 3.48Å; T422-G430 WeakPolarHBondContact O-CA 3.49Å; T422-R431 PolarHBondContact N-O 3.16Å; T422-R431 PolarHBondContact O-N 2.86Å; T422-R431 PolarHBondContact OG1-NH2 3.14Å; T422-E433 HydrophobicContact CG2-CG 4.45Å; T422-E433 PolarHBondContact OG1-OE1 2.88Å
423	G	87.4	Confident	89.5	Confident	28 Å²	28	50.8 Å²	50.8	29%	0.289	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	80.1	-9.7	172.5	0	0	0	0	0	117.1	S482	G423-S482 WeakPolarHBondContact CA-OG 3.13Å; G423-S482 PolarHBondContact N-OG 3.49Å
424	G	86	Confident	90	Very high	27 Å²	27	49.4 Å²	49.4	28%	0.278	25%	0.245	S	C	.	.			trans	-65.4	157.8	176.2	0	0	0	0	0	114.7	T422 S426 E429	T422-G424 VanDerWaalsContact C-N 3.29Å; T422-G424 PolarHBondContact O-N 3.48Å; G424-S426 PolarHBondContact O-N 2.89Å; G424-E429 WeakPolarHBondContact CA-O 3.16Å
425	R	87.1	Confident	90.4	Very high	238 Å²	238	51 Å²	51	90%	0.898	25%	0.25	S	C	*	.	S	Bend	trans	-76.8	-15.8	174.6	-56.4	177.4	175.9	179.2	0.2	112.2	E429	R425-E429 WeakPolarHBondContact CA-OE1 3.46Å; R425-E429 WeakPolarHBondContact CB-OE1 3.5Å; R425-E429 PolarHBondContact N-OE1 3.01Å
426	S	88.3	Confident	90.5	Very high	55 Å²	55	51.1 Å²	51.1	39%	0.385	25%	0.254	S	S	.	.	S	Bend	trans	-136.8	168.4	177.8	83.9	0	0	0	0	111.1	G424 F428 E429	G424-S426 PolarHBondContact O-N 2.89Å; S426-F428 PolarHBondContact O-N 3.02Å; S426-F428 VanDerWaalsContact O-N 3.14Å; S426-F428 PolarHBondContact OG-N 2.96Å; S426-F428 VanDerWaalsContact OG-N 3.16Å; S426-E429 PolarHBondContact O-N 3.06Å
427	R	88.4	Confident	90.5	Very high	176 Å²	176	51.6 Å²	51.6	66%	0.664	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-4.4	174	72.7	175.8	-172.1	-177.6	0.5	114.5	I421	I421-R427 VanDerWaalsContact CD1-O 3.29Å; I421-R427 WeakPolarHBondContact CD1-O 3.44Å
428	F	90.2	Very high	90	Very high	44 Å²	44	50.3 Å²	50.3	19%	0.193	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-4.3	-177	-71.2	-79.9	0	0	0	112.8	S426 L467 C526 E528	S426-F428 PolarHBondContact O-N 3.02Å; S426-F428 VanDerWaalsContact O-N 3.14Å; S426-F428 PolarHBondContact OG-N 2.96Å; S426-F428 VanDerWaalsContact OG-N 3.16Å; F428-L467 HydrophobicContact CD1-CB 4.1Å; F428-L467 HydrophobicContact CD1-CD2 4.07Å; F428-L467 HydrophobicContact CE1-CB 4.37Å; F428-L467 HydrophobicContact CE1-CD2 4.09Å; F428-C526 HydrophobicContact CB-CB 4.43Å; F428-C526 HydrophobicContact CD1-CB 4.22Å; F428-C526 WeakPolarHBondContact O-CB 3.3Å; F428-C526 PolarHBondContact O-N 2.6Å; F428-E528 HydrophobicContact CE1-CG 4.02Å; F428-E528 HydrophobicContact CZ-CG 4.13Å
429	E	93.1	Very high	89.3	Confident	39 Å²	39	55.8 Å²	55.8	18%	0.182	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	155.3	-179.3	62	173.9	-159.5	0	0	111.2	G424 R425 S426 W480 V524 I525	G424-E429 WeakPolarHBondContact CA-O 3.16Å; R425-E429 WeakPolarHBondContact CA-OE1 3.46Å; R425-E429 WeakPolarHBondContact CB-OE1 3.5Å; R425-E429 PolarHBondContact N-OE1 3.01Å; S426-E429 PolarHBondContact O-N 3.06Å; E429-W480 HydrophobicContact CB-CH2 4.28Å; E429-W480 HydrophobicContact CB-CZ2 3.9Å; E429-W480 HydrophobicContact CG-CZ2 4.16Å; E429-V524 VanDerWaalsContact CA-O 3.28Å; E429-V524 WeakPolarHBondContact CA-O 3.19Å; E429-I525 HydrophobicContact CB-CB 4.45Å; E429-I525 HydrophobicContact CB-CG1 4.04Å; E429-I525 HydrophobicContact CB-CG2 4.4Å
430	G	92.9	Very high	88.5	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	154.6	177.1	172.9	0	0	0	0	0	113.2	T422 W480 G523 V524	T422-G430 WeakPolarHBondContact O-CA 3.49Å; G430-W480 VanDerWaalsContact C-CE3 3.47Å; G430-W480 WeakPolarHBondContact O-CZ3 2.9Å; G430-G523 WeakPolarHBondContact O-CA 3.39Å; G430-V524 PolarHBondContact N-O 2.7Å; G430-V524 PolarHBondContact O-N 2.8Å
431	R	92.8	Very high	87.8	Confident	11 Å²	11	61 Å²	61	4%	0.042	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	134.7	171.1	175.7	174.6	58.4	-108.1	-16.5	109.6	I421 T422 E433 L447 T477 W480 S521	I421-R431 CarbonylContact C-O 3.5Å; I421-R431 VanDerWaalsContact CA-O 3.26Å; I421-R431 WeakPolarHBondContact CA-O 3.48Å; T422-R431 PolarHBondContact N-O 3.16Å; T422-R431 PolarHBondContact O-N 2.86Å; T422-R431 PolarHBondContact OG1-NH2 3.14Å; R431-E433 IonicContact NE-OE1 3.82Å; R431-E433 IonicContact NH2-OE1 2.89Å; R431-L447 HydrophobicContact CG-CD2 4.28Å; R431-T477 HydrophobicContact CB-CG2 4.38Å; R431-W480 PolarHBondContact NH1-O 3.06Å; R431-S521 WeakPolarHBondContact CD-OG 3.42Å; R431-S521 WeakPolarHBondContact CG-OG 3.45Å
432	V	94.4	Very high	87.4	Confident	0 Å²	0	63 Å²	63	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	123.7	178.1	-174	0	0	0	0	109.7	I421 I448 W453 L502 A522 V524	I421-V432 HydrophobicContact CG2-CG2 4.18Å; V432-I448 HydrophobicContact CB-CD1 4.13Å; V432-I448 HydrophobicContact CG1-CD1 3.64Å; V432-W453 HydrophobicContact CG2-CZ2 4.45Å; V432-L502 HydrophobicContact CG1-CD1 4.21Å; V432-A522 PolarHBondContact N-O 3.29Å; V432-V524 HydrophobicContact CG2-CB 4.28Å; V432-V524 HydrophobicContact CG2-CG1 3.65Å; V432-V524 HydrophobicContact CG2-CG2 3.77Å
433	E	93.4	Very high	87.3	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	137.9	172.6	-59.7	-179.1	-175.8	0	0	109	I419 R420 T422 R431 W445 G446 L447 S483	I419-E433 CarbonylContact C-O 3.58Å; I419-E433 VanDerWaalsContact CA-O 3.23Å; I419-E433 WeakPolarHBondContact CA-O 3.31Å; R420-E433 HydrophobicContact CG-CB 3.94Å; R420-E433 IonicContact CZ-OE2 3.44Å; R420-E433 PolarHBondContact N-O 2.68Å; R420-E433 IonicContact NE-OE2 2.97Å; R420-E433 PolarHBondContact NE-OE2 3.12Å; R420-E433 IonicContact NH2-OE2 3.08Å; R420-E433 PolarHBondContact NH2-OE2 3.42Å; R420-E433 PolarHBondContact O-N 3.09Å; T422-E433 HydrophobicContact CG2-CG 4.45Å; T422-E433 PolarHBondContact OG1-OE1 2.88Å; R431-E433 IonicContact NE-OE1 3.82Å; R431-E433 IonicContact NH2-OE1 2.89Å; E433-W445 HydrophobicContact CB-CE3 4.02Å; E433-G446 CarbonylContact C-O 3.59Å; E433-G446 VanDerWaalsContact CA-O 3.27Å; E433-G446 WeakPolarHBondContact CA-O 3.2Å; E433-L447 HydrophobicContact CG-CD2 3.95Å; E433-S483 WeakPolarHBondContact OE1-CB 3.46Å; E433-S483 PolarHBondContact OE1-OG 2.69Å
434	V	94.1	Very high	87.5	Confident	14 Å²	14	69.1 Å²	69.1	9%	0.085	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	139.7	179.6	62.5	0	0	0	0	109.9	S418 I419 S436 G446 I448 V489 M490	S418-V434 WeakPolarHBondContact O-CA 3.33Å; S418-V434 WeakPolarHBondContact O-CG2 3.32Å; I419-V434 HydrophobicContact CG2-CB 4.09Å; I419-V434 HydrophobicContact CG2-CG2 3.95Å; V434-S436 PolarHBondContact O-N 3.22Å; V434-G446 PolarHBondContact N-O 3.37Å; V434-G446 PolarHBondContact O-N 3.19Å; V434-I448 HydrophobicContact CG1-CG1 4.21Å; V434-V489 HydrophobicContact CG1-CG2 3.24Å; V434-M490 HydrophobicContact CG2-CE 4.29Å
435	L	91.5	Very high	87.8	Confident	50 Å²	50	71.3 Å²	71.3	26%	0.262	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	117.7	176.2	-167.7	67.7	0	0	0	108.9	S418 E443 W445	S418-L435 PolarHBondContact O-N 3.23Å; L435-E443 HydrophobicContact CD1-CB 4.05Å; L435-E443 HydrophobicContact CG-CB 4.36Å; L435-W445 HydrophobicContact CB-CE3 4.2Å; L435-W445 HydrophobicContact CB-CH2 4.08Å; L435-W445 HydrophobicContact CB-CZ3 3.89Å; L435-W445 HydrophobicContact CD1-CD2 4.01Å; L435-W445 HydrophobicContact CD1-CE3 4.39Å; L435-W445 HydrophobicContact CD1-CG 4.43Å; L435-W445 HydrophobicContact CD1-CH2 4.39Å; L435-W445 HydrophobicContact CD1-CZ2 4.01Å
436	S	87.2	Confident	88	Confident	42 Å²	42	60 Å²	60	29%	0.294	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	151.4	175.6	-170.4	0	0	0	0	109.7	V434 E443 S444	V434-S436 PolarHBondContact O-N 3.22Å; S436-E443 CarbonylContact O-C 3.59Å; S436-E443 WeakPolarHBondContact O-CA 3.06Å; S436-S444 PolarHBondContact N-O 2.84Å; S436-S444 PolarHBondContact O-N 2.74Å; S436-S444 VanDerWaalsContact O-O 3.11Å
437	S	84.7	Confident	88.2	Confident	73 Å²	73	57.4 Å²	57.4	51%	0.51	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	128.7	173.2	176.5	0	0	0	0	109.2	T442	S437-T442 WeakPolarHBondContact CA-O 3.31Å
438	D	77.2	Confident	88.5	Confident	73 Å²	73	49 Å²	49	39%	0.39	28%	0.281	S	S	.	.			trans	-72.1	169.9	175	-63.9	-33.1	0	0	0	111.6	N440 G441 T442	D438-N440 PolarHBondContact O-N 3.11Å; D438-N440 VanDerWaalsContact O-N 3.1Å; D438-G441 PolarHBondContact O-N 2.9Å; D438-T442 PolarHBondContact N-O 2.75Å; D438-T442 PolarHBondContact OD2-OG1 2.88Å
439	T	75.2	Confident	88.6	Confident	149 Å²	149	47.1 Å²	47.1	91%	0.914	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-24.1	175.1	51.7	0	0	0	0	113.4
440	N	77.7	Confident	88.6	Confident	147 Å²	147	45.3 Å²	45.3	79%	0.786	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	0.3	176.6	-66.8	-18.6	0	0	0	113.6	D438 T442	D438-N440 PolarHBondContact O-N 3.11Å; D438-N440 VanDerWaalsContact O-N 3.1Å; N440-T442 VanDerWaalsContact C-N 3.32Å
441	G	78.4	Confident	88.4	Confident	53 Å²	53	48.7 Å²	48.7	55%	0.546	28%	0.281	S	S	.	.	S	Bend	trans	78.2	10.4	-179.5	0	0	0	0	0	114.9	D438	D438-G441 PolarHBondContact O-N 2.9Å
442	T	85.1	Confident	88.2	Confident	79 Å²	79	51.7 Å²	51.7	49%	0.485	30%	0.301	S	S	.	.			trans	-77.8	128.4	170.8	29.9	0	0	0	0	110.2	S437 D438 N440	S437-T442 WeakPolarHBondContact CA-O 3.31Å; D438-T442 PolarHBondContact N-O 2.75Å; D438-T442 PolarHBondContact OD2-OG1 2.88Å; N440-T442 VanDerWaalsContact C-N 3.32Å
443	E	88.6	Confident	88	Confident	146 Å²	146	51.8 Å²	51.8	68%	0.682	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.1	128.4	176.7	-64.4	-178.7	158.7	0	0	110.3	L435 S436	L435-E443 HydrophobicContact CD1-CB 4.05Å; L435-E443 HydrophobicContact CG-CB 4.36Å; S436-E443 CarbonylContact O-C 3.59Å; S436-E443 WeakPolarHBondContact O-CA 3.06Å
444	S	90.8	Very high	87.9	Confident	36 Å²	36	54.3 Å²	54.3	25%	0.252	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	150.5	179.1	65	0	0	0	0	110.3	S436	S436-S444 PolarHBondContact N-O 2.84Å; S436-S444 PolarHBondContact O-N 2.74Å; S436-S444 VanDerWaalsContact O-O 3.11Å
445	W	92.6	Very high	87.7	Confident	73 Å²	73	54 Å²	54	28%	0.277	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	136.1	175.2	-69.1	96.6	0	0	0	109.7	R420 E433 L435 V485	R420-W445 HydrophobicContact CB-CH2 4.18Å; R420-W445 HydrophobicContact CB-CZ3 4.18Å; R420-W445 HydrophobicContact CG-CD2 4.39Å; R420-W445 HydrophobicContact CG-CE3 3.9Å; R420-W445 HydrophobicContact CG-CH2 3.94Å; R420-W445 HydrophobicContact CG-CZ2 4.42Å; R420-W445 HydrophobicContact CG-CZ3 3.66Å; E433-W445 HydrophobicContact CB-CE3 4.02Å; L435-W445 HydrophobicContact CB-CE3 4.2Å; L435-W445 HydrophobicContact CB-CH2 4.08Å; L435-W445 HydrophobicContact CB-CZ3 3.89Å; L435-W445 HydrophobicContact CD1-CD2 4.01Å; L435-W445 HydrophobicContact CD1-CE3 4.39Å; L435-W445 HydrophobicContact CD1-CG 4.43Å; L435-W445 HydrophobicContact CD1-CH2 4.39Å; L435-W445 HydrophobicContact CD1-CZ2 4.01Å; W445-V485 HydrophobicContact CB-CG2 3.92Å; W445-V485 WeakPolarHBondContact O-CG1 3.44Å
446	G	92.1	Very high	87.6	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	171.3	176.2	0	0	0	0	0	113	E433 V434 E487	E433-G446 CarbonylContact C-O 3.59Å; E433-G446 VanDerWaalsContact CA-O 3.27Å; E433-G446 WeakPolarHBondContact CA-O 3.2Å; V434-G446 PolarHBondContact N-O 3.37Å; V434-G446 PolarHBondContact O-N 3.19Å; G446-E487 CarbonylContact C-O 3.31Å; G446-E487 WeakPolarHBondContact CA-O 2.85Å
447	L	92.1	Very high	87.9	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	160.5	-175.9	-55.3	-174.3	0	0	0	112.6	R431 E433 V485 E487 M488 V489 M490 A518	R431-L447 HydrophobicContact CG-CD2 4.28Å; E433-L447 HydrophobicContact CG-CD2 3.95Å; L447-V485 HydrophobicContact CD2-CB 4.31Å; L447-V485 HydrophobicContact CD2-CG1 3.72Å; L447-V485 HydrophobicContact CG-CG1 3.94Å; L447-E487 WeakPolarHBondContact CB-O 2.94Å; L447-E487 PolarHBondContact N-O 3.25Å; L447-M488 HydrophobicContact CB-CE 4.41Å; L447-M488 HydrophobicContact CB-SD 3.6Å; L447-M488 VanDerWaalsContact CB-SD 3.6Å; L447-M488 HydrophobicContact CD1-CE 4.41Å; L447-V489 PolarHBondContact O-N 3.37Å; L447-M490 PolarHBondContact O-N 2.85Å; L447-A518 HydrophobicContact CD1-CB 3.79Å
448	I	93.9	Very high	88.3	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	132.7	173.7	-55.3	168.2	0	0	0	108.8	V432 V434 G450 W453 M490 V493 L502 S521 A522	V432-I448 HydrophobicContact CB-CD1 4.13Å; V432-I448 HydrophobicContact CG1-CD1 3.64Å; V434-I448 HydrophobicContact CG1-CG1 4.21Å; I448-G450 PolarHBondContact O-N 3.34Å; I448-W453 HydrophobicContact CD1-CH2 4.43Å; I448-W453 HydrophobicContact CD1-CZ3 4.36Å; I448-W453 HydrophobicContact CG2-CE3 4.21Å; I448-W453 HydrophobicContact CG2-CZ3 4.05Å; I448-M490 WeakPolarHBondContact CA-O 3.43Å; I448-M490 HydrophobicContact CG1-CB 4.18Å; I448-M490 HydrophobicContact CG1-SD 4.47Å; I448-M490 HydrophobicContact CG2-CB 4.5Å; I448-V493 HydrophobicContact CG2-CG2 3.9Å; I448-L502 HydrophobicContact CD1-CD1 3.83Å; I448-S521 CarbonylContact O-C 3.44Å; I448-S521 WeakPolarHBondContact O-CA 3.29Å; I448-A522 HydrophobicContact CB-CB 4.08Å; I448-A522 HydrophobicContact CG2-CB 4.14Å; I448-A522 PolarHBondContact O-N 2.91Å
449	C	93.3	Very high	89	Confident	4 Å²	4	47.9 Å²	47.9	3%	0.027	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-64.9	126.7	176	-177.8	0	0	0	0	111.6	M490 C513	C449-M490 PolarHBondContact N-O 2.71Å; C449-C513 HydrophobicContact CB-CB 3.75Å; C449-C513 WeakPolarHBondContact CB-SG 3.21Å; C449-C513 WeakPolarHBondContact SG-CB 3.5Å; C449-C513 CovalentContact SG-SG 2.04Å; C449-C513 PolarHBondContact SG-SG 2.78Å
450	G	91.8	Very high	89.8	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.01	22%	0.223	C	C	.	.			trans	-81.7	-10.5	-174.4	0	0	0	0	0	116.6	I448 T452 W453 Q475 F520	I448-G450 PolarHBondContact O-N 3.34Å; G450-T452 VanDerWaalsContact C-N 3.26Å; G450-T452 PolarHBondContact O-N 3.03Å; G450-T452 VanDerWaalsContact O-N 3.09Å; G450-W453 WeakPolarHBondContact O-CB 3.42Å; G450-W453 PolarHBondContact O-N 2.89Å; G450-Q475 WeakPolarHBondContact O-CB 3.42Å; G450-Q475 VanDerWaalsContact O-CG 3.28Å; G450-Q475 WeakPolarHBondContact O-CG 3.19Å; G450-F520 WeakPolarHBondContact CA-O 3.45Å; G450-F520 PolarHBondContact N-O 2.91Å
451	E	89.1	Confident	90.6	Very high	72 Å²	72	33.8 Å²	33.8	34%	0.336	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-32.9	-169.6	-71.4	176.2	-179.3	0	0	115.5	Q514 K515	E451-Q514 WeakPolarHBondContact OE1-CA 3.39Å; E451-Q514 VanDerWaalsContact OE1-CB 3.26Å; E451-Q514 WeakPolarHBondContact OE1-CB 3.33Å; E451-Q514 PolarHBondContact OE1-N 3.1Å; E451-K515 PolarHBondContact OE1-N 3.22Å
452	T	88.4	Confident	91.4	Very high	74 Å²	74	31.3 Å²	31.3	45%	0.454	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.1	10.9	-178.3	46.9	0	0	0	0	112.3	G450 T454	G450-T452 VanDerWaalsContact C-N 3.26Å; G450-T452 PolarHBondContact O-N 3.03Å; G450-T452 VanDerWaalsContact O-N 3.09Å; T452-T454 PolarHBondContact O-N 2.95Å
453	W	91.8	Very high	91.7	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.008	14%	0.143	C	C	.	.			trans	-75.2	124.4	-175.3	-168.3	-103.5	0	0	0	110.8	V432 I448 G450 E457 A458 A461 L474 Q475 V493 L502 A522 G523 V524	V432-W453 HydrophobicContact CG2-CZ2 4.45Å; I448-W453 HydrophobicContact CD1-CH2 4.43Å; I448-W453 HydrophobicContact CD1-CZ3 4.36Å; I448-W453 HydrophobicContact CG2-CE3 4.21Å; I448-W453 HydrophobicContact CG2-CZ3 4.05Å; G450-W453 WeakPolarHBondContact O-CB 3.42Å; G450-W453 PolarHBondContact O-N 2.89Å; W453-E457 HydrophobicContact CD2-CB 3.83Å; W453-E457 HydrophobicContact CE3-CB 3.54Å; W453-E457 HydrophobicContact CE3-CG 4.05Å; W453-E457 HydrophobicContact CH2-CB 3.71Å; W453-E457 HydrophobicContact CZ2-CB 3.99Å; W453-E457 HydrophobicContact CZ3-CB 3.49Å; W453-E457 VanDerWaalsContact CZ3-CB 3.49Å; W453-E457 HydrophobicContact CZ3-CG 4.16Å; W453-A458 HydrophobicContact CZ2-CB 4.4Å; W453-A461 HydrophobicContact CH2-CB 4.4Å; W453-A461 HydrophobicContact CZ2-CB 4.32Å; W453-L474 VanDerWaalsContact CD1-O 3.32Å; W453-Q475 HydrophobicContact CB-CG 4.41Å; W453-Q475 WeakPolarHBondContact O-CG 3.37Å; W453-Q475 PolarHBondContact O-NE2 2.94Å; W453-V493 HydrophobicContact CZ3-CB 4.34Å; W453-V493 HydrophobicContact CZ3-CG1 4.34Å; W453-L502 HydrophobicContact CH2-CD1 3.89Å; W453-L502 HydrophobicContact CH2-CD2 3.78Å; W453-L502 HydrophobicContact CZ3-CD2 4.2Å; W453-A522 HydrophobicContact CB-CB 4.14Å; W453-A522 HydrophobicContact CD2-CB 3.46Å; W453-A522 VanDerWaalsContact CD2-CB 3.46Å; W453-A522 HydrophobicContact CE3-CB 3.75Å; W453-A522 HydrophobicContact CG-CB 3.64Å; W453-A522 HydrophobicContact CZ2-CB 4.35Å; W453-A522 HydrophobicContact CZ3-CB 4.3Å; W453-G523 PolarHBondContact NE1-O 2.85Å; W453-V524 HydrophobicContact CZ2-CG1 3.74Å
454	T	90.7	Very high	91.8	Very high	53 Å²	53	22.9 Å²	22.9	33%	0.325	11%	0.113	S	C	.	.			trans	-123.5	178.3	178.2	79.3	0	0	0	0	111.2	T452 R456 E457 A458	T452-T454 PolarHBondContact O-N 2.95Å; T454-R456 PolarHBondContact O-N 2.74Å; T454-R456 PolarHBondContact OG1-N 3.38Å; T454-E457 WeakPolarHBondContact CA-OE2 3.32Å; T454-E457 VanDerWaalsContact CB-OE2 3.29Å; T454-E457 WeakPolarHBondContact CB-OE2 3.32Å; T454-E457 PolarHBondContact N-OE2 3.42Å; T454-E457 PolarHBondContact O-N 3.48Å; T454-E457 PolarHBondContact OG1-OE2 3.44Å; T454-A458 PolarHBondContact O-N 3.08Å
455	T	88.9	Confident	91.9	Very high	8 Å²	8	23.1 Å²	23.1	5%	0.049	11%	0.111	C	C	.	.	H	α-helix	trans	-58.5	-29.8	173.6	-46.6	0	0	0	0	111.5	A458 M459 Y701 A704	T455-A458 WeakPolarHBondContact O-CB 3.34Å; T455-A458 PolarHBondContact O-N 2.77Å; T455-M459 WeakPolarHBondContact O-CG 3.32Å; T455-M459 PolarHBondContact O-N 3.33Å; T455-Y701 PolarHBondContact OG1-O 2.9Å; T455-A704 HydrophobicContact CG2-CB 3.77Å
456	R	89.5	Confident	91.7	Very high	78 Å²	78	20.9 Å²	20.9	29%	0.294	11%	0.111	S	C	.	.	H	α-helix	trans	-66.2	-44.7	178.9	-76.9	-170.7	-82.3	-151.1	-11.9	113.3	T454 A458 M459 V460 Y701	T454-R456 PolarHBondContact O-N 2.74Å; T454-R456 PolarHBondContact OG1-N 3.38Å; R456-A458 VanDerWaalsContact C-N 3.32Å; R456-M459 WeakPolarHBondContact O-CB 3.38Å; R456-M459 PolarHBondContact O-N 3.47Å; R456-V460 PolarHBondContact O-N 3.49Å; R456-Y701 HydrophobicContact CG-CD1 4.37Å
457	E	93.2	Very high	91.5	Very high	4 Å²	4	22.1 Å²	22.1	2%	0.019	12%	0.118	C	C	.	.	H	α-helix	trans	-66.9	-39.3	174.9	-66	64.8	-135.2	0	0	110.6	W453 T454 M459 V460 A461 V493 K494 C495	W453-E457 HydrophobicContact CD2-CB 3.83Å; W453-E457 HydrophobicContact CE3-CB 3.54Å; W453-E457 HydrophobicContact CE3-CG 4.05Å; W453-E457 HydrophobicContact CH2-CB 3.71Å; W453-E457 HydrophobicContact CZ2-CB 3.99Å; W453-E457 HydrophobicContact CZ3-CB 3.49Å; W453-E457 VanDerWaalsContact CZ3-CB 3.49Å; W453-E457 HydrophobicContact CZ3-CG 4.16Å; T454-E457 WeakPolarHBondContact CA-OE2 3.32Å; T454-E457 VanDerWaalsContact CB-OE2 3.29Å; T454-E457 WeakPolarHBondContact CB-OE2 3.32Å; T454-E457 PolarHBondContact N-OE2 3.42Å; T454-E457 PolarHBondContact O-N 3.48Å; T454-E457 PolarHBondContact OG1-OE2 3.44Å; E457-M459 VanDerWaalsContact C-N 3.3Å; E457-M459 PolarHBondContact O-N 3Å; E457-V460 PolarHBondContact O-N 3.25Å; E457-A461 PolarHBondContact O-N 3.33Å; E457-V493 HydrophobicContact CG-CB 4.33Å; E457-V493 HydrophobicContact CG-CG1 3.96Å; E457-V493 WeakPolarHBondContact CG-O 3.32Å; E457-K494 WeakPolarHBondContact OE1-CA 3.45Å; E457-C495 HydrophobicContact CG-CB 4.21Å; E457-C495 PolarHBondContact OE1-N 3.43Å
458	A	93.5	Very high	91.4	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-59.4	-40	174.4	0	0	0	0	0	112.2	W453 T454 T455 R456 V460 A461 C462 A470 V524	W453-A458 HydrophobicContact CZ2-CB 4.4Å; T454-A458 PolarHBondContact O-N 3.08Å; T455-A458 WeakPolarHBondContact O-CB 3.34Å; T455-A458 PolarHBondContact O-N 2.77Å; R456-A458 VanDerWaalsContact C-N 3.32Å; A458-V460 VanDerWaalsContact C-N 3.3Å; A458-V460 PolarHBondContact O-N 2.8Å; A458-A461 WeakPolarHBondContact O-CB 3.18Å; A458-A461 PolarHBondContact O-N 3.24Å; A458-A461 VanDerWaalsContact O-N 3.16Å; A458-C462 WeakPolarHBondContact O-CB 3.49Å; A458-C462 PolarHBondContact O-N 3.43Å; A458-C462 PolarHBondContact O-SG 3.31Å; A458-A470 HydrophobicContact CB-CB 3.59Å; A458-V524 HydrophobicContact CB-CB 4.4Å; A458-V524 HydrophobicContact CB-CG1 3.65Å
459	M	91.6	Very high	91.3	Very high	27 Å²	27	23 Å²	23	13%	0.133	12%	0.124	C	C	.	.	H	α-helix	trans	-58.1	-43.8	176.1	-72.3	-73.9	-78.7	0	0	111.1	T455 R456 E457 R463 Y469 A470 E705	T455-M459 WeakPolarHBondContact O-CG 3.32Å; T455-M459 PolarHBondContact O-N 3.33Å; R456-M459 WeakPolarHBondContact O-CB 3.38Å; R456-M459 PolarHBondContact O-N 3.47Å; E457-M459 VanDerWaalsContact C-N 3.3Å; E457-M459 PolarHBondContact O-N 3Å; M459-R463 WeakPolarHBondContact O-CB 3.29Å; M459-R463 PolarHBondContact O-N 1.99Å; M459-Y469 HydrophobicContact CE-CD1 3.88Å; M459-A470 HydrophobicContact CB-CB 4.39Å; M459-A470 HydrophobicContact CG-CB 3.92Å; M459-A470 HydrophobicContact SD-CB 3.78Å; M459-A470 PolarHBondContact SD-N 3.44Å; M459-E705 WeakPolarHBondContact CE-O 3.06Å
460	V	93.1	Very high	91.2	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-63.4	-43.6	176.5	177.5	0	0	0	0	110.9	R456 E457 A458 R463 Q464 C495 E499 L502	R456-V460 PolarHBondContact O-N 3.49Å; E457-V460 PolarHBondContact O-N 3.25Å; A458-V460 VanDerWaalsContact C-N 3.3Å; A458-V460 PolarHBondContact O-N 2.8Å; V460-R463 PolarHBondContact O-N 2.87Å; V460-Q464 WeakPolarHBondContact O-CB 3.38Å; V460-Q464 PolarHBondContact O-N 2.87Å; V460-C495 HydrophobicContact CG2-CB 3.8Å; V460-E499 HydrophobicContact CG1-CB 4.16Å; V460-E499 HydrophobicContact CG2-CB 4.27Å; V460-L502 HydrophobicContact CB-CD2 4Å; V460-L502 HydrophobicContact CG1-CD2 3.91Å; V460-L502 HydrophobicContact CG1-CG 4.29Å
461	A	94.9	Very high	91.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-64.1	-48.6	178.8	0	0	0	0	0	112.7	I419 W453 E457 A458 R463 Q464 L465 L502 V524	I419-A461 HydrophobicContact CD1-CB 4.32Å; W453-A461 HydrophobicContact CH2-CB 4.4Å; W453-A461 HydrophobicContact CZ2-CB 4.32Å; E457-A461 PolarHBondContact O-N 3.33Å; A458-A461 WeakPolarHBondContact O-CB 3.18Å; A458-A461 PolarHBondContact O-N 3.24Å; A458-A461 VanDerWaalsContact O-N 3.16Å; A461-R463 VanDerWaalsContact C-N 3.34Å; A461-R463 PolarHBondContact O-N 3.08Å; A461-Q464 PolarHBondContact O-N 3.27Å; A461-L465 WeakPolarHBondContact O-CG 3.4Å; A461-L465 PolarHBondContact O-N 2.96Å; A461-L502 HydrophobicContact CB-CD1 3.95Å; A461-L502 HydrophobicContact CB-CD2 4.3Å; A461-L502 HydrophobicContact CB-CG 4.29Å; A461-V524 HydrophobicContact CB-CG1 4.06Å
462	C	94.1	Very high	91.1	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-62	-42.1	177.6	-69.9	0	0	0	0	111.5	A458 L465 G466 L467 G468 A470 C526	A458-C462 WeakPolarHBondContact O-CB 3.49Å; A458-C462 PolarHBondContact O-N 3.43Å; A458-C462 PolarHBondContact O-SG 3.31Å; C462-L465 PolarHBondContact O-N 3.4Å; C462-G466 PolarHBondContact O-N 3.5Å; C462-L467 PolarHBondContact O-N 2.68Å; C462-G468 CarbonylContact C-O 3.43Å; C462-A470 HydrophobicContact CB-CB 4.37Å; C462-C526 VanDerWaalsContact CA-SG 3.53Å; C462-C526 HydrophobicContact CB-CB 3.76Å; C462-C526 WeakPolarHBondContact CB-SG 3.4Å; C462-C526 WeakPolarHBondContact SG-CA 3.47Å; C462-C526 WeakPolarHBondContact SG-CB 3.49Å; C462-C526 CovalentContact SG-SG 2.04Å; C462-C526 PolarHBondContact SG-SG 3.48Å
463	R	90.8	Very high	91.2	Very high	38 Å²	38	22.7 Å²	22.7	14%	0.143	12%	0.122	C	C	.	.	H	α-helix	trans	-61.9	-47.2	173.9	174.9	172.2	58	-138.1	-4.4	111.8	A315 R316 M459 V460 A461 L465 G466 G468 G497 S498 E499	A315-R463 WeakPolarHBondContact O-CD 3.47Å; A315-R463 WeakPolarHBondContact O-CG 3.45Å; R316-R463 HydrophobicContact CG-CG 4.44Å; M459-R463 WeakPolarHBondContact O-CB 3.29Å; M459-R463 PolarHBondContact O-N 1.99Å; V460-R463 PolarHBondContact O-N 2.87Å; A461-R463 VanDerWaalsContact C-N 3.34Å; A461-R463 PolarHBondContact O-N 3.08Å; R463-L465 VanDerWaalsContact C-N 3.28Å; R463-L465 PolarHBondContact O-N 2.81Å; R463-G466 PolarHBondContact O-N 3.47Å; R463-G468 PolarHBondContact N-O 3.24Å; R463-G497 PolarHBondContact NH1-O 2.79Å; R463-G497 PolarHBondContact NH2-O 3.49Å; R463-S498 VanDerWaalsContact NH2-C 3.29Å; R463-E499 VanDerWaalsContact CZ-O 3.29Å; R463-E499 PolarHBondContact NE-O 3.42Å; R463-E499 PolarHBondContact NH2-O 3.15Å
464	Q	92.6	Very high	91.1	Very high	11 Å²	11	23.9 Å²	23.9	5%	0.051	13%	0.129	C	C	.	.	H	α-helix	trans	-61.1	-36.8	-178.9	177.8	178.4	-4.1	0	0	112.1	L415 E416 S418 I419 V460 A461 G466 A501	L415-Q464 HydrophobicContact CB-CG 4.3Å; L415-Q464 PolarHBondContact O-NE2 3.2Å; E416-Q464 WeakPolarHBondContact CB-O 3.32Å; S418-Q464 PolarHBondContact OG-NE2 3.37Å; I419-Q464 HydrophobicContact CD1-CB 3.96Å; I419-Q464 VanDerWaalsContact CD1-CD 3.44Å; I419-Q464 HydrophobicContact CD1-CG 3.8Å; I419-Q464 HydrophobicContact CG1-CG 4.01Å; V460-Q464 WeakPolarHBondContact O-CB 3.38Å; V460-Q464 PolarHBondContact O-N 2.87Å; A461-Q464 PolarHBondContact O-N 3.27Å; Q464-G466 PolarHBondContact O-N 3.46Å; Q464-A501 HydrophobicContact CG-CB 4.29Å
465	L	91.1	Very high	91.2	Very high	40 Å²	40	26.1 Å²	26.1	21%	0.209	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-6.8	174.4	-70.3	167.1	0	0	0	113.6	I419 I421 A461 C462 R463 L467	I419-L465 HydrophobicContact CD1-CD1 4.17Å; I419-L465 HydrophobicContact CD1-CD2 4.21Å; I419-L465 HydrophobicContact CD1-CG 3.78Å; I419-L465 HydrophobicContact CG1-CD2 3.83Å; I419-L465 HydrophobicContact CG1-CG 3.99Å; I419-L465 WeakPolarHBondContact O-CD2 3.4Å; I421-L465 HydrophobicContact CG1-CD1 4.29Å; I421-L465 HydrophobicContact CG2-CD1 3.74Å; A461-L465 WeakPolarHBondContact O-CG 3.4Å; A461-L465 PolarHBondContact O-N 2.96Å; C462-L465 PolarHBondContact O-N 3.4Å; R463-L465 VanDerWaalsContact C-N 3.28Å; R463-L465 PolarHBondContact O-N 2.81Å; L465-L467 VanDerWaalsContact C-N 3.3Å; L465-L467 HydrophobicContact CB-CD1 3.81Å; L465-L467 HydrophobicContact CB-CG 3.81Å; L465-L467 HydrophobicContact CD1-CD1 3.99Å; L465-L467 PolarHBondContact O-N 3.17Å
466	G	88.4	Confident	91.2	Very high	26 Å²	26	29.8 Å²	29.8	27%	0.268	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	70	24.8	-174.2	0	0	0	0	0	113.7	R316 C462 R463 Q464	R316-G466 VanDerWaalsContact NH2-C 3.31Å; R316-G466 PolarHBondContact NH2-O 3.01Å; C462-G466 PolarHBondContact O-N 3.5Å; R463-G466 PolarHBondContact O-N 3.47Å; Q464-G466 PolarHBondContact O-N 3.46Å
467	L	89.6	Confident	91.1	Very high	27 Å²	27	26.1 Å²	26.1	14%	0.141	14%	0.138	C	C	.	.			trans	-94.8	7.7	-178	-62.4	175	0	0	0	113.9	I421 F428 C462 L465 C526	I421-L467 HydrophobicContact CD1-CD1 3.56Å; F428-L467 HydrophobicContact CD1-CB 4.1Å; F428-L467 HydrophobicContact CD1-CD2 4.07Å; F428-L467 HydrophobicContact CE1-CB 4.37Å; F428-L467 HydrophobicContact CE1-CD2 4.09Å; C462-L467 PolarHBondContact O-N 2.68Å; L465-L467 VanDerWaalsContact C-N 3.3Å; L465-L467 HydrophobicContact CB-CD1 3.81Å; L465-L467 HydrophobicContact CB-CG 3.81Å; L465-L467 HydrophobicContact CD1-CD1 3.99Å; L465-L467 PolarHBondContact O-N 3.17Å; L467-C526 HydrophobicContact CB-CB 3.7Å; L467-C526 HydrophobicContact CD1-CB 4.46Å
468	G	89.3	Confident	90.6	Very high	10 Å²	10	34.1 Å²	34.1	10%	0.103	17%	0.168	C	C	.	.			trans	95	-137.5	177.8	0	0	0	0	0	112.4	C462 R463 S527	C462-G468 CarbonylContact C-O 3.43Å; R463-G468 PolarHBondContact N-O 3.24Å; G468-S527 CarbonylContact C-O 3.55Å
469	Y	90.9	Very high	90	Very high	7 Å²	7	38.8 Å²	38.8	3%	0.027	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	162	175.9	-47.9	-91.4	0	0	0	110	G313 A315 M459 C526 S527 E528 A530	G313-Y469 WeakPolarHBondContact O-CE1 3.29Å; G313-Y469 PolarHBondContact O-OH 3.37Å; A315-Y469 VanDerWaalsContact CA-CE1 3.42Å; A315-Y469 HydrophobicContact CB-CD1 3.91Å; A315-Y469 HydrophobicContact CB-CD2 3.96Å; A315-Y469 HydrophobicContact CB-CE1 3.67Å; A315-Y469 HydrophobicContact CB-CE2 3.69Å; A315-Y469 HydrophobicContact CB-CG 4.04Å; A315-Y469 VanDerWaalsContact N-CE1 3.34Å; A315-Y469 VanDerWaalsContact N-CZ 3.33Å; A315-Y469 PolarHBondContact N-OH 3.23Å; A315-Y469 VanDerWaalsContact N-OH 3.09Å; M459-Y469 HydrophobicContact CE-CD1 3.88Å; Y469-C526 CarbonylContact O-C 3.5Å; Y469-C526 VanDerWaalsContact O-CA 3.25Å; Y469-C526 WeakPolarHBondContact O-CA 3.43Å; Y469-S527 PolarHBondContact N-O 3.47Å; Y469-S527 PolarHBondContact O-N 2.85Å; Y469-E528 VanDerWaalsContact CE2-O 3.31Å; Y469-E528 WeakPolarHBondContact CE2-O 3.27Å; Y469-A530 HydrophobicContact CD1-CB 4.04Å; Y469-A530 HydrophobicContact CD2-CB 4.07Å; Y469-A530 HydrophobicContact CG-CB 3.75Å
470	A	91.9	Very high	89.4	Confident	1 Å²	1	37.9 Å²	37.9	1%	0.008	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	130.4	164.3	0	0	0	0	0	109	A458 M459 C462 I525 A704	A458-A470 HydrophobicContact CB-CB 3.59Å; M459-A470 HydrophobicContact CB-CB 4.39Å; M459-A470 HydrophobicContact CG-CB 3.92Å; M459-A470 HydrophobicContact SD-CB 3.78Å; M459-A470 PolarHBondContact SD-N 3.44Å; C462-A470 HydrophobicContact CB-CB 4.37Å; A470-I525 CarbonylContact C-O 3.53Å; A470-A704 WeakPolarHBondContact O-CB 3.41Å
471	N	89.3	Confident	88	Confident	80 Å²	80	45.2 Å²	45.2	43%	0.428	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	-42.1	166.4	-171.9	22.1	0	0	0	110.3	I525 A704	N471-I525 HydrophobicContact CB-CG2 4.28Å; N471-I525 WeakPolarHBondContact CB-O 3.48Å; N471-I525 PolarHBondContact N-O 2.79Å; N471-A704 WeakPolarHBondContact O-CB 3.37Å
472	Q	88.9	Confident	86.5	Confident	55 Å²	55	48.9 Å²	48.9	26%	0.257	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	142.3	-179.7	-64.2	-172.2	-13.5	0	0	112.6	I525	Q472-I525 HydrophobicContact CB-CB 4.33Å; Q472-I525 HydrophobicContact CB-CD1 4.43Å; Q472-I525 PolarHBondContact N-O 3.29Å; Q472-I525 VanDerWaalsContact N-O 3.16Å; Q472-I525 PolarHBondContact O-N 3.44Å
473	G	90.4	Very high	85.3	Confident	10 Å²	10	50.2 Å²	50.2	10%	0.103	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	126.4	163.6	0	0	0	0	0	110.7
474	L	91.2	Very high	84.8	Confident	27 Å²	27	56.5 Å²	56.5	14%	0.141	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	130.1	-175	-62.7	159.3	0	0	0	110.4	W453 Y479 W480 A522 G523 I525	W453-L474 VanDerWaalsContact CD1-O 3.32Å; L474-Y479 WeakPolarHBondContact CD1-OH 3.36Å; L474-W480 HydrophobicContact CD1-CH2 3.17Å; L474-W480 HydrophobicContact CD1-CZ2 4.21Å; L474-W480 HydrophobicContact CD1-CZ3 3.48Å; L474-W480 VanDerWaalsContact CD1-CZ3 3.48Å; L474-A522 WeakPolarHBondContact O-CA 3.49Å; L474-G523 PolarHBondContact N-O 2.68Å; L474-G523 PolarHBondContact O-N 3.5Å; L474-I525 HydrophobicContact CD1-CD1 4.02Å; L474-I525 HydrophobicContact CD1-CG1 3.84Å
475	Q	91.5	Very high	84.4	Confident	100 Å²	100	57.1 Å²	57.1	47%	0.467	30%	0.297	S	S	.	.	S	Bend	trans	-87.8	-19.1	179.1	-59.5	-174.3	-11	0	0	112.5	G450 W453 F520	G450-Q475 WeakPolarHBondContact O-CB 3.42Å; G450-Q475 VanDerWaalsContact O-CG 3.28Å; G450-Q475 WeakPolarHBondContact O-CG 3.19Å; W453-Q475 HydrophobicContact CB-CG 4.41Å; W453-Q475 WeakPolarHBondContact O-CG 3.37Å; W453-Q475 PolarHBondContact O-NE2 2.94Å; Q475-F520 CarbonylContact O-C 3.46Å
476	E	89.3	Confident	84.1	Confident	84 Å²	84	59.9 Å²	59.9	39%	0.393	32%	0.315	S	S	.	.			trans	-133.8	136.9	179.8	-52.7	-166.8	167.5	0	0	110.4	K519 F520	E476-K519 CarbonylContact C-O 3.59Å; E476-K519 WeakPolarHBondContact CA-O 3.41Å; E476-F520 HydrophobicContact CG-CD1 3.98Å; E476-F520 WeakPolarHBondContact OE1-CD1 3.44Å; E476-F520 WeakPolarHBondContact OE1-CE1 3.08Å
477	T	88.3	Confident	84.1	Confident	1 Å²	1	64.4 Å²	64.4	1%	0.006	33%	0.33	C	S	.	.			trans	-133	25.1	-170.8	52	0	0	0	0	112.4	R431 Y479 W480 K519 S521	R431-T477 HydrophobicContact CB-CG2 4.38Å; T477-Y479 PolarHBondContact O-N 2.75Å; T477-W480 HydrophobicContact CG2-CE3 3.59Å; T477-W480 HydrophobicContact CG2-CZ3 3.7Å; T477-W480 PolarHBondContact O-N 3.39Å; T477-K519 PolarHBondContact N-O 3.16Å; T477-S521 WeakPolarHBondContact CG2-O 3.45Å; T477-S521 PolarHBondContact OG1-O 2.74Å; T477-S521 PolarHBondContact OG1-OG 2.04Å
478	W	82.3	Confident	84.1	Confident	172 Å²	172	64 Å²	64	65%	0.652	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-24.5	-177.8	63.5	-97.1	0	0	0	114.6	K519	W478-K519 HydrophobicContact CB-CB 3.79Å
479	Y	80.7	Confident	84.3	Confident	98 Å²	98	65.1 Å²	65.1	38%	0.384	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-4.9	-179	50.4	-90.1	0	0	0	113.8	L474 T477	L474-Y479 WeakPolarHBondContact CD1-OH 3.36Å; T477-Y479 PolarHBondContact O-N 2.75Å
480	W	79.5	Confident	84.3	Confident	9 Å²	9	65.7 Å²	65.7	3%	0.034	34%	0.335	C	S	.	.			trans	-105.1	74.7	173	-68.7	-38.5	0	0	0	110.2	E429 G430 R431 L474 T477 S482 I525	E429-W480 HydrophobicContact CB-CH2 4.28Å; E429-W480 HydrophobicContact CB-CZ2 3.9Å; E429-W480 HydrophobicContact CG-CZ2 4.16Å; G430-W480 VanDerWaalsContact C-CE3 3.47Å; G430-W480 WeakPolarHBondContact O-CZ3 2.9Å; R431-W480 PolarHBondContact NH1-O 3.06Å; L474-W480 HydrophobicContact CD1-CH2 3.17Å; L474-W480 HydrophobicContact CD1-CZ2 4.21Å; L474-W480 HydrophobicContact CD1-CZ3 3.48Å; L474-W480 VanDerWaalsContact CD1-CZ3 3.48Å; T477-W480 HydrophobicContact CG2-CE3 3.59Å; T477-W480 HydrophobicContact CG2-CZ3 3.7Å; T477-W480 PolarHBondContact O-N 3.39Å; W480-S482 PolarHBondContact O-N 2.99Å; W480-I525 HydrophobicContact CH2-CG1 4.25Å
481	D	63	Low	84.4	Confident	153 Å²	153	65.7 Å²	65.7	82%	0.818	34%	0.335	S	S	*	.			trans	-95.2	96.3	-179	-164.6	13.5	0	0	0	110.7
482	S	62.5	Low	84.5	Confident	78 Å²	78	62.6 Å²	62.6	55%	0.545	32%	0.322	S	S	.	.			trans	-153.7	4	-178.8	86.9	0	0	0	0	116	G423 W480	G423-S482 WeakPolarHBondContact CA-OG 3.13Å; G423-S482 PolarHBondContact N-OG 3.49Å; W480-S482 PolarHBondContact O-N 2.99Å
483	S	69.2	Low	84.7	Confident	28 Å²	28	60.1 Å²	60.1	20%	0.196	31%	0.311	C	S	.	.			trans	-132.1	139.4	-173.9	-169.5	0	0	0	0	110.8	E433 V485	E433-S483 WeakPolarHBondContact OE1-CB 3.46Å; E433-S483 PolarHBondContact OE1-OG 2.69Å; S483-V485 PolarHBondContact O-N 2.86Å; S483-V485 WeakPolarHBondContact OG-CG2 3.34Å; S483-V485 PolarHBondContact OG-N 2.9Å
484	N	80.7	Confident	84.9	Confident	169 Å²	169	66.3 Å²	66.3	90%	0.904	34%	0.335	S	S	*	.			trans	-77.1	2.6	175.1	-66	-14.7	0	0	0	112.6	T486	N484-T486 PolarHBondContact O-N 2.84Å
485	V	84.4	Confident	84.9	Confident	24 Å²	24	65.3 Å²	65.3	15%	0.145	33%	0.33	C	S	.	.			trans	-80.4	116	-179.4	-179.8	0	0	0	0	109.5	W445 L447 S483	W445-V485 HydrophobicContact CB-CG2 3.92Å; W445-V485 WeakPolarHBondContact O-CG1 3.44Å; L447-V485 HydrophobicContact CD2-CB 4.31Å; L447-V485 HydrophobicContact CD2-CG1 3.72Å; L447-V485 HydrophobicContact CG-CG1 3.94Å; S483-V485 PolarHBondContact O-N 2.86Å; S483-V485 WeakPolarHBondContact OG-CG2 3.34Å; S483-V485 PolarHBondContact OG-N 2.9Å
486	T	84.8	Confident	84.7	Confident	98 Å²	98	65.4 Å²	65.4	60%	0.601	34%	0.338	S	S	*	.			trans	-119.7	-18.3	-179.7	56.9	0	0	0	0	113.9	N484	N484-T486 PolarHBondContact O-N 2.84Å
487	E	88.4	Confident	84.3	Confident	121 Å²	121	62.5 Å²	62.5	57%	0.565	33%	0.331	S	S	*	.			trans	-77.4	131	-173.2	-174.1	173.1	-174.7	0	0	111.6	G446 L447 V489	G446-E487 CarbonylContact C-O 3.31Å; G446-E487 WeakPolarHBondContact CA-O 2.85Å; L447-E487 WeakPolarHBondContact CB-O 2.94Å; L447-E487 PolarHBondContact N-O 3.25Å; E487-V489 HydrophobicContact CG-CG1 4.29Å
488	M	90.1	Very high	84	Confident	19 Å²	19	66.3 Å²	66.3	9%	0.094	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	121	173.3	-65.8	-73.1	-178.1	0	0	109.3	L447 V511 A516 A517	L447-M488 HydrophobicContact CB-CE 4.41Å; L447-M488 HydrophobicContact CB-SD 3.6Å; L447-M488 VanDerWaalsContact CB-SD 3.6Å; L447-M488 HydrophobicContact CD1-CE 4.41Å; M488-V511 HydrophobicContact CB-CG1 3.92Å; M488-A516 HydrophobicContact CG-CB 4.43Å; M488-A517 WeakPolarHBondContact CE-O 3.33Å
489	V	91.9	Very high	84.3	Confident	33 Å²	33	59.2 Å²	59.2	20%	0.2	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	-12.4	-177.5	-61.2	0	0	0	0	113	V434 L447 E487 V511	V434-V489 HydrophobicContact CG1-CG2 3.24Å; L447-V489 PolarHBondContact O-N 3.37Å; E487-V489 HydrophobicContact CG-CG1 4.29Å; V489-V511 VanDerWaalsContact O-CG2 3.28Å; V489-V511 WeakPolarHBondContact O-CG2 3.04Å
490	M	92.2	Very high	84.5	Confident	19 Å²	19	56.3 Å²	56.3	9%	0.094	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	139.6	179.5	-170.8	178.3	-73.1	0	0	111.1	V434 L447 I448 C449 V493 H507	V434-M490 HydrophobicContact CG2-CE 4.29Å; L447-M490 PolarHBondContact O-N 2.85Å; I448-M490 WeakPolarHBondContact CA-O 3.43Å; I448-M490 HydrophobicContact CG1-CB 4.18Å; I448-M490 HydrophobicContact CG1-SD 4.47Å; I448-M490 HydrophobicContact CG2-CB 4.5Å; C449-M490 PolarHBondContact N-O 2.71Å; M490-V493 HydrophobicContact CG-CG2 3.56Å; M490-V493 HydrophobicContact SD-CG2 3.56Å; M490-V493 VanDerWaalsContact SD-CG2 3.56Å; M490-H507 HydrophobicContact CG-CB 4.41Å
491	S	93.6	Very high	85.1	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.007	32%	0.32	C	S	.	.			trans	-149.3	162.7	175	82.4	0	0	0	0	113.3	V493 H508 N512	S491-V493 VanDerWaalsContact C-N 3.28Å; S491-V493 PolarHBondContact O-N 2.99Å; S491-H508 PolarHBondContact O-N 3.24Å; S491-H508 PolarHBondContact OG-ND1 3.46Å; S491-H508 VanDerWaalsContact OG-ND1 3.09Å; S491-N512 VanDerWaalsContact CB-O 3.24Å; S491-N512 WeakPolarHBondContact CB-O 3.46Å; S491-N512 PolarHBondContact OG-N 3.35Å; S491-N512 PolarHBondContact OG-O 3.36Å
492	G	91.6	Very high	86.5	Confident	16 Å²	16	48.6 Å²	48.6	17%	0.165	28%	0.281	C	S	.	.			trans	63.4	33.2	-179.8	0	0	0	0	0	113.2	K494	G492-K494 PolarHBondContact O-N 2.73Å
493	V	93.9	Very high	87.8	Confident	3 Å²	3	48.3 Å²	48.3	2%	0.018	28%	0.279	C	S	.	.			trans	-69.3	121.5	-179.6	-173.2	0	0	0	0	108.3	I448 W453 E457 M490 S491 L502 C505 Q506 H507	I448-V493 HydrophobicContact CG2-CG2 3.9Å; W453-V493 HydrophobicContact CZ3-CB 4.34Å; W453-V493 HydrophobicContact CZ3-CG1 4.34Å; E457-V493 HydrophobicContact CG-CB 4.33Å; E457-V493 HydrophobicContact CG-CG1 3.96Å; E457-V493 WeakPolarHBondContact CG-O 3.32Å; M490-V493 HydrophobicContact CG-CG2 3.56Å; M490-V493 HydrophobicContact SD-CG2 3.56Å; M490-V493 VanDerWaalsContact SD-CG2 3.56Å; S491-V493 VanDerWaalsContact C-N 3.28Å; S491-V493 PolarHBondContact O-N 2.99Å; V493-L502 HydrophobicContact CG1-CD2 4.43Å; V493-C505 HydrophobicContact CG1-CB 3.92Å; V493-Q506 CarbonylContact C-O 3.56Å; V493-Q506 WeakPolarHBondContact CA-O 3.25Å; V493-H507 HydrophobicContact CG2-CB 4.2Å
494	K	93.9	Very high	88.8	Confident	140 Å²	140	51.2 Å²	51.2	61%	0.609	29%	0.29	S	S	*	.	B	Isolated β-bridge	trans	-132.1	113.7	176.3	-168.4	171.3	-175	174.8	0	109.3	E457 G492 Q506	E457-K494 WeakPolarHBondContact OE1-CA 3.45Å; G492-K494 PolarHBondContact O-N 2.73Å; K494-Q506 PolarHBondContact N-O 3.02Å; K494-Q506 PolarHBondContact O-N 3.22Å; K494-Q506 VanDerWaalsContact O-N 3.08Å
495	C	91.3	Very high	89.4	Confident	6 Å²	6	43.5 Å²	43.5	4%	0.041	25%	0.248	C	C	.	.			trans	-103.6	148.8	-178.5	-60.6	0	0	0	0	110.7	E457 V460 G497 C505	E457-C495 HydrophobicContact CG-CB 4.21Å; E457-C495 PolarHBondContact OE1-N 3.43Å; V460-C495 HydrophobicContact CG2-CB 3.8Å; C495-G497 VanDerWaalsContact C-N 3.32Å; C495-C505 HydrophobicContact CB-CB 4.03Å; C495-C505 WeakPolarHBondContact CB-SG 3.47Å; C495-C505 WeakPolarHBondContact SG-CB 3.26Å; C495-C505 CovalentContact SG-SG 2.04Å; C495-C505 PolarHBondContact SG-SG 3.35Å
496	T	86.1	Confident	89.9	Confident	101 Å²	101	49.7 Å²	49.7	62%	0.62	28%	0.276	S	S	*	.			trans	-74.9	-27.3	164.9	62	0	0	0	0	111.2	S498 E499	T496-S498 PolarHBondContact OG1-N 3.16Å; T496-S498 PolarHBondContact OG1-OG 2.9Å; T496-E499 WeakPolarHBondContact CB-OE1 3.01Å; T496-E499 PolarHBondContact N-OE1 3.35Å; T496-E499 PolarHBondContact N-OE2 3.31Å; T496-E499 PolarHBondContact OG1-OE1 3.34Å; T496-E499 PolarHBondContact OG1-OE2 2.7Å; T496-E499 VanDerWaalsContact OG1-OE2 3.07Å
497	G	82.1	Confident	90.3	Very high	24 Å²	24	48.6 Å²	48.6	25%	0.247	26%	0.264	C	S	.	.	S	Bend	trans	103.2	-5.6	-175.9	0	0	0	0	0	113.3	R463 C495 E499	R463-G497 PolarHBondContact NH1-O 2.79Å; R463-G497 PolarHBondContact NH2-O 3.49Å; C495-G497 VanDerWaalsContact C-N 3.32Å; G497-E499 PolarHBondContact N-OE2 2.71Å
498	S	81.4	Confident	90.4	Very high	80 Å²	80	47.1 Å²	47.1	56%	0.559	26%	0.257	S	S	*	.			trans	-100.4	-8.1	-179.8	66.8	0	0	0	0	114.1	R463 T496	R463-S498 VanDerWaalsContact NH2-C 3.29Å; T496-S498 PolarHBondContact OG1-N 3.16Å; T496-S498 PolarHBondContact OG1-OG 2.9Å
499	E	87.9	Confident	90.2	Very high	23 Å²	23	56.4 Å²	56.4	11%	0.107	30%	0.297	C	S	.	.			trans	-68.3	142.6	-174.2	-62.9	85.3	174.4	0	0	113.4	V460 R463 T496 G497 A501 Q504	V460-E499 HydrophobicContact CG1-CB 4.16Å; V460-E499 HydrophobicContact CG2-CB 4.27Å; R463-E499 VanDerWaalsContact CZ-O 3.29Å; R463-E499 PolarHBondContact NE-O 3.42Å; R463-E499 PolarHBondContact NH2-O 3.15Å; T496-E499 WeakPolarHBondContact CB-OE1 3.01Å; T496-E499 PolarHBondContact N-OE1 3.35Å; T496-E499 PolarHBondContact N-OE2 3.31Å; T496-E499 PolarHBondContact OG1-OE1 3.34Å; T496-E499 PolarHBondContact OG1-OE2 2.7Å; T496-E499 VanDerWaalsContact OG1-OE2 3.07Å; G497-E499 PolarHBondContact N-OE2 2.71Å; E499-A501 VanDerWaalsContact C-N 3.32Å; E499-A501 PolarHBondContact O-N 2.97Å; E499-Q504 HydrophobicContact CB-CB 4.2Å; E499-Q504 HydrophobicContact CG-CB 4.28Å
500	M	86.1	Confident	90	Very high	37 Å²	37	60.1 Å²	60.1	18%	0.182	32%	0.32	C	S	.	.	S	Bend	trans	-75.8	-22.6	179	-67.9	-178.3	-74.6	0	0	113.6	F293 L317 L415	F293-M500 HydrophobicContact CD1-SD 4.35Å; F293-M500 HydrophobicContact CE1-SD 3.82Å; L317-M500 HydrophobicContact CD1-CG 3.26Å; L317-M500 HydrophobicContact CD1-SD 3.66Å; L317-M500 HydrophobicContact CG-CG 4.4Å; L415-M500 HydrophobicContact CD1-CB 3.72Å
501	A	91.1	Very high	89.8	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	33%	0.334	C	S	.	.	S	Bend	trans	-151.5	153.9	-178	0	0	0	0	0	110.9	L415 Q464 E499 S503 Q504	L415-A501 HydrophobicContact CB-CB 4.42Å; L415-A501 HydrophobicContact CD1-CB 4.22Å; L415-A501 HydrophobicContact CD2-CB 4.13Å; L415-A501 HydrophobicContact CG-CB 4.49Å; Q464-A501 HydrophobicContact CG-CB 4.29Å; E499-A501 VanDerWaalsContact C-N 3.32Å; E499-A501 PolarHBondContact O-N 2.97Å; A501-S503 PolarHBondContact O-N 2.89Å; A501-Q504 WeakPolarHBondContact O-CB 3.38Å; A501-Q504 PolarHBondContact O-N 3.32Å
502	L	93	Very high	89.6	Confident	1 Å²	1	67.6 Å²	67.6	1%	0.005	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-58.7	-31	177.9	-69.3	176.2	0	0	0	113	I419 V432 I448 W453 V460 A461 V493 Q504 C505	I419-L502 HydrophobicContact CD1-CD1 4.29Å; I419-L502 HydrophobicContact CG2-CD1 4.39Å; V432-L502 HydrophobicContact CG1-CD1 4.21Å; I448-L502 HydrophobicContact CD1-CD1 3.83Å; W453-L502 HydrophobicContact CH2-CD1 3.89Å; W453-L502 HydrophobicContact CH2-CD2 3.78Å; W453-L502 HydrophobicContact CZ3-CD2 4.2Å; V460-L502 HydrophobicContact CB-CD2 4Å; V460-L502 HydrophobicContact CG1-CD2 3.91Å; V460-L502 HydrophobicContact CG1-CG 4.29Å; A461-L502 HydrophobicContact CB-CD1 3.95Å; A461-L502 HydrophobicContact CB-CD2 4.3Å; A461-L502 HydrophobicContact CB-CG 4.29Å; V493-L502 HydrophobicContact CG1-CD2 4.43Å; L502-Q504 PolarHBondContact O-N 3.05Å; L502-C505 WeakPolarHBondContact O-CB 2.85Å; L502-C505 PolarHBondContact O-N 3.48Å; L502-C505 VanDerWaalsContact O-N 3.12Å
503	S	90.1	Very high	89.3	Confident	71 Å²	71	67.8 Å²	67.8	50%	0.497	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-66.3	-13.5	176.6	57.8	0	0	0	0	114.2	A501	A501-S503 PolarHBondContact O-N 2.89Å
504	Q	90.8	Very high	88.7	Confident	90 Å²	90	76.1 Å²	76.1	42%	0.421	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-93.8	-15.1	176.2	-61.3	171.3	4.3	0	0	112.4	E499 A501 L502	E499-Q504 HydrophobicContact CB-CB 4.2Å; E499-Q504 HydrophobicContact CG-CB 4.28Å; A501-Q504 WeakPolarHBondContact O-CB 3.38Å; A501-Q504 PolarHBondContact O-N 3.32Å; L502-Q504 PolarHBondContact O-N 3.05Å
505	C	92.6	Very high	88.1	Confident	6 Å²	6	74.5 Å²	74.5	4%	0.041	39%	0.392	C	S	.	.	S	Bend	trans	-69.8	158.2	174.9	-60.2	0	0	0	0	110.5	V493 C495 L502 H507	V493-C505 HydrophobicContact CG1-CB 3.92Å; C495-C505 HydrophobicContact CB-CB 4.03Å; C495-C505 WeakPolarHBondContact CB-SG 3.47Å; C495-C505 WeakPolarHBondContact SG-CB 3.26Å; C495-C505 CovalentContact SG-SG 2.04Å; C495-C505 PolarHBondContact SG-SG 3.35Å; L502-C505 WeakPolarHBondContact O-CB 2.85Å; L502-C505 PolarHBondContact O-N 3.48Å; L502-C505 VanDerWaalsContact O-N 3.12Å; C505-H507 PolarHBondContact O-CD2 3.44Å; C505-H507 VanDerWaalsContact O-CD2 3.32Å; C505-H507 PolarHBondContact O-N 3.45Å
506	Q	93.9	Very high	87.4	Confident	155 Å²	155	76.9 Å²	76.9	72%	0.724	41%	0.412	S	S	*	.	B	Isolated β-bridge	trans	-66.5	126	172.7	-176.6	178.4	-1.5	0	0	108.7	V493 K494	V493-Q506 CarbonylContact C-O 3.56Å; V493-Q506 WeakPolarHBondContact CA-O 3.25Å; K494-Q506 PolarHBondContact N-O 3.02Å; K494-Q506 PolarHBondContact O-N 3.22Å; K494-Q506 VanDerWaalsContact O-N 3.08Å
507	H	93.3	Very high	87.3	Confident	74 Å²	74	74.3 Å²	74.3	34%	0.343	40%	0.401	S	S	.	.			trans	-144.7	163.3	176.1	67.4	81.8	0	0	0	110.9	M490 V493 C505	M490-H507 HydrophobicContact CG-CB 4.41Å; V493-H507 HydrophobicContact CG2-CB 4.2Å; C505-H507 PolarHBondContact O-CD2 3.44Å; C505-H507 VanDerWaalsContact O-CD2 3.32Å; C505-H507 PolarHBondContact O-N 3.45Å
508	H	91.9	Very high	87.2	Confident	91 Å²	91	74.6 Å²	74.6	42%	0.421	40%	0.401	S	S	.	.			trans	-66.9	143.8	177.1	-60.7	143.3	0	0	0	111.3	S491 T510	S491-H508 PolarHBondContact O-N 3.24Å; S491-H508 PolarHBondContact OG-ND1 3.46Å; S491-H508 VanDerWaalsContact OG-ND1 3.09Å; H508-T510 VanDerWaalsContact C-N 3.33Å; H508-T510 VanDerWaalsContact CB-O 3.31Å; H508-T510 WeakPolarHBondContact CB-O 3.49Å
509	K	86.2	Confident	87.3	Confident	214 Å²	214	76 Å²	76	93%	0.93	40%	0.398	S	S	*	.	S	Bend	trans	-71	-31.2	175.3	-66.7	-175.5	-179.8	179.8	0	112.6
510	T	86.4	Confident	87.3	Confident	111 Å²	111	76.7 Å²	76.7	68%	0.681	40%	0.4	S	S	*	.	S	Bend	trans	-124.3	136.3	175.9	51.8	0	0	0	0	107.9	H508 N512	H508-T510 VanDerWaalsContact C-N 3.33Å; H508-T510 VanDerWaalsContact CB-O 3.31Å; H508-T510 WeakPolarHBondContact CB-O 3.49Å; T510-N512 PolarHBondContact O-N 3.27Å; T510-N512 VanDerWaalsContact O-N 3.16Å
511	V	87.5	Confident	87.5	Confident	67 Å²	67	74.9 Å²	74.9	41%	0.406	39%	0.391	S	S	.	.			trans	-63	119.3	-177.7	-177.4	0	0	0	0	109.7	M488 V489	M488-V511 HydrophobicContact CB-CG1 3.92Å; V489-V511 VanDerWaalsContact O-CG2 3.28Å; V489-V511 WeakPolarHBondContact O-CG2 3.04Å
512	N	89.4	Confident	87.7	Confident	109 Å²	109	74.9 Å²	74.9	58%	0.583	39%	0.391	S	S	*	.			trans	-126.1	114	170.3	-175.2	12.2	0	0	0	108	S491 T510	S491-N512 VanDerWaalsContact CB-O 3.24Å; S491-N512 WeakPolarHBondContact CB-O 3.46Å; S491-N512 PolarHBondContact OG-N 3.35Å; S491-N512 PolarHBondContact OG-O 3.36Å; T510-N512 PolarHBondContact O-N 3.27Å; T510-N512 VanDerWaalsContact O-N 3.16Å
513	C	86.3	Confident	87.8	Confident	20 Å²	20	74.9 Å²	74.9	14%	0.135	39%	0.391	C	S	.	.			trans	-145.1	118.9	-178.2	-167.2	0	0	0	0	107.1	C449 K515	C449-C513 HydrophobicContact CB-CB 3.75Å; C449-C513 WeakPolarHBondContact CB-SG 3.21Å; C449-C513 WeakPolarHBondContact SG-CB 3.5Å; C449-C513 CovalentContact SG-SG 2.04Å; C449-C513 PolarHBondContact SG-SG 2.78Å; C513-K515 VanDerWaalsContact C-N 3.27Å; C513-K515 PolarHBondContact O-N 3.37Å; C513-K515 PolarHBondContact SG-O 3.19Å
514	Q	82.3	Confident	88	Confident	178 Å²	178	71.5 Å²	71.5	83%	0.832	37%	0.367	S	S	*	.	S	Bend	trans	-68.2	-36.3	-179.3	-55.2	-174.3	-25	0	0	110.2	E451	E451-Q514 WeakPolarHBondContact OE1-CA 3.39Å; E451-Q514 VanDerWaalsContact OE1-CB 3.26Å; E451-Q514 WeakPolarHBondContact OE1-CB 3.33Å; E451-Q514 PolarHBondContact OE1-N 3.1Å
515	K	79.7	Confident	88.1	Confident	106 Å²	106	68.8 Å²	68.8	46%	0.461	36%	0.356	S	S	.	.	S	Bend	trans	-106.5	80.3	176.2	-67	-177.1	-178.5	177.3	0	111.4	E451 C513 A517 F520	E451-K515 PolarHBondContact OE1-N 3.22Å; C513-K515 VanDerWaalsContact C-N 3.27Å; C513-K515 PolarHBondContact O-N 3.37Å; C513-K515 PolarHBondContact SG-O 3.19Å; K515-A517 PolarHBondContact O-N 2.98Å; K515-F520 HydrophobicContact CB-CB 4.07Å; K515-F520 HydrophobicContact CB-CD1 4.44Å; K515-F520 HydrophobicContact CB-CD2 3.59Å; K515-F520 HydrophobicContact CB-CE2 4.01Å; K515-F520 HydrophobicContact CB-CG 3.8Å; K515-F520 HydrophobicContact CD-CD1 3.92Å; K515-F520 HydrophobicContact CD-CD2 4.25Å; K515-F520 HydrophobicContact CD-CE1 3.85Å; K515-F520 HydrophobicContact CD-CE2 4.13Å; K515-F520 HydrophobicContact CD-CG 4.13Å; K515-F520 HydrophobicContact CD-CZ 3.93Å; K515-F520 HydrophobicContact CG-CD2 4.32Å; K515-F520 HydrophobicContact CG-CE2 4.27Å; K515-F520 WeakPolarHBondContact O-CB 3.22Å
516	A	78	Confident	88.1	Confident	56 Å²	56	68.9 Å²	68.9	46%	0.463	36%	0.356	S	S	.	.			trans	-84.4	4	-175	0	0	0	0	0	116	M488	M488-A516 HydrophobicContact CG-CB 4.43Å
517	A	82.5	Confident	88	Confident	47 Å²	47	63.1 Å²	63.1	39%	0.388	33%	0.333	S	S	.	.	S	Bend	trans	-70.8	145.9	178.4	0	0	0	0	0	111.2	M488 K515 K519 F520	M488-A517 WeakPolarHBondContact CE-O 3.33Å; K515-A517 PolarHBondContact O-N 2.98Å; A517-K519 HydrophobicContact CB-CG 3.98Å; A517-K519 PolarHBondContact O-N 2.89Å; A517-F520 HydrophobicContact CB-CD2 3.93Å; A517-F520 HydrophobicContact CB-CE2 4.27Å; A517-F520 PolarHBondContact O-N 2.8Å
518	A	80.1	Confident	87.6	Confident	30 Å²	30	64.4 Å²	64.4	25%	0.248	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-53	-29.6	-177.3	0	0	0	0	0	114.1	L447 F520 S521	L447-A518 HydrophobicContact CD1-CB 3.79Å; A518-F520 PolarHBondContact O-N 3.29Å; A518-S521 VanDerWaalsContact O-CB 3.31Å; A518-S521 WeakPolarHBondContact O-CB 3.2Å; A518-S521 PolarHBondContact O-N 2.98Å; A518-S521 PolarHBondContact O-OG 2.85Å
519	K	83.2	Confident	87.3	Confident	111 Å²	111	62.2 Å²	62.2	48%	0.483	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-63.4	-22.8	176	61.2	176.2	-177.4	177.5	0	115.4	E476 T477 W478 A517 S521	E476-K519 CarbonylContact C-O 3.59Å; E476-K519 WeakPolarHBondContact CA-O 3.41Å; T477-K519 PolarHBondContact N-O 3.16Å; W478-K519 HydrophobicContact CB-CB 3.79Å; A517-K519 HydrophobicContact CB-CG 3.98Å; A517-K519 PolarHBondContact O-N 2.89Å; K519-S521 VanDerWaalsContact C-N 3.34Å
520	F	88.4	Confident	87.5	Confident	36 Å²	36	52.3 Å²	52.3	16%	0.158	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-99.8	20.3	178.1	-57.3	-67.7	0	0	0	112	G450 Q475 E476 K515 A517 A518	G450-F520 WeakPolarHBondContact CA-O 3.45Å; G450-F520 PolarHBondContact N-O 2.91Å; Q475-F520 CarbonylContact O-C 3.46Å; E476-F520 HydrophobicContact CG-CD1 3.98Å; E476-F520 WeakPolarHBondContact OE1-CD1 3.44Å; E476-F520 WeakPolarHBondContact OE1-CE1 3.08Å; K515-F520 HydrophobicContact CB-CB 4.07Å; K515-F520 HydrophobicContact CB-CD1 4.44Å; K515-F520 HydrophobicContact CB-CD2 3.59Å; K515-F520 HydrophobicContact CB-CE2 4.01Å; K515-F520 HydrophobicContact CB-CG 3.8Å; K515-F520 HydrophobicContact CD-CD1 3.92Å; K515-F520 HydrophobicContact CD-CD2 4.25Å; K515-F520 HydrophobicContact CD-CE1 3.85Å; K515-F520 HydrophobicContact CD-CE2 4.13Å; K515-F520 HydrophobicContact CD-CG 4.13Å; K515-F520 HydrophobicContact CD-CZ 3.93Å; K515-F520 HydrophobicContact CG-CD2 4.32Å; K515-F520 HydrophobicContact CG-CE2 4.27Å; K515-F520 WeakPolarHBondContact O-CB 3.22Å; A517-F520 HydrophobicContact CB-CD2 3.93Å; A517-F520 HydrophobicContact CB-CE2 4.27Å; A517-F520 PolarHBondContact O-N 2.8Å; A518-F520 PolarHBondContact O-N 3.29Å
521	S	91.4	Very high	87.8	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-80.6	150.5	174.3	59.4	0	0	0	0	111.1	R431 I448 T477 A518 K519	R431-S521 WeakPolarHBondContact CD-OG 3.42Å; R431-S521 WeakPolarHBondContact CG-OG 3.45Å; I448-S521 CarbonylContact O-C 3.44Å; I448-S521 WeakPolarHBondContact O-CA 3.29Å; T477-S521 WeakPolarHBondContact CG2-O 3.45Å; T477-S521 PolarHBondContact OG1-O 2.74Å; T477-S521 PolarHBondContact OG1-OG 2.04Å; A518-S521 VanDerWaalsContact O-CB 3.31Å; A518-S521 WeakPolarHBondContact O-CB 3.2Å; A518-S521 PolarHBondContact O-N 2.98Å; A518-S521 PolarHBondContact O-OG 2.85Å; K519-S521 VanDerWaalsContact C-N 3.34Å
522	A	94.5	Very high	88.1	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.24	C	C	.	.			trans	-65.5	141.4	179.9	0	0	0	0	0	112.5	V432 I448 W453 L474	V432-A522 PolarHBondContact N-O 3.29Å; I448-A522 HydrophobicContact CB-CB 4.08Å; I448-A522 HydrophobicContact CG2-CB 4.14Å; I448-A522 PolarHBondContact O-N 2.91Å; W453-A522 HydrophobicContact CB-CB 4.14Å; W453-A522 HydrophobicContact CD2-CB 3.46Å; W453-A522 VanDerWaalsContact CD2-CB 3.46Å; W453-A522 HydrophobicContact CE3-CB 3.75Å; W453-A522 HydrophobicContact CG-CB 3.64Å; W453-A522 HydrophobicContact CZ2-CB 4.35Å; W453-A522 HydrophobicContact CZ3-CB 4.3Å; L474-A522 WeakPolarHBondContact O-CA 3.49Å
523	G	94.4	Very high	88.4	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	163.6	175.7	0	0	0	0	0	112.1	G430 W453 L474	G430-G523 WeakPolarHBondContact O-CA 3.39Å; W453-G523 PolarHBondContact NE1-O 2.85Å; L474-G523 PolarHBondContact N-O 2.68Å; L474-G523 PolarHBondContact O-N 3.5Å
524	V	94.9	Very high	88.8	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	149	178.2	-62.5	0	0	0	0	110.9	I421 E429 G430 V432 W453 A458 A461	I421-V524 HydrophobicContact CG2-CG2 3.68Å; E429-V524 VanDerWaalsContact CA-O 3.28Å; E429-V524 WeakPolarHBondContact CA-O 3.19Å; G430-V524 PolarHBondContact N-O 2.7Å; G430-V524 PolarHBondContact O-N 2.8Å; V432-V524 HydrophobicContact CG2-CB 4.28Å; V432-V524 HydrophobicContact CG2-CG1 3.65Å; V432-V524 HydrophobicContact CG2-CG2 3.77Å; W453-V524 HydrophobicContact CZ2-CG1 3.74Å; A458-V524 HydrophobicContact CB-CB 4.4Å; A458-V524 HydrophobicContact CB-CG1 3.65Å; A461-V524 HydrophobicContact CB-CG1 4.06Å
525	I	93.4	Very high	89.4	Confident	34 Å²	34	29.7 Å²	29.7	17%	0.174	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	116.5	163.3	-56.6	178.7	0	0	0	105.9	E429 A470 N471 Q472 L474 W480	E429-I525 HydrophobicContact CB-CB 4.45Å; E429-I525 HydrophobicContact CB-CG1 4.04Å; E429-I525 HydrophobicContact CB-CG2 4.4Å; A470-I525 CarbonylContact C-O 3.53Å; N471-I525 HydrophobicContact CB-CG2 4.28Å; N471-I525 WeakPolarHBondContact CB-O 3.48Å; N471-I525 PolarHBondContact N-O 2.79Å; Q472-I525 HydrophobicContact CB-CB 4.33Å; Q472-I525 HydrophobicContact CB-CD1 4.43Å; Q472-I525 PolarHBondContact N-O 3.29Å; Q472-I525 VanDerWaalsContact N-O 3.16Å; Q472-I525 PolarHBondContact O-N 3.44Å; L474-I525 HydrophobicContact CD1-CD1 4.02Å; L474-I525 HydrophobicContact CD1-CG1 3.84Å; W480-I525 HydrophobicContact CH2-CG1 4.25Å
526	C	93.3	Very high	90.1	Very high	8 Å²	8	26.6 Å²	26.6	5%	0.054	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	158.6	-178.3	-51.8	0	0	0	0	111.3	F428 C462 L467 Y469	F428-C526 HydrophobicContact CB-CB 4.43Å; F428-C526 HydrophobicContact CD1-CB 4.22Å; F428-C526 WeakPolarHBondContact O-CB 3.3Å; F428-C526 PolarHBondContact O-N 2.6Å; C462-C526 VanDerWaalsContact CA-SG 3.53Å; C462-C526 HydrophobicContact CB-CB 3.76Å; C462-C526 WeakPolarHBondContact CB-SG 3.4Å; C462-C526 WeakPolarHBondContact SG-CA 3.47Å; C462-C526 WeakPolarHBondContact SG-CB 3.49Å; C462-C526 CovalentContact SG-SG 2.04Å; C462-C526 PolarHBondContact SG-SG 3.48Å; L467-C526 HydrophobicContact CB-CB 3.7Å; L467-C526 HydrophobicContact CD1-CB 4.46Å; Y469-C526 CarbonylContact O-C 3.5Å; Y469-C526 VanDerWaalsContact O-CA 3.25Å; Y469-C526 WeakPolarHBondContact O-CA 3.43Å
527	S	89.9	Confident	90.8	Very high	33 Å²	33	24.4 Å²	24.4	23%	0.231	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	146.9	178.3	177.1	0	0	0	0	109.9	G468 Y469 T529	G468-S527 CarbonylContact C-O 3.55Å; Y469-S527 PolarHBondContact N-O 3.47Å; Y469-S527 PolarHBondContact O-N 2.85Å; S527-T529 WeakPolarHBondContact CB-O 3.47Å; S527-T529 PolarHBondContact O-N 2.81Å; S527-T529 PolarHBondContact OG-N 2.95Å; S527-T529 PolarHBondContact OG-O 3.24Å
528	E	84.9	Confident	91.3	Very high	101 Å²	101	25.1 Å²	25.1	47%	0.472	14%	0.141	S	C	.	.	S	Bend	trans	-75.8	-13.3	175.7	-65.1	-174.3	170.2	0	0	113	F428 Y469	F428-E528 HydrophobicContact CE1-CG 4.02Å; F428-E528 HydrophobicContact CZ-CG 4.13Å; Y469-E528 VanDerWaalsContact CE2-O 3.31Å; Y469-E528 WeakPolarHBondContact CE2-O 3.27Å
529	T	85.9	Confident	91.9	Very high	45 Å²	45	25.4 Å²	25.4	28%	0.276	14%	0.138	S	C	.	.			trans	-134.6	151.7	-179.1	53.7	0	0	0	0	111.1	S527 R591	S527-T529 WeakPolarHBondContact CB-O 3.47Å; S527-T529 PolarHBondContact O-N 2.81Å; S527-T529 PolarHBondContact OG-N 2.95Å; S527-T529 PolarHBondContact OG-O 3.24Å; T529-R591 HydrophobicContact CG2-CB 3.95Å
530	A	90.7	Very high	92.5	Very high	7 Å²	7	20.1 Å²	20.1	6%	0.058	12%	0.115	C	C	.	.			trans	-140.8	157.5	174	0	0	0	0	0	110.3	Y469 R591 A592	Y469-A530 HydrophobicContact CD1-CB 4.04Å; Y469-A530 HydrophobicContact CD2-CB 4.07Å; Y469-A530 HydrophobicContact CG-CB 3.75Å; A530-R591 PolarHBondContact O-N 2.65Å; A530-A592 PolarHBondContact O-N 3.45Å
531	S	93.1	Very high	92.7	Very high	5 Å²	5	21.6 Å²	21.6	4%	0.035	12%	0.122	C	C	.	.	B	Isolated β-bridge	trans	-72.5	165.8	169.4	42.4	0	0	0	0	111.4	A592 F594 A704 E705 S706	S531-A592 WeakPolarHBondContact CA-O 3.19Å; S531-A592 WeakPolarHBondContact CB-O 2.91Å; S531-F594 WeakPolarHBondContact OG-CD2 3.47Å; S531-A704 PolarHBondContact OG-O 2.81Å; S531-A704 VanDerWaalsContact OG-O 3.08Å; S531-E705 CarbonylContact O-C 3.57Å; S531-E705 WeakPolarHBondContact O-CA 3.45Å; S531-E705 WeakPolarHBondContact O-CB 3.06Å; S531-S706 PolarHBondContact O-N 3.03Å; S531-S706 PolarHBondContact O-OG 2.87Å
532	D	94.7	Very high	92.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.155	C	C	.	.			trans	-148.6	108.3	176.3	-167.9	-18.4	0	0	0	107.7	N588 V589 G590 S706 N710	D532-N588 PolarHBondContact N-OD1 3.14Å; D532-N588 CarbonylContact O-C 3.55Å; D532-N588 WeakPolarHBondContact O-CA 2.96Å; D532-N588 PolarHBondContact O-OD1 3.34Å; D532-V589 HydrophobicContact CB-CG2 3.8Å; D532-V589 WeakPolarHBondContact O-CG2 3.27Å; D532-V589 PolarHBondContact O-N 3.24Å; D532-G590 VanDerWaalsContact CB-CA 3.45Å; D532-S706 WeakPolarHBondContact CB-OG 3.28Å; D532-S706 PolarHBondContact OD2-OG 3.39Å; D532-N710 PolarHBondContact OD1-ND2 2.86Å; D532-N710 PolarHBondContact OD1-OD1 3.49Å
533	L	94.7	Very high	92.9	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	128.5	-173.5	-61.4	-171.8	0	0	0	111.8	I586 H587 N588 F594 F618 I664 I697 E705	L533-I586 HydrophobicContact CB-CG2 3.95Å; L533-I586 HydrophobicContact CD1-CG2 4.2Å; L533-I586 HydrophobicContact CD2-CG2 4.15Å; L533-I586 HydrophobicContact CG-CG2 4.34Å; L533-H587 VanDerWaalsContact CA-O 3.29Å; L533-H587 WeakPolarHBondContact CA-O 3.5Å; L533-N588 HydrophobicContact CD2-CB 4Å; L533-F594 HydrophobicContact CD1-CD1 4.12Å; L533-F594 HydrophobicContact CD1-CD2 3.45Å; L533-F594 VanDerWaalsContact CD1-CD2 3.45Å; L533-F594 HydrophobicContact CD1-CE1 4.08Å; L533-F594 HydrophobicContact CD1-CE2 3.37Å; L533-F594 HydrophobicContact CD1-CG 3.83Å; L533-F594 HydrophobicContact CD1-CZ 3.71Å; L533-F594 HydrophobicContact CD2-CB 3.9Å; L533-F594 HydrophobicContact CD2-CD2 3.98Å; L533-F594 HydrophobicContact CD2-CG 3.96Å; L533-F594 HydrophobicContact CG-CD2 3.68Å; L533-F594 HydrophobicContact CG-CE2 4.03Å; L533-F594 HydrophobicContact CG-CG 4.14Å; L533-F618 HydrophobicContact CD1-CE2 3.74Å; L533-F618 HydrophobicContact CD1-CZ 3.77Å; L533-I664 HydrophobicContact CD2-CD1 4.26Å; L533-I697 HydrophobicContact CB-CG2 4Å; L533-I697 HydrophobicContact CD1-CG2 3.74Å; L533-E705 WeakPolarHBondContact CA-OE2 3.33Å; L533-E705 WeakPolarHBondContact CB-OE2 3.37Å; L533-E705 WeakPolarHBondContact CG-OE2 3.4Å; L533-E705 PolarHBondContact N-OE2 2.84Å
534	V	95.1	Very high	93	Very high	4 Å²	4	31.2 Å²	31.2	2%	0.024	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	133.5	-177.7	-166.4	0	0	0	0	111.3	M368 H587 V589 N710 I731	M368-V534 HydrophobicContact CE-CB 4.23Å; M368-V534 HydrophobicContact CE-CG1 3.34Å; V534-H587 PolarHBondContact N-O 3.38Å; V534-H587 PolarHBondContact O-N 2.78Å; V534-V589 HydrophobicContact CG2-CG2 3.58Å; V534-N710 HydrophobicContact CG2-CB 4.3Å; V534-N710 WeakPolarHBondContact CG2-ND2 3.26Å; V534-I731 HydrophobicContact CG1-CD1 3.33Å; V534-I731 HydrophobicContact CG1-CG1 4.17Å
535	L	94.6	Very high	93	Very high	1 Å²	1	35 Å²	35	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	133.5	177.9	-165	71.7	0	0	0	111.2	M368 A537 V540 I586 V695 I697 M713	M368-L535 WeakPolarHBondContact CE-O 3.09Å; L535-A537 PolarHBondContact O-N 3.2Å; L535-V540 HydrophobicContact CD2-CG2 3.94Å; L535-V540 HydrophobicContact CG-CG2 4.36Å; L535-I586 HydrophobicContact CD1-CD1 4.36Å; L535-I586 HydrophobicContact CD1-CG1 4.02Å; L535-V695 HydrophobicContact CD2-CB 3.78Å; L535-V695 HydrophobicContact CD2-CG1 3.68Å; L535-V695 HydrophobicContact CD2-CG2 4.36Å; L535-I697 HydrophobicContact CB-CD1 3.65Å; L535-I697 HydrophobicContact CD1-CD1 4.16Å; L535-I697 HydrophobicContact CG-CD1 4.48Å; L535-M713 HydrophobicContact CB-CB 4.35Å; L535-M713 HydrophobicContact CD2-CB 3.66Å; L535-M713 HydrophobicContact CD2-CE 3.74Å; L535-M713 HydrophobicContact CD2-CG 4Å
536	N	94.4	Very high	93.1	Very high	41 Å²	41	35.3 Å²	35.3	22%	0.219	19%	0.187	C	C	.	.			trans	-71.9	94.5	168.4	-171.8	-20.9	0	0	0	110.9	S538 L539 V540 Q585	N536-S538 VanDerWaalsContact C-N 3.3Å; N536-S538 PolarHBondContact O-N 2.98Å; N536-S538 PolarHBondContact OD1-N 2.65Å; N536-L539 HydrophobicContact CB-CB 4.19Å; N536-L539 PolarHBondContact O-N 2.83Å; N536-L539 PolarHBondContact OD1-N 3.15Å; N536-V540 PolarHBondContact O-N 2.63Å; N536-Q585 HydrophobicContact CB-CB 4.07Å; N536-Q585 HydrophobicContact CB-CG 4.48Å; N536-Q585 PolarHBondContact N-O 2.93Å; N536-Q585 PolarHBondContact ND2-OE1 2.81Å
537	A	93	Very high	93.1	Very high	10 Å²	10	37.7 Å²	37.7	8%	0.083	20%	0.198	C	C	.	.	H	α-helix	trans	-62.2	-34.1	-178.7	0	0	0	0	0	113.2	L535 V540 E541 M713 C729	L535-A537 PolarHBondContact O-N 3.2Å; A537-V540 PolarHBondContact O-N 3.45Å; A537-E541 PolarHBondContact O-N 2.82Å; A537-M713 HydrophobicContact CB-CG 3.66Å; A537-C729 HydrophobicContact CB-CB 4.17Å; A537-C729 WeakPolarHBondContact O-CB 3.34Å
538	S	92.1	Very high	93.4	Very high	62 Å²	62	40.1 Å²	40.1	43%	0.434	21%	0.208	S	C	.	.	H	α-helix	trans	-66.7	-39.8	-179.6	-166.6	0	0	0	0	111.7	N536 V540 E541 Q542	N536-S538 VanDerWaalsContact C-N 3.3Å; N536-S538 PolarHBondContact O-N 2.98Å; N536-S538 PolarHBondContact OD1-N 2.65Å; S538-V540 VanDerWaalsContact C-N 3.32Å; S538-V540 PolarHBondContact O-N 3.42Å; S538-E541 PolarHBondContact O-N 2.71Å; S538-Q542 VanDerWaalsContact O-CG 3.26Å; S538-Q542 WeakPolarHBondContact O-CG 3.26Å; S538-Q542 PolarHBondContact O-N 2.98Å; S538-Q542 PolarHBondContact OG-NE2 3.17Å
539	L	94.4	Very high	93.8	Very high	35 Å²	35	37.2 Å²	37.2	18%	0.183	19%	0.193	C	C	.	.	H	α-helix	trans	-63.9	-38.8	177.5	-176.3	67.8	0	0	0	111.9	N536 E541 Q542 T543 Q585 L671	N536-L539 HydrophobicContact CB-CB 4.19Å; N536-L539 PolarHBondContact O-N 2.83Å; N536-L539 PolarHBondContact OD1-N 3.15Å; L539-E541 VanDerWaalsContact C-N 3.34Å; L539-Q542 PolarHBondContact O-N 3.34Å; L539-T543 HydrophobicContact CD1-CG2 3.73Å; L539-T543 HydrophobicContact CG-CG2 4.24Å; L539-T543 WeakPolarHBondContact O-CB 3.24Å; L539-T543 WeakPolarHBondContact O-CG2 3.46Å; L539-T543 PolarHBondContact O-N 2.96Å; L539-T543 PolarHBondContact O-OG1 2.96Å; L539-Q585 HydrophobicContact CD2-CB 3.47Å; L539-Q585 VanDerWaalsContact CD2-CB 3.47Å; L539-Q585 HydrophobicContact CD2-CG 4.48Å; L539-L671 HydrophobicContact CD2-CD1 3.7Å
540	V	94.6	Very high	94.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-61.8	-45.1	176.3	177.4	0	0	0	0	110.3	L535 N536 A537 S538 Q542 T543 V544 F582 S583 M693 M713 L726	L535-V540 HydrophobicContact CD2-CG2 3.94Å; L535-V540 HydrophobicContact CG-CG2 4.36Å; N536-V540 PolarHBondContact O-N 2.63Å; A537-V540 PolarHBondContact O-N 3.45Å; S538-V540 VanDerWaalsContact C-N 3.32Å; S538-V540 PolarHBondContact O-N 3.42Å; V540-Q542 VanDerWaalsContact C-N 3.35Å; V540-Q542 PolarHBondContact O-N 3.24Å; V540-T543 PolarHBondContact O-N 3.14Å; V540-V544 PolarHBondContact O-N 3.28Å; V540-F582 HydrophobicContact CG1-CB 4.1Å; V540-F582 HydrophobicContact CG1-CD2 3.96Å; V540-F582 HydrophobicContact CG1-CG 4.24Å; V540-F582 HydrophobicContact CG2-CD2 4.34Å; V540-S583 VanDerWaalsContact CG2-O 3.24Å; V540-S583 WeakPolarHBondContact CG2-O 3.23Å; V540-M693 HydrophobicContact CG1-CE 4.24Å; V540-M713 HydrophobicContact CB-CE 3.96Å; V540-M713 HydrophobicContact CG1-CE 3.61Å; V540-M713 HydrophobicContact CG2-CE 3.93Å; V540-L726 HydrophobicContact CG1-CD2 3.92Å
541	E	93.5	Very high	94.4	Very high	68 Å²	68	35.8 Å²	35.8	32%	0.318	18%	0.184	S	C	.	.	H	α-helix	trans	-60.5	-42.4	177	-162	169.7	152	0	0	112.4	A537 S538 L539 V544 H727 C729	A537-E541 PolarHBondContact O-N 2.82Å; S538-E541 PolarHBondContact O-N 2.71Å; L539-E541 VanDerWaalsContact C-N 3.34Å; E541-V544 WeakPolarHBondContact O-CG1 3.1Å; E541-H727 WeakPolarHBondContact OE1-CA 3.39Å; E541-C729 HydrophobicContact CB-CB 3.98Å; E541-C729 HydrophobicContact CG-CB 4.43Å; E541-C729 VanDerWaalsContact OE2-CB 3.3Å; E541-C729 WeakPolarHBondContact OE2-CB 3.44Å; E541-C729 PolarHBondContact OE2-N 2.73Å
542	Q	94.4	Very high	94.4	Very high	146 Å²	146	40.3 Å²	40.3	68%	0.682	20%	0.204	S	C	*	.	H	α-helix	trans	-75	-27	-176.1	-69.6	171.9	20.2	0	0	114	S538 L539 V540	S538-Q542 VanDerWaalsContact O-CG 3.26Å; S538-Q542 WeakPolarHBondContact O-CG 3.26Å; S538-Q542 PolarHBondContact O-N 2.98Å; S538-Q542 PolarHBondContact OG-NE2 3.17Å; L539-Q542 PolarHBondContact O-N 3.34Å; V540-Q542 VanDerWaalsContact C-N 3.35Å; V540-Q542 PolarHBondContact O-N 3.24Å
543	T	95.9	Very high	94.2	Very high	27 Å²	27	45 Å²	45	17%	0.166	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	8.4	-170.6	60.1	0	0	0	0	114.2	L539 V540 Y545 S583	L539-T543 HydrophobicContact CD1-CG2 3.73Å; L539-T543 HydrophobicContact CG-CG2 4.24Å; L539-T543 WeakPolarHBondContact O-CB 3.24Å; L539-T543 WeakPolarHBondContact O-CG2 3.46Å; L539-T543 PolarHBondContact O-N 2.96Å; L539-T543 PolarHBondContact O-OG1 2.96Å; V540-T543 PolarHBondContact O-N 3.14Å; T543-Y545 WeakPolarHBondContact O-CD1 3.44Å; T543-S583 WeakPolarHBondContact OG1-CB 3.36Å; T543-S583 PolarHBondContact OG1-N 2.66Å; T543-S583 PolarHBondContact OG1-OG 2.73Å
544	V	95.1	Very high	94.1	Very high	29 Å²	29	45 Å²	45	18%	0.176	23%	0.227	C	C	.	.			trans	-75.7	133.1	-176.9	72.1	0	0	0	0	112.5	V540 E541 L580 R581 I724 L726	V540-V544 PolarHBondContact O-N 3.28Å; E541-V544 WeakPolarHBondContact O-CG1 3.1Å; V544-L580 HydrophobicContact CG2-CD1 3.45Å; V544-L580 VanDerWaalsContact CG2-CD1 3.45Å; V544-L580 HydrophobicContact CG2-CG 4.44Å; V544-R581 VanDerWaalsContact CA-O 3.27Å; V544-R581 WeakPolarHBondContact CA-O 3.4Å; V544-I724 HydrophobicContact CG2-CG2 4.24Å; V544-L726 HydrophobicContact CB-CB 4.39Å; V544-L726 HydrophobicContact CB-CD2 4.24Å; V544-L726 HydrophobicContact CG1-CB 3.76Å; V544-L726 HydrophobicContact CG1-CD2 4.46Å; V544-L726 HydrophobicContact CG2-CB 4.41Å; V544-L726 HydrophobicContact CG2-CD2 4.2Å
545	Y	94.6	Very high	93.8	Very high	80 Å²	80	50.3 Å²	50.3	31%	0.314	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	167.2	170.4	63.8	-83.7	0	0	0	112.5	T543 E547 R581 H674	T543-Y545 WeakPolarHBondContact O-CD1 3.44Å; Y545-E547 HydrophobicContact CE2-CB 4.28Å; Y545-R581 HydrophobicContact CD1-CB 4.29Å; Y545-R581 HydrophobicContact CD2-CB 4.46Å; Y545-R581 HydrophobicContact CE1-CB 3.88Å; Y545-R581 HydrophobicContact CE2-CB 4.07Å; Y545-R581 HydrophobicContact CE2-CG 4.38Å; Y545-R581 VanDerWaalsContact CZ-CD 3.49Å; Y545-R581 PolarHBondContact N-O 3.34Å; Y545-R581 PolarHBondContact O-N 2.85Å; Y545-R581 WeakPolarHBondContact OH-CD 3.43Å; Y545-H674 HydrophobicContact CE1-CB 3.88Å; Y545-H674 AromaticContact CE1-CG 3.67Å; Y545-H674 AromaticContact CE1-ND1 3.56Å; Y545-H674 AromaticContact CZ-ND1 3.86Å; Y545-H674 PolarHBondContact OH-ND1 3.26Å
546	I	95.4	Very high	93.3	Very high	40 Å²	40	52.1 Å²	52.1	21%	0.205	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	136.5	174	-65.3	171.7	0	0	0	109.7	R578 L579 I683 Y719 I724	I546-R578 HydrophobicContact CG2-CG 3.54Å; I546-L579 CarbonylContact C-O 3.57Å; I546-L579 WeakPolarHBondContact CA-O 3.22Å; I546-I683 HydrophobicContact CD1-CD1 4.12Å; I546-I683 HydrophobicContact CG1-CD1 4.16Å; I546-Y719 HydrophobicContact CD1-CD2 3.97Å; I546-Y719 HydrophobicContact CD1-CE2 3.69Å; I546-I724 HydrophobicContact CD1-CB 3.76Å; I546-I724 HydrophobicContact CD1-CG2 4.09Å; I546-I724 HydrophobicContact CG1-CB 4.11Å; I546-I724 HydrophobicContact CG1-CG2 3.88Å
547	E	95	Very high	93	Very high	58 Å²	58	50.2 Å²	50.2	27%	0.271	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	129.7	169.6	-173.8	-168.3	-154.6	0	0	109.8	Y545 R549 L579 R581	Y545-E547 HydrophobicContact CE2-CB 4.28Å; E547-R549 HydrophobicContact CG-CB 4.29Å; E547-R549 IonicContact OE1-NH1 2.89Å; E547-R549 WeakPolarHBondContact OE2-CD 3.45Å; E547-R549 IonicContact OE2-NH1 3.11Å; E547-L579 PolarHBondContact N-O 3.39Å; E547-L579 PolarHBondContact O-N 3.43Å; E547-R581 IonicContact OE2-CZ 2.95Å; E547-R581 IonicContact OE2-NE 3.27Å; E547-R581 PolarHBondContact OE2-NE 2.92Å; E547-R581 IonicContact OE2-NH2 2.75Å; E547-R581 PolarHBondContact OE2-NH2 2.85Å
548	D	94.9	Very high	92.7	Very high	84 Å²	84	51.4 Å²	51.4	45%	0.449	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	102.2	165.7	-75.3	-45.9	0	0	0	108.2	R577 R578	D548-R577 CarbonylContact C-O 3.44Å; D548-R577 WeakPolarHBondContact CA-O 3.19Å; D548-R578 VanDerWaalsContact OD1-CB 3.27Å; D548-R578 WeakPolarHBondContact OD1-CB 3.24Å; D548-R578 WeakPolarHBondContact OD1-CG 3.45Å; D548-R578 IonicContact OD1-CZ 3.89Å; D548-R578 IonicContact OD1-NE 3.33Å; D548-R578 PolarHBondContact OD1-NE 3.05Å; D548-R578 IonicContact OD1-NH2 3.01Å; D548-R578 IonicContact OD2-CZ 2.9Å; D548-R578 IonicContact OD2-NE 3.66Å; D548-R578 IonicContact OD2-NH2 3.16Å; D548-R578 PolarHBondContact OD2-NH2 3.44Å
549	R	94.6	Very high	92.3	Very high	40 Å²	40	55.3 Å²	55.3	15%	0.151	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	131.7	-173	-169.1	157.6	168.9	161.2	-17.7	111.3	E547 M553 L554 H576 R577 L579 D677	E547-R549 HydrophobicContact CG-CB 4.29Å; E547-R549 IonicContact OE1-NH1 2.89Å; E547-R549 WeakPolarHBondContact OE2-CD 3.45Å; E547-R549 IonicContact OE2-NH1 3.11Å; R549-M553 HydrophobicContact CG-CB 4.3Å; R549-L554 HydrophobicContact CB-CD1 4.29Å; R549-L554 HydrophobicContact CB-CD2 4.48Å; R549-L554 HydrophobicContact CG-CD1 4.36Å; R549-L554 HydrophobicContact CG-CD2 3.98Å; R549-L554 HydrophobicContact CG-CG 4.1Å; R549-H576 CarbonylContact O-C 3.4Å; R549-H576 WeakPolarHBondContact O-CA 3.25Å; R549-R577 PolarHBondContact N-O 3.37Å; R549-R577 PolarHBondContact O-N 3.16Å; R549-L579 HydrophobicContact CB-CD1 3.94Å; R549-D677 IonicContact CZ-OD1 2.76Å; R549-D677 IonicContact NH1-OD1 2.75Å; R549-D677 IonicContact NH2-OD1 3.6Å; R549-D677 PolarHBondContact NH2-OD1 2.8Å; R549-D677 IonicContact NH2-OD2 3.65Å
550	P	95.4	Very high	91.6	Very high	22 Å²	22	54.7 Å²	54.7	14%	0.143	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	146.9	-179.8	29.8	-36.2	0	0	0	111.8	H552 M553 G575	P550-H552 VanDerWaalsContact C-N 3.32Å; P550-H552 VanDerWaalsContact CB-CE1 3.4Å; P550-H552 WeakPolarHBondContact CB-CE1 3.4Å; P550-H552 WeakPolarHBondContact CG-CE1 3.18Å; P550-H552 PolarHBondContact O-N 3.4Å; P550-M553 HydrophobicContact CG-CE 3.65Å; P550-M553 HydrophobicContact CG-CG 4.05Å; P550-M553 HydrophobicContact CG-SD 3.91Å; P550-M553 PolarHBondContact O-N 3.37Å; P550-M553 VanDerWaalsContact O-N 3.08Å; P550-G575 WeakPolarHBondContact CA-O 3.32Å
551	L	93.6	Very high	91.2	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-60.9	-35.6	-172.8	-73.5	172.7	0	0	0	113.2	M553 L554 A570 W572 G575 R577	L551-M553 PolarHBondContact O-N 3.05Å; L551-L554 HydrophobicContact CD2-CD1 4.45Å; L551-L554 PolarHBondContact O-N 3.18Å; L551-A570 HydrophobicContact CD1-CB 3.64Å; L551-A570 HydrophobicContact CD2-CB 4.45Å; L551-W572 HydrophobicContact CB-CD2 3.96Å; L551-W572 HydrophobicContact CB-CE3 3.68Å; L551-W572 HydrophobicContact CB-CH2 4.35Å; L551-W572 HydrophobicContact CB-CZ3 3.91Å; L551-W572 HydrophobicContact CD1-CD2 4.15Å; L551-W572 HydrophobicContact CD1-CG 4.17Å; L551-W572 HydrophobicContact CD2-CD2 4.16Å; L551-W572 HydrophobicContact CD2-CE3 4.39Å; L551-W572 HydrophobicContact CD2-CH2 3.82Å; L551-W572 HydrophobicContact CD2-CZ2 3.57Å; L551-W572 HydrophobicContact CD2-CZ3 4.26Å; L551-W572 HydrophobicContact CG-CD2 4.32Å; L551-W572 HydrophobicContact CG-CE3 4.47Å; L551-W572 WeakPolarHBondContact O-CZ3 3.24Å; L551-G575 WeakPolarHBondContact CG-O 3.46Å; L551-G575 PolarHBondContact N-O 2.82Å; L551-R577 HydrophobicContact CD2-CG 3.55Å
552	H	92	Very high	90.9	Very high	100 Å²	100	57.8 Å²	57.8	46%	0.463	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-58.8	-17.9	177.2	63.6	-90.6	0	0	0	114.9	P550 Y555 P573	P550-H552 VanDerWaalsContact C-N 3.32Å; P550-H552 VanDerWaalsContact CB-CE1 3.4Å; P550-H552 WeakPolarHBondContact CB-CE1 3.4Å; P550-H552 WeakPolarHBondContact CG-CE1 3.18Å; P550-H552 PolarHBondContact O-N 3.4Å; H552-Y555 HydrophobicContact CB-CE2 4.36Å; H552-Y555 WeakPolarHBondContact O-CD2 3.48Å; H552-P573 HydrophobicContact CB-CB 3.84Å; H552-P573 PolarHBondContact N-O 3.33Å
553	M	91.3	Very high	90.7	Very high	98 Å²	98	51.8 Å²	51.8	48%	0.483	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-95.8	4.5	175.3	-58.6	-175.3	-163.4	0	0	113.4	R549 P550 L551	R549-M553 HydrophobicContact CG-CB 4.3Å; P550-M553 HydrophobicContact CG-CE 3.65Å; P550-M553 HydrophobicContact CG-CG 4.05Å; P550-M553 HydrophobicContact CG-SD 3.91Å; P550-M553 PolarHBondContact O-N 3.37Å; P550-M553 VanDerWaalsContact O-N 3.08Å; L551-M553 PolarHBondContact O-N 3.05Å
554	L	91.4	Very high	90.5	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.258	C	S	.	.			trans	-120.5	13.2	-171.8	-64.2	175.8	0	0	0	113.2	R549 L551 C556 A557 A558 L563 W572 R577 L579 W680	R549-L554 HydrophobicContact CB-CD1 4.29Å; R549-L554 HydrophobicContact CB-CD2 4.48Å; R549-L554 HydrophobicContact CG-CD1 4.36Å; R549-L554 HydrophobicContact CG-CD2 3.98Å; R549-L554 HydrophobicContact CG-CG 4.1Å; L551-L554 HydrophobicContact CD2-CD1 4.45Å; L551-L554 PolarHBondContact O-N 3.18Å; L554-C556 PolarHBondContact O-N 2.85Å; L554-A557 HydrophobicContact CD2-CB 4.37Å; L554-A557 PolarHBondContact O-N 2.99Å; L554-A558 WeakPolarHBondContact O-CB 2.77Å; L554-A558 PolarHBondContact O-N 2.99Å; L554-L563 HydrophobicContact CB-CD1 4.18Å; L554-L563 HydrophobicContact CD1-CD1 4.48Å; L554-L563 HydrophobicContact CD1-CD2 4.23Å; L554-W572 HydrophobicContact CB-CH2 4Å; L554-W572 HydrophobicContact CB-CZ3 4.4Å; L554-R577 HydrophobicContact CD1-CB 3.84Å; L554-R577 HydrophobicContact CD1-CG 3.73Å; L554-L579 HydrophobicContact CD2-CD1 4.11Å; L554-W680 HydrophobicContact CD2-CH2 3.76Å; L554-W680 HydrophobicContact CD2-CZ2 4.02Å
555	Y	89	Confident	90.3	Very high	115 Å²	115	59.2 Å²	59.2	45%	0.451	29%	0.289	S	S	.	.	H	α-helix	trans	-56.7	-48.6	178.6	-79	-72.2	0	0	0	112.1	H552 A557 A558 E559 W572	H552-Y555 HydrophobicContact CB-CE2 4.36Å; H552-Y555 WeakPolarHBondContact O-CD2 3.48Å; Y555-A557 PolarHBondContact O-N 3.38Å; Y555-A558 WeakPolarHBondContact O-CB 3.33Å; Y555-A558 PolarHBondContact O-N 2.67Å; Y555-A558 VanDerWaalsContact O-N 3.12Å; Y555-E559 PolarHBondContact O-N 3.06Å; Y555-W572 HydrophobicContact CD1-CE3 4.06Å; Y555-W572 AromaticContact CD1-CZ3 3.9Å; Y555-W572 HydrophobicContact CD1-CZ3 3.9Å; Y555-W572 HydrophobicContact CD2-CZ3 4.49Å; Y555-W572 AromaticContact CE1-CE3 3.68Å; Y555-W572 HydrophobicContact CE1-CE3 3.68Å; Y555-W572 HydrophobicContact CE1-CZ3 4.02Å; Y555-W572 HydrophobicContact CE2-CE3 4.48Å; Y555-W572 HydrophobicContact CG-CZ3 4.14Å; Y555-W572 AromaticContact CZ-CE3 3.92Å
556	C	85.4	Confident	90.2	Very high	40 Å²	40	57.1 Å²	57.1	27%	0.27	29%	0.286	S	S	.	.	H	α-helix	trans	-59.7	-45.2	176.8	-81.5	0	0	0	0	113	L554 A558 E559 E560 C608	L554-C556 PolarHBondContact O-N 2.85Å; C556-A558 PolarHBondContact O-N 2.81Å; C556-E559 PolarHBondContact O-N 3.01Å; C556-E560 PolarHBondContact O-N 3.18Å; C556-E560 VanDerWaalsContact O-N 3.09Å; C556-C608 WeakPolarHBondContact CA-SG 2.96Å; C556-C608 HydrophobicContact CB-CB 3.41Å; C556-C608 VanDerWaalsContact CB-CB 3.41Å; C556-C608 WeakPolarHBondContact CB-SG 3.22Å; C556-C608 WeakPolarHBondContact SG-CB 3.21Å; C556-C608 CovalentContact SG-SG 2.03Å; C556-C608 PolarHBondContact SG-SG 2.86Å
557	A	87.1	Confident	90	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-67.1	-25.9	177	0	0	0	0	0	113.4	L554 Y555 C562 W680	L554-A557 HydrophobicContact CD2-CB 4.37Å; L554-A557 PolarHBondContact O-N 2.99Å; Y555-A557 PolarHBondContact O-N 3.38Å; A557-C562 HydrophobicContact CB-CB 4.16Å; A557-C562 WeakPolarHBondContact O-CA 3.3Å; A557-C562 VanDerWaalsContact O-CB 3.28Å; A557-C562 WeakPolarHBondContact O-CB 3.45Å; A557-C562 PolarHBondContact O-N 2.91Å; A557-W680 HydrophobicContact CB-CH2 3.69Å; A557-W680 HydrophobicContact CB-CZ2 3.46Å; A557-W680 VanDerWaalsContact CB-CZ2 3.46Å
558	A	87.3	Confident	89.7	Confident	35 Å²	35	57 Å²	57	29%	0.289	30%	0.301	S	S	.	.	H	α-helix	trans	-76.8	-35.1	173.6	0	0	0	0	0	112.1	L554 Y555 C556 E560 D561 L563 W572	L554-A558 WeakPolarHBondContact O-CB 2.77Å; L554-A558 PolarHBondContact O-N 2.99Å; Y555-A558 WeakPolarHBondContact O-CB 3.33Å; Y555-A558 PolarHBondContact O-N 2.67Å; Y555-A558 VanDerWaalsContact O-N 3.12Å; C556-A558 PolarHBondContact O-N 2.81Å; A558-E560 VanDerWaalsContact C-N 3.31Å; A558-D561 PolarHBondContact O-N 3.4Å; A558-L563 HydrophobicContact CB-CD1 3.93Å; A558-W572 HydrophobicContact CB-CH2 3.68Å; A558-W572 HydrophobicContact CB-CZ2 3.86Å
559	E	83.8	Confident	89.6	Confident	145 Å²	145	62.2 Å²	62.2	68%	0.678	32%	0.32	S	S	*	.	H	α-helix	trans	-66.7	-32.7	173.9	-72.4	179.1	175.8	0	0	112.2	Y555 C556 D561	Y555-E559 PolarHBondContact O-N 3.06Å; C556-E559 PolarHBondContact O-N 3.01Å; E559-D561 VanDerWaalsContact C-N 3.31Å
560	E	79.6	Confident	89.4	Confident	21 Å²	21	61.7 Å²	61.7	10%	0.098	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	10.2	174.7	-72.1	-164.6	175	0	0	114.7	C556 A558 C562 H606 H609 H613 C678	C556-E560 PolarHBondContact O-N 3.18Å; C556-E560 VanDerWaalsContact O-N 3.09Å; A558-E560 VanDerWaalsContact C-N 3.31Å; E560-C562 WeakPolarHBondContact CB-SG 3.49Å; E560-C562 PolarHBondContact O-N 2.89Å; E560-C562 VanDerWaalsContact O-N 3.12Å; E560-H606 VanDerWaalsContact CD-CE1 3.46Å; E560-H606 WeakPolarHBondContact CG-CE1 3.39Å; E560-H606 WeakPolarHBondContact CG-NE2 3.44Å; E560-H606 IonicContact OE1-CD2 3.51Å; E560-H606 PolarHBondContact OE1-CD2 3.36Å; E560-H606 VanDerWaalsContact OE1-CD2 3.26Å; E560-H606 IonicContact OE1-CE1 3.51Å; E560-H606 PolarHBondContact OE1-CE1 2.93Å; E560-H606 IonicContact OE1-CG 3.2Å; E560-H606 IonicContact OE1-ND1 2.82Å; E560-H606 PolarHBondContact OE1-ND1 2.94Å; E560-H606 IonicContact OE1-NE2 2.91Å; E560-H606 PolarHBondContact OE1-NE2 2.98Å; E560-H609 IonicContact OE1-CE1 3.98Å; E560-H609 PolarHBondContact OE1-CE1 3.07Å; E560-H609 IonicContact OE1-CG 2.71Å; E560-H609 IonicContact OE1-ND1 3.66Å; E560-H609 PolarHBondContact OE1-ND1 2.82Å; E560-H609 IonicContact OE2-CE1 2.9Å; E560-H609 PolarHBondContact OE2-CE1 3.23Å; E560-H609 IonicContact OE2-ND1 3.91Å; E560-H613 IonicContact OE1-CE1 3.58Å; E560-H613 PolarHBondContact OE1-CE1 2.72Å; E560-H613 IonicContact OE1-NE2 3.96Å; E560-C678 PolarHBondContact OE2-SG 3.08Å
561	D	85.6	Confident	89.3	Confident	125 Å²	125	66.1 Å²	66.1	67%	0.668	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	25.9	-177.7	-72.9	-40.7	0	0	0	114.7	A558 E559 L563 H635	A558-D561 PolarHBondContact O-N 3.4Å; E559-D561 VanDerWaalsContact C-N 3.31Å; D561-L563 VanDerWaalsContact C-N 3.28Å; D561-L563 PolarHBondContact O-N 3.03Å; D561-H635 PolarHBondContact O-CE1 2.87Å
562	C	87.3	Confident	89.2	Confident	8 Å²	8	69.3 Å²	69.3	5%	0.054	36%	0.358	C	S	.	.			trans	-82.1	0.6	-178.8	-54.1	0	0	0	0	114.7	A557 E560 C678 W680	A557-C562 HydrophobicContact CB-CB 4.16Å; A557-C562 WeakPolarHBondContact O-CA 3.3Å; A557-C562 VanDerWaalsContact O-CB 3.28Å; A557-C562 WeakPolarHBondContact O-CB 3.45Å; A557-C562 PolarHBondContact O-N 2.91Å; E560-C562 WeakPolarHBondContact CB-SG 3.49Å; E560-C562 PolarHBondContact O-N 2.89Å; E560-C562 VanDerWaalsContact O-N 3.12Å; C562-C678 HydrophobicContact CB-CB 3.62Å; C562-C678 WeakPolarHBondContact CB-SG 3.48Å; C562-C678 WeakPolarHBondContact SG-CB 3.33Å; C562-C678 CovalentContact SG-SG 2.02Å; C562-C678 PolarHBondContact SG-SG 3.33Å; C562-W680 HydrophobicContact CB-CZ2 4.43Å; C562-W680 PolarHBondContact O-NE1 3.09Å
563	L	90.8	Very high	89.2	Confident	21 Å²	21	66.2 Å²	66.2	11%	0.11	35%	0.347	C	S	.	.	S	Bend	trans	-108.4	157.5	179.2	-58.8	179.4	0	0	0	110.7	L554 A558 D561 A567 W572 R577 L579 W680	L554-L563 HydrophobicContact CB-CD1 4.18Å; L554-L563 HydrophobicContact CD1-CD1 4.48Å; L554-L563 HydrophobicContact CD1-CD2 4.23Å; A558-L563 HydrophobicContact CB-CD1 3.93Å; D561-L563 VanDerWaalsContact C-N 3.28Å; D561-L563 PolarHBondContact O-N 3.03Å; L563-A567 HydrophobicContact CB-CB 3.56Å; L563-A567 HydrophobicContact CD1-CB 3.87Å; L563-A567 HydrophobicContact CG-CB 4.37Å; L563-W572 HydrophobicContact CD1-CH2 4Å; L563-W572 HydrophobicContact CD1-CZ2 3.94Å; L563-R577 HydrophobicContact CD2-CG 4.47Å; L563-L579 HydrophobicContact CD2-CD2 4.23Å; L563-W680 HydrophobicContact CD2-CZ2 3.97Å
564	S	91.3	Very high	89.2	Confident	21 Å²	21	70.3 Å²	70.3	15%	0.147	36%	0.358	C	S	.	.			trans	-63	156.3	176.5	108.9	0	0	0	0	110.7	S566 A567 R577 D682 D685	S564-S566 PolarHBondContact O-N 2.87Å; S564-S566 PolarHBondContact OG-N 3.44Å; S564-S566 PolarHBondContact OG-OG 2.96Å; S564-A567 WeakPolarHBondContact O-CB 3.34Å; S564-A567 PolarHBondContact O-N 2.9Å; S564-R577 PolarHBondContact OG-NH2 2.88Å; S564-D682 PolarHBondContact N-OD2 2.92Å; S564-D685 PolarHBondContact OG-OD2 2.86Å
565	K	90.8	Very high	89.2	Confident	191 Å²	191	71.1 Å²	71.1	83%	0.83	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-22.3	178.8	-64.4	-179	-177.9	174.1	0	114	A567	K565-A567 VanDerWaalsContact C-N 3.29Å
566	S	92	Very high	89.5	Confident	36 Å²	36	71 Å²	71	25%	0.252	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-21.8	176.2	72	0	0	0	0	112.9	S564 A568 K569 A570 R577 D685	S564-S566 PolarHBondContact O-N 2.87Å; S564-S566 PolarHBondContact OG-N 3.44Å; S564-S566 PolarHBondContact OG-OG 2.96Å; S566-A568 PolarHBondContact O-N 3.06Å; S566-K569 PolarHBondContact O-N 2.73Å; S566-A570 PolarHBondContact O-N 3.47Å; S566-R577 PolarHBondContact OG-NH1 3.43Å; S566-R577 PolarHBondContact OG-NH2 3.33Å; S566-D685 VanDerWaalsContact CB-OD2 3.22Å; S566-D685 WeakPolarHBondContact CB-OD2 3.3Å; S566-D685 PolarHBondContact OG-OD1 3.18Å; S566-D685 PolarHBondContact OG-OD2 2.79Å
567	A	91.3	Very high	89.9	Confident	4 Å²	4	69.5 Å²	69.5	3%	0.033	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-60.9	-32.4	178.1	0	0	0	0	0	112.4	L563 S564 K565 K569 A570 W572	L563-A567 HydrophobicContact CB-CB 3.56Å; L563-A567 HydrophobicContact CD1-CB 3.87Å; L563-A567 HydrophobicContact CG-CB 4.37Å; S564-A567 WeakPolarHBondContact O-CB 3.34Å; S564-A567 PolarHBondContact O-N 2.9Å; K565-A567 VanDerWaalsContact C-N 3.29Å; A567-K569 PolarHBondContact O-N 3.04Å; A567-K569 VanDerWaalsContact O-N 3.16Å; A567-A570 VanDerWaalsContact O-CB 3.29Å; A567-A570 WeakPolarHBondContact O-CB 3.27Å; A567-A570 PolarHBondContact O-N 3.27Å; A567-W572 PolarHBondContact O-NE1 2.88Å
568	A	90	Very high	90.3	Very high	90 Å²	90	72.2 Å²	72.2	74%	0.744	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-61.6	-22.8	175.7	0	0	0	0	0	113.5	S566	S566-A568 PolarHBondContact O-N 3.06Å
569	K	91.6	Very high	90.7	Very high	195 Å²	195	70.6 Å²	70.6	85%	0.848	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-105.8	5.5	178.2	-61.1	179.1	-176.4	175.9	0	112.8	S566 A567	S566-K569 PolarHBondContact O-N 2.73Å; A567-K569 PolarHBondContact O-N 3.04Å; A567-K569 VanDerWaalsContact O-N 3.16Å
570	A	91.4	Very high	91.3	Very high	29 Å²	29	63.7 Å²	63.7	24%	0.24	32%	0.323	C	S	.	.	S	Bend	trans	-74.3	162.3	-178.8	0	0	0	0	0	111.4	L551 S566 A567 W572	L551-A570 HydrophobicContact CD1-CB 3.64Å; L551-A570 HydrophobicContact CD2-CB 4.45Å; S566-A570 PolarHBondContact O-N 3.47Å; A567-A570 VanDerWaalsContact O-CB 3.29Å; A567-A570 WeakPolarHBondContact O-CB 3.27Å; A567-A570 PolarHBondContact O-N 3.27Å; A570-W572 VanDerWaalsContact C-N 3.32Å; A570-W572 VanDerWaalsContact O-CD1 3.26Å; A570-W572 PolarHBondContact O-N 3.47Å
571	N	92.1	Very high	92	Very high	114 Å²	114	62.7 Å²	62.7	61%	0.61	32%	0.319	S	S	*	.			trans	-79.1	76.3	-179.5	-174.8	20	0	0	0	111.3	Y574 G575	N571-Y574 PolarHBondContact O-N 3.33Å; N571-G575 PolarHBondContact O-N 3Å
572	W	92.9	Very high	92.5	Very high	67 Å²	67	56.8 Å²	56.8	25%	0.254	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	136.8	175.7	-69.2	87.1	0	0	0	111.2	L551 L554 Y555 A558 L563 A567 A570	L551-W572 HydrophobicContact CB-CD2 3.96Å; L551-W572 HydrophobicContact CB-CE3 3.68Å; L551-W572 HydrophobicContact CB-CH2 4.35Å; L551-W572 HydrophobicContact CB-CZ3 3.91Å; L551-W572 HydrophobicContact CD1-CD2 4.15Å; L551-W572 HydrophobicContact CD1-CG 4.17Å; L551-W572 HydrophobicContact CD2-CD2 4.16Å; L551-W572 HydrophobicContact CD2-CE3 4.39Å; L551-W572 HydrophobicContact CD2-CH2 3.82Å; L551-W572 HydrophobicContact CD2-CZ2 3.57Å; L551-W572 HydrophobicContact CD2-CZ3 4.26Å; L551-W572 HydrophobicContact CG-CD2 4.32Å; L551-W572 HydrophobicContact CG-CE3 4.47Å; L551-W572 WeakPolarHBondContact O-CZ3 3.24Å; L554-W572 HydrophobicContact CB-CH2 4Å; L554-W572 HydrophobicContact CB-CZ3 4.4Å; Y555-W572 HydrophobicContact CD1-CE3 4.06Å; Y555-W572 AromaticContact CD1-CZ3 3.9Å; Y555-W572 HydrophobicContact CD1-CZ3 3.9Å; Y555-W572 HydrophobicContact CD2-CZ3 4.49Å; Y555-W572 AromaticContact CE1-CE3 3.68Å; Y555-W572 HydrophobicContact CE1-CE3 3.68Å; Y555-W572 HydrophobicContact CE1-CZ3 4.02Å; Y555-W572 HydrophobicContact CE2-CE3 4.48Å; Y555-W572 HydrophobicContact CG-CZ3 4.14Å; Y555-W572 AromaticContact CZ-CE3 3.92Å; A558-W572 HydrophobicContact CB-CH2 3.68Å; A558-W572 HydrophobicContact CB-CZ2 3.86Å; L563-W572 HydrophobicContact CD1-CH2 4Å; L563-W572 HydrophobicContact CD1-CZ2 3.94Å; A567-W572 PolarHBondContact O-NE1 2.88Å; A570-W572 VanDerWaalsContact C-N 3.32Å; A570-W572 VanDerWaalsContact O-CD1 3.26Å; A570-W572 PolarHBondContact O-N 3.47Å
573	P	91.7	Very high	92.8	Very high	36 Å²	36	56.6 Å²	56.6	23%	0.234	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	cis	-88.1	0.2	-3.6	30.2	-33.8	0	0	0	116.6	H552	H552-P573 HydrophobicContact CB-CB 3.84Å; H552-P573 PolarHBondContact N-O 3.33Å
574	Y	90.7	Very high	93	Very high	183 Å²	183	55.6 Å²	55.6	72%	0.718	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-8.3	-161.8	-54	-72.8	0	0	0	116	N571	N571-Y574 PolarHBondContact O-N 3.33Å
575	G	92.1	Very high	93.1	Very high	17 Å²	17	55.8 Å²	55.8	18%	0.175	28%	0.279	C	S	.	.			trans	-78.1	-179.9	175.7	0	0	0	0	0	113.6	P550 L551 N571	P550-G575 WeakPolarHBondContact CA-O 3.32Å; L551-G575 WeakPolarHBondContact CG-O 3.46Å; L551-G575 PolarHBondContact N-O 2.82Å; N571-G575 PolarHBondContact O-N 3Å
576	H	94.1	Very high	93.3	Very high	112 Å²	112	46.8 Å²	46.8	52%	0.519	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	156.4	175.2	-64	70	0	0	0	110	R549	R549-H576 CarbonylContact O-C 3.4Å; R549-H576 WeakPolarHBondContact O-CA 3.25Å
577	R	95.6	Very high	93.4	Very high	9 Å²	9	46.1 Å²	46.1	3%	0.034	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	141.8	168.1	-58.6	-58.7	-64.6	-179.9	-5.7	109	D548 R549 L551 L554 L563 S564 S566 L579 D682 T684 D685	D548-R577 CarbonylContact C-O 3.44Å; D548-R577 WeakPolarHBondContact CA-O 3.19Å; R549-R577 PolarHBondContact N-O 3.37Å; R549-R577 PolarHBondContact O-N 3.16Å; L551-R577 HydrophobicContact CD2-CG 3.55Å; L554-R577 HydrophobicContact CD1-CB 3.84Å; L554-R577 HydrophobicContact CD1-CG 3.73Å; L563-R577 HydrophobicContact CD2-CG 4.47Å; S564-R577 PolarHBondContact OG-NH2 2.88Å; S566-R577 PolarHBondContact OG-NH1 3.43Å; S566-R577 PolarHBondContact OG-NH2 3.33Å; R577-L579 HydrophobicContact CB-CD2 3.92Å; R577-L579 HydrophobicContact CB-CG 4.41Å; R577-D682 IonicContact CZ-OD1 3.09Å; R577-D682 IonicContact CZ-OD2 2.7Å; R577-D682 IonicContact NE-OD1 3.83Å; R577-D682 PolarHBondContact NE-OD1 2.89Å; R577-D682 IonicContact NE-OD2 3.59Å; R577-D682 PolarHBondContact NE-OD2 3.1Å; R577-D682 IonicContact NH2-OD1 3.44Å; R577-D682 PolarHBondContact NH2-OD1 2.04Å; R577-D682 VanDerWaalsContact NH2-OD1 3.09Å; R577-D682 IonicContact NH2-OD2 2.85Å; R577-D682 PolarHBondContact NH2-OD2 3.25Å; R577-T684 WeakPolarHBondContact CA-OG1 3.36Å; R577-T684 VanDerWaalsContact CZ-CB 3.48Å; R577-T684 VanDerWaalsContact CZ-OG1 3.3Å; R577-T684 PolarHBondContact NE-OG1 2.91Å; R577-D685 IonicContact NH2-OD2 3.03Å
578	R	95.2	Very high	93.6	Very high	58 Å²	58	46 Å²	46	22%	0.219	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	117.2	173.6	-172.5	167.4	-75.8	-178.4	-10.5	109.8	I546 D548 I683 T684 Y719 G721	I546-R578 HydrophobicContact CG2-CG 3.54Å; D548-R578 VanDerWaalsContact OD1-CB 3.27Å; D548-R578 WeakPolarHBondContact OD1-CB 3.24Å; D548-R578 WeakPolarHBondContact OD1-CG 3.45Å; D548-R578 IonicContact OD1-CZ 3.89Å; D548-R578 IonicContact OD1-NE 3.33Å; D548-R578 PolarHBondContact OD1-NE 3.05Å; D548-R578 IonicContact OD1-NH2 3.01Å; D548-R578 IonicContact OD2-CZ 2.9Å; D548-R578 IonicContact OD2-NE 3.66Å; D548-R578 IonicContact OD2-NH2 3.16Å; D548-R578 PolarHBondContact OD2-NH2 3.44Å; R578-I683 HydrophobicContact CB-CG1 4.25Å; R578-I683 HydrophobicContact CG-CD1 3.92Å; R578-I683 HydrophobicContact CG-CG1 3.77Å; R578-I683 WeakPolarHBondContact O-CG1 3.31Å; R578-I683 PolarHBondContact O-N 3.39Å; R578-T684 PolarHBondContact N-OG1 3.01Å; R578-T684 PolarHBondContact O-N 3.2Å; R578-Y719 VanDerWaalsContact CD-OH 3.3Å; R578-Y719 WeakPolarHBondContact CD-OH 3.19Å; R578-Y719 PolarHBondContact NH1-OH 3.16Å; R578-G721 PolarHBondContact NH1-O 2.91Å
579	L	95.2	Very high	93.6	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	126.9	-171.8	-52.2	179.3	0	0	0	109.3	I546 E547 R549 L554 L563 R577 W680 D682	I546-L579 CarbonylContact C-O 3.57Å; I546-L579 WeakPolarHBondContact CA-O 3.22Å; E547-L579 PolarHBondContact N-O 3.39Å; E547-L579 PolarHBondContact O-N 3.43Å; R549-L579 HydrophobicContact CB-CD1 3.94Å; L554-L579 HydrophobicContact CD2-CD1 4.11Å; L563-L579 HydrophobicContact CD2-CD2 4.23Å; R577-L579 HydrophobicContact CB-CD2 3.92Å; R577-L579 HydrophobicContact CB-CG 4.41Å; L579-W680 HydrophobicContact CB-CB 4.09Å; L579-W680 HydrophobicContact CB-CD2 4.42Å; L579-W680 HydrophobicContact CB-CG 4.08Å; L579-W680 HydrophobicContact CD1-CD2 3.83Å; L579-W680 HydrophobicContact CD1-CE3 3.98Å; L579-W680 HydrophobicContact CD1-CG 4.32Å; L579-W680 HydrophobicContact CD1-CH2 4.19Å; L579-W680 HydrophobicContact CD1-CZ2 4.08Å; L579-W680 HydrophobicContact CD1-CZ3 4.14Å; L579-W680 HydrophobicContact CD2-CD2 4.31Å; L579-W680 HydrophobicContact CD2-CG 4.13Å; L579-W680 HydrophobicContact CG-CD2 4.41Å; L579-W680 HydrophobicContact CG-CG 4.4Å; L579-D682 HydrophobicContact CD2-CB 4.1Å
580	L	95.6	Very high	93.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	104.2	169.1	171.6	60.1	0	0	0	108.6	V544 W680 L681 I683 M693 I724	V544-L580 HydrophobicContact CG2-CD1 3.45Å; V544-L580 VanDerWaalsContact CG2-CD1 3.45Å; V544-L580 HydrophobicContact CG2-CG 4.44Å; L580-W680 CarbonylContact O-C 3.54Å; L580-W680 WeakPolarHBondContact O-CA 3.5Å; L580-W680 VanDerWaalsContact O-CB 3.28Å; L580-W680 WeakPolarHBondContact O-CB 3.46Å; L580-L681 HydrophobicContact CB-CB 4.13Å; L580-L681 HydrophobicContact CD2-CB 4.37Å; L580-L681 HydrophobicContact CD2-CD1 4.19Å; L580-L681 PolarHBondContact N-O 2.02Å; L580-L681 PolarHBondContact O-N 3.22Å; L580-I683 HydrophobicContact CB-CD1 4.09Å; L580-I683 HydrophobicContact CB-CG1 4.21Å; L580-I683 HydrophobicContact CB-CG2 3.98Å; L580-I683 HydrophobicContact CD2-CG2 4.46Å; L580-M693 HydrophobicContact CD2-SD 4.18Å; L580-I724 HydrophobicContact CD1-CD1 3.48Å; L580-I724 VanDerWaalsContact CD1-CD1 3.48Å; L580-I724 HydrophobicContact CD1-CG1 4.46Å; L580-I724 HydrophobicContact CD1-CG2 3.73Å; L580-I724 HydrophobicContact CD2-CD1 3.52Å; L580-I724 HydrophobicContact CG-CD1 4.06Å
581	R	95.1	Very high	93.2	Very high	1 Å²	1	35.9 Å²	35.9	0%	0.004	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	152.3	-177.7	-71.9	179.6	174.3	-87.1	3.4	111.9	V544 Y545 E547 H674 I676 W680	V544-R581 VanDerWaalsContact CA-O 3.27Å; V544-R581 WeakPolarHBondContact CA-O 3.4Å; Y545-R581 HydrophobicContact CD1-CB 4.29Å; Y545-R581 HydrophobicContact CD2-CB 4.46Å; Y545-R581 HydrophobicContact CE1-CB 3.88Å; Y545-R581 HydrophobicContact CE2-CB 4.07Å; Y545-R581 HydrophobicContact CE2-CG 4.38Å; Y545-R581 VanDerWaalsContact CZ-CD 3.49Å; Y545-R581 PolarHBondContact N-O 3.34Å; Y545-R581 PolarHBondContact O-N 2.85Å; Y545-R581 WeakPolarHBondContact OH-CD 3.43Å; E547-R581 IonicContact OE2-CZ 2.95Å; E547-R581 IonicContact OE2-NE 3.27Å; E547-R581 PolarHBondContact OE2-NE 2.92Å; E547-R581 IonicContact OE2-NH2 2.75Å; E547-R581 PolarHBondContact OE2-NH2 2.85Å; R581-H674 WeakPolarHBondContact CD-O 3.04Å; R581-H674 PolarHBondContact NH1-O 3.33Å; R581-I676 PolarHBondContact NH1-O 3.23Å; R581-W680 HydrophobicContact CG-CB 3.97Å; R581-W680 VanDerWaalsContact NH1-CE3 3.33Å
582	F	95.4	Very high	93	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.145	C	C	.	.			trans	-166.2	156.3	177.7	59	-83.3	0	0	0	109.9	V540 S584 Y621 Q679 M693 V695	V540-F582 HydrophobicContact CG1-CB 4.1Å; V540-F582 HydrophobicContact CG1-CD2 3.96Å; V540-F582 HydrophobicContact CG1-CG 4.24Å; V540-F582 HydrophobicContact CG2-CD2 4.34Å; F582-S584 WeakPolarHBondContact CE2-OG 3.3Å; F582-Y621 HydrophobicContact CE1-CD2 4.4Å; F582-Y621 HydrophobicContact CE1-CG 4.49Å; F582-Y621 HydrophobicContact CE2-CD1 4.28Å; F582-Y621 HydrophobicContact CE2-CE1 4Å; F582-Y621 AromaticContact CZ-CD1 3.72Å; F582-Y621 HydrophobicContact CZ-CD1 3.72Å; F582-Y621 AromaticContact CZ-CD2 3.8Å; F582-Y621 HydrophobicContact CZ-CD2 3.8Å; F582-Y621 AromaticContact CZ-CE1 3.79Å; F582-Y621 HydrophobicContact CZ-CE1 3.79Å; F582-Y621 AromaticContact CZ-CE2 3.86Å; F582-Y621 HydrophobicContact CZ-CE2 3.86Å; F582-Y621 AromaticContact CZ-CG 3.72Å; F582-Y621 HydrophobicContact CZ-CG 3.72Å; F582-Y621 AromaticContact CZ-CZ 3.85Å; F582-Q679 WeakPolarHBondContact O-CG 3.43Å; F582-Q679 PolarHBondContact O-NE2 2.99Å; F582-Q679 VanDerWaalsContact O-NE2 3.16Å; F582-M693 HydrophobicContact CD1-CE 3.36Å; F582-M693 HydrophobicContact CD2-CE 3.95Å; F582-M693 HydrophobicContact CE1-CE 3.31Å; F582-M693 HydrophobicContact CE2-CE 3.89Å; F582-M693 HydrophobicContact CG-CE 3.69Å; F582-M693 HydrophobicContact CZ-CE 3.58Å; F582-V695 HydrophobicContact CE2-CG2 3.98Å; F582-V695 HydrophobicContact CZ-CG2 4.18Å
583	S	94.8	Very high	92.9	Very high	5 Å²	5	30.1 Å²	30.1	4%	0.035	14%	0.142	C	C	.	.			trans	-91	141.7	174.9	-50.5	0	0	0	0	111	V540 T543 Y672 H674	V540-S583 VanDerWaalsContact CG2-O 3.24Å; V540-S583 WeakPolarHBondContact CG2-O 3.23Å; T543-S583 WeakPolarHBondContact OG1-CB 3.36Å; T543-S583 PolarHBondContact OG1-N 2.66Å; T543-S583 PolarHBondContact OG1-OG 2.73Å; S583-Y672 CarbonylContact C-O 3.59Å; S583-Y672 VanDerWaalsContact CA-O 3.25Å; S583-Y672 WeakPolarHBondContact CA-O 3.42Å; S583-H674 WeakPolarHBondContact OG-CB 3.49Å; S583-H674 PolarHBondContact OG-CD2 2.93Å; S583-H674 VanDerWaalsContact OG-CD2 3.29Å; S583-H674 PolarHBondContact OG-N 2.03Å
584	S	93.5	Very high	92.9	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	116.9	171.4	-65.8	0	0	0	0	109.3	F582 Y621 Y672 Q679	F582-S584 WeakPolarHBondContact CE2-OG 3.3Å; S584-Y621 PolarHBondContact OG-OH 3.31Å; S584-Y672 PolarHBondContact N-O 2.98Å; S584-Y672 PolarHBondContact O-N 2.94Å; S584-Q679 PolarHBondContact OG-NE2 3.28Å
585	Q	94.6	Very high	92.9	Very high	25 Å²	25	24.5 Å²	24.5	12%	0.117	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	116.2	170.6	-179.4	-175.3	71.8	0	0	108.8	N536 L539 H587 W669 D670 L671	N536-Q585 HydrophobicContact CB-CB 4.07Å; N536-Q585 HydrophobicContact CB-CG 4.48Å; N536-Q585 PolarHBondContact N-O 2.93Å; N536-Q585 PolarHBondContact ND2-OE1 2.81Å; L539-Q585 HydrophobicContact CD2-CB 3.47Å; L539-Q585 VanDerWaalsContact CD2-CB 3.47Å; L539-Q585 HydrophobicContact CD2-CG 4.48Å; Q585-H587 VanDerWaalsContact CD-NE2 3.35Å; Q585-H587 PolarHBondContact OE1-NE2 3.35Å; Q585-W669 HydrophobicContact CG-CB 3.96Å; Q585-W669 HydrophobicContact CG-CG 3.77Å; Q585-W669 VanDerWaalsContact NE2-CD1 3.31Å; Q585-W669 VanDerWaalsContact NE2-NE1 3.11Å; Q585-D670 WeakPolarHBondContact CA-O 3.33Å; Q585-L671 HydrophobicContact CB-CD1 3.91Å; Q585-L671 HydrophobicContact CG-CD1 4.46Å
586	I	94.9	Very high	92.7	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	112.7	-175	-58.2	88.1	0	0	0	108.6	L533 L535 F618 I664 W669 D670 Y672 I697	L533-I586 HydrophobicContact CB-CG2 3.95Å; L533-I586 HydrophobicContact CD1-CG2 4.2Å; L533-I586 HydrophobicContact CD2-CG2 4.15Å; L533-I586 HydrophobicContact CG-CG2 4.34Å; L535-I586 HydrophobicContact CD1-CD1 4.36Å; L535-I586 HydrophobicContact CD1-CG1 4.02Å; I586-F618 HydrophobicContact CD1-CE1 4.11Å; I586-F618 HydrophobicContact CG1-CE1 4.05Å; I586-F618 HydrophobicContact CG2-CE1 4.5Å; I586-F618 HydrophobicContact CG2-CZ 4.21Å; I586-I664 HydrophobicContact CG2-CD1 4.37Å; I586-W669 CarbonylContact O-C 3.55Å; I586-W669 WeakPolarHBondContact O-CA 3.3Å; I586-W669 VanDerWaalsContact O-CB 3.24Å; I586-W669 WeakPolarHBondContact O-CB 3.41Å; I586-D670 PolarHBondContact N-O 2.81Å; I586-D670 PolarHBondContact O-N 2.85Å; I586-Y672 HydrophobicContact CD1-CD2 4.03Å; I586-I697 HydrophobicContact CB-CD1 4.45Å; I586-I697 HydrophobicContact CG1-CD1 3.91Å; I586-I697 HydrophobicContact CG1-CG1 4.22Å; I586-I697 HydrophobicContact CG2-CD1 3.89Å; I586-I697 HydrophobicContact CG2-CG2 4.3Å
587	H	94.2	Very high	92.2	Very high	22 Å²	22	24.7 Å²	24.7	10%	0.102	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	140.9	177.8	-71.4	-103.4	0	0	0	110.8	L533 V534 Q585 V589 W669	L533-H587 VanDerWaalsContact CA-O 3.29Å; L533-H587 WeakPolarHBondContact CA-O 3.5Å; V534-H587 PolarHBondContact N-O 3.38Å; V534-H587 PolarHBondContact O-N 2.78Å; Q585-H587 VanDerWaalsContact CD-NE2 3.35Å; Q585-H587 PolarHBondContact OE1-NE2 3.35Å; H587-V589 HydrophobicContact CB-CG1 4.01Å; H587-W669 HydrophobicContact CB-CB 4.42Å; H587-W669 AromaticContact CE1-CD2 3.56Å; H587-W669 AromaticContact CE1-CE3 3.29Å; H587-W669 AromaticContact CE1-CG 3.87Å; H587-W669 AromaticContact ND1-CD2 3.97Å; H587-W669 AromaticContact ND1-CE3 3.45Å
588	N	93.9	Very high	91.4	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	98.2	163.1	-178	10.7	0	0	0	110.1	D532 L533 G590 A592 F594 I664 G667 C668	D532-N588 PolarHBondContact N-OD1 3.14Å; D532-N588 CarbonylContact O-C 3.55Å; D532-N588 WeakPolarHBondContact O-CA 2.96Å; D532-N588 PolarHBondContact O-OD1 3.34Å; L533-N588 HydrophobicContact CD2-CB 4Å; N588-G590 VanDerWaalsContact C-N 3.34Å; N588-G590 PolarHBondContact OD1-N 3.13Å; N588-G590 VanDerWaalsContact OD1-N 3.13Å; N588-A592 PolarHBondContact ND2-O 3.38Å; N588-F594 PolarHBondContact ND2-N 3.09Å; N588-I664 HydrophobicContact CB-CB 4.2Å; N588-I664 HydrophobicContact CB-CG2 3.69Å; N588-I664 PolarHBondContact ND2-O 3.45Å; N588-G667 PolarHBondContact O-N 2.9Å; N588-C668 PolarHBondContact N-O 2.66Å
589	V	91.5	Very high	90.7	Very high	7 Å²	7	25 Å²	25	4%	0.042	13%	0.134	C	C	.	.			trans	-94.4	7.4	179.2	-59.4	0	0	0	0	112.8	G365 Q366 D532 V534 H587	G365-V589 CarbonylContact C-O 3.51Å; G365-V589 WeakPolarHBondContact CA-O 3.15Å; Q366-V589 HydrophobicContact CB-CB 3.97Å; Q366-V589 HydrophobicContact CB-CG1 4.37Å; Q366-V589 PolarHBondContact N-O 3.42Å; Q366-V589 WeakPolarHBondContact O-CB 3.4Å; Q366-V589 WeakPolarHBondContact O-CG2 3.41Å; D532-V589 HydrophobicContact CB-CG2 3.8Å; D532-V589 WeakPolarHBondContact O-CG2 3.27Å; D532-V589 PolarHBondContact O-N 3.24Å; V534-V589 HydrophobicContact CG2-CG2 3.58Å; H587-V589 HydrophobicContact CB-CG1 4.01Å
590	G	88.2	Confident	90.1	Very high	4 Å²	4	29.9 Å²	29.9	4%	0.041	15%	0.153	C	C	.	.	S	Bend	trans	-80.3	-153.9	-176.3	0	0	0	0	0	113.6	D532 N588 V666	D532-G590 VanDerWaalsContact CB-CA 3.45Å; N588-G590 VanDerWaalsContact C-N 3.34Å; N588-G590 PolarHBondContact OD1-N 3.13Å; N588-G590 VanDerWaalsContact OD1-N 3.13Å; G590-V666 VanDerWaalsContact O-CG1 3.24Å; G590-V666 WeakPolarHBondContact O-CG1 3.36Å
591	R	86.3	Confident	89.5	Confident	91 Å²	91	38.4 Å²	38.4	34%	0.343	19%	0.192	S	C	.	.	S	Bend	trans	-121	-0.6	-179.4	-65	-176.6	64.1	-171.1	-10	114.1	R363 T529 A530	R363-R591 WeakPolarHBondContact O-CD 3.38Å; R363-R591 PolarHBondContact O-NE 3.26Å; R363-R591 PolarHBondContact O-NH1 3.01Å; T529-R591 HydrophobicContact CG2-CB 3.95Å; A530-R591 PolarHBondContact O-N 2.65Å
592	A	88	Confident	88.9	Confident	24 Å²	24	40.7 Å²	40.7	20%	0.198	21%	0.208	C	C	.	.	S	Bend	trans	-136.8	152.9	174.8	0	0	0	0	0	109.4	A530 S531 N588 F594 V666	A530-A592 PolarHBondContact O-N 3.45Å; S531-A592 WeakPolarHBondContact CA-O 3.19Å; S531-A592 WeakPolarHBondContact CB-O 2.91Å; N588-A592 PolarHBondContact ND2-O 3.38Å; A592-F594 PolarHBondContact O-N 3.24Å; A592-V666 WeakPolarHBondContact O-CG2 3.49Å
593	D	90.4	Very high	88.4	Confident	37 Å²	37	41.7 Å²	41.7	20%	0.198	21%	0.212	C	C	.	.			trans	-60.4	132.8	172.8	-59.8	-9.6	0	0	0	109.3	R653 Y654 I664 V666	D593-R653 IonicContact OD2-NH1 3.32Å; D593-R653 PolarHBondContact OD2-NH1 3.4Å; D593-R653 VanDerWaalsContact OD2-NH1 3.16Å; D593-Y654 HydrophobicContact CB-CE2 3.85Å; D593-Y654 WeakPolarHBondContact CB-OH 3.46Å; D593-Y654 WeakPolarHBondContact OD2-CE2 3.43Å; D593-Y654 PolarHBondContact OD2-OH 3.16Å; D593-I664 CarbonylContact C-O 3.59Å; D593-I664 WeakPolarHBondContact CA-O 3.43Å; D593-V666 PolarHBondContact OD1-N 3.03Å
594	F	92.1	Very high	87.7	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-72.4	129.6	170.3	-177.2	-91.1	0	0	0	108.5	S531 L533 N588 A592 M615 F618 L641 G663 I664 V703	S531-F594 WeakPolarHBondContact OG-CD2 3.47Å; L533-F594 HydrophobicContact CD1-CD1 4.12Å; L533-F594 HydrophobicContact CD1-CD2 3.45Å; L533-F594 VanDerWaalsContact CD1-CD2 3.45Å; L533-F594 HydrophobicContact CD1-CE1 4.08Å; L533-F594 HydrophobicContact CD1-CE2 3.37Å; L533-F594 HydrophobicContact CD1-CG 3.83Å; L533-F594 HydrophobicContact CD1-CZ 3.71Å; L533-F594 HydrophobicContact CD2-CB 3.9Å; L533-F594 HydrophobicContact CD2-CD2 3.98Å; L533-F594 HydrophobicContact CD2-CG 3.96Å; L533-F594 HydrophobicContact CG-CD2 3.68Å; L533-F594 HydrophobicContact CG-CE2 4.03Å; L533-F594 HydrophobicContact CG-CG 4.14Å; N588-F594 PolarHBondContact ND2-N 3.09Å; A592-F594 PolarHBondContact O-N 3.24Å; F594-M615 HydrophobicContact CE1-SD 3.93Å; F594-M615 HydrophobicContact CZ-SD 4.04Å; F594-F618 AromaticContact CE1-CE2 3.76Å; F594-F618 HydrophobicContact CE1-CE2 3.76Å; F594-F618 AromaticContact CZ-CE2 3.87Å; F594-F618 HydrophobicContact CZ-CE2 3.87Å; F594-L641 HydrophobicContact CD1-CD1 4.08Å; F594-L641 HydrophobicContact CE1-CD1 3.77Å; F594-L641 HydrophobicContact CE1-CD2 4.48Å; F594-G663 CarbonylContact O-C 3.58Å; F594-G663 WeakPolarHBondContact O-CA 3.39Å; F594-I664 HydrophobicContact CB-CB 4.26Å; F594-I664 PolarHBondContact N-O 3.08Å; F594-I664 PolarHBondContact O-N 2.9Å; F594-V703 HydrophobicContact CD2-CB 4.34Å; F594-V703 HydrophobicContact CD2-CG1 3.77Å; F594-V703 HydrophobicContact CE1-CG2 4.37Å; F594-V703 HydrophobicContact CE2-CB 3.46Å; F594-V703 VanDerWaalsContact CE2-CB 3.46Å; F594-V703 HydrophobicContact CE2-CG1 3.39Å; F594-V703 HydrophobicContact CE2-CG2 4.08Å; F594-V703 HydrophobicContact CZ-CB 3.62Å; F594-V703 HydrophobicContact CZ-CG1 3.86Å; F594-V703 HydrophobicContact CZ-CG2 3.69Å
595	K	89.9	Confident	87	Confident	100 Å²	100	51.4 Å²	51.4	44%	0.435	26%	0.257	S	S	.	.			trans	-133.7	142.5	-178.1	-69.3	-174.5	178	-174.7	0	111.2	K597 Y654 V703	K595-K597 PolarHBondContact O-N 2.98Å; K595-Y654 WeakPolarHBondContact CE-OH 3.29Å; K595-Y654 PolarHBondContact NZ-OH 3.3Å; K595-V703 WeakPolarHBondContact O-CG1 3.12Å; K595-V703 WeakPolarHBondContact O-CG2 3.19Å
596	P	87.3	Confident	85.9	Confident	18 Å²	18	51.7 Å²	51.7	12%	0.117	26%	0.258	C	S	.	.			trans	-59.6	138.3	174.1	25.9	-33	0	0	0	109.9	A598 W603 M615 L641 Q662	P596-A598 PolarHBondContact O-N 2.81Å; P596-W603 HydrophobicContact CG-CZ2 4.02Å; P596-M615 HydrophobicContact CB-CG 4.08Å; P596-L641 HydrophobicContact CB-CD1 4.34Å; P596-Q662 VanDerWaalsContact CD-O 3.3Å; P596-Q662 WeakPolarHBondContact CD-O 3.41Å; P596-Q662 HydrophobicContact CG-CB 4.43Å
597	K	83.7	Confident	84.7	Confident	115 Å²	115	55.6 Å²	55.6	50%	0.5	29%	0.29	S	S	.	.	S	Bend	trans	-58.9	-36.4	179.2	179.2	-179	-177.8	175	0	111.8	K595 V703	K595-K597 PolarHBondContact O-N 2.98Å; K597-V703 HydrophobicContact CB-CG2 4.3Å
598	A	79.6	Confident	83.7	Confident	40 Å²	40	56.4 Å²	56.4	33%	0.331	30%	0.298	S	S	.	.	S	Bend	trans	-99.6	139.6	-172.1	0	0	0	0	0	110.7	P596 S602 W603	P596-A598 PolarHBondContact O-N 2.81Å; A598-S602 WeakPolarHBondContact CB-OG 3.17Å; A598-W603 PolarHBondContact O-NE1 2.96Å
599	G	80.7	Confident	82.6	Confident	33 Å²	33	58.1 Å²	58.1	34%	0.34	31%	0.306	S	S	.	.			trans	-78.1	173.4	-178.6	0	0	0	0	0	112.5	H601 S602 W603	G599-H601 PolarHBondContact O-N 3.01Å; G599-S602 PolarHBondContact O-N 2.99Å; G599-S602 PolarHBondContact O-OG 2.95Å; G599-W603 VanDerWaalsContact O-CD1 3.25Å; G599-W603 PolarHBondContact O-NE1 2.96Å
600	R	83.3	Confident	81.7	Confident	104 Å²	104	59.9 Å²	59.9	39%	0.392	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-50.1	-26.7	-176.1	-59	-169.4	-171.5	-171.6	7.4	115.9	S602 W603 F659 D661	R600-S602 VanDerWaalsContact C-N 3.26Å; R600-S602 PolarHBondContact O-N 2.98Å; R600-W603 HydrophobicContact CB-CD2 4.36Å; R600-W603 HydrophobicContact CB-CE3 4.35Å; R600-W603 HydrophobicContact CG-CD2 4.36Å; R600-W603 HydrophobicContact CG-CE3 4.13Å; R600-W603 HydrophobicContact CG-CH2 3.73Å; R600-W603 HydrophobicContact CG-CZ2 3.97Å; R600-W603 HydrophobicContact CG-CZ3 3.81Å; R600-W603 PolarHBondContact O-N 3.16Å; R600-F659 HydrophobicContact CB-CE1 4.27Å; R600-F659 HydrophobicContact CB-CZ 3.87Å; R600-F659 PolarHBondContact NH1-O 3.41Å; R600-F659 VanDerWaalsContact NH1-O 3.09Å; R600-D661 IonicContact CZ-OD1 2.78Å; R600-D661 VanDerWaalsContact CZ-OD1 3.28Å; R600-D661 IonicContact NE-OD1 3.76Å; R600-D661 PolarHBondContact NE-OD1 2.93Å; R600-D661 VanDerWaalsContact NE-OD1 3.12Å; R600-D661 IonicContact NH2-OD1 2.58Å; R600-D661 PolarHBondContact NH2-OD1 3.18Å; R600-D661 IonicContact NH2-OD2 3.34Å; R600-D661 PolarHBondContact NH2-OD2 2.91Å
601	H	82.3	Confident	81.1	Confident	178 Å²	178	61.6 Å²	61.6	82%	0.824	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-70	-18.9	-179.1	62.9	-88.5	0	0	0	114.2	G599	G599-H601 PolarHBondContact O-N 3.01Å
602	S	82.9	Confident	80.8	Confident	49 Å²	49	60.6 Å²	60.6	34%	0.343	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-105.7	-0.7	178.3	64.9	0	0	0	0	112.8	A598 G599 R600	A598-S602 WeakPolarHBondContact CB-OG 3.17Å; G599-S602 PolarHBondContact O-N 2.99Å; G599-S602 PolarHBondContact O-OG 2.95Å; R600-S602 VanDerWaalsContact C-N 3.26Å; R600-S602 PolarHBondContact O-N 2.98Å
603	W	83.6	Confident	80.4	Confident	21 Å²	21	60.2 Å²	60.2	8%	0.08	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-73	136.4	179.1	-60.9	-3.5	0	0	0	109.7	P596 A598 G599 R600 Y612 H613 F659 G660 Q662	P596-W603 HydrophobicContact CG-CZ2 4.02Å; A598-W603 PolarHBondContact O-NE1 2.96Å; G599-W603 VanDerWaalsContact O-CD1 3.25Å; G599-W603 PolarHBondContact O-NE1 2.96Å; R600-W603 HydrophobicContact CB-CD2 4.36Å; R600-W603 HydrophobicContact CB-CE3 4.35Å; R600-W603 HydrophobicContact CG-CD2 4.36Å; R600-W603 HydrophobicContact CG-CE3 4.13Å; R600-W603 HydrophobicContact CG-CH2 3.73Å; R600-W603 HydrophobicContact CG-CZ2 3.97Å; R600-W603 HydrophobicContact CG-CZ3 3.81Å; R600-W603 PolarHBondContact O-N 3.16Å; W603-Y612 HydrophobicContact CB-CD1 3.95Å; W603-Y612 HydrophobicContact CB-CG 4.42Å; W603-H613 VanDerWaalsContact CA-O 3.3Å; W603-H613 WeakPolarHBondContact CA-O 3.3Å; W603-H613 WeakPolarHBondContact CB-O 3.38Å; W603-F659 HydrophobicContact CE3-CD2 4.13Å; W603-F659 AromaticContact CE3-CE2 3.68Å; W603-F659 HydrophobicContact CE3-CE2 3.68Å; W603-F659 HydrophobicContact CE3-CZ 4.48Å; W603-F659 HydrophobicContact CZ3-CD2 4.36Å; W603-F659 HydrophobicContact CZ3-CE2 4.26Å; W603-G660 WeakPolarHBondContact CZ3-O 3.43Å; W603-Q662 HydrophobicContact CH2-CB 3.92Å; W603-Q662 HydrophobicContact CH2-CG 3.77Å; W603-Q662 HydrophobicContact CZ2-CB 4.24Å; W603-Q662 HydrophobicContact CZ2-CG 4.43Å; W603-Q662 HydrophobicContact CZ3-CG 3.86Å
604	V	81.1	Confident	80	Confident	81 Å²	81	58.8 Å²	58.8	49%	0.491	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	124.7	-175.7	-177.7	0	0	0	0	108.6	Y612 H613	V604-Y612 CarbonylContact O-C 3.56Å; V604-Y612 WeakPolarHBondContact O-CA 3.48Å; V604-H613 PolarHBondContact N-O 2.84Å; V604-H613 PolarHBondContact O-N 3.15Å
605	W	78.1	Confident	79.3	Confident	128 Å²	128	59.1 Å²	59.1	49%	0.485	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	129.2	174.1	174.7	-97.9	0	0	0	109.8	G610 H611 Y612	W605-G610 WeakPolarHBondContact CH2-O 3.41Å; W605-H611 VanDerWaalsContact CE3-C 3.46Å; W605-Y612 HydrophobicContact CB-CD1 3.96Å; W605-Y612 HydrophobicContact CB-CE1 3.66Å; W605-Y612 HydrophobicContact CD2-CE2 4.38Å; W605-Y612 HydrophobicContact CE3-CD1 4.46Å; W605-Y612 AromaticContact CE3-CD2 3.42Å; W605-Y612 HydrophobicContact CE3-CD2 3.42Å; W605-Y612 VanDerWaalsContact CE3-CD2 3.42Å; W605-Y612 HydrophobicContact CE3-CE1 4.45Å; W605-Y612 AromaticContact CE3-CE2 3.4Å; W605-Y612 HydrophobicContact CE3-CE2 3.4Å; W605-Y612 AromaticContact CE3-CG 3.98Å; W605-Y612 HydrophobicContact CE3-CG 3.98Å; W605-Y612 AromaticContact CE3-CZ 3.94Å; W605-Y612 AromaticContact CZ3-CD2 3.88Å; W605-Y612 HydrophobicContact CZ3-CD2 3.88Å; W605-Y612 AromaticContact CZ3-CE2 3.9Å; W605-Y612 HydrophobicContact CZ3-CE2 3.9Å
606	H	72.1	Confident	78.6	Confident	32 Å²	32	60.2 Å²	60.2	15%	0.148	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	110.2	173.2	-151.9	-85.2	0	0	0	111.9	E560 C608 H609 G610 H611 H613	E560-H606 VanDerWaalsContact CD-CE1 3.46Å; E560-H606 WeakPolarHBondContact CG-CE1 3.39Å; E560-H606 WeakPolarHBondContact CG-NE2 3.44Å; E560-H606 IonicContact OE1-CD2 3.51Å; E560-H606 PolarHBondContact OE1-CD2 3.36Å; E560-H606 VanDerWaalsContact OE1-CD2 3.26Å; E560-H606 IonicContact OE1-CE1 3.51Å; E560-H606 PolarHBondContact OE1-CE1 2.93Å; E560-H606 IonicContact OE1-CG 3.2Å; E560-H606 IonicContact OE1-ND1 2.82Å; E560-H606 PolarHBondContact OE1-ND1 2.94Å; E560-H606 IonicContact OE1-NE2 2.91Å; E560-H606 PolarHBondContact OE1-NE2 2.98Å; H606-C608 WeakPolarHBondContact ND1-CB 3.38Å; H606-C608 PolarHBondContact ND1-N 3.34Å; H606-C608 PolarHBondContact O-N 2.61Å; H606-H609 AromaticContact ND1-ND1 3.72Å; H606-H609 PolarHBondContact O-N 3.11Å; H606-H609 VanDerWaalsContact O-N 3.09Å; H606-G610 PolarHBondContact O-N 2.69Å; H606-H611 PolarHBondContact N-O 2.74Å; H606-H613 AromaticContact CG-CE1 3.94Å
607	A	69.8	Low	78.3	Confident	82 Å²	82	60.8 Å²	60.8	68%	0.678	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-30.3	-173.8	0	0	0	0	0	113.1	H609	A607-H609 VanDerWaalsContact C-N 3.3Å; A607-H609 PolarHBondContact O-N 2.85Å
608	C	72.4	Confident	78.5	Confident	40 Å²	40	55.4 Å²	55.4	27%	0.27	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-25.5	178.2	-68.3	0	0	0	0	113.8	C556 H606	C556-C608 WeakPolarHBondContact CA-SG 2.96Å; C556-C608 HydrophobicContact CB-CB 3.41Å; C556-C608 VanDerWaalsContact CB-CB 3.41Å; C556-C608 WeakPolarHBondContact CB-SG 3.22Å; C556-C608 WeakPolarHBondContact SG-CB 3.21Å; C556-C608 CovalentContact SG-SG 2.03Å; C556-C608 PolarHBondContact SG-SG 2.86Å; H606-C608 WeakPolarHBondContact ND1-CB 3.38Å; H606-C608 PolarHBondContact ND1-N 3.34Å; H606-C608 PolarHBondContact O-N 2.61Å
609	H	70.9	Confident	78.9	Confident	36 Å²	36	53.6 Å²	53.6	17%	0.167	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-10.5	-174.3	-59.6	138.8	0	0	0	113.5	E560 H606 A607 H611 H613 F639	E560-H609 IonicContact OE1-CE1 3.98Å; E560-H609 PolarHBondContact OE1-CE1 3.07Å; E560-H609 IonicContact OE1-CG 2.71Å; E560-H609 IonicContact OE1-ND1 3.66Å; E560-H609 PolarHBondContact OE1-ND1 2.82Å; E560-H609 IonicContact OE2-CE1 2.9Å; E560-H609 PolarHBondContact OE2-CE1 3.23Å; E560-H609 IonicContact OE2-ND1 3.91Å; H606-H609 AromaticContact ND1-ND1 3.72Å; H606-H609 PolarHBondContact O-N 3.11Å; H606-H609 VanDerWaalsContact O-N 3.09Å; A607-H609 VanDerWaalsContact C-N 3.3Å; A607-H609 PolarHBondContact O-N 2.85Å; H609-H611 PolarHBondContact O-N 3.11Å; H609-H611 PolarHBondContact O-ND1 3.06Å; H609-H613 AromaticContact ND1-NE2 3.87Å; H609-F639 HydrophobicContact CB-CD1 4.23Å; H609-F639 HydrophobicContact CB-CE1 4.14Å; H609-F639 AromaticContact CD2-CE1 3.44Å; H609-F639 VanDerWaalsContact CD2-CE1 3.44Å; H609-F639 WeakPolarHBondContact CD2-CE1 3.45Å; H609-F639 AromaticContact CD2-CZ 3.84Å; H609-F639 AromaticContact CE1-CE1 3.33Å; H609-F639 WeakPolarHBondContact CE1-CE1 3.23Å; H609-F639 AromaticContact CE1-CE2 3.63Å; H609-F639 AromaticContact CE1-CZ 2.91Å; H609-F639 WeakPolarHBondContact CE1-CZ 2.91Å; H609-F639 AromaticContact CG-CD1 3.87Å; H609-F639 AromaticContact CG-CE1 3.34Å; H609-F639 AromaticContact CG-CZ 3.78Å; H609-F639 AromaticContact ND1-CD1 3.87Å; H609-F639 AromaticContact ND1-CE1 3.26Å; H609-F639 VanDerWaalsContact ND1-CE1 3.26Å; H609-F639 WeakPolarHBondContact ND1-CE1 3.08Å; H609-F639 AromaticContact ND1-CE2 3.72Å; H609-F639 AromaticContact ND1-CZ 3.2Å; H609-F639 WeakPolarHBondContact ND1-CZ 3.34Å; H609-F639 AromaticContact NE2-CE1 3.45Å; H609-F639 WeakPolarHBondContact NE2-CE1 3.22Å; H609-F639 AromaticContact NE2-CZ 3.34Å; H609-F639 VanDerWaalsContact NE2-CZ 3.34Å; H609-F639 WeakPolarHBondContact NE2-CZ 3.2Å
610	G	72.5	Confident	79.5	Confident	45 Å²	45	54 Å²	54	46%	0.464	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.3	25.1	174.8	0	0	0	0	0	113.3	W605 H606	W605-G610 WeakPolarHBondContact CH2-O 3.41Å; H606-G610 PolarHBondContact O-N 2.69Å
611	H	75	Confident	79.9	Confident	40 Å²	40	49.1 Å²	49.1	19%	0.185	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	175	174.9	57.6	-120.4	0	0	0	112	W605 H606 H609 H613 F639	W605-H611 VanDerWaalsContact CE3-C 3.46Å; H606-H611 PolarHBondContact N-O 2.74Å; H609-H611 PolarHBondContact O-N 3.11Å; H609-H611 PolarHBondContact O-ND1 3.06Å; H611-H613 AromaticContact CD2-CD2 3.77Å; H611-H613 AromaticContact NE2-CD2 3.93Å; H611-H613 AromaticContact NE2-NE2 3.77Å; H611-F639 PolarHBondContact CD2-O 3.46Å; H611-F639 AromaticContact CE1-CD1 3.7Å; H611-F639 VanDerWaalsContact NE2-CB 3.3Å; H611-F639 WeakPolarHBondContact NE2-CB 3.44Å; H611-F639 AromaticContact NE2-CD1 3.57Å; H611-F639 AromaticContact NE2-CG 3.72Å; H611-F639 PolarHBondContact NE2-O 3.09Å
612	Y	80.8	Confident	80.5	Confident	70 Å²	70	41 Å²	41	28%	0.275	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	135.3	179.7	-78.6	-88.8	0	0	0	112.3	W603 V604 W605 F639 F659 Q662	W603-Y612 HydrophobicContact CB-CD1 3.95Å; W603-Y612 HydrophobicContact CB-CG 4.42Å; V604-Y612 CarbonylContact O-C 3.56Å; V604-Y612 WeakPolarHBondContact O-CA 3.48Å; W605-Y612 HydrophobicContact CB-CD1 3.96Å; W605-Y612 HydrophobicContact CB-CE1 3.66Å; W605-Y612 HydrophobicContact CD2-CE2 4.38Å; W605-Y612 HydrophobicContact CE3-CD1 4.46Å; W605-Y612 AromaticContact CE3-CD2 3.42Å; W605-Y612 HydrophobicContact CE3-CD2 3.42Å; W605-Y612 VanDerWaalsContact CE3-CD2 3.42Å; W605-Y612 HydrophobicContact CE3-CE1 4.45Å; W605-Y612 AromaticContact CE3-CE2 3.4Å; W605-Y612 HydrophobicContact CE3-CE2 3.4Å; W605-Y612 AromaticContact CE3-CG 3.98Å; W605-Y612 HydrophobicContact CE3-CG 3.98Å; W605-Y612 AromaticContact CE3-CZ 3.94Å; W605-Y612 AromaticContact CZ3-CD2 3.88Å; W605-Y612 HydrophobicContact CZ3-CD2 3.88Å; W605-Y612 AromaticContact CZ3-CE2 3.9Å; W605-Y612 HydrophobicContact CZ3-CE2 3.9Å; Y612-F639 CarbonylContact C-O 3.51Å; Y612-F659 HydrophobicContact CD1-CD2 4.37Å; Y612-F659 AromaticContact CD1-CE2 3.74Å; Y612-F659 HydrophobicContact CD1-CE2 3.74Å; Y612-F659 AromaticContact CD2-CD2 3.11Å; Y612-F659 HydrophobicContact CD2-CD2 3.11Å; Y612-F659 AromaticContact CD2-CE2 3.36Å; Y612-F659 HydrophobicContact CD2-CE2 3.36Å; Y612-F659 HydrophobicContact CD2-CG 4.14Å; Y612-F659 AromaticContact CE1-CE2 3.83Å; Y612-F659 HydrophobicContact CE1-CE2 3.83Å; Y612-F659 HydrophobicContact CE1-CZ 4.35Å; Y612-F659 AromaticContact CE2-CD2 3.32Å; Y612-F659 HydrophobicContact CE2-CD2 3.32Å; Y612-F659 AromaticContact CE2-CE2 3.46Å; Y612-F659 HydrophobicContact CE2-CE2 3.46Å; Y612-F659 VanDerWaalsContact CE2-CE2 3.46Å; Y612-F659 HydrophobicContact CE2-CG 4.01Å; Y612-F659 HydrophobicContact CE2-CZ 4.26Å; Y612-F659 AromaticContact CG-CD2 3.7Å; Y612-F659 HydrophobicContact CG-CD2 3.7Å; Y612-F659 AromaticContact CG-CE2 3.5Å; Y612-F659 HydrophobicContact CG-CE2 3.5Å; Y612-F659 VanDerWaalsContact CG-CE2 3.5Å; Y612-F659 AromaticContact CZ-CE2 3.7Å; Y612-Q662 PolarHBondContact O-NE2 2.99Å
613	H	79.8	Confident	81	Confident	15 Å²	15	38.8 Å²	38.8	7%	0.069	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	126.5	171	-64.9	-171	0	0	0	109.2	E560 W603 V604 H606 H609 H611 S638 F639	E560-H613 IonicContact OE1-CE1 3.58Å; E560-H613 PolarHBondContact OE1-CE1 2.72Å; E560-H613 IonicContact OE1-NE2 3.96Å; W603-H613 VanDerWaalsContact CA-O 3.3Å; W603-H613 WeakPolarHBondContact CA-O 3.3Å; W603-H613 WeakPolarHBondContact CB-O 3.38Å; V604-H613 PolarHBondContact N-O 2.84Å; V604-H613 PolarHBondContact O-N 3.15Å; H606-H613 AromaticContact CG-CE1 3.94Å; H609-H613 AromaticContact ND1-NE2 3.87Å; H611-H613 AromaticContact CD2-CD2 3.77Å; H611-H613 AromaticContact NE2-CD2 3.93Å; H611-H613 AromaticContact NE2-NE2 3.77Å; H613-S638 VanDerWaalsContact CA-O 3.32Å; H613-S638 WeakPolarHBondContact CA-O 3.3Å; H613-S638 WeakPolarHBondContact CB-O 3.39Å; H613-S638 PolarHBondContact CD2-O 3.34Å; H613-S638 VanDerWaalsContact CD2-O 3.31Å; H613-F639 PolarHBondContact CD2-O 2.88Å
614	S	81.6	Confident	81.4	Confident	7 Å²	7	38.8 Å²	38.8	5%	0.049	22%	0.216	C	C	.	.	S	Bend	trans	-100	-10.1	-175.1	61	0	0	0	0	114.7	S638 Q662	S614-S638 PolarHBondContact N-OG 2.86Å; S614-Q662 PolarHBondContact OG-OE1 3.36Å
615	M	78.7	Confident	81.8	Confident	8 Å²	8	36.8 Å²	36.8	4%	0.039	20%	0.203	C	C	.	.			trans	-144.2	136.6	175.5	-59.1	-178.8	55.6	0	0	110.4	F594 P596 F618 S638 L641 E702 V703	F594-M615 HydrophobicContact CE1-SD 3.93Å; F594-M615 HydrophobicContact CZ-SD 4.04Å; P596-M615 HydrophobicContact CB-CG 4.08Å; M615-F618 HydrophobicContact CE-CD2 4.18Å; M615-F618 HydrophobicContact SD-CD2 3.98Å; M615-S638 VanDerWaalsContact CA-OG 3.27Å; M615-S638 WeakPolarHBondContact CA-OG 3.35Å; M615-S638 WeakPolarHBondContact CB-OG 3.47Å; M615-S638 PolarHBondContact N-OG 2.86Å; M615-S638 WeakPolarHBondContact O-CB 3.11Å; M615-S638 PolarHBondContact O-N 3.44Å; M615-S638 PolarHBondContact O-OG 2.84Å; M615-L641 HydrophobicContact CG-CD1 4.48Å; M615-L641 HydrophobicContact SD-CD1 4.03Å; M615-E702 HydrophobicContact CE-CB 4.39Å; M615-V703 HydrophobicContact CE-CG2 4.28Å; M615-V703 HydrophobicContact SD-CG2 4.27Å
616	D	74.5	Confident	82	Confident	122 Å²	122	34 Å²	34	65%	0.652	21%	0.207	S	C	*	.	S	Bend	trans	-70.4	-37.3	-177.1	-63.3	-27.8	0	0	0	112.7	A637	D616-A637 WeakPolarHBondContact O-CA 3.19Å; D616-A637 VanDerWaalsContact O-CB 3.29Å; D616-A637 WeakPolarHBondContact O-CB 3.46Å
617	V	81.2	Confident	82.6	Confident	30 Å²	30	39.6 Å²	39.6	18%	0.182	24%	0.238	C	C	.	.			trans	-137.9	107	177.2	-177.1	0	0	0	0	109.4	P699	V617-P699 HydrophobicContact CG1-CG 4.22Å
618	F	87	Confident	83.3	Confident	2 Å²	2	38.1 Å²	38.1	1%	0.009	23%	0.231	C	C	.	.	S	Bend	trans	-94	-40.1	177.2	-174.3	-125.4	0	0	0	112.2	L533 I586 F594 M615 K636 L641 I664 I697 N698 P699	L533-F618 HydrophobicContact CD1-CE2 3.74Å; L533-F618 HydrophobicContact CD1-CZ 3.77Å; I586-F618 HydrophobicContact CD1-CE1 4.11Å; I586-F618 HydrophobicContact CG1-CE1 4.05Å; I586-F618 HydrophobicContact CG2-CE1 4.5Å; I586-F618 HydrophobicContact CG2-CZ 4.21Å; F594-F618 AromaticContact CE1-CE2 3.76Å; F594-F618 HydrophobicContact CE1-CE2 3.76Å; F594-F618 AromaticContact CZ-CE2 3.87Å; F594-F618 HydrophobicContact CZ-CE2 3.87Å; M615-F618 HydrophobicContact CE-CD2 4.18Å; M615-F618 HydrophobicContact SD-CD2 3.98Å; F618-K636 PolarHBondContact N-O 3.07Å; F618-K636 VanDerWaalsContact N-O 3.11Å; F618-L641 HydrophobicContact CD1-CD2 4.22Å; F618-L641 HydrophobicContact CD2-CD2 4.14Å; F618-L641 HydrophobicContact CE1-CD2 3.91Å; F618-L641 HydrophobicContact CE2-CD2 3.84Å; F618-L641 HydrophobicContact CG-CD2 4.33Å; F618-L641 HydrophobicContact CZ-CD2 3.7Å; F618-I664 HydrophobicContact CZ-CD1 4.37Å; F618-I697 HydrophobicContact CE1-CG2 4.48Å; F618-I697 HydrophobicContact CE2-CG2 4.09Å; F618-I697 HydrophobicContact CZ-CG2 3.97Å; F618-N698 PolarHBondContact O-N 2.95Å; F618-P699 WeakPolarHBondContact O-CD 2.92Å
619	T	89.7	Confident	84.2	Confident	2 Å²	2	39 Å²	39	1%	0.012	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	136.8	177.5	60.6	0	0	0	0	112.2	Y621 K636 V696 I697	T619-Y621 WeakPolarHBondContact OG1-CE1 3.49Å; T619-Y621 VanDerWaalsContact OG1-CZ 3.23Å; T619-Y621 PolarHBondContact OG1-OH 3.34Å; T619-K636 PolarHBondContact N-O 2.87Å; T619-K636 PolarHBondContact O-N 2.96Å; T619-K636 VanDerWaalsContact OG1-CB 3.24Å; T619-K636 WeakPolarHBondContact OG1-CB 3.44Å; T619-V696 CarbonylContact C-O 3.52Å; T619-V696 VanDerWaalsContact CA-O 3.23Å; T619-V696 WeakPolarHBondContact CA-O 3.44Å; T619-I697 HydrophobicContact CG2-CB 4.43Å; T619-I697 HydrophobicContact CG2-CG1 3.97Å
620	H	91.8	Very high	85.2	Confident	42 Å²	42	42.3 Å²	42.3	19%	0.194	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	136.1	165.9	-84.7	-54.8	0	0	0	110.7	V695 V696 P699	H620-V695 WeakPolarHBondContact O-CA 2.97Å; H620-V696 PolarHBondContact N-O 3.41Å; H620-V696 PolarHBondContact O-N 2.81Å; H620-P699 HydrophobicContact CB-CG 4.49Å; H620-P699 WeakPolarHBondContact CD2-CG 3.29Å
621	Y	93.2	Very high	86.2	Confident	1 Å²	1	43 Å²	43	0%	0.004	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	122	174.1	-51.8	-33.1	0	0	0	107.8	F582 S584 T619 G634 K636 Q679 L681 V695	F582-Y621 HydrophobicContact CE1-CD2 4.4Å; F582-Y621 HydrophobicContact CE1-CG 4.49Å; F582-Y621 HydrophobicContact CE2-CD1 4.28Å; F582-Y621 HydrophobicContact CE2-CE1 4Å; F582-Y621 AromaticContact CZ-CD1 3.72Å; F582-Y621 HydrophobicContact CZ-CD1 3.72Å; F582-Y621 AromaticContact CZ-CD2 3.8Å; F582-Y621 HydrophobicContact CZ-CD2 3.8Å; F582-Y621 AromaticContact CZ-CE1 3.79Å; F582-Y621 HydrophobicContact CZ-CE1 3.79Å; F582-Y621 AromaticContact CZ-CE2 3.86Å; F582-Y621 HydrophobicContact CZ-CE2 3.86Å; F582-Y621 AromaticContact CZ-CG 3.72Å; F582-Y621 HydrophobicContact CZ-CG 3.72Å; F582-Y621 AromaticContact CZ-CZ 3.85Å; S584-Y621 PolarHBondContact OG-OH 3.31Å; T619-Y621 WeakPolarHBondContact OG1-CE1 3.49Å; T619-Y621 VanDerWaalsContact OG1-CZ 3.23Å; T619-Y621 PolarHBondContact OG1-OH 3.34Å; Y621-G634 PolarHBondContact N-O 3.45Å; Y621-G634 CarbonylContact O-C 3.54Å; Y621-G634 PolarHBondContact O-N 3.23Å; Y621-K636 HydrophobicContact CE2-CB 3.78Å; Y621-K636 WeakPolarHBondContact OH-CB 3.46Å; Y621-Q679 PolarHBondContact OH-NE2 3.05Å; Y621-Q679 VanDerWaalsContact OH-NE2 3.16Å; Y621-Q679 PolarHBondContact OH-OE1 3.42Å; Y621-L681 WeakPolarHBondContact O-CD2 3.36Å; Y621-V695 HydrophobicContact CD1-CB 4.33Å; Y621-V695 HydrophobicContact CD1-CG1 3.8Å; Y621-V695 HydrophobicContact CD1-CG2 3.94Å; Y621-V695 HydrophobicContact CE1-CG1 3.73Å; Y621-V695 HydrophobicContact CE1-CG2 4.39Å
622	D	93.4	Very high	87	Confident	9 Å²	9	41.7 Å²	41.7	5%	0.048	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	139.1	-178.3	-73.4	-50.8	0	0	0	110.1	L624 K630 Q694	D622-L624 HydrophobicContact CB-CD2 4.05Å; D622-L624 HydrophobicContact CB-CG 4.45Å; D622-K630 VanDerWaalsContact OD1-CD 3.3Å; D622-K630 WeakPolarHBondContact OD1-CD 3.35Å; D622-K630 WeakPolarHBondContact OD1-CE 3.27Å; D622-K630 IonicContact OD1-NZ 3.94Å; D622-K630 PolarHBondContact OD1-NZ 2.04Å; D622-K630 WeakPolarHBondContact OD2-CE 3Å; D622-K630 IonicContact OD2-NZ 3.75Å; D622-K630 PolarHBondContact OD2-NZ 3.12Å; D622-Q694 HydrophobicContact CB-CB 4.35Å; D622-Q694 PolarHBondContact N-O 3.2Å; D622-Q694 PolarHBondContact O-N 2.86Å
623	L	94.1	Very high	87.4	Confident	2 Å²	2	43.2 Å²	43.2	1%	0.01	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	118.1	163.9	-165.2	67.6	0	0	0	107.7	V631 A632 L681 I683 V686 Y691 M693 C717	L623-V631 HydrophobicContact CB-CG2 3.97Å; L623-V631 HydrophobicContact CD2-CG2 3.97Å; L623-V631 HydrophobicContact CG-CG2 3.86Å; L623-V631 WeakPolarHBondContact O-CG2 2.99Å; L623-V631 PolarHBondContact O-N 2.99Å; L623-A632 HydrophobicContact CB-CB 3.97Å; L623-A632 PolarHBondContact N-O 3.03Å; L623-A632 PolarHBondContact O-N 3.46Å; L623-L681 HydrophobicContact CB-CD1 4.36Å; L623-I683 HydrophobicContact CD2-CG2 4.24Å; L623-V686 HydrophobicContact CD2-CG1 3.97Å; L623-V686 HydrophobicContact CD2-CG2 4.34Å; L623-Y691 HydrophobicContact CD1-CG 4.29Å; L623-Y691 HydrophobicContact CD2-CD1 4.46Å; L623-Y691 HydrophobicContact CD2-CD2 4.27Å; L623-Y691 HydrophobicContact CD2-CG 4.08Å; L623-Y691 HydrophobicContact CG-CD1 4.34Å; L623-Y691 HydrophobicContact CG-CG 4.02Å; L623-M693 HydrophobicContact CD1-CB 4.16Å; L623-C717 HydrophobicContact CD1-CB 4.19Å
624	L	92.8	Very high	87.6	Confident	21 Å²	21	42.7 Å²	42.7	11%	0.11	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	144.6	-175	-52.3	177.8	0	0	0	110.1	D622 K630 Y691 I692 Q694	D622-L624 HydrophobicContact CB-CD2 4.05Å; D622-L624 HydrophobicContact CB-CG 4.45Å; L624-K630 HydrophobicContact CD2-CB 4.32Å; L624-K630 HydrophobicContact CD2-CG 3.7Å; L624-Y691 CarbonylContact O-C 3.56Å; L624-Y691 WeakPolarHBondContact O-CA 3.4Å; L624-Y691 WeakPolarHBondContact O-CB 3.09Å; L624-I692 HydrophobicContact CB-CB 4.33Å; L624-I692 PolarHBondContact N-O 2.85Å; L624-I692 PolarHBondContact O-N 2.83Å; L624-Q694 HydrophobicContact CD1-CB 4.3Å
625	N	89.6	Confident	87.5	Confident	38 Å²	38	44.6 Å²	44.6	20%	0.203	26%	0.259	C	S	.	.			trans	-81.8	177.4	166.9	68.3	10.1	0	0	0	111.6	N627 G628 S629 V631	N625-N627 PolarHBondContact O-N 3.33Å; N625-N627 WeakPolarHBondContact OD1-CA 3.3Å; N625-N627 WeakPolarHBondContact OD1-CB 3.48Å; N625-N627 PolarHBondContact OD1-N 2.54Å; N625-G628 PolarHBondContact O-N 2.99Å; N625-G628 PolarHBondContact OD1-N 2.89Å; N625-G628 VanDerWaalsContact OD1-N 3.17Å; N625-S629 PolarHBondContact N-O 3.07Å; N625-S629 PolarHBondContact ND2-OG 3.39Å; N625-S629 PolarHBondContact OD1-N 2.82Å; N625-S629 PolarHBondContact OD1-O 3.39Å; N625-S629 PolarHBondContact OD1-OG 3.2Å; N625-V631 HydrophobicContact CB-CG1 3.91Å
626	A	81.4	Confident	87.3	Confident	71 Å²	71	44.3 Å²	44.3	59%	0.587	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-17	177.4	0	0	0	0	0	114.6
627	N	84.6	Confident	86.8	Confident	149 Å²	149	39.4 Å²	39.4	80%	0.797	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.9	1.1	176.4	-63.6	-7.6	0	0	0	112.4	N625 S629	N625-N627 PolarHBondContact O-N 3.33Å; N625-N627 WeakPolarHBondContact OD1-CA 3.3Å; N625-N627 WeakPolarHBondContact OD1-CB 3.48Å; N625-N627 PolarHBondContact OD1-N 2.54Å; N627-S629 VanDerWaalsContact C-N 3.32Å; N627-S629 PolarHBondContact O-N 3.26Å
628	G	84.9	Confident	85.8	Confident	50 Å²	50	38 Å²	38	52%	0.515	23%	0.225	S	C	.	.	S	Bend	trans	77.9	8.8	-177.9	0	0	0	0	0	114.8	N625	N625-G628 PolarHBondContact O-N 2.99Å; N625-G628 PolarHBondContact OD1-N 2.89Å; N625-G628 VanDerWaalsContact OD1-N 3.17Å
629	S	91	Very high	84.6	Confident	60 Å²	60	38.5 Å²	38.5	42%	0.42	23%	0.227	S	C	.	.			trans	-87.8	137.9	175.8	69.6	0	0	0	0	111.1	N625 N627 V631	N625-S629 PolarHBondContact N-O 3.07Å; N625-S629 PolarHBondContact ND2-OG 3.39Å; N625-S629 PolarHBondContact OD1-N 2.82Å; N625-S629 PolarHBondContact OD1-O 3.39Å; N625-S629 PolarHBondContact OD1-OG 3.2Å; N627-S629 VanDerWaalsContact C-N 3.32Å; N627-S629 PolarHBondContact O-N 3.26Å; S629-V631 PolarHBondContact O-N 3.2Å
630	K	92.7	Very high	84.1	Confident	105 Å²	105	39 Å²	39	46%	0.457	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	123.6	176	-59.1	-176.8	175.3	-144.9	0	111.2	D622 L624 E633	D622-K630 VanDerWaalsContact OD1-CD 3.3Å; D622-K630 WeakPolarHBondContact OD1-CD 3.35Å; D622-K630 WeakPolarHBondContact OD1-CE 3.27Å; D622-K630 IonicContact OD1-NZ 3.94Å; D622-K630 PolarHBondContact OD1-NZ 2.04Å; D622-K630 WeakPolarHBondContact OD2-CE 3Å; D622-K630 IonicContact OD2-NZ 3.75Å; D622-K630 PolarHBondContact OD2-NZ 3.12Å; L624-K630 HydrophobicContact CD2-CB 4.32Å; L624-K630 HydrophobicContact CD2-CG 3.7Å; K630-E633 IonicContact NZ-OE1 3.37Å; K630-E633 PolarHBondContact NZ-OE1 3.18Å; K630-E633 VanDerWaalsContact NZ-OE1 3.11Å
631	V	93.4	Very high	83.9	Confident	60 Å²	60	37 Å²	37	36%	0.364	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	-27.3	173.5	-64.7	0	0	0	0	112.5	L623 N625 S629 Y691	L623-V631 HydrophobicContact CB-CG2 3.97Å; L623-V631 HydrophobicContact CD2-CG2 3.97Å; L623-V631 HydrophobicContact CG-CG2 3.86Å; L623-V631 WeakPolarHBondContact O-CG2 2.99Å; L623-V631 PolarHBondContact O-N 2.99Å; N625-V631 HydrophobicContact CB-CG1 3.91Å; S629-V631 PolarHBondContact O-N 3.2Å; V631-Y691 HydrophobicContact CB-CE1 4.42Å; V631-Y691 HydrophobicContact CG1-CE1 4.24Å; V631-Y691 HydrophobicContact CG2-CD1 3.65Å; V631-Y691 HydrophobicContact CG2-CE1 3.7Å
632	A	91.5	Very high	83.8	Confident	11 Å²	11	39.7 Å²	39.7	9%	0.091	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	147	166.1	0	0	0	0	0	108.1	L623 V686	L623-A632 HydrophobicContact CB-CB 3.97Å; L623-A632 PolarHBondContact N-O 3.03Å; L623-A632 PolarHBondContact O-N 3.46Å; A632-V686 HydrophobicContact CB-CG2 3.77Å
633	E	89.2	Confident	83.9	Confident	102 Å²	102	39.6 Å²	39.6	48%	0.477	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	136.6	177.2	178.2	168.2	-137.8	0	0	107	K630	K630-E633 IonicContact NZ-OE1 3.37Å; K630-E633 PolarHBondContact NZ-OE1 3.18Å; K630-E633 VanDerWaalsContact NZ-OE1 3.11Å
634	G	83.6	Confident	83.8	Confident	5 Å²	5	41.1 Å²	41.1	5%	0.052	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	166.8	170.9	0	0	0	0	0	108.1	Y621	Y621-G634 PolarHBondContact N-O 3.45Å; Y621-G634 CarbonylContact O-C 3.54Å; Y621-G634 PolarHBondContact O-N 3.23Å
635	H	79.6	Confident	83.8	Confident	47 Å²	47	45.4 Å²	45.4	22%	0.218	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	163.2	174	63.4	-77.8	0	0	0	108.8	D561	D561-H635 PolarHBondContact O-CE1 2.87Å
636	K	74.8	Confident	83.7	Confident	2 Å²	2	44.8 Å²	44.8	1%	0.009	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	112.5	168.5	-164.1	66.4	172	-179.7	0	106.6	F618 T619 Y621 F639 Y672 D677 C678	F618-K636 PolarHBondContact N-O 3.07Å; F618-K636 VanDerWaalsContact N-O 3.11Å; T619-K636 PolarHBondContact N-O 2.87Å; T619-K636 PolarHBondContact O-N 2.96Å; T619-K636 VanDerWaalsContact OG1-CB 3.24Å; T619-K636 WeakPolarHBondContact OG1-CB 3.44Å; Y621-K636 HydrophobicContact CE2-CB 3.78Å; Y621-K636 WeakPolarHBondContact OH-CB 3.46Å; K636-F639 HydrophobicContact CD-CD2 4.1Å; K636-F639 HydrophobicContact CD-CE2 3.88Å; K636-Y672 VanDerWaalsContact CE-CD1 3.43Å; K636-Y672 HydrophobicContact CG-CD1 4.44Å; K636-Y672 HydrophobicContact CG-CE1 4.4Å; K636-D677 PolarHBondContact NZ-O 3.34Å; K636-C678 HydrophobicContact CD-CB 4.01Å; K636-C678 WeakPolarHBondContact CD-O 3.42Å
637	A	63.9	Low	83.7	Confident	18 Å²	18	44.3 Å²	44.3	15%	0.149	25%	0.246	C	C	.	.			trans	-57.2	145.4	158.2	0	0	0	0	0	108.1	D616 F639	D616-A637 WeakPolarHBondContact O-CA 3.19Å; D616-A637 VanDerWaalsContact O-CB 3.29Å; D616-A637 WeakPolarHBondContact O-CB 3.46Å; A637-F639 PolarHBondContact O-N 2.93Å
638	S	59.4	Low	83.2	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.25	C	S	.	.			trans	-60.3	115.4	174.8	62.3	0	0	0	0	107.5	H613 S614 M615	H613-S638 VanDerWaalsContact CA-O 3.32Å; H613-S638 WeakPolarHBondContact CA-O 3.3Å; H613-S638 WeakPolarHBondContact CB-O 3.39Å; H613-S638 PolarHBondContact CD2-O 3.34Å; H613-S638 VanDerWaalsContact CD2-O 3.31Å; S614-S638 PolarHBondContact N-OG 2.86Å; M615-S638 VanDerWaalsContact CA-OG 3.27Å; M615-S638 WeakPolarHBondContact CA-OG 3.35Å; M615-S638 WeakPolarHBondContact CB-OG 3.47Å; M615-S638 PolarHBondContact N-OG 2.86Å; M615-S638 WeakPolarHBondContact O-CB 3.11Å; M615-S638 PolarHBondContact O-N 3.44Å; M615-S638 PolarHBondContact O-OG 2.84Å
639	F	62.5	Low	82.5	Confident	14 Å²	14	47 Å²	47	6%	0.061	26%	0.259	C	S	.	.			trans	-67.9	-52.7	173.3	-87	-140	0	0	0	108.2	H609 H611 Y612 H613 K636 A637 Y672 D677 C678	H609-F639 HydrophobicContact CB-CD1 4.23Å; H609-F639 HydrophobicContact CB-CE1 4.14Å; H609-F639 AromaticContact CD2-CE1 3.44Å; H609-F639 VanDerWaalsContact CD2-CE1 3.44Å; H609-F639 WeakPolarHBondContact CD2-CE1 3.45Å; H609-F639 AromaticContact CD2-CZ 3.84Å; H609-F639 AromaticContact CE1-CE1 3.33Å; H609-F639 WeakPolarHBondContact CE1-CE1 3.23Å; H609-F639 AromaticContact CE1-CE2 3.63Å; H609-F639 AromaticContact CE1-CZ 2.91Å; H609-F639 WeakPolarHBondContact CE1-CZ 2.91Å; H609-F639 AromaticContact CG-CD1 3.87Å; H609-F639 AromaticContact CG-CE1 3.34Å; H609-F639 AromaticContact CG-CZ 3.78Å; H609-F639 AromaticContact ND1-CD1 3.87Å; H609-F639 AromaticContact ND1-CE1 3.26Å; H609-F639 VanDerWaalsContact ND1-CE1 3.26Å; H609-F639 WeakPolarHBondContact ND1-CE1 3.08Å; H609-F639 AromaticContact ND1-CE2 3.72Å; H609-F639 AromaticContact ND1-CZ 3.2Å; H609-F639 WeakPolarHBondContact ND1-CZ 3.34Å; H609-F639 AromaticContact NE2-CE1 3.45Å; H609-F639 WeakPolarHBondContact NE2-CE1 3.22Å; H609-F639 AromaticContact NE2-CZ 3.34Å; H609-F639 VanDerWaalsContact NE2-CZ 3.34Å; H609-F639 WeakPolarHBondContact NE2-CZ 3.2Å; H611-F639 PolarHBondContact CD2-O 3.46Å; H611-F639 AromaticContact CE1-CD1 3.7Å; H611-F639 VanDerWaalsContact NE2-CB 3.3Å; H611-F639 WeakPolarHBondContact NE2-CB 3.44Å; H611-F639 AromaticContact NE2-CD1 3.57Å; H611-F639 AromaticContact NE2-CG 3.72Å; H611-F639 PolarHBondContact NE2-O 3.09Å; Y612-F639 CarbonylContact C-O 3.51Å; H613-F639 PolarHBondContact CD2-O 2.88Å; K636-F639 HydrophobicContact CD-CD2 4.1Å; K636-F639 HydrophobicContact CD-CE2 3.88Å; A637-F639 PolarHBondContact O-N 2.93Å; F639-Y672 HydrophobicContact CB-CE1 3.63Å; F639-Y672 HydrophobicContact CD2-CE1 4.38Å; F639-Y672 HydrophobicContact CG-CE1 4.04Å; F639-Y672 PolarHBondContact N-OH 2.89Å; F639-D677 VanDerWaalsContact CZ-O 3.22Å; F639-D677 WeakPolarHBondContact CZ-O 3.34Å; F639-C678 HydrophobicContact CE2-CB 4.17Å; F639-C678 HydrophobicContact CZ-CB 4.3Å
640	C	79.2	Confident	81.8	Confident	11 Å²	11	47 Å²	47	7%	0.074	26%	0.256	C	S	.	.			trans	-165.4	125.8	-168.5	155.3	0	0	0	0	106.6	E642 C656 Y672	C640-E642 WeakPolarHBondContact SG-CG 3.44Å; C640-E642 PolarHBondContact SG-OE2 2.66Å; C640-E642 VanDerWaalsContact SG-OE2 3.4Å; C640-C656 WeakPolarHBondContact CA-SG 3.4Å; C640-C656 HydrophobicContact CB-CB 3.65Å; C640-C656 WeakPolarHBondContact CB-SG 3.1Å; C640-C656 WeakPolarHBondContact SG-CB 3.37Å; C640-C656 CovalentContact SG-SG 1.99Å; C640-C656 PolarHBondContact SG-SG 2.88Å; C640-Y672 PolarHBondContact N-OH 2.02Å; C640-Y672 VanDerWaalsContact N-OH 3.15Å; C640-Y672 PolarHBondContact O-OH 3.15Å
641	L	88.2	Confident	81.4	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	27%	0.265	C	S	.	.			trans	-93.7	108.2	169	-58.9	169.1	0	0	0	108.1	F594 P596 M615 F618 Q662 G663 I664 D670	F594-L641 HydrophobicContact CD1-CD1 4.08Å; F594-L641 HydrophobicContact CE1-CD1 3.77Å; F594-L641 HydrophobicContact CE1-CD2 4.48Å; P596-L641 HydrophobicContact CB-CD1 4.34Å; M615-L641 HydrophobicContact CG-CD1 4.48Å; M615-L641 HydrophobicContact SD-CD1 4.03Å; F618-L641 HydrophobicContact CD1-CD2 4.22Å; F618-L641 HydrophobicContact CD2-CD2 4.14Å; F618-L641 HydrophobicContact CE1-CD2 3.91Å; F618-L641 HydrophobicContact CE2-CD2 3.84Å; F618-L641 HydrophobicContact CG-CD2 4.33Å; F618-L641 HydrophobicContact CZ-CD2 3.7Å; L641-Q662 HydrophobicContact CB-CB 4.17Å; L641-Q662 VanDerWaalsContact N-OE1 3.16Å; L641-Q662 CarbonylContact O-C 3.47Å; L641-Q662 VanDerWaalsContact O-CA 3.26Å; L641-Q662 WeakPolarHBondContact O-CA 3.45Å; L641-Q662 WeakPolarHBondContact O-CB 3.33Å; L641-G663 CarbonylContact C-O 3.32Å; L641-G663 VanDerWaalsContact C-O 3.31Å; L641-G663 PolarHBondContact O-N 2.89Å; L641-I664 HydrophobicContact CD2-CD1 4.38Å; L641-D670 WeakPolarHBondContact CA-OD2 3.4Å
642	E	90.9	Very high	81.1	Confident	59 Å²	59	49.3 Å²	49.3	28%	0.276	27%	0.273	S	S	.	.			trans	-140.6	165.2	-179.8	69.5	179.7	-170.9	0	0	114	C640 T644 C656 G663 D670	C640-E642 WeakPolarHBondContact SG-CG 3.44Å; C640-E642 PolarHBondContact SG-OE2 2.66Å; C640-E642 VanDerWaalsContact SG-OE2 3.4Å; E642-T644 PolarHBondContact O-N 2.9Å; E642-C656 PolarHBondContact OE2-N 3.18Å; E642-G663 WeakPolarHBondContact CA-O 3.34Å; E642-G663 PolarHBondContact N-O 3.16Å; E642-D670 PolarHBondContact N-OD2 3.04Å; E642-D670 WeakPolarHBondContact O-CB 3.26Å
643	D	93.8	Very high	80.9	Confident	6 Å²	6	56.8 Å²	56.8	3%	0.032	30%	0.299	C	S	.	.			trans	-87.4	84.8	176	-62.9	-40.7	0	0	0	110.3	K652 R653 Y654 T665 C668	D643-K652 HydrophobicContact CB-CB 3.86Å; D643-K652 HydrophobicContact CB-CG 3.92Å; D643-K652 VanDerWaalsContact O-CD 3.26Å; D643-K652 WeakPolarHBondContact O-CD 3.08Å; D643-K652 WeakPolarHBondContact O-CE 3.32Å; D643-R653 WeakPolarHBondContact OD2-CA 3.29Å; D643-R653 PolarHBondContact OD2-N 3.15Å; D643-Y654 PolarHBondContact N-O 2.76Å; D643-Y654 WeakPolarHBondContact OD2-CD2 3.21Å; D643-Y654 PolarHBondContact OD2-N 3.18Å; D643-T665 WeakPolarHBondContact OD1-CB 3.21Å; D643-T665 PolarHBondContact OD1-N 2.62Å; D643-T665 PolarHBondContact OD1-OG1 3.38Å; D643-T665 WeakPolarHBondContact OD2-CB 3.42Å; D643-T665 PolarHBondContact OD2-OG1 2.85Å; D643-C668 HydrophobicContact CB-CB 4.17Å; D643-C668 WeakPolarHBondContact OD1-CB 3.47Å
644	T	92.5	Very high	81	Confident	34 Å²	34	52.4 Å²	52.4	21%	0.209	28%	0.278	C	S	.	.	S	Bend	trans	-62.6	-47.1	-179.6	-58.4	0	0	0	0	111.3	E642 K652 W669 L671	E642-T644 PolarHBondContact O-N 2.9Å; T644-K652 WeakPolarHBondContact O-CE 3.46Å; T644-K652 PolarHBondContact O-NZ 3.29Å; T644-W669 PolarHBondContact N-O 2.88Å; T644-L671 HydrophobicContact CG2-CB 3.89Å; T644-L671 PolarHBondContact OG1-N 3.14Å
645	E	93.4	Very high	81.2	Confident	112 Å²	112	58.1 Å²	58.1	52%	0.523	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	162.1	172.2	-76.2	-178.7	-174.7	0	0	109.3	C668 W669	E645-C668 WeakPolarHBondContact O-CA 3.24Å; E645-C668 WeakPolarHBondContact O-CB 3.45Å; E645-W669 HydrophobicContact CB-CD2 4.49Å; E645-W669 VanDerWaalsContact CB-CE2 3.49Å; E645-W669 HydrophobicContact CB-CH2 4.22Å; E645-W669 HydrophobicContact CB-CZ2 3.34Å; E645-W669 HydrophobicContact CG-CZ2 4.47Å; E645-W669 PolarHBondContact N-O 2.84Å; E645-W669 PolarHBondContact O-N 2.98Å
646	C	87	Confident	81.5	Confident	25 Å²	25	56.2 Å²	56.2	17%	0.169	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	159.2	-177.9	-56.1	0	0	0	0	110.7	V650 C668	C646-V650 HydrophobicContact CB-CB 3.96Å; C646-V650 HydrophobicContact CB-CG1 4.07Å; C646-V650 WeakPolarHBondContact CB-O 3.41Å; C646-C668 HydrophobicContact CB-CB 3.97Å; C646-C668 WeakPolarHBondContact CB-SG 3.37Å; C646-C668 WeakPolarHBondContact SG-CB 3.48Å; C646-C668 CovalentContact SG-SG 2.04Å; C646-C668 PolarHBondContact SG-SG 2.83Å
647	Q	80.8	Confident	81.9	Confident	60 Å²	60	58.4 Å²	58.4	28%	0.28	31%	0.314	S	S	.	.			trans	-58.7	156.2	169.4	-68.2	179.2	-10.3	0	0	111.3	G649 V650 G667 W669	Q647-G649 PolarHBondContact O-N 3.29Å; Q647-V650 PolarHBondContact O-N 3.35Å; Q647-G667 WeakPolarHBondContact CG-O 3.38Å; Q647-G667 PolarHBondContact N-O 2.79Å; Q647-W669 HydrophobicContact CG-CZ3 3.94Å
648	E	74.6	Confident	82.8	Confident	189 Å²	189	65.5 Å²	65.5	88%	0.883	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	130.6	-178.5	-166.8	175.4	-178.5	0	0	110.9
649	G	70.3	Confident	83.9	Confident	68 Å²	68	69 Å²	69	70%	0.701	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.8	-5	-176.9	0	0	0	0	0	115.6	Q647	Q647-G649 PolarHBondContact O-N 3.29Å
650	V	77.4	Confident	84.9	Confident	58 Å²	58	69.3 Å²	69.3	35%	0.352	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-101.6	130.3	174.8	-178.3	0	0	0	0	110.6	C646 Q647 T665	C646-V650 HydrophobicContact CB-CB 3.96Å; C646-V650 HydrophobicContact CB-CG1 4.07Å; C646-V650 WeakPolarHBondContact CB-O 3.41Å; Q647-V650 PolarHBondContact O-N 3.35Å; V650-T665 HydrophobicContact CG1-CG2 4.41Å
651	S	82.8	Confident	85.3	Confident	93 Å²	93	73.1 Å²	73.1	65%	0.65	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-90.9	135.2	177.4	62	0	0	0	0	112.2
652	K	87.8	Confident	85.4	Confident	122 Å²	122	73.5 Å²	73.5	53%	0.53	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-58.9	143.5	169.2	-61.8	175	174.6	-175	0	111.5	D643 T644	D643-K652 HydrophobicContact CB-CB 3.86Å; D643-K652 HydrophobicContact CB-CG 3.92Å; D643-K652 VanDerWaalsContact O-CD 3.26Å; D643-K652 WeakPolarHBondContact O-CD 3.08Å; D643-K652 WeakPolarHBondContact O-CE 3.32Å; T644-K652 WeakPolarHBondContact O-CE 3.46Å; T644-K652 PolarHBondContact O-NZ 3.29Å
653	R	88.1	Confident	85.4	Confident	167 Å²	167	70.7 Å²	70.7	63%	0.63	38%	0.38	S	S	*	.			trans	-131.5	-40.6	-177.5	-175.6	-177.5	-178.9	167.7	9.6	113.5	D593 D643 T665	D593-R653 IonicContact OD2-NH1 3.32Å; D593-R653 PolarHBondContact OD2-NH1 3.4Å; D593-R653 VanDerWaalsContact OD2-NH1 3.16Å; D643-R653 WeakPolarHBondContact OD2-CA 3.29Å; D643-R653 PolarHBondContact OD2-N 3.15Å; R653-T665 WeakPolarHBondContact CB-OG1 3.43Å
654	Y	90.8	Very high	85.4	Confident	11 Å²	11	70.4 Å²	70.4	4%	0.043	38%	0.378	C	S	.	.			trans	-98	134.7	-175.9	-59.1	-71.9	0	0	0	110.4	D593 K595 D643 D661 G663 T665	D593-Y654 HydrophobicContact CB-CE2 3.85Å; D593-Y654 WeakPolarHBondContact CB-OH 3.46Å; D593-Y654 WeakPolarHBondContact OD2-CE2 3.43Å; D593-Y654 PolarHBondContact OD2-OH 3.16Å; K595-Y654 WeakPolarHBondContact CE-OH 3.29Å; K595-Y654 PolarHBondContact NZ-OH 3.3Å; D643-Y654 PolarHBondContact N-O 2.76Å; D643-Y654 WeakPolarHBondContact OD2-CD2 3.21Å; D643-Y654 PolarHBondContact OD2-N 3.18Å; Y654-D661 HydrophobicContact CD1-CB 4.16Å; Y654-D661 HydrophobicContact CE1-CB 4.43Å; Y654-G663 WeakPolarHBondContact CB-O 3.28Å; Y654-G663 VanDerWaalsContact CD2-C 3.42Å; Y654-G663 WeakPolarHBondContact CD2-O 3.38Å; Y654-T665 VanDerWaalsContact CD2-OG1 3.22Å; Y654-T665 WeakPolarHBondContact CD2-OG1 3.38Å; Y654-T665 VanDerWaalsContact CE2-OG1 3.23Å; Y654-T665 WeakPolarHBondContact CE2-OG1 3.31Å
655	E	88.4	Confident	85.2	Confident	124 Å²	124	69.5 Å²	69.5	58%	0.579	37%	0.373	S	S	*	.			trans	-150.1	129.5	-179.4	-174.4	178.6	-173.1	0	0	108	A657 G660 D661	E655-A657 HydrophobicContact CG-CB 4.03Å; E655-G660 CarbonylContact O-C 3.6Å; E655-G660 VanDerWaalsContact O-CA 3.31Å; E655-G660 WeakPolarHBondContact O-CA 3.04Å; E655-D661 PolarHBondContact N-O 3.08Å
656	C	84.8	Confident	85	Confident	8 Å²	8	66.2 Å²	66.2	5%	0.054	36%	0.36	C	S	.	.			trans	-82.6	-17.2	-175.3	-60.6	0	0	0	0	113.8	C640 E642 F659 Q662	C640-C656 WeakPolarHBondContact CA-SG 3.4Å; C640-C656 HydrophobicContact CB-CB 3.65Å; C640-C656 WeakPolarHBondContact CB-SG 3.1Å; C640-C656 WeakPolarHBondContact SG-CB 3.37Å; C640-C656 CovalentContact SG-SG 1.99Å; C640-C656 PolarHBondContact SG-SG 2.88Å; E642-C656 PolarHBondContact OE2-N 3.18Å; C656-F659 PolarHBondContact O-N 2.88Å; C656-Q662 VanDerWaalsContact SG-CD 3.55Å
657	A	82.9	Confident	84.9	Confident	47 Å²	47	65.2 Å²	65.2	39%	0.388	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-54.9	144.7	177.2	0	0	0	0	0	110.8	E655 F659 G660	E655-A657 HydrophobicContact CG-CB 4.03Å; A657-F659 PolarHBondContact O-N 2.95Å; A657-G660 PolarHBondContact O-N 2.97Å; A657-G660 VanDerWaalsContact O-N 3.1Å
658	N	83.6	Confident	85.4	Confident	168 Å²	168	62.4 Å²	62.4	90%	0.898	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	56.9	31.9	177.2	-52.9	-51.5	0	0	0	115	G660	N658-G660 PolarHBondContact O-N 2.84Å
659	F	82.3	Confident	86.3	Confident	74 Å²	74	54.9 Å²	54.9	33%	0.325	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	58.9	36.9	-177.8	-158.9	-139.3	0	0	0	112.4	R600 W603 Y612 C656 A657	R600-F659 HydrophobicContact CB-CE1 4.27Å; R600-F659 HydrophobicContact CB-CZ 3.87Å; R600-F659 PolarHBondContact NH1-O 3.41Å; R600-F659 VanDerWaalsContact NH1-O 3.09Å; W603-F659 HydrophobicContact CE3-CD2 4.13Å; W603-F659 AromaticContact CE3-CE2 3.68Å; W603-F659 HydrophobicContact CE3-CE2 3.68Å; W603-F659 HydrophobicContact CE3-CZ 4.48Å; W603-F659 HydrophobicContact CZ3-CD2 4.36Å; W603-F659 HydrophobicContact CZ3-CE2 4.26Å; Y612-F659 HydrophobicContact CD1-CD2 4.37Å; Y612-F659 AromaticContact CD1-CE2 3.74Å; Y612-F659 HydrophobicContact CD1-CE2 3.74Å; Y612-F659 AromaticContact CD2-CD2 3.11Å; Y612-F659 HydrophobicContact CD2-CD2 3.11Å; Y612-F659 AromaticContact CD2-CE2 3.36Å; Y612-F659 HydrophobicContact CD2-CE2 3.36Å; Y612-F659 HydrophobicContact CD2-CG 4.14Å; Y612-F659 AromaticContact CE1-CE2 3.83Å; Y612-F659 HydrophobicContact CE1-CE2 3.83Å; Y612-F659 HydrophobicContact CE1-CZ 4.35Å; Y612-F659 AromaticContact CE2-CD2 3.32Å; Y612-F659 HydrophobicContact CE2-CD2 3.32Å; Y612-F659 AromaticContact CE2-CE2 3.46Å; Y612-F659 HydrophobicContact CE2-CE2 3.46Å; Y612-F659 VanDerWaalsContact CE2-CE2 3.46Å; Y612-F659 HydrophobicContact CE2-CG 4.01Å; Y612-F659 HydrophobicContact CE2-CZ 4.26Å; Y612-F659 AromaticContact CG-CD2 3.7Å; Y612-F659 HydrophobicContact CG-CD2 3.7Å; Y612-F659 AromaticContact CG-CE2 3.5Å; Y612-F659 HydrophobicContact CG-CE2 3.5Å; Y612-F659 VanDerWaalsContact CG-CE2 3.5Å; Y612-F659 AromaticContact CZ-CE2 3.7Å; C656-F659 PolarHBondContact O-N 2.88Å; A657-F659 PolarHBondContact O-N 2.95Å
660	G	82.9	Confident	87.4	Confident	20 Å²	20	51.9 Å²	51.9	21%	0.206	27%	0.272	C	S	.	.			trans	-63.9	167.4	174.5	0	0	0	0	0	112.9	W603 E655 A657 N658	W603-G660 WeakPolarHBondContact CZ3-O 3.43Å; E655-G660 CarbonylContact O-C 3.6Å; E655-G660 VanDerWaalsContact O-CA 3.31Å; E655-G660 WeakPolarHBondContact O-CA 3.04Å; A657-G660 PolarHBondContact O-N 2.97Å; A657-G660 VanDerWaalsContact O-N 3.1Å; N658-G660 PolarHBondContact O-N 2.84Å
661	D	87.7	Confident	88.2	Confident	91 Å²	91	51.7 Å²	51.7	49%	0.487	27%	0.269	S	S	.	.			trans	-69	138.6	174.8	-78.3	-39.9	0	0	0	110.3	R600 Y654 E655	R600-D661 IonicContact CZ-OD1 2.78Å; R600-D661 VanDerWaalsContact CZ-OD1 3.28Å; R600-D661 IonicContact NE-OD1 3.76Å; R600-D661 PolarHBondContact NE-OD1 2.93Å; R600-D661 VanDerWaalsContact NE-OD1 3.12Å; R600-D661 IonicContact NH2-OD1 2.58Å; R600-D661 PolarHBondContact NH2-OD1 3.18Å; R600-D661 IonicContact NH2-OD2 3.34Å; R600-D661 PolarHBondContact NH2-OD2 2.91Å; Y654-D661 HydrophobicContact CD1-CB 4.16Å; Y654-D661 HydrophobicContact CE1-CB 4.43Å; E655-D661 PolarHBondContact N-O 3.08Å
662	Q	89.9	Confident	88.5	Confident	7 Å²	7	47.8 Å²	47.8	3%	0.033	24%	0.24	C	C	.	.			trans	-105.4	143.8	-179.1	-64.8	-162.8	17.2	0	0	111.5	P596 W603 Y612 S614 L641 C656	P596-Q662 VanDerWaalsContact CD-O 3.3Å; P596-Q662 WeakPolarHBondContact CD-O 3.41Å; P596-Q662 HydrophobicContact CG-CB 4.43Å; W603-Q662 HydrophobicContact CH2-CB 3.92Å; W603-Q662 HydrophobicContact CH2-CG 3.77Å; W603-Q662 HydrophobicContact CZ2-CB 4.24Å; W603-Q662 HydrophobicContact CZ2-CG 4.43Å; W603-Q662 HydrophobicContact CZ3-CG 3.86Å; Y612-Q662 PolarHBondContact O-NE2 2.99Å; S614-Q662 PolarHBondContact OG-OE1 3.36Å; L641-Q662 HydrophobicContact CB-CB 4.17Å; L641-Q662 VanDerWaalsContact N-OE1 3.16Å; L641-Q662 CarbonylContact O-C 3.47Å; L641-Q662 VanDerWaalsContact O-CA 3.26Å; L641-Q662 WeakPolarHBondContact O-CA 3.45Å; L641-Q662 WeakPolarHBondContact O-CB 3.33Å; C656-Q662 VanDerWaalsContact SG-CD 3.55Å
663	G	91.6	Very high	88.8	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.239	C	C	.	.			trans	163.6	176.1	179.5	0	0	0	0	0	111.7	F594 L641 E642 Y654	F594-G663 CarbonylContact O-C 3.58Å; F594-G663 WeakPolarHBondContact O-CA 3.39Å; L641-G663 CarbonylContact C-O 3.32Å; L641-G663 VanDerWaalsContact C-O 3.31Å; L641-G663 PolarHBondContact O-N 2.89Å; E642-G663 WeakPolarHBondContact CA-O 3.34Å; E642-G663 PolarHBondContact N-O 3.16Å; Y654-G663 WeakPolarHBondContact CB-O 3.28Å; Y654-G663 VanDerWaalsContact CD2-C 3.42Å; Y654-G663 WeakPolarHBondContact CD2-O 3.38Å
664	I	93	Very high	88.9	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-124	116.1	173.5	-50.6	176.3	0	0	0	107.6	L533 I586 N588 D593 F594 F618 L641 D670	L533-I664 HydrophobicContact CD2-CD1 4.26Å; I586-I664 HydrophobicContact CG2-CD1 4.37Å; N588-I664 HydrophobicContact CB-CB 4.2Å; N588-I664 HydrophobicContact CB-CG2 3.69Å; N588-I664 PolarHBondContact ND2-O 3.45Å; D593-I664 CarbonylContact C-O 3.59Å; D593-I664 WeakPolarHBondContact CA-O 3.43Å; F594-I664 HydrophobicContact CB-CB 4.26Å; F594-I664 PolarHBondContact N-O 3.08Å; F594-I664 PolarHBondContact O-N 2.9Å; F618-I664 HydrophobicContact CZ-CD1 4.37Å; L641-I664 HydrophobicContact CD2-CD1 4.38Å; I664-D670 HydrophobicContact CD1-CB 3.71Å; I664-D670 HydrophobicContact CG1-CB 4.11Å
665	T	89.8	Confident	88.9	Confident	16 Å²	16	46.1 Å²	46.1	10%	0.098	24%	0.238	C	C	.	.			trans	-67.7	147.5	179.5	-60.5	0	0	0	0	110.5	D643 V650 R653 Y654 G667 C668	D643-T665 WeakPolarHBondContact OD1-CB 3.21Å; D643-T665 PolarHBondContact OD1-N 2.62Å; D643-T665 PolarHBondContact OD1-OG1 3.38Å; D643-T665 WeakPolarHBondContact OD2-CB 3.42Å; D643-T665 PolarHBondContact OD2-OG1 2.85Å; V650-T665 HydrophobicContact CG1-CG2 4.41Å; R653-T665 WeakPolarHBondContact CB-OG1 3.43Å; Y654-T665 VanDerWaalsContact CD2-OG1 3.22Å; Y654-T665 WeakPolarHBondContact CD2-OG1 3.38Å; Y654-T665 VanDerWaalsContact CE2-OG1 3.23Å; Y654-T665 WeakPolarHBondContact CE2-OG1 3.31Å; T665-G667 PolarHBondContact O-N 2.87Å; T665-C668 WeakPolarHBondContact O-CB 3.3Å; T665-C668 PolarHBondContact O-N 2.78Å
666	V	88.8	Confident	88.8	Confident	43 Å²	43	42.2 Å²	42.2	26%	0.261	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	128.1	174.6	179.8	0	0	0	0	110.5	G590 A592 D593 C668	G590-V666 VanDerWaalsContact O-CG1 3.24Å; G590-V666 WeakPolarHBondContact O-CG1 3.36Å; A592-V666 WeakPolarHBondContact O-CG2 3.49Å; D593-V666 PolarHBondContact OD1-N 3.03Å; V666-C668 VanDerWaalsContact C-N 3.27Å
667	G	85.3	Confident	88.9	Confident	4 Å²	4	43.5 Å²	43.5	4%	0.041	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.4	5	-177.5	0	0	0	0	0	114.4	N588 Q647 T665	N588-G667 PolarHBondContact O-N 2.9Å; Q647-G667 WeakPolarHBondContact CG-O 3.38Å; Q647-G667 PolarHBondContact N-O 2.79Å; T665-G667 PolarHBondContact O-N 2.87Å
668	C	90.4	Very high	89.1	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	168.8	170.9	-56.1	0	0	0	0	111.5	N588 D643 E645 C646 T665 V666	N588-C668 PolarHBondContact N-O 2.66Å; D643-C668 HydrophobicContact CB-CB 4.17Å; D643-C668 WeakPolarHBondContact OD1-CB 3.47Å; E645-C668 WeakPolarHBondContact O-CA 3.24Å; E645-C668 WeakPolarHBondContact O-CB 3.45Å; C646-C668 HydrophobicContact CB-CB 3.97Å; C646-C668 WeakPolarHBondContact CB-SG 3.37Å; C646-C668 WeakPolarHBondContact SG-CB 3.48Å; C646-C668 CovalentContact SG-SG 2.04Å; C646-C668 PolarHBondContact SG-SG 2.83Å; T665-C668 WeakPolarHBondContact O-CB 3.3Å; T665-C668 PolarHBondContact O-N 2.78Å; V666-C668 VanDerWaalsContact C-N 3.27Å
669	W	94.3	Very high	89.5	Confident	31 Å²	31	33.3 Å²	33.3	12%	0.117	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	153.7	173.1	57.6	80.4	0	0	0	112.1	Q585 I586 H587 T644 E645 Q647	Q585-W669 HydrophobicContact CG-CB 3.96Å; Q585-W669 HydrophobicContact CG-CG 3.77Å; Q585-W669 VanDerWaalsContact NE2-CD1 3.31Å; Q585-W669 VanDerWaalsContact NE2-NE1 3.11Å; I586-W669 CarbonylContact O-C 3.55Å; I586-W669 WeakPolarHBondContact O-CA 3.3Å; I586-W669 VanDerWaalsContact O-CB 3.24Å; I586-W669 WeakPolarHBondContact O-CB 3.41Å; H587-W669 HydrophobicContact CB-CB 4.42Å; H587-W669 AromaticContact CE1-CD2 3.56Å; H587-W669 AromaticContact CE1-CE3 3.29Å; H587-W669 AromaticContact CE1-CG 3.87Å; H587-W669 AromaticContact ND1-CD2 3.97Å; H587-W669 AromaticContact ND1-CE3 3.45Å; T644-W669 PolarHBondContact N-O 2.88Å; E645-W669 HydrophobicContact CB-CD2 4.49Å; E645-W669 VanDerWaalsContact CB-CE2 3.49Å; E645-W669 HydrophobicContact CB-CH2 4.22Å; E645-W669 HydrophobicContact CB-CZ2 3.34Å; E645-W669 HydrophobicContact CG-CZ2 4.47Å; E645-W669 PolarHBondContact N-O 2.84Å; E645-W669 PolarHBondContact O-N 2.98Å; Q647-W669 HydrophobicContact CG-CZ3 3.94Å
670	D	93.9	Very high	90	Very high	5 Å²	5	29.9 Å²	29.9	3%	0.027	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	125.4	173.1	-168.4	-2.9	0	0	0	109.5	Q585 I586 L641 E642 I664 Y672	Q585-D670 WeakPolarHBondContact CA-O 3.33Å; I586-D670 PolarHBondContact N-O 2.81Å; I586-D670 PolarHBondContact O-N 2.85Å; L641-D670 WeakPolarHBondContact CA-OD2 3.4Å; E642-D670 PolarHBondContact N-OD2 3.04Å; E642-D670 WeakPolarHBondContact O-CB 3.26Å; I664-D670 HydrophobicContact CD1-CB 3.71Å; I664-D670 HydrophobicContact CG1-CB 4.11Å; D670-Y672 HydrophobicContact CB-CE2 4.5Å; D670-Y672 VanDerWaalsContact OD2-CE2 3.27Å; D670-Y672 WeakPolarHBondContact OD2-CE2 3.46Å
671	L	92.9	Very high	90.5	Very high	55 Å²	55	29 Å²	29	29%	0.288	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	110	-174.8	173.9	66.3	0	0	0	111.4	L539 Q585 T644 R673	L539-L671 HydrophobicContact CD2-CD1 3.7Å; Q585-L671 HydrophobicContact CB-CD1 3.91Å; Q585-L671 HydrophobicContact CG-CD1 4.46Å; T644-L671 HydrophobicContact CG2-CB 3.89Å; T644-L671 PolarHBondContact OG1-N 3.14Å; L671-R673 HydrophobicContact CD2-CG 4.03Å; L671-R673 HydrophobicContact CG-CG 4Å
672	Y	90.5	Very high	90.9	Very high	11 Å²	11	24.9 Å²	24.9	4%	0.043	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	97.4	168	-72.5	-101.2	0	0	0	109.7	S583 S584 I586 K636 F639 C640 D670 I676	S583-Y672 CarbonylContact C-O 3.59Å; S583-Y672 VanDerWaalsContact CA-O 3.25Å; S583-Y672 WeakPolarHBondContact CA-O 3.42Å; S584-Y672 PolarHBondContact N-O 2.98Å; S584-Y672 PolarHBondContact O-N 2.94Å; I586-Y672 HydrophobicContact CD1-CD2 4.03Å; K636-Y672 VanDerWaalsContact CE-CD1 3.43Å; K636-Y672 HydrophobicContact CG-CD1 4.44Å; K636-Y672 HydrophobicContact CG-CE1 4.4Å; F639-Y672 HydrophobicContact CB-CE1 3.63Å; F639-Y672 HydrophobicContact CD2-CE1 4.38Å; F639-Y672 HydrophobicContact CG-CE1 4.04Å; F639-Y672 PolarHBondContact N-OH 2.89Å; C640-Y672 PolarHBondContact N-OH 2.02Å; C640-Y672 VanDerWaalsContact N-OH 3.15Å; C640-Y672 PolarHBondContact O-OH 3.15Å; D670-Y672 HydrophobicContact CB-CE2 4.5Å; D670-Y672 VanDerWaalsContact OD2-CE2 3.27Å; D670-Y672 WeakPolarHBondContact OD2-CE2 3.46Å; Y672-I676 HydrophobicContact CD1-CD1 3.62Å; Y672-I676 HydrophobicContact CG-CD1 4.17Å
673	R	92.3	Very high	91.1	Very high	133 Å²	133	24.6 Å²	24.6	50%	0.502	12%	0.118	S	C	.	.			trans	-68.6	148.8	-178.3	-57.1	-166.4	-45.8	-124.3	1.6	112.6	L671 D675 I676	L671-R673 HydrophobicContact CD2-CG 4.03Å; L671-R673 HydrophobicContact CG-CG 4Å; R673-D675 WeakPolarHBondContact CB-OD1 3.11Å; R673-D675 IonicContact CZ-OD1 3.47Å; R673-D675 IonicContact CZ-OD2 2.88Å; R673-D675 IonicContact NE-OD1 3.83Å; R673-D675 PolarHBondContact NE-OD1 2.67Å; R673-D675 IonicContact NE-OD2 3.53Å; R673-D675 IonicContact NH2-OD1 3.76Å; R673-D675 IonicContact NH2-OD2 3.97Å; R673-D675 PolarHBondContact NH2-OD2 3.09Å; R673-D675 PolarHBondContact O-N 2.97Å; R673-I676 HydrophobicContact CB-CG2 4.49Å; R673-I676 WeakPolarHBondContact O-CG1 3.15Å; R673-I676 PolarHBondContact O-N 3.45Å
674	H	92	Very high	91.3	Very high	62 Å²	62	27 Å²	27	29%	0.287	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-21.3	-179.2	60	64	0	0	0	116	Y545 R581 S583	Y545-H674 HydrophobicContact CE1-CB 3.88Å; Y545-H674 AromaticContact CE1-CG 3.67Å; Y545-H674 AromaticContact CE1-ND1 3.56Å; Y545-H674 AromaticContact CZ-ND1 3.86Å; Y545-H674 PolarHBondContact OH-ND1 3.26Å; R581-H674 WeakPolarHBondContact CD-O 3.04Å; R581-H674 PolarHBondContact NH1-O 3.33Å; S583-H674 WeakPolarHBondContact OG-CB 3.49Å; S583-H674 PolarHBondContact OG-CD2 2.93Å; S583-H674 VanDerWaalsContact OG-CD2 3.29Å; S583-H674 PolarHBondContact OG-N 2.03Å
675	D	89.8	Confident	91.3	Very high	69 Å²	69	31.6 Å²	31.6	37%	0.369	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-17.2	-175.8	60.6	-48.2	0	0	0	113.9	R673	R673-D675 WeakPolarHBondContact CB-OD1 3.11Å; R673-D675 IonicContact CZ-OD1 3.47Å; R673-D675 IonicContact CZ-OD2 2.88Å; R673-D675 IonicContact NE-OD1 3.83Å; R673-D675 PolarHBondContact NE-OD1 2.67Å; R673-D675 IonicContact NE-OD2 3.53Å; R673-D675 IonicContact NH2-OD1 3.76Å; R673-D675 IonicContact NH2-OD2 3.97Å; R673-D675 PolarHBondContact NH2-OD2 3.09Å; R673-D675 PolarHBondContact O-N 2.97Å
676	I	87.2	Confident	91.5	Very high	43 Å²	43	31.6 Å²	31.6	22%	0.221	16%	0.158	C	C	.	.	S	Bend	trans	-73.1	156.6	-179.6	76.2	-166.3	0	0	0	111.2	R581 Y672 R673 Q679	R581-I676 PolarHBondContact NH1-O 3.23Å; Y672-I676 HydrophobicContact CD1-CD1 3.62Å; Y672-I676 HydrophobicContact CG-CD1 4.17Å; R673-I676 HydrophobicContact CB-CG2 4.49Å; R673-I676 WeakPolarHBondContact O-CG1 3.15Å; R673-I676 PolarHBondContact O-N 3.45Å; I676-Q679 HydrophobicContact CD1-CB 4.11Å; I676-Q679 HydrophobicContact CD1-CG 4.36Å; I676-Q679 HydrophobicContact CG1-CB 3.51Å; I676-Q679 HydrophobicContact CG1-CG 4.18Å; I676-Q679 WeakPolarHBondContact O-CB 3.49Å
677	D	85.9	Confident	91.8	Very high	35 Å²	35	37.2 Å²	37.2	19%	0.187	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	151.9	178.4	-81.3	-13.6	0	0	0	111.9	R549 K636 F639 Q679 W680	R549-D677 IonicContact CZ-OD1 2.76Å; R549-D677 IonicContact NH1-OD1 2.75Å; R549-D677 IonicContact NH2-OD1 3.6Å; R549-D677 PolarHBondContact NH2-OD1 2.8Å; R549-D677 IonicContact NH2-OD2 3.65Å; K636-D677 PolarHBondContact NZ-O 3.34Å; F639-D677 VanDerWaalsContact CZ-O 3.22Å; F639-D677 WeakPolarHBondContact CZ-O 3.34Å; D677-Q679 PolarHBondContact O-N 3.32Å; D677-W680 HydrophobicContact CB-CH2 4.16Å; D677-W680 HydrophobicContact CB-CZ3 4.26Å
678	C	86.3	Confident	92.2	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.007	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.3	4.3	-176	-55.9	0	0	0	0	116.1	E560 C562 K636 F639 W680	E560-C678 PolarHBondContact OE2-SG 3.08Å; C562-C678 HydrophobicContact CB-CB 3.62Å; C562-C678 WeakPolarHBondContact CB-SG 3.48Å; C562-C678 WeakPolarHBondContact SG-CB 3.33Å; C562-C678 CovalentContact SG-SG 2.02Å; C562-C678 PolarHBondContact SG-SG 3.33Å; K636-C678 HydrophobicContact CD-CB 4.01Å; K636-C678 WeakPolarHBondContact CD-O 3.42Å; F639-C678 HydrophobicContact CE2-CB 4.17Å; F639-C678 HydrophobicContact CZ-CB 4.3Å; C678-W680 PolarHBondContact O-N 3.01Å; C678-W680 VanDerWaalsContact O-N 3.14Å
679	Q	92.4	Very high	92.3	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.215	C	C	.	.			trans	-90.2	59.8	176.2	-167.2	61.2	29.3	0	0	110.8	F582 S584 Y621 I676 D677	F582-Q679 WeakPolarHBondContact O-CG 3.43Å; F582-Q679 PolarHBondContact O-NE2 2.99Å; F582-Q679 VanDerWaalsContact O-NE2 3.16Å; S584-Q679 PolarHBondContact OG-NE2 3.28Å; Y621-Q679 PolarHBondContact OH-NE2 3.05Å; Y621-Q679 VanDerWaalsContact OH-NE2 3.16Å; Y621-Q679 PolarHBondContact OH-OE1 3.42Å; I676-Q679 HydrophobicContact CD1-CB 4.11Å; I676-Q679 HydrophobicContact CD1-CG 4.36Å; I676-Q679 HydrophobicContact CG1-CB 3.51Å; I676-Q679 HydrophobicContact CG1-CG 4.18Å; I676-Q679 WeakPolarHBondContact O-CB 3.49Å; D677-Q679 PolarHBondContact O-N 3.32Å
680	W	92.6	Very high	92.1	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.008	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	169.1	-177.1	58.2	67.2	0	0	0	113.8	L554 A557 C562 L563 L579 L580 R581 D677 C678	L554-W680 HydrophobicContact CD2-CH2 3.76Å; L554-W680 HydrophobicContact CD2-CZ2 4.02Å; A557-W680 HydrophobicContact CB-CH2 3.69Å; A557-W680 HydrophobicContact CB-CZ2 3.46Å; A557-W680 VanDerWaalsContact CB-CZ2 3.46Å; C562-W680 HydrophobicContact CB-CZ2 4.43Å; C562-W680 PolarHBondContact O-NE1 3.09Å; L563-W680 HydrophobicContact CD2-CZ2 3.97Å; L579-W680 HydrophobicContact CB-CB 4.09Å; L579-W680 HydrophobicContact CB-CD2 4.42Å; L579-W680 HydrophobicContact CB-CG 4.08Å; L579-W680 HydrophobicContact CD1-CD2 3.83Å; L579-W680 HydrophobicContact CD1-CE3 3.98Å; L579-W680 HydrophobicContact CD1-CG 4.32Å; L579-W680 HydrophobicContact CD1-CH2 4.19Å; L579-W680 HydrophobicContact CD1-CZ2 4.08Å; L579-W680 HydrophobicContact CD1-CZ3 4.14Å; L579-W680 HydrophobicContact CD2-CD2 4.31Å; L579-W680 HydrophobicContact CD2-CG 4.13Å; L579-W680 HydrophobicContact CG-CD2 4.41Å; L579-W680 HydrophobicContact CG-CG 4.4Å; L580-W680 CarbonylContact O-C 3.54Å; L580-W680 WeakPolarHBondContact O-CA 3.5Å; L580-W680 VanDerWaalsContact O-CB 3.28Å; L580-W680 WeakPolarHBondContact O-CB 3.46Å; R581-W680 HydrophobicContact CG-CB 3.97Å; R581-W680 VanDerWaalsContact NH1-CE3 3.33Å; D677-W680 HydrophobicContact CB-CH2 4.16Å; D677-W680 HydrophobicContact CB-CZ3 4.26Å; C678-W680 PolarHBondContact O-N 3.01Å; C678-W680 VanDerWaalsContact O-N 3.14Å
681	L	94.9	Very high	92	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	125.6	157.3	-81.6	162.1	0	0	0	109.3	L580 Y621 L623 I683 M693	L580-L681 HydrophobicContact CB-CB 4.13Å; L580-L681 HydrophobicContact CD2-CB 4.37Å; L580-L681 HydrophobicContact CD2-CD1 4.19Å; L580-L681 PolarHBondContact N-O 2.02Å; L580-L681 PolarHBondContact O-N 3.22Å; Y621-L681 WeakPolarHBondContact O-CD2 3.36Å; L623-L681 HydrophobicContact CB-CD1 4.36Å; L681-I683 HydrophobicContact CB-CG2 4.2Å; L681-I683 PolarHBondContact O-N 2.97Å; L681-M693 HydrophobicContact CD1-CE 4.27Å; L681-M693 HydrophobicContact CD1-CG 4.18Å; L681-M693 HydrophobicContact CD1-SD 4.44Å
682	D	94.8	Very high	92	Very high	5 Å²	5	43.2 Å²	43.2	3%	0.027	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	106	172.8	-174	-16.8	0	0	0	109.8	S564 R577 L579 T684	S564-D682 PolarHBondContact N-OD2 2.92Å; R577-D682 IonicContact CZ-OD1 3.09Å; R577-D682 IonicContact CZ-OD2 2.7Å; R577-D682 IonicContact NE-OD1 3.83Å; R577-D682 PolarHBondContact NE-OD1 2.89Å; R577-D682 IonicContact NE-OD2 3.59Å; R577-D682 PolarHBondContact NE-OD2 3.1Å; R577-D682 IonicContact NH2-OD1 3.44Å; R577-D682 PolarHBondContact NH2-OD1 2.04Å; R577-D682 VanDerWaalsContact NH2-OD1 3.09Å; R577-D682 IonicContact NH2-OD2 2.85Å; R577-D682 PolarHBondContact NH2-OD2 3.25Å; L579-D682 HydrophobicContact CD2-CB 4.1Å; D682-T684 VanDerWaalsContact OD1-CB 3.29Å; D682-T684 WeakPolarHBondContact OD1-CB 3.43Å; D682-T684 PolarHBondContact OD1-N 2.7Å; D682-T684 VanDerWaalsContact OD1-N 3.12Å; D682-T684 PolarHBondContact OD1-OG1 2.75Å
683	I	95.4	Very high	92.2	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	22%	0.219	C	C	.	.			trans	-105.2	17.6	-174.6	59.3	159.7	0	0	0	112.4	I546 R578 L580 L623 L681 D685 V686 Y719	I546-I683 HydrophobicContact CD1-CD1 4.12Å; I546-I683 HydrophobicContact CG1-CD1 4.16Å; R578-I683 HydrophobicContact CB-CG1 4.25Å; R578-I683 HydrophobicContact CG-CD1 3.92Å; R578-I683 HydrophobicContact CG-CG1 3.77Å; R578-I683 WeakPolarHBondContact O-CG1 3.31Å; R578-I683 PolarHBondContact O-N 3.39Å; L580-I683 HydrophobicContact CB-CD1 4.09Å; L580-I683 HydrophobicContact CB-CG1 4.21Å; L580-I683 HydrophobicContact CB-CG2 3.98Å; L580-I683 HydrophobicContact CD2-CG2 4.46Å; L623-I683 HydrophobicContact CD2-CG2 4.24Å; L681-I683 HydrophobicContact CB-CG2 4.2Å; L681-I683 PolarHBondContact O-N 2.97Å; I683-D685 PolarHBondContact O-N 3.36Å; I683-V686 HydrophobicContact CB-CB 4.09Å; I683-V686 HydrophobicContact CB-CG2 3.97Å; I683-V686 HydrophobicContact CG2-CG2 4.16Å; I683-V686 WeakPolarHBondContact O-CB 3.37Å; I683-V686 PolarHBondContact O-N 3.16Å; I683-V686 VanDerWaalsContact O-N 3.08Å; I683-Y719 HydrophobicContact CD1-CE2 4.11Å
684	T	94.4	Very high	92.3	Very high	51 Å²	51	38.5 Å²	38.5	31%	0.313	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-38.6	-178.9	-53.3	0	0	0	0	112.7	R577 R578 D682	R577-T684 WeakPolarHBondContact CA-OG1 3.36Å; R577-T684 VanDerWaalsContact CZ-CB 3.48Å; R577-T684 VanDerWaalsContact CZ-OG1 3.3Å; R577-T684 PolarHBondContact NE-OG1 2.91Å; R578-T684 PolarHBondContact N-OG1 3.01Å; R578-T684 PolarHBondContact O-N 3.2Å; D682-T684 VanDerWaalsContact OD1-CB 3.29Å; D682-T684 WeakPolarHBondContact OD1-CB 3.43Å; D682-T684 PolarHBondContact OD1-N 2.7Å; D682-T684 VanDerWaalsContact OD1-N 3.12Å; D682-T684 PolarHBondContact OD1-OG1 2.75Å
685	D	92.9	Very high	92.4	Very high	97 Å²	97	35.5 Å²	35.5	52%	0.519	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-1.4	-177.2	-52.2	-50.6	0	0	0	113.2	S564 S566 R577 I683	S564-D685 PolarHBondContact OG-OD2 2.86Å; S566-D685 VanDerWaalsContact CB-OD2 3.22Å; S566-D685 WeakPolarHBondContact CB-OD2 3.3Å; S566-D685 PolarHBondContact OG-OD1 3.18Å; S566-D685 PolarHBondContact OG-OD2 2.79Å; R577-D685 IonicContact NH2-OD2 3.03Å; I683-D685 PolarHBondContact O-N 3.36Å
686	V	94.4	Very high	92.6	Very high	15 Å²	15	33.8 Å²	33.8	9%	0.091	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-83	131.5	-175.9	-179	0	0	0	0	109.2	L623 A632 I683 Y691 Y719	L623-V686 HydrophobicContact CD2-CG1 3.97Å; L623-V686 HydrophobicContact CD2-CG2 4.34Å; A632-V686 HydrophobicContact CB-CG2 3.77Å; I683-V686 HydrophobicContact CB-CB 4.09Å; I683-V686 HydrophobicContact CB-CG2 3.97Å; I683-V686 HydrophobicContact CG2-CG2 4.16Å; I683-V686 WeakPolarHBondContact O-CB 3.37Å; I683-V686 PolarHBondContact O-N 3.16Å; I683-V686 VanDerWaalsContact O-N 3.08Å; V686-Y691 HydrophobicContact CG1-CE1 4.45Å; V686-Y691 HydrophobicContact CG1-CE2 3.94Å; V686-Y719 HydrophobicContact CG1-CD1 4.26Å; V686-Y719 HydrophobicContact CG1-CE1 4.5Å; V686-Y719 WeakPolarHBondContact O-CE1 3.34Å
687	K	94.7	Very high	92.9	Very high	162 Å²	162	31.8 Å²	31.8	70%	0.704	17%	0.173	S	C	*	.	P	Polyproline II helix	trans	-80.7	159.3	176	-65.8	-176	-178.6	179	0	110.7	Y691 Y719	K687-Y691 WeakPolarHBondContact O-CE2 3.4Å; K687-Y691 PolarHBondContact O-OH 2.79Å; K687-Y719 WeakPolarHBondContact O-CD1 3.41Å
688	P	94.6	Very high	93.1	Very high	81 Å²	81	30.2 Å²	30.2	53%	0.526	16%	0.164	S	C	.	.	S	Bend	trans	-56.8	139.2	167.8	-26.4	36.5	0	0	0	111.8	Y719	P688-Y719 CarbonylContact C-O 3.47Å; P688-Y719 VanDerWaalsContact CA-O 3.23Å; P688-Y719 WeakPolarHBondContact CA-O 3.5Å
689	G	91.8	Very high	93.3	Very high	26 Å²	26	31.3 Å²	31.3	27%	0.268	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	170.5	-177.6	-176	0	0	0	0	0	113.6	Y691 Y719	G689-Y691 VanDerWaalsContact C-CE2 3.49Å; G689-Y719 PolarHBondContact N-O 2.8Å; G689-Y719 PolarHBondContact O-N 2.67Å
690	N	90.9	Very high	93	Very high	75 Å²	75	35.6 Å²	35.6	40%	0.401	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	136	169.9	-55.8	-57.5	0	0	0	109	C717 P747	N690-C717 CarbonylContact C-O 3.56Å; N690-C717 WeakPolarHBondContact CA-O 3.49Å; N690-P747 HydrophobicContact CB-CB 4.33Å; N690-P747 HydrophobicContact CB-CG 4.11Å
691	Y	92.3	Very high	92.7	Very high	25 Å²	25	38.8 Å²	38.8	10%	0.098	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	166.1	-171.8	-59.7	-72.4	0	0	0	109.9	L623 L624 V631 V686 K687 G689 C717	L623-Y691 HydrophobicContact CD1-CG 4.29Å; L623-Y691 HydrophobicContact CD2-CD1 4.46Å; L623-Y691 HydrophobicContact CD2-CD2 4.27Å; L623-Y691 HydrophobicContact CD2-CG 4.08Å; L623-Y691 HydrophobicContact CG-CD1 4.34Å; L623-Y691 HydrophobicContact CG-CG 4.02Å; L624-Y691 CarbonylContact O-C 3.56Å; L624-Y691 WeakPolarHBondContact O-CA 3.4Å; L624-Y691 WeakPolarHBondContact O-CB 3.09Å; V631-Y691 HydrophobicContact CB-CE1 4.42Å; V631-Y691 HydrophobicContact CG1-CE1 4.24Å; V631-Y691 HydrophobicContact CG2-CD1 3.65Å; V631-Y691 HydrophobicContact CG2-CE1 3.7Å; V686-Y691 HydrophobicContact CG1-CE1 4.45Å; V686-Y691 HydrophobicContact CG1-CE2 3.94Å; K687-Y691 WeakPolarHBondContact O-CE2 3.4Å; K687-Y691 PolarHBondContact O-OH 2.79Å; G689-Y691 VanDerWaalsContact C-CE2 3.49Å; Y691-C717 PolarHBondContact N-O 2.78Å; Y691-C717 WeakPolarHBondContact O-CA 3.44Å; Y691-C717 WeakPolarHBondContact O-CB 3.28Å; Y691-C717 PolarHBondContact O-N 3.5Å; Y691-C717 VanDerWaalsContact O-O 3.08Å
692	I	92.3	Very high	92.2	Very high	13 Å²	13	41.6 Å²	41.6	7%	0.067	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	119.7	167.3	-63.2	171.4	0	0	0	106.2	L624 K714 C715 F743 E744	L624-I692 HydrophobicContact CB-CB 4.33Å; L624-I692 PolarHBondContact N-O 2.85Å; L624-I692 PolarHBondContact O-N 2.83Å; I692-K714 HydrophobicContact CG2-CB 4.24Å; I692-K714 HydrophobicContact CG2-CD 4.44Å; I692-K714 HydrophobicContact CG2-CG 4.4Å; I692-C715 CarbonylContact C-O 3.54Å; I692-C715 WeakPolarHBondContact CA-O 3.38Å; I692-F743 HydrophobicContact CG2-CE1 4.31Å; I692-E744 HydrophobicContact CD1-CG 4.35Å
693	M	93.6	Very high	91.9	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	132.8	170.5	-177.6	175.5	166	0	0	108.3	V540 L580 F582 L623 L681 V695 K714 C715 C717 L726	V540-M693 HydrophobicContact CG1-CE 4.24Å; L580-M693 HydrophobicContact CD2-SD 4.18Å; F582-M693 HydrophobicContact CD1-CE 3.36Å; F582-M693 HydrophobicContact CD2-CE 3.95Å; F582-M693 HydrophobicContact CE1-CE 3.31Å; F582-M693 HydrophobicContact CE2-CE 3.89Å; F582-M693 HydrophobicContact CG-CE 3.69Å; F582-M693 HydrophobicContact CZ-CE 3.58Å; L623-M693 HydrophobicContact CD1-CB 4.16Å; L681-M693 HydrophobicContact CD1-CE 4.27Å; L681-M693 HydrophobicContact CD1-CG 4.18Å; L681-M693 HydrophobicContact CD1-SD 4.44Å; M693-V695 HydrophobicContact CE-CG2 4.09Å; M693-K714 CarbonylContact O-C 3.58Å; M693-K714 VanDerWaalsContact O-CA 3.31Å; M693-K714 WeakPolarHBondContact O-CA 3.3Å; M693-C715 HydrophobicContact CB-CB 4.43Å; M693-C715 PolarHBondContact N-O 2.8Å; M693-C715 PolarHBondContact O-N 2.82Å; M693-C717 HydrophobicContact CB-CB 4.27Å; M693-L726 HydrophobicContact CB-CD1 3.93Å; M693-L726 HydrophobicContact SD-CD1 3.83Å; M693-L726 HydrophobicContact SD-CD2 3.91Å
694	Q	94.4	Very high	91.6	Very high	45 Å²	45	42 Å²	42	21%	0.21	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	136.7	178.8	-179.2	175.1	49.6	0	0	110.1	D622 L624 V696 M713 K714	D622-Q694 HydrophobicContact CB-CB 4.35Å; D622-Q694 PolarHBondContact N-O 3.2Å; D622-Q694 PolarHBondContact O-N 2.86Å; L624-Q694 HydrophobicContact CD1-CB 4.3Å; Q694-V696 HydrophobicContact CG-CG2 3.86Å; Q694-M713 VanDerWaalsContact CA-O 3.3Å; Q694-M713 WeakPolarHBondContact CA-O 3.31Å; Q694-K714 HydrophobicContact CG-CG 4.49Å
695	V	94.4	Very high	91.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	129.1	170.2	178.3	0	0	0	0	108	L535 F582 H620 Y621 M693 G712 M713	L535-V695 HydrophobicContact CD2-CB 3.78Å; L535-V695 HydrophobicContact CD2-CG1 3.68Å; L535-V695 HydrophobicContact CD2-CG2 4.36Å; F582-V695 HydrophobicContact CE2-CG2 3.98Å; F582-V695 HydrophobicContact CZ-CG2 4.18Å; H620-V695 WeakPolarHBondContact O-CA 2.97Å; Y621-V695 HydrophobicContact CD1-CB 4.33Å; Y621-V695 HydrophobicContact CD1-CG1 3.8Å; Y621-V695 HydrophobicContact CD1-CG2 3.94Å; Y621-V695 HydrophobicContact CE1-CG1 3.73Å; Y621-V695 HydrophobicContact CE1-CG2 4.39Å; M693-V695 HydrophobicContact CE-CG2 4.09Å; V695-G712 CarbonylContact O-C 3.56Å; V695-G712 WeakPolarHBondContact O-CA 2.94Å; V695-M713 HydrophobicContact CB-CE 4Å; V695-M713 HydrophobicContact CG2-CE 3.69Å; V695-M713 PolarHBondContact N-O 2.95Å; V695-M713 PolarHBondContact O-N 3.16Å
696	V	93.9	Very high	91.4	Very high	32 Å²	32	35.9 Å²	35.9	19%	0.194	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	121.8	178.7	-173.4	0	0	0	0	109.7	T619 H620 Q694 P699	T619-V696 CarbonylContact C-O 3.52Å; T619-V696 VanDerWaalsContact CA-O 3.23Å; T619-V696 WeakPolarHBondContact CA-O 3.44Å; H620-V696 PolarHBondContact N-O 3.41Å; H620-V696 PolarHBondContact O-N 2.81Å; Q694-V696 HydrophobicContact CG-CG2 3.86Å; V696-P699 HydrophobicContact CB-CB 4.33Å; V696-P699 HydrophobicContact CG1-CB 3.87Å
697	I	93.6	Very high	91.2	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	142.8	175.8	-57.6	158.6	0	0	0	110.1	L533 L535 I586 F618 T619 P699 N711	L533-I697 HydrophobicContact CB-CG2 4Å; L533-I697 HydrophobicContact CD1-CG2 3.74Å; L535-I697 HydrophobicContact CB-CD1 3.65Å; L535-I697 HydrophobicContact CD1-CD1 4.16Å; L535-I697 HydrophobicContact CG-CD1 4.48Å; I586-I697 HydrophobicContact CB-CD1 4.45Å; I586-I697 HydrophobicContact CG1-CD1 3.91Å; I586-I697 HydrophobicContact CG1-CG1 4.22Å; I586-I697 HydrophobicContact CG2-CD1 3.89Å; I586-I697 HydrophobicContact CG2-CG2 4.3Å; F618-I697 HydrophobicContact CE1-CG2 4.48Å; F618-I697 HydrophobicContact CE2-CG2 4.09Å; F618-I697 HydrophobicContact CZ-CG2 3.97Å; T619-I697 HydrophobicContact CG2-CB 4.43Å; T619-I697 HydrophobicContact CG2-CG1 3.97Å; I697-P699 VanDerWaalsContact C-N 3.31Å; I697-N711 HydrophobicContact CB-CB 4.48Å; I697-N711 PolarHBondContact N-O 3.12Å; I697-N711 WeakPolarHBondContact O-CB 3.37Å; I697-N711 PolarHBondContact O-ND2 3.32Å
698	N	91	Very high	91	Very high	2 Å²	2	30 Å²	30	1%	0.011	16%	0.164	C	C	.	.	S	Bend	trans	44.8	52.2	-178.9	-173.2	16.3	0	0	0	112.6	F618 N700 Y701 E702 V703 E705	F618-N698 PolarHBondContact O-N 2.95Å; N698-N700 PolarHBondContact O-N 2.88Å; N698-N700 VanDerWaalsContact O-N 3.11Å; N698-Y701 PolarHBondContact O-N 3.08Å; N698-E702 PolarHBondContact OD1-N 2.8Å; N698-V703 PolarHBondContact ND2-O 3.27Å; N698-E705 VanDerWaalsContact CB-OE1 3.3Å; N698-E705 WeakPolarHBondContact CB-OE1 3.28Å; N698-E705 PolarHBondContact ND2-OE1 3.11Å
699	P	89.4	Confident	90.8	Very high	25 Å²	25	30 Å²	30	16%	0.162	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-23.5	-166.5	26.6	-35.9	0	0	0	113.7	V617 F618 H620 V696 I697 Y701	V617-P699 HydrophobicContact CG1-CG 4.22Å; F618-P699 WeakPolarHBondContact O-CD 2.92Å; H620-P699 HydrophobicContact CB-CG 4.49Å; H620-P699 WeakPolarHBondContact CD2-CG 3.29Å; V696-P699 HydrophobicContact CB-CB 4.33Å; V696-P699 HydrophobicContact CG1-CB 3.87Å; I697-P699 VanDerWaalsContact C-N 3.31Å; P699-Y701 WeakPolarHBondContact O-CD2 3.46Å; P699-Y701 WeakPolarHBondContact O-CE2 2.88Å
700	N	86.4	Confident	90.9	Very high	89 Å²	89	29.2 Å²	29.2	48%	0.476	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	0.3	-179.2	-67.4	-26.6	0	0	0	113.5	N698 E702	N698-N700 PolarHBondContact O-N 2.88Å; N698-N700 VanDerWaalsContact O-N 3.11Å; N700-E702 HydrophobicContact CB-CG 3.77Å; N700-E702 WeakPolarHBondContact CB-OE1 3.39Å; N700-E702 PolarHBondContact ND2-OE1 2.75Å; N700-E702 VanDerWaalsContact ND2-OE1 3.07Å; N700-E702 PolarHBondContact O-N 2.95Å
701	Y	87	Confident	91	Very high	69 Å²	69	26 Å²	26	27%	0.271	14%	0.135	S	C	.	.			trans	56.8	35.9	-176.6	-49.3	-100.2	0	0	0	111.9	T455 R456 N698 P699 F708	T455-Y701 PolarHBondContact OG1-O 2.9Å; R456-Y701 HydrophobicContact CG-CD1 4.37Å; N698-Y701 PolarHBondContact O-N 3.08Å; P699-Y701 WeakPolarHBondContact O-CD2 3.46Å; P699-Y701 WeakPolarHBondContact O-CE2 2.88Å; Y701-F708 HydrophobicContact CD1-CB 4.19Å; Y701-F708 AromaticContact CD1-CD1 3.39Å; Y701-F708 HydrophobicContact CD1-CD1 3.39Å; Y701-F708 AromaticContact CD1-CD2 3.95Å; Y701-F708 HydrophobicContact CD1-CD2 3.95Å; Y701-F708 AromaticContact CD1-CE1 3.57Å; Y701-F708 HydrophobicContact CD1-CE1 3.57Å; Y701-F708 HydrophobicContact CD1-CE2 4.1Å; Y701-F708 AromaticContact CD1-CG 3.58Å; Y701-F708 HydrophobicContact CD1-CG 3.58Å; Y701-F708 AromaticContact CD1-CZ 3.91Å; Y701-F708 HydrophobicContact CD1-CZ 3.91Å; Y701-F708 HydrophobicContact CE1-CB 3.71Å; Y701-F708 AromaticContact CE1-CD1 3.73Å; Y701-F708 HydrophobicContact CE1-CD1 3.73Å; Y701-F708 HydrophobicContact CE1-CD2 4.24Å; Y701-F708 HydrophobicContact CE1-CE1 4.36Å; Y701-F708 AromaticContact CE1-CG 3.64Å; Y701-F708 HydrophobicContact CE1-CG 3.64Å; Y701-F708 HydrophobicContact CG-CD1 4.4Å; Y701-F708 HydrophobicContact CG-CE1 4.27Å
702	E	83.6	Confident	91	Very high	59 Å²	59	25.5 Å²	25.5	28%	0.276	14%	0.138	S	C	.	.			trans	-69.4	-41.3	-174.2	-79.1	174.6	-150.8	0	0	111.4	M615 N698 N700	M615-E702 HydrophobicContact CE-CB 4.39Å; N698-E702 PolarHBondContact OD1-N 2.8Å; N700-E702 HydrophobicContact CB-CG 3.77Å; N700-E702 WeakPolarHBondContact CB-OE1 3.39Å; N700-E702 PolarHBondContact ND2-OE1 2.75Å; N700-E702 VanDerWaalsContact ND2-OE1 3.07Å; N700-E702 PolarHBondContact O-N 2.95Å
703	V	87.9	Confident	91.1	Very high	12 Å²	12	24.9 Å²	24.9	7%	0.073	14%	0.135	C	C	.	.	S	Bend	trans	-104.5	142.8	174.1	-177.8	0	0	0	0	108.7	F594 K595 K597 M615 N698 F708	F594-V703 HydrophobicContact CD2-CB 4.34Å; F594-V703 HydrophobicContact CD2-CG1 3.77Å; F594-V703 HydrophobicContact CE1-CG2 4.37Å; F594-V703 HydrophobicContact CE2-CB 3.46Å; F594-V703 VanDerWaalsContact CE2-CB 3.46Å; F594-V703 HydrophobicContact CE2-CG1 3.39Å; F594-V703 HydrophobicContact CE2-CG2 4.08Å; F594-V703 HydrophobicContact CZ-CB 3.62Å; F594-V703 HydrophobicContact CZ-CG1 3.86Å; F594-V703 HydrophobicContact CZ-CG2 3.69Å; K595-V703 WeakPolarHBondContact O-CG1 3.12Å; K595-V703 WeakPolarHBondContact O-CG2 3.19Å; K597-V703 HydrophobicContact CB-CG2 4.3Å; M615-V703 HydrophobicContact CE-CG2 4.28Å; M615-V703 HydrophobicContact SD-CG2 4.27Å; N698-V703 PolarHBondContact ND2-O 3.27Å; V703-F708 WeakPolarHBondContact O-CZ 3.49Å
704	A	89.3	Confident	91	Very high	4 Å²	4	26.4 Å²	26.4	3%	0.033	14%	0.141	C	C	.	.			trans	-74	139.7	179.5	0	0	0	0	0	112.5	T455 A470 N471 S531	T455-A704 HydrophobicContact CG2-CB 3.77Å; A470-A704 WeakPolarHBondContact O-CB 3.41Å; N471-A704 WeakPolarHBondContact O-CB 3.37Å; S531-A704 PolarHBondContact OG-O 2.81Å; S531-A704 VanDerWaalsContact OG-O 3.08Å
705	E	92.6	Very high	90.9	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.131	C	C	.	.	B	Isolated β-bridge	trans	-133.5	157	175.7	-60.1	-176.9	-115.7	0	0	110.6	M459 S531 L533 N698 D707 F708 N711	M459-E705 WeakPolarHBondContact CE-O 3.06Å; S531-E705 CarbonylContact O-C 3.57Å; S531-E705 WeakPolarHBondContact O-CA 3.45Å; S531-E705 WeakPolarHBondContact O-CB 3.06Å; L533-E705 WeakPolarHBondContact CA-OE2 3.33Å; L533-E705 WeakPolarHBondContact CB-OE2 3.37Å; L533-E705 WeakPolarHBondContact CG-OE2 3.4Å; L533-E705 PolarHBondContact N-OE2 2.84Å; N698-E705 VanDerWaalsContact CB-OE1 3.3Å; N698-E705 WeakPolarHBondContact CB-OE1 3.28Å; N698-E705 PolarHBondContact ND2-OE1 3.11Å; E705-D707 WeakPolarHBondContact CB-O 3.24Å; E705-F708 HydrophobicContact CB-CD1 4.21Å; E705-F708 HydrophobicContact CB-CD2 4.41Å; E705-F708 HydrophobicContact CB-CE1 3.81Å; E705-F708 HydrophobicContact CB-CE2 4.03Å; E705-F708 HydrophobicContact CB-CZ 3.73Å; E705-F708 HydrophobicContact CG-CD1 4.47Å; E705-F708 HydrophobicContact CG-CE1 3.85Å; E705-F708 HydrophobicContact CG-CZ 4.07Å; E705-F708 VanDerWaalsContact N-CZ 3.35Å; E705-F708 WeakPolarHBondContact OE1-CE1 3.32Å; E705-N711 PolarHBondContact OE1-ND2 3.09Å
706	S	91.6	Very high	90.8	Very high	18 Å²	18	24.4 Å²	24.4	13%	0.126	13%	0.132	C	C	.	.	S	Bend	trans	-75.1	-29	176	51.7	0	0	0	0	113	S531 D532	S531-S706 PolarHBondContact O-N 3.03Å; S531-S706 PolarHBondContact O-OG 2.87Å; D532-S706 WeakPolarHBondContact CB-OG 3.28Å; D532-S706 PolarHBondContact OD2-OG 3.39Å
707	D	90.8	Very high	90.7	Very high	15 Å²	15	22.9 Å²	22.9	8%	0.08	12%	0.123	C	C	.	.			trans	-138	139.6	173.1	-163.6	-10.9	0	0	0	108.3	K312 E705 T709 N710 N711	K312-D707 WeakPolarHBondContact CD-OD2 3.28Å; K312-D707 IonicContact NZ-OD1 2.73Å; K312-D707 IonicContact NZ-OD2 2.66Å; K312-D707 PolarHBondContact NZ-OD2 2.99Å; E705-D707 WeakPolarHBondContact CB-O 3.24Å; D707-T709 WeakPolarHBondContact OD1-CB 3.48Å; D707-T709 PolarHBondContact OD1-N 3.44Å; D707-T709 PolarHBondContact OD1-OG1 2.9Å; D707-T709 PolarHBondContact OD2-OG1 3.23Å; D707-N710 PolarHBondContact O-OD1 3.15Å; D707-N711 PolarHBondContact O-OD1 2.68Å
708	F	90.4	Very high	90.6	Very high	39 Å²	39	26.7 Å²	26.7	17%	0.171	14%	0.139	C	C	.	.	S	Bend	trans	-117.4	-6.4	174.6	-74.2	-79.8	0	0	0	111.9	Y701 V703 E705 N710 N711	Y701-F708 HydrophobicContact CD1-CB 4.19Å; Y701-F708 AromaticContact CD1-CD1 3.39Å; Y701-F708 HydrophobicContact CD1-CD1 3.39Å; Y701-F708 AromaticContact CD1-CD2 3.95Å; Y701-F708 HydrophobicContact CD1-CD2 3.95Å; Y701-F708 AromaticContact CD1-CE1 3.57Å; Y701-F708 HydrophobicContact CD1-CE1 3.57Å; Y701-F708 HydrophobicContact CD1-CE2 4.1Å; Y701-F708 AromaticContact CD1-CG 3.58Å; Y701-F708 HydrophobicContact CD1-CG 3.58Å; Y701-F708 AromaticContact CD1-CZ 3.91Å; Y701-F708 HydrophobicContact CD1-CZ 3.91Å; Y701-F708 HydrophobicContact CE1-CB 3.71Å; Y701-F708 AromaticContact CE1-CD1 3.73Å; Y701-F708 HydrophobicContact CE1-CD1 3.73Å; Y701-F708 HydrophobicContact CE1-CD2 4.24Å; Y701-F708 HydrophobicContact CE1-CE1 4.36Å; Y701-F708 AromaticContact CE1-CG 3.64Å; Y701-F708 HydrophobicContact CE1-CG 3.64Å; Y701-F708 HydrophobicContact CG-CD1 4.4Å; Y701-F708 HydrophobicContact CG-CE1 4.27Å; V703-F708 WeakPolarHBondContact O-CZ 3.49Å; E705-F708 HydrophobicContact CB-CD1 4.21Å; E705-F708 HydrophobicContact CB-CD2 4.41Å; E705-F708 HydrophobicContact CB-CE1 3.81Å; E705-F708 HydrophobicContact CB-CE2 4.03Å; E705-F708 HydrophobicContact CB-CZ 3.73Å; E705-F708 HydrophobicContact CG-CD1 4.47Å; E705-F708 HydrophobicContact CG-CE1 3.85Å; E705-F708 HydrophobicContact CG-CZ 4.07Å; E705-F708 VanDerWaalsContact N-CZ 3.35Å; E705-F708 WeakPolarHBondContact OE1-CE1 3.32Å; F708-N710 VanDerWaalsContact C-N 3.27Å; F708-N710 PolarHBondContact O-N 3.34Å; F708-N711 WeakPolarHBondContact CA-OD1 3.24Å; F708-N711 PolarHBondContact O-N 2.98Å
709	T	90.1	Very high	90.7	Very high	82 Å²	82	27.2 Å²	27.2	50%	0.503	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-16.2	-174.6	61.1	0	0	0	0	112.5	K312 D707	K312-T709 PolarHBondContact NZ-OG1 3.27Å; D707-T709 WeakPolarHBondContact OD1-CB 3.48Å; D707-T709 PolarHBondContact OD1-N 3.44Å; D707-T709 PolarHBondContact OD1-OG1 2.9Å; D707-T709 PolarHBondContact OD2-OG1 3.23Å
710	N	92.5	Very high	90.9	Very high	9 Å²	9	29.3 Å²	29.3	5%	0.048	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-1.6	175.5	56	-16.3	0	0	0	113.7	D532 V534 D707 F708 G712 I731	D532-N710 PolarHBondContact OD1-ND2 2.86Å; D532-N710 PolarHBondContact OD1-OD1 3.49Å; V534-N710 HydrophobicContact CG2-CB 4.3Å; V534-N710 WeakPolarHBondContact CG2-ND2 3.26Å; D707-N710 PolarHBondContact O-OD1 3.15Å; F708-N710 VanDerWaalsContact C-N 3.27Å; F708-N710 PolarHBondContact O-N 3.34Å; N710-G712 PolarHBondContact O-N 3.12Å; N710-I731 HydrophobicContact CB-CG2 3.84Å; N710-I731 VanDerWaalsContact O-CG2 3.24Å; N710-I731 WeakPolarHBondContact O-CG2 3.26Å
711	N	93.3	Very high	91	Very high	6 Å²	6	25.6 Å²	25.6	3%	0.032	13%	0.134	C	C	.	.	S	Bend	trans	-69.5	-17.9	178.2	-75	44.3	0	0	0	114	I697 E705 D707 F708	I697-N711 HydrophobicContact CB-CB 4.48Å; I697-N711 PolarHBondContact N-O 3.12Å; I697-N711 WeakPolarHBondContact O-CB 3.37Å; I697-N711 PolarHBondContact O-ND2 3.32Å; E705-N711 PolarHBondContact OE1-ND2 3.09Å; D707-N711 PolarHBondContact O-OD1 2.68Å; F708-N711 WeakPolarHBondContact CA-OD1 3.24Å; F708-N711 PolarHBondContact O-N 2.98Å
712	G	92.5	Very high	91.2	Very high	15 Å²	15	29.7 Å²	29.7	16%	0.155	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	136.3	-178.6	0	0	0	0	0	111.8	V695 N710 I731 G732	V695-G712 CarbonylContact O-C 3.56Å; V695-G712 WeakPolarHBondContact O-CA 2.94Å; N710-G712 PolarHBondContact O-N 3.12Å; G712-I731 CarbonylContact O-C 3.44Å; G712-I731 WeakPolarHBondContact O-CG2 3.35Å; G712-G732 PolarHBondContact O-N 3.12Å
713	M	93.9	Very high	91.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	141.3	170.5	-179.7	-75	-73.3	0	0	109.1	L535 A537 V540 Q694 V695 C715 C729 H730	L535-M713 HydrophobicContact CB-CB 4.35Å; L535-M713 HydrophobicContact CD2-CB 3.66Å; L535-M713 HydrophobicContact CD2-CE 3.74Å; L535-M713 HydrophobicContact CD2-CG 4Å; A537-M713 HydrophobicContact CB-CG 3.66Å; V540-M713 HydrophobicContact CB-CE 3.96Å; V540-M713 HydrophobicContact CG1-CE 3.61Å; V540-M713 HydrophobicContact CG2-CE 3.93Å; Q694-M713 VanDerWaalsContact CA-O 3.3Å; Q694-M713 WeakPolarHBondContact CA-O 3.31Å; V695-M713 HydrophobicContact CB-CE 4Å; V695-M713 HydrophobicContact CG2-CE 3.69Å; V695-M713 PolarHBondContact N-O 2.95Å; V695-M713 PolarHBondContact O-N 3.16Å; M713-C715 PolarHBondContact SD-SG 2.89Å; M713-C729 HydrophobicContact SD-CB 4.41Å; M713-H730 WeakPolarHBondContact CA-O 3.49Å; M713-H730 WeakPolarHBondContact CG-O 3.47Å
714	K	93.3	Very high	91.6	Very high	33 Å²	33	35.3 Å²	35.3	14%	0.143	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	144.7	173.9	-64.3	-179.3	-170.2	165.9	0	111.4	I692 M693 Q694 C729 H730 E740 F743 E744	I692-K714 HydrophobicContact CG2-CB 4.24Å; I692-K714 HydrophobicContact CG2-CD 4.44Å; I692-K714 HydrophobicContact CG2-CG 4.4Å; M693-K714 CarbonylContact O-C 3.58Å; M693-K714 VanDerWaalsContact O-CA 3.31Å; M693-K714 WeakPolarHBondContact O-CA 3.3Å; Q694-K714 HydrophobicContact CG-CG 4.49Å; K714-C729 WeakPolarHBondContact O-CA 3.3Å; K714-H730 PolarHBondContact N-O 3.49Å; K714-H730 PolarHBondContact O-N 3.02Å; K714-E740 WeakPolarHBondContact CD-OE1 3.43Å; K714-E740 IonicContact NZ-OE1 2.67Å; K714-E740 PolarHBondContact NZ-OE1 2.85Å; K714-F743 HydrophobicContact CB-CE1 3.96Å; K714-F743 HydrophobicContact CB-CZ 4.12Å; K714-F743 HydrophobicContact CD-CE1 4.22Å; K714-E744 IonicContact NZ-OE1 3.26Å; K714-E744 PolarHBondContact NZ-OE1 2.74Å
715	C	92.2	Very high	91.7	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	148.7	170.5	-52	0	0	0	0	111.7	I692 M693 M713 L726 C729	I692-C715 CarbonylContact C-O 3.54Å; I692-C715 WeakPolarHBondContact CA-O 3.38Å; M693-C715 HydrophobicContact CB-CB 4.43Å; M693-C715 PolarHBondContact N-O 2.8Å; M693-C715 PolarHBondContact O-N 2.82Å; M713-C715 PolarHBondContact SD-SG 2.89Å; C715-L726 HydrophobicContact CB-CD1 3.7Å; C715-L726 HydrophobicContact CB-CD2 3.96Å; C715-L726 HydrophobicContact CB-CG 3.53Å; C715-L726 VanDerWaalsContact SG-CD2 3.6Å; C715-C729 HydrophobicContact CB-CB 4.09Å; C715-C729 WeakPolarHBondContact CB-SG 3.44Å; C715-C729 WeakPolarHBondContact SG-CA 3.32Å; C715-C729 WeakPolarHBondContact SG-CB 2.93Å; C715-C729 CovalentContact SG-SG 2.02Å; C715-C729 PolarHBondContact SG-SG 3.05Å
716	N	91.3	Very high	91.6	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.011	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	131.3	165.6	-78.1	-14.7	0	0	0	109.3	L726 H727 F743	N716-L726 WeakPolarHBondContact O-CA 3.33Å; N716-H727 WeakPolarHBondContact CB-CE1 3.2Å; N716-H727 WeakPolarHBondContact CB-O 3.32Å; N716-H727 PolarHBondContact N-O 3.17Å; N716-H727 PolarHBondContact O-N 2.95Å; N716-F743 HydrophobicContact CB-CE2 4.19Å; N716-F743 WeakPolarHBondContact OD1-CE2 3.17Å; N716-F743 WeakPolarHBondContact OD1-CZ 3.22Å
717	C	91.9	Very high	91.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	118.8	-174.8	179	0	0	0	0	110	L623 N690 Y691 M693 I724 W725 L726	L623-C717 HydrophobicContact CD1-CB 4.19Å; N690-C717 CarbonylContact C-O 3.56Å; N690-C717 WeakPolarHBondContact CA-O 3.49Å; Y691-C717 PolarHBondContact N-O 2.78Å; Y691-C717 WeakPolarHBondContact O-CA 3.44Å; Y691-C717 WeakPolarHBondContact O-CB 3.28Å; Y691-C717 PolarHBondContact O-N 3.5Å; Y691-C717 VanDerWaalsContact O-O 3.08Å; M693-C717 HydrophobicContact CB-CB 4.27Å; C717-I724 WeakPolarHBondContact SG-CD1 3.38Å; C717-W725 WeakPolarHBondContact CA-O 3.4Å; C717-L726 HydrophobicContact CB-CD1 3.74Å
718	K	92.3	Very high	91.4	Very high	82 Å²	82	44.9 Å²	44.9	36%	0.357	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	123.3	173.5	-179.6	177.9	179.9	-174.5	0	109.1	I724 W725	K718-I724 CarbonylContact O-C 3.49Å; K718-I724 VanDerWaalsContact O-CA 3.3Å; K718-I724 WeakPolarHBondContact O-CA 3.35Å; K718-I724 WeakPolarHBondContact O-CG1 3.49Å; K718-W725 HydrophobicContact CB-CB 4.47Å; K718-W725 HydrophobicContact CB-CE3 4.18Å; K718-W725 HydrophobicContact CD-CE3 4.15Å; K718-W725 HydrophobicContact CG-CE3 3.99Å; K718-W725 HydrophobicContact CG-CZ3 4.4Å; K718-W725 PolarHBondContact N-O 3.34Å; K718-W725 PolarHBondContact O-N 3.01Å
719	Y	93.4	Very high	91.4	Very high	13 Å²	13	43.9 Å²	43.9	5%	0.051	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	123	179.1	175.7	-129.2	0	0	0	110	I546 R578 I683 V686 K687 P688 G689 G721 R723	I546-Y719 HydrophobicContact CD1-CD2 3.97Å; I546-Y719 HydrophobicContact CD1-CE2 3.69Å; R578-Y719 VanDerWaalsContact CD-OH 3.3Å; R578-Y719 WeakPolarHBondContact CD-OH 3.19Å; R578-Y719 PolarHBondContact NH1-OH 3.16Å; I683-Y719 HydrophobicContact CD1-CE2 4.11Å; V686-Y719 HydrophobicContact CG1-CD1 4.26Å; V686-Y719 HydrophobicContact CG1-CE1 4.5Å; V686-Y719 WeakPolarHBondContact O-CE1 3.34Å; K687-Y719 WeakPolarHBondContact O-CD1 3.41Å; P688-Y719 CarbonylContact C-O 3.47Å; P688-Y719 VanDerWaalsContact CA-O 3.23Å; P688-Y719 WeakPolarHBondContact CA-O 3.5Å; G689-Y719 PolarHBondContact N-O 2.8Å; G689-Y719 PolarHBondContact O-N 2.67Å; Y719-G721 VanDerWaalsContact CZ-CA 3.47Å; Y719-R723 WeakPolarHBondContact CD2-O 3.36Å
720	D	92	Very high	91.4	Very high	68 Å²	68	40.4 Å²	40.4	36%	0.364	19%	0.19	S	C	.	.			trans	-101.5	-0	-179.6	72.7	-1.6	0	0	0	114	H722 R723 W725	D720-H722 WeakPolarHBondContact OD1-CA 3.43Å; D720-H722 PolarHBondContact OD1-N 2.97Å; D720-R723 PolarHBondContact N-O 2.74Å; D720-R723 VanDerWaalsContact N-O 3.16Å; D720-R723 PolarHBondContact OD1-N 2.82Å; D720-R723 VanDerWaalsContact OD1-O 3.11Å; D720-W725 HydrophobicContact CB-CH2 4.35Å; D720-W725 HydrophobicContact CB-CZ3 3.96Å; D720-W725 VanDerWaalsContact OD2-CH2 3.24Å; D720-W725 WeakPolarHBondContact OD2-CH2 3.42Å
721	G	89.6	Confident	91.4	Very high	11 Å²	11	41 Å²	41	11%	0.113	19%	0.193	C	C	.	.	S	Bend	trans	96.6	-9.8	-174.2	0	0	0	0	0	114.6	R578 Y719	R578-G721 PolarHBondContact NH1-O 2.91Å; Y719-G721 VanDerWaalsContact CZ-CA 3.47Å
722	H	89.9	Confident	90.6	Very high	155 Å²	155	42 Å²	42	72%	0.718	21%	0.205	S	C	*	.	S	Bend	trans	-130.9	-34.3	177.7	-63.5	-70.4	0	0	0	112.7	D720	D720-H722 WeakPolarHBondContact OD1-CA 3.43Å; D720-H722 PolarHBondContact OD1-N 2.97Å
723	R	90	Very high	90.2	Very high	168 Å²	168	42.5 Å²	42.5	63%	0.634	20%	0.204	S	C	*	.			trans	-132.5	157.9	-178.6	-66.5	-178.2	-179.1	-179.1	0.1	109.9	Y719 D720 W725	Y719-R723 WeakPolarHBondContact CD2-O 3.36Å; D720-R723 PolarHBondContact N-O 2.74Å; D720-R723 VanDerWaalsContact N-O 3.16Å; D720-R723 PolarHBondContact OD1-N 2.82Å; D720-R723 VanDerWaalsContact OD1-O 3.11Å; R723-W725 HydrophobicContact CB-CH2 3.79Å; R723-W725 HydrophobicContact CB-CZ2 3.91Å; R723-W725 HydrophobicContact CB-CZ3 4.21Å
724	I	90.4	Very high	89.8	Confident	22 Å²	22	43.4 Å²	43.4	11%	0.113	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	143	174.2	-152.4	166.2	0	0	0	109.5	V544 I546 L580 C717 K718	V544-I724 HydrophobicContact CG2-CG2 4.24Å; I546-I724 HydrophobicContact CD1-CB 3.76Å; I546-I724 HydrophobicContact CD1-CG2 4.09Å; I546-I724 HydrophobicContact CG1-CB 4.11Å; I546-I724 HydrophobicContact CG1-CG2 3.88Å; L580-I724 HydrophobicContact CD1-CD1 3.48Å; L580-I724 VanDerWaalsContact CD1-CD1 3.48Å; L580-I724 HydrophobicContact CD1-CG1 4.46Å; L580-I724 HydrophobicContact CD1-CG2 3.73Å; L580-I724 HydrophobicContact CD2-CD1 3.52Å; L580-I724 HydrophobicContact CG-CD1 4.06Å; C717-I724 WeakPolarHBondContact SG-CD1 3.38Å; K718-I724 CarbonylContact O-C 3.49Å; K718-I724 VanDerWaalsContact O-CA 3.3Å; K718-I724 WeakPolarHBondContact O-CA 3.35Å; K718-I724 WeakPolarHBondContact O-CG1 3.49Å
725	W	91.3	Very high	89.5	Confident	103 Å²	103	44.7 Å²	44.7	39%	0.39	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	124.3	172.7	-60.5	-87.2	0	0	0	108.3	C717 K718 D720 R723	C717-W725 WeakPolarHBondContact CA-O 3.4Å; K718-W725 HydrophobicContact CB-CB 4.47Å; K718-W725 HydrophobicContact CB-CE3 4.18Å; K718-W725 HydrophobicContact CD-CE3 4.15Å; K718-W725 HydrophobicContact CG-CE3 3.99Å; K718-W725 HydrophobicContact CG-CZ3 4.4Å; K718-W725 PolarHBondContact N-O 3.34Å; K718-W725 PolarHBondContact O-N 3.01Å; D720-W725 HydrophobicContact CB-CH2 4.35Å; D720-W725 HydrophobicContact CB-CZ3 3.96Å; D720-W725 VanDerWaalsContact OD2-CH2 3.24Å; D720-W725 WeakPolarHBondContact OD2-CH2 3.42Å; R723-W725 HydrophobicContact CB-CH2 3.79Å; R723-W725 HydrophobicContact CB-CZ2 3.91Å; R723-W725 HydrophobicContact CB-CZ3 4.21Å
726	L	91	Very high	89.2	Confident	15 Å²	15	45 Å²	45	8%	0.079	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	132.4	172	-147	70	0	0	0	107.6	V540 V544 M693 C715 N716 C717	V540-L726 HydrophobicContact CG1-CD2 3.92Å; V544-L726 HydrophobicContact CB-CB 4.39Å; V544-L726 HydrophobicContact CB-CD2 4.24Å; V544-L726 HydrophobicContact CG1-CB 3.76Å; V544-L726 HydrophobicContact CG1-CD2 4.46Å; V544-L726 HydrophobicContact CG2-CB 4.41Å; V544-L726 HydrophobicContact CG2-CD2 4.2Å; M693-L726 HydrophobicContact CB-CD1 3.93Å; M693-L726 HydrophobicContact SD-CD1 3.83Å; M693-L726 HydrophobicContact SD-CD2 3.91Å; C715-L726 HydrophobicContact CB-CD1 3.7Å; C715-L726 HydrophobicContact CB-CD2 3.96Å; C715-L726 HydrophobicContact CB-CG 3.53Å; C715-L726 VanDerWaalsContact SG-CD2 3.6Å; N716-L726 WeakPolarHBondContact O-CA 3.33Å; C717-L726 HydrophobicContact CB-CD1 3.74Å
727	H	89.2	Confident	88.8	Confident	27 Å²	27	51 Å²	51	13%	0.125	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	161	178.8	63.6	86.8	0	0	0	112	E541 N716 C729	E541-H727 WeakPolarHBondContact OE1-CA 3.39Å; N716-H727 WeakPolarHBondContact CB-CE1 3.2Å; N716-H727 WeakPolarHBondContact CB-O 3.32Å; N716-H727 PolarHBondContact N-O 3.17Å; N716-H727 PolarHBondContact O-N 2.95Å; H727-C729 PolarHBondContact O-N 2.91Å
728	N	88.4	Confident	88.2	Confident	93 Å²	93	56.8 Å²	56.8	50%	0.497	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	54.2	42.2	-177.5	-58.5	-10.1	0	0	0	111.3	H730 F743	N728-H730 PolarHBondContact O-N 3.01Å; N728-H730 PolarHBondContact O-ND1 2.88Å; N728-F743 HydrophobicContact CB-CD2 4.3Å; N728-F743 HydrophobicContact CB-CE2 4.03Å
729	C	91.1	Very high	87.6	Confident	17 Å²	17	53.9 Å²	53.9	12%	0.115	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	126.9	174.5	-69.6	0	0	0	0	109.9	A537 E541 M713 K714 C715 H727	A537-C729 HydrophobicContact CB-CB 4.17Å; A537-C729 WeakPolarHBondContact O-CB 3.34Å; E541-C729 HydrophobicContact CB-CB 3.98Å; E541-C729 HydrophobicContact CG-CB 4.43Å; E541-C729 VanDerWaalsContact OE2-CB 3.3Å; E541-C729 WeakPolarHBondContact OE2-CB 3.44Å; E541-C729 PolarHBondContact OE2-N 2.73Å; M713-C729 HydrophobicContact SD-CB 4.41Å; K714-C729 WeakPolarHBondContact O-CA 3.3Å; C715-C729 HydrophobicContact CB-CB 4.09Å; C715-C729 WeakPolarHBondContact CB-SG 3.44Å; C715-C729 WeakPolarHBondContact SG-CA 3.32Å; C715-C729 WeakPolarHBondContact SG-CB 2.93Å; C715-C729 CovalentContact SG-SG 2.02Å; C715-C729 PolarHBondContact SG-SG 3.05Å; H727-C729 PolarHBondContact O-N 2.91Å
730	H	91.1	Very high	87.1	Confident	10 Å²	10	54.3 Å²	54.3	5%	0.046	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	161.4	-179.7	61.8	-72.8	0	0	0	110.5	M713 K714 N728 A734 F735 E740 F743	M713-H730 WeakPolarHBondContact CA-O 3.49Å; M713-H730 WeakPolarHBondContact CG-O 3.47Å; K714-H730 PolarHBondContact N-O 3.49Å; K714-H730 PolarHBondContact O-N 3.02Å; N728-H730 PolarHBondContact O-N 3.01Å; N728-H730 PolarHBondContact O-ND1 2.88Å; H730-A734 HydrophobicContact CB-CB 4.38Å; H730-F735 HydrophobicContact CB-CD2 4.44Å; H730-F735 HydrophobicContact CB-CE2 3.81Å; H730-F735 HydrophobicContact CB-CZ 4.07Å; H730-F735 AromaticContact CD2-CD2 3.3Å; H730-F735 WeakPolarHBondContact CD2-CD2 3.38Å; H730-F735 AromaticContact CD2-CE2 3.46Å; H730-F735 VanDerWaalsContact CD2-CE2 3.46Å; H730-F735 WeakPolarHBondContact CD2-CE2 3.43Å; H730-F735 AromaticContact CE1-CD2 3.99Å; H730-F735 AromaticContact CE1-CE2 3.87Å; H730-F735 AromaticContact CG-CD2 3.71Å; H730-F735 AromaticContact CG-CE2 3.32Å; H730-F735 AromaticContact ND1-CE2 3.58Å; H730-F735 AromaticContact NE2-CD2 3.52Å; H730-F735 AromaticContact NE2-CE2 3.81Å; H730-E740 IonicContact CD2-OE2 2.93Å; H730-E740 IonicContact NE2-OE1 3.98Å; H730-E740 IonicContact NE2-OE2 3.33Å; H730-E740 PolarHBondContact NE2-OE2 2.94Å; H730-F743 AromaticContact CE1-CD1 3.85Å; H730-F743 AromaticContact CE1-CD2 3.59Å; H730-F743 AromaticContact CE1-CE1 3.78Å; H730-F743 AromaticContact CE1-CE2 3.48Å; H730-F743 VanDerWaalsContact CE1-CE2 3.48Å; H730-F743 WeakPolarHBondContact CE1-CE2 3.31Å; H730-F743 AromaticContact CE1-CG 3.77Å; H730-F743 AromaticContact CE1-CZ 3.59Å; H730-F743 AromaticContact ND1-CE2 3.98Å
731	I	91.8	Very high	86.6	Confident	21 Å²	21	56.6 Å²	56.6	11%	0.108	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	142.3	174.1	-60.3	161.1	0	0	0	108.5	M368 V534 N710 G712 D733 A734	M368-I731 HydrophobicContact CE-CD1 3.19Å; M368-I731 HydrophobicContact CE-CG1 4.29Å; V534-I731 HydrophobicContact CG1-CD1 3.33Å; V534-I731 HydrophobicContact CG1-CG1 4.17Å; N710-I731 HydrophobicContact CB-CG2 3.84Å; N710-I731 VanDerWaalsContact O-CG2 3.24Å; N710-I731 WeakPolarHBondContact O-CG2 3.26Å; G712-I731 CarbonylContact O-C 3.44Å; G712-I731 WeakPolarHBondContact O-CG2 3.35Å; I731-D733 WeakPolarHBondContact CG2-OD1 3.45Å; I731-D733 PolarHBondContact O-N 3.22Å; I731-A734 HydrophobicContact CB-CB 4.31Å; I731-A734 WeakPolarHBondContact O-CB 3.23Å; I731-A734 PolarHBondContact O-N 2.78Å
732	G	76	Confident	86.1	Confident	28 Å²	28	64.4 Å²	64.4	29%	0.289	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-12.3	-170.1	0	0	0	0	0	115.6	G712	G712-G732 PolarHBondContact O-N 3.12Å
733	D	83.9	Confident	85.6	Confident	24 Å²	24	57.7 Å²	57.7	13%	0.128	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.1	9.4	175.3	80.5	-39.3	0	0	0	113.7	R310 K312 W330 I731 F735	R310-D733 IonicContact CZ-OD2 3.15Å; R310-D733 PolarHBondContact NH1-O 3.08Å; R310-D733 IonicContact NH1-OD2 2.97Å; R310-D733 PolarHBondContact NH2-O 3.02Å; R310-D733 VanDerWaalsContact NH2-O 3.11Å; R310-D733 IonicContact NH2-OD2 2.92Å; R310-D733 PolarHBondContact NH2-OD2 3.28Å; K312-D733 IonicContact NZ-OD2 2.83Å; K312-D733 PolarHBondContact NZ-OD2 3.38Å; W330-D733 VanDerWaalsContact CD1-O 3.31Å; I731-D733 WeakPolarHBondContact CG2-OD1 3.45Å; I731-D733 PolarHBondContact O-N 3.22Å; D733-F735 VanDerWaalsContact C-N 3.33Å
734	A	86.3	Confident	84.9	Confident	20 Å²	20	53.7 Å²	53.7	17%	0.165	26%	0.258	C	S	.	.	S	Bend	trans	-71.2	-26.6	-179.8	0	0	0	0	0	112.8	E329 W330 H730 I731	E329-A734 WeakPolarHBondContact CA-O 3.3Å; W330-A734 PolarHBondContact N-O 3.34Å; H730-A734 HydrophobicContact CB-CB 4.38Å; I731-A734 HydrophobicContact CB-CB 4.31Å; I731-A734 WeakPolarHBondContact O-CB 3.23Å; I731-A734 PolarHBondContact O-N 2.78Å
735	F	87.3	Confident	83.9	Confident	60 Å²	60	59.9 Å²	59.9	26%	0.263	28%	0.284	S	S	.	.	B	Isolated β-bridge	trans	-107.6	164.3	-178.9	-64.3	-36.8	0	0	0	113.9	N328 E329 H730 D733 A739	N328-F735 CarbonylContact O-C 3.6Å; N328-F735 VanDerWaalsContact O-CA 3.24Å; N328-F735 WeakPolarHBondContact O-CA 3.44Å; E329-F735 HydrophobicContact CB-CD1 3.99Å; E329-F735 HydrophobicContact CB-CE1 4.03Å; E329-F735 HydrophobicContact CG-CD1 4.18Å; E329-F735 HydrophobicContact CG-CE1 3.99Å; H730-F735 HydrophobicContact CB-CD2 4.44Å; H730-F735 HydrophobicContact CB-CE2 3.81Å; H730-F735 HydrophobicContact CB-CZ 4.07Å; H730-F735 AromaticContact CD2-CD2 3.3Å; H730-F735 WeakPolarHBondContact CD2-CD2 3.38Å; H730-F735 AromaticContact CD2-CE2 3.46Å; H730-F735 VanDerWaalsContact CD2-CE2 3.46Å; H730-F735 WeakPolarHBondContact CD2-CE2 3.43Å; H730-F735 AromaticContact CE1-CD2 3.99Å; H730-F735 AromaticContact CE1-CE2 3.87Å; H730-F735 AromaticContact CG-CD2 3.71Å; H730-F735 AromaticContact CG-CE2 3.32Å; H730-F735 AromaticContact ND1-CE2 3.58Å; H730-F735 AromaticContact NE2-CD2 3.52Å; H730-F735 AromaticContact NE2-CE2 3.81Å; D733-F735 VanDerWaalsContact C-N 3.33Å; F735-A739 HydrophobicContact CB-CB 4Å
736	S	84.5	Confident	82.5	Confident	6 Å²	6	61.6 Å²	61.6	4%	0.042	29%	0.292	C	S	.	.			trans	-66	155.4	168.8	69.5	0	0	0	0	111.5	N328 E738 A739 E740	N328-S736 WeakPolarHBondContact CB-OG 3.49Å; N328-S736 PolarHBondContact O-N 3.38Å; N328-S736 PolarHBondContact OD1-OG 2.84Å; S736-E738 PolarHBondContact O-N 2.86Å; S736-A739 PolarHBondContact O-N 2.6Å; S736-A739 WeakPolarHBondContact OG-CB 3.45Å; S736-A739 PolarHBondContact OG-N 3.18Å; S736-E740 PolarHBondContact O-N 2.7Å
737	E	82.9	Confident	80.8	Confident	129 Å²	129	61.9 Å²	61.9	60%	0.603	29%	0.294	S	S	*	.	H	α-helix	trans	-58.3	-35.3	-179.2	-165.1	-170.7	150.4	0	0	112	K741	E737-K741 WeakPolarHBondContact O-CB 3.27Å; E737-K741 WeakPolarHBondContact O-CG 3.29Å; E737-K741 PolarHBondContact O-N 3.09Å; E737-K741 VanDerWaalsContact O-N 3.08Å; E737-K741 WeakPolarHBondContact OE1-CE 3.48Å; E737-K741 IonicContact OE1-NZ 2.89Å; E737-K741 PolarHBondContact OE1-NZ 3Å
738	E	80.1	Confident	79	Confident	120 Å²	120	61.9 Å²	61.9	56%	0.561	30%	0.302	S	S	*	.	H	α-helix	trans	-69.8	-37.5	175.5	-65.6	76.9	-165.8	0	0	113	S736 R742	S736-E738 PolarHBondContact O-N 2.86Å; E738-R742 VanDerWaalsContact O-CG 3.3Å; E738-R742 WeakPolarHBondContact O-CG 3.44Å; E738-R742 PolarHBondContact O-N 2.81Å
739	A	79.9	Confident	77	Confident	21 Å²	21	61.8 Å²	61.8	17%	0.174	30%	0.298	C	S	.	.	H	α-helix	trans	-70.8	-40.7	176.8	0	0	0	0	0	111.2	N328 F735 S736 K741 R742 F743	N328-A739 HydrophobicContact CB-CB 3.78Å; F735-A739 HydrophobicContact CB-CB 4Å; S736-A739 PolarHBondContact O-N 2.6Å; S736-A739 WeakPolarHBondContact OG-CB 3.45Å; S736-A739 PolarHBondContact OG-N 3.18Å; A739-K741 PolarHBondContact O-N 3.44Å; A739-R742 WeakPolarHBondContact O-CB 3.15Å; A739-R742 PolarHBondContact O-N 2.89Å; A739-R742 VanDerWaalsContact O-N 3.08Å; A739-F743 PolarHBondContact O-N 2.9Å
740	E	83.1	Confident	74.8	Confident	22 Å²	22	68.1 Å²	68.1	10%	0.103	33%	0.329	C	S	.	.	H	α-helix	trans	-59.6	-45.5	174.6	-170	62.8	-162.2	0	0	111.5	K714 H730 S736 R742 F743 E744	K714-E740 WeakPolarHBondContact CD-OE1 3.43Å; K714-E740 IonicContact NZ-OE1 2.67Å; K714-E740 PolarHBondContact NZ-OE1 2.85Å; H730-E740 IonicContact CD2-OE2 2.93Å; H730-E740 IonicContact NE2-OE1 3.98Å; H730-E740 IonicContact NE2-OE2 3.33Å; H730-E740 PolarHBondContact NE2-OE2 2.94Å; S736-E740 PolarHBondContact O-N 2.7Å; E740-R742 VanDerWaalsContact C-N 3.27Å; E740-R742 PolarHBondContact O-N 2.77Å; E740-F743 WeakPolarHBondContact O-CB 3.45Å; E740-F743 PolarHBondContact O-N 2.84Å; E740-F743 VanDerWaalsContact O-N 3.16Å; E740-E744 PolarHBondContact O-N 2.97Å
741	K	80.6	Confident	72.4	Confident	116 Å²	116	72.5 Å²	72.5	50%	0.504	35%	0.353	S	S	.	.	H	α-helix	trans	-62.5	-32.7	174.9	-77.7	170.6	176.3	162.5	0	113.1	E737 A739 K745	E737-K741 WeakPolarHBondContact O-CB 3.27Å; E737-K741 WeakPolarHBondContact O-CG 3.29Å; E737-K741 PolarHBondContact O-N 3.09Å; E737-K741 VanDerWaalsContact O-N 3.08Å; E737-K741 WeakPolarHBondContact OE1-CE 3.48Å; E737-K741 IonicContact OE1-NZ 2.89Å; E737-K741 PolarHBondContact OE1-NZ 3Å; A739-K741 PolarHBondContact O-N 3.44Å; K741-K745 VanDerWaalsContact O-CB 3.31Å; K741-K745 WeakPolarHBondContact O-CB 3.29Å; K741-K745 PolarHBondContact O-N 2.86Å
742	R	79.3	Confident	69.8	Low	175 Å²	175	78.5 Å²	78.5	66%	0.66	39%	0.386	S	S	*	.	H	α-helix	trans	-71.8	-39.2	175.3	-74	172.2	-175.3	-171.8	3.3	111.3	E738 A739 E740 K745 Y746	E738-R742 VanDerWaalsContact O-CG 3.3Å; E738-R742 WeakPolarHBondContact O-CG 3.44Å; E738-R742 PolarHBondContact O-N 2.81Å; A739-R742 WeakPolarHBondContact O-CB 3.15Å; A739-R742 PolarHBondContact O-N 2.89Å; A739-R742 VanDerWaalsContact O-N 3.08Å; E740-R742 VanDerWaalsContact C-N 3.27Å; E740-R742 PolarHBondContact O-N 2.77Å; R742-K745 PolarHBondContact O-N 3.24Å; R742-Y746 PolarHBondContact O-N 2.97Å; R742-Y746 VanDerWaalsContact O-N 3.15Å
743	F	80.1	Confident	67.6	Low	15 Å²	15	87.3 Å²	87.3	7%	0.066	41%	0.41	C	S	.	.	H	α-helix	trans	-57.4	-50.8	173.7	168.5	-92.4	0	0	0	110.8	I692 K714 N716 N728 H730 A739 E740 K745 Y746	I692-F743 HydrophobicContact CG2-CE1 4.31Å; K714-F743 HydrophobicContact CB-CE1 3.96Å; K714-F743 HydrophobicContact CB-CZ 4.12Å; K714-F743 HydrophobicContact CD-CE1 4.22Å; N716-F743 HydrophobicContact CB-CE2 4.19Å; N716-F743 WeakPolarHBondContact OD1-CE2 3.17Å; N716-F743 WeakPolarHBondContact OD1-CZ 3.22Å; N728-F743 HydrophobicContact CB-CD2 4.3Å; N728-F743 HydrophobicContact CB-CE2 4.03Å; H730-F743 AromaticContact CE1-CD1 3.85Å; H730-F743 AromaticContact CE1-CD2 3.59Å; H730-F743 AromaticContact CE1-CE1 3.78Å; H730-F743 AromaticContact CE1-CE2 3.48Å; H730-F743 VanDerWaalsContact CE1-CE2 3.48Å; H730-F743 WeakPolarHBondContact CE1-CE2 3.31Å; H730-F743 AromaticContact CE1-CG 3.77Å; H730-F743 AromaticContact CE1-CZ 3.59Å; H730-F743 AromaticContact ND1-CE2 3.98Å; A739-F743 PolarHBondContact O-N 2.9Å; E740-F743 WeakPolarHBondContact O-CB 3.45Å; E740-F743 PolarHBondContact O-N 2.84Å; E740-F743 VanDerWaalsContact O-N 3.16Å; F743-K745 VanDerWaalsContact C-N 3.33Å; F743-K745 PolarHBondContact O-N 2.87Å; F743-Y746 CarbonylContact O-C 3.57Å; F743-Y746 PolarHBondContact O-N 3.03Å
744	E	75.2	Confident	65.2	Low	84 Å²	84	92.7 Å²	92.7	39%	0.393	44%	0.438	S	S	.	.	H	α-helix	trans	-65.7	-33.5	-179.7	-67.2	-178.1	164.8	0	0	113.3	I692 K714 E740	I692-E744 HydrophobicContact CD1-CG 4.35Å; K714-E744 IonicContact NZ-OE1 3.26Å; K714-E744 PolarHBondContact NZ-OE1 2.74Å; E740-E744 PolarHBondContact O-N 2.97Å
745	K	69.2	Low	62.4	Low	152 Å²	152	97.3 Å²	97.3	66%	0.661	47%	0.468	S	S	*	.	H	α-helix	trans	-76	-26.6	-178.6	-169.2	173.8	-179.1	-179.3	0	113.4	K741 R742 F743	K741-K745 VanDerWaalsContact O-CB 3.31Å; K741-K745 WeakPolarHBondContact O-CB 3.29Å; K741-K745 PolarHBondContact O-N 2.86Å; R742-K745 PolarHBondContact O-N 3.24Å; F743-K745 VanDerWaalsContact C-N 3.33Å; F743-K745 PolarHBondContact O-N 2.87Å
746	Y	61.9	Low	59.6	Low	138 Å²	138	103.1 Å²	103.1	54%	0.541	50%	0.496	S	S	.	.			trans	-129	76.5	-177.1	-65.8	-80.3	0	0	0	111	R742 F743 G748	R742-Y746 PolarHBondContact O-N 2.97Å; R742-Y746 VanDerWaalsContact O-N 3.15Å; F743-Y746 CarbonylContact O-C 3.57Å; F743-Y746 PolarHBondContact O-N 3.03Å; Y746-G748 PolarHBondContact O-N 2.56Å
747	P	54.6	Low	57.1	Low	21 Å²	21	114.4 Å²	114.4	14%	0.136	56%	0.555	C	S	.	*			trans	-71.2	8.1	179.1	29.2	-35.1	0	0	0	114	N690	N690-P747 HydrophobicContact CB-CB 4.33Å; N690-P747 HydrophobicContact CB-CG 4.11Å
748	G	51.3	Low	55.8	Low	27 Å²	27	113.7 Å²	113.7	28%	0.278	55%	0.553	S	S	.	*	S	Bend	trans	-117.1	151.5	-173.6	0	0	0	0	0	113.8	Y746 I750	Y746-G748 PolarHBondContact O-N 2.56Å; G748-I750 PolarHBondContact O-N 2.96Å
749	Q	48.1	Very low	54.5	Low	91 Å²	91	113.4 Å²	113.4	43%	0.425	55%	0.552	S	S	.	*			trans	-50.7	125.8	169.9	-83.2	179.6	-36.5	0	0	111.8	N751	Q749-N751 VanDerWaalsContact C-N 3.29Å
750	I	44.8	Very low	53.1	Low	150 Å²	150	118.5 Å²	118.5	77%	0.769	57%	0.573	S	S	*	*	S	Bend	trans	-83.1	-12.1	166.5	-63.2	174.8	0	0	0	110.4	G748	G748-I750 PolarHBondContact O-N 2.96Å
751	N	39.9	Very low	51.3	Low	102 Å²	102	124.2 Å²	124.2	55%	0.545	60%	0.601	S	S	.	*	S	Bend	trans	-158.4	137	-175	42.3	5.3	0	0	0	112.9	Q749 R753	Q749-N751 VanDerWaalsContact C-N 3.29Å; N751-R753 PolarHBondContact O-N 3.37Å
752	N	36.1	Very low	49.5	Very low	148 Å²	148	124.7 Å²	124.7	79%	0.791	61%	0.607	S	S	*	*			trans	-72	51.1	172.6	-71.5	-18.1	0	0	0	112.1	I754	N752-I754 PolarHBondContact O-N 3.06Å
753	R	31.3	Very low	47.5	Very low	213 Å²	213	121.3 Å²	121.3	80%	0.804	60%	0.603	S	S	*	*			trans	-89.2	88.6	165.5	-78.7	-166.8	177.8	-174.3	0	108.1	N751 S755	N751-R753 PolarHBondContact O-N 3.37Å; R753-S755 PolarHBondContact O-N 3.16Å
754	I	33.3	Very low	45.2	Very low	137 Å²	137	128.9 Å²	128.9	70%	0.703	64%	0.642	S	S	*	*			trans	-57.4	120.9	157	-61.5	171.7	0	0	0	105.6	N752 Q756	N752-I754 PolarHBondContact O-N 3.06Å; I754-Q756 VanDerWaalsContact C-N 3.28Å; I754-Q756 PolarHBondContact O-N 3.04Å
755	S	27.8	Very low	42.9	Very low	116 Å²	116	132.4 Å²	132.4	81%	0.811	66%	0.661	S	S	*	*			trans	-57.8	99.6	161.9	-32.4	0	0	0	0	106	R753 L757	R753-S755 PolarHBondContact O-N 3.16Å; S755-L757 PolarHBondContact O-N 3.29Å; S755-L757 VanDerWaalsContact O-N 3.16Å
756	Q	26.9	Very low	40.7	Very low	183 Å²	183	130.8 Å²	130.8	86%	0.855	66%	0.661	S	S	*	*			trans	-69	109.5	168.8	-72.2	-176.8	-20.7	0	0	105.9	I754	I754-Q756 VanDerWaalsContact C-N 3.28Å; I754-Q756 PolarHBondContact O-N 3.04Å
757	L	32	Very low	38.7	Very low	243 Å²	243	130.1 Å²	130.1	100%	1.272	67%	0.672	S	S	*	*			trans	-62.3	0	153.6	-88.9	160.6	0	0	0	109.1	S755	S755-L757 PolarHBondContact O-N 3.29Å; S755-L757 VanDerWaalsContact O-N 3.16Å

Retrieved 757 of 757 residues in 2011 ms (Link to these results)

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