A0A096NVU8_PAPAN Loading...

Acetyl-coenzyme A synthetase

AlphaFold DB , UniProt , Accession A0A096NVU8, Species PAPAN (Papio anubis, Olive baboon), Gene ACSS1, Length 688 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	27.4	Very low	25.8	Very low	243 Å²	243	144.4 Å²	144.4	100%	1.197	86%	0.861	S	S	*	*				0	119.4	0	-94.6	-174	-112.2	0	0	108
2	A	25.1	Very low	25.9	Very low	105 Å²	105	152.6 Å²	152.6	87%	0.868	87%	0.865	S	S	*	*			trans	36.9	145.8	159.7	0	0	0	0	0	121.7
3	A	24.1	Very low	26	Very low	81 Å²	81	154.2 Å²	154.2	67%	0.669	87%	0.869	S	S	*	*			cis	174.5	142.2	-18.4	0	0	0	0	0	105.1
4	R	25.9	Very low	26.2	Very low	247 Å²	247	155.4 Å²	155.4	93%	0.932	87%	0.87	S	S	*	*			trans	60.5	115.2	148.3	-65.5	172.2	177.8	-167.2	-1.1	119
5	S	24.3	Very low	26	Very low	107 Å²	107	150.2 Å²	150.2	75%	0.748	87%	0.866	S	S	*	*				-177	151	109.9	72.1	0	0	0	0	111.6
6	L	26.9	Very low	26	Very low	174 Å²	174	147.9 Å²	147.9	91%	0.911	86%	0.862	S	S	*	*			trans	87.8	69.6	165.1	-57.8	164.2	0	0	0	117.7
7	G	23.1	Very low	25.9	Very low	67 Å²	67	149.8 Å²	149.8	69%	0.691	87%	0.866	S	S	*	*			trans	-130.4	129.1	147	0	0	0	0	0	109
8	R	27.6	Very low	26	Very low	260 Å²	260	155.7 Å²	155.7	98%	0.981	87%	0.872	S	S	*	*			trans	147.5	112.4	156.4	-84.8	167.8	-176.1	-145.2	-0.6	110.4
9	G	24.2	Very low	25.9	Very low	78 Å²	78	151.4 Å²	151.4	80%	0.804	87%	0.866	S	S	*	*			trans	-164.6	35.3	179.6	0	0	0	0	0	115.2
10	V	28.5	Very low	25.9	Very low	156 Å²	156	153 Å²	153	95%	0.945	87%	0.871	S	S	*	*	S	Bend	trans	-152	114.5	160.1	-171	0	0	0	0	107.6
11	G	26.5	Very low	25.9	Very low	70 Å²	70	151.4 Å²	151.4	72%	0.722	87%	0.869	S	S	*	*			trans	145.8	68.7	-179	0	0	0	0	0	112.1
12	R	27.1	Very low	25.7	Very low	243 Å²	243	143.7 Å²	143.7	92%	0.917	85%	0.852	S	S	*	*			trans	-180	93.1	160.9	-104.1	168.2	-169.9	-146.9	2.4	109.4
13	L	27.7	Very low	25.6	Very low	173 Å²	173	147.7 Å²	147.7	91%	0.906	85%	0.853	S	S	*	*	S	Bend	trans	-149.2	22.6	158.1	-119.2	149.6	0	0	0	113.7
14	L	28.3	Very low	26.1	Very low	171 Å²	171	149 Å²	149	90%	0.895	86%	0.855	S	S	*	*	S	Bend	trans	-140.5	111.5	167.7	-75.9	166.6	0	0	0	109.2
15	G	23.2	Very low	26.1	Very low	78 Å²	78	141.7 Å²	141.7	80%	0.804	85%	0.847	S	S	*	*			trans	125.2	91.2	164.8	0	0	0	0	0	115.8
16	S	25.6	Very low	26.2	Very low	114 Å²	114	147.9 Å²	147.9	80%	0.797	85%	0.854	S	S	*	*				172.4	110.7	125.3	62.6	0	0	0	0	111.3
17	L	25.6	Very low	26.7	Very low	180 Å²	180	144.3 Å²	144.3	94%	0.942	84%	0.841	S	S	*	*			trans	-148.9	99.4	145.6	-83.3	-178.5	0	0	0	109.1
18	R	26.7	Very low	26.8	Very low	255 Å²	255	148.4 Å²	148.4	96%	0.962	85%	0.846	S	S	*	*			trans	-143.4	125.8	152.6	-95.2	-166.3	178.6	-166.9	1	109.7
19	G	24.5	Very low	26.7	Very low	74 Å²	74	142.4 Å²	142.4	76%	0.763	84%	0.843	S	S	*	*			trans	102.8	107.3	145.4	0	0	0	0	0	116.1
20	L	26	Very low	26.6	Very low	184 Å²	184	149.4 Å²	149.4	96%	0.963	85%	0.845	S	S	*	*				-159.2	135.3	126.7	-95.8	168.3	0	0	0	108.7
21	S	25.3	Very low	26.5	Very low	120 Å²	120	149.2 Å²	149.2	84%	0.839	84%	0.844	S	S	*	*			trans	-103.2	150.5	-170.6	50.5	0	0	0	0	112.9
22	G	23.9	Very low	26.4	Very low	81 Å²	81	150.6 Å²	150.6	84%	0.835	84%	0.842	S	S	*	*			trans	167.3	101.5	164.1	0	0	0	0	0	115.6
23	Q	23.1	Very low	26.3	Very low	188 Å²	188	143.5 Å²	143.5	88%	0.879	84%	0.836	S	S	*	*			trans	-52.7	-174.8	176	-80.4	-171.1	-6.4	0	0	118.7
24	P	34.5	Very low	26.4	Very low	109 Å²	109	141.3 Å²	141.3	71%	0.708	83%	0.832	S	S	*	*			cis	-137.2	164.3	2.6	22.1	3.9	0	0	0	119.2
25	A	26.2	Very low	26.1	Very low	93 Å²	93	145 Å²	145	77%	0.769	83%	0.833	S	S	*	*			trans	39.4	140.7	138	0	0	0	0	0	121.3
26	R	26.6	Very low	26.2	Very low	238 Å²	238	153.3 Å²	153.3	90%	0.898	84%	0.841	S	S	*	*			cis	175.6	-171.9	41.9	-136.2	-175.2	-160.9	-170.5	5.6	108.9
27	P	36.7	Very low	26.1	Very low	98 Å²	98	152.9 Å²	152.9	64%	0.636	84%	0.844	S	S	*	*				-126.2	-173.5	-96.8	40.8	-21.1	0	0	0	117
28	L	24.8	Very low	26.1	Very low	154 Å²	154	149 Å²	149	81%	0.806	84%	0.838	S	S	*	*			trans	105.5	115.6	153.8	-64.3	152.8	0	0	0	117.9
29	C	24.8	Very low	26.1	Very low	134 Å²	134	142.7 Å²	142.7	91%	0.905	83%	0.833	S	S	*	*				-166	144.4	90.8	-136.4	0	0	0	0	112.3
30	R	23	Very low	26.2	Very low	225 Å²	225	142.6 Å²	142.6	85%	0.849	83%	0.832	S	S	*	*			trans	-94	148.8	-176.6	-74.3	171.6	165	-177	-4.3	110.6
31	V	25.6	Very low	26.3	Very low	152 Å²	152	139.5 Å²	139.5	92%	0.921	82%	0.823	S	S	*	*			trans	-137.1	134.5	139.2	-176.5	0	0	0	0	108.9
32	S	24.4	Very low	26.7	Very low	98 Å²	98	139.9 Å²	139.9	69%	0.685	83%	0.826	S	S	*	*			trans	-110.2	136	-166.2	47.7	0	0	0	0	112.3
33	A	25.7	Very low	26.8	Very low	95 Å²	95	139.4 Å²	139.4	79%	0.785	82%	0.82	S	S	*	*				100	157.6	115.1	0	0	0	0	0	115.1
34	P	29.3	Very low	27.2	Very low	126 Å²	126	135.9 Å²	135.9	82%	0.818	82%	0.817	S	S	*	*			cis	-128	160.3	10.7	35.9	-17.2	0	0	0	117.3
35	R	23.4	Very low	26.7	Very low	248 Å²	248	135 Å²	135	94%	0.936	82%	0.818	S	S	*	*			trans	-80.5	141.8	167.2	-77.1	174.9	163.9	-173.2	-5.7	110.8
36	R	24.1	Very low	26.8	Very low	253 Å²	253	136.5 Å²	136.5	96%	0.955	82%	0.82	S	S	*	*			trans	-117.6	126	145.4	-102	-176.6	172.1	-173.6	-1.9	108
37	A	23.4	Very low	26.8	Very low	106 Å²	106	129.4 Å²	129.4	88%	0.876	81%	0.813	S	S	*	*			trans	-84.7	134	177.5	0	0	0	0	0	109.9
38	A	25.5	Very low	26.4	Very low	98 Å²	98	131.3 Å²	131.3	81%	0.81	82%	0.822	S	S	*	*			trans	-145.5	129.5	154.4	0	0	0	0	0	107.9
39	S	27.9	Very low	26.9	Very low	123 Å²	123	128.5 Å²	128.5	86%	0.86	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-50.4	125.9	-179.6	46.2	0	0	0	0	113.9
40	G	25.1	Very low	27.1	Very low	72 Å²	72	125.5 Å²	125.5	74%	0.742	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-96.6	133.4	172.5	0	0	0	0	0	112
41	P	28.4	Very low	27.8	Very low	119 Å²	119	115.7 Å²	115.7	77%	0.773	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-75.3	151.3	164.6	32.4	-29.7	0	0	0	109.6	G43	P41-G43 PolarHBondContact O-N 3.2Å
42	S	35.1	Very low	28.8	Very low	128 Å²	128	113 Å²	113	90%	0.895	76%	0.761	S	S	*	*			trans	-47.9	101.7	173.1	49.6	0	0	0	0	111.9
43	G	25.8	Very low	30.2	Very low	70 Å²	70	111.5 Å²	111.5	72%	0.722	74%	0.743	S	S	*	*			trans	-103.6	108.9	173.5	0	0	0	0	0	110.2	P41 A45	P41-G43 PolarHBondContact O-N 3.2Å; G43-A45 PolarHBondContact O-N 2.94Å
44	S	30.3	Very low	31.8	Very low	115 Å²	115	112.9 Å²	112.9	80%	0.804	74%	0.744	S	S	*	*			trans	-51.2	125.6	155.4	48	0	0	0	0	109.1
45	A	25.1	Very low	33.9	Very low	89 Å²	89	109.2 Å²	109.2	74%	0.736	73%	0.729	S	S	*	*			trans	-54.8	139.3	171.4	0	0	0	0	0	109.7	G43 A47	G43-A45 PolarHBondContact O-N 2.94Å; A45-A47 PolarHBondContact O-N 3.46Å; A45-A47 VanDerWaalsContact O-N 3.08Å
46	P	27.1	Very low	37.1	Very low	125 Å²	125	100 Å²	100	81%	0.812	70%	0.703	S	S	*	*			trans	-68.3	114.9	179.7	2.2	10.1	0	0	0	108.7	V48	P46-V48 PolarHBondContact O-N 2.96Å
47	A	27.2	Very low	40.3	Very low	90 Å²	90	89.6 Å²	89.6	74%	0.744	66%	0.664	S	S	*	*			trans	-55.7	135.4	162.4	0	0	0	0	0	108.5	A45 A49	A45-A47 PolarHBondContact O-N 3.46Å; A45-A47 VanDerWaalsContact O-N 3.08Å; A47-A49 VanDerWaalsContact C-N 3.26Å; A47-A49 PolarHBondContact O-N 3.29Å
48	V	29	Very low	43.6	Very low	138 Å²	138	88.3 Å²	88.3	84%	0.836	65%	0.646	S	S	*	*			trans	-65	87.8	178.1	-179.7	0	0	0	0	108.8	P46	P46-V48 PolarHBondContact O-N 2.96Å
49	A	34.1	Very low	46.9	Very low	95 Å²	95	86 Å²	86	79%	0.785	63%	0.627	S	S	*	*			trans	-102.1	103.7	163	0	0	0	0	0	107.1	A47	A47-A49 VanDerWaalsContact C-N 3.26Å; A47-A49 PolarHBondContact O-N 3.29Å
50	A	29.1	Very low	50.1	Low	71 Å²	71	80.9 Å²	80.9	59%	0.587	59%	0.59	S	S	*	*			trans	-159.1	136.5	164.3	0	0	0	0	0	110.9
51	A	37.6	Very low	53.4	Low	18 Å²	18	78.7 Å²	78.7	15%	0.149	56%	0.563	C	S	.	*			trans	74.9	62.9	174.6	0	0	0	0	0	117.4	L75 D78 K319	A51-L75 HydrophobicContact CB-CD2 4.47Å; A51-D78 HydrophobicContact CB-CB 4.24Å; A51-K319 PolarHBondContact O-NZ 2.95Å
52	S	46.8	Very low	56.5	Low	95 Å²	95	74.8 Å²	74.8	66%	0.664	54%	0.541	S	S	*	.	S	Bend		-111.2	121.6	117.5	35.7	0	0	0	0	105.7	P54	S52-P54 WeakPolarHBondContact O-CD 3.34Å; S52-P54 VanDerWaalsContact O-N 3.17Å
53	Q	55	Low	59.4	Low	67 Å²	67	71.2 Å²	71.2	31%	0.313	51%	0.51	S	S	.	.			trans	-54.9	122.7	169.1	-79.5	-85.3	-10.9	0	0	106.9	G55 L60 L75	Q53-G55 PolarHBondContact O-N 3.4Å; Q53-L60 HydrophobicContact CB-CD2 3.56Å; Q53-L75 HydrophobicContact CG-CD2 4.39Å
54	P	58.6	Low	62.8	Low	124 Å²	124	67.9 Å²	67.9	81%	0.805	48%	0.476	S	S	*	.	S	Bend	trans	-63.3	121.2	177.9	24.5	-31	0	0	0	108.5	S52	S52-P54 WeakPolarHBondContact O-CD 3.34Å; S52-P54 VanDerWaalsContact O-N 3.17Å
55	G	73.8	Confident	65.9	Low	50 Å²	50	64.2 Å²	64.2	52%	0.515	45%	0.453	S	S	.	.	S	Bend	trans	167.2	154	-178.1	0	0	0	0	0	111.9	Q53	Q53-G55 PolarHBondContact O-N 3.4Å
56	S	89	Confident	69.3	Low	53 Å²	53	69 Å²	69	37%	0.371	45%	0.452	S	S	.	.			trans	-67.7	152.3	172	62.9	0	0	0	0	110.4	P58 A59 L60 E458	S56-P58 VanDerWaalsContact C-N 3.34Å; S56-A59 PolarHBondContact O-N 3.1Å; S56-A59 VanDerWaalsContact O-N 3.08Å; S56-A59 WeakPolarHBondContact OG-CB 3.45Å; S56-L60 PolarHBondContact O-N 3.32Å; S56-E458 WeakPolarHBondContact CA-OE1 3.27Å; S56-E458 WeakPolarHBondContact CB-OE1 3.35Å
57	Y	93	Very high	72.6	Confident	36 Å²	36	68.2 Å²	68.2	14%	0.141	44%	0.438	C	S	.	.	H	α-helix	trans	-50.3	-48	175.7	162.2	-92.1	0	0	0	112.1	A59 L60 S61 P456 E458 P471 F473	Y57-A59 VanDerWaalsContact C-N 3.32Å; Y57-A59 PolarHBondContact O-N 3.41Å; Y57-L60 PolarHBondContact O-N 3.46Å; Y57-S61 VanDerWaalsContact CE2-OG 3.28Å; Y57-S61 WeakPolarHBondContact CE2-OG 3.4Å; Y57-S61 WeakPolarHBondContact O-CB 3.45Å; Y57-S61 PolarHBondContact O-N 3.09Å; Y57-S61 PolarHBondContact O-OG 2.9Å; Y57-S61 VanDerWaalsContact O-OG 3.11Å; Y57-P456 HydrophobicContact CD2-CG 4.4Å; Y57-P456 WeakPolarHBondContact CD2-O 3.31Å; Y57-P456 WeakPolarHBondContact CE2-O 3.37Å; Y57-E458 PolarHBondContact N-OE1 3.14Å; Y57-P471 PolarHBondContact OH-O 3.22Å; Y57-F473 HydrophobicContact CD2-CD1 4.47Å; Y57-F473 AromaticContact CD2-CE1 3.57Å; Y57-F473 HydrophobicContact CD2-CE1 3.57Å; Y57-F473 HydrophobicContact CD2-CZ 4.07Å; Y57-F473 HydrophobicContact CE2-CD1 4.5Å; Y57-F473 HydrophobicContact CE2-CE1 4.01Å; Y57-F473 HydrophobicContact CG-CE1 4.45Å
58	P	92.5	Very high	75.8	Confident	78 Å²	78	64.2 Å²	64.2	51%	0.506	40%	0.404	S	S	.	.	H	α-helix	trans	-60.9	-38.1	178.4	-24.2	35.4	0	0	0	113.6	S56 A62	S56-P58 VanDerWaalsContact C-N 3.34Å; P58-A62 VanDerWaalsContact O-CB 3.24Å; P58-A62 WeakPolarHBondContact O-CB 3.46Å; P58-A62 PolarHBondContact O-N 3.23Å
59	A	94.1	Very high	79	Confident	49 Å²	49	59.6 Å²	59.6	41%	0.405	38%	0.38	S	S	.	.	H	α-helix	trans	-67.9	-45.1	179.7	0	0	0	0	0	111.6	S56 Y57 A62 Q63	S56-A59 PolarHBondContact O-N 3.1Å; S56-A59 VanDerWaalsContact O-N 3.08Å; S56-A59 WeakPolarHBondContact OG-CB 3.45Å; Y57-A59 VanDerWaalsContact C-N 3.32Å; Y57-A59 PolarHBondContact O-N 3.41Å; A59-A62 PolarHBondContact O-N 3.05Å; A59-Q63 WeakPolarHBondContact O-CB 3.18Å; A59-Q63 PolarHBondContact O-N 3.22Å
60	L	94.5	Very high	82	Confident	17 Å²	17	57.3 Å²	57.3	9%	0.089	36%	0.362	C	S	.	.	H	α-helix	trans	-66.1	-42.2	177.4	-66.4	176	0	0	0	111.7	Q53 S56 Y57 A62 Q63 A64 F71 F473	Q53-L60 HydrophobicContact CB-CD2 3.56Å; S56-L60 PolarHBondContact O-N 3.32Å; Y57-L60 PolarHBondContact O-N 3.46Å; L60-A62 PolarHBondContact O-N 3.27Å; L60-Q63 PolarHBondContact O-N 2.99Å; L60-A64 WeakPolarHBondContact O-CB 3.46Å; L60-A64 PolarHBondContact O-N 2.98Å; L60-F71 HydrophobicContact CB-CE2 4.22Å; L60-F71 HydrophobicContact CD2-CE2 4.29Å; L60-F473 HydrophobicContact CB-CD1 4.07Å; L60-F473 HydrophobicContact CB-CE1 3.59Å; L60-F473 HydrophobicContact CB-CZ 3.92Å; L60-F473 HydrophobicContact CD1-CE1 4.43Å; L60-F473 HydrophobicContact CD1-CE2 4.39Å; L60-F473 HydrophobicContact CD1-CZ 3.9Å
61	S	94.5	Very high	85.3	Confident	25 Å²	25	54.1 Å²	54.1	18%	0.175	33%	0.334	C	S	.	.	H	α-helix	trans	-61.7	-43.3	174.5	-66.9	0	0	0	0	111.9	Y57 A64 A65 F473	Y57-S61 VanDerWaalsContact CE2-OG 3.28Å; Y57-S61 WeakPolarHBondContact CE2-OG 3.4Å; Y57-S61 WeakPolarHBondContact O-CB 3.45Å; Y57-S61 PolarHBondContact O-N 3.09Å; Y57-S61 PolarHBondContact O-OG 2.9Å; Y57-S61 VanDerWaalsContact O-OG 3.11Å; S61-A64 PolarHBondContact O-N 3.07Å; S61-A65 WeakPolarHBondContact O-CB 3.43Å; S61-A65 PolarHBondContact O-N 3.14Å; S61-A65 VanDerWaalsContact O-N 3.08Å; S61-F473 WeakPolarHBondContact OG-CD1 3.48Å; S61-F473 WeakPolarHBondContact OG-CE1 3.38Å
62	A	95.3	Very high	88.1	Confident	38 Å²	38	53.3 Å²	53.3	31%	0.314	33%	0.327	S	S	.	.	H	α-helix	trans	-66.5	-35.9	176.7	0	0	0	0	0	112.6	P58 A59 L60 R66	P58-A62 VanDerWaalsContact O-CB 3.24Å; P58-A62 WeakPolarHBondContact O-CB 3.46Å; P58-A62 PolarHBondContact O-N 3.23Å; A59-A62 PolarHBondContact O-N 3.05Å; L60-A62 PolarHBondContact O-N 3.27Å; A62-R66 WeakPolarHBondContact O-CB 3.45Å; A62-R66 WeakPolarHBondContact O-CG 3.33Å; A62-R66 PolarHBondContact O-N 3.31Å; A62-R66 VanDerWaalsContact O-N 3.07Å; A62-R66 PolarHBondContact O-NE 3.39Å
63	Q	95.8	Very high	90.6	Very high	52 Å²	52	49 Å²	49	24%	0.243	30%	0.297	C	S	.	.	H	α-helix	trans	-67	-47.1	173.8	-172.9	-175.8	14.2	0	0	111.1	A59 L60 A65 R66 E67 F71	A59-Q63 WeakPolarHBondContact O-CB 3.18Å; A59-Q63 PolarHBondContact O-N 3.22Å; L60-Q63 PolarHBondContact O-N 2.99Å; Q63-A65 PolarHBondContact O-N 3.41Å; Q63-R66 PolarHBondContact O-N 3.18Å; Q63-E67 PolarHBondContact O-N 3Å; Q63-F71 HydrophobicContact CB-CD2 4.39Å; Q63-F71 HydrophobicContact CG-CD2 4.31Å
64	A	95.9	Very high	92.6	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-61.7	-29.4	179.9	0	0	0	0	0	113.4	L60 S61 P68 F71 F473 G474 Q500	L60-A64 WeakPolarHBondContact O-CB 3.46Å; L60-A64 PolarHBondContact O-N 2.98Å; S61-A64 PolarHBondContact O-N 3.07Å; A64-P68 WeakPolarHBondContact O-CG 3.36Å; A64-F71 HydrophobicContact CB-CB 4.25Å; A64-F71 HydrophobicContact CB-CD1 3.54Å; A64-F71 HydrophobicContact CB-CD2 3.82Å; A64-F71 HydrophobicContact CB-CE1 3.74Å; A64-F71 HydrophobicContact CB-CE2 4Å; A64-F71 HydrophobicContact CB-CG 3.58Å; A64-F71 HydrophobicContact CB-CZ 3.97Å; A64-F473 HydrophobicContact CB-CB 4.2Å; A64-G474 VanDerWaalsContact CB-N 3.33Å; A64-Q500 PolarHBondContact O-NE2 3.25Å
65	A	95.3	Very high	94.5	Very high	39 Å²	39	41.8 Å²	41.8	32%	0.322	26%	0.256	S	S	.	.	H	α-helix	trans	-82.1	-36.8	175.1	0	0	0	0	0	113.4	S61 Q63 V476 Q500	S61-A65 WeakPolarHBondContact O-CB 3.43Å; S61-A65 PolarHBondContact O-N 3.14Å; S61-A65 VanDerWaalsContact O-N 3.08Å; Q63-A65 PolarHBondContact O-N 3.41Å; A65-V476 HydrophobicContact CB-CG2 3.8Å; A65-Q500 PolarHBondContact O-OE1 3.06Å
66	R	96.8	Very high	95.7	Very high	188 Å²	188	39.4 Å²	39.4	71%	0.709	23%	0.231	S	C	*	.	H	α-helix	trans	-83	-38.2	-177.8	-72	-176.8	-64.3	-164.4	3.4	113.2	A62 Q63	A62-R66 WeakPolarHBondContact O-CB 3.45Å; A62-R66 WeakPolarHBondContact O-CG 3.33Å; A62-R66 PolarHBondContact O-N 3.31Å; A62-R66 VanDerWaalsContact O-N 3.07Å; A62-R66 PolarHBondContact O-NE 3.39Å; Q63-R66 PolarHBondContact O-N 3.18Å
67	E	96.3	Very high	96.1	Very high	110 Å²	110	43.6 Å²	43.6	51%	0.514	24%	0.239	S	C	.	.			trans	-135.1	67.5	-171.7	-58.8	177.7	112.4	0	0	110.9	Q63 A69 A70 F71	Q63-E67 PolarHBondContact O-N 3Å; E67-A69 VanDerWaalsContact C-N 3.29Å; E67-A69 PolarHBondContact O-N 3.09Å; E67-A70 HydrophobicContact CB-CB 3.88Å; E67-A70 PolarHBondContact O-N 3.47Å; E67-F71 PolarHBondContact O-N 3.41Å
68	P	95.5	Very high	96.2	Very high	5 Å²	5	45.8 Å²	45.8	3%	0.032	25%	0.253	C	S	.	.	H	α-helix	trans	-59.8	-38.1	-170.8	-24.9	36.4	0	0	0	112.9	A64 F71 W72 W90 W101 Q500	A64-P68 WeakPolarHBondContact O-CG 3.36Å; P68-F71 PolarHBondContact O-N 2.92Å; P68-W72 WeakPolarHBondContact O-CB 3.39Å; P68-W72 PolarHBondContact O-N 3.17Å; P68-W90 HydrophobicContact CB-CD2 4.1Å; P68-W90 HydrophobicContact CB-CE3 3.71Å; P68-W90 HydrophobicContact CB-CH2 4.24Å; P68-W90 HydrophobicContact CB-CZ3 3.8Å; P68-W90 VanDerWaalsContact CD-CZ3 3.49Å; P68-W90 HydrophobicContact CG-CE3 3.85Å; P68-W90 HydrophobicContact CG-CH2 3.63Å; P68-W90 HydrophobicContact CG-CZ2 4.3Å; P68-W90 HydrophobicContact CG-CZ3 3.37Å; P68-W101 HydrophobicContact CB-CH2 4.26Å; P68-Q500 VanDerWaalsContact CG-CD 3.44Å; P68-Q500 HydrophobicContact CG-CG 4.45Å
69	A	96.6	Very high	96.4	Very high	42 Å²	42	43.6 Å²	43.6	35%	0.347	24%	0.239	S	C	.	.	H	α-helix	trans	-64.2	-40.7	176.5	0	0	0	0	0	112.7	E67 F71 G73 V89 W90	E67-A69 VanDerWaalsContact C-N 3.29Å; E67-A69 PolarHBondContact O-N 3.09Å; A69-F71 VanDerWaalsContact C-N 3.32Å; A69-G73 WeakPolarHBondContact O-CA 3.37Å; A69-G73 PolarHBondContact O-N 3.05Å; A69-V89 HydrophobicContact CB-CB 3.99Å; A69-V89 HydrophobicContact CB-CG1 4.2Å; A69-W90 HydrophobicContact CB-CB 4.34Å
70	A	96.4	Very high	96.7	Very high	47 Å²	47	41.6 Å²	41.6	39%	0.388	22%	0.221	S	C	.	.	H	α-helix	trans	-72.9	-27.4	179	0	0	0	0	0	112.3	E67 P74	E67-A70 HydrophobicContact CB-CB 3.88Å; E67-A70 PolarHBondContact O-N 3.47Å; A70-P74 WeakPolarHBondContact O-CD 3.3Å; A70-P74 WeakPolarHBondContact O-CG 3.17Å
71	F	97.4	Very high	96.9	Very high	4 Å²	4	44.1 Å²	44.1	2%	0.018	23%	0.234	C	C	.	.	H	α-helix	trans	-78.8	-56.1	175.6	-176.6	-96.1	0	0	0	112.2	L60 Q63 A64 E67 P68 A69 L75 F473	L60-F71 HydrophobicContact CB-CE2 4.22Å; L60-F71 HydrophobicContact CD2-CE2 4.29Å; Q63-F71 HydrophobicContact CB-CD2 4.39Å; Q63-F71 HydrophobicContact CG-CD2 4.31Å; A64-F71 HydrophobicContact CB-CB 4.25Å; A64-F71 HydrophobicContact CB-CD1 3.54Å; A64-F71 HydrophobicContact CB-CD2 3.82Å; A64-F71 HydrophobicContact CB-CE1 3.74Å; A64-F71 HydrophobicContact CB-CE2 4Å; A64-F71 HydrophobicContact CB-CG 3.58Å; A64-F71 HydrophobicContact CB-CZ 3.97Å; E67-F71 PolarHBondContact O-N 3.41Å; P68-F71 PolarHBondContact O-N 2.92Å; A69-F71 VanDerWaalsContact C-N 3.32Å; F71-L75 HydrophobicContact CD1-CD1 3.91Å; F71-L75 HydrophobicContact CE1-CD1 3.46Å; F71-L75 VanDerWaalsContact CE1-CD1 3.46Å; F71-L75 HydrophobicContact CE2-CD1 4.41Å; F71-L75 HydrophobicContact CZ-CD1 3.75Å; F71-L75 WeakPolarHBondContact O-CG 3.42Å; F71-F473 HydrophobicContact CE1-CB 3.65Å; F71-F473 HydrophobicContact CE1-CG 4.36Å; F71-F473 HydrophobicContact CZ-CB 3.53Å; F71-F473 HydrophobicContact CZ-CD1 4.48Å; F71-F473 AromaticContact CZ-CD2 3.93Å; F71-F473 HydrophobicContact CZ-CD2 3.93Å; F71-F473 AromaticContact CZ-CG 3.75Å; F71-F473 HydrophobicContact CZ-CG 3.75Å
72	W	98.2	Very high	97.1	Very high	1 Å²	1	45.1 Å²	45.1	0%	0.004	23%	0.234	C	C	.	.	H	α-helix	trans	-75.9	-30.3	-173.7	-68.3	114.2	0	0	0	113.5	P68 L75 A76 V89 W101 F102 L312 Y313 L316 F472 F473 P503	P68-W72 WeakPolarHBondContact O-CB 3.39Å; P68-W72 PolarHBondContact O-N 3.17Å; W72-L75 HydrophobicContact CE3-CD1 4.08Å; W72-L75 HydrophobicContact CZ3-CD1 4.34Å; W72-L75 PolarHBondContact O-N 2.99Å; W72-A76 WeakPolarHBondContact O-CB 3.39Å; W72-A76 PolarHBondContact O-N 3.15Å; W72-V89 HydrophobicContact CB-CG1 4.25Å; W72-W101 HydrophobicContact CB-CE3 4.42Å; W72-W101 HydrophobicContact CB-CZ3 3.8Å; W72-W101 AromaticContact CD1-CH2 3.45Å; W72-W101 VanDerWaalsContact CD1-CH2 3.45Å; W72-W101 AromaticContact CD1-CZ3 3.43Å; W72-W101 VanDerWaalsContact CD1-CZ3 3.43Å; W72-W101 HydrophobicContact CG-CH2 4.2Å; W72-W101 AromaticContact CG-CZ3 3.77Å; W72-W101 HydrophobicContact CG-CZ3 3.77Å; W72-W101 AromaticContact NE1-CH2 3.96Å; W72-F102 HydrophobicContact CB-CE1 4.39Å; W72-F102 HydrophobicContact CB-CZ 4.27Å; W72-L312 HydrophobicContact CE3-CD2 4.25Å; W72-Y313 AromaticContact CH2-CD2 3.91Å; W72-Y313 HydrophobicContact CH2-CD2 3.91Å; W72-Y313 HydrophobicContact CH2-CE2 4.04Å; W72-Y313 HydrophobicContact CZ3-CD2 4.44Å; W72-L316 HydrophobicContact CE3-CD1 4.27Å; W72-L316 HydrophobicContact CZ3-CD1 3.68Å; W72-F472 HydrophobicContact CH2-CE1 4.22Å; W72-F473 WeakPolarHBondContact CZ2-O 3.49Å; W72-P503 HydrophobicContact CB-CG 4.4Å; W72-P503 HydrophobicContact CD2-CG 3.52Å; W72-P503 VanDerWaalsContact CE2-CD 3.48Å; W72-P503 HydrophobicContact CE3-CG 3.77Å; W72-P503 HydrophobicContact CG-CG 3.82Å; W72-P503 HydrophobicContact CH2-CG 4.46Å; W72-P503 HydrophobicContact CZ2-CG 4.24Å; W72-P503 HydrophobicContact CZ3-CG 4.24Å
73	G	98.2	Very high	97.2	Very high	3 Å²	3	47.6 Å²	47.6	3%	0.031	24%	0.242	C	C	.	.	H	α-helix	trans	-55.2	-62.9	179.7	0	0	0	0	0	111.7	A69 L75 A76 R77 Y86	A69-G73 WeakPolarHBondContact O-CA 3.37Å; A69-G73 PolarHBondContact O-N 3.05Å; G73-L75 VanDerWaalsContact C-N 3.3Å; G73-L75 PolarHBondContact O-N 2.84Å; G73-A76 PolarHBondContact O-N 3.46Å; G73-A76 VanDerWaalsContact O-N 3.15Å; G73-R77 PolarHBondContact O-N 3.24Å; G73-R77 VanDerWaalsContact O-N 3.15Å; G73-Y86 PolarHBondContact O-OH 3.05Å
74	P	97.6	Very high	97.3	Very high	29 Å²	29	48 Å²	48	19%	0.188	25%	0.248	C	C	.	.	H	α-helix	trans	-54.9	-43.1	178.2	-27.6	36.9	0	0	0	113.7	A70 A76 R77 D78	A70-P74 WeakPolarHBondContact O-CD 3.3Å; A70-P74 WeakPolarHBondContact O-CG 3.17Å; P74-A76 VanDerWaalsContact C-N 3.32Å; P74-A76 PolarHBondContact O-N 3.33Å; P74-R77 PolarHBondContact O-N 3.05Å; P74-D78 WeakPolarHBondContact O-CB 3.15Å; P74-D78 PolarHBondContact O-N 2.97Å
75	L	97.8	Very high	97.4	Very high	12 Å²	12	53 Å²	53	6%	0.063	28%	0.281	C	S	.	.	H	α-helix	trans	-59.7	-42	178.5	-68.3	173.6	0	0	0	112.2	A51 Q53 F71 W72 G73 D78 T79 L316	A51-L75 HydrophobicContact CB-CD2 4.47Å; Q53-L75 HydrophobicContact CG-CD2 4.39Å; F71-L75 HydrophobicContact CD1-CD1 3.91Å; F71-L75 HydrophobicContact CE1-CD1 3.46Å; F71-L75 VanDerWaalsContact CE1-CD1 3.46Å; F71-L75 HydrophobicContact CE2-CD1 4.41Å; F71-L75 HydrophobicContact CZ-CD1 3.75Å; F71-L75 WeakPolarHBondContact O-CG 3.42Å; W72-L75 HydrophobicContact CE3-CD1 4.08Å; W72-L75 HydrophobicContact CZ3-CD1 4.34Å; W72-L75 PolarHBondContact O-N 2.99Å; G73-L75 VanDerWaalsContact C-N 3.3Å; G73-L75 PolarHBondContact O-N 2.84Å; L75-D78 PolarHBondContact O-N 2.86Å; L75-T79 WeakPolarHBondContact O-CB 3.38Å; L75-T79 PolarHBondContact O-N 2.78Å; L75-T79 PolarHBondContact O-OG1 2.67Å; L75-L316 HydrophobicContact CB-CD1 4.23Å; L75-L316 HydrophobicContact CD1-CD1 4.15Å
76	A	98.5	Very high	97.5	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-65.3	-44.4	179.1	0	0	0	0	0	112.6	W72 G73 P74 D78 L80 W82 Y86 F102 L312	W72-A76 WeakPolarHBondContact O-CB 3.39Å; W72-A76 PolarHBondContact O-N 3.15Å; G73-A76 PolarHBondContact O-N 3.46Å; G73-A76 VanDerWaalsContact O-N 3.15Å; P74-A76 VanDerWaalsContact C-N 3.32Å; P74-A76 PolarHBondContact O-N 3.33Å; A76-D78 VanDerWaalsContact C-N 3.34Å; A76-L80 WeakPolarHBondContact O-CB 3.44Å; A76-L80 PolarHBondContact O-N 2.75Å; A76-L80 VanDerWaalsContact O-N 3.13Å; A76-W82 HydrophobicContact CB-CZ2 4.16Å; A76-W82 PolarHBondContact O-NE1 2.87Å; A76-Y86 HydrophobicContact CB-CE1 4.12Å; A76-F102 HydrophobicContact CB-CD1 3.74Å; A76-F102 HydrophobicContact CB-CE1 3.24Å; A76-F102 HydrophobicContact CB-CE2 4.21Å; A76-F102 HydrophobicContact CB-CG 4.42Å; A76-F102 HydrophobicContact CB-CZ 3.53Å; A76-L312 HydrophobicContact CB-CD2 3.61Å
77	R	98.1	Very high	97.6	Very high	140 Å²	140	50.9 Å²	50.9	53%	0.528	27%	0.27	S	S	.	.	H	α-helix	trans	-63.6	-39.6	177.3	-178.5	-174.2	60.5	-124.4	-7	112.3	G73 P74 Y86	G73-R77 PolarHBondContact O-N 3.24Å; G73-R77 VanDerWaalsContact O-N 3.15Å; P74-R77 PolarHBondContact O-N 3.05Å; R77-Y86 WeakPolarHBondContact CB-OH 3.11Å; R77-Y86 PolarHBondContact N-OH 2.95Å
78	D	95.9	Very high	97.7	Very high	83 Å²	83	48 Å²	48	44%	0.444	26%	0.261	S	S	.	.	H	α-helix	trans	-88.1	-24.3	-171.8	-57.3	-10.9	0	0	0	112.1	A51 P74 L75 A76	A51-D78 HydrophobicContact CB-CB 4.24Å; P74-D78 WeakPolarHBondContact O-CB 3.15Å; P74-D78 PolarHBondContact O-N 2.97Å; L75-D78 PolarHBondContact O-N 2.86Å; A76-D78 VanDerWaalsContact C-N 3.34Å
79	T	96.9	Very high	97.8	Very high	32 Å²	32	49 Å²	49	20%	0.196	27%	0.266	C	S	.	.	H	α-helix	trans	-92	-36.6	-178.7	-52.4	0	0	0	0	112.9	L75 L312 A315	L75-T79 WeakPolarHBondContact O-CB 3.38Å; L75-T79 PolarHBondContact O-N 2.78Å; L75-T79 PolarHBondContact O-OG1 2.67Å; T79-L312 HydrophobicContact CG2-CD1 4.06Å; T79-A315 HydrophobicContact CG2-CB 4.32Å
80	L	98.6	Very high	97.8	Very high	6 Å²	6	51.4 Å²	51.4	3%	0.031	27%	0.267	C	S	.	.	S	Bend	trans	-107.2	149.7	-175.4	-56.6	-175.1	0	0	0	111.9	A76 W82 L107 N112 A308 L311 L312	A76-L80 WeakPolarHBondContact O-CB 3.44Å; A76-L80 PolarHBondContact O-N 2.75Å; A76-L80 VanDerWaalsContact O-N 3.13Å; L80-W82 HydrophobicContact CD1-CZ2 4.24Å; L80-L107 HydrophobicContact CD1-CD1 4.01Å; L80-N112 WeakPolarHBondContact CA-OD1 3.5Å; L80-A308 HydrophobicContact CD1-CB 4.3Å; L80-L311 HydrophobicContact CD2-CD2 3.81Å; L80-L311 HydrophobicContact CD2-CG 3.95Å; L80-L312 HydrophobicContact CD1-CB 3.96Å; L80-L312 HydrophobicContact CG-CB 4.46Å; L80-L312 HydrophobicContact CG-CD1 4.36Å
81	L	98.4	Very high	97.9	Very high	70 Å²	70	51.8 Å²	51.8	37%	0.366	26%	0.262	S	S	.	.			trans	-87.1	126.2	166.7	-63.3	-176.7	0	0	0	110.1	L107 N112 Q116	L81-L107 WeakPolarHBondContact O-CB 3.37Å; L81-N112 PolarHBondContact N-OD1 2.99Å; L81-N112 PolarHBondContact O-ND2 2.95Å; L81-Q116 HydrophobicContact CD1-CB 3.4Å; L81-Q116 HydrophobicContact CD1-CG 4.19Å
82	W	98.7	Very high	97.9	Very high	46 Å²	46	53.1 Å²	53.1	17%	0.174	27%	0.272	C	S	.	.			trans	-111.6	135.2	-179.3	-62.4	85	0	0	0	109.8	A76 L80 Y86 F102 Q106 L107 A308	A76-W82 HydrophobicContact CB-CZ2 4.16Å; A76-W82 PolarHBondContact O-NE1 2.87Å; L80-W82 HydrophobicContact CD1-CZ2 4.24Å; W82-Y86 HydrophobicContact CD2-CD1 4.06Å; W82-Y86 HydrophobicContact CD2-CE1 4.28Å; W82-Y86 AromaticContact CE2-CD1 3.8Å; W82-Y86 AromaticContact CE2-CE1 3.67Å; W82-Y86 HydrophobicContact CE3-CD1 4.04Å; W82-Y86 AromaticContact CH2-CD1 3.54Å; W82-Y86 HydrophobicContact CH2-CD1 3.54Å; W82-Y86 HydrophobicContact CH2-CE1 4.03Å; W82-Y86 AromaticContact CZ2-CD1 3.55Å; W82-Y86 HydrophobicContact CZ2-CD1 3.55Å; W82-Y86 AromaticContact CZ2-CE1 3.54Å; W82-Y86 HydrophobicContact CZ2-CE1 3.54Å; W82-Y86 AromaticContact CZ3-CD1 3.81Å; W82-Y86 HydrophobicContact CZ3-CD1 3.81Å; W82-F102 HydrophobicContact CH2-CB 3.53Å; W82-F102 HydrophobicContact CH2-CD2 4.28Å; W82-F102 AromaticContact CH2-CG 3.94Å; W82-F102 HydrophobicContact CH2-CG 3.94Å; W82-F102 HydrophobicContact CZ2-CB 4.33Å; W82-F102 HydrophobicContact CZ2-CG 4.34Å; W82-F102 HydrophobicContact CZ3-CB 4.25Å; W82-Q106 CarbonylContact C-O 3.56Å; W82-Q106 WeakPolarHBondContact CA-O 3.48Å; W82-L107 HydrophobicContact CE3-CB 4.29Å; W82-L107 HydrophobicContact CE3-CD2 4.42Å; W82-L107 HydrophobicContact CZ3-CD2 4.01Å; W82-A308 HydrophobicContact CH2-CB 3.42Å; W82-A308 VanDerWaalsContact CH2-CB 3.42Å; W82-A308 HydrophobicContact CZ2-CB 4.14Å; W82-A308 HydrophobicContact CZ3-CB 4.07Å
83	D	98	Very high	97.8	Very high	90 Å²	90	56 Å²	56	48%	0.481	29%	0.287	S	S	.	.	S	Bend	trans	-76.4	-39.7	167.4	-60.6	-49.3	0	0	0	109.8	Q106 L107	D83-Q106 PolarHBondContact N-O 3.07Å; D83-L107 WeakPolarHBondContact OD2-CA 3.21Å
84	T	98.5	Very high	97.7	Very high	61 Å²	61	56.6 Å²	56.6	37%	0.374	29%	0.289	S	S	.	.	B	Isolated β-bridge	trans	-133.7	129.7	174.3	-59.7	0	0	0	0	109.6	G105 Q106	T84-G105 WeakPolarHBondContact O-CA 3.43Å; T84-Q106 PolarHBondContact N-O 3.3Å; T84-Q106 VanDerWaalsContact N-O 3.14Å; T84-Q106 PolarHBondContact O-N 2.88Å
85	P	97.6	Very high	97.5	Very high	105 Å²	105	59.2 Å²	59.2	68%	0.682	31%	0.308	S	S	*	.			trans	-61.3	145.2	175.5	-21.6	32.5	0	0	0	112.5
86	Y	98.5	Very high	97.3	Very high	37 Å²	37	62 Å²	62	15%	0.145	33%	0.325	C	S	.	.			trans	-75.9	152.7	170.5	51.7	-91.4	0	0	0	111.8	G73 A76 R77 W82 V89 F102 L103	G73-Y86 PolarHBondContact O-OH 3.05Å; A76-Y86 HydrophobicContact CB-CE1 4.12Å; R77-Y86 WeakPolarHBondContact CB-OH 3.11Å; R77-Y86 PolarHBondContact N-OH 2.95Å; W82-Y86 HydrophobicContact CD2-CD1 4.06Å; W82-Y86 HydrophobicContact CD2-CE1 4.28Å; W82-Y86 AromaticContact CE2-CD1 3.8Å; W82-Y86 AromaticContact CE2-CE1 3.67Å; W82-Y86 HydrophobicContact CE3-CD1 4.04Å; W82-Y86 AromaticContact CH2-CD1 3.54Å; W82-Y86 HydrophobicContact CH2-CD1 3.54Å; W82-Y86 HydrophobicContact CH2-CE1 4.03Å; W82-Y86 AromaticContact CZ2-CD1 3.55Å; W82-Y86 HydrophobicContact CZ2-CD1 3.55Å; W82-Y86 AromaticContact CZ2-CE1 3.54Å; W82-Y86 HydrophobicContact CZ2-CE1 3.54Å; W82-Y86 AromaticContact CZ3-CD1 3.81Å; W82-Y86 HydrophobicContact CZ3-CD1 3.81Å; Y86-V89 HydrophobicContact CD2-CG2 4.04Å; Y86-V89 HydrophobicContact CE2-CG2 3.62Å; Y86-F102 VanDerWaalsContact CB-C 3.47Å; Y86-F102 VanDerWaalsContact CB-O 3.28Å; Y86-F102 WeakPolarHBondContact CB-O 3.49Å; Y86-F102 HydrophobicContact CD1-CB 3.77Å; Y86-F102 HydrophobicContact CD1-CD1 4.12Å; Y86-F102 HydrophobicContact CD1-CG 4.28Å; Y86-F102 HydrophobicContact CD2-CB 4.4Å; Y86-F102 HydrophobicContact CD2-CD1 4.22Å; Y86-F102 HydrophobicContact CE1-CB 4.47Å; Y86-F102 HydrophobicContact CE1-CD1 4.03Å; Y86-F102 HydrophobicContact CE2-CD1 4.15Å; Y86-F102 HydrophobicContact CG-CB 3.73Å; Y86-F102 HydrophobicContact CG-CD1 4.22Å; Y86-F102 HydrophobicContact CG-CG 4.45Å; Y86-L103 WeakPolarHBondContact CA-O 3.49Å; Y86-L103 WeakPolarHBondContact CB-O 3.37Å
87	H	97.6	Very high	97.1	Very high	145 Å²	145	62 Å²	62	67%	0.671	33%	0.325	S	S	*	.	S	Bend	trans	-104.1	-23.5	174.8	58.7	66.1	0	0	0	112.8	L103	H87-L103 PolarHBondContact N-O 3.08Å
88	T	98.4	Very high	97	Very high	51 Å²	51	59.9 Å²	59.9	31%	0.313	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	118.8	-179.4	-57.4	0	0	0	0	110.1	D91 F102 L103	T88-D91 HydrophobicContact CG2-CB 4.38Å; T88-F102 CarbonylContact O-C 3.26Å; T88-F102 VanDerWaalsContact O-C 3.26Å; T88-F102 WeakPolarHBondContact O-CA 3.44Å; T88-F102 PolarHBondContact O-N 3.34Å; T88-L103 HydrophobicContact CG2-CD1 4.42Å; T88-L103 PolarHBondContact N-O 3.49Å; T88-L103 PolarHBondContact O-N 2.8Å
89	V	98.4	Very high	97.1	Very high	24 Å²	24	56.7 Å²	56.7	15%	0.145	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	-41.2	-178.8	177.9	0	0	0	0	112.1	A69 W72 Y86 W101 F102	A69-V89 HydrophobicContact CB-CB 3.99Å; A69-V89 HydrophobicContact CB-CG1 4.2Å; W72-V89 HydrophobicContact CB-CG1 4.25Å; Y86-V89 HydrophobicContact CD2-CG2 4.04Å; Y86-V89 HydrophobicContact CE2-CG2 3.62Å; V89-W101 HydrophobicContact CG1-CE3 4.25Å; V89-W101 HydrophobicContact CG1-CZ3 4.19Å; V89-W101 CarbonylContact O-C 3.59Å; V89-W101 VanDerWaalsContact O-CA 3.28Å; V89-W101 WeakPolarHBondContact O-CA 3.1Å; V89-F102 HydrophobicContact CG1-CD1 4.1Å; V89-F102 HydrophobicContact CG1-CE1 3.76Å; V89-F102 PolarHBondContact O-N 2.92Å
90	W	96.8	Very high	97.1	Very high	93 Å²	93	55.4 Å²	55.4	35%	0.352	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	122.7	-167.3	-177.1	31.4	0	0	0	110.8	P68 A69 C92 W101 Q500	P68-W90 HydrophobicContact CB-CD2 4.1Å; P68-W90 HydrophobicContact CB-CE3 3.71Å; P68-W90 HydrophobicContact CB-CH2 4.24Å; P68-W90 HydrophobicContact CB-CZ3 3.8Å; P68-W90 VanDerWaalsContact CD-CZ3 3.49Å; P68-W90 HydrophobicContact CG-CE3 3.85Å; P68-W90 HydrophobicContact CG-CH2 3.63Å; P68-W90 HydrophobicContact CG-CZ2 4.3Å; P68-W90 HydrophobicContact CG-CZ3 3.37Å; A69-W90 HydrophobicContact CB-CB 4.34Å; W90-C92 VanDerWaalsContact NE1-CB 3.32Å; W90-C92 PolarHBondContact NE1-SG 2.88Å; W90-W101 HydrophobicContact CB-CE3 4.37Å; W90-W101 HydrophobicContact CB-CH2 4.31Å; W90-W101 HydrophobicContact CB-CZ3 4.05Å; W90-W101 AromaticContact CD1-CE2 3.85Å; W90-W101 AromaticContact CD1-CH2 3.71Å; W90-W101 AromaticContact CD1-CZ2 3.54Å; W90-W101 HydrophobicContact CD2-CH2 4.44Å; W90-W101 AromaticContact CG-CH2 3.93Å; W90-W101 HydrophobicContact CG-CH2 3.93Å; W90-W101 HydrophobicContact CG-CZ2 4.22Å; W90-W101 HydrophobicContact CG-CZ3 4.17Å; W90-W101 AromaticContact NE1-CZ2 3.77Å; W90-Q500 HydrophobicContact CH2-CG 4.35Å; W90-Q500 HydrophobicContact CZ2-CG 4.08Å
91	D	97.3	Very high	97.1	Very high	56 Å²	56	55.1 Å²	55.1	30%	0.299	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	82.1	174.5	178.1	18.3	0	0	0	108.3	T88 K98 G100 L103	T88-D91 HydrophobicContact CG2-CB 4.38Å; D91-K98 IonicContact OD1-NZ 3.66Å; D91-K98 PolarHBondContact OD1-NZ 2.95Å; D91-K98 WeakPolarHBondContact OD2-CE 3.43Å; D91-K98 IonicContact OD2-NZ 3.36Å; D91-K98 PolarHBondContact OD2-NZ 3.38Å; D91-G100 PolarHBondContact N-O 3.41Å; D91-G100 WeakPolarHBondContact O-CA 3.36Å; D91-G100 PolarHBondContact O-N 2.86Å; D91-L103 HydrophobicContact CB-CD1 3.76Å
92	C	97.3	Very high	97.2	Very high	32 Å²	32	51.8 Å²	51.8	22%	0.216	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	144.2	-176.6	-60.8	0	0	0	0	112.2	W90 K98 I99 A501	W90-C92 VanDerWaalsContact NE1-CB 3.32Å; W90-C92 PolarHBondContact NE1-SG 2.88Å; C92-K98 CarbonylContact C-O 3.54Å; C92-K98 VanDerWaalsContact CA-O 3.25Å; C92-K98 WeakPolarHBondContact CA-O 3.48Å; C92-I99 HydrophobicContact CB-CD1 4.21Å; C92-A501 HydrophobicContact CB-CB 3.66Å; C92-A501 VanDerWaalsContact SG-CB 3.59Å
93	D	96.4	Very high	97.2	Very high	61 Å²	61	51.8 Å²	51.8	33%	0.326	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	109.9	175.4	170.2	20.6	0	0	0	109.8	S95 T96 G97 K98	D93-S95 VanDerWaalsContact C-N 3.29Å; D93-S95 PolarHBondContact O-N 2.99Å; D93-S95 WeakPolarHBondContact OD1-CB 3.45Å; D93-S95 PolarHBondContact OD1-N 2.92Å; D93-S95 PolarHBondContact OD1-OG 3.16Å; D93-S95 PolarHBondContact OD2-OG 3.12Å; D93-S95 VanDerWaalsContact OD2-OG 3.04Å; D93-T96 PolarHBondContact O-N 3.25Å; D93-T96 PolarHBondContact O-OG1 2.86Å; D93-T96 WeakPolarHBondContact OD2-CG2 3.37Å; D93-T96 PolarHBondContact OD2-OG1 2.92Å; D93-G97 PolarHBondContact O-N 3.49Å; D93-K98 HydrophobicContact CB-CB 4.43Å; D93-K98 PolarHBondContact N-O 3.48Å; D93-K98 PolarHBondContact O-N 3.35Å
94	F	96.3	Very high	97.2	Very high	15 Å²	15	49.3 Å²	49.3	7%	0.066	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-19.8	179.4	-76.5	-4.2	0	0	0	113.8	T96 I99 I498 A501 M505 F521 G526	F94-T96 PolarHBondContact O-N 3.23Å; F94-I99 HydrophobicContact CD1-CD1 3.69Å; F94-I99 HydrophobicContact CE1-CD1 3.59Å; F94-I498 WeakPolarHBondContact CE2-O 3.42Å; F94-A501 HydrophobicContact CE1-CB 3.63Å; F94-A501 HydrophobicContact CZ-CB 3.93Å; F94-M505 HydrophobicContact CE1-CE 3.75Å; F94-M505 HydrophobicContact CE1-SD 4.03Å; F94-M505 HydrophobicContact CZ-CE 4.3Å; F94-M505 HydrophobicContact CZ-SD 4.49Å; F94-F521 HydrophobicContact CB-CD1 3.81Å; F94-F521 HydrophobicContact CB-CE1 3.96Å; F94-F521 HydrophobicContact CD1-CD1 4.2Å; F94-F521 AromaticContact CD1-CE1 3.44Å; F94-F521 HydrophobicContact CD1-CE1 3.44Å; F94-F521 VanDerWaalsContact CD1-CE1 3.44Å; F94-F521 HydrophobicContact CD1-CZ 4.19Å; F94-F521 HydrophobicContact CD2-CD1 4.43Å; F94-F521 HydrophobicContact CD2-CE1 4.14Å; F94-F521 AromaticContact CE1-CE1 3.82Å; F94-F521 HydrophobicContact CE1-CE1 3.82Å; F94-F521 HydrophobicContact CE1-CZ 4.39Å; F94-F521 HydrophobicContact CE2-CE1 4.47Å; F94-F521 AromaticContact CG-CD1 3.92Å; F94-F521 HydrophobicContact CG-CD1 3.92Å; F94-F521 AromaticContact CG-CE1 3.6Å; F94-F521 HydrophobicContact CG-CE1 3.6Å; F94-F521 HydrophobicContact CZ-CE1 4.3Å; F94-G526 WeakPolarHBondContact CD2-O 3.28Å
95	S	92.8	Very high	97.2	Very high	84 Å²	84	46.4 Å²	46.4	59%	0.587	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-30.1	177.8	73.2	0	0	0	0	112.2	D93	D93-S95 VanDerWaalsContact C-N 3.29Å; D93-S95 PolarHBondContact O-N 2.99Å; D93-S95 WeakPolarHBondContact OD1-CB 3.45Å; D93-S95 PolarHBondContact OD1-N 2.92Å; D93-S95 PolarHBondContact OD1-OG 3.16Å; D93-S95 PolarHBondContact OD2-OG 3.12Å; D93-S95 VanDerWaalsContact OD2-OG 3.04Å
96	T	93.8	Very high	97.2	Very high	70 Å²	70	45.1 Å²	45.1	43%	0.429	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-5	178.3	56.3	0	0	0	0	113.2	D93 F94 K98 H513	D93-T96 PolarHBondContact O-N 3.25Å; D93-T96 PolarHBondContact O-OG1 2.86Å; D93-T96 WeakPolarHBondContact OD2-CG2 3.37Å; D93-T96 PolarHBondContact OD2-OG1 2.92Å; F94-T96 PolarHBondContact O-N 3.23Å; T96-K98 PolarHBondContact O-N 2.97Å; T96-K98 WeakPolarHBondContact OG1-CB 3.49Å; T96-H513 PolarHBondContact O-NE2 3.25Å
97	G	94.3	Very high	97.3	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.5	13.5	-172.3	0	0	0	0	0	113.7	D93 I99 H513	D93-G97 PolarHBondContact O-N 3.49Å; G97-I99 PolarHBondContact O-N 2.97Å; G97-H513 PolarHBondContact O-CE1 3.09Å
98	K	96.5	Very high	97.3	Very high	96 Å²	96	36.5 Å²	36.5	42%	0.417	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	116.5	178.9	-178.3	-166.5	175.9	-157.6	0	109.5	D91 C92 D93 T96	D91-K98 IonicContact OD1-NZ 3.66Å; D91-K98 PolarHBondContact OD1-NZ 2.95Å; D91-K98 WeakPolarHBondContact OD2-CE 3.43Å; D91-K98 IonicContact OD2-NZ 3.36Å; D91-K98 PolarHBondContact OD2-NZ 3.38Å; C92-K98 CarbonylContact C-O 3.54Å; C92-K98 VanDerWaalsContact CA-O 3.25Å; C92-K98 WeakPolarHBondContact CA-O 3.48Å; D93-K98 HydrophobicContact CB-CB 4.43Å; D93-K98 PolarHBondContact N-O 3.48Å; D93-K98 PolarHBondContact O-N 3.35Å; T96-K98 PolarHBondContact O-N 2.97Å; T96-K98 WeakPolarHBondContact OG1-CB 3.49Å
99	I	97.9	Very high	97.3	Very high	17 Å²	17	34.1 Å²	34.1	9%	0.087	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	123.4	179.6	-51	-60.3	0	0	0	109.6	C92 F94 G97 A501 M505 R507	C92-I99 HydrophobicContact CB-CD1 4.21Å; F94-I99 HydrophobicContact CD1-CD1 3.69Å; F94-I99 HydrophobicContact CE1-CD1 3.59Å; G97-I99 PolarHBondContact O-N 2.97Å; I99-A501 HydrophobicContact CD1-CB 4.38Å; I99-M505 HydrophobicContact CB-SD 4.38Å; I99-M505 HydrophobicContact CD1-CE 3.5Å; I99-M505 HydrophobicContact CD1-SD 3.63Å; I99-M505 HydrophobicContact CG1-CE 3.65Å; I99-M505 HydrophobicContact CG1-CG 4.47Å; I99-M505 HydrophobicContact CG1-SD 3.87Å; I99-M505 HydrophobicContact CG2-CE 4.45Å; I99-M505 HydrophobicContact CG2-CG 3.66Å; I99-M505 HydrophobicContact CG2-SD 3.59Å; I99-M505 VanDerWaalsContact CG2-SD 3.59Å; I99-R507 WeakPolarHBondContact O-CD 3.5Å
100	G	98	Very high	97.4	Very high	5 Å²	5	33 Å²	33	5%	0.052	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	133.1	177.1	0	0	0	0	0	112.4	D91	D91-G100 PolarHBondContact N-O 3.41Å; D91-G100 WeakPolarHBondContact O-CA 3.36Å; D91-G100 PolarHBondContact O-N 2.86Å
101	W	98.8	Very high	97.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	138.1	178.2	-71.4	87.1	0	0	0	111	P68 W72 V89 W90 L103 S284 E285 A501 W502 P503	P68-W101 HydrophobicContact CB-CH2 4.26Å; W72-W101 HydrophobicContact CB-CE3 4.42Å; W72-W101 HydrophobicContact CB-CZ3 3.8Å; W72-W101 AromaticContact CD1-CH2 3.45Å; W72-W101 VanDerWaalsContact CD1-CH2 3.45Å; W72-W101 AromaticContact CD1-CZ3 3.43Å; W72-W101 VanDerWaalsContact CD1-CZ3 3.43Å; W72-W101 HydrophobicContact CG-CH2 4.2Å; W72-W101 AromaticContact CG-CZ3 3.77Å; W72-W101 HydrophobicContact CG-CZ3 3.77Å; W72-W101 AromaticContact NE1-CH2 3.96Å; V89-W101 HydrophobicContact CG1-CE3 4.25Å; V89-W101 HydrophobicContact CG1-CZ3 4.19Å; V89-W101 CarbonylContact O-C 3.59Å; V89-W101 VanDerWaalsContact O-CA 3.28Å; V89-W101 WeakPolarHBondContact O-CA 3.1Å; W90-W101 HydrophobicContact CB-CE3 4.37Å; W90-W101 HydrophobicContact CB-CH2 4.31Å; W90-W101 HydrophobicContact CB-CZ3 4.05Å; W90-W101 AromaticContact CD1-CE2 3.85Å; W90-W101 AromaticContact CD1-CH2 3.71Å; W90-W101 AromaticContact CD1-CZ2 3.54Å; W90-W101 HydrophobicContact CD2-CH2 4.44Å; W90-W101 AromaticContact CG-CH2 3.93Å; W90-W101 HydrophobicContact CG-CH2 3.93Å; W90-W101 HydrophobicContact CG-CZ2 4.22Å; W90-W101 HydrophobicContact CG-CZ3 4.17Å; W90-W101 AromaticContact NE1-CZ2 3.77Å; W101-L103 PolarHBondContact O-N 3.41Å; W101-S284 WeakPolarHBondContact O-CB 3.48Å; W101-S284 PolarHBondContact O-OG 2.99Å; W101-E285 WeakPolarHBondContact CA-OE1 3.22Å; W101-E285 PolarHBondContact N-OE1 3.24Å; W101-A501 HydrophobicContact CZ2-CB 4.25Å; W101-W502 PolarHBondContact NE1-O 2.98Å; W101-P503 HydrophobicContact CD2-CB 4.18Å; W101-P503 HydrophobicContact CD2-CG 3.96Å; W101-P503 HydrophobicContact CE3-CB 4.44Å; W101-P503 HydrophobicContact CE3-CG 3.85Å; W101-P503 HydrophobicContact CG-CB 4.34Å; W101-P503 HydrophobicContact CH2-CG 4.28Å; W101-P503 HydrophobicContact CZ2-CG 4.36Å; W101-P503 HydrophobicContact CZ3-CG 4.02Å
102	F	98.8	Very high	97.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	55.1	45	176.1	-39.5	-67.3	0	0	0	113.6	W72 A76 W82 Y86 T88 V89 G105 S284 A308 L312 P503	W72-F102 HydrophobicContact CB-CE1 4.39Å; W72-F102 HydrophobicContact CB-CZ 4.27Å; A76-F102 HydrophobicContact CB-CD1 3.74Å; A76-F102 HydrophobicContact CB-CE1 3.24Å; A76-F102 HydrophobicContact CB-CE2 4.21Å; A76-F102 HydrophobicContact CB-CG 4.42Å; A76-F102 HydrophobicContact CB-CZ 3.53Å; W82-F102 HydrophobicContact CH2-CB 3.53Å; W82-F102 HydrophobicContact CH2-CD2 4.28Å; W82-F102 AromaticContact CH2-CG 3.94Å; W82-F102 HydrophobicContact CH2-CG 3.94Å; W82-F102 HydrophobicContact CZ2-CB 4.33Å; W82-F102 HydrophobicContact CZ2-CG 4.34Å; W82-F102 HydrophobicContact CZ3-CB 4.25Å; Y86-F102 VanDerWaalsContact CB-C 3.47Å; Y86-F102 VanDerWaalsContact CB-O 3.28Å; Y86-F102 WeakPolarHBondContact CB-O 3.49Å; Y86-F102 HydrophobicContact CD1-CB 3.77Å; Y86-F102 HydrophobicContact CD1-CD1 4.12Å; Y86-F102 HydrophobicContact CD1-CG 4.28Å; Y86-F102 HydrophobicContact CD2-CB 4.4Å; Y86-F102 HydrophobicContact CD2-CD1 4.22Å; Y86-F102 HydrophobicContact CE1-CB 4.47Å; Y86-F102 HydrophobicContact CE1-CD1 4.03Å; Y86-F102 HydrophobicContact CE2-CD1 4.15Å; Y86-F102 HydrophobicContact CG-CB 3.73Å; Y86-F102 HydrophobicContact CG-CD1 4.22Å; Y86-F102 HydrophobicContact CG-CG 4.45Å; T88-F102 CarbonylContact O-C 3.26Å; T88-F102 VanDerWaalsContact O-C 3.26Å; T88-F102 WeakPolarHBondContact O-CA 3.44Å; T88-F102 PolarHBondContact O-N 3.34Å; V89-F102 HydrophobicContact CG1-CD1 4.1Å; V89-F102 HydrophobicContact CG1-CE1 3.76Å; V89-F102 PolarHBondContact O-N 2.92Å; F102-G105 PolarHBondContact O-N 2.93Å; F102-G105 VanDerWaalsContact O-N 3.11Å; F102-S284 WeakPolarHBondContact O-CB 3.49Å; F102-A308 HydrophobicContact CD2-CB 4.05Å; F102-L312 HydrophobicContact CE1-CD2 4.42Å; F102-L312 HydrophobicContact CE2-CD2 3.79Å; F102-L312 HydrophobicContact CZ-CD2 3.44Å; F102-L312 VanDerWaalsContact CZ-CD2 3.44Å; F102-P503 HydrophobicContact CE2-CB 4.19Å; F102-P503 HydrophobicContact CZ-CB 4.49Å; F102-P503 HydrophobicContact CZ-CG 4.35Å
103	L	98.7	Very high	97.6	Very high	45 Å²	45	25 Å²	25	24%	0.236	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	143.2	-179.7	-50.1	-179.1	0	0	0	111.7	Y86 H87 T88 D91 W101 G105 E285	Y86-L103 WeakPolarHBondContact CA-O 3.49Å; Y86-L103 WeakPolarHBondContact CB-O 3.37Å; H87-L103 PolarHBondContact N-O 3.08Å; T88-L103 HydrophobicContact CG2-CD1 4.42Å; T88-L103 PolarHBondContact N-O 3.49Å; T88-L103 PolarHBondContact O-N 2.8Å; D91-L103 HydrophobicContact CB-CD1 3.76Å; W101-L103 PolarHBondContact O-N 3.41Å; L103-G105 PolarHBondContact O-N 3.28Å; L103-E285 HydrophobicContact CD2-CG 3.67Å
104	G	98.3	Very high	97.7	Very high	38 Å²	38	22 Å²	22	39%	0.392	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.7	-16.1	-172.2	0	0	0	0	0	114.1
105	G	98.7	Very high	97.9	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.131	C	C	.	.			trans	-72.2	139.3	177.8	0	0	0	0	0	111.2	T84 F102 L103 G283 S284	T84-G105 WeakPolarHBondContact O-CA 3.43Å; F102-G105 PolarHBondContact O-N 2.93Å; F102-G105 VanDerWaalsContact O-N 3.11Å; L103-G105 PolarHBondContact O-N 3.28Å; G105-G283 WeakPolarHBondContact O-CA 3.16Å; G105-S284 PolarHBondContact O-N 3.17Å
106	Q	98.9	Very high	98.1	Very high	78 Å²	78	19.1 Å²	19.1	36%	0.364	11%	0.107	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	140.8	173	-56.7	-174.7	0.7	0	0	111	W82 D83 T84 S281 M282	W82-Q106 CarbonylContact C-O 3.56Å; W82-Q106 WeakPolarHBondContact CA-O 3.48Å; D83-Q106 PolarHBondContact N-O 3.07Å; T84-Q106 PolarHBondContact N-O 3.3Å; T84-Q106 VanDerWaalsContact N-O 3.14Å; T84-Q106 PolarHBondContact O-N 2.88Å; Q106-S281 VanDerWaalsContact CB-OG 3.32Å; Q106-S281 WeakPolarHBondContact CB-OG 3.36Å; Q106-S281 PolarHBondContact OE1-OG 2.79Å; Q106-M282 CarbonylContact C-O 3.56Å; Q106-M282 WeakPolarHBondContact CA-O 3.34Å
107	L	98.9	Very high	98.3	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	175.5	-179	73.9	167.5	0	0	0	110.2	L80 L81 W82 D83 M282 Q307 A308	L80-L107 HydrophobicContact CD1-CD1 4.01Å; L81-L107 WeakPolarHBondContact O-CB 3.37Å; W82-L107 HydrophobicContact CE3-CB 4.29Å; W82-L107 HydrophobicContact CE3-CD2 4.42Å; W82-L107 HydrophobicContact CZ3-CD2 4.01Å; D83-L107 WeakPolarHBondContact OD2-CA 3.21Å; L107-M282 PolarHBondContact N-O 2.89Å; L107-M282 WeakPolarHBondContact O-CA 3.45Å; L107-M282 WeakPolarHBondContact O-CB 3.4Å; L107-M282 PolarHBondContact O-N 2.83Å; L107-M282 VanDerWaalsContact O-O 3.08Å; L107-Q307 HydrophobicContact CD2-CB 3.95Å; L107-A308 HydrophobicContact CD1-CB 3.88Å; L107-A308 HydrophobicContact CD2-CB 3.74Å
108	N	98.9	Very high	98.5	Very high	2 Å²	2	18.2 Å²	18.2	1%	0.011	10%	0.1	C	C	.	.			trans	-129	128.4	163.9	-171.4	-78.4	0	0	0	111.1	S110 V111 N112 A185 R186 P279 E280	N108-S110 PolarHBondContact O-N 3.4Å; N108-S110 WeakPolarHBondContact OD1-CA 3.38Å; N108-S110 VanDerWaalsContact OD1-CB 3.25Å; N108-S110 WeakPolarHBondContact OD1-CB 3.31Å; N108-S110 PolarHBondContact OD1-N 3.38Å; N108-V111 HydrophobicContact CB-CB 4.08Å; N108-V111 HydrophobicContact CB-CG2 3.79Å; N108-V111 PolarHBondContact O-N 3.21Å; N108-V111 PolarHBondContact OD1-N 2.89Å; N108-N112 PolarHBondContact O-N 3.43Å; N108-N112 PolarHBondContact O-ND2 3.08Å; N108-A185 PolarHBondContact ND2-O 3.13Å; N108-A185 VanDerWaalsContact ND2-O 3.16Å; N108-R186 PolarHBondContact ND2-O 2.98Å; N108-P279 HydrophobicContact CB-CB 4.12Å; N108-E280 PolarHBondContact ND2-O 3.45Å
109	V	98.9	Very high	98.5	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-65.5	-37.8	-179.2	167.1	0	0	0	0	112	V111 N112 C113 A185 L288 Q307 L311 Y347	V109-V111 VanDerWaalsContact C-N 3.33Å; V109-V111 PolarHBondContact O-N 3.22Å; V109-N112 PolarHBondContact O-N 2.65Å; V109-C113 WeakPolarHBondContact O-CB 3.5Å; V109-C113 PolarHBondContact O-N 2.99Å; V109-C113 PolarHBondContact O-SG 2.92Å; V109-A185 HydrophobicContact CB-CB 4.3Å; V109-A185 HydrophobicContact CG1-CB 4.42Å; V109-L288 HydrophobicContact CB-CD1 4.08Å; V109-L288 HydrophobicContact CG1-CD1 4.21Å; V109-L288 HydrophobicContact CG1-CD2 4.34Å; V109-L288 HydrophobicContact CG2-CD1 4.03Å; V109-L288 HydrophobicContact CG2-CD2 4.14Å; V109-Q307 HydrophobicContact CG2-CB 4.2Å; V109-L311 HydrophobicContact CB-CD2 4.36Å; V109-L311 HydrophobicContact CG1-CD1 4.26Å; V109-L311 HydrophobicContact CG1-CD2 4.25Å; V109-L311 HydrophobicContact CG2-CB 4.35Å; V109-L311 HydrophobicContact CG2-CD2 4Å; V109-Y347 HydrophobicContact CG1-CD1 3.69Å; V109-Y347 HydrophobicContact CG1-CE1 3.45Å; V109-Y347 VanDerWaalsContact CG1-CE1 3.45Å
110	S	98.8	Very high	98.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-63.8	-38.2	175.8	169.7	0	0	0	0	111.7	N108 N112 C113 L114 R186	N108-S110 PolarHBondContact O-N 3.4Å; N108-S110 WeakPolarHBondContact OD1-CA 3.38Å; N108-S110 VanDerWaalsContact OD1-CB 3.25Å; N108-S110 WeakPolarHBondContact OD1-CB 3.31Å; N108-S110 PolarHBondContact OD1-N 3.38Å; S110-N112 VanDerWaalsContact C-N 3.34Å; S110-C113 PolarHBondContact O-N 2.89Å; S110-L114 WeakPolarHBondContact O-CB 3.43Å; S110-L114 PolarHBondContact O-N 3.2Å; S110-R186 PolarHBondContact OG-NH1 2.89Å; S110-R186 VanDerWaalsContact OG-NH1 3.12Å
111	V	98.9	Very high	98.3	Very high	13 Å²	13	30.3 Å²	30.3	8%	0.079	15%	0.154	C	C	.	.	I	π-helix	trans	-63.4	-42.1	176.4	171.3	0	0	0	0	111.4	N108 V109 C113 D115 Q116 P279	N108-V111 HydrophobicContact CB-CB 4.08Å; N108-V111 HydrophobicContact CB-CG2 3.79Å; N108-V111 PolarHBondContact O-N 3.21Å; N108-V111 PolarHBondContact OD1-N 2.89Å; V109-V111 VanDerWaalsContact C-N 3.33Å; V109-V111 PolarHBondContact O-N 3.22Å; V111-C113 VanDerWaalsContact C-N 3.32Å; V111-D115 WeakPolarHBondContact CA-OD2 3.09Å; V111-D115 HydrophobicContact CB-CB 4.43Å; V111-D115 HydrophobicContact CG1-CB 4.14Å; V111-D115 HydrophobicContact CG2-CB 4.49Å; V111-D115 PolarHBondContact O-N 3.47Å; V111-Q116 PolarHBondContact O-N 2.88Å; V111-P279 HydrophobicContact CG2-CB 3.59Å; V111-P279 HydrophobicContact CG2-CG 3.56Å
112	N	98.8	Very high	98.2	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.163	C	C	.	.	I	π-helix	trans	-67.4	-31.8	176.1	-82.2	-86.1	0	0	0	112.6	L80 L81 N108 V109 S110 Q116 H117 L311	L80-N112 WeakPolarHBondContact CA-OD1 3.5Å; L81-N112 PolarHBondContact N-OD1 2.99Å; L81-N112 PolarHBondContact O-ND2 2.95Å; N108-N112 PolarHBondContact O-N 3.43Å; N108-N112 PolarHBondContact O-ND2 3.08Å; V109-N112 PolarHBondContact O-N 2.65Å; S110-N112 VanDerWaalsContact C-N 3.34Å; N112-Q116 WeakPolarHBondContact O-CG 3.36Å; N112-Q116 PolarHBondContact O-NE2 3.34Å; N112-H117 PolarHBondContact O-NE2 2.8Å; N112-L311 HydrophobicContact CB-CD2 3.56Å
113	C	98.9	Very high	98.2	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.188	C	C	.	.	I	π-helix	trans	-87.9	-21.5	179.5	-63.7	0	0	0	0	113.8	V109 S110 V111 H117 Y142 L182 L350	V109-C113 WeakPolarHBondContact O-CB 3.5Å; V109-C113 PolarHBondContact O-N 2.99Å; V109-C113 PolarHBondContact O-SG 2.92Å; S110-C113 PolarHBondContact O-N 2.89Å; V111-C113 VanDerWaalsContact C-N 3.32Å; C113-H117 PolarHBondContact O-CD2 3.41Å; C113-Y142 WeakPolarHBondContact O-CE1 3.36Å; C113-L182 HydrophobicContact CB-CD2 3.93Å; C113-L350 HydrophobicContact CB-CB 3.94Å
114	L	98.9	Very high	98.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.195	C	C	.	.	I	π-helix	trans	-131.1	-70.1	-170.3	-58.6	177.4	0	0	0	113	S110 Q116 H117 V118 Y142 L145 L146 T149 L182	S110-L114 WeakPolarHBondContact O-CB 3.43Å; S110-L114 PolarHBondContact O-N 3.2Å; L114-Q116 VanDerWaalsContact C-N 3.25Å; L114-Q116 PolarHBondContact O-N 2.84Å; L114-Q116 VanDerWaalsContact O-N 3.13Å; L114-H117 PolarHBondContact O-N 3.11Å; L114-V118 PolarHBondContact O-N 2.93Å; L114-Y142 HydrophobicContact CD2-CD1 4.21Å; L114-Y142 HydrophobicContact CD2-CE1 4.49Å; L114-L145 HydrophobicContact CD2-CB 4.24Å; L114-L145 HydrophobicContact CD2-CD2 3.49Å; L114-L145 VanDerWaalsContact CD2-CD2 3.49Å; L114-L145 HydrophobicContact CD2-CG 3.65Å; L114-L146 HydrophobicContact CB-CB 4.36Å; L114-L146 HydrophobicContact CB-CD1 3.99Å; L114-L146 HydrophobicContact CD1-CB 4.47Å; L114-L146 HydrophobicContact CD1-CD1 4.08Å; L114-T149 HydrophobicContact CD1-CG2 3.96Å; L114-L182 HydrophobicContact CD1-CB 4.34Å; L114-L182 HydrophobicContact CD1-CD1 3.84Å; L114-L182 HydrophobicContact CD2-CD1 3.97Å; L114-L182 HydrophobicContact CG-CD1 4.02Å
115	D	98.7	Very high	98.2	Very high	19 Å²	19	37.7 Å²	37.7	10%	0.102	19%	0.188	C	C	.	.	I	π-helix	trans	-55.7	-39.5	-166.9	-59.7	-125	0	0	0	112.3	V111 H117 V118 R119 L146 R186	V111-D115 WeakPolarHBondContact CA-OD2 3.09Å; V111-D115 HydrophobicContact CB-CB 4.43Å; V111-D115 HydrophobicContact CG1-CB 4.14Å; V111-D115 HydrophobicContact CG2-CB 4.49Å; V111-D115 PolarHBondContact O-N 3.47Å; D115-H117 VanDerWaalsContact C-N 3.29Å; D115-H117 PolarHBondContact O-N 3.14Å; D115-V118 PolarHBondContact O-N 3.49Å; D115-R119 VanDerWaalsContact O-CG 3.31Å; D115-R119 WeakPolarHBondContact O-CG 3.36Å; D115-R119 PolarHBondContact O-N 3.19Å; D115-L146 WeakPolarHBondContact OD2-CD1 3.41Å; D115-R186 IonicContact OD1-CZ 3.06Å; D115-R186 IonicContact OD1-NH1 3.34Å; D115-R186 PolarHBondContact OD1-NH1 3.33Å; D115-R186 IonicContact OD1-NH2 2.86Å; D115-R186 PolarHBondContact OD1-NH2 3.3Å; D115-R186 IonicContact OD2-CZ 2.62Å; D115-R186 IonicContact OD2-NH1 3.79Å; D115-R186 PolarHBondContact OD2-NH1 3.27Å; D115-R186 IonicContact OD2-NH2 2.7Å
116	Q	97.6	Very high	98.2	Very high	18 Å²	18	37.7 Å²	37.7	8%	0.084	19%	0.188	C	C	.	.	H	α-helix	trans	-64.7	-32.7	178.8	71.9	163.7	-52.6	0	0	114	L81 V111 N112 L114 K120	L81-Q116 HydrophobicContact CD1-CB 3.4Å; L81-Q116 HydrophobicContact CD1-CG 4.19Å; V111-Q116 PolarHBondContact O-N 2.88Å; N112-Q116 WeakPolarHBondContact O-CG 3.36Å; N112-Q116 PolarHBondContact O-NE2 3.34Å; L114-Q116 VanDerWaalsContact C-N 3.25Å; L114-Q116 PolarHBondContact O-N 2.84Å; L114-Q116 VanDerWaalsContact O-N 3.13Å; Q116-K120 WeakPolarHBondContact O-CG 3.5Å
117	H	98.2	Very high	98.2	Very high	22 Å²	22	34 Å²	34	10%	0.102	17%	0.171	C	C	.	.	H	α-helix	trans	-83.2	-37.2	-180	-59.1	-50.4	0	0	0	110.3	N112 C113 L114 D115 R119 K120 S121 Y142 L350 C351 G353	N112-H117 PolarHBondContact O-NE2 2.8Å; C113-H117 PolarHBondContact O-CD2 3.41Å; L114-H117 PolarHBondContact O-N 3.11Å; D115-H117 VanDerWaalsContact C-N 3.29Å; D115-H117 PolarHBondContact O-N 3.14Å; H117-R119 VanDerWaalsContact C-N 3.27Å; H117-R119 PolarHBondContact O-N 2.92Å; H117-K120 PolarHBondContact O-N 3.3Å; H117-S121 CarbonylContact O-C 3.46Å; H117-S121 PolarHBondContact O-N 3.29Å; H117-Y142 HydrophobicContact CB-CD1 3.78Å; H117-Y142 HydrophobicContact CB-CD2 4.38Å; H117-Y142 HydrophobicContact CB-CE1 3.89Å; H117-Y142 HydrophobicContact CB-CE2 4.48Å; H117-Y142 HydrophobicContact CB-CG 4.04Å; H117-Y142 AromaticContact CD2-CE1 3.74Å; H117-L350 PolarHBondContact CD2-O 3.12Å; H117-L350 PolarHBondContact NE2-O 2.83Å; H117-C351 PolarHBondContact CE1-O 3.39Å; H117-C351 PolarHBondContact NE2-O 3.42Å; H117-C351 VanDerWaalsContact NE2-O 3.08Å; H117-G353 VanDerWaalsContact CE1-CA 3.5Å; H117-G353 WeakPolarHBondContact CE1-CA 3.38Å; H117-G353 PolarHBondContact CE1-N 2.86Å; H117-G353 PolarHBondContact NE2-N 2.81Å
118	V	98.4	Very high	98.2	Very high	30 Å²	30	34.2 Å²	34.2	18%	0.182	17%	0.172	C	C	.	.	H	α-helix	trans	-59.4	-37.9	172	175	0	0	0	0	111.7	L114 D115 K120 P122 Y142 L146	L114-V118 PolarHBondContact O-N 2.93Å; D115-V118 PolarHBondContact O-N 3.49Å; V118-K120 VanDerWaalsContact C-N 3.26Å; V118-K120 PolarHBondContact O-N 3.27Å; V118-P122 HydrophobicContact CG1-CB 4.05Å; V118-P122 WeakPolarHBondContact O-CB 3.47Å; V118-P122 VanDerWaalsContact O-CD 3.28Å; V118-P122 WeakPolarHBondContact O-CD 3.33Å; V118-Y142 WeakPolarHBondContact CG2-O 3.47Å; V118-L146 HydrophobicContact CB-CD2 4.07Å; V118-L146 HydrophobicContact CG1-CD2 4.06Å; V118-L146 HydrophobicContact CG2-CB 4Å; V118-L146 HydrophobicContact CG2-CD2 3.79Å
119	R	97.7	Very high	98.2	Very high	178 Å²	178	35.1 Å²	35.1	67%	0.672	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-29.2	175.1	-73	172.5	-165.9	150.4	4.5	113.4	D115 H117	D115-R119 VanDerWaalsContact O-CG 3.31Å; D115-R119 WeakPolarHBondContact O-CG 3.36Å; D115-R119 PolarHBondContact O-N 3.19Å; H117-R119 VanDerWaalsContact C-N 3.27Å; H117-R119 PolarHBondContact O-N 2.92Å
120	K	95.7	Very high	98.2	Very high	134 Å²	134	35.1 Å²	35.1	58%	0.583	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93	-52.5	-176.6	-67.2	172.6	-176.5	170.1	0	111.7	Q116 H117 V118	Q116-K120 WeakPolarHBondContact O-CG 3.5Å; H117-K120 PolarHBondContact O-N 3.3Å; V118-K120 VanDerWaalsContact C-N 3.26Å; V118-K120 PolarHBondContact O-N 3.27Å
121	S	95.2	Very high	98.1	Very high	60 Å²	60	39.1 Å²	39.1	42%	0.42	19%	0.19	S	C	.	.			trans	-147.3	75.8	-171.8	-57	0	0	0	0	110.8	H117 E123 S124	H117-S121 CarbonylContact O-C 3.46Å; H117-S121 PolarHBondContact O-N 3.29Å; S121-E123 VanDerWaalsContact C-N 3.27Å; S121-E123 PolarHBondContact O-N 3.21Å; S121-S124 VanDerWaalsContact CB-OG 3.24Å; S121-S124 WeakPolarHBondContact CB-OG 3.02Å; S121-S124 WeakPolarHBondContact O-CB 3.48Å; S121-S124 PolarHBondContact O-N 2.67Å; S121-S124 VanDerWaalsContact O-N 3.17Å
122	P	97.2	Very high	98	Very high	32 Å²	32	38.6 Å²	38.6	21%	0.208	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-30.2	-173.2	24.4	-33.1	0	0	0	114.1	V118 S124 R143	V118-P122 HydrophobicContact CG1-CB 4.05Å; V118-P122 WeakPolarHBondContact O-CB 3.47Å; V118-P122 VanDerWaalsContact O-CD 3.28Å; V118-P122 WeakPolarHBondContact O-CD 3.33Å; P122-S124 VanDerWaalsContact C-N 3.34Å; P122-R143 HydrophobicContact CB-CB 4.16Å; P122-R143 WeakPolarHBondContact O-CB 3.08Å; P122-R143 PolarHBondContact O-N 3.05Å
123	E	98.3	Very high	97.8	Very high	112 Å²	112	42.9 Å²	42.9	52%	0.523	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-2.2	-178.7	-52.3	-51.7	122.3	0	0	113.3	S121 T141 R143	S121-E123 VanDerWaalsContact C-N 3.27Å; S121-E123 PolarHBondContact O-N 3.21Å; E123-T141 WeakPolarHBondContact O-CG2 3.33Å; E123-R143 IonicContact OE1-CZ 3.8Å; E123-R143 IonicContact OE1-NE 2.79Å; E123-R143 PolarHBondContact OE1-NE 3.02Å; E123-R143 IonicContact OE1-NH1 2.71Å; E123-R143 PolarHBondContact OE1-NH1 3.34Å; E123-R143 IonicContact OE1-NH2 3.2Å; E123-R143 PolarHBondContact OE1-NH2 3.12Å
124	S	98.1	Very high	97.5	Very high	54 Å²	54	45.1 Å²	45.1	38%	0.378	22%	0.221	S	C	.	.	S	Bend	trans	-64.3	138.8	173.1	-71.4	0	0	0	0	109.8	S121 P122 A126 T141 Y142	S121-S124 VanDerWaalsContact CB-OG 3.24Å; S121-S124 WeakPolarHBondContact CB-OG 3.02Å; S121-S124 WeakPolarHBondContact O-CB 3.48Å; S121-S124 PolarHBondContact O-N 2.67Å; S121-S124 VanDerWaalsContact O-N 3.17Å; P122-S124 VanDerWaalsContact C-N 3.34Å; S124-A126 PolarHBondContact O-N 3.03Å; S124-T141 CarbonylContact O-C 3.56Å; S124-T141 VanDerWaalsContact O-CA 3.27Å; S124-T141 WeakPolarHBondContact O-CA 3.41Å; S124-Y142 WeakPolarHBondContact O-CD2 3.02Å; S124-Y142 PolarHBondContact O-N 3.17Å
125	V	98.8	Very high	97.2	Very high	40 Å²	40	47.2 Å²	47.2	24%	0.242	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	118.8	178.3	-176.7	0	0	0	0	109.1	L127 I128 R139 T355	V125-L127 WeakPolarHBondContact CG1-O 3.34Å; V125-I128 HydrophobicContact CG1-CG1 3.89Å; V125-R139 HydrophobicContact CG1-CB 4.08Å; V125-R139 HydrophobicContact CG1-CG 4.37Å; V125-R139 HydrophobicContact CG2-CB 4.4Å; V125-T355 HydrophobicContact CB-CG2 4.24Å; V125-T355 HydrophobicContact CG1-CG2 3.9Å; V125-T355 WeakPolarHBondContact O-CB 3.27Å; V125-T355 PolarHBondContact O-OG1 3.14Å
126	A	98.8	Very high	97.1	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	-44.7	173.9	0	0	0	0	0	110.8	S124 I140 Y142 L145 L350 T355 S356	S124-A126 PolarHBondContact O-N 3.03Å; A126-I140 PolarHBondContact N-O 3.12Å; A126-Y142 HydrophobicContact CB-CD1 3.86Å; A126-Y142 HydrophobicContact CB-CD2 3.71Å; A126-Y142 HydrophobicContact CB-CE1 3.89Å; A126-Y142 HydrophobicContact CB-CE2 3.76Å; A126-Y142 HydrophobicContact CB-CG 3.77Å; A126-L145 HydrophobicContact CB-CD2 3.94Å; A126-L350 HydrophobicContact CB-CD2 4.1Å; A126-T355 WeakPolarHBondContact O-CA 3.44Å; A126-S356 PolarHBondContact O-N 3.34Å
127	L	98.9	Very high	97.1	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	137.6	-174.4	-53.1	169.9	0	0	0	111	V125 I140 L145 P175 V178 L350 S356 L358	V125-L127 WeakPolarHBondContact CG1-O 3.34Å; L127-I140 HydrophobicContact CB-CB 4.19Å; L127-I140 PolarHBondContact N-O 3.04Å; L127-I140 PolarHBondContact O-N 3.48Å; L127-L145 HydrophobicContact CD1-CD1 3.82Å; L127-L145 HydrophobicContact CD1-CD2 3.73Å; L127-L145 HydrophobicContact CD1-CG 4.36Å; L127-L145 HydrophobicContact CG-CD2 4Å; L127-P175 HydrophobicContact CD1-CB 4.29Å; L127-V178 HydrophobicContact CD1-CB 4.15Å; L127-V178 HydrophobicContact CD1-CG1 4.08Å; L127-V178 HydrophobicContact CD1-CG2 4.41Å; L127-V178 HydrophobicContact CD2-CG1 4.44Å; L127-L350 HydrophobicContact CD2-CD2 4.18Å; L127-S356 CarbonylContact C-O 3.5Å; L127-S356 VanDerWaalsContact CA-O 3.32Å; L127-S356 WeakPolarHBondContact CA-O 3.26Å; L127-L358 HydrophobicContact CB-CD1 4.32Å; L127-L358 HydrophobicContact CB-CG 4.45Å; L127-L358 HydrophobicContact CD1-CD1 4.08Å; L127-L358 HydrophobicContact CD2-CD1 4.33Å; L127-L358 HydrophobicContact CD2-CD2 4.2Å; L127-L358 HydrophobicContact CD2-CG 4.28Å; L127-L358 HydrophobicContact CG-CD1 4.48Å
128	I	98.9	Very high	97.1	Very high	4 Å²	4	51.2 Å²	51.2	2%	0.021	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	107.2	163.4	-54	177.4	0	0	0	107.5	V125 E130 E137 R139 I329 T355 S356 V357 L358 L378	V125-I128 HydrophobicContact CG1-CG1 3.89Å; I128-E130 PolarHBondContact O-N 2.64Å; I128-E137 HydrophobicContact CG2-CB 4.17Å; I128-E137 HydrophobicContact CG2-CG 4.12Å; I128-R139 HydrophobicContact CG1-CG 4.3Å; I128-R139 HydrophobicContact CG2-CG 4.45Å; I128-I329 HydrophobicContact CD1-CD1 4.2Å; I128-I329 HydrophobicContact CD1-CG2 4.11Å; I128-T355 HydrophobicContact CD1-CG2 3.7Å; I128-T355 HydrophobicContact CG1-CG2 3.65Å; I128-S356 PolarHBondContact N-O 3.43Å; I128-V357 HydrophobicContact CB-CG2 4.46Å; I128-V357 CarbonylContact O-C 3.57Å; I128-V357 WeakPolarHBondContact O-CA 3.46Å; I128-L358 PolarHBondContact O-N 2.64Å; I128-L378 HydrophobicContact CG2-CD1 3.77Å; I128-L378 HydrophobicContact CG2-CD2 3.93Å; I128-L378 HydrophobicContact CG2-CG 4.49Å
129	W	98.7	Very high	97.1	Very high	22 Å²	22	55.2 Å²	55.2	8%	0.083	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	95.9	175.3	-175	29.9	0	0	0	110.7	R131 E137 V138 P175 L358 E360	W129-R131 HydrophobicContact CD2-CG 3.75Å; W129-R131 HydrophobicContact CE3-CG 4.01Å; W129-R131 HydrophobicContact CG-CG 4.26Å; W129-R131 HydrophobicContact CH2-CG 4.29Å; W129-R131 HydrophobicContact CZ2-CG 4.04Å; W129-R131 HydrophobicContact CZ3-CG 4.29Å; W129-R131 PolarHBondContact O-N 3.23Å; W129-R131 VanDerWaalsContact O-N 3.13Å; W129-E137 CarbonylContact O-C 3.56Å; W129-E137 WeakPolarHBondContact O-CA 3.41Å; W129-E137 WeakPolarHBondContact O-CB 3.28Å; W129-V138 HydrophobicContact CB-CB 4.37Å; W129-V138 HydrophobicContact CE3-CB 4.25Å; W129-V138 HydrophobicContact CE3-CG2 4.2Å; W129-V138 PolarHBondContact N-O 3.27Å; W129-V138 PolarHBondContact O-N 3.15Å; W129-P175 HydrophobicContact CB-CG 3.74Å; W129-P175 HydrophobicContact CD2-CG 3.98Å; W129-P175 HydrophobicContact CE3-CG 3.89Å; W129-P175 VanDerWaalsContact CG-CD 3.48Å; W129-P175 HydrophobicContact CG-CG 3.95Å; W129-L358 HydrophobicContact CB-CB 4.45Å; W129-E360 WeakPolarHBondContact CZ2-OE1 3.31Å
130	E	97.9	Very high	97.2	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	93.6	169.2	-176.5	61.4	-151.9	0	0	108.3	I128 V357 L358 F359 E360 R370 T374 R377	I128-E130 PolarHBondContact O-N 2.64Å; E130-V357 HydrophobicContact CB-CG1 4.28Å; E130-L358 PolarHBondContact N-O 2.86Å; E130-F359 HydrophobicContact CB-CD2 4.15Å; E130-F359 HydrophobicContact CG-CD2 3.78Å; E130-F359 HydrophobicContact CG-CE2 4.07Å; E130-E360 WeakPolarHBondContact O-CB 3.32Å; E130-E360 PolarHBondContact O-N 3.06Å; E130-R370 IonicContact OE1-CZ 3.07Å; E130-R370 IonicContact OE1-NH1 3.95Å; E130-R370 PolarHBondContact OE1-NH1 2.71Å; E130-R370 IonicContact OE1-NH2 3.84Å; E130-R370 PolarHBondContact OE1-NH2 2.96Å; E130-T374 HydrophobicContact CB-CG2 4.5Å; E130-T374 HydrophobicContact CG-CG2 3.97Å; E130-R377 IonicContact OE1-CZ 2.63Å; E130-R377 IonicContact OE1-NH1 3.29Å; E130-R377 IonicContact OE1-NH2 3.19Å; E130-R377 PolarHBondContact OE1-NH2 3.23Å; E130-R377 IonicContact OE2-CZ 2.99Å; E130-R377 VanDerWaalsContact OE2-CZ 3.27Å; E130-R377 IonicContact OE2-NH1 3.61Å; E130-R377 PolarHBondContact OE2-NH1 2.93Å; E130-R377 IonicContact OE2-NH2 3.25Å; E130-R377 PolarHBondContact OE2-NH2 3.42Å
131	R	97.2	Very high	97.4	Very high	84 Å²	84	42.7 Å²	42.7	32%	0.317	23%	0.233	S	C	.	.			trans	-63.5	166.5	178	-71.4	-176.7	177.3	171.6	-2.8	111.5	W129 E133 T136 V138 E360 R370	W129-R131 HydrophobicContact CD2-CG 3.75Å; W129-R131 HydrophobicContact CE3-CG 4.01Å; W129-R131 HydrophobicContact CG-CG 4.26Å; W129-R131 HydrophobicContact CH2-CG 4.29Å; W129-R131 HydrophobicContact CZ2-CG 4.04Å; W129-R131 HydrophobicContact CZ3-CG 4.29Å; W129-R131 PolarHBondContact O-N 3.23Å; W129-R131 VanDerWaalsContact O-N 3.13Å; R131-E133 VanDerWaalsContact C-N 3.29Å; R131-E133 PolarHBondContact O-N 3.36Å; R131-T136 WeakPolarHBondContact CB-OG1 3.44Å; R131-T136 WeakPolarHBondContact CD-O 3.28Å; R131-V138 VanDerWaalsContact CZ-CG2 3.47Å; R131-E360 WeakPolarHBondContact CA-OE2 3.45Å; R131-R370 PolarHBondContact O-NH2 3.26Å
132	D	96.3	Very high	97.5	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.011	21%	0.214	C	C	.	.	S	Bend	trans	-52.2	-46.9	-179.2	-161.6	34.3	0	0	0	113	L222 G224 G225 E360 S361 R370	D132-L222 HydrophobicContact CB-CB 4.22Å; D132-G224 VanDerWaalsContact CG-N 3.31Å; D132-G224 PolarHBondContact OD1-N 3.2Å; D132-G224 PolarHBondContact OD2-N 2.94Å; D132-G224 VanDerWaalsContact OD2-N 3.16Å; D132-G225 PolarHBondContact OD2-N 3.13Å; D132-E360 PolarHBondContact N-OE2 3.1Å; D132-S361 PolarHBondContact O-OG 3.35Å; D132-S361 WeakPolarHBondContact OD1-CA 3.45Å; D132-S361 VanDerWaalsContact OD1-CB 3.24Å; D132-S361 WeakPolarHBondContact OD1-CB 3.32Å; D132-S361 PolarHBondContact OD1-OG 3.11Å; D132-R370 PolarHBondContact O-NH2 2.88Å; D132-R370 VanDerWaalsContact O-NH2 3.13Å
133	E	96.1	Very high	97.6	Very high	89 Å²	89	43.4 Å²	43.4	42%	0.416	22%	0.223	S	C	.	.	S	Bend	trans	-77.2	125.5	177.3	-67.6	-56.5	142.7	0	0	112.4	R131 T136 Y365	R131-E133 VanDerWaalsContact C-N 3.29Å; R131-E133 PolarHBondContact O-N 3.36Å; E133-T136 HydrophobicContact CB-CG2 4.01Å; E133-T136 PolarHBondContact O-N 2.89Å; E133-T136 PolarHBondContact O-OG1 2.77Å; E133-Y365 WeakPolarHBondContact OE1-CE1 3.36Å; E133-Y365 PolarHBondContact OE1-OH 2.89Å
134	P	92.9	Very high	97.6	Very high	47 Å²	47	41.7 Å²	41.7	31%	0.305	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	140.1	179.9	-23.3	30.4	0	0	0	114.7	T136 P366 R370	P134-T136 PolarHBondContact O-N 3.15Å; P134-P366 VanDerWaalsContact CG-CD 3.41Å; P134-P366 HydrophobicContact CG-CG 3.89Å; P134-R370 VanDerWaalsContact CA-NH1 3.31Å
135	G	92.6	Very high	97.7	Very high	45 Å²	45	39.2 Å²	39.2	46%	0.464	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.8	14.8	176.7	0	0	0	0	0	114.6
136	T	96.4	Very high	97.7	Very high	61 Å²	61	38.4 Å²	38.4	37%	0.374	19%	0.191	S	C	.	.			trans	-107.5	27.5	176.5	68.8	0	0	0	0	112.4	R131 E133 P134	R131-T136 WeakPolarHBondContact CB-OG1 3.44Å; R131-T136 WeakPolarHBondContact CD-O 3.28Å; E133-T136 HydrophobicContact CB-CG2 4.01Å; E133-T136 PolarHBondContact O-N 2.89Å; E133-T136 PolarHBondContact O-OG1 2.77Å; P134-T136 PolarHBondContact O-N 3.15Å
137	E	97.4	Very high	97.7	Very high	42 Å²	42	42 Å²	42	20%	0.196	21%	0.208	C	C	.	.			trans	-65.2	148.6	-174	79.3	-82.3	-166.5	0	0	113	I128 W129 R139 R377 L378	I128-E137 HydrophobicContact CG2-CB 4.17Å; I128-E137 HydrophobicContact CG2-CG 4.12Å; W129-E137 CarbonylContact O-C 3.56Å; W129-E137 WeakPolarHBondContact O-CA 3.41Å; W129-E137 WeakPolarHBondContact O-CB 3.28Å; E137-R139 VanDerWaalsContact CG-NH1 3.27Å; E137-R139 IonicContact OE1-CZ 2.85Å; E137-R139 IonicContact OE1-NH1 2.85Å; E137-R139 PolarHBondContact OE1-NH1 2.96Å; E137-R139 IonicContact OE1-NH2 3.33Å; E137-R139 PolarHBondContact OE1-NH2 3.36Å; E137-R377 IonicContact OE1-NH1 3.53Å; E137-R377 IonicContact OE2-CZ 3.96Å; E137-R377 IonicContact OE2-NH1 2.8Å; E137-R377 PolarHBondContact OE2-NH1 2.83Å; E137-L378 HydrophobicContact CG-CD2 4.02Å
138	V	98.3	Very high	97.7	Very high	40 Å²	40	44.2 Å²	44.2	24%	0.242	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	126.6	173.7	-177.2	0	0	0	0	109.3	W129 R131 I140	W129-V138 HydrophobicContact CB-CB 4.37Å; W129-V138 HydrophobicContact CE3-CB 4.25Å; W129-V138 HydrophobicContact CE3-CG2 4.2Å; W129-V138 PolarHBondContact N-O 3.27Å; W129-V138 PolarHBondContact O-N 3.15Å; R131-V138 VanDerWaalsContact CZ-CG2 3.47Å; V138-I140 HydrophobicContact CG1-CD1 3.65Å; V138-I140 HydrophobicContact CG1-CG1 4.36Å
139	R	98.7	Very high	97.7	Very high	113 Å²	113	44 Å²	44	43%	0.426	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	130	173.8	-66.7	178.1	175.2	69.5	4.2	108.7	V125 I128 E137	V125-R139 HydrophobicContact CG1-CB 4.08Å; V125-R139 HydrophobicContact CG1-CG 4.37Å; V125-R139 HydrophobicContact CG2-CB 4.4Å; I128-R139 HydrophobicContact CG1-CG 4.3Å; I128-R139 HydrophobicContact CG2-CG 4.45Å; E137-R139 VanDerWaalsContact CG-NH1 3.27Å; E137-R139 IonicContact OE1-CZ 2.85Å; E137-R139 IonicContact OE1-NH1 2.85Å; E137-R139 PolarHBondContact OE1-NH1 2.96Å; E137-R139 IonicContact OE1-NH2 3.33Å; E137-R139 PolarHBondContact OE1-NH2 3.36Å
140	I	98.9	Very high	97.7	Very high	29 Å²	29	43.1 Å²	43.1	15%	0.149	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	121.2	178.3	-51.3	-66.7	0	0	0	107.5	A126 L127 V138 E144 L145 P175	A126-I140 PolarHBondContact N-O 3.12Å; L127-I140 HydrophobicContact CB-CB 4.19Å; L127-I140 PolarHBondContact N-O 3.04Å; L127-I140 PolarHBondContact O-N 3.48Å; V138-I140 HydrophobicContact CG1-CD1 3.65Å; V138-I140 HydrophobicContact CG1-CG1 4.36Å; I140-E144 HydrophobicContact CG2-CB 3.82Å; I140-L145 HydrophobicContact CG2-CB 4.01Å; I140-P175 HydrophobicContact CD1-CG 4.49Å; I140-P175 HydrophobicContact CG1-CB 4.01Å; I140-P175 HydrophobicContact CG1-CG 3.92Å
141	T	98.9	Very high	97.7	Very high	20 Å²	20	46.5 Å²	46.5	12%	0.123	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	161.5	175.3	61.6	0	0	0	0	111.6	E123 S124 R143 E144 L145	E123-T141 WeakPolarHBondContact O-CG2 3.33Å; S124-T141 CarbonylContact O-C 3.56Å; S124-T141 VanDerWaalsContact O-CA 3.27Å; S124-T141 WeakPolarHBondContact O-CA 3.41Å; T141-R143 PolarHBondContact O-N 3.11Å; T141-E144 WeakPolarHBondContact CB-OE2 3.46Å; T141-E144 WeakPolarHBondContact CG2-OE2 3.46Å; T141-E144 PolarHBondContact N-OE2 2.63Å; T141-E144 PolarHBondContact O-N 3.43Å; T141-E144 WeakPolarHBondContact OG1-CB 3.23Å; T141-E144 VanDerWaalsContact OG1-CD 3.3Å; T141-E144 VanDerWaalsContact OG1-CG 3.24Å; T141-E144 WeakPolarHBondContact OG1-CG 3.48Å; T141-E144 PolarHBondContact OG1-N 3.18Å; T141-E144 VanDerWaalsContact OG1-N 3.17Å; T141-E144 PolarHBondContact OG1-OE2 2.77Å; T141-L145 WeakPolarHBondContact O-CB 3.42Å; T141-L145 PolarHBondContact O-N 3.36Å
142	Y	98.9	Very high	97.8	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.008	22%	0.216	C	C	.	.	H	α-helix	trans	-57.1	-37.1	172	-88.7	-77.9	0	0	0	112.3	C113 L114 H117 V118 S124 A126 L146 L350 G353 A354	C113-Y142 WeakPolarHBondContact O-CE1 3.36Å; L114-Y142 HydrophobicContact CD2-CD1 4.21Å; L114-Y142 HydrophobicContact CD2-CE1 4.49Å; H117-Y142 HydrophobicContact CB-CD1 3.78Å; H117-Y142 HydrophobicContact CB-CD2 4.38Å; H117-Y142 HydrophobicContact CB-CE1 3.89Å; H117-Y142 HydrophobicContact CB-CE2 4.48Å; H117-Y142 HydrophobicContact CB-CG 4.04Å; H117-Y142 AromaticContact CD2-CE1 3.74Å; V118-Y142 WeakPolarHBondContact CG2-O 3.47Å; S124-Y142 WeakPolarHBondContact O-CD2 3.02Å; S124-Y142 PolarHBondContact O-N 3.17Å; A126-Y142 HydrophobicContact CB-CD1 3.86Å; A126-Y142 HydrophobicContact CB-CD2 3.71Å; A126-Y142 HydrophobicContact CB-CE1 3.89Å; A126-Y142 HydrophobicContact CB-CE2 3.76Å; A126-Y142 HydrophobicContact CB-CG 3.77Å; Y142-L146 WeakPolarHBondContact O-CB 3.38Å; Y142-L146 PolarHBondContact O-N 2.93Å; Y142-L350 HydrophobicContact CE1-CD2 4.12Å; Y142-G353 WeakPolarHBondContact OH-CA 3.31Å; Y142-A354 PolarHBondContact OH-N 3.33Å; Y142-A354 PolarHBondContact OH-O 3.06Å; Y142-A354 VanDerWaalsContact OH-O 3.05Å
143	R	98.9	Very high	98	Very high	105 Å²	105	42.4 Å²	42.4	40%	0.396	22%	0.215	S	C	.	.	H	α-helix	trans	-61.9	-54.2	174.5	-177.7	-175.9	-62	171.6	8.2	111.4	P122 E123 T141 L145 L146 E147	P122-R143 HydrophobicContact CB-CB 4.16Å; P122-R143 WeakPolarHBondContact O-CB 3.08Å; P122-R143 PolarHBondContact O-N 3.05Å; E123-R143 IonicContact OE1-CZ 3.8Å; E123-R143 IonicContact OE1-NE 2.79Å; E123-R143 PolarHBondContact OE1-NE 3.02Å; E123-R143 IonicContact OE1-NH1 2.71Å; E123-R143 PolarHBondContact OE1-NH1 3.34Å; E123-R143 IonicContact OE1-NH2 3.2Å; E123-R143 PolarHBondContact OE1-NH2 3.12Å; T141-R143 PolarHBondContact O-N 3.11Å; R143-L145 VanDerWaalsContact C-N 3.26Å; R143-L145 PolarHBondContact O-N 3.19Å; R143-L146 PolarHBondContact O-N 3Å; R143-L146 VanDerWaalsContact O-N 3.13Å; R143-E147 HydrophobicContact CG-CG 4.34Å; R143-E147 WeakPolarHBondContact CG-OE1 3.24Å; R143-E147 WeakPolarHBondContact O-CG 3.35Å; R143-E147 PolarHBondContact O-N 3.21Å
144	E	98.9	Very high	98.1	Very high	77 Å²	77	39.5 Å²	39.5	36%	0.36	20%	0.202	S	C	.	.	H	α-helix	trans	-60.1	-39	-178.4	-71.2	163.7	142	0	0	111.6	I140 T141 T148	I140-E144 HydrophobicContact CG2-CB 3.82Å; T141-E144 WeakPolarHBondContact CB-OE2 3.46Å; T141-E144 WeakPolarHBondContact CG2-OE2 3.46Å; T141-E144 PolarHBondContact N-OE2 2.63Å; T141-E144 PolarHBondContact O-N 3.43Å; T141-E144 WeakPolarHBondContact OG1-CB 3.23Å; T141-E144 VanDerWaalsContact OG1-CD 3.3Å; T141-E144 VanDerWaalsContact OG1-CG 3.24Å; T141-E144 WeakPolarHBondContact OG1-CG 3.48Å; T141-E144 PolarHBondContact OG1-N 3.18Å; T141-E144 VanDerWaalsContact OG1-N 3.17Å; T141-E144 PolarHBondContact OG1-OE2 2.77Å; E144-T148 WeakPolarHBondContact O-CB 3.09Å; E144-T148 PolarHBondContact O-N 2.8Å; E144-T148 PolarHBondContact O-OG1 3.29Å
145	L	98.9	Very high	98.4	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-66.1	-41.7	176.3	-175.9	56.7	0	0	0	111.9	L114 A126 L127 I140 T141 R143 T149 V178 A179 L182 L350	L114-L145 HydrophobicContact CD2-CB 4.24Å; L114-L145 HydrophobicContact CD2-CD2 3.49Å; L114-L145 VanDerWaalsContact CD2-CD2 3.49Å; L114-L145 HydrophobicContact CD2-CG 3.65Å; A126-L145 HydrophobicContact CB-CD2 3.94Å; L127-L145 HydrophobicContact CD1-CD1 3.82Å; L127-L145 HydrophobicContact CD1-CD2 3.73Å; L127-L145 HydrophobicContact CD1-CG 4.36Å; L127-L145 HydrophobicContact CG-CD2 4Å; I140-L145 HydrophobicContact CG2-CB 4.01Å; T141-L145 WeakPolarHBondContact O-CB 3.42Å; T141-L145 PolarHBondContact O-N 3.36Å; R143-L145 VanDerWaalsContact C-N 3.26Å; R143-L145 PolarHBondContact O-N 3.19Å; L145-T149 VanDerWaalsContact O-CB 3.24Å; L145-T149 WeakPolarHBondContact O-CB 3.35Å; L145-T149 PolarHBondContact O-N 3.47Å; L145-T149 PolarHBondContact O-OG1 3.13Å; L145-V178 HydrophobicContact CD1-CG1 4.45Å; L145-A179 HydrophobicContact CD1-CB 4.13Å; L145-L182 HydrophobicContact CD2-CD1 4.36Å; L145-L350 HydrophobicContact CD2-CD1 4.27Å; L145-L350 HydrophobicContact CD2-CD2 4.43Å
146	L	98.9	Very high	98.7	Very high	23 Å²	23	35.1 Å²	35.1	12%	0.12	17%	0.166	C	C	.	.	H	α-helix	trans	-63.7	-47.2	175.2	179	60.5	0	0	0	111.9	L114 D115 V118 Y142 R143 T148 T149 C150	L114-L146 HydrophobicContact CB-CB 4.36Å; L114-L146 HydrophobicContact CB-CD1 3.99Å; L114-L146 HydrophobicContact CD1-CB 4.47Å; L114-L146 HydrophobicContact CD1-CD1 4.08Å; D115-L146 WeakPolarHBondContact OD2-CD1 3.41Å; V118-L146 HydrophobicContact CB-CD2 4.07Å; V118-L146 HydrophobicContact CG1-CD2 4.06Å; V118-L146 HydrophobicContact CG2-CB 4Å; V118-L146 HydrophobicContact CG2-CD2 3.79Å; Y142-L146 WeakPolarHBondContact O-CB 3.38Å; Y142-L146 PolarHBondContact O-N 2.93Å; R143-L146 PolarHBondContact O-N 3Å; R143-L146 VanDerWaalsContact O-N 3.13Å; L146-T148 VanDerWaalsContact C-N 3.33Å; L146-T148 PolarHBondContact O-N 2.74Å; L146-T149 WeakPolarHBondContact O-CB 3.44Å; L146-T149 PolarHBondContact O-N 3.27Å; L146-C150 WeakPolarHBondContact O-CB 3.2Å; L146-C150 PolarHBondContact O-N 2.92Å; L146-C150 PolarHBondContact O-SG 2.9Å; L146-C150 VanDerWaalsContact O-SG 3.33Å
147	E	98.8	Very high	98.8	Very high	75 Å²	75	35.9 Å²	35.9	35%	0.35	16%	0.164	S	C	.	.	H	α-helix	trans	-61.5	-43.4	178.8	-67.5	-177.9	-174	0	0	111.4	R143 C150 R151 P275	R143-E147 HydrophobicContact CG-CG 4.34Å; R143-E147 WeakPolarHBondContact CG-OE1 3.24Å; R143-E147 WeakPolarHBondContact O-CG 3.35Å; R143-E147 PolarHBondContact O-N 3.21Å; E147-C150 PolarHBondContact O-N 2.82Å; E147-R151 WeakPolarHBondContact O-CG 3.32Å; E147-R151 PolarHBondContact O-N 2.81Å; E147-P275 HydrophobicContact CB-CB 3.99Å; E147-P275 HydrophobicContact CG-CB 3.93Å
148	T	98.9	Very high	98.8	Very high	48 Å²	48	39.8 Å²	39.8	29%	0.294	18%	0.177	S	C	.	.	H	α-helix	trans	-62.1	-45.4	175.6	-56	0	0	0	0	111.1	E144 L146 C150 R151 L152 L176 A179 M270	E144-T148 WeakPolarHBondContact O-CB 3.09Å; E144-T148 PolarHBondContact O-N 2.8Å; E144-T148 PolarHBondContact O-OG1 3.29Å; L146-T148 VanDerWaalsContact C-N 3.33Å; L146-T148 PolarHBondContact O-N 2.74Å; T148-C150 PolarHBondContact O-N 3.42Å; T148-R151 PolarHBondContact O-N 3.32Å; T148-L152 WeakPolarHBondContact O-CB 3.24Å; T148-L152 PolarHBondContact O-N 3.48Å; T148-L176 HydrophobicContact CG2-CD1 4.37Å; T148-A179 HydrophobicContact CG2-CB 3.81Å; T148-M270 HydrophobicContact CG2-CE 3.8Å; T148-M270 WeakPolarHBondContact O-CE 3.42Å
149	T	98.9	Very high	98.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-60.5	-44.3	177.2	-62.3	0	0	0	0	111.3	L114 L145 L146 L152 A153 L182 A183	L114-T149 HydrophobicContact CD1-CG2 3.96Å; L145-T149 VanDerWaalsContact O-CB 3.24Å; L145-T149 WeakPolarHBondContact O-CB 3.35Å; L145-T149 PolarHBondContact O-N 3.47Å; L145-T149 PolarHBondContact O-OG1 3.13Å; L146-T149 WeakPolarHBondContact O-CB 3.44Å; L146-T149 PolarHBondContact O-N 3.27Å; T149-L152 PolarHBondContact O-N 3.12Å; T149-A153 VanDerWaalsContact O-CB 3.23Å; T149-A153 WeakPolarHBondContact O-CB 3.47Å; T149-A153 PolarHBondContact O-N 3.16Å; T149-L182 HydrophobicContact CG2-CB 3.79Å; T149-A183 HydrophobicContact CG2-CB 4.19Å
150	C	98.9	Very high	98.6	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.014	17%	0.169	C	C	.	.	H	α-helix	trans	-64.9	-45.5	178.4	-75.3	0	0	0	0	112.5	L146 E147 T148 L152 A153 N154 P275 C277	L146-C150 WeakPolarHBondContact O-CB 3.2Å; L146-C150 PolarHBondContact O-N 2.92Å; L146-C150 PolarHBondContact O-SG 2.9Å; L146-C150 VanDerWaalsContact O-SG 3.33Å; E147-C150 PolarHBondContact O-N 2.82Å; T148-C150 PolarHBondContact O-N 3.42Å; C150-L152 VanDerWaalsContact C-N 3.32Å; C150-L152 PolarHBondContact O-N 2.7Å; C150-A153 PolarHBondContact O-N 3.3Å; C150-N154 WeakPolarHBondContact O-CB 3.42Å; C150-N154 PolarHBondContact O-N 3.37Å; C150-N154 PolarHBondContact O-ND2 3.28Å; C150-P275 VanDerWaalsContact CB-C 3.41Å; C150-P275 WeakPolarHBondContact CB-O 3.37Å; C150-C277 HydrophobicContact CB-CB 3.95Å; C150-C277 PolarHBondContact SG-N 3.32Å; C150-C277 VanDerWaalsContact SG-N 3.38Å
151	R	98.9	Very high	98.6	Very high	72 Å²	72	34.4 Å²	34.4	27%	0.272	16%	0.162	S	C	.	.	H	α-helix	trans	-61.8	-42.4	176.8	-70.2	176.6	-169.6	-89.4	2.5	111.4	E147 T148 N154 T155 M270 E273 D274	E147-R151 WeakPolarHBondContact O-CG 3.32Å; E147-R151 PolarHBondContact O-N 2.81Å; T148-R151 PolarHBondContact O-N 3.32Å; R151-N154 PolarHBondContact O-N 2.94Å; R151-T155 WeakPolarHBondContact O-CB 3.45Å; R151-T155 PolarHBondContact O-N 2.73Å; R151-T155 PolarHBondContact O-OG1 2.75Å; R151-M270 HydrophobicContact CB-CB 4.28Å; R151-M270 HydrophobicContact CB-CE 4.02Å; R151-E273 HydrophobicContact CB-CB 4.34Å; R151-E273 HydrophobicContact CG-CB 4.48Å; R151-E273 PolarHBondContact NH1-O 3.48Å; R151-D274 WeakPolarHBondContact CG-O 3.4Å
152	L	98.9	Very high	98.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-66.8	-41.4	177.5	-176.2	53	0	0	0	111.8	T148 T149 C150 N154 T155 L156 L176 A179 A180 A183 L266 M270	T148-L152 WeakPolarHBondContact O-CB 3.24Å; T148-L152 PolarHBondContact O-N 3.48Å; T149-L152 PolarHBondContact O-N 3.12Å; C150-L152 VanDerWaalsContact C-N 3.32Å; C150-L152 PolarHBondContact O-N 2.7Å; L152-N154 PolarHBondContact O-N 2.66Å; L152-T155 WeakPolarHBondContact O-CB 3.36Å; L152-T155 PolarHBondContact O-N 3.16Å; L152-L156 HydrophobicContact CD1-CG 4.48Å; L152-L156 HydrophobicContact CG-CD1 4.46Å; L152-L156 WeakPolarHBondContact O-CG 3.48Å; L152-L156 PolarHBondContact O-N 3.47Å; L152-L176 HydrophobicContact CD2-CD1 4.21Å; L152-A179 HydrophobicContact CD2-CB 4.45Å; L152-A180 HydrophobicContact CD2-CB 3.75Å; L152-A183 HydrophobicContact CB-CB 4.01Å; L152-A183 HydrophobicContact CD2-CB 4.17Å; L152-A183 HydrophobicContact CG-CB 3.87Å; L152-L266 HydrophobicContact CD1-CD1 3.77Å; L152-L266 HydrophobicContact CD1-CD2 4.12Å; L152-L266 HydrophobicContact CD1-CG 4.47Å; L152-M270 HydrophobicContact CB-CE 3.88Å; L152-M270 HydrophobicContact CB-SD 4.13Å; L152-M270 HydrophobicContact CD1-CG 4.49Å; L152-M270 HydrophobicContact CD1-SD 3.99Å
153	A	98.9	Very high	98.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-59.5	-45.8	174.5	0	0	0	0	0	112.1	T149 C150 T155 L156 K157 A183 I187 C277	T149-A153 VanDerWaalsContact O-CB 3.23Å; T149-A153 WeakPolarHBondContact O-CB 3.47Å; T149-A153 PolarHBondContact O-N 3.16Å; C150-A153 PolarHBondContact O-N 3.3Å; A153-T155 VanDerWaalsContact C-N 3.35Å; A153-L156 PolarHBondContact O-N 2.91Å; A153-K157 PolarHBondContact O-N 3.04Å; A153-A183 HydrophobicContact CB-CB 4.04Å; A153-I187 HydrophobicContact CB-CG2 3.64Å; A153-C277 HydrophobicContact CB-CB 4.08Å
154	N	98.9	Very high	98.3	Very high	28 Å²	28	40.4 Å²	40.4	15%	0.15	21%	0.209	C	C	.	.	H	α-helix	trans	-63.7	-39.9	175	-73.1	-25.7	0	0	0	111.8	C150 R151 L152 L156 K157 R158 E273 D274 V276 C277	C150-N154 WeakPolarHBondContact O-CB 3.42Å; C150-N154 PolarHBondContact O-N 3.37Å; C150-N154 PolarHBondContact O-ND2 3.28Å; R151-N154 PolarHBondContact O-N 2.94Å; L152-N154 PolarHBondContact O-N 2.66Å; N154-L156 PolarHBondContact O-N 2.76Å; N154-K157 PolarHBondContact O-N 3.06Å; N154-R158 WeakPolarHBondContact O-CB 3.01Å; N154-R158 PolarHBondContact O-N 3.12Å; N154-E273 HydrophobicContact CB-CB 3.81Å; N154-E273 HydrophobicContact CB-CG 3.87Å; N154-D274 PolarHBondContact ND2-O 3Å; N154-V276 PolarHBondContact ND2-O 2.81Å; N154-C277 WeakPolarHBondContact OD1-CB 3.47Å
155	T	98.8	Very high	98.3	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-60.9	-45.6	175.2	-57	0	0	0	0	110.9	R151 L152 A153 R158 H159 L248 L266 E269 M270 E273	R151-T155 WeakPolarHBondContact O-CB 3.45Å; R151-T155 PolarHBondContact O-N 2.73Å; R151-T155 PolarHBondContact O-OG1 2.75Å; L152-T155 WeakPolarHBondContact O-CB 3.36Å; L152-T155 PolarHBondContact O-N 3.16Å; A153-T155 VanDerWaalsContact C-N 3.35Å; T155-R158 PolarHBondContact O-N 3.02Å; T155-H159 PolarHBondContact O-CD2 3.04Å; T155-H159 PolarHBondContact O-N 2.89Å; T155-L248 HydrophobicContact CG2-CD1 4.45Å; T155-L266 HydrophobicContact CG2-CD1 4.05Å; T155-E269 HydrophobicContact CG2-CB 4.05Å; T155-M270 WeakPolarHBondContact OG1-CG 3.29Å; T155-E273 WeakPolarHBondContact OG1-CG 3.42Å
156	L	98.8	Very high	98.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-61	-45.5	176	-70.8	169.8	0	0	0	111.5	L152 A153 N154 R158 H159 G160 V161 V167 A183 I187 V214 I216 L248	L152-L156 HydrophobicContact CD1-CG 4.48Å; L152-L156 HydrophobicContact CG-CD1 4.46Å; L152-L156 WeakPolarHBondContact O-CG 3.48Å; L152-L156 PolarHBondContact O-N 3.47Å; A153-L156 PolarHBondContact O-N 2.91Å; N154-L156 PolarHBondContact O-N 2.76Å; L156-R158 PolarHBondContact O-N 2.84Å; L156-H159 CarbonylContact O-C 3.46Å; L156-H159 PolarHBondContact O-N 2.84Å; L156-H159 VanDerWaalsContact O-N 3.14Å; L156-G160 PolarHBondContact O-N 3.12Å; L156-V161 HydrophobicContact CB-CB 4.03Å; L156-V161 HydrophobicContact CB-CG2 4.07Å; L156-V161 HydrophobicContact CD2-CG2 4.05Å; L156-V161 WeakPolarHBondContact O-CB 3.41Å; L156-V161 WeakPolarHBondContact O-CG2 3.49Å; L156-V161 PolarHBondContact O-N 2.98Å; L156-V167 HydrophobicContact CD2-CG1 4.42Å; L156-A183 HydrophobicContact CD1-CB 4.18Å; L156-I187 HydrophobicContact CB-CD1 3.82Å; L156-I187 HydrophobicContact CD1-CD1 4.28Å; L156-V214 HydrophobicContact CD2-CG1 4.09Å; L156-I216 HydrophobicContact CD2-CD1 4.12Å; L156-L248 HydrophobicContact CD2-CD1 3.73Å
157	K	98.6	Very high	98.3	Very high	76 Å²	76	37.2 Å²	37.2	33%	0.33	19%	0.194	S	C	.	.	H	α-helix	trans	-58.7	-45.1	174.6	-76.6	-177.9	163.8	-176.7	0	111.6	A153 N154 H159 G160 I187 E280	A153-K157 PolarHBondContact O-N 3.04Å; N154-K157 PolarHBondContact O-N 3.06Å; K157-H159 PolarHBondContact O-N 2.81Å; K157-G160 PolarHBondContact O-N 3.39Å; K157-I187 HydrophobicContact CD-CG2 4.07Å; K157-I187 VanDerWaalsContact CE-CG2 3.48Å; K157-I187 HydrophobicContact CG-CD1 4.21Å; K157-I187 HydrophobicContact CG-CG2 4.23Å; K157-E280 IonicContact NZ-OE1 3.75Å; K157-E280 PolarHBondContact NZ-OE1 2.61Å
158	R	97.9	Very high	98.3	Very high	125 Å²	125	33.6 Å²	33.6	47%	0.472	18%	0.178	S	C	.	.	H	α-helix	trans	-59.7	-34.4	175.9	179.6	177.6	-71.4	169.6	11.5	112.3	N154 T155 L156 G160 E273	N154-R158 WeakPolarHBondContact O-CB 3.01Å; N154-R158 PolarHBondContact O-N 3.12Å; T155-R158 PolarHBondContact O-N 3.02Å; L156-R158 PolarHBondContact O-N 2.84Å; R158-G160 VanDerWaalsContact C-N 3.27Å; R158-G160 PolarHBondContact O-N 2.88Å; R158-E273 VanDerWaalsContact CD-OE1 3.3Å; R158-E273 WeakPolarHBondContact CD-OE1 3.04Å; R158-E273 IonicContact CZ-OE1 3.48Å; R158-E273 IonicContact CZ-OE2 3.55Å; R158-E273 IonicContact NE-OE1 2.63Å; R158-E273 PolarHBondContact NE-OE1 3.31Å; R158-E273 IonicContact NE-OE2 2.88Å; R158-E273 IonicContact NH1-OE1 2.85Å; R158-E273 PolarHBondContact NH1-OE1 2.82Å; R158-E273 IonicContact NH2-OE1 3.48Å; R158-E273 PolarHBondContact NH2-OE1 2.87Å; R158-E273 IonicContact NH2-OE2 3.44Å; R158-E273 PolarHBondContact NH2-OE2 2.98Å
159	H	96.9	Very high	98.3	Very high	30 Å²	30	31.3 Å²	31.3	14%	0.139	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	18	176	-71	-64.3	0	0	0	114.1	T155 L156 K157 R246	T155-H159 PolarHBondContact O-CD2 3.04Å; T155-H159 PolarHBondContact O-N 2.89Å; L156-H159 CarbonylContact O-C 3.46Å; L156-H159 PolarHBondContact O-N 2.84Å; L156-H159 VanDerWaalsContact O-N 3.14Å; K157-H159 PolarHBondContact O-N 2.81Å; H159-R246 HydrophobicContact CB-CG 4.26Å
160	G	96.1	Very high	98.2	Very high	35 Å²	35	31.3 Å²	31.3	36%	0.361	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.4	14.8	167.4	0	0	0	0	0	115.4	L156 K157 R158	L156-G160 PolarHBondContact O-N 3.12Å; K157-G160 PolarHBondContact O-N 3.39Å; R158-G160 VanDerWaalsContact C-N 3.27Å; R158-G160 PolarHBondContact O-N 2.88Å
161	V	98.6	Very high	98.1	Very high	3 Å²	3	31.3 Å²	31.3	2%	0.018	16%	0.163	C	C	.	.			trans	-77.9	121.9	172.5	-178.6	0	0	0	0	109.7	L156 D165 V167 I187 A189 V214	L156-V161 HydrophobicContact CB-CB 4.03Å; L156-V161 HydrophobicContact CB-CG2 4.07Å; L156-V161 HydrophobicContact CD2-CG2 4.05Å; L156-V161 WeakPolarHBondContact O-CB 3.41Å; L156-V161 WeakPolarHBondContact O-CG2 3.49Å; L156-V161 PolarHBondContact O-N 2.98Å; V161-D165 HydrophobicContact CG1-CB 4.13Å; V161-V167 HydrophobicContact CG1-CG2 3.88Å; V161-V167 HydrophobicContact CG2-CG2 4.23Å; V161-I187 HydrophobicContact CB-CD1 4.33Å; V161-I187 HydrophobicContact CG1-CD1 3.88Å; V161-A189 HydrophobicContact CG1-CB 3.67Å; V161-V214 HydrophobicContact CG2-CB 4.29Å; V161-V214 HydrophobicContact CG2-CG2 3.53Å
162	C	97	Very high	97.7	Very high	78 Å²	78	28.5 Å²	28.5	53%	0.527	16%	0.155	S	C	.	.			trans	-111.8	170.7	176.2	-66.2	0	0	0	0	111.3	G164 D165	C162-G164 PolarHBondContact O-N 3.48Å; C162-D165 PolarHBondContact N-OD2 3.08Å; C162-D165 VanDerWaalsContact O-CB 3.3Å; C162-D165 WeakPolarHBondContact O-CB 3.35Å; C162-D165 PolarHBondContact O-N 3.33Å; C162-D165 VanDerWaalsContact O-N 3.08Å
163	R	97.8	Very high	97.5	Very high	129 Å²	129	28.7 Å²	28.7	49%	0.487	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	133.7	170.2	176.7	175	172.1	-176.6	-2.7	110.6	D165 G188 M282 D286	R163-D165 VanDerWaalsContact C-N 3.27Å; R163-D165 PolarHBondContact O-N 2.93Å; R163-G188 CarbonylContact C-O 3.52Å; R163-G188 WeakPolarHBondContact CA-O 3.4Å; R163-M282 HydrophobicContact CG-CE 3.98Å; R163-M282 HydrophobicContact CG-SD 4.28Å; R163-D286 IonicContact CZ-OD2 3.47Å; R163-D286 IonicContact NE-OD2 2.78Å; R163-D286 IonicContact NH2-OD1 3.96Å; R163-D286 IonicContact NH2-OD2 3.36Å; R163-D286 PolarHBondContact NH2-OD2 2.95Å
164	G	96.8	Very high	97.5	Very high	47 Å²	47	28.8 Å²	28.8	49%	0.485	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.7	-11.5	-178.2	0	0	0	0	0	115	C162 G188	C162-G164 PolarHBondContact O-N 3.48Å; G164-G188 PolarHBondContact N-O 3.41Å
165	D	98.4	Very high	97.4	Very high	27 Å²	27	28.3 Å²	28.3	14%	0.144	16%	0.155	C	C	.	.			trans	-71.3	146.8	175.3	-73.2	-29.9	0	0	0	111.7	V161 C162 R163 A189 V190 K213	V161-D165 HydrophobicContact CG1-CB 4.13Å; C162-D165 PolarHBondContact N-OD2 3.08Å; C162-D165 VanDerWaalsContact O-CB 3.3Å; C162-D165 WeakPolarHBondContact O-CB 3.35Å; C162-D165 PolarHBondContact O-N 3.33Å; C162-D165 VanDerWaalsContact O-N 3.08Å; R163-D165 VanDerWaalsContact C-N 3.27Å; R163-D165 PolarHBondContact O-N 2.93Å; D165-A189 CarbonylContact O-C 3.55Å; D165-A189 WeakPolarHBondContact O-CA 3.41Å; D165-A189 WeakPolarHBondContact O-CB 3.42Å; D165-V190 PolarHBondContact O-N 3.08Å; D165-K213 HydrophobicContact CB-CD 4.15Å; D165-K213 WeakPolarHBondContact OD1-CE 3.38Å; D165-K213 IonicContact OD1-NZ 2.71Å; D165-K213 PolarHBondContact OD1-NZ 2.88Å; D165-K213 WeakPolarHBondContact OD2-CD 3.47Å; D165-K213 IonicContact OD2-NZ 2.72Å; D165-K213 PolarHBondContact OD2-NZ 2.83Å
166	C	98.4	Very high	97.4	Very high	6 Å²	6	29.5 Å²	29.5	4%	0.041	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	132.5	-178.7	-64	0	0	0	0	112	V190 A210 C212 K213 M290	C166-V190 CarbonylContact C-O 3.37Å; C166-V190 VanDerWaalsContact CA-O 3.24Å; C166-V190 WeakPolarHBondContact CA-O 3.11Å; C166-A210 HydrophobicContact CB-CB 4.41Å; C166-A210 WeakPolarHBondContact CB-O 3.49Å; C166-A210 PolarHBondContact SG-O 2.98Å; C166-A210 VanDerWaalsContact SG-O 3.35Å; C166-C212 HydrophobicContact CB-CB 4.46Å; C166-C212 VanDerWaalsContact O-CA 3.3Å; C166-C212 WeakPolarHBondContact O-CA 3.28Å; C166-K213 PolarHBondContact O-N 3.31Å; C166-M290 HydrophobicContact CB-CE 4.13Å; C166-M290 WeakPolarHBondContact SG-CE 3.3Å
167	V	98.9	Very high	97.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	118.1	179.2	-179.2	0	0	0	0	109.4	L156 V161 A189 V190 H191 T192 V214 I216	L156-V167 HydrophobicContact CD2-CG1 4.42Å; V161-V167 HydrophobicContact CG1-CG2 3.88Å; V161-V167 HydrophobicContact CG2-CG2 4.23Å; V167-A189 HydrophobicContact CG2-CB 4.31Å; V167-V190 PolarHBondContact N-O 3.31Å; V167-H191 CarbonylContact O-C 3.38Å; V167-H191 WeakPolarHBondContact O-CA 3.11Å; V167-T192 PolarHBondContact O-N 3.28Å; V167-V214 HydrophobicContact CG1-CB 4.31Å; V167-V214 HydrophobicContact CG1-CG1 4.39Å; V167-I216 HydrophobicContact CG1-CD1 3.78Å; V167-I216 HydrophobicContact CG1-CG1 3.94Å
168	A	98.8	Very high	97.5	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	130.3	175.2	0	0	0	0	0	110.3	T192 I194 I207 C212 V214 V215 I216	A168-T192 WeakPolarHBondContact CA-O 3.31Å; A168-T192 HydrophobicContact CB-CG2 4.21Å; A168-I194 HydrophobicContact CB-CD1 4.21Å; A168-I207 HydrophobicContact CB-CG1 3.97Å; A168-C212 HydrophobicContact CB-CB 4.08Å; A168-V214 PolarHBondContact N-O 3.32Å; A168-V215 HydrophobicContact CB-CG1 4.47Å; A168-V215 HydrophobicContact CB-CG2 4.21Å; A168-V215 CarbonylContact O-C 3.59Å; A168-V215 WeakPolarHBondContact O-CA 3.5Å; A168-I216 PolarHBondContact O-N 3.03Å
169	I	98.8	Very high	97.5	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	106.8	176.5	-60.1	174.3	0	0	0	107.9	M171 A180 M181 H191 T192 V193 I194	I169-M171 HydrophobicContact CG2-CB 4.38Å; I169-M171 HydrophobicContact CG2-CE 3.63Å; I169-A180 HydrophobicContact CD1-CB 3.75Å; I169-A180 HydrophobicContact CG1-CB 4.28Å; I169-M181 HydrophobicContact CD1-CG 3.87Å; I169-H191 HydrophobicContact CD1-CB 3.8Å; I169-T192 PolarHBondContact N-O 3.11Å; I169-V193 HydrophobicContact CB-CG2 4.25Å; I169-V193 HydrophobicContact CD1-CG2 4.3Å; I169-V193 HydrophobicContact CG2-CG1 4.45Å; I169-V193 WeakPolarHBondContact O-CA 3.29Å; I169-I194 PolarHBondContact O-N 3.5Å
170	Y	98.1	Very high	97.6	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	72.9	178.5	-171.6	-107.1	0	0	0	109.7	I194 F195 A196 F198 L203 I216 T217 L230 I233 V234	Y170-I194 HydrophobicContact CD2-CB 4.11Å; Y170-I194 HydrophobicContact CD2-CG2 3.93Å; Y170-I194 WeakPolarHBondContact CD2-O 3.49Å; Y170-I194 HydrophobicContact CE2-CG2 4.32Å; Y170-F195 VanDerWaalsContact CE2-O 3.29Å; Y170-F195 WeakPolarHBondContact CE2-O 3.42Å; Y170-A196 PolarHBondContact OH-O 3.5Å; Y170-A196 VanDerWaalsContact OH-O 3.12Å; Y170-F198 HydrophobicContact CE2-CB 4.42Å; Y170-F198 PolarHBondContact OH-O 3.3Å; Y170-L203 HydrophobicContact CD1-CD2 4.16Å; Y170-L203 HydrophobicContact CD2-CD1 3.9Å; Y170-L203 HydrophobicContact CD2-CD2 4.19Å; Y170-L203 HydrophobicContact CE1-CD2 4.36Å; Y170-L203 HydrophobicContact CE2-CD2 4.36Å; Y170-L203 HydrophobicContact CG-CD1 4.17Å; Y170-L203 HydrophobicContact CG-CD2 4.08Å; Y170-I216 PolarHBondContact N-O 2.85Å; Y170-T217 WeakPolarHBondContact O-CA 3.41Å; Y170-T217 WeakPolarHBondContact O-CB 3.35Å; Y170-T217 PolarHBondContact O-OG1 3.17Å; Y170-L230 HydrophobicContact CD1-CD2 4.31Å; Y170-L230 HydrophobicContact CE1-CB 4.31Å; Y170-L230 HydrophobicContact CE1-CD2 3.66Å; Y170-I233 HydrophobicContact CE1-CB 4.26Å; Y170-I233 HydrophobicContact CE1-CG2 4.09Å; Y170-I233 WeakPolarHBondContact OH-CD1 3.41Å; Y170-V234 HydrophobicContact CD1-CG2 3.63Å; Y170-V234 HydrophobicContact CE1-CG2 4.26Å; Y170-V234 HydrophobicContact CG-CG2 4.39Å
171	M	95.9	Very high	97.7	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.005	10%	0.099	C	C	.	.			trans	-138.1	144.6	-177.5	-68.5	-170.6	-75.3	0	0	110.7	I169 L176 A177 A180 I216 F218	I169-M171 HydrophobicContact CG2-CB 4.38Å; I169-M171 HydrophobicContact CG2-CE 3.63Å; M171-L176 HydrophobicContact SD-CD2 4.46Å; M171-A177 HydrophobicContact CB-CB 3.96Å; M171-A177 HydrophobicContact CE-CB 3.82Å; M171-A177 HydrophobicContact SD-CB 4.46Å; M171-A180 HydrophobicContact CE-CB 3.93Å; M171-I216 HydrophobicContact CE-CB 4.17Å; M171-I216 HydrophobicContact CE-CG2 3.52Å; M171-I216 HydrophobicContact SD-CG2 4.02Å; M171-F218 HydrophobicContact CB-CD2 3.93Å; M171-F218 HydrophobicContact CB-CE2 3.95Å; M171-F218 HydrophobicContact CG-CD2 3.67Å; M171-F218 HydrophobicContact CG-CE2 3.91Å; M171-F218 HydrophobicContact CG-CG 4.48Å; M171-F218 HydrophobicContact SD-CD2 3.77Å; M171-F218 HydrophobicContact SD-CE2 3.55Å; M171-F218 VanDerWaalsContact SD-CE2 3.55Å; M171-F218 HydrophobicContact SD-CG 4.39Å; M171-F218 HydrophobicContact SD-CZ 4Å
172	P	91.4	Very high	97.7	Very high	14 Å²	14	16.7 Å²	16.7	9%	0.091	10%	0.098	C	C	.	.			trans	-63.8	165.3	164.2	29.3	-36.2	0	0	0	110.9	S174 A196 F218 L230	P172-S174 PolarHBondContact O-N 2.91Å; P172-S174 VanDerWaalsContact O-N 3.16Å; P172-S174 PolarHBondContact O-OG 2.87Å; P172-A196 HydrophobicContact CB-CB 4.45Å; P172-F218 HydrophobicContact CG-CD2 4.36Å; P172-L230 HydrophobicContact CG-CD1 4.38Å
173	V	93.8	Very high	97.8	Very high	4 Å²	4	13 Å²	13	2%	0.024	7%	0.073	C	C	.	.	S	Bend	trans	-56.7	120	177.3	66.5	0	0	0	0	111.1	I336 V345 L358 F359	V173-I336 HydrophobicContact CB-CG1 4.28Å; V173-I336 HydrophobicContact CB-CG2 4.31Å; V173-I336 HydrophobicContact CG2-CG2 3.81Å; V173-V345 HydrophobicContact CG2-CG1 4.34Å; V173-L358 HydrophobicContact CG2-CB 3.91Å; V173-L358 HydrophobicContact CG2-CD2 3.83Å; V173-L358 HydrophobicContact CG2-CG 4.32Å; V173-F359 WeakPolarHBondContact CG1-O 3.48Å
174	S	98	Very high	97.9	Very high	1 Å²	1	6.8 Å²	6.8	1%	0.007	5%	0.05	C	C	.	.			trans	-163.3	159.9	-175.3	60.5	0	0	0	0	110.3	P172 L176 A177 V178 F218 L358	P172-S174 PolarHBondContact O-N 2.91Å; P172-S174 VanDerWaalsContact O-N 3.16Å; P172-S174 PolarHBondContact O-OG 2.87Å; S174-L176 PolarHBondContact O-N 3.27Å; S174-A177 PolarHBondContact O-N 3.14Å; S174-A177 VanDerWaalsContact O-N 3.12Å; S174-A177 WeakPolarHBondContact OG-CB 3.32Å; S174-A177 PolarHBondContact OG-N 2.83Å; S174-V178 PolarHBondContact O-N 2.81Å; S174-V178 VanDerWaalsContact O-N 3.09Å; S174-F218 WeakPolarHBondContact OG-CE2 3.43Å; S174-L358 VanDerWaalsContact C-CD1 3.41Å
175	P	98.7	Very high	98	Very high	18 Å²	18	4.6 Å²	4.6	12%	0.117	3%	0.027	C	C	.	.	H	α-helix	trans	-56.2	-37.9	176.5	-28.4	36	0	0	0	113.3	L127 W129 I140 V178 A179 L358	L127-P175 HydrophobicContact CD1-CB 4.29Å; W129-P175 HydrophobicContact CB-CG 3.74Å; W129-P175 HydrophobicContact CD2-CG 3.98Å; W129-P175 HydrophobicContact CE3-CG 3.89Å; W129-P175 VanDerWaalsContact CG-CD 3.48Å; W129-P175 HydrophobicContact CG-CG 3.95Å; I140-P175 HydrophobicContact CD1-CG 4.49Å; I140-P175 HydrophobicContact CG1-CB 4.01Å; I140-P175 HydrophobicContact CG1-CG 3.92Å; P175-V178 PolarHBondContact O-N 2.83Å; P175-A179 WeakPolarHBondContact O-CB 3.36Å; P175-A179 PolarHBondContact O-N 2.58Å; P175-L358 HydrophobicContact CG-CD1 4.14Å
176	L	98.7	Very high	98	Very high	25 Å²	25	3.7 Å²	3.7	13%	0.131	2%	0.021	C	C	.	.	H	α-helix	trans	-68.9	-35.9	178.9	-172.9	61.8	0	0	0	112.1	T148 L152 M171 S174 A179 A180 F218 A250 L266 M270	T148-L176 HydrophobicContact CG2-CD1 4.37Å; L152-L176 HydrophobicContact CD2-CD1 4.21Å; M171-L176 HydrophobicContact SD-CD2 4.46Å; S174-L176 PolarHBondContact O-N 3.27Å; L176-A179 PolarHBondContact O-N 3.28Å; L176-A180 WeakPolarHBondContact O-CB 3.48Å; L176-A180 PolarHBondContact O-N 3.19Å; L176-F218 HydrophobicContact CB-CZ 4.04Å; L176-F218 HydrophobicContact CD2-CE1 3.81Å; L176-F218 HydrophobicContact CD2-CZ 4.01Å; L176-A250 HydrophobicContact CD2-CB 3.31Å; L176-L266 HydrophobicContact CD1-CD2 4.49Å; L176-L266 HydrophobicContact CD2-CD2 4.08Å; L176-M270 HydrophobicContact CD1-CE 4.36Å; L176-M270 HydrophobicContact CD1-SD 4.17Å
177	A	98.6	Very high	98	Very high	0 Å²	0	3.5 Å²	3.5	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-68.3	-38.1	175	0	0	0	0	0	112.5	M171 S174 A180 M181 I336	M171-A177 HydrophobicContact CB-CB 3.96Å; M171-A177 HydrophobicContact CE-CB 3.82Å; M171-A177 HydrophobicContact SD-CB 4.46Å; S174-A177 PolarHBondContact O-N 3.14Å; S174-A177 VanDerWaalsContact O-N 3.12Å; S174-A177 WeakPolarHBondContact OG-CB 3.32Å; S174-A177 PolarHBondContact OG-N 2.83Å; A177-A180 WeakPolarHBondContact O-CB 3.26Å; A177-A180 PolarHBondContact O-N 3.45Å; A177-M181 WeakPolarHBondContact O-CG 3.4Å; A177-M181 PolarHBondContact O-N 2.99Å; A177-M181 VanDerWaalsContact O-N 3.1Å; A177-I336 HydrophobicContact CB-CD1 3.32Å
178	V	98.9	Very high	98	Very high	0 Å²	0	3.5 Å²	3.5	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-62.9	-46.8	170.9	176.9	0	0	0	0	110.9	L127 L145 S174 P175 A180 M181 L182 V346 L350 L358	L127-V178 HydrophobicContact CD1-CB 4.15Å; L127-V178 HydrophobicContact CD1-CG1 4.08Å; L127-V178 HydrophobicContact CD1-CG2 4.41Å; L127-V178 HydrophobicContact CD2-CG1 4.44Å; L145-V178 HydrophobicContact CD1-CG1 4.45Å; S174-V178 PolarHBondContact O-N 2.81Å; S174-V178 VanDerWaalsContact O-N 3.09Å; P175-V178 PolarHBondContact O-N 2.83Å; V178-A180 VanDerWaalsContact C-N 3.26Å; V178-A180 PolarHBondContact O-N 3.28Å; V178-M181 PolarHBondContact O-N 3.21Å; V178-L182 HydrophobicContact CG1-CD1 3.92Å; V178-L182 WeakPolarHBondContact O-CG 3.24Å; V178-L182 PolarHBondContact O-N 2.82Å; V178-V346 HydrophobicContact CG1-CG1 4.04Å; V178-V346 HydrophobicContact CG1-CG2 4.34Å; V178-V346 HydrophobicContact CG2-CG2 3.9Å; V178-L350 HydrophobicContact CG1-CD1 3.95Å; V178-L358 HydrophobicContact CG2-CD1 3.92Å; V178-L358 HydrophobicContact CG2-CD2 4.02Å
179	A	98.9	Very high	98	Very high	0 Å²	0	3.5 Å²	3.5	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-60.4	-35.1	175.8	0	0	0	0	0	112	L145 T148 L152 P175 L176 L182 A183	L145-A179 HydrophobicContact CD1-CB 4.13Å; T148-A179 HydrophobicContact CG2-CB 3.81Å; L152-A179 HydrophobicContact CD2-CB 4.45Å; P175-A179 WeakPolarHBondContact O-CB 3.36Å; P175-A179 PolarHBondContact O-N 2.58Å; L176-A179 PolarHBondContact O-N 3.28Å; A179-L182 PolarHBondContact O-N 3.18Å; A179-A183 WeakPolarHBondContact O-CA 3.48Å; A179-A183 WeakPolarHBondContact O-CB 3.43Å; A179-A183 PolarHBondContact O-N 2.82Å
180	A	98.9	Very high	98	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-65.7	-44.8	176.3	0	0	0	0	0	112.8	L152 I169 M171 L176 A177 V178 L182 A183 C184 I216	L152-A180 HydrophobicContact CD2-CB 3.75Å; I169-A180 HydrophobicContact CD1-CB 3.75Å; I169-A180 HydrophobicContact CG1-CB 4.28Å; M171-A180 HydrophobicContact CE-CB 3.93Å; L176-A180 WeakPolarHBondContact O-CB 3.48Å; L176-A180 PolarHBondContact O-N 3.19Å; A177-A180 WeakPolarHBondContact O-CB 3.26Å; A177-A180 PolarHBondContact O-N 3.45Å; V178-A180 VanDerWaalsContact C-N 3.26Å; V178-A180 PolarHBondContact O-N 3.28Å; A180-L182 VanDerWaalsContact C-N 3.34Å; A180-L182 PolarHBondContact O-N 3.25Å; A180-A183 PolarHBondContact O-N 3.32Å; A180-C184 PolarHBondContact O-N 2.97Å; A180-C184 PolarHBondContact O-SG 3.32Å; A180-I216 HydrophobicContact CB-CD1 3.95Å
181	M	98.9	Very high	98.1	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-59.9	-45.9	174.5	-65.6	168.1	68.7	0	0	111	I169 A177 V178 A185 V193 H342 V346 Y347	I169-M181 HydrophobicContact CD1-CG 3.87Å; A177-M181 WeakPolarHBondContact O-CG 3.4Å; A177-M181 PolarHBondContact O-N 2.99Å; A177-M181 VanDerWaalsContact O-N 3.1Å; V178-M181 PolarHBondContact O-N 3.21Å; M181-A185 PolarHBondContact O-N 2.87Å; M181-A185 VanDerWaalsContact O-N 3.08Å; M181-V193 HydrophobicContact CE-CG2 4.35Å; M181-V193 HydrophobicContact CG-CG2 3.89Å; M181-V193 HydrophobicContact SD-CG2 4.03Å; M181-H342 HydrophobicContact CE-CB 4.48Å; M181-V346 HydrophobicContact CE-CB 4.21Å; M181-V346 HydrophobicContact CE-CG1 4.25Å; M181-V346 HydrophobicContact CE-CG2 4.06Å; M181-V346 HydrophobicContact SD-CG2 3.97Å; M181-Y347 HydrophobicContact CE-CE2 3.8Å
182	L	98.9	Very high	98.2	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-71.4	-32.7	180	-63.6	173.1	0	0	0	112.3	C113 L114 L145 T149 V178 A179 A180 A185 R186 V346 Y347 L350	C113-L182 HydrophobicContact CB-CD2 3.93Å; L114-L182 HydrophobicContact CD1-CB 4.34Å; L114-L182 HydrophobicContact CD1-CD1 3.84Å; L114-L182 HydrophobicContact CD2-CD1 3.97Å; L114-L182 HydrophobicContact CG-CD1 4.02Å; L145-L182 HydrophobicContact CD2-CD1 4.36Å; T149-L182 HydrophobicContact CG2-CB 3.79Å; V178-L182 HydrophobicContact CG1-CD1 3.92Å; V178-L182 WeakPolarHBondContact O-CG 3.24Å; V178-L182 PolarHBondContact O-N 2.82Å; A179-L182 PolarHBondContact O-N 3.18Å; A180-L182 VanDerWaalsContact C-N 3.34Å; A180-L182 PolarHBondContact O-N 3.25Å; L182-A185 PolarHBondContact O-N 3.15Å; L182-R186 VanDerWaalsContact O-CB 3.26Å; L182-R186 WeakPolarHBondContact O-CB 3.46Å; L182-R186 PolarHBondContact O-N 3.32Å; L182-V346 HydrophobicContact CD2-CG1 4.49Å; L182-Y347 HydrophobicContact CD2-CE1 4.08Å; L182-L350 HydrophobicContact CD1-CD1 3.93Å
183	A	98.9	Very high	98.5	Very high	0 Å²	0	3.3 Å²	3.3	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-66.9	-42.5	176.5	0	0	0	0	0	110.8	T149 L152 A153 L156 A179 A180 R186 I187	T149-A183 HydrophobicContact CG2-CB 4.19Å; L152-A183 HydrophobicContact CB-CB 4.01Å; L152-A183 HydrophobicContact CD2-CB 4.17Å; L152-A183 HydrophobicContact CG-CB 3.87Å; A153-A183 HydrophobicContact CB-CB 4.04Å; L156-A183 HydrophobicContact CD1-CB 4.18Å; A179-A183 WeakPolarHBondContact O-CA 3.48Å; A179-A183 WeakPolarHBondContact O-CB 3.43Å; A179-A183 PolarHBondContact O-N 2.82Å; A180-A183 PolarHBondContact O-N 3.32Å; A183-R186 WeakPolarHBondContact O-CB 3.13Å; A183-R186 PolarHBondContact O-N 3.18Å; A183-I187 WeakPolarHBondContact O-CG1 3.46Å; A183-I187 PolarHBondContact O-N 3.28Å
184	C	98.9	Very high	98.2	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.018	C	C	.	.	H	α-helix	trans	-60.4	-50.4	172.9	-63.9	0	0	0	0	110.7	A180 R186 I187 G188 A189 H191	A180-C184 PolarHBondContact O-N 2.97Å; A180-C184 PolarHBondContact O-SG 3.32Å; C184-R186 VanDerWaalsContact C-N 3.26Å; C184-R186 PolarHBondContact O-N 2.8Å; C184-I187 PolarHBondContact O-N 3.09Å; C184-G188 PolarHBondContact O-N 3.31Å; C184-A189 CarbonylContact C-O 3.59Å; C184-A189 HydrophobicContact CB-CB 4.1Å; C184-A189 PolarHBondContact O-N 2.95Å; C184-H191 HydrophobicContact CB-CB 3.81Å
185	A	98.9	Very high	97.4	Very high	0 Å²	0	3.5 Å²	3.5	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-59.2	-35.8	176.7	0	0	0	0	0	112.8	N108 V109 M181 L182 I187 G188 L288	N108-A185 PolarHBondContact ND2-O 3.13Å; N108-A185 VanDerWaalsContact ND2-O 3.16Å; V109-A185 HydrophobicContact CB-CB 4.3Å; V109-A185 HydrophobicContact CG1-CB 4.42Å; M181-A185 PolarHBondContact O-N 2.87Å; M181-A185 VanDerWaalsContact O-N 3.08Å; L182-A185 PolarHBondContact O-N 3.15Å; A185-I187 VanDerWaalsContact C-N 3.34Å; A185-I187 PolarHBondContact O-N 2.76Å; A185-G188 PolarHBondContact O-N 2.97Å; A185-L288 HydrophobicContact CB-CD1 3.6Å
186	R	98.9	Very high	96.4	Very high	8 Å²	8	2.8 Å²	2.8	3%	0.03	2%	0.015	C	C	.	.	H	α-helix	trans	-63.7	-38.7	178.8	-169.2	173.5	-166	84.4	-0.4	112.3	N108 S110 D115 L182 A183 C184 C277 P279 E280	N108-R186 PolarHBondContact ND2-O 2.98Å; S110-R186 PolarHBondContact OG-NH1 2.89Å; S110-R186 VanDerWaalsContact OG-NH1 3.12Å; D115-R186 IonicContact OD1-CZ 3.06Å; D115-R186 IonicContact OD1-NH1 3.34Å; D115-R186 PolarHBondContact OD1-NH1 3.33Å; D115-R186 IonicContact OD1-NH2 2.86Å; D115-R186 PolarHBondContact OD1-NH2 3.3Å; D115-R186 IonicContact OD2-CZ 2.62Å; D115-R186 IonicContact OD2-NH1 3.79Å; D115-R186 PolarHBondContact OD2-NH1 3.27Å; D115-R186 IonicContact OD2-NH2 2.7Å; L182-R186 VanDerWaalsContact O-CB 3.26Å; L182-R186 WeakPolarHBondContact O-CB 3.46Å; L182-R186 PolarHBondContact O-N 3.32Å; A183-R186 WeakPolarHBondContact O-CB 3.13Å; A183-R186 PolarHBondContact O-N 3.18Å; C184-R186 VanDerWaalsContact C-N 3.26Å; C184-R186 PolarHBondContact O-N 2.8Å; R186-C277 VanDerWaalsContact CZ-O 3.22Å; R186-C277 PolarHBondContact NE-O 3.35Å; R186-C277 PolarHBondContact NH2-O 3.16Å; R186-P279 HydrophobicContact CG-CB 4.13Å; R186-P279 WeakPolarHBondContact O-CA 3.37Å; R186-E280 PolarHBondContact O-N 3.27Å
187	I	98.9	Very high	95.1	Very high	2 Å²	2	1.9 Å²	1.9	1%	0.01	1%	0.012	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	7.8	-177.1	71.3	179.4	0	0	0	113.5	A153 L156 K157 V161 A183 C184 A185 A189	A153-I187 HydrophobicContact CB-CG2 3.64Å; L156-I187 HydrophobicContact CB-CD1 3.82Å; L156-I187 HydrophobicContact CD1-CD1 4.28Å; K157-I187 HydrophobicContact CD-CG2 4.07Å; K157-I187 VanDerWaalsContact CE-CG2 3.48Å; K157-I187 HydrophobicContact CG-CD1 4.21Å; K157-I187 HydrophobicContact CG-CG2 4.23Å; V161-I187 HydrophobicContact CB-CD1 4.33Å; V161-I187 HydrophobicContact CG1-CD1 3.88Å; A183-I187 WeakPolarHBondContact O-CG1 3.46Å; A183-I187 PolarHBondContact O-N 3.28Å; C184-I187 PolarHBondContact O-N 3.09Å; A185-I187 VanDerWaalsContact C-N 3.34Å; A185-I187 PolarHBondContact O-N 2.76Å; I187-A189 HydrophobicContact CD1-CB 4.25Å; I187-A189 HydrophobicContact CG1-CB 3.9Å; I187-A189 PolarHBondContact O-N 2.87Å
188	G	98.7	Very high	93.8	Very high	1 Å²	1	2.8 Å²	2.8	1%	0.01	2%	0.015	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.9	17	-178.2	0	0	0	0	0	114.7	R163 G164 C184 A185 M282	R163-G188 CarbonylContact C-O 3.52Å; R163-G188 WeakPolarHBondContact CA-O 3.4Å; G164-G188 PolarHBondContact N-O 3.41Å; C184-G188 PolarHBondContact O-N 3.31Å; A185-G188 PolarHBondContact O-N 2.97Å; G188-M282 VanDerWaalsContact CA-CE 3.46Å; G188-M282 WeakPolarHBondContact CA-SD 3.37Å
189	A	98.8	Very high	92.7	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	3%	0.027	C	C	.	.			trans	-78.7	150.4	170.6	0	0	0	0	0	110.2	V161 D165 V167 C184 I187	V161-A189 HydrophobicContact CG1-CB 3.67Å; D165-A189 CarbonylContact O-C 3.55Å; D165-A189 WeakPolarHBondContact O-CA 3.41Å; D165-A189 WeakPolarHBondContact O-CB 3.42Å; V167-A189 HydrophobicContact CG2-CB 4.31Å; C184-A189 CarbonylContact C-O 3.59Å; C184-A189 HydrophobicContact CB-CB 4.1Å; C184-A189 PolarHBondContact O-N 2.95Å; I187-A189 HydrophobicContact CD1-CB 4.25Å; I187-A189 HydrophobicContact CG1-CB 3.9Å; I187-A189 PolarHBondContact O-N 2.87Å
190	V	98.8	Very high	91.8	Very high	8 Å²	8	5.3 Å²	5.3	5%	0.048	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	110.1	179	-179.5	0	0	0	0	108.4	D165 C166 V167 V287 M290	D165-V190 PolarHBondContact O-N 3.08Å; C166-V190 CarbonylContact C-O 3.37Å; C166-V190 VanDerWaalsContact CA-O 3.24Å; C166-V190 WeakPolarHBondContact CA-O 3.11Å; V167-V190 PolarHBondContact N-O 3.31Å; V190-V287 HydrophobicContact CB-CG1 4.21Å; V190-V287 HydrophobicContact CG1-CG1 3.52Å; V190-V287 HydrophobicContact CG2-CB 3.77Å; V190-V287 HydrophobicContact CG2-CG1 3.6Å; V190-M290 HydrophobicContact CG1-CE 3.83Å; V190-M290 HydrophobicContact CG1-CG 3.98Å
191	H	98.8	Very high	90.6	Very high	0 Å²	0	9 Å²	9	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	149.9	174.3	71.8	84.2	0	0	0	111.2	V167 I169 C184 F289 M290 H342 Y347	V167-H191 CarbonylContact O-C 3.38Å; V167-H191 WeakPolarHBondContact O-CA 3.11Å; I169-H191 HydrophobicContact CD1-CB 3.8Å; C184-H191 HydrophobicContact CB-CB 3.81Å; H191-F289 WeakPolarHBondContact CE1-CB 3.49Å; H191-F289 AromaticContact CE1-CG 3.84Å; H191-F289 VanDerWaalsContact NE2-CB 3.35Å; H191-F289 WeakPolarHBondContact NE2-CB 3.4Å; H191-F289 VanDerWaalsContact O-CA 3.27Å; H191-F289 WeakPolarHBondContact O-CA 3.45Å; H191-F289 WeakPolarHBondContact O-CB 3.42Å; H191-M290 PolarHBondContact O-N 3.36Å; H191-H342 AromaticContact CE1-CD2 3.8Å; H191-H342 AromaticContact CE1-NE2 3.67Å; H191-Y347 AromaticContact NE2-CZ 3.87Å; H191-Y347 PolarHBondContact NE2-OH 3.27Å
192	T	98.1	Very high	89.5	Confident	0 Å²	0	9.5 Å²	9.5	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	105.8	166.4	-172.4	0	0	0	0	109.4	V167 A168 I169 A210 C212 M290 Y292	V167-T192 PolarHBondContact O-N 3.28Å; A168-T192 WeakPolarHBondContact CA-O 3.31Å; A168-T192 HydrophobicContact CB-CG2 4.21Å; I169-T192 PolarHBondContact N-O 3.11Å; T192-A210 HydrophobicContact CG2-CB 4.26Å; T192-C212 VanDerWaalsContact CG2-SG 3.54Å; T192-M290 VanDerWaalsContact CA-O 3.32Å; T192-M290 WeakPolarHBondContact CA-O 3.47Å; T192-M290 WeakPolarHBondContact CB-O 3.14Å; T192-M290 PolarHBondContact OG1-O 3.38Å; T192-Y292 WeakPolarHBondContact OG1-CD2 3.25Å
193	V	97.7	Very high	88.8	Confident	3 Å²	3	9.5 Å²	9.5	2%	0.018	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	125.5	177.3	-170.6	0	0	0	0	108.8	I169 M181 I336	I169-V193 HydrophobicContact CB-CG2 4.25Å; I169-V193 HydrophobicContact CD1-CG2 4.3Å; I169-V193 HydrophobicContact CG2-CG1 4.45Å; I169-V193 WeakPolarHBondContact O-CA 3.29Å; M181-V193 HydrophobicContact CE-CG2 4.35Å; M181-V193 HydrophobicContact CG-CG2 3.89Å; M181-V193 HydrophobicContact SD-CG2 4.03Å; V193-I336 HydrophobicContact CG1-CD1 4.4Å; V193-I336 HydrophobicContact CG1-CG1 4.25Å
194	I	88.7	Confident	88.2	Confident	2 Å²	2	9.9 Å²	9.9	1%	0.01	7%	0.071	C	C	.	.			trans	-113.8	123.1	-179.8	-58.4	171.4	0	0	0	107	A168 I169 Y170 A196 F198 L203 R206 I207	A168-I194 HydrophobicContact CB-CD1 4.21Å; I169-I194 PolarHBondContact O-N 3.5Å; Y170-I194 HydrophobicContact CD2-CB 4.11Å; Y170-I194 HydrophobicContact CD2-CG2 3.93Å; Y170-I194 WeakPolarHBondContact CD2-O 3.49Å; Y170-I194 HydrophobicContact CE2-CG2 4.32Å; I194-A196 PolarHBondContact O-N 2.94Å; I194-A196 VanDerWaalsContact O-N 3.16Å; I194-F198 HydrophobicContact CG2-CD2 3.78Å; I194-L203 HydrophobicContact CB-CD1 4.21Å; I194-L203 HydrophobicContact CD1-CD1 3.48Å; I194-L203 VanDerWaalsContact CD1-CD1 3.48Å; I194-L203 HydrophobicContact CG1-CD1 4.43Å; I194-L203 HydrophobicContact CG2-CD1 3.95Å; I194-R206 HydrophobicContact CD1-CB 3.76Å; I194-R206 HydrophobicContact CG1-CB 4.35Å; I194-I207 HydrophobicContact CD1-CG1 4.3Å
195	F	81.6	Confident	87.4	Confident	7 Å²	7	11.6 Å²	11.6	3%	0.031	9%	0.089	C	C	.	.			trans	-52.9	122.9	-177.5	177.6	-118.1	0	0	0	111.3	Y170 G197 F198 D335 W338 R638	Y170-F195 VanDerWaalsContact CE2-O 3.29Å; Y170-F195 WeakPolarHBondContact CE2-O 3.42Å; F195-G197 PolarHBondContact O-N 3.06Å; F195-F198 HydrophobicContact CB-CD1 4.29Å; F195-F198 HydrophobicContact CB-CD2 4.43Å; F195-F198 HydrophobicContact CB-CE1 4.13Å; F195-F198 HydrophobicContact CB-CE2 4.29Å; F195-F198 HydrophobicContact CB-CG 4.43Å; F195-F198 HydrophobicContact CB-CZ 4.15Å; F195-F198 AromaticContact CD1-CD1 3.79Å; F195-F198 HydrophobicContact CD1-CD1 3.79Å; F195-F198 AromaticContact CD1-CE1 3.79Å; F195-F198 HydrophobicContact CD1-CE1 3.79Å; F195-F198 HydrophobicContact CG-CE1 4.43Å; F195-F198 WeakPolarHBondContact O-CB 3.4Å; F195-F198 PolarHBondContact O-N 2.88Å; F195-D335 HydrophobicContact CD2-CB 4.38Å; F195-D335 WeakPolarHBondContact CD2-OD1 3.41Å; F195-D335 HydrophobicContact CE2-CB 4.12Å; F195-W338 AromaticContact CD2-NE1 3.86Å; F195-R638 HydrophobicContact CE1-CB 3.8Å; F195-R638 HydrophobicContact CE1-CG 3.99Å; F195-R638 HydrophobicContact CZ-CB 3.69Å; F195-R638 HydrophobicContact CZ-CG 4.24Å
196	A	75.8	Confident	86.8	Confident	3 Å²	3	12.3 Å²	12.3	3%	0.025	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-2.3	-173.9	0	0	0	0	0	114.4	Y170 P172 I194 M228 L230	Y170-A196 PolarHBondContact OH-O 3.5Å; Y170-A196 VanDerWaalsContact OH-O 3.12Å; P172-A196 HydrophobicContact CB-CB 4.45Å; I194-A196 PolarHBondContact O-N 2.94Å; I194-A196 VanDerWaalsContact O-N 3.16Å; A196-M228 WeakPolarHBondContact O-CE 3.29Å; A196-L230 HydrophobicContact CB-CD2 3.98Å; A196-L230 WeakPolarHBondContact O-CD2 3.32Å
197	G	72.3	Confident	86.7	Confident	6 Å²	6	11.9 Å²	11.9	6%	0.062	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-7	171.8	0	0	0	0	0	116	F195 R638	F195-G197 PolarHBondContact O-N 3.06Å; G197-R638 VanDerWaalsContact CA-CZ 3.47Å; G197-R638 PolarHBondContact O-NH2 3.36Å
198	F	72.5	Confident	86.5	Confident	18 Å²	18	14.6 Å²	14.6	8%	0.079	11%	0.105	C	C	.	.	S	Bend	trans	-73.2	153.9	-177.5	-76.5	-3.2	0	0	0	113.4	Y170 I194 F195 R206 T663	Y170-F198 HydrophobicContact CE2-CB 4.42Å; Y170-F198 PolarHBondContact OH-O 3.3Å; I194-F198 HydrophobicContact CG2-CD2 3.78Å; F195-F198 HydrophobicContact CB-CD1 4.29Å; F195-F198 HydrophobicContact CB-CD2 4.43Å; F195-F198 HydrophobicContact CB-CE1 4.13Å; F195-F198 HydrophobicContact CB-CE2 4.29Å; F195-F198 HydrophobicContact CB-CG 4.43Å; F195-F198 HydrophobicContact CB-CZ 4.15Å; F195-F198 AromaticContact CD1-CD1 3.79Å; F195-F198 HydrophobicContact CD1-CD1 3.79Å; F195-F198 AromaticContact CD1-CE1 3.79Å; F195-F198 HydrophobicContact CD1-CE1 3.79Å; F195-F198 HydrophobicContact CG-CE1 4.43Å; F195-F198 WeakPolarHBondContact O-CB 3.4Å; F195-F198 PolarHBondContact O-N 2.88Å; F198-R206 VanDerWaalsContact CE2-CZ 3.42Å; F198-T663 HydrophobicContact CD1-CG2 4.11Å; F198-T663 HydrophobicContact CE1-CG2 3.46Å; F198-T663 VanDerWaalsContact CE1-CG2 3.46Å; F198-T663 HydrophobicContact CZ-CG2 4.09Å
199	S	75.4	Confident	86.1	Confident	35 Å²	35	17.7 Å²	17.7	25%	0.245	12%	0.121	C	C	.	.			trans	-69.8	166.8	175.4	77	0	0	0	0	112.5	A201 S202 L203	S199-A201 VanDerWaalsContact C-N 3.3Å; S199-A201 PolarHBondContact O-N 3.24Å; S199-A201 PolarHBondContact OG-N 2.92Å; S199-S202 PolarHBondContact O-N 2.94Å; S199-S202 PolarHBondContact OG-N 3.11Å; S199-S202 VanDerWaalsContact OG-N 3.12Å; S199-S202 PolarHBondContact OG-OG 2.92Å; S199-L203 WeakPolarHBondContact O-CB 3.23Å; S199-L203 PolarHBondContact O-N 3.24Å
200	A	78.8	Confident	86	Confident	19 Å²	19	17.7 Å²	17.7	16%	0.157	12%	0.121	C	C	.	.	H	α-helix	trans	-58.9	-40.1	174.3	0	0	0	0	0	112.4	L203 A204 I233 E236 A237	A200-L203 PolarHBondContact O-N 3.12Å; A200-A204 VanDerWaalsContact O-CB 3.29Å; A200-A204 WeakPolarHBondContact O-CB 3.12Å; A200-A204 PolarHBondContact O-N 3.33Å; A200-I233 HydrophobicContact CB-CG2 4.1Å; A200-I233 WeakPolarHBondContact CB-O 3.46Å; A200-E236 HydrophobicContact CB-CB 3.67Å; A200-E236 HydrophobicContact CB-CG 3.72Å; A200-A237 HydrophobicContact CB-CB 4.26Å; A200-A237 WeakPolarHBondContact O-CB 3.33Å
201	A	74	Confident	85.9	Confident	78 Å²	78	23.7 Å²	23.7	65%	0.645	15%	0.147	S	C	*	.	H	α-helix	trans	-66	-45.2	177.6	0	0	0	0	0	111.9	S199 L203 A204 G205	S199-A201 VanDerWaalsContact C-N 3.3Å; S199-A201 PolarHBondContact O-N 3.24Å; S199-A201 PolarHBondContact OG-N 2.92Å; A201-L203 VanDerWaalsContact C-N 3.29Å; A201-L203 PolarHBondContact O-N 2.96Å; A201-A204 PolarHBondContact O-N 2.87Å; A201-G205 PolarHBondContact O-N 3.06Å
202	S	75.4	Confident	85.8	Confident	10 Å²	10	23.7 Å²	23.7	7%	0.07	15%	0.147	C	C	.	.	H	α-helix	trans	-65.7	-34.1	178.1	-50.5	0	0	0	0	111.7	S199 R206 D660 T662	S199-S202 PolarHBondContact O-N 2.94Å; S199-S202 PolarHBondContact OG-N 3.11Å; S199-S202 VanDerWaalsContact OG-N 3.12Å; S199-S202 PolarHBondContact OG-OG 2.92Å; S202-R206 WeakPolarHBondContact O-CG 3.27Å; S202-R206 PolarHBondContact O-NH1 2.93Å; S202-D660 PolarHBondContact OG-OD2 3.48Å; S202-T662 PolarHBondContact OG-OG1 2.93Å; S202-T662 VanDerWaalsContact OG-OG1 3.1Å
203	L	84.7	Confident	85.8	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-67	-53.1	172	173.9	58.2	0	0	0	111.1	Y170 I194 S199 A200 A201 G205 R206 I207 I233 V234 A237	Y170-L203 HydrophobicContact CD1-CD2 4.16Å; Y170-L203 HydrophobicContact CD2-CD1 3.9Å; Y170-L203 HydrophobicContact CD2-CD2 4.19Å; Y170-L203 HydrophobicContact CE1-CD2 4.36Å; Y170-L203 HydrophobicContact CE2-CD2 4.36Å; Y170-L203 HydrophobicContact CG-CD1 4.17Å; Y170-L203 HydrophobicContact CG-CD2 4.08Å; I194-L203 HydrophobicContact CB-CD1 4.21Å; I194-L203 HydrophobicContact CD1-CD1 3.48Å; I194-L203 VanDerWaalsContact CD1-CD1 3.48Å; I194-L203 HydrophobicContact CG1-CD1 4.43Å; I194-L203 HydrophobicContact CG2-CD1 3.95Å; S199-L203 WeakPolarHBondContact O-CB 3.23Å; S199-L203 PolarHBondContact O-N 3.24Å; A200-L203 PolarHBondContact O-N 3.12Å; A201-L203 VanDerWaalsContact C-N 3.29Å; A201-L203 PolarHBondContact O-N 2.96Å; L203-G205 VanDerWaalsContact C-N 3.34Å; L203-G205 PolarHBondContact O-N 2.73Å; L203-R206 PolarHBondContact O-N 3.06Å; L203-R206 VanDerWaalsContact O-N 3.16Å; L203-I207 HydrophobicContact CD1-CD1 3.68Å; L203-I207 HydrophobicContact CD1-CG1 4.09Å; L203-I207 HydrophobicContact CG-CD1 3.77Å; L203-I207 WeakPolarHBondContact O-CG1 3.42Å; L203-I207 PolarHBondContact O-N 3.26Å; L203-I233 HydrophobicContact CD2-CG2 4.21Å; L203-V234 HydrophobicContact CD2-CG2 3.91Å; L203-A237 HydrophobicContact CB-CB 4.09Å; L203-A237 HydrophobicContact CD2-CB 3.67Å; L203-A237 HydrophobicContact CG-CB 3.77Å
204	A	86.6	Confident	85.9	Confident	7 Å²	7	26.4 Å²	26.4	6%	0.058	16%	0.158	C	C	.	.	H	α-helix	trans	-58.5	-43.1	-178.9	0	0	0	0	0	112.5	A200 A201 R206 I207 N208 A237 H240	A200-A204 VanDerWaalsContact O-CB 3.29Å; A200-A204 WeakPolarHBondContact O-CB 3.12Å; A200-A204 PolarHBondContact O-N 3.33Å; A201-A204 PolarHBondContact O-N 2.87Å; A204-R206 VanDerWaalsContact C-N 3.28Å; A204-R206 PolarHBondContact O-N 3.29Å; A204-I207 PolarHBondContact O-N 2.63Å; A204-N208 WeakPolarHBondContact O-CB 3.47Å; A204-N208 PolarHBondContact O-N 2.92Å; A204-N208 PolarHBondContact O-ND2 3.1Å; A204-A237 HydrophobicContact CB-CB 4.05Å; A204-H240 HydrophobicContact CB-CB 4.47Å
205	G	81.5	Confident	86.3	Confident	36 Å²	36	26.3 Å²	26.3	37%	0.371	16%	0.158	S	C	.	.	H	α-helix	trans	-58.3	-38.7	178	0	0	0	0	0	113.2	A201 L203 D209	A201-G205 PolarHBondContact O-N 3.06Å; L203-G205 VanDerWaalsContact C-N 3.34Å; L203-G205 PolarHBondContact O-N 2.73Å; G205-D209 WeakPolarHBondContact O-CB 3.16Å; G205-D209 PolarHBondContact O-N 3.22Å; G205-D209 VanDerWaalsContact O-N 3.12Å
206	R	87.3	Confident	87.2	Confident	15 Å²	15	26 Å²	26	6%	0.057	16%	0.156	C	C	.	.	H	α-helix	trans	-75.4	-41.6	177.9	-69.2	169.9	172.8	68.2	2.4	112.1	I194 F198 S202 L203 A204 N208 D209 A210 Y292	I194-R206 HydrophobicContact CD1-CB 3.76Å; I194-R206 HydrophobicContact CG1-CB 4.35Å; F198-R206 VanDerWaalsContact CE2-CZ 3.42Å; S202-R206 WeakPolarHBondContact O-CG 3.27Å; S202-R206 PolarHBondContact O-NH1 2.93Å; L203-R206 PolarHBondContact O-N 3.06Å; L203-R206 VanDerWaalsContact O-N 3.16Å; A204-R206 VanDerWaalsContact C-N 3.28Å; A204-R206 PolarHBondContact O-N 3.29Å; R206-N208 VanDerWaalsContact C-N 3.28Å; R206-N208 PolarHBondContact O-N 2.67Å; R206-D209 PolarHBondContact O-N 3.39Å; R206-A210 WeakPolarHBondContact O-CB 3.42Å; R206-A210 PolarHBondContact O-N 2.73Å; R206-Y292 HydrophobicContact CB-CD2 3.91Å; R206-Y292 HydrophobicContact CB-CE2 4.03Å; R206-Y292 HydrophobicContact CB-CG 4.22Å; R206-Y292 HydrophobicContact CG-CD1 3.97Å; R206-Y292 HydrophobicContact CG-CD2 3.83Å; R206-Y292 HydrophobicContact CG-CE1 4.45Å; R206-Y292 HydrophobicContact CG-CE2 4.34Å; R206-Y292 HydrophobicContact CG-CG 3.63Å
207	I	95.7	Very high	88.3	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-57	-45.8	174.7	-73.1	171	0	0	0	110.4	A168 I194 L203 A204 K211 C212 V215 C241 V244	A168-I207 HydrophobicContact CB-CG1 3.97Å; I194-I207 HydrophobicContact CD1-CG1 4.3Å; L203-I207 HydrophobicContact CD1-CD1 3.68Å; L203-I207 HydrophobicContact CD1-CG1 4.09Å; L203-I207 HydrophobicContact CG-CD1 3.77Å; L203-I207 WeakPolarHBondContact O-CG1 3.42Å; L203-I207 PolarHBondContact O-N 3.26Å; A204-I207 PolarHBondContact O-N 2.63Å; I207-K211 WeakPolarHBondContact O-CA 3.22Å; I207-K211 PolarHBondContact O-N 2.79Å; I207-C212 HydrophobicContact CG2-CB 4.16Å; I207-C212 PolarHBondContact O-N 2.84Å; I207-V215 HydrophobicContact CD1-CG2 3.75Å; I207-V215 HydrophobicContact CG1-CG2 4.47Å; I207-C241 HydrophobicContact CG2-CB 3.57Å; I207-C241 WeakPolarHBondContact CG2-SG 3.4Å; I207-V244 HydrophobicContact CG2-CG2 3.51Å
208	N	94.6	Very high	89.5	Confident	58 Å²	58	26 Å²	26	31%	0.31	15%	0.154	S	C	.	.	H	α-helix	trans	-68.8	-43.6	-178	-76.1	-24.2	0	0	0	112.6	A204 R206 K211 H240 C241	A204-N208 WeakPolarHBondContact O-CB 3.47Å; A204-N208 PolarHBondContact O-N 2.92Å; A204-N208 PolarHBondContact O-ND2 3.1Å; R206-N208 VanDerWaalsContact C-N 3.28Å; R206-N208 PolarHBondContact O-N 2.67Å; N208-K211 PolarHBondContact O-N 2.84Å; N208-K211 VanDerWaalsContact O-N 3.14Å; N208-H240 PolarHBondContact ND2-O 2.62Å; N208-H240 PolarHBondContact OD1-O 3.33Å; N208-C241 VanDerWaalsContact OD1-CA 3.3Å; N208-C241 WeakPolarHBondContact OD1-CA 3.49Å
209	D	92	Very high	90.7	Very high	66 Å²	66	25.3 Å²	25.3	35%	0.353	15%	0.151	S	C	.	.	H	α-helix	trans	-62.5	-45.4	177.7	-174	82.3	0	0	0	111.5	G205 R206 K211 Y292 Y510	G205-D209 WeakPolarHBondContact O-CB 3.16Å; G205-D209 PolarHBondContact O-N 3.22Å; G205-D209 VanDerWaalsContact O-N 3.12Å; R206-D209 PolarHBondContact O-N 3.39Å; D209-K211 PolarHBondContact O-N 2.93Å; D209-Y292 HydrophobicContact CB-CE1 4.06Å; D209-Y292 WeakPolarHBondContact CB-OH 3.4Å; D209-Y292 WeakPolarHBondContact OD2-CE1 3.46Å; D209-Y292 VanDerWaalsContact OD2-CZ 3.28Å; D209-Y292 PolarHBondContact OD2-OH 3.36Å; D209-Y510 WeakPolarHBondContact O-CE1 3.43Å
210	A	95.3	Very high	91.7	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-7.3	175.6	0	0	0	0	0	113.7	C166 T192 R206 C212 M290 Y292	C166-A210 HydrophobicContact CB-CB 4.41Å; C166-A210 WeakPolarHBondContact CB-O 3.49Å; C166-A210 PolarHBondContact SG-O 2.98Å; C166-A210 VanDerWaalsContact SG-O 3.35Å; T192-A210 HydrophobicContact CG2-CB 4.26Å; R206-A210 WeakPolarHBondContact O-CB 3.42Å; R206-A210 PolarHBondContact O-N 2.73Å; A210-C212 WeakPolarHBondContact CB-SG 3.23Å; A210-C212 PolarHBondContact O-N 3.48Å; A210-M290 HydrophobicContact CB-CE 3.48Å; A210-M290 VanDerWaalsContact CB-CE 3.48Å; A210-M290 HydrophobicContact CB-SD 4.49Å; A210-Y292 WeakPolarHBondContact CA-OH 3.22Å; A210-Y292 HydrophobicContact CB-CE2 4.14Å; A210-Y292 WeakPolarHBondContact CB-OH 3.25Å; A210-Y292 PolarHBondContact N-OH 2.76Å
211	K	96.4	Very high	92.4	Very high	135 Å²	135	23.2 Å²	23.2	59%	0.587	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.7	45.1	-173.5	-58	177.1	-177.4	175.7	0	112.3	I207 N208 D209 K213 T243	I207-K211 WeakPolarHBondContact O-CA 3.22Å; I207-K211 PolarHBondContact O-N 2.79Å; N208-K211 PolarHBondContact O-N 2.84Å; N208-K211 VanDerWaalsContact O-N 3.14Å; D209-K211 PolarHBondContact O-N 2.93Å; K211-K213 PolarHBondContact O-N 2.96Å; K211-T243 HydrophobicContact CB-CG2 4.2Å
212	C	98.1	Very high	93.3	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.114	C	C	.	.			trans	-63	136.3	-174.9	-62.6	0	0	0	0	111	C166 A168 T192 I207 A210 T243	C166-C212 HydrophobicContact CB-CB 4.46Å; C166-C212 VanDerWaalsContact O-CA 3.3Å; C166-C212 WeakPolarHBondContact O-CA 3.28Å; A168-C212 HydrophobicContact CB-CB 4.08Å; T192-C212 VanDerWaalsContact CG2-SG 3.54Å; I207-C212 HydrophobicContact CG2-CB 4.16Å; I207-C212 PolarHBondContact O-N 2.84Å; A210-C212 WeakPolarHBondContact CB-SG 3.23Å; A210-C212 PolarHBondContact O-N 3.48Å; C212-T243 CarbonylContact O-C 3.33Å; C212-T243 WeakPolarHBondContact O-CB 3.28Å; C212-T243 PolarHBondContact O-OG1 2.96Å
213	K	97.8	Very high	94	Very high	59 Å²	59	24.4 Å²	24.4	26%	0.257	12%	0.124	S	C	.	.	S	Bend	trans	-89.3	-31.3	176.7	-71.5	-173.9	180	172.8	0	112.7	D165 C166 K211 Q245 R246	D165-K213 HydrophobicContact CB-CD 4.15Å; D165-K213 WeakPolarHBondContact OD1-CE 3.38Å; D165-K213 IonicContact OD1-NZ 2.71Å; D165-K213 PolarHBondContact OD1-NZ 2.88Å; D165-K213 WeakPolarHBondContact OD2-CD 3.47Å; D165-K213 IonicContact OD2-NZ 2.72Å; D165-K213 PolarHBondContact OD2-NZ 2.83Å; C166-K213 PolarHBondContact O-N 3.31Å; K211-K213 PolarHBondContact O-N 2.96Å; K213-Q245 PolarHBondContact O-N 3.25Å; K213-R246 PolarHBondContact O-N 3.41Å
214	V	98.8	Very high	94.3	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.006	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	140.4	-176.9	176.5	0	0	0	0	109.6	L156 V161 V167 A168 I216 R246 L248	L156-V214 HydrophobicContact CD2-CG1 4.09Å; V161-V214 HydrophobicContact CG2-CB 4.29Å; V161-V214 HydrophobicContact CG2-CG2 3.53Å; V167-V214 HydrophobicContact CG1-CB 4.31Å; V167-V214 HydrophobicContact CG1-CG1 4.39Å; A168-V214 PolarHBondContact N-O 3.32Å; V214-I216 HydrophobicContact CG1-CG1 4.25Å; V214-R246 WeakPolarHBondContact CA-O 3.48Å; V214-R246 HydrophobicContact CG2-CB 4.4Å; V214-L248 HydrophobicContact CG1-CD1 4.02Å; V214-L248 HydrophobicContact CG1-CG 3.85Å
215	V	98.8	Very high	94.6	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	130.2	168.3	-176	0	0	0	0	108.5	A168 I207 V234 V238 V244 R246 V247 L248	A168-V215 HydrophobicContact CB-CG1 4.47Å; A168-V215 HydrophobicContact CB-CG2 4.21Å; A168-V215 CarbonylContact O-C 3.59Å; A168-V215 WeakPolarHBondContact O-CA 3.5Å; I207-V215 HydrophobicContact CD1-CG2 3.75Å; I207-V215 HydrophobicContact CG1-CG2 4.47Å; V215-V234 HydrophobicContact CG1-CG1 4.04Å; V215-V234 HydrophobicContact CG1-CG2 4.38Å; V215-V238 HydrophobicContact CG2-CG1 4.26Å; V215-V244 HydrophobicContact CG2-CG1 4.02Å; V215-V244 HydrophobicContact CG2-CG2 3.94Å; V215-R246 PolarHBondContact N-O 2.99Å; V215-R246 VanDerWaalsContact N-O 3.09Å; V215-V247 HydrophobicContact CB-CG1 4.46Å; V215-V247 HydrophobicContact CB-CG2 4.38Å; V215-V247 CarbonylContact O-C 3.41Å; V215-V247 VanDerWaalsContact O-CA 3.31Å; V215-V247 WeakPolarHBondContact O-CA 3.39Å; V215-L248 PolarHBondContact O-N 3.08Å
216	I	98.9	Very high	94.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	127.6	172.7	-48.3	178.8	0	0	0	108.3	L156 V167 A168 Y170 M171 A180 V214 L248 L266	L156-I216 HydrophobicContact CD2-CD1 4.12Å; V167-I216 HydrophobicContact CG1-CD1 3.78Å; V167-I216 HydrophobicContact CG1-CG1 3.94Å; A168-I216 PolarHBondContact O-N 3.03Å; Y170-I216 PolarHBondContact N-O 2.85Å; M171-I216 HydrophobicContact CE-CB 4.17Å; M171-I216 HydrophobicContact CE-CG2 3.52Å; M171-I216 HydrophobicContact SD-CG2 4.02Å; A180-I216 HydrophobicContact CB-CD1 3.95Å; V214-I216 HydrophobicContact CG1-CG1 4.25Å; I216-L248 WeakPolarHBondContact CA-O 2.96Å; I216-L248 HydrophobicContact CG1-CB 4.32Å; I216-L248 HydrophobicContact CG1-CD1 4.23Å; I216-L248 HydrophobicContact CG2-CB 4.34Å; I216-L266 HydrophobicContact CG2-CD2 3.88Å
217	T	98.8	Very high	95.2	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	171.8	-179.6	-161.3	0	0	0	0	112	Y170 K231 V234 V247 L248 V249 A250	Y170-T217 WeakPolarHBondContact O-CA 3.41Å; Y170-T217 WeakPolarHBondContact O-CB 3.35Å; Y170-T217 PolarHBondContact O-OG1 3.17Å; T217-K231 HydrophobicContact CG2-CD 4.3Å; T217-V234 HydrophobicContact CG2-CB 4.43Å; T217-V234 HydrophobicContact CG2-CG1 4.5Å; T217-V234 HydrophobicContact CG2-CG2 3.95Å; T217-V247 HydrophobicContact CG2-CG1 4.3Å; T217-L248 PolarHBondContact N-O 3.21Å; T217-V249 HydrophobicContact CG2-CG2 4.43Å; T217-V249 WeakPolarHBondContact O-CA 3.44Å; T217-A250 PolarHBondContact O-N 3.12Å
218	F	98.4	Very high	94.8	Very high	9 Å²	9	38.9 Å²	38.9	4%	0.039	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	160.9	164.5	-72.8	-73.9	0	0	0	110.6	M171 P172 S174 L176 Q220 L230 A250 R252	M171-F218 HydrophobicContact CB-CD2 3.93Å; M171-F218 HydrophobicContact CB-CE2 3.95Å; M171-F218 HydrophobicContact CG-CD2 3.67Å; M171-F218 HydrophobicContact CG-CE2 3.91Å; M171-F218 HydrophobicContact CG-CG 4.48Å; M171-F218 HydrophobicContact SD-CD2 3.77Å; M171-F218 HydrophobicContact SD-CE2 3.55Å; M171-F218 VanDerWaalsContact SD-CE2 3.55Å; M171-F218 HydrophobicContact SD-CG 4.39Å; M171-F218 HydrophobicContact SD-CZ 4Å; P172-F218 HydrophobicContact CG-CD2 4.36Å; S174-F218 WeakPolarHBondContact OG-CE2 3.43Å; L176-F218 HydrophobicContact CB-CZ 4.04Å; L176-F218 HydrophobicContact CD2-CE1 3.81Å; L176-F218 HydrophobicContact CD2-CZ 4.01Å; F218-Q220 VanDerWaalsContact C-N 3.33Å; F218-Q220 WeakPolarHBondContact CB-O 3.31Å; F218-Q220 PolarHBondContact O-N 3.47Å; F218-L230 HydrophobicContact CB-CD1 4.12Å; F218-L230 WeakPolarHBondContact O-CB 3.41Å; F218-A250 CarbonylContact C-O 3.47Å; F218-A250 VanDerWaalsContact CA-O 3.27Å; F218-A250 WeakPolarHBondContact CA-O 3.39Å; F218-A250 HydrophobicContact CD1-CB 3.32Å; F218-A250 HydrophobicContact CE1-CB 3.5Å; F218-A250 HydrophobicContact CG-CB 4.22Å; F218-R252 HydrophobicContact CB-CB 4Å; F218-R252 HydrophobicContact CD1-CB 3.69Å; F218-R252 HydrophobicContact CE1-CB 4.3Å; F218-R252 HydrophobicContact CG-CB 3.88Å
219	N	97.2	Very high	94.7	Very high	4 Å²	4	40.1 Å²	40.1	2%	0.021	20%	0.197	C	C	.	.	S	Bend	trans	-54.4	-50.4	168.3	64.9	-24.6	0	0	0	111.2	K231 V249 A250 H251 R252 T253 N255 V257	N219-K231 WeakPolarHBondContact O-CB 3.32Å; N219-K231 PolarHBondContact O-N 3.3Å; N219-K231 VanDerWaalsContact O-N 3.16Å; N219-V249 HydrophobicContact CB-CG1 4.42Å; N219-A250 PolarHBondContact N-O 2.66Å; N219-H251 PolarHBondContact ND2-CD2 2.84Å; N219-R252 PolarHBondContact OD1-N 3.46Å; N219-T253 PolarHBondContact ND2-O 3.3Å; N219-T253 PolarHBondContact OD1-N 3.23Å; N219-N255 PolarHBondContact ND2-O 3.39Å; N219-V257 HydrophobicContact CB-CB 4.38Å; N219-V257 HydrophobicContact CB-CG1 3.82Å; N219-V257 HydrophobicContact CB-CG2 3.61Å
220	Q	96.9	Very high	94.8	Very high	8 Å²	8	37 Å²	37	4%	0.037	18%	0.18	C	C	.	.			trans	-144.2	160.5	175.8	-65.5	-177.4	-33.6	0	0	111.2	F218 V227 M228 E229 R252 T253 N255 V257	F218-Q220 VanDerWaalsContact C-N 3.33Å; F218-Q220 WeakPolarHBondContact CB-O 3.31Å; F218-Q220 PolarHBondContact O-N 3.47Å; Q220-V227 HydrophobicContact CB-CG1 4.04Å; Q220-V227 HydrophobicContact CG-CG1 4.08Å; Q220-M228 CarbonylContact C-O 3.23Å; Q220-M228 WeakPolarHBondContact CA-O 3.19Å; Q220-M228 WeakPolarHBondContact CB-O 3.39Å; Q220-E229 PolarHBondContact NE2-OE1 3.46Å; Q220-E229 PolarHBondContact NE2-OE2 2.85Å; Q220-R252 WeakPolarHBondContact O-CB 3.46Å; Q220-R252 WeakPolarHBondContact O-CG 3.15Å; Q220-T253 HydrophobicContact CB-CG2 3.97Å; Q220-T253 PolarHBondContact OE1-OG1 3.37Å; Q220-N255 PolarHBondContact OE1-ND2 3.1Å; Q220-V257 HydrophobicContact CG-CG1 4.46Å
221	G	92.9	Very high	94.9	Very high	1 Å²	1	37 Å²	37	1%	0.01	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	155.5	168.6	0	0	0	0	0	111.2	V227 M228	G221-V227 CarbonylContact O-C 3.55Å; G221-V227 WeakPolarHBondContact O-CA 3.46Å; G221-M228 PolarHBondContact N-O 3.46Å; G221-M228 PolarHBondContact O-N 3.39Å
222	L	94.1	Very high	94.9	Very high	41 Å²	41	37.8 Å²	37.8	22%	0.215	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	132.6	168.4	-68.9	-179.2	0	0	0	109.3	D132 R226 V227 T253 E360	D132-L222 HydrophobicContact CB-CB 4.22Å; L222-R226 WeakPolarHBondContact CA-O 3.42Å; L222-V227 HydrophobicContact CD2-CB 4.49Å; L222-V227 HydrophobicContact CD2-CG2 3.77Å; L222-T253 HydrophobicContact CD1-CG2 4.2Å; L222-T253 HydrophobicContact CD2-CG2 4.08Å; L222-T253 HydrophobicContact CG-CG2 3.93Å; L222-E360 WeakPolarHBondContact O-CG 3.46Å
223	R	89.6	Confident	94.6	Very high	73 Å²	73	39.9 Å²	39.9	28%	0.275	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	123.7	174.3	-171.8	167.1	-176.6	-168.9	-4.1	111.5	G225 R226 M228 T362	R223-G225 VanDerWaalsContact C-N 3.29Å; R223-G225 PolarHBondContact O-N 2.95Å; R223-R226 PolarHBondContact N-O 2.71Å; R223-R226 WeakPolarHBondContact O-CB 3.34Å; R223-R226 PolarHBondContact O-N 3.27Å; R223-R226 VanDerWaalsContact O-N 3.11Å; R223-M228 HydrophobicContact CB-SD 4.36Å; R223-T362 HydrophobicContact CG-CG2 3.9Å
224	G	91.1	Very high	94.6	Very high	17 Å²	17	37.1 Å²	37.1	18%	0.175	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	37	179.5	0	0	0	0	0	113.5	D132 R226	D132-G224 VanDerWaalsContact CG-N 3.31Å; D132-G224 PolarHBondContact OD1-N 3.2Å; D132-G224 PolarHBondContact OD2-N 2.94Å; D132-G224 VanDerWaalsContact OD2-N 3.16Å; G224-R226 PolarHBondContact O-N 2.91Å
225	G	91.9	Very high	94.5	Very high	42 Å²	42	38.8 Å²	38.8	43%	0.433	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.7	7.7	-175.8	0	0	0	0	0	114.4	D132 R223	D132-G225 PolarHBondContact OD2-N 3.13Å; R223-G225 VanDerWaalsContact C-N 3.29Å; R223-G225 PolarHBondContact O-N 2.95Å
226	R	89.3	Confident	94.3	Very high	196 Å²	196	42.8 Å²	42.8	74%	0.74	21%	0.211	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-109.4	141.8	-179.2	-59.4	-176.8	-175.9	-173.6	1.5	111.7	L222 R223 G224	L222-R226 WeakPolarHBondContact CA-O 3.42Å; R223-R226 PolarHBondContact N-O 2.71Å; R223-R226 WeakPolarHBondContact O-CB 3.34Å; R223-R226 PolarHBondContact O-N 3.27Å; R223-R226 VanDerWaalsContact O-N 3.11Å; G224-R226 PolarHBondContact O-N 2.91Å
227	V	92	Very high	94	Very high	69 Å²	69	42.9 Å²	42.9	42%	0.418	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	134.6	173.1	179.8	0	0	0	0	110.1	Q220 G221 L222	Q220-V227 HydrophobicContact CB-CG1 4.04Å; Q220-V227 HydrophobicContact CG-CG1 4.08Å; G221-V227 CarbonylContact O-C 3.55Å; G221-V227 WeakPolarHBondContact O-CA 3.46Å; L222-V227 HydrophobicContact CD2-CB 4.49Å; L222-V227 HydrophobicContact CD2-CG2 3.77Å
228	M	87.7	Confident	93.9	Very high	37 Å²	37	43.9 Å²	43.9	18%	0.182	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	122	173.4	-63.6	178.5	56.1	0	0	109.8	A196 Q220 G221 R223 L230	A196-M228 WeakPolarHBondContact O-CE 3.29Å; Q220-M228 CarbonylContact C-O 3.23Å; Q220-M228 WeakPolarHBondContact CA-O 3.19Å; Q220-M228 WeakPolarHBondContact CB-O 3.39Å; G221-M228 PolarHBondContact N-O 3.46Å; G221-M228 PolarHBondContact O-N 3.39Å; R223-M228 HydrophobicContact CB-SD 4.36Å; M228-L230 VanDerWaalsContact C-N 3.25Å; M228-L230 HydrophobicContact CB-CD2 4.3Å; M228-L230 HydrophobicContact CB-CG 4.44Å; M228-L230 HydrophobicContact CE-CD2 4.24Å; M228-L230 PolarHBondContact O-N 2.86Å
229	E	92.4	Very high	93.8	Very high	84 Å²	84	50.1 Å²	50.1	39%	0.393	24%	0.244	S	C	.	.			trans	-78.8	64.5	-176.8	-60.5	-61.3	157.8	0	0	112.7	Q220 K231 K232 I233	Q220-E229 PolarHBondContact NE2-OE1 3.46Å; Q220-E229 PolarHBondContact NE2-OE2 2.85Å; E229-K231 PolarHBondContact O-N 3.18Å; E229-K232 HydrophobicContact CB-CB 3.98Å; E229-K232 HydrophobicContact CB-CD 4.41Å; E229-K232 PolarHBondContact O-N 2.81Å; E229-I233 WeakPolarHBondContact O-CG1 3.13Å; E229-I233 PolarHBondContact O-N 3.3Å
230	L	94.9	Very high	93.7	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-58.7	-49.7	-172.9	-63.7	179.2	0	0	0	112.8	Y170 P172 A196 F218 M228 K232 I233 V234	Y170-L230 HydrophobicContact CD1-CD2 4.31Å; Y170-L230 HydrophobicContact CE1-CB 4.31Å; Y170-L230 HydrophobicContact CE1-CD2 3.66Å; P172-L230 HydrophobicContact CG-CD1 4.38Å; A196-L230 HydrophobicContact CB-CD2 3.98Å; A196-L230 WeakPolarHBondContact O-CD2 3.32Å; F218-L230 HydrophobicContact CB-CD1 4.12Å; F218-L230 WeakPolarHBondContact O-CB 3.41Å; M228-L230 VanDerWaalsContact C-N 3.25Å; M228-L230 HydrophobicContact CB-CD2 4.3Å; M228-L230 HydrophobicContact CB-CG 4.44Å; M228-L230 HydrophobicContact CE-CD2 4.24Å; M228-L230 PolarHBondContact O-N 2.86Å; L230-K232 VanDerWaalsContact C-N 3.29Å; L230-K232 PolarHBondContact O-N 2.79Å; L230-I233 WeakPolarHBondContact O-CB 3.24Å; L230-I233 PolarHBondContact O-N 3.18Å; L230-I233 VanDerWaalsContact O-N 3.08Å; L230-V234 WeakPolarHBondContact O-CG2 3.49Å; L230-V234 PolarHBondContact O-N 2.93Å
231	K	97.9	Very high	93.7	Very high	1 Å²	1	55.5 Å²	55.5	0%	0.004	27%	0.269	C	S	.	.	H	α-helix	trans	-61.1	-37.9	-179.6	-178.6	56	167.9	57.8	0	112.6	T217 N219 E229 I233 V234 D235 V249 V257 H258 D263	T217-K231 HydrophobicContact CG2-CD 4.3Å; N219-K231 WeakPolarHBondContact O-CB 3.32Å; N219-K231 PolarHBondContact O-N 3.3Å; N219-K231 VanDerWaalsContact O-N 3.16Å; E229-K231 PolarHBondContact O-N 3.18Å; K231-I233 VanDerWaalsContact C-N 3.31Å; K231-I233 PolarHBondContact O-N 3.06Å; K231-V234 PolarHBondContact O-N 2.76Å; K231-D235 IonicContact NZ-OD1 3.48Å; K231-D235 PolarHBondContact NZ-OD1 3.41Å; K231-D235 IonicContact NZ-OD2 3.92Å; K231-D235 PolarHBondContact NZ-OD2 2.79Å; K231-D235 VanDerWaalsContact O-CG 3.29Å; K231-D235 PolarHBondContact O-N 3.39Å; K231-V249 HydrophobicContact CD-CG1 4.17Å; K231-V249 HydrophobicContact CD-CG2 3.84Å; K231-V257 HydrophobicContact CB-CB 4.28Å; K231-V257 HydrophobicContact CB-CG1 4.33Å; K231-V257 HydrophobicContact CB-CG2 4.25Å; K231-V257 HydrophobicContact CG-CB 4.11Å; K231-V257 HydrophobicContact CG-CG2 3.93Å; K231-H258 PolarHBondContact NZ-O 3.07Å; K231-D263 WeakPolarHBondContact CE-OD1 3.14Å; K231-D263 WeakPolarHBondContact CE-OD2 3.35Å; K231-D263 VanDerWaalsContact NZ-CG 3.28Å; K231-D263 IonicContact NZ-OD1 2.77Å; K231-D263 PolarHBondContact NZ-OD1 3.12Å; K231-D263 IonicContact NZ-OD2 3.46Å; K231-D263 PolarHBondContact NZ-OD2 3.41Å
232	K	95.3	Very high	93.9	Very high	151 Å²	151	61.2 Å²	61.2	66%	0.657	31%	0.306	S	S	*	.	H	α-helix	trans	-62	-38.7	175.7	-175.2	-179.9	177.6	180	0	112.1	E229 L230 E236	E229-K232 HydrophobicContact CB-CB 3.98Å; E229-K232 HydrophobicContact CB-CD 4.41Å; E229-K232 PolarHBondContact O-N 2.81Å; L230-K232 VanDerWaalsContact C-N 3.29Å; L230-K232 PolarHBondContact O-N 2.79Å; K232-E236 PolarHBondContact O-N 2.9Å
233	I	91.3	Very high	94.1	Very high	45 Å²	45	61.4 Å²	61.4	23%	0.231	31%	0.309	C	S	.	.	H	α-helix	trans	-68.1	-42.1	176.6	-65.6	167.9	0	0	0	110.5	Y170 A200 L203 E229 L230 K231 E236 A237	Y170-I233 HydrophobicContact CE1-CB 4.26Å; Y170-I233 HydrophobicContact CE1-CG2 4.09Å; Y170-I233 WeakPolarHBondContact OH-CD1 3.41Å; A200-I233 HydrophobicContact CB-CG2 4.1Å; A200-I233 WeakPolarHBondContact CB-O 3.46Å; L203-I233 HydrophobicContact CD2-CG2 4.21Å; E229-I233 WeakPolarHBondContact O-CG1 3.13Å; E229-I233 PolarHBondContact O-N 3.3Å; L230-I233 WeakPolarHBondContact O-CB 3.24Å; L230-I233 PolarHBondContact O-N 3.18Å; L230-I233 VanDerWaalsContact O-N 3.08Å; K231-I233 VanDerWaalsContact C-N 3.31Å; K231-I233 PolarHBondContact O-N 3.06Å; I233-E236 PolarHBondContact O-N 3.47Å; I233-A237 WeakPolarHBondContact O-CB 3.5Å; I233-A237 PolarHBondContact O-N 3.45Å
234	V	98.1	Very high	94.5	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-61.9	-45.7	176.1	173.4	0	0	0	0	110.7	Y170 L203 V215 T217 L230 K231 E236 A237 V238 V247	Y170-V234 HydrophobicContact CD1-CG2 3.63Å; Y170-V234 HydrophobicContact CE1-CG2 4.26Å; Y170-V234 HydrophobicContact CG-CG2 4.39Å; L203-V234 HydrophobicContact CD2-CG2 3.91Å; V215-V234 HydrophobicContact CG1-CG1 4.04Å; V215-V234 HydrophobicContact CG1-CG2 4.38Å; T217-V234 HydrophobicContact CG2-CB 4.43Å; T217-V234 HydrophobicContact CG2-CG1 4.5Å; T217-V234 HydrophobicContact CG2-CG2 3.95Å; L230-V234 WeakPolarHBondContact O-CG2 3.49Å; L230-V234 PolarHBondContact O-N 2.93Å; K231-V234 PolarHBondContact O-N 2.76Å; V234-E236 VanDerWaalsContact C-N 3.27Å; V234-E236 PolarHBondContact O-N 3.16Å; V234-A237 PolarHBondContact O-N 3.34Å; V234-V238 HydrophobicContact CG1-CG1 3.9Å; V234-V238 WeakPolarHBondContact O-CG1 3.38Å; V234-V238 WeakPolarHBondContact O-CG2 3.46Å; V234-V238 PolarHBondContact O-N 3.27Å; V234-V247 HydrophobicContact CG1-CG1 3.74Å; V234-V247 HydrophobicContact CG1-CG2 4.36Å
235	D	97.9	Very high	94.8	Very high	36 Å²	36	62 Å²	62	19%	0.193	31%	0.311	C	S	.	.	H	α-helix	trans	-56.9	-40.6	177.7	-74.7	-18.6	0	0	0	112.8	K231 K239	K231-D235 IonicContact NZ-OD1 3.48Å; K231-D235 PolarHBondContact NZ-OD1 3.41Å; K231-D235 IonicContact NZ-OD2 3.92Å; K231-D235 PolarHBondContact NZ-OD2 2.79Å; K231-D235 VanDerWaalsContact O-CG 3.29Å; K231-D235 PolarHBondContact O-N 3.39Å; D235-K239 WeakPolarHBondContact O-CG 3.38Å
236	E	94.4	Very high	95.1	Very high	85 Å²	85	64.6 Å²	64.6	40%	0.397	31%	0.308	S	S	.	.	H	α-helix	trans	-71.1	-38.9	176.6	-171.5	58.5	-153.5	0	0	111.9	A200 K232 I233 V234 K239	A200-E236 HydrophobicContact CB-CB 3.67Å; A200-E236 HydrophobicContact CB-CG 3.72Å; K232-E236 PolarHBondContact O-N 2.9Å; I233-E236 PolarHBondContact O-N 3.47Å; V234-E236 VanDerWaalsContact C-N 3.27Å; V234-E236 PolarHBondContact O-N 3.16Å; E236-K239 IonicContact OE2-NZ 3.97Å; E236-K239 PolarHBondContact OE2-NZ 2.81Å
237	A	91.9	Very high	95.6	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.008	27%	0.273	C	S	.	.	H	α-helix	trans	-66.9	-47.7	179.7	0	0	0	0	0	112.3	A200 L203 A204 I233 V234 K239 H240 C241	A200-A237 HydrophobicContact CB-CB 4.26Å; A200-A237 WeakPolarHBondContact O-CB 3.33Å; L203-A237 HydrophobicContact CB-CB 4.09Å; L203-A237 HydrophobicContact CD2-CB 3.67Å; L203-A237 HydrophobicContact CG-CB 3.77Å; A204-A237 HydrophobicContact CB-CB 4.05Å; I233-A237 WeakPolarHBondContact O-CB 3.5Å; I233-A237 PolarHBondContact O-N 3.45Å; V234-A237 PolarHBondContact O-N 3.34Å; A237-K239 PolarHBondContact O-N 3.38Å; A237-H240 PolarHBondContact O-N 2.85Å; A237-C241 PolarHBondContact O-SG 3.19Å; A237-C241 VanDerWaalsContact O-SG 3.32Å
238	V	97.3	Very high	95.9	Very high	21 Å²	21	52 Å²	52	13%	0.127	25%	0.253	C	S	.	.	H	α-helix	trans	-68	-20.3	-171.4	-62.2	0	0	0	0	113.6	V215 V234 H240 C241 V244 V247	V215-V238 HydrophobicContact CG2-CG1 4.26Å; V234-V238 HydrophobicContact CG1-CG1 3.9Å; V234-V238 WeakPolarHBondContact O-CG1 3.38Å; V234-V238 WeakPolarHBondContact O-CG2 3.46Å; V234-V238 PolarHBondContact O-N 3.27Å; V238-H240 PolarHBondContact O-N 3.06Å; V238-H240 VanDerWaalsContact O-N 3.13Å; V238-C241 PolarHBondContact O-N 2.96Å; V238-V244 HydrophobicContact CG1-CG1 4.21Å; V238-V247 HydrophobicContact CG1-CG2 4.05Å
239	K	96.4	Very high	96.4	Very high	141 Å²	141	50.5 Å²	50.5	61%	0.613	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-28.2	168.9	-69.8	169.1	-170.5	174.7	0	112.8	D235 E236 A237	D235-K239 WeakPolarHBondContact O-CG 3.38Å; E236-K239 IonicContact OE2-NZ 3.97Å; E236-K239 PolarHBondContact OE2-NZ 2.81Å; A237-K239 PolarHBondContact O-N 3.38Å
240	H	93.9	Very high	96.7	Very high	120 Å²	120	46.6 Å²	46.6	56%	0.556	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.9	13.4	-179.1	-58.5	-65	0	0	0	112.8	A204 N208 A237 V238	A204-H240 HydrophobicContact CB-CB 4.47Å; N208-H240 PolarHBondContact ND2-O 2.62Å; N208-H240 PolarHBondContact OD1-O 3.33Å; A237-H240 PolarHBondContact O-N 2.85Å; V238-H240 PolarHBondContact O-N 3.06Å; V238-H240 VanDerWaalsContact O-N 3.13Å
241	C	97.1	Very high	96.7	Very high	4 Å²	4	51.4 Å²	51.4	3%	0.027	25%	0.25	C	S	.	.			trans	-124.1	81.7	-175.1	-61.1	0	0	0	0	112.1	I207 N208 A237 V238 T243 V244	I207-C241 HydrophobicContact CG2-CB 3.57Å; I207-C241 WeakPolarHBondContact CG2-SG 3.4Å; N208-C241 VanDerWaalsContact OD1-CA 3.3Å; N208-C241 WeakPolarHBondContact OD1-CA 3.49Å; A237-C241 PolarHBondContact O-SG 3.19Å; A237-C241 VanDerWaalsContact O-SG 3.32Å; V238-C241 PolarHBondContact O-N 2.96Å; C241-T243 PolarHBondContact O-N 3.3Å; C241-T243 VanDerWaalsContact O-N 3.1Å; C241-V244 HydrophobicContact CB-CB 4.41Å; C241-V244 HydrophobicContact CB-CG2 3.7Å; C241-V244 PolarHBondContact O-N 2.85Å; C241-V244 VanDerWaalsContact O-N 3.1Å
242	P	97.2	Very high	96.6	Very high	122 Å²	122	53.1 Å²	53.1	79%	0.792	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-15.3	-173.7	28.6	-36.4	0	0	0	113.9	V244	P242-V244 VanDerWaalsContact C-N 3.35Å
243	T	97.6	Very high	96.6	Very high	45 Å²	45	46.7 Å²	46.7	28%	0.276	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-19.1	177.2	60.3	0	0	0	0	112.9	K211 C212 C241 Q245	K211-T243 HydrophobicContact CB-CG2 4.2Å; C212-T243 CarbonylContact O-C 3.33Å; C212-T243 WeakPolarHBondContact O-CB 3.28Å; C212-T243 PolarHBondContact O-OG1 2.96Å; C241-T243 PolarHBondContact O-N 3.3Å; C241-T243 VanDerWaalsContact O-N 3.1Å; T243-Q245 PolarHBondContact O-N 3.23Å
244	V	98.4	Very high	96.8	Very high	10 Å²	10	51.6 Å²	51.6	6%	0.061	26%	0.257	C	S	.	.			trans	-74	120.7	-177.1	176.7	0	0	0	0	109.6	I207 V215 V238 C241 P242 V247	I207-V244 HydrophobicContact CG2-CG2 3.51Å; V215-V244 HydrophobicContact CG2-CG1 4.02Å; V215-V244 HydrophobicContact CG2-CG2 3.94Å; V238-V244 HydrophobicContact CG1-CG1 4.21Å; C241-V244 HydrophobicContact CB-CB 4.41Å; C241-V244 HydrophobicContact CB-CG2 3.7Å; C241-V244 PolarHBondContact O-N 2.85Å; C241-V244 VanDerWaalsContact O-N 3.1Å; P242-V244 VanDerWaalsContact C-N 3.35Å; V244-V247 HydrophobicContact CG1-CG2 4.07Å
245	Q	98.1	Very high	96.5	Very high	92 Å²	92	55.6 Å²	55.6	43%	0.43	28%	0.278	S	S	.	.			trans	-101.5	-31.8	-179.2	-59	-179.1	4.4	0	0	111.9	K213 T243 L262	K213-Q245 PolarHBondContact O-N 3.25Å; T243-Q245 PolarHBondContact O-N 3.23Å; Q245-L262 WeakPolarHBondContact O-CD2 3.46Å
246	R	98.4	Very high	96.2	Very high	96 Å²	96	63.8 Å²	63.8	36%	0.362	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	146.8	-179.2	-63	-65.5	-179.5	-102.4	3.7	111.2	H159 K213 V214 V215 L262	H159-R246 HydrophobicContact CB-CG 4.26Å; K213-R246 PolarHBondContact O-N 3.41Å; V214-R246 WeakPolarHBondContact CA-O 3.48Å; V214-R246 HydrophobicContact CG2-CB 4.4Å; V215-R246 PolarHBondContact N-O 2.99Å; V215-R246 VanDerWaalsContact N-O 3.09Å; R246-L262 WeakPolarHBondContact CA-O 3.32Å
247	V	98.8	Very high	96.2	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	112.3	170.7	-179.6	0	0	0	0	107.7	V215 T217 V234 V238 V244 V249 L262 D263 I264	V215-V247 HydrophobicContact CB-CG1 4.46Å; V215-V247 HydrophobicContact CB-CG2 4.38Å; V215-V247 CarbonylContact O-C 3.41Å; V215-V247 VanDerWaalsContact O-CA 3.31Å; V215-V247 WeakPolarHBondContact O-CA 3.39Å; T217-V247 HydrophobicContact CG2-CG1 4.3Å; V234-V247 HydrophobicContact CG1-CG1 3.74Å; V234-V247 HydrophobicContact CG1-CG2 4.36Å; V238-V247 HydrophobicContact CG1-CG2 4.05Å; V244-V247 HydrophobicContact CG1-CG2 4.07Å; V247-V249 HydrophobicContact CG1-CG2 3.9Å; V247-L262 HydrophobicContact CG2-CB 4.35Å; V247-L262 PolarHBondContact N-O 2.76Å; V247-D263 VanDerWaalsContact CB-OD1 3.25Å; V247-D263 WeakPolarHBondContact CB-OD1 3.29Å; V247-D263 CarbonylContact O-C 3.38Å; V247-D263 WeakPolarHBondContact O-CA 3.19Å; V247-I264 PolarHBondContact O-N 3.16Å
248	L	98.8	Very high	96.4	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	113.9	177.7	-55	-172.8	0	0	0	108.7	T155 L156 V214 V215 I216 T217 I264 L266	T155-L248 HydrophobicContact CG2-CD1 4.45Å; L156-L248 HydrophobicContact CD2-CD1 3.73Å; V214-L248 HydrophobicContact CG1-CD1 4.02Å; V214-L248 HydrophobicContact CG1-CG 3.85Å; V215-L248 PolarHBondContact O-N 3.08Å; I216-L248 WeakPolarHBondContact CA-O 2.96Å; I216-L248 HydrophobicContact CG1-CB 4.32Å; I216-L248 HydrophobicContact CG1-CD1 4.23Å; I216-L248 HydrophobicContact CG2-CB 4.34Å; T217-L248 PolarHBondContact N-O 3.21Å; L248-I264 HydrophobicContact CD2-CB 3.65Å; L248-I264 HydrophobicContact CD2-CG1 4.04Å; L248-I264 HydrophobicContact CD2-CG2 3.91Å; L248-L266 HydrophobicContact CB-CB 4.38Å; L248-L266 HydrophobicContact CB-CD1 4.07Å; L248-L266 HydrophobicContact CB-CD2 4.18Å; L248-L266 HydrophobicContact CB-CG 4.45Å; L248-L266 HydrophobicContact CD1-CD1 3.94Å; L248-L266 HydrophobicContact CG-CD1 4.45Å
249	V	98.7	Very high	96.4	Very high	7 Å²	7	70.9 Å²	70.9	4%	0.042	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	113	-173.1	-170.3	0	0	0	0	109.5	T217 N219 K231 V247 M259 D263 I264 L266	T217-V249 HydrophobicContact CG2-CG2 4.43Å; T217-V249 WeakPolarHBondContact O-CA 3.44Å; N219-V249 HydrophobicContact CB-CG1 4.42Å; K231-V249 HydrophobicContact CD-CG1 4.17Å; K231-V249 HydrophobicContact CD-CG2 3.84Å; V247-V249 HydrophobicContact CG1-CG2 3.9Å; V249-M259 HydrophobicContact CB-CE 3.97Å; V249-M259 HydrophobicContact CB-SD 4.08Å; V249-M259 HydrophobicContact CG1-SD 4.14Å; V249-M259 HydrophobicContact CG2-CE 3.97Å; V249-M259 HydrophobicContact CG2-SD 4.01Å; V249-D263 HydrophobicContact CG2-CB 4.14Å; V249-I264 PolarHBondContact N-O 3.12Å; V249-L266 PolarHBondContact O-N 3.47Å
250	A	98.2	Very high	96.3	Very high	2 Å²	2	65.4 Å²	65.4	2%	0.017	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	160.6	174.4	0	0	0	0	0	112.3	L176 T217 F218 N219 L266 E267	L176-A250 HydrophobicContact CD2-CB 3.31Å; T217-A250 PolarHBondContact O-N 3.12Å; F218-A250 CarbonylContact C-O 3.47Å; F218-A250 VanDerWaalsContact CA-O 3.27Å; F218-A250 WeakPolarHBondContact CA-O 3.39Å; F218-A250 HydrophobicContact CD1-CB 3.32Å; F218-A250 HydrophobicContact CE1-CB 3.5Å; F218-A250 HydrophobicContact CG-CB 4.22Å; N219-A250 PolarHBondContact N-O 2.66Å; A250-L266 HydrophobicContact CB-CB 4.34Å; A250-L266 HydrophobicContact CB-CD2 4.26Å; A250-E267 WeakPolarHBondContact CA-OE1 3.14Å; A250-E267 WeakPolarHBondContact CA-OE2 3.37Å; A250-E267 WeakPolarHBondContact CB-OE1 3.2Å
251	H	95.6	Very high	96.4	Very high	100 Å²	100	67.8 Å²	67.8	46%	0.463	35%	0.348	S	S	.	.			trans	-104.5	113.6	-176.3	-168.9	-106.2	0	0	0	111.7	N219 T253 D254 E267	N219-H251 PolarHBondContact ND2-CD2 2.84Å; H251-T253 PolarHBondContact CD2-O 3.31Å; H251-T253 VanDerWaalsContact CD2-O 3.3Å; H251-T253 PolarHBondContact CE1-O 3.13Å; H251-T253 PolarHBondContact NE2-O 3.05Å; H251-D254 IonicContact CE1-OD1 2.62Å; H251-D254 PolarHBondContact CE1-OD1 2.9Å; H251-E267 PolarHBondContact N-OE1 3.44Å; H251-E267 PolarHBondContact N-OE2 2.93Å
252	R	95.9	Very high	96.4	Very high	38 Å²	38	70.7 Å²	70.7	14%	0.143	36%	0.363	C	S	.	.	S	Bend	trans	-109.6	-34.6	177.6	177.8	61.8	-170.3	84.4	-5	113.5	F218 N219 Q220 E360	F218-R252 HydrophobicContact CB-CB 4Å; F218-R252 HydrophobicContact CD1-CB 3.69Å; F218-R252 HydrophobicContact CE1-CB 4.3Å; F218-R252 HydrophobicContact CG-CB 3.88Å; N219-R252 PolarHBondContact OD1-N 3.46Å; Q220-R252 WeakPolarHBondContact O-CB 3.46Å; Q220-R252 WeakPolarHBondContact O-CG 3.15Å; R252-E360 IonicContact CZ-OE1 3.43Å; R252-E360 IonicContact CZ-OE2 2.9Å; R252-E360 IonicContact NE-OE1 3.17Å; R252-E360 PolarHBondContact NE-OE1 3.08Å; R252-E360 IonicContact NE-OE2 3.48Å; R252-E360 VanDerWaalsContact NH2-CD 3.34Å; R252-E360 IonicContact NH2-OE1 2.74Å; R252-E360 PolarHBondContact NH2-OE1 2.98Å; R252-E360 IonicContact NH2-OE2 3.21Å; R252-E360 PolarHBondContact NH2-OE2 3.31Å
253	T	95.3	Very high	96.5	Very high	16 Å²	16	65.7 Å²	65.7	10%	0.098	33%	0.329	C	S	.	.	S	Bend	trans	-125.2	157	177.2	68.9	0	0	0	0	109.8	N219 Q220 L222 H251 N255	N219-T253 PolarHBondContact ND2-O 3.3Å; N219-T253 PolarHBondContact OD1-N 3.23Å; Q220-T253 HydrophobicContact CB-CG2 3.97Å; Q220-T253 PolarHBondContact OE1-OG1 3.37Å; L222-T253 HydrophobicContact CD1-CG2 4.2Å; L222-T253 HydrophobicContact CD2-CG2 4.08Å; L222-T253 HydrophobicContact CG-CG2 3.93Å; H251-T253 PolarHBondContact CD2-O 3.31Å; H251-T253 VanDerWaalsContact CD2-O 3.3Å; H251-T253 PolarHBondContact CE1-O 3.13Å; H251-T253 PolarHBondContact NE2-O 3.05Å; T253-N255 PolarHBondContact O-N 3.29Å; T253-N255 VanDerWaalsContact O-N 3.12Å
254	D	94.3	Very high	96.5	Very high	147 Å²	147	64.8 Å²	64.8	79%	0.786	32%	0.322	S	S	*	.	S	Bend	trans	-73	1.2	178.3	-62.6	-36.6	0	0	0	114	H251 K256	H251-D254 IonicContact CE1-OD1 2.62Å; H251-D254 PolarHBondContact CE1-OD1 2.9Å; D254-K256 PolarHBondContact O-N 3Å
255	N	92.6	Very high	96.5	Very high	84 Å²	84	66.2 Å²	66.2	45%	0.449	33%	0.332	S	S	.	.			trans	-72.5	129.3	178.5	-70.7	-32.7	0	0	0	110.5	N219 Q220 T253	N219-N255 PolarHBondContact ND2-O 3.39Å; Q220-N255 PolarHBondContact OE1-ND2 3.1Å; T253-N255 PolarHBondContact O-N 3.29Å; T253-N255 VanDerWaalsContact O-N 3.12Å
256	K	91.3	Very high	96.5	Very high	209 Å²	209	61.8 Å²	61.8	91%	0.909	31%	0.311	S	S	*	.			trans	-73.1	135.3	174.9	-63.8	-175.4	179.9	-177.9	0	109.9	D254	D254-K256 PolarHBondContact O-N 3Å
257	V	95.3	Very high	96.4	Very high	41 Å²	41	61 Å²	61	25%	0.248	31%	0.312	C	S	.	.			trans	-117.7	159.1	173.9	-64.9	0	0	0	0	109.9	N219 Q220 K231 M259	N219-V257 HydrophobicContact CB-CB 4.38Å; N219-V257 HydrophobicContact CB-CG1 3.82Å; N219-V257 HydrophobicContact CB-CG2 3.61Å; Q220-V257 HydrophobicContact CG-CG1 4.46Å; K231-V257 HydrophobicContact CB-CB 4.28Å; K231-V257 HydrophobicContact CB-CG1 4.33Å; K231-V257 HydrophobicContact CB-CG2 4.25Å; K231-V257 HydrophobicContact CG-CB 4.11Å; K231-V257 HydrophobicContact CG-CG2 3.93Å; V257-M259 HydrophobicContact CG2-SD 4.42Å
258	H	95.6	Very high	96.3	Very high	136 Å²	136	67.1 Å²	67.1	63%	0.63	34%	0.34	S	S	*	.			trans	-67.3	133.4	173.3	177.5	66.4	0	0	0	110.3	K231	K231-H258 PolarHBondContact NZ-O 3.07Å
259	M	97.4	Very high	96.3	Very high	78 Å²	78	68.6 Å²	68.6	38%	0.384	35%	0.347	S	S	.	.			trans	-116.5	112.3	173.4	-61.6	-67	-73.9	0	0	107.6	V249 V257 D263	V249-M259 HydrophobicContact CB-CE 3.97Å; V249-M259 HydrophobicContact CB-SD 4.08Å; V249-M259 HydrophobicContact CG1-SD 4.14Å; V249-M259 HydrophobicContact CG2-CE 3.97Å; V249-M259 HydrophobicContact CG2-SD 4.01Å; V257-M259 HydrophobicContact CG2-SD 4.42Å; M259-D263 WeakPolarHBondContact CA-OD2 3.5Å; M259-D263 HydrophobicContact CB-CB 4.3Å; M259-D263 HydrophobicContact CE-CB 3.51Å; M259-D263 HydrophobicContact SD-CB 4.01Å
260	G	95	Very high	96.3	Very high	27 Å²	27	69 Å²	69	28%	0.278	35%	0.349	S	S	.	.			trans	-94.5	-172.6	174.3	0	0	0	0	0	112.6	L262 D263	G260-L262 VanDerWaalsContact C-N 3.28Å; G260-L262 PolarHBondContact O-N 3.12Å; G260-D263 PolarHBondContact N-OD2 2.86Å; G260-D263 WeakPolarHBondContact O-CB 3.45Å; G260-D263 PolarHBondContact O-N 3.41Å
261	D	95.3	Very high	96.2	Very high	170 Å²	170	72.5 Å²	72.5	91%	0.909	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-25.3	-168.9	-60.3	-28	0	0	0	114.7
262	L	96.8	Very high	96.4	Very high	64 Å²	64	73.5 Å²	73.5	34%	0.335	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-14.6	177	-59.4	-179.6	0	0	0	112.6	Q245 R246 V247 G260	Q245-L262 WeakPolarHBondContact O-CD2 3.46Å; R246-L262 WeakPolarHBondContact CA-O 3.32Å; V247-L262 HydrophobicContact CG2-CB 4.35Å; V247-L262 PolarHBondContact N-O 2.76Å; G260-L262 VanDerWaalsContact C-N 3.28Å; G260-L262 PolarHBondContact O-N 3.12Å
263	D	98.4	Very high	96.5	Very high	17 Å²	17	72.6 Å²	72.6	9%	0.091	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	135.8	-167.3	-60.5	-42.2	0	0	0	112.4	K231 V247 V249 M259 G260	K231-D263 WeakPolarHBondContact CE-OD1 3.14Å; K231-D263 WeakPolarHBondContact CE-OD2 3.35Å; K231-D263 VanDerWaalsContact NZ-CG 3.28Å; K231-D263 IonicContact NZ-OD1 2.77Å; K231-D263 PolarHBondContact NZ-OD1 3.12Å; K231-D263 IonicContact NZ-OD2 3.46Å; K231-D263 PolarHBondContact NZ-OD2 3.41Å; V247-D263 VanDerWaalsContact CB-OD1 3.25Å; V247-D263 WeakPolarHBondContact CB-OD1 3.29Å; V247-D263 CarbonylContact O-C 3.38Å; V247-D263 WeakPolarHBondContact O-CA 3.19Å; V249-D263 HydrophobicContact CG2-CB 4.14Å; M259-D263 WeakPolarHBondContact CA-OD2 3.5Å; M259-D263 HydrophobicContact CB-CB 4.3Å; M259-D263 HydrophobicContact CE-CB 3.51Å; M259-D263 HydrophobicContact SD-CB 4.01Å; G260-D263 PolarHBondContact N-OD2 2.86Å; G260-D263 WeakPolarHBondContact O-CB 3.45Å; G260-D263 PolarHBondContact O-N 3.41Å
264	I	98.3	Very high	96.6	Very high	26 Å²	26	77.5 Å²	77.5	13%	0.133	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	126.4	-178.7	-58.2	-62.7	0	0	0	108.9	V247 L248 V249 L266 E269	V247-I264 PolarHBondContact O-N 3.16Å; L248-I264 HydrophobicContact CD2-CB 3.65Å; L248-I264 HydrophobicContact CD2-CG1 4.04Å; L248-I264 HydrophobicContact CD2-CG2 3.91Å; V249-I264 PolarHBondContact N-O 3.12Å; I264-L266 PolarHBondContact O-N 2.89Å; I264-L266 VanDerWaalsContact O-N 3.1Å; I264-E269 HydrophobicContact CG2-CB 4.19Å; I264-E269 HydrophobicContact CG2-CG 3.24Å
265	P	97.8	Very high	96.8	Very high	40 Å²	40	72.5 Å²	72.5	26%	0.26	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	104.3	175.7	29	-33	0	0	0	110.3	E267 Q268 E269	P265-E267 PolarHBondContact O-N 3.28Å; P265-Q268 HydrophobicContact CB-CB 4.25Å; P265-Q268 HydrophobicContact CB-CG 4.19Å; P265-Q268 HydrophobicContact CG-CB 4.16Å; P265-Q268 HydrophobicContact CG-CG 4.45Å; P265-Q268 PolarHBondContact O-N 3.1Å; P265-E269 PolarHBondContact O-N 3.12Å; P265-E269 VanDerWaalsContact O-N 3.16Å
266	L	98.2	Very high	97.1	Very high	0 Å²	0	73.7 Å²	73.7	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-62.7	-47.9	-163.2	-178.8	50.9	0	0	0	113.2	L152 T155 L176 I216 L248 V249 A250 I264 Q268 E269 M270	L152-L266 HydrophobicContact CD1-CD1 3.77Å; L152-L266 HydrophobicContact CD1-CD2 4.12Å; L152-L266 HydrophobicContact CD1-CG 4.47Å; T155-L266 HydrophobicContact CG2-CD1 4.05Å; L176-L266 HydrophobicContact CD1-CD2 4.49Å; L176-L266 HydrophobicContact CD2-CD2 4.08Å; I216-L266 HydrophobicContact CG2-CD2 3.88Å; L248-L266 HydrophobicContact CB-CB 4.38Å; L248-L266 HydrophobicContact CB-CD1 4.07Å; L248-L266 HydrophobicContact CB-CD2 4.18Å; L248-L266 HydrophobicContact CB-CG 4.45Å; L248-L266 HydrophobicContact CD1-CD1 3.94Å; L248-L266 HydrophobicContact CG-CD1 4.45Å; V249-L266 PolarHBondContact O-N 3.47Å; A250-L266 HydrophobicContact CB-CB 4.34Å; A250-L266 HydrophobicContact CB-CD2 4.26Å; I264-L266 PolarHBondContact O-N 2.89Å; I264-L266 VanDerWaalsContact O-N 3.1Å; L266-Q268 VanDerWaalsContact C-N 3.27Å; L266-Q268 PolarHBondContact O-N 3.22Å; L266-E269 PolarHBondContact O-N 3.33Å; L266-M270 HydrophobicContact CD1-CG 3.76Å; L266-M270 HydrophobicContact CD1-SD 3.77Å; L266-M270 HydrophobicContact CD2-SD 4.31Å; L266-M270 HydrophobicContact CG-CG 4.25Å; L266-M270 HydrophobicContact CG-SD 3.72Å; L266-M270 WeakPolarHBondContact O-CB 3.31Å; L266-M270 WeakPolarHBondContact O-CG 3.06Å; L266-M270 PolarHBondContact O-N 2.85Å
267	E	97	Very high	97.4	Very high	80 Å²	80	63.9 Å²	63.9	37%	0.374	35%	0.347	S	S	.	.	H	α-helix	trans	-62.7	-36	-178.5	-65.4	83.2	174.5	0	0	112.2	A250 H251 P265 A271	A250-E267 WeakPolarHBondContact CA-OE1 3.14Å; A250-E267 WeakPolarHBondContact CA-OE2 3.37Å; A250-E267 WeakPolarHBondContact CB-OE1 3.2Å; H251-E267 PolarHBondContact N-OE1 3.44Å; H251-E267 PolarHBondContact N-OE2 2.93Å; P265-E267 PolarHBondContact O-N 3.28Å; E267-A271 WeakPolarHBondContact O-CB 3.36Å; E267-A271 PolarHBondContact O-N 2.7Å
268	Q	97.3	Very high	97.5	Very high	128 Å²	128	65.3 Å²	65.3	60%	0.598	36%	0.363	S	S	*	.	H	α-helix	trans	-69.4	-38.7	179.6	-62.3	178.4	22.1	0	0	111.4	P265 L266	P265-Q268 HydrophobicContact CB-CB 4.25Å; P265-Q268 HydrophobicContact CB-CG 4.19Å; P265-Q268 HydrophobicContact CG-CB 4.16Å; P265-Q268 HydrophobicContact CG-CG 4.45Å; P265-Q268 PolarHBondContact O-N 3.1Å; L266-Q268 VanDerWaalsContact C-N 3.27Å; L266-Q268 PolarHBondContact O-N 3.22Å
269	E	97.7	Very high	97.7	Very high	30 Å²	30	61.4 Å²	61.4	14%	0.14	35%	0.35	C	S	.	.	H	α-helix	trans	-71.9	-43.6	174.6	-68.2	-46.8	129.5	0	0	112	T155 I264 P265 L266 A271 K272	T155-E269 HydrophobicContact CG2-CB 4.05Å; I264-E269 HydrophobicContact CG2-CB 4.19Å; I264-E269 HydrophobicContact CG2-CG 3.24Å; P265-E269 PolarHBondContact O-N 3.12Å; P265-E269 VanDerWaalsContact O-N 3.16Å; L266-E269 PolarHBondContact O-N 3.33Å; E269-A271 PolarHBondContact O-N 2.6Å; E269-K272 WeakPolarHBondContact O-CB 3.32Å; E269-K272 PolarHBondContact O-N 3.4Å; E269-K272 IonicContact OE1-NZ 3.68Å; E269-K272 PolarHBondContact OE1-NZ 2.71Å; E269-K272 IonicContact OE2-NZ 3.03Å; E269-K272 PolarHBondContact OE2-NZ 2.85Å
270	M	98.2	Very high	97.7	Very high	17 Å²	17	60.9 Å²	60.9	8%	0.084	35%	0.346	C	S	.	.	H	α-helix	trans	-59.4	-34.2	177	-76.5	178.1	63.7	0	0	112.8	T148 R151 L152 T155 L176 L266 K272 E273	T148-M270 HydrophobicContact CG2-CE 3.8Å; T148-M270 WeakPolarHBondContact O-CE 3.42Å; R151-M270 HydrophobicContact CB-CB 4.28Å; R151-M270 HydrophobicContact CB-CE 4.02Å; L152-M270 HydrophobicContact CB-CE 3.88Å; L152-M270 HydrophobicContact CB-SD 4.13Å; L152-M270 HydrophobicContact CD1-CG 4.49Å; L152-M270 HydrophobicContact CD1-SD 3.99Å; T155-M270 WeakPolarHBondContact OG1-CG 3.29Å; L176-M270 HydrophobicContact CD1-CE 4.36Å; L176-M270 HydrophobicContact CD1-SD 4.17Å; L266-M270 HydrophobicContact CD1-CG 3.76Å; L266-M270 HydrophobicContact CD1-SD 3.77Å; L266-M270 HydrophobicContact CD2-SD 4.31Å; L266-M270 HydrophobicContact CG-CG 4.25Å; L266-M270 HydrophobicContact CG-SD 3.72Å; L266-M270 WeakPolarHBondContact O-CB 3.31Å; L266-M270 WeakPolarHBondContact O-CG 3.06Å; L266-M270 PolarHBondContact O-N 2.85Å; M270-K272 PolarHBondContact O-N 3.12Å; M270-E273 PolarHBondContact O-N 3.42Å; M270-E273 VanDerWaalsContact O-N 3.15Å
271	A	97.8	Very high	97.9	Very high	74 Å²	74	61.5 Å²	61.5	61%	0.612	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-20.4	176.7	0	0	0	0	0	113.3	E267 E269	E267-A271 WeakPolarHBondContact O-CB 3.36Å; E267-A271 PolarHBondContact O-N 2.7Å; E269-A271 PolarHBondContact O-N 2.6Å
272	K	98.2	Very high	98.1	Very high	121 Å²	121	53.6 Å²	53.6	53%	0.526	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-7.5	178.1	-55.4	171.4	-164.9	167.8	0	113.5	E269 M270	E269-K272 WeakPolarHBondContact O-CB 3.32Å; E269-K272 PolarHBondContact O-N 3.4Å; E269-K272 IonicContact OE1-NZ 3.68Å; E269-K272 PolarHBondContact OE1-NZ 2.71Å; E269-K272 IonicContact OE2-NZ 3.03Å; E269-K272 PolarHBondContact OE2-NZ 2.85Å; M270-K272 PolarHBondContact O-N 3.12Å
273	E	98.4	Very high	98.2	Very high	20 Å²	20	51.3 Å²	51.3	9%	0.093	30%	0.296	C	S	.	.	S	Bend	trans	-98.2	153	-178.3	-61.3	-61.9	175	0	0	111.9	R151 N154 T155 R158 M270	R151-E273 HydrophobicContact CB-CB 4.34Å; R151-E273 HydrophobicContact CG-CB 4.48Å; R151-E273 PolarHBondContact NH1-O 3.48Å; N154-E273 HydrophobicContact CB-CB 3.81Å; N154-E273 HydrophobicContact CB-CG 3.87Å; T155-E273 WeakPolarHBondContact OG1-CG 3.42Å; R158-E273 VanDerWaalsContact CD-OE1 3.3Å; R158-E273 WeakPolarHBondContact CD-OE1 3.04Å; R158-E273 IonicContact CZ-OE1 3.48Å; R158-E273 IonicContact CZ-OE2 3.55Å; R158-E273 IonicContact NE-OE1 2.63Å; R158-E273 PolarHBondContact NE-OE1 3.31Å; R158-E273 IonicContact NE-OE2 2.88Å; R158-E273 IonicContact NH1-OE1 2.85Å; R158-E273 PolarHBondContact NH1-OE1 2.82Å; R158-E273 IonicContact NH2-OE1 3.48Å; R158-E273 PolarHBondContact NH2-OE1 2.87Å; R158-E273 IonicContact NH2-OE2 3.44Å; R158-E273 PolarHBondContact NH2-OE2 2.98Å; M270-E273 PolarHBondContact O-N 3.42Å; M270-E273 VanDerWaalsContact O-N 3.15Å
274	D	97.9	Very high	98.2	Very high	118 Å²	118	50.7 Å²	50.7	63%	0.631	29%	0.293	S	S	*	.			trans	-67.9	147.5	174.3	-74	-45.4	0	0	0	112.3	R151 N154 V276	R151-D274 WeakPolarHBondContact CG-O 3.4Å; N154-D274 PolarHBondContact ND2-O 3Å; D274-V276 PolarHBondContact O-N 3.31Å
275	P	98.1	Very high	98.2	Very high	42 Å²	42	51.9 Å²	51.9	27%	0.273	30%	0.298	S	S	.	.	S	Bend	trans	-72.1	9.3	173.3	31.7	-34.2	0	0	0	113.7	E147 C150	E147-P275 HydrophobicContact CB-CB 3.99Å; E147-P275 HydrophobicContact CG-CB 3.93Å; C150-P275 VanDerWaalsContact CB-C 3.41Å; C150-P275 WeakPolarHBondContact CB-O 3.37Å
276	V	98.3	Very high	98.2	Very high	109 Å²	109	52.1 Å²	52.1	66%	0.661	30%	0.297	S	S	*	.			trans	-124.8	126.8	179.5	-177.6	0	0	0	0	108.8	N154 D274	N154-V276 PolarHBondContact ND2-O 2.81Å; D274-V276 PolarHBondContact O-N 3.31Å
277	C	98.6	Very high	98.3	Very high	3 Å²	3	54.4 Å²	54.4	2%	0.02	31%	0.311	C	S	.	.			trans	-129.9	126.9	170.4	175.4	0	0	0	0	107.4	C150 A153 N154 R186	C150-C277 HydrophobicContact CB-CB 3.95Å; C150-C277 PolarHBondContact SG-N 3.32Å; C150-C277 VanDerWaalsContact SG-N 3.38Å; A153-C277 HydrophobicContact CB-CB 4.08Å; N154-C277 WeakPolarHBondContact OD1-CB 3.47Å; R186-C277 VanDerWaalsContact CZ-O 3.22Å; R186-C277 PolarHBondContact NE-O 3.35Å; R186-C277 PolarHBondContact NH2-O 3.16Å
278	A	98.3	Very high	98.3	Very high	72 Å²	72	50.6 Å²	50.6	60%	0.595	29%	0.293	S	S	*	.	P	Polyproline II helix	trans	-63.4	130.1	172.1	0	0	0	0	0	109.5
279	P	98.5	Very high	98.4	Very high	53 Å²	53	44.5 Å²	44.5	34%	0.344	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-74	142.7	175.1	31.2	-33.4	0	0	0	110.6	N108 V111 R186	N108-P279 HydrophobicContact CB-CB 4.12Å; V111-P279 HydrophobicContact CG2-CB 3.59Å; V111-P279 HydrophobicContact CG2-CG 3.56Å; R186-P279 HydrophobicContact CG-CB 4.13Å; R186-P279 WeakPolarHBondContact O-CA 3.37Å
280	E	98.4	Very high	98.4	Very high	68 Å²	68	43 Å²	43	32%	0.318	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-78.3	136.4	172.1	-61.3	-65.3	152.2	0	0	110.1	N108 K157 R186 M282	N108-E280 PolarHBondContact ND2-O 3.45Å; K157-E280 IonicContact NZ-OE1 3.75Å; K157-E280 PolarHBondContact NZ-OE1 2.61Å; R186-E280 PolarHBondContact O-N 3.27Å; E280-M282 HydrophobicContact CB-SD 3.91Å; E280-M282 PolarHBondContact O-N 2.83Å
281	S	98.4	Very high	98.3	Very high	40 Å²	40	42.5 Å²	42.5	28%	0.28	26%	0.255	S	S	.	.			trans	-76.3	110.8	172.3	-171.3	0	0	0	0	109.2	Q106	Q106-S281 VanDerWaalsContact CB-OG 3.32Å; Q106-S281 WeakPolarHBondContact CB-OG 3.36Å; Q106-S281 PolarHBondContact OE1-OG 2.79Å
282	M	98.7	Very high	97.7	Very high	3 Å²	3	39.9 Å²	39.9	2%	0.015	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	137.9	-175.2	-56.5	-58.8	-66.6	0	0	110.2	Q106 L107 R163 G188 E280 D286 Q307	Q106-M282 CarbonylContact C-O 3.56Å; Q106-M282 WeakPolarHBondContact CA-O 3.34Å; L107-M282 PolarHBondContact N-O 2.89Å; L107-M282 WeakPolarHBondContact O-CA 3.45Å; L107-M282 WeakPolarHBondContact O-CB 3.4Å; L107-M282 PolarHBondContact O-N 2.83Å; L107-M282 VanDerWaalsContact O-O 3.08Å; R163-M282 HydrophobicContact CG-CE 3.98Å; R163-M282 HydrophobicContact CG-SD 4.28Å; G188-M282 VanDerWaalsContact CA-CE 3.46Å; G188-M282 WeakPolarHBondContact CA-SD 3.37Å; E280-M282 HydrophobicContact CB-SD 3.91Å; E280-M282 PolarHBondContact O-N 2.83Å; M282-D286 HydrophobicContact CB-CB 4.49Å; M282-D286 HydrophobicContact CE-CB 3.75Å; M282-D286 WeakPolarHBondContact CE-OD2 3.36Å; M282-Q307 HydrophobicContact CB-CG 3.87Å
283	G	98.8	Very high	96.6	Very high	17 Å²	17	35 Å²	35	18%	0.175	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	148.7	170.3	0	0	0	0	0	111	G105 E285 D286 Q307	G105-G283 WeakPolarHBondContact O-CA 3.16Å; G283-E285 PolarHBondContact O-N 3.26Å; G283-E285 VanDerWaalsContact O-N 3.08Å; G283-D286 PolarHBondContact N-OD2 3.46Å; G283-D286 WeakPolarHBondContact O-CB 3.48Å; G283-D286 PolarHBondContact O-N 3.37Å; G283-Q307 WeakPolarHBondContact O-CG 3.17Å
284	S	98.8	Very high	94.8	Very high	3 Å²	3	39.1 Å²	39.1	2%	0.021	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.2	-39.9	178	177.3	0	0	0	0	113.2	W101 F102 G105 Q307 A308	W101-S284 WeakPolarHBondContact O-CB 3.48Å; W101-S284 PolarHBondContact O-OG 2.99Å; F102-S284 WeakPolarHBondContact O-CB 3.49Å; G105-S284 PolarHBondContact O-N 3.17Å; S284-Q307 PolarHBondContact O-N 2.99Å; S284-A308 PolarHBondContact O-N 3.43Å; S284-A308 VanDerWaalsContact OG-CB 3.24Å; S284-A308 WeakPolarHBondContact OG-CB 3.4Å
285	E	98.6	Very high	92.4	Very high	52 Å²	52	34 Å²	34	24%	0.243	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	9.4	-176.7	-64.8	-57.5	153.9	0	0	114.2	W101 L103 G283 T306 R507	W101-E285 WeakPolarHBondContact CA-OE1 3.22Å; W101-E285 PolarHBondContact N-OE1 3.24Å; L103-E285 HydrophobicContact CD2-CG 3.67Å; G283-E285 PolarHBondContact O-N 3.26Å; G283-E285 VanDerWaalsContact O-N 3.08Å; E285-T306 VanDerWaalsContact O-CG2 3.26Å; E285-T306 WeakPolarHBondContact O-CG2 3.47Å; E285-T306 WeakPolarHBondContact OE2-CG2 3.48Å; E285-T306 PolarHBondContact OE2-OG1 3.39Å; E285-R507 IonicContact OE1-CZ 3Å; E285-R507 IonicContact OE1-NE 2.66Å; E285-R507 PolarHBondContact OE1-NE 3.24Å; E285-R507 IonicContact OE1-NH2 2.77Å; E285-R507 PolarHBondContact OE1-NH2 3.1Å; E285-R507 IonicContact OE2-CZ 2.85Å; E285-R507 IonicContact OE2-NE 2.83Å; E285-R507 PolarHBondContact OE2-NE 2.89Å; E285-R507 IonicContact OE2-NH2 2.69Å; E285-R507 PolarHBondContact OE2-NH2 2.86Å
286	D	98.8	Very high	89.6	Confident	44 Å²	44	37.7 Å²	37.7	24%	0.235	24%	0.243	C	C	.	.	S	Bend	trans	-65.5	147.1	167.5	-73.9	-30.5	0	0	0	110.1	R163 M282 G283 L288 T306 Q307	R163-D286 IonicContact CZ-OD2 3.47Å; R163-D286 IonicContact NE-OD2 2.78Å; R163-D286 IonicContact NH2-OD1 3.96Å; R163-D286 IonicContact NH2-OD2 3.36Å; R163-D286 PolarHBondContact NH2-OD2 2.95Å; M282-D286 HydrophobicContact CB-CB 4.49Å; M282-D286 HydrophobicContact CE-CB 3.75Å; M282-D286 WeakPolarHBondContact CE-OD2 3.36Å; G283-D286 PolarHBondContact N-OD2 3.46Å; G283-D286 WeakPolarHBondContact O-CB 3.48Å; G283-D286 PolarHBondContact O-N 3.37Å; D286-L288 PolarHBondContact O-N 3.45Å; D286-T306 WeakPolarHBondContact O-CA 3.42Å; D286-T306 VanDerWaalsContact O-CB 3.28Å; D286-T306 WeakPolarHBondContact O-CB 3.46Å; D286-Q307 HydrophobicContact CB-CG 4.15Å; D286-Q307 WeakPolarHBondContact O-CG 3.27Å; D286-Q307 PolarHBondContact O-N 2.78Å
287	V	98.8	Very high	87.1	Confident	48 Å²	48	37.3 Å²	37.3	29%	0.291	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	128.7	178.7	-178.9	0	0	0	0	109.8	V190 V304 Q307	V190-V287 HydrophobicContact CB-CG1 4.21Å; V190-V287 HydrophobicContact CG1-CG1 3.52Å; V190-V287 HydrophobicContact CG2-CB 3.77Å; V190-V287 HydrophobicContact CG2-CG1 3.6Å; V287-V304 HydrophobicContact CB-CG1 4.46Å; V287-V304 HydrophobicContact CG1-CG1 3.97Å; V287-V304 HydrophobicContact CG2-CG1 3.86Å; V287-Q307 PolarHBondContact O-NE2 2.8Å
288	L	98.9	Very high	84.7	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	-51	173.1	176.8	63.9	0	0	0	110.6	V109 A185 D286 H305 Y310 Y347	V109-L288 HydrophobicContact CB-CD1 4.08Å; V109-L288 HydrophobicContact CG1-CD1 4.21Å; V109-L288 HydrophobicContact CG1-CD2 4.34Å; V109-L288 HydrophobicContact CG2-CD1 4.03Å; V109-L288 HydrophobicContact CG2-CD2 4.14Å; A185-L288 HydrophobicContact CB-CD1 3.6Å; D286-L288 PolarHBondContact O-N 3.45Å; L288-H305 PolarHBondContact N-O 2.73Å; L288-Y310 HydrophobicContact CD2-CD1 3.8Å; L288-Y310 HydrophobicContact CD2-CE1 4.28Å; L288-Y347 HydrophobicContact CD2-CE1 4.37Å; L288-Y347 HydrophobicContact CD2-CE2 4.45Å
289	F	98.9	Very high	82.6	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	162.9	-178.6	71.2	-93.5	0	0	0	113	H191 L291 H305 Y310 I339 H342 Y347	H191-F289 WeakPolarHBondContact CE1-CB 3.49Å; H191-F289 AromaticContact CE1-CG 3.84Å; H191-F289 VanDerWaalsContact NE2-CB 3.35Å; H191-F289 WeakPolarHBondContact NE2-CB 3.4Å; H191-F289 VanDerWaalsContact O-CA 3.27Å; H191-F289 WeakPolarHBondContact O-CA 3.45Å; H191-F289 WeakPolarHBondContact O-CB 3.42Å; F289-L291 HydrophobicContact CD2-CB 4.1Å; F289-L291 HydrophobicContact CE2-CB 3.92Å; F289-H305 HydrophobicContact CD1-CB 4.08Å; F289-H305 HydrophobicContact CE1-CB 3.52Å; F289-H305 HydrophobicContact CE2-CB 4.09Å; F289-H305 AromaticContact CE2-CD2 3.62Å; F289-H305 HydrophobicContact CZ-CB 3.53Å; F289-H305 AromaticContact CZ-CD2 3.43Å; F289-H305 VanDerWaalsContact CZ-CD2 3.43Å; F289-H305 WeakPolarHBondContact CZ-CD2 3.42Å; F289-H305 AromaticContact CZ-CG 3.64Å; F289-H305 PolarHBondContact N-O 3.47Å; F289-H305 PolarHBondContact O-N 3.15Å; F289-Y310 AromaticContact CE1-CD1 3.84Å; F289-Y310 HydrophobicContact CE1-CD1 3.84Å; F289-Y310 AromaticContact CE1-CD2 4Å; F289-Y310 HydrophobicContact CE1-CD2 4Å; F289-Y310 AromaticContact CE1-CE1 3.53Å; F289-Y310 HydrophobicContact CE1-CE1 3.53Å; F289-Y310 AromaticContact CE1-CE2 3.71Å; F289-Y310 HydrophobicContact CE1-CE2 3.71Å; F289-Y310 HydrophobicContact CE1-CG 4.07Å; F289-Y310 AromaticContact CE1-CZ 3.46Å; F289-Y310 VanDerWaalsContact CE1-CZ 3.46Å; F289-Y310 HydrophobicContact CZ-CD2 4.12Å; F289-Y310 HydrophobicContact CZ-CE1 4.22Å; F289-Y310 AromaticContact CZ-CE2 3.6Å; F289-Y310 HydrophobicContact CZ-CE2 3.6Å; F289-Y310 AromaticContact CZ-CZ 3.66Å; F289-I339 HydrophobicContact CE2-CD1 4.16Å; F289-I339 HydrophobicContact CZ-CD1 3.94Å; F289-H342 AromaticContact CD2-CD2 3.76Å; F289-H342 AromaticContact CD2-NE2 3.99Å; F289-H342 AromaticContact CE2-CD2 3.73Å; F289-Y347 HydrophobicContact CD1-CE2 4.38Å; F289-Y347 HydrophobicContact CE1-CE2 4.44Å
290	M	98	Very high	81.1	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	129.5	167.7	-67.8	-179.3	-70.3	0	0	110.4	C166 V190 H191 T192 A210 I303 V304 Y510	C166-M290 HydrophobicContact CB-CE 4.13Å; C166-M290 WeakPolarHBondContact SG-CE 3.3Å; V190-M290 HydrophobicContact CG1-CE 3.83Å; V190-M290 HydrophobicContact CG1-CG 3.98Å; H191-M290 PolarHBondContact O-N 3.36Å; T192-M290 VanDerWaalsContact CA-O 3.32Å; T192-M290 WeakPolarHBondContact CA-O 3.47Å; T192-M290 WeakPolarHBondContact CB-O 3.14Å; T192-M290 PolarHBondContact OG1-O 3.38Å; A210-M290 HydrophobicContact CB-CE 3.48Å; A210-M290 VanDerWaalsContact CB-CE 3.48Å; A210-M290 HydrophobicContact CB-SD 4.49Å; M290-I303 WeakPolarHBondContact CA-O 3.44Å; M290-V304 HydrophobicContact CG-CG2 4.09Å; M290-Y510 VanDerWaalsContact SD-CB 3.54Å; M290-Y510 HydrophobicContact SD-CD1 3.73Å; M290-Y510 HydrophobicContact SD-CD2 3.35Å; M290-Y510 WeakPolarHBondContact SD-CD2 3.3Å; M290-Y510 HydrophobicContact SD-CE1 4.23Å; M290-Y510 HydrophobicContact SD-CE2 3.89Å; M290-Y510 HydrophobicContact SD-CG 3.24Å
291	L	94.6	Very high	80.3	Confident	5 Å²	5	39.6 Å²	39.6	3%	0.026	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	119.2	174.6	-171.7	60.9	0	0	0	111.1	F289 T293 I303 I339 T445	F289-L291 HydrophobicContact CD2-CB 4.1Å; F289-L291 HydrophobicContact CE2-CB 3.92Å; L291-T293 PolarHBondContact O-N 3.21Å; L291-I303 PolarHBondContact N-O 3.42Å; L291-I303 WeakPolarHBondContact O-CB 3.5Å; L291-I303 PolarHBondContact O-N 3.37Å; L291-I339 HydrophobicContact CD2-CB 3.75Å; L291-I339 HydrophobicContact CD2-CD1 3.99Å; L291-I339 HydrophobicContact CD2-CG1 4.48Å; L291-T445 HydrophobicContact CB-CG2 4.26Å; L291-T445 HydrophobicContact CD2-CG2 3.86Å; L291-T445 HydrophobicContact CG-CG2 4.22Å
292	Y	85.4	Confident	80	Confident	19 Å²	19	37.7 Å²	37.7	8%	0.075	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	116.7	-173.9	-80	-84.8	0	0	0	113	T192 R206 D209 A210 P300 K301	T192-Y292 WeakPolarHBondContact OG1-CD2 3.25Å; R206-Y292 HydrophobicContact CB-CD2 3.91Å; R206-Y292 HydrophobicContact CB-CE2 4.03Å; R206-Y292 HydrophobicContact CB-CG 4.22Å; R206-Y292 HydrophobicContact CG-CD1 3.97Å; R206-Y292 HydrophobicContact CG-CD2 3.83Å; R206-Y292 HydrophobicContact CG-CE1 4.45Å; R206-Y292 HydrophobicContact CG-CE2 4.34Å; R206-Y292 HydrophobicContact CG-CG 3.63Å; D209-Y292 HydrophobicContact CB-CE1 4.06Å; D209-Y292 WeakPolarHBondContact CB-OH 3.4Å; D209-Y292 WeakPolarHBondContact OD2-CE1 3.46Å; D209-Y292 VanDerWaalsContact OD2-CZ 3.28Å; D209-Y292 PolarHBondContact OD2-OH 3.36Å; A210-Y292 WeakPolarHBondContact CA-OH 3.22Å; A210-Y292 HydrophobicContact CB-CE2 4.14Å; A210-Y292 WeakPolarHBondContact CB-OH 3.25Å; A210-Y292 PolarHBondContact N-OH 2.76Å; Y292-P300 HydrophobicContact CD1-CB 3.57Å; Y292-P300 HydrophobicContact CE1-CB 4.26Å; Y292-P300 HydrophobicContact CG-CB 4.42Å; Y292-K301 VanDerWaalsContact CA-O 3.29Å; Y292-K301 WeakPolarHBondContact CA-O 3.47Å
293	T	74.5	Confident	79.9	Confident	20 Å²	20	37.5 Å²	37.5	12%	0.123	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	155.5	173.4	67	0	0	0	0	111.8	L291 G295 P300 K301 I303 T445	L291-T293 PolarHBondContact O-N 3.21Å; T293-G295 PolarHBondContact O-N 2.79Å; T293-P300 WeakPolarHBondContact O-CA 3.19Å; T293-K301 PolarHBondContact N-O 2.88Å; T293-K301 PolarHBondContact O-N 3.27Å; T293-K301 VanDerWaalsContact OG1-CE 3.27Å; T293-K301 WeakPolarHBondContact OG1-CE 3.49Å; T293-I303 HydrophobicContact CG2-CG1 3.87Å; T293-T445 HydrophobicContact CG2-CG2 3.51Å
294	S	61.2	Low	79.9	Confident	105 Å²	105	36.9 Å²	36.9	73%	0.734	23%	0.234	S	C	*	.	P	Polyproline II helix	trans	-73.9	116.4	171.7	54.4	0	0	0	0	109.6
295	G	47.5	Very low	79.9	Confident	12 Å²	12	36.8 Å²	36.8	12%	0.124	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-76.1	154.3	170	0	0	0	0	0	112.2	T293 T297 G298	T293-G295 PolarHBondContact O-N 2.79Å; G295-T297 PolarHBondContact O-N 3.26Å; G295-G298 PolarHBondContact O-N 2.92Å; G295-G298 VanDerWaalsContact O-N 3.1Å
296	S	40.1	Very low	79.9	Confident	118 Å²	118	34.5 Å²	34.5	83%	0.825	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-29	170.6	48.1	0	0	0	0	112.3	G298	S296-G298 VanDerWaalsContact C-N 3.35Å
297	T	45.3	Very low	79.9	Confident	101 Å²	101	32.4 Å²	32.4	62%	0.62	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.6	1.7	178.8	61.9	0	0	0	0	114.7	G295 M299 R515	G295-T297 PolarHBondContact O-N 3.26Å; T297-M299 VanDerWaalsContact C-N 3.3Å; T297-M299 PolarHBondContact O-N 3.41Å; T297-R515 PolarHBondContact OG1-NH2 3.23Å
298	G	48.1	Very low	79.9	Confident	63 Å²	63	30.1 Å²	30.1	65%	0.649	20%	0.198	S	C	*	.	S	Bend	trans	85.2	-25.4	177.7	0	0	0	0	0	115.9	G295 S296	G295-G298 PolarHBondContact O-N 2.92Å; G295-G298 VanDerWaalsContact O-N 3.1Å; S296-G298 VanDerWaalsContact C-N 3.35Å
299	M	55	Low	79.9	Confident	125 Å²	125	30.1 Å²	30.1	62%	0.616	20%	0.198	S	C	*	.	S	Bend	trans	-77.2	127.8	174.2	-69.1	-61.2	-69.7	0	0	111.3	T297 R515	T297-M299 VanDerWaalsContact C-N 3.3Å; T297-M299 PolarHBondContact O-N 3.41Å; M299-R515 PolarHBondContact O-NH2 2.83Å
300	P	66.5	Low	79.9	Confident	30 Å²	30	30.2 Å²	30.2	20%	0.195	20%	0.198	C	C	.	.			trans	-53.5	146.1	176.4	-24.7	33.8	0	0	0	112.4	Y292 T293 R515	Y292-P300 HydrophobicContact CD1-CB 3.57Å; Y292-P300 HydrophobicContact CE1-CB 4.26Å; Y292-P300 HydrophobicContact CG-CB 4.42Å; T293-P300 WeakPolarHBondContact O-CA 3.19Å; P300-R515 PolarHBondContact O-NH1 2.92Å
301	K	81.2	Confident	79.9	Confident	26 Å²	26	30.2 Å²	30.2	11%	0.113	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	111.2	176	-64.4	-178.5	-61.1	169.6	0	109.1	Y292 T293 I303 E446 I509 R515 Y520	Y292-K301 VanDerWaalsContact CA-O 3.29Å; Y292-K301 WeakPolarHBondContact CA-O 3.47Å; T293-K301 PolarHBondContact N-O 2.88Å; T293-K301 PolarHBondContact O-N 3.27Å; T293-K301 VanDerWaalsContact OG1-CE 3.27Å; T293-K301 WeakPolarHBondContact OG1-CE 3.49Å; K301-I303 HydrophobicContact CB-CD1 4.13Å; K301-I303 PolarHBondContact O-N 3.22Å; K301-E446 IonicContact NZ-OE1 2.71Å; K301-I509 HydrophobicContact CB-CD1 4.36Å; K301-I509 HydrophobicContact CB-CG1 4.45Å; K301-I509 HydrophobicContact CB-CG2 4.41Å; K301-I509 HydrophobicContact CD-CD1 3.85Å; K301-I509 HydrophobicContact CG-CD1 4.16Å; K301-R515 VanDerWaalsContact CG-CZ 3.42Å; K301-R515 VanDerWaalsContact CG-NH2 3.3Å; K301-Y520 PolarHBondContact NZ-OH 2.78Å
302	G	91.6	Very high	80.1	Confident	0 Å²	0	30 Å²	30	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	90.5	173.4	0	0	0	0	0	110.4	V304 I509 Y510	G302-V304 PolarHBondContact O-N 3.26Å; G302-I509 WeakPolarHBondContact O-CA 3.29Å; G302-Y510 PolarHBondContact O-N 3.37Å
303	I	96.9	Very high	80.8	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	125.4	179.3	-57.9	-56.7	0	0	0	109.2	M290 L291 T293 K301 T445 E446 A506 I509	M290-I303 WeakPolarHBondContact CA-O 3.44Å; L291-I303 PolarHBondContact N-O 3.42Å; L291-I303 WeakPolarHBondContact O-CB 3.5Å; L291-I303 PolarHBondContact O-N 3.37Å; T293-I303 HydrophobicContact CG2-CG1 3.87Å; K301-I303 HydrophobicContact CB-CD1 4.13Å; K301-I303 PolarHBondContact O-N 3.22Å; I303-T445 HydrophobicContact CB-CG2 4.12Å; I303-T445 HydrophobicContact CG1-CG2 4.16Å; I303-T445 HydrophobicContact CG2-CG2 4.23Å; I303-E446 HydrophobicContact CD1-CG 3.93Å; I303-E446 HydrophobicContact CG1-CG 4.22Å; I303-E446 HydrophobicContact CG2-CG 4.23Å; I303-A506 HydrophobicContact CG2-CB 3.44Å; I303-A506 VanDerWaalsContact CG2-CB 3.44Å; I303-I509 HydrophobicContact CD1-CG1 3.99Å
304	V	98.7	Very high	81.9	Confident	4 Å²	4	28.1 Å²	28.1	2%	0.024	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	126.8	-175.1	173.1	0	0	0	0	111.3	V287 M290 G302 A506 R507 T508 Y510	V287-V304 HydrophobicContact CB-CG1 4.46Å; V287-V304 HydrophobicContact CG1-CG1 3.97Å; V287-V304 HydrophobicContact CG2-CG1 3.86Å; M290-V304 HydrophobicContact CG-CG2 4.09Å; G302-V304 PolarHBondContact O-N 3.26Å; V304-A506 WeakPolarHBondContact O-CA 3.35Å; V304-R507 PolarHBondContact O-N 3.16Å; V304-T508 HydrophobicContact CB-CG2 3.75Å; V304-T508 HydrophobicContact CG1-CG2 4.18Å; V304-T508 HydrophobicContact CG2-CG2 3.71Å; V304-T508 PolarHBondContact N-O 3.21Å; V304-Y510 HydrophobicContact CG2-CD2 4.38Å
305	H	98.9	Very high	83.7	Confident	1 Å²	1	23.1 Å²	23.1	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	146.4	169.1	-76.5	-76.5	0	0	0	110.8	L288 F289 Y310 T445 G448 G504	L288-H305 PolarHBondContact N-O 2.73Å; F289-H305 HydrophobicContact CD1-CB 4.08Å; F289-H305 HydrophobicContact CE1-CB 3.52Å; F289-H305 HydrophobicContact CE2-CB 4.09Å; F289-H305 AromaticContact CE2-CD2 3.62Å; F289-H305 HydrophobicContact CZ-CB 3.53Å; F289-H305 AromaticContact CZ-CD2 3.43Å; F289-H305 VanDerWaalsContact CZ-CD2 3.43Å; F289-H305 WeakPolarHBondContact CZ-CD2 3.42Å; F289-H305 AromaticContact CZ-CG 3.64Å; F289-H305 PolarHBondContact N-O 3.47Å; F289-H305 PolarHBondContact O-N 3.15Å; H305-Y310 HydrophobicContact CB-CD2 3.95Å; H305-Y310 HydrophobicContact CB-CG 4.16Å; H305-Y310 AromaticContact CG-CD2 3.74Å; H305-Y310 AromaticContact ND1-CD2 3.56Å; H305-T445 PolarHBondContact NE2-O 3.47Å; H305-G448 VanDerWaalsContact CE1-CA 3.46Å; H305-G448 WeakPolarHBondContact CE1-CA 3.4Å; H305-G504 PolarHBondContact CE1-O 2.93Å; H305-G504 PolarHBondContact ND1-O 3.03Å
306	T	98.8	Very high	86.2	Confident	4 Å²	4	22.8 Å²	22.8	3%	0.025	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	-177.3	-175.7	55.8	0	0	0	0	112.4	E285 D286 Y310 R507	E285-T306 VanDerWaalsContact O-CG2 3.26Å; E285-T306 WeakPolarHBondContact O-CG2 3.47Å; E285-T306 WeakPolarHBondContact OE2-CG2 3.48Å; E285-T306 PolarHBondContact OE2-OG1 3.39Å; D286-T306 WeakPolarHBondContact O-CA 3.42Å; D286-T306 VanDerWaalsContact O-CB 3.28Å; D286-T306 WeakPolarHBondContact O-CB 3.46Å; T306-Y310 WeakPolarHBondContact O-CB 3.49Å; T306-R507 HydrophobicContact CG2-CB 4.42Å; T306-R507 HydrophobicContact CG2-CG 3.54Å; T306-R507 PolarHBondContact OG1-NH2 2.89Å
307	Q	98.8	Very high	89	Confident	0 Å²	0	17.2 Å²	17.2	0%	0	11%	0.109	C	C	.	.	S	Bend	trans	-71	-70.8	-169.4	-58.2	-73.6	-34.7	0	0	113	L107 V109 M282 G283 S284 D286 V287 L311	L107-Q307 HydrophobicContact CD2-CB 3.95Å; V109-Q307 HydrophobicContact CG2-CB 4.2Å; M282-Q307 HydrophobicContact CB-CG 3.87Å; G283-Q307 WeakPolarHBondContact O-CG 3.17Å; S284-Q307 PolarHBondContact O-N 2.99Å; D286-Q307 HydrophobicContact CB-CG 4.15Å; D286-Q307 WeakPolarHBondContact O-CG 3.27Å; D286-Q307 PolarHBondContact O-N 2.78Å; V287-Q307 PolarHBondContact O-NE2 2.8Å; Q307-L311 VanDerWaalsContact O-CB 3.32Å; Q307-L311 WeakPolarHBondContact O-CB 3.49Å; Q307-L311 PolarHBondContact O-N 2.78Å
308	A	98.8	Very high	91.5	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-80.1	-45.7	-163.1	0	0	0	0	0	112.9	L80 W82 F102 L107 S284 Y310 L311 L312	L80-A308 HydrophobicContact CD1-CB 4.3Å; W82-A308 HydrophobicContact CH2-CB 3.42Å; W82-A308 VanDerWaalsContact CH2-CB 3.42Å; W82-A308 HydrophobicContact CZ2-CB 4.14Å; W82-A308 HydrophobicContact CZ3-CB 4.07Å; F102-A308 HydrophobicContact CD2-CB 4.05Å; L107-A308 HydrophobicContact CD1-CB 3.88Å; L107-A308 HydrophobicContact CD2-CB 3.74Å; S284-A308 PolarHBondContact O-N 3.43Å; S284-A308 VanDerWaalsContact OG-CB 3.24Å; S284-A308 WeakPolarHBondContact OG-CB 3.4Å; A308-Y310 PolarHBondContact O-N 3.41Å; A308-L311 PolarHBondContact O-N 3.22Å; A308-L312 VanDerWaalsContact O-CB 3.28Å; A308-L312 WeakPolarHBondContact O-CB 3.36Å; A308-L312 PolarHBondContact O-N 3.16Å
309	G	98.8	Very high	93.9	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-60	-45.7	-177.5	0	0	0	0	0	112.6	Y313 P503	G309-Y313 WeakPolarHBondContact O-CB 3.27Å; G309-Y313 PolarHBondContact O-N 3.23Å; G309-Y313 VanDerWaalsContact O-N 3.15Å; G309-P503 CarbonylContact C-O 3.49Å; G309-P503 VanDerWaalsContact C-O 3.26Å; G309-P503 WeakPolarHBondContact CA-O 3.39Å; G309-P503 CarbonylContact O-C 3.57Å
310	Y	98.9	Very high	95.9	Very high	1 Å²	1	9 Å²	9	0%	0.004	5%	0.045	C	C	.	.	H	α-helix	trans	-62.6	-51.6	175.5	175.5	-95.5	0	0	0	112	L288 F289 H305 T306 A308 L312 Y313 A314 I339 H342 S343 Y347	L288-Y310 HydrophobicContact CD2-CD1 3.8Å; L288-Y310 HydrophobicContact CD2-CE1 4.28Å; F289-Y310 AromaticContact CE1-CD1 3.84Å; F289-Y310 HydrophobicContact CE1-CD1 3.84Å; F289-Y310 AromaticContact CE1-CD2 4Å; F289-Y310 HydrophobicContact CE1-CD2 4Å; F289-Y310 AromaticContact CE1-CE1 3.53Å; F289-Y310 HydrophobicContact CE1-CE1 3.53Å; F289-Y310 AromaticContact CE1-CE2 3.71Å; F289-Y310 HydrophobicContact CE1-CE2 3.71Å; F289-Y310 HydrophobicContact CE1-CG 4.07Å; F289-Y310 AromaticContact CE1-CZ 3.46Å; F289-Y310 VanDerWaalsContact CE1-CZ 3.46Å; F289-Y310 HydrophobicContact CZ-CD2 4.12Å; F289-Y310 HydrophobicContact CZ-CE1 4.22Å; F289-Y310 AromaticContact CZ-CE2 3.6Å; F289-Y310 HydrophobicContact CZ-CE2 3.6Å; F289-Y310 AromaticContact CZ-CZ 3.66Å; H305-Y310 HydrophobicContact CB-CD2 3.95Å; H305-Y310 HydrophobicContact CB-CG 4.16Å; H305-Y310 AromaticContact CG-CD2 3.74Å; H305-Y310 AromaticContact ND1-CD2 3.56Å; T306-Y310 WeakPolarHBondContact O-CB 3.49Å; A308-Y310 PolarHBondContact O-N 3.41Å; Y310-L312 PolarHBondContact O-N 2.92Å; Y310-Y313 PolarHBondContact O-N 3.03Å; Y310-A314 WeakPolarHBondContact O-CB 3.33Å; Y310-A314 PolarHBondContact O-N 3.16Å; Y310-I339 HydrophobicContact CE2-CD1 4.3Å; Y310-H342 WeakPolarHBondContact OH-CB 3.09Å; Y310-S343 WeakPolarHBondContact OH-CA 3.32Å; Y310-S343 PolarHBondContact OH-N 3.25Å; Y310-S343 PolarHBondContact OH-OG 3.42Å; Y310-Y347 AromaticContact CE1-CD2 3.47Å; Y310-Y347 HydrophobicContact CE1-CD2 3.47Å; Y310-Y347 VanDerWaalsContact CE1-CD2 3.47Å; Y310-Y347 HydrophobicContact CE1-CE2 4.05Å; Y310-Y347 AromaticContact CE1-CG 3.87Å; Y310-Y347 HydrophobicContact CE1-CG 3.87Å
311	L	98.9	Very high	97.4	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-62.4	-45.4	-176.5	-177.2	65	0	0	0	111.9	L80 V109 N112 Q307 A308 Y313 A314 A315 Y347 C351	L80-L311 HydrophobicContact CD2-CD2 3.81Å; L80-L311 HydrophobicContact CD2-CG 3.95Å; V109-L311 HydrophobicContact CB-CD2 4.36Å; V109-L311 HydrophobicContact CG1-CD1 4.26Å; V109-L311 HydrophobicContact CG1-CD2 4.25Å; V109-L311 HydrophobicContact CG2-CB 4.35Å; V109-L311 HydrophobicContact CG2-CD2 4Å; N112-L311 HydrophobicContact CB-CD2 3.56Å; Q307-L311 VanDerWaalsContact O-CB 3.32Å; Q307-L311 WeakPolarHBondContact O-CB 3.49Å; Q307-L311 PolarHBondContact O-N 2.78Å; A308-L311 PolarHBondContact O-N 3.22Å; L311-Y313 VanDerWaalsContact C-N 3.32Å; L311-Y313 PolarHBondContact O-N 2.7Å; L311-A314 PolarHBondContact O-N 2.75Å; L311-A315 VanDerWaalsContact O-CB 3.28Å; L311-A315 WeakPolarHBondContact O-CB 3.29Å; L311-A315 PolarHBondContact O-N 2.95Å; L311-Y347 HydrophobicContact CD1-CD1 4.35Å; L311-C351 HydrophobicContact CD1-CB 3.86Å; L311-C351 HydrophobicContact CG-CB 4.48Å
312	L	98.9	Very high	98.2	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-56.6	-49.1	176.6	177.9	63.3	0	0	0	110.8	W72 A76 T79 L80 F102 A308 Y310 A315 L316	W72-L312 HydrophobicContact CE3-CD2 4.25Å; A76-L312 HydrophobicContact CB-CD2 3.61Å; T79-L312 HydrophobicContact CG2-CD1 4.06Å; L80-L312 HydrophobicContact CD1-CB 3.96Å; L80-L312 HydrophobicContact CG-CB 4.46Å; L80-L312 HydrophobicContact CG-CD1 4.36Å; F102-L312 HydrophobicContact CE1-CD2 4.42Å; F102-L312 HydrophobicContact CE2-CD2 3.79Å; F102-L312 HydrophobicContact CZ-CD2 3.44Å; F102-L312 VanDerWaalsContact CZ-CD2 3.44Å; A308-L312 VanDerWaalsContact O-CB 3.28Å; A308-L312 WeakPolarHBondContact O-CB 3.36Å; A308-L312 PolarHBondContact O-N 3.16Å; Y310-L312 PolarHBondContact O-N 2.92Å; L312-A315 PolarHBondContact O-N 2.91Å; L312-L316 HydrophobicContact CD1-CD1 3.66Å; L312-L316 HydrophobicContact CD1-CG 4.04Å; L312-L316 HydrophobicContact CG-CD1 3.82Å; L312-L316 HydrophobicContact CG-CG 4.49Å; L312-L316 WeakPolarHBondContact O-CB 3.45Å; L312-L316 WeakPolarHBondContact O-CG 3.47Å; L312-L316 PolarHBondContact O-N 3.44Å
313	Y	98.9	Very high	98.4	Very high	1 Å²	1	10.3 Å²	10.3	0%	0.004	5%	0.052	C	C	.	.	H	α-helix	trans	-66.4	-44.2	-175.7	-166.9	-114.7	0	0	0	111.7	W72 G309 Y310 L311 A315 L316 T317 G449 I450 F472 I475 W502	W72-Y313 AromaticContact CH2-CD2 3.91Å; W72-Y313 HydrophobicContact CH2-CD2 3.91Å; W72-Y313 HydrophobicContact CH2-CE2 4.04Å; W72-Y313 HydrophobicContact CZ3-CD2 4.44Å; G309-Y313 WeakPolarHBondContact O-CB 3.27Å; G309-Y313 PolarHBondContact O-N 3.23Å; G309-Y313 VanDerWaalsContact O-N 3.15Å; Y310-Y313 PolarHBondContact O-N 3.03Å; L311-Y313 VanDerWaalsContact C-N 3.32Å; L311-Y313 PolarHBondContact O-N 2.7Å; Y313-A315 PolarHBondContact O-N 3.24Å; Y313-L316 PolarHBondContact O-N 2.66Å; Y313-T317 HydrophobicContact CD1-CG2 4.39Å; Y313-T317 HydrophobicContact CD2-CG2 4.38Å; Y313-T317 HydrophobicContact CE1-CG2 4.13Å; Y313-T317 HydrophobicContact CE2-CG2 4.1Å; Y313-T317 WeakPolarHBondContact O-CB 3.38Å; Y313-T317 WeakPolarHBondContact O-CG2 3.23Å; Y313-T317 PolarHBondContact O-N 3.48Å; Y313-T317 PolarHBondContact O-OG1 2.88Å; Y313-G449 VanDerWaalsContact CE1-C 3.48Å; Y313-G449 VanDerWaalsContact CE1-CA 3.47Å; Y313-I450 PolarHBondContact OH-O 3.36Å; Y313-F472 HydrophobicContact CD2-CE1 4.45Å; Y313-F472 AromaticContact CE2-CD1 3.7Å; Y313-F472 HydrophobicContact CE2-CD1 3.7Å; Y313-F472 AromaticContact CE2-CE1 3.95Å; Y313-F472 HydrophobicContact CE2-CE1 3.95Å; Y313-I475 WeakPolarHBondContact OH-CD1 3.4Å; Y313-W502 AromaticContact CE1-CD1 3.76Å; Y313-W502 AromaticContact CE1-NE1 3.98Å; Y313-W502 AromaticContact CE2-CD1 3.95Å; Y313-W502 AromaticContact CZ-CD1 3.65Å
314	A	98.9	Very high	98.4	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-61.9	-41.5	174.8	0	0	0	0	0	112	Y310 L311 T317 H318	Y310-A314 WeakPolarHBondContact O-CB 3.33Å; Y310-A314 PolarHBondContact O-N 3.16Å; L311-A314 PolarHBondContact O-N 2.75Å; A314-T317 PolarHBondContact O-OG1 3.07Å; A314-H318 WeakPolarHBondContact O-CB 3.47Å; A314-H318 PolarHBondContact O-N 3.44Å
315	A	98.8	Very high	98.3	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-64.5	-45.8	177.9	0	0	0	0	0	112.1	T79 L311 L312 Y313 K319 C351 N352	T79-A315 HydrophobicContact CG2-CB 4.32Å; L311-A315 VanDerWaalsContact O-CB 3.28Å; L311-A315 WeakPolarHBondContact O-CB 3.29Å; L311-A315 PolarHBondContact O-N 2.95Å; L312-A315 PolarHBondContact O-N 2.91Å; Y313-A315 PolarHBondContact O-N 3.24Å; A315-K319 VanDerWaalsContact O-CB 3.3Å; A315-K319 WeakPolarHBondContact O-CB 3.44Å; A315-K319 PolarHBondContact O-N 3.2Å; A315-C351 HydrophobicContact CB-CB 3.98Å; A315-N352 PolarHBondContact O-ND2 2.86Å
316	L	98.6	Very high	98.1	Very high	5 Å²	5	23.4 Å²	23.4	3%	0.026	12%	0.119	C	C	.	.	H	α-helix	trans	-70.7	-44.2	-178.6	-70.7	173.4	0	0	0	112.6	W72 L75 L312 Y313 K319 L320 F472	W72-L316 HydrophobicContact CE3-CD1 4.27Å; W72-L316 HydrophobicContact CZ3-CD1 3.68Å; L75-L316 HydrophobicContact CB-CD1 4.23Å; L75-L316 HydrophobicContact CD1-CD1 4.15Å; L312-L316 HydrophobicContact CD1-CD1 3.66Å; L312-L316 HydrophobicContact CD1-CG 4.04Å; L312-L316 HydrophobicContact CG-CD1 3.82Å; L312-L316 HydrophobicContact CG-CG 4.49Å; L312-L316 WeakPolarHBondContact O-CB 3.45Å; L312-L316 WeakPolarHBondContact O-CG 3.47Å; L312-L316 PolarHBondContact O-N 3.44Å; Y313-L316 PolarHBondContact O-N 2.66Å; L316-K319 PolarHBondContact O-N 3.02Å; L316-L320 VanDerWaalsContact O-CB 3.3Å; L316-L320 WeakPolarHBondContact O-CB 3.1Å; L316-L320 VanDerWaalsContact O-CG 3.32Å; L316-L320 WeakPolarHBondContact O-CG 3.32Å; L316-L320 PolarHBondContact O-N 3.37Å; L316-F472 HydrophobicContact CB-CZ 4.32Å
317	T	98.8	Very high	97.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-64.7	-42.3	177.2	49.6	0	0	0	0	111.2	Y313 A314 K319 V321 Y344 I450 F472	Y313-T317 HydrophobicContact CD1-CG2 4.39Å; Y313-T317 HydrophobicContact CD2-CG2 4.38Å; Y313-T317 HydrophobicContact CE1-CG2 4.13Å; Y313-T317 HydrophobicContact CE2-CG2 4.1Å; Y313-T317 WeakPolarHBondContact O-CB 3.38Å; Y313-T317 WeakPolarHBondContact O-CG2 3.23Å; Y313-T317 PolarHBondContact O-N 3.48Å; Y313-T317 PolarHBondContact O-OG1 2.88Å; A314-T317 PolarHBondContact O-OG1 3.07Å; T317-K319 PolarHBondContact O-N 3.32Å; T317-V321 WeakPolarHBondContact O-CB 3.32Å; T317-V321 VanDerWaalsContact O-CG2 3.25Å; T317-V321 WeakPolarHBondContact O-CG2 3.41Å; T317-V321 PolarHBondContact O-N 3.35Å; T317-Y344 PolarHBondContact OG1-OH 2.88Å; T317-I450 HydrophobicContact CG2-CB 4.28Å; T317-I450 WeakPolarHBondContact CG2-O 3.4Å; T317-F472 HydrophobicContact CG2-CD1 3.79Å; T317-F472 HydrophobicContact CG2-CD2 4.18Å; T317-F472 HydrophobicContact CG2-CE1 3.56Å; T317-F472 HydrophobicContact CG2-CE2 3.99Å; T317-F472 HydrophobicContact CG2-CG 4.08Å; T317-F472 HydrophobicContact CG2-CZ 3.67Å
318	H	98.8	Very high	97.8	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-56.2	-52.3	171.6	170	-100.6	0	0	0	111.4	A314 L320 F322 H324 F330 Y344 N352	A314-H318 WeakPolarHBondContact O-CB 3.47Å; A314-H318 PolarHBondContact O-N 3.44Å; H318-L320 PolarHBondContact O-N 3.13Å; H318-F322 WeakPolarHBondContact O-CB 3.42Å; H318-F322 WeakPolarHBondContact O-CD2 3.32Å; H318-F322 PolarHBondContact O-N 2.98Å; H318-H324 AromaticContact CE1-CD2 3.73Å; H318-H324 AromaticContact CE1-CG 3.39Å; H318-H324 AromaticContact CE1-ND1 3.71Å; H318-F330 AromaticContact CD2-CE2 3.94Å; H318-F330 AromaticContact CD2-CZ 3.95Å; H318-F330 AromaticContact NE2-CD1 3.93Å; H318-F330 AromaticContact NE2-CD2 3.53Å; H318-F330 AromaticContact NE2-CE2 3.94Å; H318-F330 AromaticContact NE2-CG 3.56Å; H318-Y344 HydrophobicContact CB-CD1 4.11Å; H318-Y344 HydrophobicContact CB-CE1 4.15Å; H318-N352 PolarHBondContact ND1-ND2 2.79Å
319	K	98.1	Very high	97.8	Very high	68 Å²	68	28.5 Å²	28.5	30%	0.296	16%	0.162	S	C	.	.	H	α-helix	trans	-61.6	-49.2	-176.3	-174.9	179.8	179.4	-171.5	0	112.2	A51 A315 L316 T317 D323 H324	A51-K319 PolarHBondContact O-NZ 2.95Å; A315-K319 VanDerWaalsContact O-CB 3.3Å; A315-K319 WeakPolarHBondContact O-CB 3.44Å; A315-K319 PolarHBondContact O-N 3.2Å; L316-K319 PolarHBondContact O-N 3.02Å; T317-K319 PolarHBondContact O-N 3.32Å; K319-D323 WeakPolarHBondContact O-CA 3.4Å; K319-D323 PolarHBondContact O-N 2.83Å; K319-H324 PolarHBondContact O-N 3.43Å
320	L	97.6	Very high	97.8	Very high	49 Å²	49	28.5 Å²	28.5	26%	0.257	16%	0.162	S	C	.	.	H	α-helix	trans	-88.4	-36.1	-167.7	-62.1	176	0	0	0	113.8	L316 H318 P456 F472 F473	L316-L320 VanDerWaalsContact O-CB 3.3Å; L316-L320 WeakPolarHBondContact O-CB 3.1Å; L316-L320 VanDerWaalsContact O-CG 3.32Å; L316-L320 WeakPolarHBondContact O-CG 3.32Å; L316-L320 PolarHBondContact O-N 3.37Å; H318-L320 PolarHBondContact O-N 3.13Å; L320-P456 HydrophobicContact CB-CB 4.45Å; L320-P456 HydrophobicContact CB-CG 4.4Å; L320-F472 HydrophobicContact CB-CE2 4.14Å; L320-F472 HydrophobicContact CD1-CE2 4.28Å; L320-F472 HydrophobicContact CD1-CZ 4.03Å; L320-F473 HydrophobicContact CD1-CD2 4.28Å; L320-F473 HydrophobicContact CD1-CE2 4.01Å
321	V	98.2	Very high	97.8	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.012	16%	0.162	C	C	.	.	H	α-helix	trans	-73.9	-36.8	179.8	-179.9	0	0	0	0	110.7	T317 V439 T441 I450 A453 F472	T317-V321 WeakPolarHBondContact O-CB 3.32Å; T317-V321 VanDerWaalsContact O-CG2 3.25Å; T317-V321 WeakPolarHBondContact O-CG2 3.41Å; T317-V321 PolarHBondContact O-N 3.35Å; V321-V439 HydrophobicContact CG1-CB 4.21Å; V321-V439 HydrophobicContact CG1-CG1 4.29Å; V321-V439 HydrophobicContact CG1-CG2 4.1Å; V321-T441 HydrophobicContact CG1-CG2 4.11Å; V321-I450 HydrophobicContact CB-CD1 4.32Å; V321-I450 HydrophobicContact CG1-CD1 4.16Å; V321-I450 HydrophobicContact CG2-CB 4.45Å; V321-I450 HydrophobicContact CG2-CD1 4.35Å; V321-I450 HydrophobicContact CG2-CG2 4.1Å; V321-A453 HydrophobicContact CG1-CB 3.95Å; V321-F472 HydrophobicContact CG2-CD2 4.02Å; V321-F472 HydrophobicContact CG2-CE2 4.05Å
322	F	98.2	Very high	97.7	Very high	1 Å²	1	28.5 Å²	28.5	0%	0.004	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-1.2	-177.1	-63.6	-83.6	0	0	0	114.6	H318 H324 F330 Y344 Q382 Y384 T411 V439 I450	H318-F322 WeakPolarHBondContact O-CB 3.42Å; H318-F322 WeakPolarHBondContact O-CD2 3.32Å; H318-F322 PolarHBondContact O-N 2.98Å; F322-H324 VanDerWaalsContact C-N 3.26Å; F322-H324 PolarHBondContact O-N 3.41Å; F322-F330 HydrophobicContact CB-CE2 3.96Å; F322-F330 AromaticContact CD1-CE2 3.63Å; F322-F330 HydrophobicContact CD1-CE2 3.63Å; F322-F330 HydrophobicContact CD1-CZ 4.02Å; F322-F330 AromaticContact CD2-CE2 3.96Å; F322-F330 HydrophobicContact CD2-CE2 3.96Å; F322-F330 HydrophobicContact CD2-CZ 4.04Å; F322-F330 HydrophobicContact CE1-CE2 4.06Å; F322-F330 AromaticContact CE1-CZ 3.98Å; F322-F330 HydrophobicContact CE1-CZ 3.98Å; F322-F330 HydrophobicContact CE2-CE2 4.36Å; F322-F330 AromaticContact CE2-CZ 3.99Å; F322-F330 HydrophobicContact CE2-CZ 3.99Å; F322-F330 AromaticContact CG-CE2 3.57Å; F322-F330 HydrophobicContact CG-CE2 3.57Å; F322-F330 HydrophobicContact CG-CZ 4.04Å; F322-F330 HydrophobicContact CZ-CE2 4.4Å; F322-F330 AromaticContact CZ-CZ 3.97Å; F322-F330 HydrophobicContact CZ-CZ 3.97Å; F322-Y344 HydrophobicContact CE2-CD1 4.3Å; F322-Y344 HydrophobicContact CE2-CE1 4.45Å; F322-Q382 HydrophobicContact CB-CG 4.33Å; F322-Y384 HydrophobicContact CE1-CD1 4.2Å; F322-Y384 AromaticContact CE1-CD2 3.81Å; F322-Y384 HydrophobicContact CE1-CD2 3.81Å; F322-Y384 HydrophobicContact CE1-CE2 4.13Å; F322-Y384 AromaticContact CE1-CG 3.82Å; F322-Y384 HydrophobicContact CE1-CG 3.82Å; F322-Y384 HydrophobicContact CE2-CE1 4.46Å; F322-Y384 AromaticContact CZ-CD1 3.71Å; F322-Y384 HydrophobicContact CZ-CD1 3.71Å; F322-Y384 AromaticContact CZ-CD2 3.84Å; F322-Y384 HydrophobicContact CZ-CD2 3.84Å; F322-Y384 AromaticContact CZ-CE1 3.69Å; F322-Y384 HydrophobicContact CZ-CE1 3.69Å; F322-Y384 AromaticContact CZ-CE2 3.77Å; F322-Y384 HydrophobicContact CZ-CE2 3.77Å; F322-Y384 AromaticContact CZ-CG 3.78Å; F322-Y384 HydrophobicContact CZ-CG 3.78Å; F322-Y384 AromaticContact CZ-CZ 3.7Å; F322-T411 HydrophobicContact CD1-CG2 4.15Å; F322-T411 PolarHBondContact O-OG1 2.79Å; F322-V439 HydrophobicContact CD1-CG2 4.21Å; F322-V439 HydrophobicContact CE1-CG2 4.01Å; F322-I450 HydrophobicContact CE2-CD1 3.67Å; F322-I450 HydrophobicContact CZ-CD1 4.08Å
323	D	95.6	Very high	97.5	Very high	80 Å²	80	29.7 Å²	29.7	43%	0.428	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.4	51.9	-171	-175.2	41.7	0	0	0	111.2	K319 R325	K319-D323 WeakPolarHBondContact O-CA 3.4Å; K319-D323 PolarHBondContact O-N 2.83Å; D323-R325 IonicContact OD1-NE 2.84Å; D323-R325 IonicContact OD2-CZ 2.84Å; D323-R325 VanDerWaalsContact OD2-CZ 3.31Å; D323-R325 IonicContact OD2-NE 3.87Å; D323-R325 PolarHBondContact OD2-NE 2.83Å; D323-R325 VanDerWaalsContact OD2-NE 3.13Å; D323-R325 IonicContact OD2-NH2 3.72Å; D323-R325 PolarHBondContact OD2-NH2 3.24Å
324	H	96.8	Very high	97	Very high	18 Å²	18	30.9 Å²	30.9	8%	0.083	18%	0.18	C	C	.	.			trans	-71.3	132.5	-177.7	177.1	75.3	0	0	0	110.7	H318 K319 F322 D328 A354	H318-H324 AromaticContact CE1-CD2 3.73Å; H318-H324 AromaticContact CE1-CG 3.39Å; H318-H324 AromaticContact CE1-ND1 3.71Å; K319-H324 PolarHBondContact O-N 3.43Å; F322-H324 VanDerWaalsContact C-N 3.26Å; F322-H324 PolarHBondContact O-N 3.41Å; H324-D328 IonicContact ND1-OD2 3.42Å; H324-A354 WeakPolarHBondContact CE1-CB 3.47Å; H324-A354 WeakPolarHBondContact NE2-CB 3.47Å
325	R	95.3	Very high	96.5	Very high	129 Å²	129	31.9 Å²	31.9	49%	0.487	19%	0.185	S	C	.	.			trans	-120.9	148.3	-179.5	-55.4	179.5	-171.3	-179.1	-2.4	110.3	D323 G327 D328	D323-R325 IonicContact OD1-NE 2.84Å; D323-R325 IonicContact OD2-CZ 2.84Å; D323-R325 VanDerWaalsContact OD2-CZ 3.31Å; D323-R325 IonicContact OD2-NE 3.87Å; D323-R325 PolarHBondContact OD2-NE 2.83Å; D323-R325 VanDerWaalsContact OD2-NE 3.13Å; D323-R325 IonicContact OD2-NH2 3.72Å; D323-R325 PolarHBondContact OD2-NH2 3.24Å; R325-G327 PolarHBondContact O-N 3.1Å; R325-D328 WeakPolarHBondContact CB-OD2 3.27Å; R325-D328 PolarHBondContact N-OD2 3.33Å; R325-D328 VanDerWaalsContact O-CB 3.27Å; R325-D328 WeakPolarHBondContact O-CB 3.36Å; R325-D328 PolarHBondContact O-N 3.26Å
326	P	94.7	Very high	96.2	Very high	133 Å²	133	31.9 Å²	31.9	86%	0.864	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.6	129.7	174.7	-26.8	35.1	0	0	0	111.9
327	G	94.3	Very high	95.6	Very high	72 Å²	72	32.1 Å²	32.1	74%	0.742	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	92.3	-6.4	-177.3	0	0	0	0	0	114.8	R325	R325-G327 PolarHBondContact O-N 3.1Å
328	D	97.8	Very high	95	Very high	9 Å²	9	36.3 Å²	36.3	5%	0.048	21%	0.205	C	C	.	.			trans	-70.2	149.1	173.6	-71	-22.1	0	0	0	113.1	H324 R325 N381 Q382 R410	H324-D328 IonicContact ND1-OD2 3.42Å; R325-D328 WeakPolarHBondContact CB-OD2 3.27Å; R325-D328 PolarHBondContact N-OD2 3.33Å; R325-D328 VanDerWaalsContact O-CB 3.27Å; R325-D328 WeakPolarHBondContact O-CB 3.36Å; R325-D328 PolarHBondContact O-N 3.26Å; D328-N381 WeakPolarHBondContact CA-OD1 3.44Å; D328-N381 HydrophobicContact CB-CB 4.11Å; D328-Q382 PolarHBondContact OD2-NE2 2.98Å; D328-R410 IonicContact OD1-CZ 2.73Å; D328-R410 IonicContact OD1-NH1 3.27Å; D328-R410 PolarHBondContact OD1-NH1 3.07Å; D328-R410 IonicContact OD1-NH2 3.86Å; D328-R410 PolarHBondContact OD1-NH2 3.5Å; D328-R410 IonicContact OD2-CZ 2.79Å; D328-R410 IonicContact OD2-NH2 3.71Å; D328-R410 PolarHBondContact OD2-NH2 3.42Å
329	I	98.8	Very high	94.8	Very high	30 Å²	30	36.8 Å²	36.8	15%	0.154	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	112.4	171.6	-60.2	173.6	0	0	0	108.9	I128 T355 V357 L378 I380 N381 Q382	I128-I329 HydrophobicContact CD1-CD1 4.2Å; I128-I329 HydrophobicContact CD1-CG2 4.11Å; I329-T355 HydrophobicContact CG1-CG2 4.21Å; I329-T355 HydrophobicContact CG2-CG2 4.41Å; I329-V357 HydrophobicContact CG2-CG2 3.61Å; I329-L378 WeakPolarHBondContact CD1-O 3.38Å; I329-I380 HydrophobicContact CG2-CG1 4.12Å; I329-N381 PolarHBondContact N-OD1 3.03Å; I329-N381 PolarHBondContact O-N 2.85Å; I329-Q382 PolarHBondContact O-N 3.45Å
330	F	98.8	Very high	94.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	112.5	-179.2	-167.6	-103	0	0	0	111	H318 F322 C332 Y344 P349 T355 V357 Q382 Y384	H318-F330 AromaticContact CD2-CE2 3.94Å; H318-F330 AromaticContact CD2-CZ 3.95Å; H318-F330 AromaticContact NE2-CD1 3.93Å; H318-F330 AromaticContact NE2-CD2 3.53Å; H318-F330 AromaticContact NE2-CE2 3.94Å; H318-F330 AromaticContact NE2-CG 3.56Å; F322-F330 HydrophobicContact CB-CE2 3.96Å; F322-F330 AromaticContact CD1-CE2 3.63Å; F322-F330 HydrophobicContact CD1-CE2 3.63Å; F322-F330 HydrophobicContact CD1-CZ 4.02Å; F322-F330 AromaticContact CD2-CE2 3.96Å; F322-F330 HydrophobicContact CD2-CE2 3.96Å; F322-F330 HydrophobicContact CD2-CZ 4.04Å; F322-F330 HydrophobicContact CE1-CE2 4.06Å; F322-F330 AromaticContact CE1-CZ 3.98Å; F322-F330 HydrophobicContact CE1-CZ 3.98Å; F322-F330 HydrophobicContact CE2-CE2 4.36Å; F322-F330 AromaticContact CE2-CZ 3.99Å; F322-F330 HydrophobicContact CE2-CZ 3.99Å; F322-F330 AromaticContact CG-CE2 3.57Å; F322-F330 HydrophobicContact CG-CE2 3.57Å; F322-F330 HydrophobicContact CG-CZ 4.04Å; F322-F330 HydrophobicContact CZ-CE2 4.4Å; F322-F330 AromaticContact CZ-CZ 3.97Å; F322-F330 HydrophobicContact CZ-CZ 3.97Å; F330-C332 HydrophobicContact CD1-CB 4.1Å; F330-C332 HydrophobicContact CE1-CB 3.62Å; F330-C332 HydrophobicContact CZ-CB 4.49Å; F330-Y344 WeakPolarHBondContact CD1-O 3.34Å; F330-Y344 WeakPolarHBondContact CE1-O 3.33Å; F330-P349 HydrophobicContact CD1-CG 3.86Å; F330-P349 HydrophobicContact CE1-CG 4.32Å; F330-T355 PolarHBondContact N-O 3.09Å; F330-V357 PolarHBondContact O-N 3.31Å; F330-Q382 HydrophobicContact CD2-CB 3.54Å; F330-Q382 HydrophobicContact CD2-CG 4.18Å; F330-Q382 HydrophobicContact CE2-CB 3.72Å; F330-Q382 HydrophobicContact CE2-CG 4.43Å; F330-Y384 HydrophobicContact CZ-CD1 4.19Å; F330-Y384 HydrophobicContact CZ-CG 4.49Å
331	G	98.3	Very high	94.7	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	74.5	-177.2	0	0	0	0	0	113.3	Q382 Y384	G331-Q382 WeakPolarHBondContact CA-O 3.39Å; G331-Q382 PolarHBondContact N-O 3.03Å; G331-Y384 PolarHBondContact O-N 3.29Å
332	C	97.8	Very high	94.7	Very high	1 Å²	1	32 Å²	32	1%	0.007	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	115.8	168	-177	0	0	0	0	110.6	F330 A334 Y344 V345 Y384	F330-C332 HydrophobicContact CD1-CB 4.1Å; F330-C332 HydrophobicContact CE1-CB 3.62Å; F330-C332 HydrophobicContact CZ-CB 4.49Å; C332-A334 VanDerWaalsContact C-N 3.26Å; C332-A334 PolarHBondContact O-N 2.92Å; C332-Y344 WeakPolarHBondContact CB-O 3.46Å; C332-V345 HydrophobicContact CB-CG2 3.75Å; C332-Y384 WeakPolarHBondContact CA-O 3.21Å; C332-Y384 HydrophobicContact CB-CD1 4.16Å; C332-Y384 VanDerWaalsContact SG-CD1 3.59Å
333	V	94.6	Very high	94.8	Very high	26 Å²	26	31.9 Å²	31.9	16%	0.158	19%	0.185	C	C	.	.			trans	-91.5	17.2	-176.5	-60.9	0	0	0	0	113.1	F359 Y371 F383 Y384	V333-F359 HydrophobicContact CB-CB 4.27Å; V333-F359 HydrophobicContact CB-CD1 4.35Å; V333-F359 HydrophobicContact CB-CG 4.43Å; V333-F359 HydrophobicContact CG1-CB 4.02Å; V333-F359 HydrophobicContact CG1-CD1 4.41Å; V333-F359 HydrophobicContact CG1-CG 4.11Å; V333-Y371 HydrophobicContact CB-CE1 4.21Å; V333-Y371 HydrophobicContact CG1-CD1 4.43Å; V333-Y371 HydrophobicContact CG1-CE1 4.06Å; V333-Y371 HydrophobicContact CG2-CE1 4.29Å; V333-Y371 HydrophobicContact CG2-CE2 4.25Å; V333-F383 HydrophobicContact CG1-CE2 3.79Å; V333-F383 HydrophobicContact CG1-CZ 4.35Å; V333-F383 HydrophobicContact CG2-CE2 4.29Å; V333-F383 HydrophobicContact CG2-CZ 4.02Å; V333-Y384 PolarHBondContact N-O 3.25Å
334	A	88	Confident	94.9	Very high	25 Å²	25	28.1 Å²	28.1	21%	0.207	17%	0.165	C	C	.	.			trans	-78.3	152.3	177.4	0	0	0	0	0	111.7	C332 T340	C332-A334 VanDerWaalsContact C-N 3.26Å; C332-A334 PolarHBondContact O-N 2.92Å; A334-T340 HydrophobicContact CB-CG2 3.53Å
335	D	88.8	Confident	95	Very high	22 Å²	22	27.2 Å²	27.2	12%	0.118	16%	0.161	C	C	.	.			trans	-81	142.4	174	-172.9	-74.9	0	0	0	110.9	F195 G337 W338	F195-D335 HydrophobicContact CD2-CB 4.38Å; F195-D335 WeakPolarHBondContact CD2-OD1 3.41Å; F195-D335 HydrophobicContact CE2-CB 4.12Å; D335-G337 PolarHBondContact O-N 3.08Å; D335-G337 WeakPolarHBondContact OD1-CA 3.49Å; D335-G337 PolarHBondContact OD1-N 3.31Å; D335-W338 PolarHBondContact O-N 3.45Å; D335-W338 VanDerWaalsContact O-N 3.16Å
336	I	92.2	Very high	95.2	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-15.2	180	57.8	167.2	0	0	0	114	V173 A177 V193 W338 H342 V345 V346	V173-I336 HydrophobicContact CB-CG1 4.28Å; V173-I336 HydrophobicContact CB-CG2 4.31Å; V173-I336 HydrophobicContact CG2-CG2 3.81Å; A177-I336 HydrophobicContact CB-CD1 3.32Å; V193-I336 HydrophobicContact CG1-CD1 4.4Å; V193-I336 HydrophobicContact CG1-CG1 4.25Å; I336-W338 PolarHBondContact O-N 2.91Å; I336-H342 PolarHBondContact O-CE1 2.92Å; I336-H342 PolarHBondContact O-ND1 3.16Å; I336-V345 HydrophobicContact CG2-CB 4.4Å; I336-V345 HydrophobicContact CG2-CG1 4.18Å; I336-V346 HydrophobicContact CG2-CG2 4.17Å
337	G	86.7	Confident	95.4	Very high	10 Å²	10	14.8 Å²	14.8	10%	0.103	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-0.6	170.1	0	0	0	0	0	114.3	D335	D335-G337 PolarHBondContact O-N 3.08Å; D335-G337 WeakPolarHBondContact OD1-CA 3.49Å; D335-G337 PolarHBondContact OD1-N 3.31Å
338	W	85.3	Confident	95.6	Very high	87 Å²	87	11.3 Å²	11.3	33%	0.33	6%	0.061	S	C	.	.	S	Bend	trans	-120.1	162.2	175.3	-59.5	81.6	0	0	0	110.8	F195 D335 I336 T340 G341 H342 S639	F195-W338 AromaticContact CD2-NE1 3.86Å; D335-W338 PolarHBondContact O-N 3.45Å; D335-W338 VanDerWaalsContact O-N 3.16Å; I336-W338 PolarHBondContact O-N 2.91Å; W338-T340 PolarHBondContact O-N 3.5Å; W338-G341 PolarHBondContact O-N 3Å; W338-G341 VanDerWaalsContact O-N 3.09Å; W338-H342 PolarHBondContact O-N 3.25Å; W338-H342 PolarHBondContact O-ND1 2.86Å; W338-S639 WeakPolarHBondContact CH2-OG 3.47Å; W338-S639 VanDerWaalsContact CZ2-OG 3.29Å; W338-S639 WeakPolarHBondContact CZ2-OG 3.41Å
339	I	95.4	Very high	95.6	Very high	10 Å²	10	10.9 Å²	10.9	5%	0.051	6%	0.059	C	C	.	.	H	α-helix	trans	-62.1	-33.8	-178.6	-167.4	67.9	0	0	0	111.9	F289 L291 Y310 G341 H342 S343 W443 T445	F289-I339 HydrophobicContact CE2-CD1 4.16Å; F289-I339 HydrophobicContact CZ-CD1 3.94Å; L291-I339 HydrophobicContact CD2-CB 3.75Å; L291-I339 HydrophobicContact CD2-CD1 3.99Å; L291-I339 HydrophobicContact CD2-CG1 4.48Å; Y310-I339 HydrophobicContact CE2-CD1 4.3Å; I339-G341 VanDerWaalsContact C-N 3.28Å; I339-G341 PolarHBondContact O-N 3.44Å; I339-H342 HydrophobicContact CD1-CB 4.34Å; I339-H342 WeakPolarHBondContact O-CB 3.42Å; I339-H342 PolarHBondContact O-N 3.32Å; I339-H342 VanDerWaalsContact O-N 3.11Å; I339-S343 PolarHBondContact O-N 3.02Å; I339-S343 PolarHBondContact O-OG 2.9Å; I339-W443 HydrophobicContact CB-CH2 4.38Å; I339-W443 HydrophobicContact CB-CZ3 4.34Å; I339-W443 HydrophobicContact CG1-CH2 4.06Å; I339-W443 HydrophobicContact CG1-CZ3 3.64Å; I339-W443 HydrophobicContact CG2-CE3 4.49Å; I339-W443 HydrophobicContact CG2-CH2 3.83Å; I339-W443 HydrophobicContact CG2-CZ2 4.42Å; I339-W443 HydrophobicContact CG2-CZ3 3.89Å; I339-T445 HydrophobicContact CB-CG2 4.32Å; I339-T445 HydrophobicContact CD1-CG2 4.48Å
340	T	96.3	Very high	95.6	Very high	18 Å²	18	9.5 Å²	9.5	11%	0.11	5%	0.052	C	C	.	.	H	α-helix	trans	-57.1	-42.4	174.8	-49.3	0	0	0	0	111.8	A334 W338 Y344 V345 Y384 V415 W443	A334-T340 HydrophobicContact CB-CG2 3.53Å; W338-T340 PolarHBondContact O-N 3.5Å; T340-Y344 HydrophobicContact CG2-CD2 4.43Å; T340-Y344 WeakPolarHBondContact O-CA 3.37Å; T340-Y344 WeakPolarHBondContact O-CB 3.25Å; T340-Y344 PolarHBondContact O-N 2.9Å; T340-V345 PolarHBondContact O-N 2.75Å; T340-Y384 HydrophobicContact CG2-CD1 4.27Å; T340-Y384 HydrophobicContact CG2-CE1 3.78Å; T340-V415 HydrophobicContact CG2-CG1 4.04Å; T340-V415 HydrophobicContact CG2-CG2 4.43Å; T340-W443 HydrophobicContact CG2-CZ2 4.2Å
341	G	96.9	Very high	95.6	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.054	C	C	.	.	I	π-helix	trans	-70.2	-36.4	176.3	0	0	0	0	0	112.8	W338 I339 V345 V346	W338-G341 PolarHBondContact O-N 3Å; W338-G341 VanDerWaalsContact O-N 3.09Å; I339-G341 VanDerWaalsContact C-N 3.28Å; I339-G341 PolarHBondContact O-N 3.44Å; G341-V345 WeakPolarHBondContact O-CA 3.25Å; G341-V345 WeakPolarHBondContact O-CB 3.45Å; G341-V345 PolarHBondContact O-N 3.16Å; G341-V346 PolarHBondContact O-N 3.43Å
342	H	98.7	Very high	95.6	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.065	C	C	.	.	I	π-helix	trans	-61	-57.2	173.4	-70.9	59.8	0	0	0	111.2	M181 H191 F289 Y310 I336 W338 I339 Y347	M181-H342 HydrophobicContact CE-CB 4.48Å; H191-H342 AromaticContact CE1-CD2 3.8Å; H191-H342 AromaticContact CE1-NE2 3.67Å; F289-H342 AromaticContact CD2-CD2 3.76Å; F289-H342 AromaticContact CD2-NE2 3.99Å; F289-H342 AromaticContact CE2-CD2 3.73Å; Y310-H342 WeakPolarHBondContact OH-CB 3.09Å; I336-H342 PolarHBondContact O-CE1 2.92Å; I336-H342 PolarHBondContact O-ND1 3.16Å; W338-H342 PolarHBondContact O-N 3.25Å; W338-H342 PolarHBondContact O-ND1 2.86Å; I339-H342 HydrophobicContact CD1-CB 4.34Å; I339-H342 WeakPolarHBondContact O-CB 3.42Å; I339-H342 PolarHBondContact O-N 3.32Å; I339-H342 VanDerWaalsContact O-N 3.11Å; H342-Y347 HydrophobicContact CB-CD2 4.32Å; H342-Y347 HydrophobicContact CB-CE2 4.5Å; H342-Y347 VanDerWaalsContact O-CD2 3.24Å; H342-Y347 WeakPolarHBondContact O-CD2 3.44Å; H342-Y347 PolarHBondContact O-N 3.01Å
343	S	98.9	Very high	95.7	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	8%	0.079	C	C	.	.	I	π-helix	trans	-76.6	-36.2	-170.5	-53.1	0	0	0	0	112.7	Y310 I339 G348 G448	Y310-S343 WeakPolarHBondContact OH-CA 3.32Å; Y310-S343 PolarHBondContact OH-N 3.25Å; Y310-S343 PolarHBondContact OH-OG 3.42Å; I339-S343 PolarHBondContact O-N 3.02Å; I339-S343 PolarHBondContact O-OG 2.9Å; S343-G348 VanDerWaalsContact O-CA 3.3Å; S343-G348 WeakPolarHBondContact O-CA 3.31Å; S343-G348 PolarHBondContact O-N 2.83Å; S343-G448 PolarHBondContact OG-O 2.91Å
344	Y	98.8	Very high	95.8	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.072	C	C	.	.	I	π-helix	trans	-122.8	-3.5	-168.9	-55.5	-61.1	0	0	0	115.3	T317 H318 F322 F330 C332 T340 P349 Y384 W443 G449 I450	T317-Y344 PolarHBondContact OG1-OH 2.88Å; H318-Y344 HydrophobicContact CB-CD1 4.11Å; H318-Y344 HydrophobicContact CB-CE1 4.15Å; F322-Y344 HydrophobicContact CE2-CD1 4.3Å; F322-Y344 HydrophobicContact CE2-CE1 4.45Å; F330-Y344 WeakPolarHBondContact CD1-O 3.34Å; F330-Y344 WeakPolarHBondContact CE1-O 3.33Å; C332-Y344 WeakPolarHBondContact CB-O 3.46Å; T340-Y344 HydrophobicContact CG2-CD2 4.43Å; T340-Y344 WeakPolarHBondContact O-CA 3.37Å; T340-Y344 WeakPolarHBondContact O-CB 3.25Å; T340-Y344 PolarHBondContact O-N 2.9Å; Y344-P349 VanDerWaalsContact O-CG 3.25Å; Y344-P349 WeakPolarHBondContact O-CG 3.43Å; Y344-Y384 AromaticContact CD2-CE1 3.73Å; Y344-Y384 HydrophobicContact CD2-CE1 3.73Å; Y344-Y384 HydrophobicContact CE2-CE1 4.48Å; Y344-Y384 HydrophobicContact CG-CE1 4.01Å; Y344-W443 AromaticContact CD2-CH2 3.54Å; Y344-W443 HydrophobicContact CD2-CH2 3.54Å; Y344-W443 AromaticContact CD2-CZ2 3.46Å; Y344-W443 HydrophobicContact CD2-CZ2 3.46Å; Y344-W443 VanDerWaalsContact CD2-CZ2 3.46Å; Y344-W443 HydrophobicContact CD2-CZ3 4.48Å; Y344-W443 HydrophobicContact CE2-CD2 4.27Å; Y344-W443 AromaticContact CE2-CE2 3.69Å; Y344-W443 HydrophobicContact CE2-CE3 4.31Å; Y344-W443 AromaticContact CE2-CH2 3.23Å; Y344-W443 HydrophobicContact CE2-CH2 3.23Å; Y344-W443 AromaticContact CE2-CZ2 3.2Å; Y344-W443 HydrophobicContact CE2-CZ2 3.2Å; Y344-W443 AromaticContact CE2-CZ3 3.81Å; Y344-W443 HydrophobicContact CE2-CZ3 3.81Å; Y344-G449 VanDerWaalsContact OH-CA 3.26Å; Y344-G449 WeakPolarHBondContact OH-CA 3.4Å; Y344-I450 HydrophobicContact CE1-CD1 4.05Å; Y344-I450 HydrophobicContact CE2-CD1 3.82Å; Y344-I450 HydrophobicContact CE2-CG1 3.8Å; Y344-I450 VanDerWaalsContact CZ-CD1 3.5Å; Y344-I450 WeakPolarHBondContact OH-CD1 3.47Å; Y344-I450 WeakPolarHBondContact OH-CG1 3.26Å; Y344-I450 PolarHBondContact OH-N 2.85Å
345	V	98.6	Very high	96.3	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.069	C	C	.	.	I	π-helix	trans	-98.1	-36.8	161.8	177.1	0	0	0	0	110.3	V173 C332 I336 T340 G341 S356 L358	V173-V345 HydrophobicContact CG2-CG1 4.34Å; C332-V345 HydrophobicContact CB-CG2 3.75Å; I336-V345 HydrophobicContact CG2-CB 4.4Å; I336-V345 HydrophobicContact CG2-CG1 4.18Å; T340-V345 PolarHBondContact O-N 2.75Å; G341-V345 WeakPolarHBondContact O-CA 3.25Å; G341-V345 WeakPolarHBondContact O-CB 3.45Å; G341-V345 PolarHBondContact O-N 3.16Å; V345-S356 WeakPolarHBondContact O-CB 3.13Å; V345-S356 PolarHBondContact O-OG 2.86Å; V345-L358 HydrophobicContact CG1-CD2 3.23Å
346	V	98.9	Very high	96.8	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.063	C	C	.	.	I	π-helix	trans	-107.6	-77.5	-173.3	-175.8	0	0	0	0	112.6	V178 M181 L182 I336 G341 L350	V178-V346 HydrophobicContact CG1-CG1 4.04Å; V178-V346 HydrophobicContact CG1-CG2 4.34Å; V178-V346 HydrophobicContact CG2-CG2 3.9Å; M181-V346 HydrophobicContact CE-CB 4.21Å; M181-V346 HydrophobicContact CE-CG1 4.25Å; M181-V346 HydrophobicContact CE-CG2 4.06Å; M181-V346 HydrophobicContact SD-CG2 3.97Å; L182-V346 HydrophobicContact CD2-CG1 4.49Å; I336-V346 HydrophobicContact CG2-CG2 4.17Å; G341-V346 PolarHBondContact O-N 3.43Å; V346-L350 HydrophobicContact CG1-CD1 4.07Å; V346-L350 WeakPolarHBondContact O-CB 3.27Å; V346-L350 WeakPolarHBondContact O-CG 3.37Å; V346-L350 PolarHBondContact O-N 2.94Å; V346-L350 VanDerWaalsContact O-N 3.09Å
347	Y	98.9	Very high	97.1	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.064	C	C	.	.	I	π-helix	trans	-71.1	-50.9	-159.5	-70.6	-64	0	0	0	114.3	V109 M181 L182 H191 L288 F289 Y310 L311 H342 C351	V109-Y347 HydrophobicContact CG1-CD1 3.69Å; V109-Y347 HydrophobicContact CG1-CE1 3.45Å; V109-Y347 VanDerWaalsContact CG1-CE1 3.45Å; M181-Y347 HydrophobicContact CE-CE2 3.8Å; L182-Y347 HydrophobicContact CD2-CE1 4.08Å; H191-Y347 AromaticContact NE2-CZ 3.87Å; H191-Y347 PolarHBondContact NE2-OH 3.27Å; L288-Y347 HydrophobicContact CD2-CE1 4.37Å; L288-Y347 HydrophobicContact CD2-CE2 4.45Å; F289-Y347 HydrophobicContact CD1-CE2 4.38Å; F289-Y347 HydrophobicContact CE1-CE2 4.44Å; Y310-Y347 AromaticContact CE1-CD2 3.47Å; Y310-Y347 HydrophobicContact CE1-CD2 3.47Å; Y310-Y347 VanDerWaalsContact CE1-CD2 3.47Å; Y310-Y347 HydrophobicContact CE1-CE2 4.05Å; Y310-Y347 AromaticContact CE1-CG 3.87Å; Y310-Y347 HydrophobicContact CE1-CG 3.87Å; L311-Y347 HydrophobicContact CD1-CD1 4.35Å; H342-Y347 HydrophobicContact CB-CD2 4.32Å; H342-Y347 HydrophobicContact CB-CE2 4.5Å; H342-Y347 VanDerWaalsContact O-CD2 3.24Å; H342-Y347 WeakPolarHBondContact O-CD2 3.44Å; H342-Y347 PolarHBondContact O-N 3.01Å; Y347-C351 WeakPolarHBondContact O-CB 3.42Å; Y347-C351 PolarHBondContact O-N 2.88Å
348	G	98.8	Very high	97.7	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-60.7	-53.8	-178.8	0	0	0	0	0	113.1	S343 N352	S343-G348 VanDerWaalsContact O-CA 3.3Å; S343-G348 WeakPolarHBondContact O-CA 3.31Å; S343-G348 PolarHBondContact O-N 2.83Å; G348-N352 PolarHBondContact O-N 3.09Å; G348-N352 PolarHBondContact O-ND2 2.94Å
349	P	98.8	Very high	98.3	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-61.2	-48.8	177.2	-23	31.7	0	0	0	113.1	F330 Y344 C351 N352 G353 A354	F330-P349 HydrophobicContact CD1-CG 3.86Å; F330-P349 HydrophobicContact CE1-CG 4.32Å; Y344-P349 VanDerWaalsContact O-CG 3.25Å; Y344-P349 WeakPolarHBondContact O-CG 3.43Å; P349-C351 PolarHBondContact O-N 3.1Å; P349-N352 CarbonylContact O-C 3.56Å; P349-N352 PolarHBondContact O-N 2.69Å; P349-N352 VanDerWaalsContact O-N 3.09Å; P349-G353 PolarHBondContact O-N 2.92Å; P349-A354 HydrophobicContact CB-CB 3.89Å; P349-A354 VanDerWaalsContact O-CB 3.27Å; P349-A354 WeakPolarHBondContact O-CB 3.46Å; P349-A354 PolarHBondContact O-N 2.85Å
350	L	98.9	Very high	98.3	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-68	-35.2	-176.9	-65.5	177.9	0	0	0	112.4	C113 H117 A126 L127 Y142 L145 V178 L182 V346 N352 G353	C113-L350 HydrophobicContact CB-CB 3.94Å; H117-L350 PolarHBondContact CD2-O 3.12Å; H117-L350 PolarHBondContact NE2-O 2.83Å; A126-L350 HydrophobicContact CB-CD2 4.1Å; L127-L350 HydrophobicContact CD2-CD2 4.18Å; Y142-L350 HydrophobicContact CE1-CD2 4.12Å; L145-L350 HydrophobicContact CD2-CD1 4.27Å; L145-L350 HydrophobicContact CD2-CD2 4.43Å; V178-L350 HydrophobicContact CG1-CD1 3.95Å; L182-L350 HydrophobicContact CD1-CD1 3.93Å; V346-L350 HydrophobicContact CG1-CD1 4.07Å; V346-L350 WeakPolarHBondContact O-CB 3.27Å; V346-L350 WeakPolarHBondContact O-CG 3.37Å; V346-L350 PolarHBondContact O-N 2.94Å; V346-L350 VanDerWaalsContact O-N 3.09Å; L350-N352 PolarHBondContact O-N 3.37Å; L350-G353 PolarHBondContact O-N 3.26Å; L350-G353 VanDerWaalsContact O-N 3.14Å
351	C	98.7	Very high	98.3	Very high	7 Å²	7	5.9 Å²	5.9	5%	0.047	4%	0.04	C	C	.	.	H	α-helix	trans	-60.2	-37.2	172.4	-169.1	0	0	0	0	111.7	H117 L311 A315 Y347 P349 G353	H117-C351 PolarHBondContact CE1-O 3.39Å; H117-C351 PolarHBondContact NE2-O 3.42Å; H117-C351 VanDerWaalsContact NE2-O 3.08Å; L311-C351 HydrophobicContact CD1-CB 3.86Å; L311-C351 HydrophobicContact CG-CB 4.48Å; A315-C351 HydrophobicContact CB-CB 3.98Å; Y347-C351 WeakPolarHBondContact O-CB 3.42Å; Y347-C351 PolarHBondContact O-N 2.88Å; P349-C351 PolarHBondContact O-N 3.1Å; C351-G353 VanDerWaalsContact C-N 3.3Å; C351-G353 PolarHBondContact O-N 2.77Å
352	N	98.6	Very high	97.9	Very high	42 Å²	42	7.4 Å²	7.4	23%	0.225	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-2.5	178	-74.8	-58.6	0	0	0	114.4	A315 H318 G348 P349 L350 A354	A315-N352 PolarHBondContact O-ND2 2.86Å; H318-N352 PolarHBondContact ND1-ND2 2.79Å; G348-N352 PolarHBondContact O-N 3.09Å; G348-N352 PolarHBondContact O-ND2 2.94Å; P349-N352 CarbonylContact O-C 3.56Å; P349-N352 PolarHBondContact O-N 2.69Å; P349-N352 VanDerWaalsContact O-N 3.09Å; L350-N352 PolarHBondContact O-N 3.37Å; N352-A354 VanDerWaalsContact C-N 3.33Å
353	G	98.1	Very high	97.5	Very high	31 Å²	31	8.3 Å²	8.3	32%	0.32	6%	0.055	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.5	18.8	-177.3	0	0	0	0	0	113.9	H117 Y142 P349 L350 C351	H117-G353 VanDerWaalsContact CE1-CA 3.5Å; H117-G353 WeakPolarHBondContact CE1-CA 3.38Å; H117-G353 PolarHBondContact CE1-N 2.86Å; H117-G353 PolarHBondContact NE2-N 2.81Å; Y142-G353 WeakPolarHBondContact OH-CA 3.31Å; P349-G353 PolarHBondContact O-N 2.92Å; L350-G353 PolarHBondContact O-N 3.26Å; L350-G353 VanDerWaalsContact O-N 3.14Å; C351-G353 VanDerWaalsContact C-N 3.3Å; C351-G353 PolarHBondContact O-N 2.77Å
354	A	98.3	Very high	97.2	Very high	1 Å²	1	10.4 Å²	10.4	1%	0.008	7%	0.068	C	C	.	.	P	Polyproline II helix	trans	-78.6	156.4	-176.6	0	0	0	0	0	113	Y142 H324 P349 N352	Y142-A354 PolarHBondContact OH-N 3.33Å; Y142-A354 PolarHBondContact OH-O 3.06Å; Y142-A354 VanDerWaalsContact OH-O 3.05Å; H324-A354 WeakPolarHBondContact CE1-CB 3.47Å; H324-A354 WeakPolarHBondContact NE2-CB 3.47Å; P349-A354 HydrophobicContact CB-CB 3.89Å; P349-A354 VanDerWaalsContact O-CB 3.27Å; P349-A354 WeakPolarHBondContact O-CB 3.46Å; P349-A354 PolarHBondContact O-N 2.85Å; N352-A354 VanDerWaalsContact C-N 3.33Å
355	T	98.9	Very high	97	Very high	21 Å²	21	13.2 Å²	13.2	13%	0.129	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	118.2	163.2	-57	0	0	0	0	109.3	V125 A126 I128 I329 F330	V125-T355 HydrophobicContact CB-CG2 4.24Å; V125-T355 HydrophobicContact CG1-CG2 3.9Å; V125-T355 WeakPolarHBondContact O-CB 3.27Å; V125-T355 PolarHBondContact O-OG1 3.14Å; A126-T355 WeakPolarHBondContact O-CA 3.44Å; I128-T355 HydrophobicContact CD1-CG2 3.7Å; I128-T355 HydrophobicContact CG1-CG2 3.65Å; I329-T355 HydrophobicContact CG1-CG2 4.21Å; I329-T355 HydrophobicContact CG2-CG2 4.41Å; F330-T355 PolarHBondContact N-O 3.09Å
356	S	98.8	Very high	96.8	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	135.8	178	-172.7	0	0	0	0	111.8	A126 L127 I128 V345	A126-S356 PolarHBondContact O-N 3.34Å; L127-S356 CarbonylContact C-O 3.5Å; L127-S356 VanDerWaalsContact CA-O 3.32Å; L127-S356 WeakPolarHBondContact CA-O 3.26Å; I128-S356 PolarHBondContact N-O 3.43Å; V345-S356 WeakPolarHBondContact O-CB 3.13Å; V345-S356 PolarHBondContact O-OG 2.86Å
357	V	98.8	Very high	96.7	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.012	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	127.8	174.9	-176.9	0	0	0	0	110.1	I128 E130 I329 F330 L378 I380	I128-V357 HydrophobicContact CB-CG2 4.46Å; I128-V357 CarbonylContact O-C 3.57Å; I128-V357 WeakPolarHBondContact O-CA 3.46Å; E130-V357 HydrophobicContact CB-CG1 4.28Å; I329-V357 HydrophobicContact CG2-CG2 3.61Å; F330-V357 PolarHBondContact O-N 3.31Å; V357-L378 HydrophobicContact CG1-CD1 4.12Å; V357-L378 HydrophobicContact CG2-CD1 4.37Å; V357-I380 HydrophobicContact CG2-CD1 4.15Å; V357-I380 HydrophobicContact CG2-CG1 4.23Å
358	L	98.6	Very high	96.5	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	101.5	171.9	-55.4	-171.3	0	0	0	108.5	L127 I128 W129 E130 V173 S174 P175 V178 V345	L127-L358 HydrophobicContact CB-CD1 4.32Å; L127-L358 HydrophobicContact CB-CG 4.45Å; L127-L358 HydrophobicContact CD1-CD1 4.08Å; L127-L358 HydrophobicContact CD2-CD1 4.33Å; L127-L358 HydrophobicContact CD2-CD2 4.2Å; L127-L358 HydrophobicContact CD2-CG 4.28Å; L127-L358 HydrophobicContact CG-CD1 4.48Å; I128-L358 PolarHBondContact O-N 2.64Å; W129-L358 HydrophobicContact CB-CB 4.45Å; E130-L358 PolarHBondContact N-O 2.86Å; V173-L358 HydrophobicContact CG2-CB 3.91Å; V173-L358 HydrophobicContact CG2-CD2 3.83Å; V173-L358 HydrophobicContact CG2-CG 4.32Å; S174-L358 VanDerWaalsContact C-CD1 3.41Å; P175-L358 HydrophobicContact CG-CD1 4.14Å; V178-L358 HydrophobicContact CG2-CD1 3.92Å; V178-L358 HydrophobicContact CG2-CD2 4.02Å; V345-L358 HydrophobicContact CG1-CD2 3.23Å
359	F	97.5	Very high	96.4	Very high	12 Å²	12	19.3 Å²	19.3	5%	0.053	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	106.2	-177.3	-173.9	-94.7	0	0	0	111.7	E130 V173 V333 S361 R370 Y371	E130-F359 HydrophobicContact CB-CD2 4.15Å; E130-F359 HydrophobicContact CG-CD2 3.78Å; E130-F359 HydrophobicContact CG-CE2 4.07Å; V173-F359 WeakPolarHBondContact CG1-O 3.48Å; V333-F359 HydrophobicContact CB-CB 4.27Å; V333-F359 HydrophobicContact CB-CD1 4.35Å; V333-F359 HydrophobicContact CB-CG 4.43Å; V333-F359 HydrophobicContact CG1-CB 4.02Å; V333-F359 HydrophobicContact CG1-CD1 4.41Å; V333-F359 HydrophobicContact CG1-CG 4.11Å; F359-S361 WeakPolarHBondContact CE1-O 3.47Å; F359-R370 HydrophobicContact CE2-CG 4.07Å; F359-R370 HydrophobicContact CZ-CG 3.76Å; F359-Y371 AromaticContact CD1-CE1 4Å; F359-Y371 HydrophobicContact CD1-CE1 4Å; F359-Y371 HydrophobicContact CE1-CD1 4.13Å; F359-Y371 AromaticContact CE1-CE1 3.47Å; F359-Y371 HydrophobicContact CE1-CE1 3.47Å; F359-Y371 VanDerWaalsContact CE1-CE1 3.47Å; F359-Y371 HydrophobicContact CE2-CD1 4.13Å; F359-Y371 HydrophobicContact CE2-CE1 4.26Å; F359-Y371 AromaticContact CZ-CD1 3.78Å; F359-Y371 HydrophobicContact CZ-CD1 3.78Å; F359-Y371 AromaticContact CZ-CE1 3.6Å; F359-Y371 HydrophobicContact CZ-CE1 3.6Å
360	E	96.1	Very high	96.4	Very high	5 Å²	5	19.5 Å²	19.5	2%	0.023	12%	0.116	C	C	.	.			trans	-81.5	-21.5	-175.3	-171.3	-178	-137.3	0	0	113.4	W129 E130 R131 D132 L222 R252	W129-E360 WeakPolarHBondContact CZ2-OE1 3.31Å; E130-E360 WeakPolarHBondContact O-CB 3.32Å; E130-E360 PolarHBondContact O-N 3.06Å; R131-E360 WeakPolarHBondContact CA-OE2 3.45Å; D132-E360 PolarHBondContact N-OE2 3.1Å; L222-E360 WeakPolarHBondContact O-CG 3.46Å; R252-E360 IonicContact CZ-OE1 3.43Å; R252-E360 IonicContact CZ-OE2 2.9Å; R252-E360 IonicContact NE-OE1 3.17Å; R252-E360 PolarHBondContact NE-OE1 3.08Å; R252-E360 IonicContact NE-OE2 3.48Å; R252-E360 VanDerWaalsContact NH2-CD 3.34Å; R252-E360 IonicContact NH2-OE1 2.74Å; R252-E360 PolarHBondContact NH2-OE1 2.98Å; R252-E360 IonicContact NH2-OE2 3.21Å; R252-E360 PolarHBondContact NH2-OE2 3.31Å
361	S	95.3	Very high	96.3	Very high	3 Å²	3	20.3 Å²	20.3	2%	0.021	12%	0.12	C	C	.	.	S	Bend	trans	-88.7	-157.2	-167.4	-157	0	0	0	0	114.5	D132 F359	D132-S361 PolarHBondContact O-OG 3.35Å; D132-S361 WeakPolarHBondContact OD1-CA 3.45Å; D132-S361 VanDerWaalsContact OD1-CB 3.24Å; D132-S361 WeakPolarHBondContact OD1-CB 3.32Å; D132-S361 PolarHBondContact OD1-OG 3.11Å; F359-S361 WeakPolarHBondContact CE1-O 3.47Å
362	T	90.4	Very high	96.3	Very high	32 Å²	32	20.1 Å²	20.1	20%	0.196	12%	0.118	C	C	.	.			trans	-118	159	170.6	75.5	0	0	0	0	110.1	R223 V364 Y365	R223-T362 HydrophobicContact CG-CG2 3.9Å; T362-V364 PolarHBondContact O-N 3.09Å; T362-Y365 PolarHBondContact O-N 2.81Å; T362-Y365 WeakPolarHBondContact OG1-CB 3.45Å; T362-Y365 PolarHBondContact OG1-N 2.85Å
363	P	89.9	Confident	96.2	Very high	18 Å²	18	19.7 Å²	19.7	12%	0.117	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-16.4	177.4	18	-31.2	0	0	0	115	R370 Y371 A389 L392 L393	P363-R370 WeakPolarHBondContact O-CB 3.27Å; P363-Y371 HydrophobicContact CB-CD1 4.42Å; P363-Y371 HydrophobicContact CB-CD2 4.08Å; P363-Y371 HydrophobicContact CB-CE1 3.97Å; P363-Y371 HydrophobicContact CB-CE2 3.61Å; P363-Y371 HydrophobicContact CB-CG 4.47Å; P363-Y371 HydrophobicContact CG-CE2 4.45Å; P363-A389 HydrophobicContact CG-CB 4.36Å; P363-L392 HydrophobicContact CG-CD2 4.11Å; P363-L393 HydrophobicContact CB-CD1 4.13Å; P363-L393 HydrophobicContact CB-CD2 4.12Å; P363-L393 HydrophobicContact CB-CG 4.23Å
364	V	91.8	Very high	96.2	Very high	44 Å²	44	18.4 Å²	18.4	27%	0.267	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.5	2	-168.9	-62.6	0	0	0	0	113.8	T362 P366 N367 L392 L393 Y396	T362-V364 PolarHBondContact O-N 3.09Å; V364-P366 CarbonylContact O-C 3.53Å; V364-N367 CarbonylContact C-O 3.52Å; V364-N367 VanDerWaalsContact C-O 3.29Å; V364-N367 WeakPolarHBondContact CA-O 3.37Å; V364-N367 CarbonylContact O-C 3.48Å; V364-N367 VanDerWaalsContact O-C 3.23Å; V364-N367 WeakPolarHBondContact O-CA 3.3Å; V364-N367 PolarHBondContact O-N 3.27Å; V364-L392 HydrophobicContact CG1-CD2 3.8Å; V364-L392 HydrophobicContact CG1-CG 4.2Å; V364-L393 HydrophobicContact CG1-CD2 4.21Å; V364-Y396 HydrophobicContact CG1-CE2 3.99Å
365	Y	94	Very high	96.2	Very high	60 Å²	60	18.4 Å²	18.4	24%	0.235	10%	0.1	C	C	.	.	S	Bend	trans	-102.6	125.8	175.3	-178.8	-101.8	0	0	0	110.7	E133 T362 N367 R370	E133-Y365 WeakPolarHBondContact OE1-CE1 3.36Å; E133-Y365 PolarHBondContact OE1-OH 2.89Å; T362-Y365 PolarHBondContact O-N 2.81Å; T362-Y365 WeakPolarHBondContact OG1-CB 3.45Å; T362-Y365 PolarHBondContact OG1-N 2.85Å; Y365-N367 VanDerWaalsContact C-N 3.32Å; Y365-R370 WeakPolarHBondContact O-CB 3.45Å; Y365-R370 WeakPolarHBondContact O-CD 3.14Å; Y365-R370 WeakPolarHBondContact O-CG 3.1Å; Y365-R370 PolarHBondContact O-NE 2.86Å
366	P	96.2	Very high	96.2	Very high	74 Å²	74	20.5 Å²	20.5	48%	0.481	11%	0.109	S	C	.	.	S	Bend	cis	-80.1	-7.3	-2.1	32.8	-36.3	0	0	0	113.5	P134 V364	P134-P366 VanDerWaalsContact CG-CD 3.41Å; P134-P366 HydrophobicContact CG-CG 3.89Å; V364-P366 CarbonylContact O-C 3.53Å
367	N	96.3	Very high	96.2	Very high	50 Å²	50	23.6 Å²	23.6	27%	0.267	12%	0.12	S	C	.	.			trans	-155	173.2	175.5	57.6	71	0	0	0	111.9	V364 Y365 G369 R370 W400	V364-N367 CarbonylContact C-O 3.52Å; V364-N367 VanDerWaalsContact C-O 3.29Å; V364-N367 WeakPolarHBondContact CA-O 3.37Å; V364-N367 CarbonylContact O-C 3.48Å; V364-N367 VanDerWaalsContact O-C 3.23Å; V364-N367 WeakPolarHBondContact O-CA 3.3Å; V364-N367 PolarHBondContact O-N 3.27Å; Y365-N367 VanDerWaalsContact C-N 3.32Å; N367-G369 PolarHBondContact O-N 2.92Å; N367-G369 WeakPolarHBondContact OD1-CA 3.39Å; N367-G369 PolarHBondContact OD1-N 2.88Å; N367-R370 PolarHBondContact O-N 3.19Å; N367-R370 VanDerWaalsContact O-N 3.16Å; N367-W400 HydrophobicContact CB-CE3 4.25Å; N367-W400 HydrophobicContact CB-CH2 3.73Å; N367-W400 HydrophobicContact CB-CZ3 3.52Å; N367-W400 WeakPolarHBondContact OD1-CZ3 3.45Å
368	A	94.4	Very high	96.2	Very high	4 Å²	4	23.7 Å²	23.7	3%	0.033	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	0.5	-179.4	0	0	0	0	0	115.3	L393 Y396 W400	A368-L393 HydrophobicContact CB-CD2 4.06Å; A368-L393 WeakPolarHBondContact O-CD2 3.29Å; A368-Y396 HydrophobicContact CB-CD1 3.72Å; A368-Y396 HydrophobicContact CB-CD2 3.71Å; A368-Y396 HydrophobicContact CB-CE1 4.25Å; A368-Y396 HydrophobicContact CB-CE2 4.25Å; A368-Y396 HydrophobicContact CB-CG 3.41Å; A368-Y396 VanDerWaalsContact CB-CG 3.41Å; A368-W400 HydrophobicContact CB-CB 4.4Å; A368-W400 HydrophobicContact CB-CD2 4.14Å; A368-W400 HydrophobicContact CB-CG 3.98Å
369	G	96.8	Very high	96.1	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-5.3	172	0	0	0	0	0	114.5	N367 Y371 W372 E373 Y404	N367-G369 PolarHBondContact O-N 2.92Å; N367-G369 WeakPolarHBondContact OD1-CA 3.39Å; N367-G369 PolarHBondContact OD1-N 2.88Å; G369-Y371 PolarHBondContact O-N 2.86Å; G369-W372 PolarHBondContact O-N 3.1Å; G369-E373 PolarHBondContact O-N 2.86Å; G369-Y404 WeakPolarHBondContact O-CE2 3.41Å
370	R	97.6	Very high	96.2	Very high	3 Å²	3	27.8 Å²	27.8	1%	0.011	14%	0.139	C	C	.	.	H	α-helix	trans	-56.1	-46.2	-163.4	-176	59.4	163.7	132.8	3.7	114.7	E130 R131 D132 P134 F359 P363 Y365 N367 W372 E373 T374	E130-R370 IonicContact OE1-CZ 3.07Å; E130-R370 IonicContact OE1-NH1 3.95Å; E130-R370 PolarHBondContact OE1-NH1 2.71Å; E130-R370 IonicContact OE1-NH2 3.84Å; E130-R370 PolarHBondContact OE1-NH2 2.96Å; R131-R370 PolarHBondContact O-NH2 3.26Å; D132-R370 PolarHBondContact O-NH2 2.88Å; D132-R370 VanDerWaalsContact O-NH2 3.13Å; P134-R370 VanDerWaalsContact CA-NH1 3.31Å; F359-R370 HydrophobicContact CE2-CG 4.07Å; F359-R370 HydrophobicContact CZ-CG 3.76Å; P363-R370 WeakPolarHBondContact O-CB 3.27Å; Y365-R370 WeakPolarHBondContact O-CB 3.45Å; Y365-R370 WeakPolarHBondContact O-CD 3.14Å; Y365-R370 WeakPolarHBondContact O-CG 3.1Å; Y365-R370 PolarHBondContact O-NE 2.86Å; N367-R370 PolarHBondContact O-N 3.19Å; N367-R370 VanDerWaalsContact O-N 3.16Å; R370-W372 VanDerWaalsContact C-N 3.32Å; R370-W372 PolarHBondContact O-N 2.99Å; R370-E373 IonicContact NH1-OE2 2.71Å; R370-E373 PolarHBondContact NH1-OE2 3.31Å; R370-T374 WeakPolarHBondContact O-CB 3.43Å; R370-T374 PolarHBondContact O-N 3.28Å; R370-T374 VanDerWaalsContact O-N 3.12Å; R370-T374 PolarHBondContact O-OG1 3.16Å
371	Y	97.9	Very high	96.3	Very high	18 Å²	18	28.7 Å²	28.7	7%	0.071	14%	0.144	C	C	.	.	H	α-helix	trans	-63	-41	178	-74.4	-13.8	0	0	0	112.2	V333 F359 P363 G369 T374 V375 F383 A389 L393	V333-Y371 HydrophobicContact CB-CE1 4.21Å; V333-Y371 HydrophobicContact CG1-CD1 4.43Å; V333-Y371 HydrophobicContact CG1-CE1 4.06Å; V333-Y371 HydrophobicContact CG2-CE1 4.29Å; V333-Y371 HydrophobicContact CG2-CE2 4.25Å; F359-Y371 AromaticContact CD1-CE1 4Å; F359-Y371 HydrophobicContact CD1-CE1 4Å; F359-Y371 HydrophobicContact CE1-CD1 4.13Å; F359-Y371 AromaticContact CE1-CE1 3.47Å; F359-Y371 HydrophobicContact CE1-CE1 3.47Å; F359-Y371 VanDerWaalsContact CE1-CE1 3.47Å; F359-Y371 HydrophobicContact CE2-CD1 4.13Å; F359-Y371 HydrophobicContact CE2-CE1 4.26Å; F359-Y371 AromaticContact CZ-CD1 3.78Å; F359-Y371 HydrophobicContact CZ-CD1 3.78Å; F359-Y371 AromaticContact CZ-CE1 3.6Å; F359-Y371 HydrophobicContact CZ-CE1 3.6Å; P363-Y371 HydrophobicContact CB-CD1 4.42Å; P363-Y371 HydrophobicContact CB-CD2 4.08Å; P363-Y371 HydrophobicContact CB-CE1 3.97Å; P363-Y371 HydrophobicContact CB-CE2 3.61Å; P363-Y371 HydrophobicContact CB-CG 4.47Å; P363-Y371 HydrophobicContact CG-CE2 4.45Å; G369-Y371 PolarHBondContact O-N 2.86Å; Y371-T374 WeakPolarHBondContact O-CB 3.32Å; Y371-T374 PolarHBondContact O-N 3.12Å; Y371-V375 WeakPolarHBondContact O-CG2 3.34Å; Y371-V375 PolarHBondContact O-N 3.41Å; Y371-F383 AromaticContact CD2-CE2 3.95Å; Y371-F383 HydrophobicContact CD2-CE2 3.95Å; Y371-F383 AromaticContact CD2-CZ 3.48Å; Y371-F383 HydrophobicContact CD2-CZ 3.48Å; Y371-F383 VanDerWaalsContact CD2-CZ 3.48Å; Y371-F383 HydrophobicContact CE2-CE2 4.44Å; Y371-F383 AromaticContact CE2-CZ 3.77Å; Y371-F383 HydrophobicContact CE2-CZ 3.77Å; Y371-F383 AromaticContact CG-CE2 3.98Å; Y371-F383 HydrophobicContact CG-CE2 3.98Å; Y371-F383 HydrophobicContact CG-CZ 4.01Å; Y371-A389 HydrophobicContact CE2-CB 4.06Å; Y371-L393 HydrophobicContact CD2-CD1 3.55Å; Y371-L393 HydrophobicContact CE2-CD1 4.07Å; Y371-L393 HydrophobicContact CG-CD1 4.39Å
372	W	97.8	Very high	96.5	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.008	14%	0.143	C	C	.	.	H	α-helix	trans	-77.3	-35	-173.6	-40.5	124.6	0	0	0	111.9	G369 R370 T374 V375 E376 L393 V401 Y404 W426 V431	G369-W372 PolarHBondContact O-N 3.1Å; R370-W372 VanDerWaalsContact C-N 3.32Å; R370-W372 PolarHBondContact O-N 2.99Å; W372-T374 VanDerWaalsContact C-N 3.31Å; W372-V375 HydrophobicContact CE3-CG2 4.5Å; W372-V375 PolarHBondContact O-N 3.37Å; W372-E376 PolarHBondContact O-N 2.89Å; W372-L393 HydrophobicContact CZ2-CD1 3.68Å; W372-V401 HydrophobicContact CB-CG1 4.48Å; W372-V401 HydrophobicContact CD2-CG1 3.63Å; W372-V401 HydrophobicContact CE3-CG1 4.31Å; W372-V401 HydrophobicContact CG-CB 4.33Å; W372-V401 HydrophobicContact CG-CG1 3.66Å; W372-V401 HydrophobicContact CZ2-CG1 4.27Å; W372-Y404 HydrophobicContact CB-CD2 3.54Å; W372-Y404 HydrophobicContact CB-CE2 4.21Å; W372-Y404 HydrophobicContact CB-CG 4.15Å; W372-W426 AromaticContact CZ2-CH2 3.86Å; W372-W426 HydrophobicContact CZ2-CH2 3.86Å; W372-W426 HydrophobicContact CZ2-CZ3 4.14Å; W372-V431 HydrophobicContact CE3-CG1 3.91Å; W372-V431 HydrophobicContact CH2-CB 4.28Å; W372-V431 HydrophobicContact CH2-CG1 3.61Å; W372-V431 HydrophobicContact CH2-CG2 3.62Å; W372-V431 HydrophobicContact CZ2-CG1 4.47Å; W372-V431 HydrophobicContact CZ2-CG2 3.83Å; W372-V431 HydrophobicContact CZ3-CB 4.39Å; W372-V431 HydrophobicContact CZ3-CG1 3.3Å; W372-V431 HydrophobicContact CZ3-CG2 4.16Å
373	E	97.8	Very high	96.9	Very high	34 Å²	34	27.3 Å²	27.3	16%	0.159	14%	0.135	C	C	.	.	H	α-helix	trans	-56.9	-46.5	166.1	-176.6	-83.3	144.3	0	0	111.1	G369 R370 V375 E376 R377 Y404	G369-E373 PolarHBondContact O-N 2.86Å; R370-E373 IonicContact NH1-OE2 2.71Å; R370-E373 PolarHBondContact NH1-OE2 3.31Å; E373-V375 VanDerWaalsContact C-N 3.35Å; E373-V375 PolarHBondContact O-N 2.91Å; E373-E376 PolarHBondContact O-N 3.42Å; E373-R377 WeakPolarHBondContact O-CB 3.49Å; E373-R377 PolarHBondContact O-N 3.29Å; E373-R377 IonicContact OE1-CZ 3.91Å; E373-R377 IonicContact OE1-NE 2.92Å; E373-R377 PolarHBondContact OE1-NE 3.01Å; E373-R377 IonicContact OE1-NH2 3.13Å; E373-R377 PolarHBondContact OE1-NH2 3.36Å; E373-R377 IonicContact OE2-NH2 3.31Å; E373-R377 PolarHBondContact OE2-NH2 3.16Å; E373-Y404 HydrophobicContact CB-CD1 4.11Å; E373-Y404 HydrophobicContact CB-CE1 3.53Å; E373-Y404 HydrophobicContact CB-CE2 4.19Å; E373-Y404 HydrophobicContact CG-CE1 3.86Å
374	T	97.9	Very high	97.3	Very high	4 Å²	4	26.5 Å²	26.5	3%	0.025	13%	0.129	C	C	.	.	H	α-helix	trans	-63.6	-41.9	178.7	-56.5	0	0	0	0	110.9	E130 R370 Y371 W372 L378 I380	E130-T374 HydrophobicContact CB-CG2 4.5Å; E130-T374 HydrophobicContact CG-CG2 3.97Å; R370-T374 WeakPolarHBondContact O-CB 3.43Å; R370-T374 PolarHBondContact O-N 3.28Å; R370-T374 VanDerWaalsContact O-N 3.12Å; R370-T374 PolarHBondContact O-OG1 3.16Å; Y371-T374 WeakPolarHBondContact O-CB 3.32Å; Y371-T374 PolarHBondContact O-N 3.12Å; W372-T374 VanDerWaalsContact C-N 3.31Å; T374-L378 HydrophobicContact CG2-CD1 3.56Å; T374-L378 HydrophobicContact CG2-CG 4.12Å; T374-L378 VanDerWaalsContact O-CB 3.22Å; T374-L378 WeakPolarHBondContact O-CB 3.45Å; T374-L378 WeakPolarHBondContact O-CG 3.34Å; T374-L378 PolarHBondContact O-N 3.36Å; T374-I380 HydrophobicContact CG2-CD1 4.05Å
375	V	98.5	Very high	97.2	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-58.9	-49.5	174.6	166.7	0	0	0	0	111.2	Y371 W372 E373 K379 I380 F383 R406 L409	Y371-V375 WeakPolarHBondContact O-CG2 3.34Å; Y371-V375 PolarHBondContact O-N 3.41Å; W372-V375 HydrophobicContact CE3-CG2 4.5Å; W372-V375 PolarHBondContact O-N 3.37Å; E373-V375 VanDerWaalsContact C-N 3.35Å; E373-V375 PolarHBondContact O-N 2.91Å; V375-K379 VanDerWaalsContact O-CA 3.23Å; V375-K379 WeakPolarHBondContact O-CA 3.5Å; V375-K379 PolarHBondContact O-N 2.95Å; V375-I380 HydrophobicContact CG2-CB 4.19Å; V375-I380 HydrophobicContact CG2-CD1 4.16Å; V375-I380 PolarHBondContact O-N 2.96Å; V375-F383 HydrophobicContact CG2-CD2 4.31Å; V375-R406 HydrophobicContact CG1-CB 4.39Å; V375-R406 HydrophobicContact CG1-CG 4.3Å; V375-L409 HydrophobicContact CG1-CD1 3.82Å; V375-L409 HydrophobicContact CG1-CD2 4.02Å; V375-L409 HydrophobicContact CG1-CG 3.66Å; V375-L409 HydrophobicContact CG2-CD1 4.42Å; V375-L409 HydrophobicContact CG2-CD2 4.33Å
376	E	98.4	Very high	96.7	Very high	65 Å²	65	23.1 Å²	23.1	30%	0.304	12%	0.119	S	C	.	.	H	α-helix	trans	-61.9	-50.7	-178.9	174.8	177.8	-106.8	0	0	111.9	W372 E373 K379 Y404 D405	W372-E376 PolarHBondContact O-N 2.89Å; E373-E376 PolarHBondContact O-N 3.42Å; E376-K379 VanDerWaalsContact O-CD 3.27Å; E376-K379 WeakPolarHBondContact O-CD 3.24Å; E376-K379 VanDerWaalsContact O-CE 3.23Å; E376-K379 WeakPolarHBondContact O-CE 3.49Å; E376-K379 PolarHBondContact O-NZ 2.92Å; E376-Y404 WeakPolarHBondContact OE2-CD1 3.47Å; E376-D405 VanDerWaalsContact CA-O 3.28Å; E376-D405 WeakPolarHBondContact CA-O 3.46Å; E376-D405 VanDerWaalsContact CB-O 3.28Å; E376-D405 WeakPolarHBondContact CB-O 2.79Å; E376-D405 HydrophobicContact CG-CB 4.07Å; E376-D405 WeakPolarHBondContact OE1-CB 3.47Å; E376-D405 PolarHBondContact OE1-N 3.05Å
377	R	98.1	Very high	95.9	Very high	65 Å²	65	19.6 Å²	19.6	25%	0.245	10%	0.096	C	C	.	.	H	α-helix	trans	-70.1	-43.6	-174.8	175.8	171.8	45.3	76.7	15.7	112	E130 E137 E373	E130-R377 IonicContact OE1-CZ 2.63Å; E130-R377 IonicContact OE1-NH1 3.29Å; E130-R377 IonicContact OE1-NH2 3.19Å; E130-R377 PolarHBondContact OE1-NH2 3.23Å; E130-R377 IonicContact OE2-CZ 2.99Å; E130-R377 VanDerWaalsContact OE2-CZ 3.27Å; E130-R377 IonicContact OE2-NH1 3.61Å; E130-R377 PolarHBondContact OE2-NH1 2.93Å; E130-R377 IonicContact OE2-NH2 3.25Å; E130-R377 PolarHBondContact OE2-NH2 3.42Å; E137-R377 IonicContact OE1-NH1 3.53Å; E137-R377 IonicContact OE2-CZ 3.96Å; E137-R377 IonicContact OE2-NH1 2.8Å; E137-R377 PolarHBondContact OE2-NH1 2.83Å; E373-R377 WeakPolarHBondContact O-CB 3.49Å; E373-R377 PolarHBondContact O-N 3.29Å; E373-R377 IonicContact OE1-CZ 3.91Å; E373-R377 IonicContact OE1-NE 2.92Å; E373-R377 PolarHBondContact OE1-NE 3.01Å; E373-R377 IonicContact OE1-NH2 3.13Å; E373-R377 PolarHBondContact OE1-NH2 3.36Å; E373-R377 IonicContact OE2-NH2 3.31Å; E373-R377 PolarHBondContact OE2-NH2 3.16Å
378	L	98.2	Very high	94.7	Very high	5 Å²	5	18 Å²	18	3%	0.026	9%	0.088	C	C	.	.	H	α-helix	trans	-87.2	-8	-178	-57.9	-174.3	0	0	0	113.1	I128 E137 I329 V357 T374 I380	I128-L378 HydrophobicContact CG2-CD1 3.77Å; I128-L378 HydrophobicContact CG2-CD2 3.93Å; I128-L378 HydrophobicContact CG2-CG 4.49Å; E137-L378 HydrophobicContact CG-CD2 4.02Å; I329-L378 WeakPolarHBondContact CD1-O 3.38Å; V357-L378 HydrophobicContact CG1-CD1 4.12Å; V357-L378 HydrophobicContact CG2-CD1 4.37Å; T374-L378 HydrophobicContact CG2-CD1 3.56Å; T374-L378 HydrophobicContact CG2-CG 4.12Å; T374-L378 VanDerWaalsContact O-CB 3.22Å; T374-L378 WeakPolarHBondContact O-CB 3.45Å; T374-L378 WeakPolarHBondContact O-CG 3.34Å; T374-L378 PolarHBondContact O-N 3.36Å; L378-I380 VanDerWaalsContact C-N 3.33Å; L378-I380 HydrophobicContact CB-CG1 4.08Å; L378-I380 PolarHBondContact O-N 3.16Å
379	K	98.4	Very high	93.9	Very high	94 Å²	94	18.5 Å²	18.5	41%	0.409	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	45.6	-176.3	-58.8	-62	179.6	-162.3	0	112.8	V375 E376 N381 D405	V375-K379 VanDerWaalsContact O-CA 3.23Å; V375-K379 WeakPolarHBondContact O-CA 3.5Å; V375-K379 PolarHBondContact O-N 2.95Å; E376-K379 VanDerWaalsContact O-CD 3.27Å; E376-K379 WeakPolarHBondContact O-CD 3.24Å; E376-K379 VanDerWaalsContact O-CE 3.23Å; E376-K379 WeakPolarHBondContact O-CE 3.49Å; E376-K379 PolarHBondContact O-NZ 2.92Å; K379-N381 PolarHBondContact O-N 3.39Å; K379-D405 IonicContact NZ-OD2 3.06Å; K379-D405 PolarHBondContact NZ-OD2 2.95Å
380	I	98.8	Very high	93.2	Very high	4 Å²	4	18.9 Å²	18.9	2%	0.021	10%	0.095	C	C	.	.			trans	-58.2	135.5	178.3	-64.9	177.8	0	0	0	110	I329 V357 T374 V375 L378 Q382 S408 L409	I329-I380 HydrophobicContact CG2-CG1 4.12Å; V357-I380 HydrophobicContact CG2-CD1 4.15Å; V357-I380 HydrophobicContact CG2-CG1 4.23Å; T374-I380 HydrophobicContact CG2-CD1 4.05Å; V375-I380 HydrophobicContact CG2-CB 4.19Å; V375-I380 HydrophobicContact CG2-CD1 4.16Å; V375-I380 PolarHBondContact O-N 2.96Å; L378-I380 VanDerWaalsContact C-N 3.33Å; L378-I380 HydrophobicContact CB-CG1 4.08Å; L378-I380 PolarHBondContact O-N 3.16Å; I380-Q382 WeakPolarHBondContact CG2-O 3.27Å; I380-S408 CarbonylContact O-C 3.6Å; I380-S408 WeakPolarHBondContact O-CB 3.32Å; I380-S408 PolarHBondContact O-OG 3.35Å; I380-L409 HydrophobicContact CB-CD2 4.44Å; I380-L409 HydrophobicContact CG2-CD2 4.03Å; I380-L409 WeakPolarHBondContact O-CD2 3.44Å; I380-L409 PolarHBondContact O-N 3.02Å
381	N	98.8	Very high	92.4	Very high	23 Å²	23	20.8 Å²	20.8	12%	0.123	10%	0.102	C	C	.	.	S	Bend	trans	-99.4	-36.1	179.5	-59.7	106.8	0	0	0	112.8	D328 I329 K379 S408 L409 R410 T411	D328-N381 WeakPolarHBondContact CA-OD1 3.44Å; D328-N381 HydrophobicContact CB-CB 4.11Å; I329-N381 PolarHBondContact N-OD1 3.03Å; I329-N381 PolarHBondContact O-N 2.85Å; K379-N381 PolarHBondContact O-N 3.39Å; N381-S408 WeakPolarHBondContact CA-O 3.41Å; N381-S408 PolarHBondContact ND2-O 3.33Å; N381-L409 WeakPolarHBondContact O-CA 3.26Å; N381-R410 PolarHBondContact ND2-NH1 2.82Å; N381-R410 PolarHBondContact O-N 3.28Å; N381-T411 PolarHBondContact O-N 3.3Å
382	Q	98.8	Very high	91.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	122.5	175.6	-59.9	87.9	21.6	0	0	109.8	F322 D328 I329 F330 G331 I380 T411	F322-Q382 HydrophobicContact CB-CG 4.33Å; D328-Q382 PolarHBondContact OD2-NE2 2.98Å; I329-Q382 PolarHBondContact O-N 3.45Å; F330-Q382 HydrophobicContact CD2-CB 3.54Å; F330-Q382 HydrophobicContact CD2-CG 4.18Å; F330-Q382 HydrophobicContact CE2-CB 3.72Å; F330-Q382 HydrophobicContact CE2-CG 4.43Å; G331-Q382 WeakPolarHBondContact CA-O 3.39Å; G331-Q382 PolarHBondContact N-O 3.03Å; I380-Q382 WeakPolarHBondContact CG2-O 3.27Å; Q382-T411 VanDerWaalsContact CA-O 3.27Å; Q382-T411 WeakPolarHBondContact CA-O 3.44Å
383	F	98.8	Very high	90.8	Very high	7 Å²	7	23 Å²	23	3%	0.031	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	126	175.1	177.8	-90	0	0	0	109.7	V333 Y371 V375 L409 T411 L412 G413	V333-F383 HydrophobicContact CG1-CE2 3.79Å; V333-F383 HydrophobicContact CG1-CZ 4.35Å; V333-F383 HydrophobicContact CG2-CE2 4.29Å; V333-F383 HydrophobicContact CG2-CZ 4.02Å; Y371-F383 AromaticContact CD2-CE2 3.95Å; Y371-F383 HydrophobicContact CD2-CE2 3.95Å; Y371-F383 AromaticContact CD2-CZ 3.48Å; Y371-F383 HydrophobicContact CD2-CZ 3.48Å; Y371-F383 VanDerWaalsContact CD2-CZ 3.48Å; Y371-F383 HydrophobicContact CE2-CE2 4.44Å; Y371-F383 AromaticContact CE2-CZ 3.77Å; Y371-F383 HydrophobicContact CE2-CZ 3.77Å; Y371-F383 AromaticContact CG-CE2 3.98Å; Y371-F383 HydrophobicContact CG-CE2 3.98Å; Y371-F383 HydrophobicContact CG-CZ 4.01Å; V375-F383 HydrophobicContact CG2-CD2 4.31Å; F383-L409 HydrophobicContact CB-CD2 3.9Å; F383-T411 PolarHBondContact N-O 2.98Å; F383-L412 HydrophobicContact CB-CD2 3.97Å; F383-L412 HydrophobicContact CD1-CD2 4.46Å; F383-L412 CarbonylContact O-C 3.48Å; F383-L412 WeakPolarHBondContact O-CA 3.25Å; F383-G413 PolarHBondContact O-N 3.04Å
384	Y	98.6	Very high	90	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	115.9	-177.6	-171.5	-145.8	0	0	0	111.2	F322 F330 G331 C332 V333 T340 Y344 G413 V415 T441 W443	F322-Y384 HydrophobicContact CE1-CD1 4.2Å; F322-Y384 AromaticContact CE1-CD2 3.81Å; F322-Y384 HydrophobicContact CE1-CD2 3.81Å; F322-Y384 HydrophobicContact CE1-CE2 4.13Å; F322-Y384 AromaticContact CE1-CG 3.82Å; F322-Y384 HydrophobicContact CE1-CG 3.82Å; F322-Y384 HydrophobicContact CE2-CE1 4.46Å; F322-Y384 AromaticContact CZ-CD1 3.71Å; F322-Y384 HydrophobicContact CZ-CD1 3.71Å; F322-Y384 AromaticContact CZ-CD2 3.84Å; F322-Y384 HydrophobicContact CZ-CD2 3.84Å; F322-Y384 AromaticContact CZ-CE1 3.69Å; F322-Y384 HydrophobicContact CZ-CE1 3.69Å; F322-Y384 AromaticContact CZ-CE2 3.77Å; F322-Y384 HydrophobicContact CZ-CE2 3.77Å; F322-Y384 AromaticContact CZ-CG 3.78Å; F322-Y384 HydrophobicContact CZ-CG 3.78Å; F322-Y384 AromaticContact CZ-CZ 3.7Å; F330-Y384 HydrophobicContact CZ-CD1 4.19Å; F330-Y384 HydrophobicContact CZ-CG 4.49Å; G331-Y384 PolarHBondContact O-N 3.29Å; C332-Y384 WeakPolarHBondContact CA-O 3.21Å; C332-Y384 HydrophobicContact CB-CD1 4.16Å; C332-Y384 VanDerWaalsContact SG-CD1 3.59Å; V333-Y384 PolarHBondContact N-O 3.25Å; T340-Y384 HydrophobicContact CG2-CD1 4.27Å; T340-Y384 HydrophobicContact CG2-CE1 3.78Å; Y344-Y384 AromaticContact CD2-CE1 3.73Å; Y344-Y384 HydrophobicContact CD2-CE1 3.73Å; Y344-Y384 HydrophobicContact CE2-CE1 4.48Å; Y344-Y384 HydrophobicContact CG-CE1 4.01Å; Y384-G413 VanDerWaalsContact CD2-C 3.49Å; Y384-V415 HydrophobicContact CD2-CB 4.43Å; Y384-V415 HydrophobicContact CD2-CG1 4.08Å; Y384-V415 HydrophobicContact CE1-CB 4.36Å; Y384-V415 HydrophobicContact CE1-CG1 4.07Å; Y384-V415 HydrophobicContact CE2-CB 3.47Å; Y384-V415 VanDerWaalsContact CE2-CB 3.47Å; Y384-V415 HydrophobicContact CE2-CG1 3.56Å; Y384-V415 HydrophobicContact CE2-CG2 4.4Å; Y384-V415 VanDerWaalsContact CZ-CB 3.43Å; Y384-V415 VanDerWaalsContact OH-CB 3.25Å; Y384-V415 WeakPolarHBondContact OH-CB 3.37Å; Y384-V415 VanDerWaalsContact OH-CG2 3.26Å; Y384-V415 WeakPolarHBondContact OH-CG2 3.42Å; Y384-T441 HydrophobicContact CE2-CG2 4.35Å; Y384-T441 WeakPolarHBondContact CE2-OG1 3.27Å; Y384-T441 PolarHBondContact OH-OG1 3.3Å; Y384-W443 PolarHBondContact OH-NE1 2.77Å
385	G	90.1	Very high	89.2	Confident	5 Å²	5	27.2 Å²	27.2	5%	0.052	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	172.4	-174.5	0	0	0	0	0	113.5	G413 S414 V415	G385-G413 PolarHBondContact N-O 2.83Å; G385-G413 VanDerWaalsContact N-O 3.16Å; G385-S414 WeakPolarHBondContact O-CA 3.37Å; G385-V415 PolarHBondContact O-N 2.79Å
386	A	82.3	Confident	88.6	Confident	28 Å²	28	33 Å²	33	23%	0.231	16%	0.156	C	C	.	.			trans	-87.1	145.5	-178.5	0	0	0	0	0	112.2	T388 A389 V390 V415	A386-T388 PolarHBondContact O-N 3.17Å; A386-T388 VanDerWaalsContact O-N 3.08Å; A386-A389 PolarHBondContact O-N 3.33Å; A386-V390 WeakPolarHBondContact O-CG2 3.35Å; A386-V390 PolarHBondContact O-N 2.96Å; A386-V415 WeakPolarHBondContact CA-O 3.42Å
387	P	79.6	Confident	87.9	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-52.4	-31.6	174.4	-32.1	39.3	0	0	0	114.2	A389 V390 R391 S414 V415 E417 I419	P387-A389 PolarHBondContact O-N 2.95Å; P387-V390 WeakPolarHBondContact O-CB 3.45Å; P387-V390 PolarHBondContact O-N 3.28Å; P387-R391 WeakPolarHBondContact O-CB 3.49Å; P387-R391 WeakPolarHBondContact O-CG 3.27Å; P387-R391 PolarHBondContact O-N 3.33Å; P387-S414 VanDerWaalsContact CG-OG 3.27Å; P387-S414 WeakPolarHBondContact CG-OG 3.46Å; P387-V415 WeakPolarHBondContact CD-O 3.46Å; P387-E417 HydrophobicContact CG-CB 4.46Å; P387-E417 WeakPolarHBondContact CG-O 3.44Å; P387-I419 HydrophobicContact CB-CB 4.17Å; P387-I419 HydrophobicContact CB-CG1 4.24Å; P387-I419 HydrophobicContact CG-CB 3.8Å; P387-I419 HydrophobicContact CG-CG1 4.25Å
388	T	72.3	Confident	87.8	Confident	16 Å²	16	30.6 Å²	30.6	10%	0.098	16%	0.157	C	C	.	.	H	α-helix	trans	-63.5	-40.7	178.2	-65.8	0	0	0	0	113.1	A386 V390 R391 L392 E417 K636 G640	A386-T388 PolarHBondContact O-N 3.17Å; A386-T388 VanDerWaalsContact O-N 3.08Å; T388-V390 VanDerWaalsContact C-N 3.31Å; T388-R391 PolarHBondContact OG1-NH2 3.07Å; T388-L392 WeakPolarHBondContact O-CB 3.35Å; T388-L392 PolarHBondContact O-N 2.83Å; T388-L392 VanDerWaalsContact O-N 3.08Å; T388-E417 PolarHBondContact OG1-OE1 3.37Å; T388-E417 VanDerWaalsContact OG1-OE1 3.12Å; T388-E417 PolarHBondContact OG1-OE2 3.17Å; T388-K636 HydrophobicContact CG2-CD 4.28Å; T388-G640 PolarHBondContact OG1-O 3.02Å; T388-G640 VanDerWaalsContact OG1-O 3.12Å
389	A	76.3	Confident	87.8	Confident	16 Å²	16	34 Å²	34	13%	0.132	19%	0.186	C	C	.	.	H	α-helix	trans	-67.9	-36.5	175	0	0	0	0	0	111.2	P363 Y371 A386 P387 L392 L393	P363-A389 HydrophobicContact CG-CB 4.36Å; Y371-A389 HydrophobicContact CE2-CB 4.06Å; A386-A389 PolarHBondContact O-N 3.33Å; P387-A389 PolarHBondContact O-N 2.95Å; A389-L392 WeakPolarHBondContact O-CB 3.27Å; A389-L392 PolarHBondContact O-N 2.73Å; A389-L393 WeakPolarHBondContact O-CG 3.43Å; A389-L393 PolarHBondContact O-N 2.69Å
390	V	82.8	Confident	87.7	Confident	8 Å²	8	33.7 Å²	33.7	5%	0.048	18%	0.182	C	C	.	.	H	α-helix	trans	-63.8	-51.4	177.8	177.7	0	0	0	0	110.9	A386 P387 T388 L392 L393 L394 A423 W426 L427	A386-V390 WeakPolarHBondContact O-CG2 3.35Å; A386-V390 PolarHBondContact O-N 2.96Å; P387-V390 WeakPolarHBondContact O-CB 3.45Å; P387-V390 PolarHBondContact O-N 3.28Å; T388-V390 VanDerWaalsContact C-N 3.31Å; V390-L392 VanDerWaalsContact C-N 3.26Å; V390-L392 PolarHBondContact O-N 2.9Å; V390-L393 PolarHBondContact O-N 3.01Å; V390-L393 VanDerWaalsContact O-N 3.12Å; V390-L394 WeakPolarHBondContact O-CB 3.42Å; V390-L394 PolarHBondContact O-N 3.27Å; V390-A423 HydrophobicContact CG1-CB 3.95Å; V390-W426 HydrophobicContact CG1-CE3 3.82Å; V390-W426 HydrophobicContact CG1-CZ3 3.95Å; V390-L427 HydrophobicContact CB-CG 4.49Å; V390-L427 HydrophobicContact CG1-CD1 3.95Å; V390-L427 HydrophobicContact CG1-CD2 3.92Å; V390-L427 HydrophobicContact CG1-CG 3.55Å; V390-L427 HydrophobicContact CG2-CD1 3.86Å; V390-L427 HydrophobicContact CG2-CD2 3.97Å; V390-L427 HydrophobicContact CG2-CG 4.11Å
391	R	79.5	Confident	87.6	Confident	42 Å²	42	33.6 Å²	33.6	16%	0.158	18%	0.182	C	C	.	.	H	α-helix	trans	-59.3	-36.8	176.4	-72.5	-176.9	-66	-108	2.7	112	P387 T388 K395 E417 P418 A423	P387-R391 WeakPolarHBondContact O-CB 3.49Å; P387-R391 WeakPolarHBondContact O-CG 3.27Å; P387-R391 PolarHBondContact O-N 3.33Å; T388-R391 PolarHBondContact OG1-NH2 3.07Å; R391-K395 WeakPolarHBondContact O-CG 3.42Å; R391-E417 IonicContact NH2-OE2 3.68Å; R391-E417 PolarHBondContact NH2-OE2 3.1Å; R391-P418 PolarHBondContact NH1-O 3.18Å; R391-A423 HydrophobicContact CG-CB 3.96Å
392	L	77	Confident	87.5	Confident	62 Å²	62	38.3 Å²	38.3	33%	0.325	20%	0.202	S	C	.	.	H	α-helix	trans	-61.8	-49.5	173.8	174.2	63	0	0	0	111.3	P363 V364 T388 A389 V390 K395 Y396	P363-L392 HydrophobicContact CG-CD2 4.11Å; V364-L392 HydrophobicContact CG1-CD2 3.8Å; V364-L392 HydrophobicContact CG1-CG 4.2Å; T388-L392 WeakPolarHBondContact O-CB 3.35Å; T388-L392 PolarHBondContact O-N 2.83Å; T388-L392 VanDerWaalsContact O-N 3.08Å; A389-L392 WeakPolarHBondContact O-CB 3.27Å; A389-L392 PolarHBondContact O-N 2.73Å; V390-L392 VanDerWaalsContact C-N 3.26Å; V390-L392 PolarHBondContact O-N 2.9Å; L392-K395 PolarHBondContact O-N 3.3Å; L392-Y396 HydrophobicContact CD1-CE2 3.96Å; L392-Y396 HydrophobicContact CG-CE2 4.29Å; L392-Y396 WeakPolarHBondContact O-CD2 3.5Å
393	L	85.4	Confident	87.4	Confident	4 Å²	4	43.3 Å²	43.3	2%	0.021	22%	0.223	C	C	.	.	H	α-helix	trans	-68.5	-35.6	-177.3	-69.5	175	0	0	0	112.7	P363 V364 A368 Y371 W372 A389 V390 K395 Y396 W426	P363-L393 HydrophobicContact CB-CD1 4.13Å; P363-L393 HydrophobicContact CB-CD2 4.12Å; P363-L393 HydrophobicContact CB-CG 4.23Å; V364-L393 HydrophobicContact CG1-CD2 4.21Å; A368-L393 HydrophobicContact CB-CD2 4.06Å; A368-L393 WeakPolarHBondContact O-CD2 3.29Å; Y371-L393 HydrophobicContact CD2-CD1 3.55Å; Y371-L393 HydrophobicContact CE2-CD1 4.07Å; Y371-L393 HydrophobicContact CG-CD1 4.39Å; W372-L393 HydrophobicContact CZ2-CD1 3.68Å; A389-L393 WeakPolarHBondContact O-CG 3.43Å; A389-L393 PolarHBondContact O-N 2.69Å; V390-L393 PolarHBondContact O-N 3.01Å; V390-L393 VanDerWaalsContact O-N 3.12Å; L393-K395 PolarHBondContact O-N 2.75Å; L393-Y396 PolarHBondContact O-N 2.74Å; L393-W426 HydrophobicContact CB-CH2 3.8Å; L393-W426 HydrophobicContact CB-CZ3 4.37Å
394	L	81.8	Confident	87.4	Confident	34 Å²	34	45 Å²	45	18%	0.178	23%	0.23	C	C	.	.	H	α-helix	trans	-51.4	-39.5	173.1	175.4	66.3	0	0	0	111.9	V390 Y396 G397 E422 W426	V390-L394 WeakPolarHBondContact O-CB 3.42Å; V390-L394 PolarHBondContact O-N 3.27Å; L394-Y396 VanDerWaalsContact C-N 3.27Å; L394-Y396 PolarHBondContact O-N 2.71Å; L394-G397 PolarHBondContact O-N 3.13Å; L394-E422 HydrophobicContact CD2-CG 3.97Å; L394-W426 HydrophobicContact CB-CD2 4.35Å; L394-W426 HydrophobicContact CD1-CB 3.78Å; L394-W426 HydrophobicContact CD1-CD2 3.82Å; L394-W426 HydrophobicContact CD1-CG 3.35Å
395	K	80.4	Confident	87.4	Confident	94 Å²	94	47.9 Å²	47.9	41%	0.409	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-24	-179.8	-61.5	-176.7	-162.8	-169.6	0	114.4	R391 L392 L393 G397 P575 E576	R391-K395 WeakPolarHBondContact O-CG 3.42Å; L392-K395 PolarHBondContact O-N 3.3Å; L393-K395 PolarHBondContact O-N 2.75Å; K395-G397 VanDerWaalsContact C-N 3.28Å; K395-P575 HydrophobicContact CD-CB 4.33Å; K395-E576 IonicContact NZ-OE1 3.76Å; K395-E576 PolarHBondContact NZ-OE1 2.64Å
396	Y	85.7	Confident	87.7	Confident	121 Å²	121	48.1 Å²	48.1	48%	0.475	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-10.5	179.2	-73.4	-88.1	0	0	0	112.9	V364 A368 L392 L393 L394	V364-Y396 HydrophobicContact CG1-CE2 3.99Å; A368-Y396 HydrophobicContact CB-CD1 3.72Å; A368-Y396 HydrophobicContact CB-CD2 3.71Å; A368-Y396 HydrophobicContact CB-CE1 4.25Å; A368-Y396 HydrophobicContact CB-CE2 4.25Å; A368-Y396 HydrophobicContact CB-CG 3.41Å; A368-Y396 VanDerWaalsContact CB-CG 3.41Å; L392-Y396 HydrophobicContact CD1-CE2 3.96Å; L392-Y396 HydrophobicContact CG-CE2 4.29Å; L392-Y396 WeakPolarHBondContact O-CD2 3.5Å; L393-Y396 PolarHBondContact O-N 2.74Å; L394-Y396 VanDerWaalsContact C-N 3.27Å; L394-Y396 PolarHBondContact O-N 2.71Å
397	G	85.3	Confident	88.5	Confident	28 Å²	28	50.2 Å²	50.2	29%	0.289	26%	0.258	S	S	.	.			trans	83.5	159.6	178.9	0	0	0	0	0	114.4	L394 K395 A399 W400	L394-G397 PolarHBondContact O-N 3.13Å; K395-G397 VanDerWaalsContact C-N 3.28Å; G397-A399 PolarHBondContact O-N 2.98Å; G397-A399 VanDerWaalsContact O-N 3.14Å; G397-W400 PolarHBondContact O-N 3.21Å
398	D	96.1	Very high	89.4	Confident	52 Å²	52	51.1 Å²	51.1	28%	0.278	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-24.5	-170	-67.3	3	0	0	0	115.2	W400 V401 K402 W426 V430	D398-W400 PolarHBondContact O-N 3.25Å; D398-V401 WeakPolarHBondContact O-CA 3.11Å; D398-V401 WeakPolarHBondContact O-CB 3.39Å; D398-V401 PolarHBondContact O-N 3.15Å; D398-K402 HydrophobicContact CB-CD 3.94Å; D398-K402 HydrophobicContact CB-CG 4.42Å; D398-K402 PolarHBondContact O-N 2.92Å; D398-K402 IonicContact OD2-NZ 3.94Å; D398-K402 PolarHBondContact OD2-NZ 3.42Å; D398-W426 PolarHBondContact OD1-NE1 2.62Å; D398-V430 HydrophobicContact CB-CG1 4.01Å; D398-V430 WeakPolarHBondContact OD2-CG2 3.17Å
399	A	96.9	Very high	90.7	Very high	77 Å²	77	50.3 Å²	50.3	64%	0.636	26%	0.259	S	S	*	.	H	α-helix	trans	-59.4	-31.6	-175.2	0	0	0	0	0	112.4	G397 V401 K403	G397-A399 PolarHBondContact O-N 2.98Å; G397-A399 VanDerWaalsContact O-N 3.14Å; A399-V401 PolarHBondContact O-N 2.88Å; A399-K403 WeakPolarHBondContact O-CB 3.42Å; A399-K403 WeakPolarHBondContact O-CG 3.3Å; A399-K403 PolarHBondContact O-N 3.48Å
400	W	96.6	Very high	91.7	Very high	86 Å²	86	53.2 Å²	53.2	33%	0.326	27%	0.266	S	S	.	.	H	α-helix	trans	-68.4	-25.4	175.5	-73.2	101.4	0	0	0	113.5	N367 A368 G397 D398 Y404	N367-W400 HydrophobicContact CB-CE3 4.25Å; N367-W400 HydrophobicContact CB-CH2 3.73Å; N367-W400 HydrophobicContact CB-CZ3 3.52Å; N367-W400 WeakPolarHBondContact OD1-CZ3 3.45Å; A368-W400 HydrophobicContact CB-CB 4.4Å; A368-W400 HydrophobicContact CB-CD2 4.14Å; A368-W400 HydrophobicContact CB-CG 3.98Å; G397-W400 PolarHBondContact O-N 3.21Å; D398-W400 PolarHBondContact O-N 3.25Å; W400-Y404 VanDerWaalsContact O-CD2 3.31Å; W400-Y404 WeakPolarHBondContact O-CD2 3.48Å; W400-Y404 VanDerWaalsContact O-CE2 3.31Å; W400-Y404 WeakPolarHBondContact O-CE2 3.2Å
401	V	96.7	Very high	92.4	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.012	27%	0.266	C	S	.	.	H	α-helix	trans	-91.7	-47.6	-179.5	-153.3	0	0	0	0	110.6	W372 D398 A399 K403 Y404 W426 V430 V431	W372-V401 HydrophobicContact CB-CG1 4.48Å; W372-V401 HydrophobicContact CD2-CG1 3.63Å; W372-V401 HydrophobicContact CE3-CG1 4.31Å; W372-V401 HydrophobicContact CG-CB 4.33Å; W372-V401 HydrophobicContact CG-CG1 3.66Å; W372-V401 HydrophobicContact CZ2-CG1 4.27Å; D398-V401 WeakPolarHBondContact O-CA 3.11Å; D398-V401 WeakPolarHBondContact O-CB 3.39Å; D398-V401 PolarHBondContact O-N 3.15Å; A399-V401 PolarHBondContact O-N 2.88Å; V401-K403 PolarHBondContact O-N 2.99Å; V401-Y404 PolarHBondContact O-N 3.44Å; V401-W426 HydrophobicContact CG2-CH2 3.91Å; V401-W426 HydrophobicContact CG2-CZ2 3.46Å; V401-W426 VanDerWaalsContact CG2-CZ2 3.46Å; V401-V430 HydrophobicContact CB-CG1 4.32Å; V401-V430 HydrophobicContact CG2-CG1 4.38Å; V401-V431 HydrophobicContact CG1-CB 4.49Å; V401-V431 HydrophobicContact CG1-CG2 3.91Å
402	K	96.6	Very high	93.3	Very high	123 Å²	123	51.2 Å²	51.2	54%	0.535	26%	0.259	S	S	.	.	H	α-helix	trans	-69.4	-13.6	-174.2	-72.9	176.5	172.1	153.5	0	114.3	D398 Y404	D398-K402 HydrophobicContact CB-CD 3.94Å; D398-K402 HydrophobicContact CB-CG 4.42Å; D398-K402 PolarHBondContact O-N 2.92Å; D398-K402 IonicContact OD2-NZ 3.94Å; D398-K402 PolarHBondContact OD2-NZ 3.42Å; K402-Y404 VanDerWaalsContact C-N 3.3Å
403	K	97.1	Very high	94.3	Very high	104 Å²	104	48.4 Å²	48.4	45%	0.452	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-7.4	177	71.4	-178	-169.7	169.1	0	114.4	A399 V401	A399-K403 WeakPolarHBondContact O-CB 3.42Å; A399-K403 WeakPolarHBondContact O-CG 3.3Å; A399-K403 PolarHBondContact O-N 3.48Å; V401-K403 PolarHBondContact O-N 2.99Å
404	Y	98.1	Very high	94.6	Very high	42 Å²	42	48.2 Å²	48.2	17%	0.165	24%	0.244	C	C	.	.	S	Bend	trans	-116.8	145.3	180	-60.5	-75.6	0	0	0	111.5	G369 W372 E373 E376 W400 V401 K402 R406	G369-Y404 WeakPolarHBondContact O-CE2 3.41Å; W372-Y404 HydrophobicContact CB-CD2 3.54Å; W372-Y404 HydrophobicContact CB-CE2 4.21Å; W372-Y404 HydrophobicContact CB-CG 4.15Å; E373-Y404 HydrophobicContact CB-CD1 4.11Å; E373-Y404 HydrophobicContact CB-CE1 3.53Å; E373-Y404 HydrophobicContact CB-CE2 4.19Å; E373-Y404 HydrophobicContact CG-CE1 3.86Å; E376-Y404 WeakPolarHBondContact OE2-CD1 3.47Å; W400-Y404 VanDerWaalsContact O-CD2 3.31Å; W400-Y404 WeakPolarHBondContact O-CD2 3.48Å; W400-Y404 VanDerWaalsContact O-CE2 3.31Å; W400-Y404 WeakPolarHBondContact O-CE2 3.2Å; V401-Y404 PolarHBondContact O-N 3.44Å; K402-Y404 VanDerWaalsContact C-N 3.3Å; Y404-R406 PolarHBondContact O-N 3.05Å
405	D	98.2	Very high	95.1	Very high	61 Å²	61	47 Å²	47	33%	0.326	24%	0.238	S	C	.	.			trans	-72	117.9	171.8	169.7	33.6	0	0	0	111.5	E376 K379 S407	E376-D405 VanDerWaalsContact CA-O 3.28Å; E376-D405 WeakPolarHBondContact CA-O 3.46Å; E376-D405 VanDerWaalsContact CB-O 3.28Å; E376-D405 WeakPolarHBondContact CB-O 2.79Å; E376-D405 HydrophobicContact CG-CB 4.07Å; E376-D405 WeakPolarHBondContact OE1-CB 3.47Å; E376-D405 PolarHBondContact OE1-N 3.05Å; K379-D405 IonicContact NZ-OD2 3.06Å; K379-D405 PolarHBondContact NZ-OD2 2.95Å; D405-S407 WeakPolarHBondContact OD1-CB 3.24Å; D405-S407 PolarHBondContact OD1-N 2.78Å; D405-S407 PolarHBondContact OD1-OG 2.79Å; D405-S407 PolarHBondContact OD2-OG 3.03Å
406	R	97.8	Very high	94.9	Very high	11 Å²	11	45.5 Å²	45.5	4%	0.042	25%	0.249	C	C	.	.			trans	-116.6	17.6	179.9	-59	158.8	-55.1	169.1	22.8	111.9	V375 Y404 S408 L409 V430 D433 R435	V375-R406 HydrophobicContact CG1-CB 4.39Å; V375-R406 HydrophobicContact CG1-CG 4.3Å; Y404-R406 PolarHBondContact O-N 3.05Å; R406-S408 PolarHBondContact O-N 3.29Å; R406-L409 HydrophobicContact CB-CD1 4.09Å; R406-L409 WeakPolarHBondContact O-CB 3.35Å; R406-L409 PolarHBondContact O-N 2.75Å; R406-L409 VanDerWaalsContact O-N 3.15Å; R406-V430 PolarHBondContact NH1-O 3.37Å; R406-V430 PolarHBondContact NH2-O 2.64Å; R406-D433 IonicContact CZ-OD1 2.84Å; R406-D433 IonicContact NH2-OD1 2.67Å; R406-D433 PolarHBondContact NH2-OD1 2.75Å; R406-D433 IonicContact NH2-OD2 2.83Å; R406-D433 PolarHBondContact NH2-OD2 2.86Å; R406-R435 PolarHBondContact O-NH2 3.4Å
407	S	98.2	Very high	94.4	Very high	72 Å²	72	41.5 Å²	41.5	50%	0.503	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-23.5	-177.1	59.9	0	0	0	0	113.5	D405 L409	D405-S407 WeakPolarHBondContact OD1-CB 3.24Å; D405-S407 PolarHBondContact OD1-N 2.78Å; D405-S407 PolarHBondContact OD1-OG 2.79Å; D405-S407 PolarHBondContact OD2-OG 3.03Å; S407-L409 VanDerWaalsContact C-N 3.28Å; S407-L409 PolarHBondContact O-N 3.45Å
408	S	98.5	Very high	93.9	Very high	18 Å²	18	43.1 Å²	43.1	13%	0.126	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-25	176.1	61	0	0	0	0	113.9	I380 N381 R406	I380-S408 CarbonylContact O-C 3.6Å; I380-S408 WeakPolarHBondContact O-CB 3.32Å; I380-S408 PolarHBondContact O-OG 3.35Å; N381-S408 WeakPolarHBondContact CA-O 3.41Å; N381-S408 PolarHBondContact ND2-O 3.33Å; R406-S408 PolarHBondContact O-N 3.29Å
409	L	98.7	Very high	93.1	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.228	C	C	.	.			trans	-68	138.5	-179.5	-68.6	175.3	0	0	0	111.2	V375 I380 N381 F383 R406 S407 L412 V431 C436	V375-L409 HydrophobicContact CG1-CD1 3.82Å; V375-L409 HydrophobicContact CG1-CD2 4.02Å; V375-L409 HydrophobicContact CG1-CG 3.66Å; V375-L409 HydrophobicContact CG2-CD1 4.42Å; V375-L409 HydrophobicContact CG2-CD2 4.33Å; I380-L409 HydrophobicContact CB-CD2 4.44Å; I380-L409 HydrophobicContact CG2-CD2 4.03Å; I380-L409 WeakPolarHBondContact O-CD2 3.44Å; I380-L409 PolarHBondContact O-N 3.02Å; N381-L409 WeakPolarHBondContact O-CA 3.26Å; F383-L409 HydrophobicContact CB-CD2 3.9Å; R406-L409 HydrophobicContact CB-CD1 4.09Å; R406-L409 WeakPolarHBondContact O-CB 3.35Å; R406-L409 PolarHBondContact O-N 2.75Å; R406-L409 VanDerWaalsContact O-N 3.15Å; S407-L409 VanDerWaalsContact C-N 3.28Å; S407-L409 PolarHBondContact O-N 3.45Å; L409-L412 HydrophobicContact CD1-CD2 3.99Å; L409-V431 HydrophobicContact CD1-CG1 4.31Å; L409-C436 VanDerWaalsContact C-SG 3.57Å; L409-C436 PolarHBondContact O-SG 3.05Å; L409-C436 VanDerWaalsContact O-SG 3.36Å
410	R	97.9	Very high	92.1	Very high	77 Å²	77	38.3 Å²	38.3	29%	0.291	20%	0.203	S	C	.	.			trans	-128.5	-34.1	175.1	-53.8	-164.4	-51.5	-103.4	3.6	112.1	D328 N381 C436 T437	D328-R410 IonicContact OD1-CZ 2.73Å; D328-R410 IonicContact OD1-NH1 3.27Å; D328-R410 PolarHBondContact OD1-NH1 3.07Å; D328-R410 IonicContact OD1-NH2 3.86Å; D328-R410 PolarHBondContact OD1-NH2 3.5Å; D328-R410 IonicContact OD2-CZ 2.79Å; D328-R410 IonicContact OD2-NH2 3.71Å; D328-R410 PolarHBondContact OD2-NH2 3.42Å; N381-R410 PolarHBondContact ND2-NH1 2.82Å; N381-R410 PolarHBondContact O-N 3.28Å; R410-C436 CarbonylContact O-C 3.59Å; R410-C436 VanDerWaalsContact O-CA 3.22Å; R410-C436 WeakPolarHBondContact O-CA 3.34Å; R410-C436 WeakPolarHBondContact O-CB 3.32Å; R410-T437 PolarHBondContact O-N 3.09Å
411	T	98.2	Very high	91.4	Very high	7 Å²	7	37.4 Å²	37.4	4%	0.043	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	132.5	178.5	-46.6	0	0	0	0	110.5	F322 N381 Q382 F383 T437 V439	F322-T411 HydrophobicContact CD1-CG2 4.15Å; F322-T411 PolarHBondContact O-OG1 2.79Å; N381-T411 PolarHBondContact O-N 3.3Å; Q382-T411 VanDerWaalsContact CA-O 3.27Å; Q382-T411 WeakPolarHBondContact CA-O 3.44Å; F383-T411 PolarHBondContact N-O 2.98Å; T411-T437 CarbonylContact C-O 3.56Å; T411-T437 WeakPolarHBondContact CA-O 3.17Å; T411-V439 HydrophobicContact CG2-CG2 4.14Å
412	L	98.7	Very high	90.7	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	144	167.2	-62.8	177.8	0	0	0	107.9	F383 L409 L427 V431 C436 T437 L438 V439	F383-L412 HydrophobicContact CB-CD2 3.97Å; F383-L412 HydrophobicContact CD1-CD2 4.46Å; F383-L412 CarbonylContact O-C 3.48Å; F383-L412 WeakPolarHBondContact O-CA 3.25Å; L409-L412 HydrophobicContact CD1-CD2 3.99Å; L412-L427 HydrophobicContact CD1-CB 4.31Å; L412-L427 WeakPolarHBondContact CD1-O 3.46Å; L412-V431 HydrophobicContact CD1-CB 4.27Å; L412-V431 HydrophobicContact CD1-CG1 4.24Å; L412-V431 HydrophobicContact CD2-CG1 4.1Å; L412-C436 HydrophobicContact CD1-CB 4.18Å; L412-C436 HydrophobicContact CG-CB 3.92Å; L412-T437 PolarHBondContact N-O 2.81Å; L412-L438 HydrophobicContact CB-CB 4.4Å; L412-L438 HydrophobicContact CB-CD1 3.58Å; L412-L438 CarbonylContact O-C 3.52Å; L412-L438 VanDerWaalsContact O-CA 3.32Å; L412-L438 WeakPolarHBondContact O-CA 3.17Å; L412-V439 WeakPolarHBondContact O-CG2 3.48Å; L412-V439 PolarHBondContact O-N 3.24Å
413	G	97.8	Very high	90	Very high	3 Å²	3	36 Å²	36	3%	0.031	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	145.5	176.1	0	0	0	0	0	112.8	F383 Y384 G385 V439	F383-G413 PolarHBondContact O-N 3.04Å; Y384-G413 VanDerWaalsContact CD2-C 3.49Å; G385-G413 PolarHBondContact N-O 2.83Å; G385-G413 VanDerWaalsContact N-O 3.16Å; G413-V439 CarbonylContact C-O 3.59Å; G413-V439 VanDerWaalsContact CA-O 3.27Å; G413-V439 WeakPolarHBondContact CA-O 3.44Å
414	S	92.3	Very high	89.7	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	139.4	174.7	163.3	0	0	0	0	110.3	G385 P387 V439 D440 T441	G385-S414 WeakPolarHBondContact O-CA 3.37Å; P387-S414 VanDerWaalsContact CG-OG 3.27Å; P387-S414 WeakPolarHBondContact CG-OG 3.46Å; S414-V439 PolarHBondContact N-O 3.49Å; S414-D440 WeakPolarHBondContact CB-OD1 3.43Å; S414-D440 PolarHBondContact OG-OD1 2.84Å; S414-T441 PolarHBondContact O-N 3.24Å; S414-T441 PolarHBondContact O-OG1 2.95Å
415	V	90.6	Very high	89.5	Confident	8 Å²	8	33.2 Å²	33.2	5%	0.048	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	150	-178.7	59.2	0	0	0	0	114.7	T340 Y384 G385 A386 P387 W443	T340-V415 HydrophobicContact CG2-CG1 4.04Å; T340-V415 HydrophobicContact CG2-CG2 4.43Å; Y384-V415 HydrophobicContact CD2-CB 4.43Å; Y384-V415 HydrophobicContact CD2-CG1 4.08Å; Y384-V415 HydrophobicContact CE1-CB 4.36Å; Y384-V415 HydrophobicContact CE1-CG1 4.07Å; Y384-V415 HydrophobicContact CE2-CB 3.47Å; Y384-V415 VanDerWaalsContact CE2-CB 3.47Å; Y384-V415 HydrophobicContact CE2-CG1 3.56Å; Y384-V415 HydrophobicContact CE2-CG2 4.4Å; Y384-V415 VanDerWaalsContact CZ-CB 3.43Å; Y384-V415 VanDerWaalsContact OH-CB 3.25Å; Y384-V415 WeakPolarHBondContact OH-CB 3.37Å; Y384-V415 VanDerWaalsContact OH-CG2 3.26Å; Y384-V415 WeakPolarHBondContact OH-CG2 3.42Å; G385-V415 PolarHBondContact O-N 2.79Å; A386-V415 WeakPolarHBondContact CA-O 3.42Å; P387-V415 WeakPolarHBondContact CD-O 3.46Å; V415-W443 HydrophobicContact CG2-CZ2 4.14Å
416	G	76.9	Confident	89.4	Confident	63 Å²	63	30.9 Å²	30.9	65%	0.649	18%	0.181	S	C	*	.	S	Bend	trans	98.6	-19.9	161	0	0	0	0	0	114.2
417	E	74.7	Confident	89.3	Confident	37 Å²	37	30.4 Å²	30.4	17%	0.173	18%	0.179	C	C	.	.	S	Bend	trans	-149.7	159.2	177.1	-65.7	173.4	-141.5	0	0	109.1	P387 T388 R391 I419 G640 K641	P387-E417 HydrophobicContact CG-CB 4.46Å; P387-E417 WeakPolarHBondContact CG-O 3.44Å; T388-E417 PolarHBondContact OG1-OE1 3.37Å; T388-E417 VanDerWaalsContact OG1-OE1 3.12Å; T388-E417 PolarHBondContact OG1-OE2 3.17Å; R391-E417 IonicContact NH2-OE2 3.68Å; R391-E417 PolarHBondContact NH2-OE2 3.1Å; E417-I419 PolarHBondContact O-N 3.04Å; E417-G640 VanDerWaalsContact OE1-C 3.22Å; E417-K641 WeakPolarHBondContact OE1-CA 3.42Å; E417-K641 PolarHBondContact OE1-N 3.38Å; E417-K641 VanDerWaalsContact OE1-N 3.12Å
418	P	76.3	Confident	89.3	Confident	62 Å²	62	29.1 Å²	29.1	40%	0.403	17%	0.165	S	C	.	.	P	Polyproline II helix	trans	-55.3	135.2	165.5	-24.5	35.1	0	0	0	111.6	R391	R391-P418 PolarHBondContact NH1-O 3.18Å
419	I	78.3	Confident	89.2	Confident	6 Å²	6	34.8 Å²	34.8	3%	0.031	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-98.6	123.6	171.5	-170.4	171.6	0	0	0	109.2	P387 E417 A423 W424 L427 D440 G466	P387-I419 HydrophobicContact CB-CB 4.17Å; P387-I419 HydrophobicContact CB-CG1 4.24Å; P387-I419 HydrophobicContact CG-CB 3.8Å; P387-I419 HydrophobicContact CG-CG1 4.25Å; E417-I419 PolarHBondContact O-N 3.04Å; I419-A423 HydrophobicContact CD1-CB 4.35Å; I419-A423 HydrophobicContact CG1-CB 3.99Å; I419-W424 HydrophobicContact CD1-CB 4.02Å; I419-W424 HydrophobicContact CG1-CB 4.16Å; I419-W424 HydrophobicContact CG2-CB 4.46Å; I419-L427 HydrophobicContact CD1-CD1 3.79Å; I419-D440 HydrophobicContact CG2-CB 4.18Å; I419-G466 WeakPolarHBondContact O-CA 3.45Å
420	N	76.9	Confident	89.2	Confident	21 Å²	21	35.5 Å²	35.5	11%	0.112	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-72.7	159.8	176.6	70.8	-5.4	0	0	0	111	E422 A423 W424	N420-E422 VanDerWaalsContact C-N 3.31Å; N420-E422 PolarHBondContact O-N 3.48Å; N420-A423 PolarHBondContact O-N 2.88Å; N420-A423 WeakPolarHBondContact OD1-CB 3.34Å; N420-A423 PolarHBondContact OD1-N 3.25Å; N420-W424 WeakPolarHBondContact O-CB 3.27Å; N420-W424 PolarHBondContact O-N 2.97Å
421	C	80.1	Confident	89.1	Confident	68 Å²	68	31.9 Å²	31.9	46%	0.459	17%	0.174	S	C	.	.	H	α-helix	trans	-56.8	-42.1	-177.5	-70.3	0	0	0	0	112.6	W424 E425	C421-W424 PolarHBondContact O-N 2.8Å; C421-E425 WeakPolarHBondContact O-CB 3.27Å; C421-E425 WeakPolarHBondContact O-CG 3.37Å; C421-E425 PolarHBondContact O-N 3.16Å
422	E	81.8	Confident	89.1	Confident	95 Å²	95	31.5 Å²	31.5	44%	0.444	17%	0.172	S	C	.	.	H	α-helix	trans	-59.7	-49.9	179.6	-171.8	-170.6	-160.7	0	0	112.1	L394 N420 W424 E425 W426	L394-E422 HydrophobicContact CD2-CG 3.97Å; N420-E422 VanDerWaalsContact C-N 3.31Å; N420-E422 PolarHBondContact O-N 3.48Å; E422-W424 VanDerWaalsContact C-N 3.33Å; E422-W424 PolarHBondContact O-N 2.86Å; E422-E425 PolarHBondContact O-N 3.2Å; E422-W426 WeakPolarHBondContact O-CB 3.48Å; E422-W426 PolarHBondContact O-N 3.11Å
423	A	82.3	Confident	89	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-67.6	-35.9	179.1	0	0	0	0	0	111.9	V390 R391 I419 N420 L427	V390-A423 HydrophobicContact CG1-CB 3.95Å; R391-A423 HydrophobicContact CG-CB 3.96Å; I419-A423 HydrophobicContact CD1-CB 4.35Å; I419-A423 HydrophobicContact CG1-CB 3.99Å; N420-A423 PolarHBondContact O-N 2.88Å; N420-A423 WeakPolarHBondContact OD1-CB 3.34Å; N420-A423 PolarHBondContact OD1-N 3.25Å; A423-L427 PolarHBondContact O-N 2.86Å
424	W	92.4	Very high	89	Confident	17 Å²	17	38 Å²	38	6%	0.064	21%	0.212	C	C	.	.	H	α-helix	trans	-63.1	-49.9	174.8	-171.1	103.3	0	0	0	111	I419 N420 C421 E422 W426 L427 H428 L438 I463 P465 G466	I419-W424 HydrophobicContact CD1-CB 4.02Å; I419-W424 HydrophobicContact CG1-CB 4.16Å; I419-W424 HydrophobicContact CG2-CB 4.46Å; N420-W424 WeakPolarHBondContact O-CB 3.27Å; N420-W424 PolarHBondContact O-N 2.97Å; C421-W424 PolarHBondContact O-N 2.8Å; E422-W424 VanDerWaalsContact C-N 3.33Å; E422-W424 PolarHBondContact O-N 2.86Å; W424-W426 VanDerWaalsContact C-N 3.29Å; W424-W426 PolarHBondContact O-N 3Å; W424-L427 PolarHBondContact O-N 2.94Å; W424-H428 HydrophobicContact CE3-CB 4.09Å; W424-H428 HydrophobicContact CH2-CB 3.98Å; W424-H428 AromaticContact CH2-CG 3.88Å; W424-H428 HydrophobicContact CZ3-CB 3.68Å; W424-H428 AromaticContact CZ3-CG 3.88Å; W424-H428 WeakPolarHBondContact O-CB 3.12Å; W424-H428 PolarHBondContact O-N 3.47Å; W424-L438 HydrophobicContact CD2-CD2 3.62Å; W424-L438 HydrophobicContact CD2-CG 4.5Å; W424-L438 VanDerWaalsContact CE2-CD2 3.43Å; W424-L438 HydrophobicContact CE3-CD2 4.35Å; W424-L438 HydrophobicContact CG-CD2 3.72Å; W424-L438 HydrophobicContact CZ2-CB 4.03Å; W424-L438 HydrophobicContact CZ2-CD2 3.98Å; W424-L438 HydrophobicContact CZ2-CG 4.18Å; W424-L438 WeakPolarHBondContact O-CD2 3.37Å; W424-I463 HydrophobicContact CZ2-CG2 3.85Å; W424-P465 HydrophobicContact CD2-CB 3.78Å; W424-P465 HydrophobicContact CD2-CG 4.44Å; W424-P465 HydrophobicContact CE3-CB 3.54Å; W424-P465 HydrophobicContact CE3-CG 3.85Å; W424-P465 HydrophobicContact CG-CB 4.29Å; W424-P465 HydrophobicContact CH2-CG 4.24Å; W424-P465 HydrophobicContact CZ3-CB 3.99Å; W424-P465 HydrophobicContact CZ3-CG 3.75Å; W424-G466 VanDerWaalsContact CD1-N 3.25Å
425	E	93.9	Very high	89.2	Confident	70 Å²	70	44.3 Å²	44.3	33%	0.327	24%	0.236	S	C	.	.	H	α-helix	trans	-61.6	-39.6	178.9	-75.7	-162.5	147.6	0	0	111.3	C421 E422 H428 R429	C421-E425 WeakPolarHBondContact O-CB 3.27Å; C421-E425 WeakPolarHBondContact O-CG 3.37Å; C421-E425 PolarHBondContact O-N 3.16Å; E422-E425 PolarHBondContact O-N 3.2Å; E425-H428 PolarHBondContact O-N 2.78Å; E425-R429 VanDerWaalsContact O-CB 3.24Å; E425-R429 WeakPolarHBondContact O-CB 3.41Å; E425-R429 WeakPolarHBondContact O-CG 3.27Å; E425-R429 PolarHBondContact O-N 2.91Å; E425-R429 IonicContact OE1-CZ 2.82Å; E425-R429 IonicContact OE1-NH1 2.64Å; E425-R429 IonicContact OE1-NH2 2.7Å; E425-R429 PolarHBondContact OE1-NH2 2.86Å; E425-R429 IonicContact OE2-CZ 3.89Å; E425-R429 IonicContact OE2-NH1 3.3Å; E425-R429 PolarHBondContact OE2-NH1 2.99Å; E425-R429 VanDerWaalsContact OE2-NH1 3.08Å; E425-R429 IonicContact OE2-NH2 3.67Å
426	W	95	Very high	89.5	Confident	13 Å²	13	44 Å²	44	5%	0.049	23%	0.234	C	C	.	.	H	α-helix	trans	-65.5	-45	176.2	-177.1	84.4	0	0	0	112.5	W372 V390 L393 L394 D398 V401 E422 W424 H428 V430 V431	W372-W426 AromaticContact CZ2-CH2 3.86Å; W372-W426 HydrophobicContact CZ2-CH2 3.86Å; W372-W426 HydrophobicContact CZ2-CZ3 4.14Å; V390-W426 HydrophobicContact CG1-CE3 3.82Å; V390-W426 HydrophobicContact CG1-CZ3 3.95Å; L393-W426 HydrophobicContact CB-CH2 3.8Å; L393-W426 HydrophobicContact CB-CZ3 4.37Å; L394-W426 HydrophobicContact CB-CD2 4.35Å; L394-W426 HydrophobicContact CD1-CB 3.78Å; L394-W426 HydrophobicContact CD1-CD2 3.82Å; L394-W426 HydrophobicContact CD1-CG 3.35Å; D398-W426 PolarHBondContact OD1-NE1 2.62Å; V401-W426 HydrophobicContact CG2-CH2 3.91Å; V401-W426 HydrophobicContact CG2-CZ2 3.46Å; V401-W426 VanDerWaalsContact CG2-CZ2 3.46Å; E422-W426 WeakPolarHBondContact O-CB 3.48Å; E422-W426 PolarHBondContact O-N 3.11Å; W424-W426 VanDerWaalsContact C-N 3.29Å; W424-W426 PolarHBondContact O-N 3Å; W426-H428 VanDerWaalsContact C-N 3.34Å; W426-H428 PolarHBondContact O-N 2.87Å; W426-V430 VanDerWaalsContact CD1-CG2 3.45Å; W426-V430 HydrophobicContact CD2-CB 4.46Å; W426-V430 HydrophobicContact CG-CB 4.18Å; W426-V430 HydrophobicContact CG-CG2 4.2Å; W426-V430 WeakPolarHBondContact O-CA 3Å; W426-V430 VanDerWaalsContact O-CB 3.24Å; W426-V430 WeakPolarHBondContact O-CB 3.44Å; W426-V430 PolarHBondContact O-N 2.98Å; W426-V431 HydrophobicContact CD2-CG2 4.48Å; W426-V431 HydrophobicContact CE3-CG2 3.98Å; W426-V431 HydrophobicContact CH2-CG2 3.96Å; W426-V431 HydrophobicContact CZ2-CG2 4.47Å; W426-V431 HydrophobicContact CZ3-CG2 3.68Å; W426-V431 PolarHBondContact O-N 2.77Å
427	L	95.5	Very high	90.5	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	22%	0.217	C	C	.	.	I	π-helix	trans	-57.2	-49.5	172.8	-84.2	179.6	0	0	0	111.1	V390 L412 I419 A423 W424 V431 G432 L438	V390-L427 HydrophobicContact CB-CG 4.49Å; V390-L427 HydrophobicContact CG1-CD1 3.95Å; V390-L427 HydrophobicContact CG1-CD2 3.92Å; V390-L427 HydrophobicContact CG1-CG 3.55Å; V390-L427 HydrophobicContact CG2-CD1 3.86Å; V390-L427 HydrophobicContact CG2-CD2 3.97Å; V390-L427 HydrophobicContact CG2-CG 4.11Å; L412-L427 HydrophobicContact CD1-CB 4.31Å; L412-L427 WeakPolarHBondContact CD1-O 3.46Å; I419-L427 HydrophobicContact CD1-CD1 3.79Å; A423-L427 PolarHBondContact O-N 2.86Å; W424-L427 PolarHBondContact O-N 2.94Å; L427-V431 HydrophobicContact CD2-CB 4.3Å; L427-V431 HydrophobicContact CD2-CG2 3.99Å; L427-V431 VanDerWaalsContact O-CB 3.29Å; L427-V431 WeakPolarHBondContact O-CB 3.26Å; L427-V431 PolarHBondContact O-N 2.92Å; L427-G432 PolarHBondContact O-N 3.44Å; L427-L438 HydrophobicContact CB-CD1 4.45Å; L427-L438 HydrophobicContact CB-CD2 3.72Å; L427-L438 HydrophobicContact CD1-CD1 3.98Å; L427-L438 HydrophobicContact CD1-CD2 4.28Å
428	H	97.5	Very high	91.6	Very high	45 Å²	45	41.6 Å²	41.6	21%	0.208	21%	0.209	C	C	.	.	I	π-helix	trans	-66.4	-52.9	-176.5	-179.1	-111.2	0	0	0	112	W424 E425 W426 G432 D433 S434 C436 L438	W424-H428 HydrophobicContact CE3-CB 4.09Å; W424-H428 HydrophobicContact CH2-CB 3.98Å; W424-H428 AromaticContact CH2-CG 3.88Å; W424-H428 HydrophobicContact CZ3-CB 3.68Å; W424-H428 AromaticContact CZ3-CG 3.88Å; W424-H428 WeakPolarHBondContact O-CB 3.12Å; W424-H428 PolarHBondContact O-N 3.47Å; E425-H428 PolarHBondContact O-N 2.78Å; W426-H428 VanDerWaalsContact C-N 3.34Å; W426-H428 PolarHBondContact O-N 2.87Å; H428-G432 CarbonylContact O-C 3.37Å; H428-G432 WeakPolarHBondContact O-CA 3.47Å; H428-G432 PolarHBondContact O-N 3.06Å; H428-D433 PolarHBondContact O-N 3.11Å; H428-S434 WeakPolarHBondContact O-CA 3.42Å; H428-S434 PolarHBondContact O-N 2.66Å; H428-C436 PolarHBondContact CD2-O 3.44Å; H428-L438 HydrophobicContact CB-CD2 4.06Å
429	R	97.7	Very high	92.6	Very high	136 Å²	136	38.6 Å²	38.6	51%	0.513	19%	0.19	S	C	.	.	I	π-helix	trans	-80.1	-46.6	-173.1	-64.9	-176.5	-178.7	143.5	13.6	113.1	E425 D433	E425-R429 VanDerWaalsContact O-CB 3.24Å; E425-R429 WeakPolarHBondContact O-CB 3.41Å; E425-R429 WeakPolarHBondContact O-CG 3.27Å; E425-R429 PolarHBondContact O-N 2.91Å; E425-R429 IonicContact OE1-CZ 2.82Å; E425-R429 IonicContact OE1-NH1 2.64Å; E425-R429 IonicContact OE1-NH2 2.7Å; E425-R429 PolarHBondContact OE1-NH2 2.86Å; E425-R429 IonicContact OE2-CZ 3.89Å; E425-R429 IonicContact OE2-NH1 3.3Å; E425-R429 PolarHBondContact OE2-NH1 2.99Å; E425-R429 VanDerWaalsContact OE2-NH1 3.08Å; E425-R429 IonicContact OE2-NH2 3.67Å; R429-D433 VanDerWaalsContact O-CA 3.31Å; R429-D433 WeakPolarHBondContact O-CA 3.3Å; R429-D433 PolarHBondContact O-N 3.31Å
430	V	97.4	Very high	93.4	Very high	16 Å²	16	39 Å²	39	10%	0.097	19%	0.192	C	C	.	.	I	π-helix	trans	-85.4	-52.5	-174.4	179.4	0	0	0	0	110.5	D398 V401 R406 W426	D398-V430 HydrophobicContact CB-CG1 4.01Å; D398-V430 WeakPolarHBondContact OD2-CG2 3.17Å; V401-V430 HydrophobicContact CB-CG1 4.32Å; V401-V430 HydrophobicContact CG2-CG1 4.38Å; R406-V430 PolarHBondContact NH1-O 3.37Å; R406-V430 PolarHBondContact NH2-O 2.64Å; W426-V430 VanDerWaalsContact CD1-CG2 3.45Å; W426-V430 HydrophobicContact CD2-CB 4.46Å; W426-V430 HydrophobicContact CG-CB 4.18Å; W426-V430 HydrophobicContact CG-CG2 4.2Å; W426-V430 WeakPolarHBondContact O-CA 3Å; W426-V430 VanDerWaalsContact O-CB 3.24Å; W426-V430 WeakPolarHBondContact O-CB 3.44Å; W426-V430 PolarHBondContact O-N 2.98Å
431	V	97.6	Very high	94.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.188	C	C	.	.	I	π-helix	trans	-75.4	-48.2	-176.8	-179.1	0	0	0	0	111.5	W372 V401 L409 L412 W426 L427	W372-V431 HydrophobicContact CE3-CG1 3.91Å; W372-V431 HydrophobicContact CH2-CB 4.28Å; W372-V431 HydrophobicContact CH2-CG1 3.61Å; W372-V431 HydrophobicContact CH2-CG2 3.62Å; W372-V431 HydrophobicContact CZ2-CG1 4.47Å; W372-V431 HydrophobicContact CZ2-CG2 3.83Å; W372-V431 HydrophobicContact CZ3-CB 4.39Å; W372-V431 HydrophobicContact CZ3-CG1 3.3Å; W372-V431 HydrophobicContact CZ3-CG2 4.16Å; V401-V431 HydrophobicContact CG1-CB 4.49Å; V401-V431 HydrophobicContact CG1-CG2 3.91Å; L409-V431 HydrophobicContact CD1-CG1 4.31Å; L412-V431 HydrophobicContact CD1-CB 4.27Å; L412-V431 HydrophobicContact CD1-CG1 4.24Å; L412-V431 HydrophobicContact CD2-CG1 4.1Å; W426-V431 HydrophobicContact CD2-CG2 4.48Å; W426-V431 HydrophobicContact CE3-CG2 3.98Å; W426-V431 HydrophobicContact CH2-CG2 3.96Å; W426-V431 HydrophobicContact CZ2-CG2 4.47Å; W426-V431 HydrophobicContact CZ3-CG2 3.68Å; W426-V431 PolarHBondContact O-N 2.77Å; L427-V431 HydrophobicContact CD2-CB 4.3Å; L427-V431 HydrophobicContact CD2-CG2 3.99Å; L427-V431 VanDerWaalsContact O-CB 3.29Å; L427-V431 WeakPolarHBondContact O-CB 3.26Å; L427-V431 PolarHBondContact O-N 2.92Å
432	G	97.5	Very high	95.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	-86.6	-2.6	-175.9	0	0	0	0	0	115.2	L427 H428 S434 R435 C436	L427-G432 PolarHBondContact O-N 3.44Å; H428-G432 CarbonylContact O-C 3.37Å; H428-G432 WeakPolarHBondContact O-CA 3.47Å; H428-G432 PolarHBondContact O-N 3.06Å; G432-S434 PolarHBondContact O-N 3.36Å; G432-R435 WeakPolarHBondContact O-CB 3.48Å; G432-R435 PolarHBondContact O-N 2.85Å; G432-C436 PolarHBondContact O-N 3.1Å
433	D	97.1	Very high	96	Very high	70 Å²	70	32.7 Å²	32.7	37%	0.374	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	52	30.8	-173.6	-64.4	-43.5	0	0	0	113.6	R406 H428 R429 R435	R406-D433 IonicContact CZ-OD1 2.84Å; R406-D433 IonicContact NH2-OD1 2.67Å; R406-D433 PolarHBondContact NH2-OD1 2.75Å; R406-D433 IonicContact NH2-OD2 2.83Å; R406-D433 PolarHBondContact NH2-OD2 2.86Å; H428-D433 PolarHBondContact O-N 3.11Å; R429-D433 VanDerWaalsContact O-CA 3.31Å; R429-D433 WeakPolarHBondContact O-CA 3.3Å; R429-D433 PolarHBondContact O-N 3.31Å; D433-R435 HydrophobicContact CB-CG 4.41Å; D433-R435 PolarHBondContact O-N 3.25Å; D433-R435 IonicContact OD2-NH2 2.75Å
434	S	96.8	Very high	96.6	Very high	71 Å²	71	33.8 Å²	33.8	50%	0.497	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	14	-171.1	-45.2	0	0	0	0	114.9	H428 G432	H428-S434 WeakPolarHBondContact O-CA 3.42Å; H428-S434 PolarHBondContact O-N 2.66Å; G432-S434 PolarHBondContact O-N 3.36Å
435	R	96.5	Very high	96.6	Very high	131 Å²	131	34 Å²	34	49%	0.494	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-32.4	178.2	-59.8	177.9	-60.9	98.4	4.9	112.2	R406 G432 D433	R406-R435 PolarHBondContact O-NH2 3.4Å; G432-R435 WeakPolarHBondContact O-CB 3.48Å; G432-R435 PolarHBondContact O-N 2.85Å; D433-R435 HydrophobicContact CB-CG 4.41Å; D433-R435 PolarHBondContact O-N 3.25Å; D433-R435 IonicContact OD2-NH2 2.75Å
436	C	97.5	Very high	96.8	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.014	15%	0.151	C	C	.	.	S	Bend	trans	-80.6	139.1	-174	-61.2	0	0	0	0	111.1	L409 R410 L412 H428 G432 L438	L409-C436 VanDerWaalsContact C-SG 3.57Å; L409-C436 PolarHBondContact O-SG 3.05Å; L409-C436 VanDerWaalsContact O-SG 3.36Å; R410-C436 CarbonylContact O-C 3.59Å; R410-C436 VanDerWaalsContact O-CA 3.22Å; R410-C436 WeakPolarHBondContact O-CA 3.34Å; R410-C436 WeakPolarHBondContact O-CB 3.32Å; L412-C436 HydrophobicContact CD1-CB 4.18Å; L412-C436 HydrophobicContact CG-CB 3.92Å; H428-C436 PolarHBondContact CD2-O 3.44Å; G432-C436 PolarHBondContact O-N 3.1Å; C436-L438 PolarHBondContact O-N 2.95Å
437	T	96.9	Very high	96.9	Very high	47 Å²	47	31 Å²	31	29%	0.288	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	128.1	166.2	-64.9	0	0	0	0	108.7	R410 T411 L412 V439 R455 I463	R410-T437 PolarHBondContact O-N 3.09Å; T411-T437 CarbonylContact C-O 3.56Å; T411-T437 WeakPolarHBondContact CA-O 3.17Å; L412-T437 PolarHBondContact N-O 2.81Å; T437-V439 HydrophobicContact CG2-CG1 4.09Å; T437-R455 HydrophobicContact CG2-CG 3.99Å; T437-I463 HydrophobicContact CG2-CD1 3.7Å
438	L	97.8	Very high	97.1	Very high	2 Å²	2	31 Å²	31	1%	0.01	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	113.3	175.2	177.1	54.6	0	0	0	110.2	L412 W424 L427 H428 C436	L412-L438 HydrophobicContact CB-CB 4.4Å; L412-L438 HydrophobicContact CB-CD1 3.58Å; L412-L438 CarbonylContact O-C 3.52Å; L412-L438 VanDerWaalsContact O-CA 3.32Å; L412-L438 WeakPolarHBondContact O-CA 3.17Å; W424-L438 HydrophobicContact CD2-CD2 3.62Å; W424-L438 HydrophobicContact CD2-CG 4.5Å; W424-L438 VanDerWaalsContact CE2-CD2 3.43Å; W424-L438 HydrophobicContact CE3-CD2 4.35Å; W424-L438 HydrophobicContact CG-CD2 3.72Å; W424-L438 HydrophobicContact CZ2-CB 4.03Å; W424-L438 HydrophobicContact CZ2-CD2 3.98Å; W424-L438 HydrophobicContact CZ2-CG 4.18Å; W424-L438 WeakPolarHBondContact O-CD2 3.37Å; L427-L438 HydrophobicContact CB-CD1 4.45Å; L427-L438 HydrophobicContact CB-CD2 3.72Å; L427-L438 HydrophobicContact CD1-CD1 3.98Å; L427-L438 HydrophobicContact CD1-CD2 4.28Å; H428-L438 HydrophobicContact CB-CD2 4.06Å; C436-L438 PolarHBondContact O-N 2.95Å
439	V	97.6	Very high	97.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	112.2	178.2	-66.7	0	0	0	0	110.7	V321 F322 T411 L412 G413 S414 T437 T441 R455	V321-V439 HydrophobicContact CG1-CB 4.21Å; V321-V439 HydrophobicContact CG1-CG1 4.29Å; V321-V439 HydrophobicContact CG1-CG2 4.1Å; F322-V439 HydrophobicContact CD1-CG2 4.21Å; F322-V439 HydrophobicContact CE1-CG2 4.01Å; T411-V439 HydrophobicContact CG2-CG2 4.14Å; L412-V439 WeakPolarHBondContact O-CG2 3.48Å; L412-V439 PolarHBondContact O-N 3.24Å; G413-V439 CarbonylContact C-O 3.59Å; G413-V439 VanDerWaalsContact CA-O 3.27Å; G413-V439 WeakPolarHBondContact CA-O 3.44Å; S414-V439 PolarHBondContact N-O 3.49Å; T437-V439 HydrophobicContact CG2-CG1 4.09Å; V439-T441 HydrophobicContact CB-CG2 4.22Å; V439-T441 HydrophobicContact CG2-CG2 4.09Å; V439-R455 HydrophobicContact CG1-CB 3.95Å; V439-R455 HydrophobicContact CG1-CG 3.74Å
440	D	95.8	Very high	97.2	Very high	13 Å²	13	22.4 Å²	22.4	7%	0.07	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	123	166.1	-172	35.3	0	0	0	109.4	S414 I419 A453 P454	S414-D440 WeakPolarHBondContact CB-OD1 3.43Å; S414-D440 PolarHBondContact OG-OD1 2.84Å; I419-D440 HydrophobicContact CG2-CB 4.18Å; D440-A453 WeakPolarHBondContact O-CA 3.36Å; D440-P454 WeakPolarHBondContact O-CD 3.26Å
441	T	97.9	Very high	97.2	Very high	5 Å²	5	21.6 Å²	21.6	3%	0.031	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	114.8	-166.9	63.4	0	0	0	0	111.3	V321 Y384 S414 V439 I450 A453	V321-T441 HydrophobicContact CG1-CG2 4.11Å; Y384-T441 HydrophobicContact CE2-CG2 4.35Å; Y384-T441 WeakPolarHBondContact CE2-OG1 3.27Å; Y384-T441 PolarHBondContact OH-OG1 3.3Å; S414-T441 PolarHBondContact O-N 3.24Å; S414-T441 PolarHBondContact O-OG1 2.95Å; V439-T441 HydrophobicContact CB-CG2 4.22Å; V439-T441 HydrophobicContact CG2-CG2 4.09Å; T441-I450 HydrophobicContact CG2-CD1 3.88Å; T441-I450 HydrophobicContact CG2-CG1 4.23Å; T441-I450 HydrophobicContact CG2-CG2 4.25Å; T441-A453 HydrophobicContact CG2-CB 4.07Å
442	W	97.9	Very high	97.3	Very high	25 Å²	25	21.7 Å²	21.7	10%	0.095	11%	0.11	C	C	.	.	B	Isolated β-bridge	trans	-99.6	131.2	173.5	175.9	87	0	0	0	111.6	Q444 C451 I452 A468 L496 T530 D532 I544	W442-Q444 HydrophobicContact CZ2-CG 4.26Å; W442-C451 HydrophobicContact CE3-CB 3.84Å; W442-C451 HydrophobicContact CZ3-CB 3.58Å; W442-C451 PolarHBondContact O-N 3.48Å; W442-I452 HydrophobicContact CB-CB 4.39Å; W442-I452 HydrophobicContact CD2-CD1 4.44Å; W442-I452 HydrophobicContact CE3-CB 4Å; W442-I452 HydrophobicContact CE3-CD1 3.63Å; W442-I452 HydrophobicContact CE3-CG1 3.65Å; W442-I452 HydrophobicContact CZ3-CD1 3.88Å; W442-I452 HydrophobicContact CZ3-CG1 4.03Å; W442-I452 PolarHBondContact N-O 2.86Å; W442-I452 PolarHBondContact O-N 3.1Å; W442-I452 VanDerWaalsContact O-N 3.08Å; W442-A468 HydrophobicContact CB-CB 3.96Å; W442-L496 HydrophobicContact CE3-CD2 4.46Å; W442-L496 HydrophobicContact CH2-CD2 3.63Å; W442-L496 HydrophobicContact CZ2-CD2 3.65Å; W442-L496 HydrophobicContact CZ3-CD2 4.03Å; W442-T530 HydrophobicContact CH2-CG2 3.55Å; W442-T530 HydrophobicContact CZ2-CG2 3.92Å; W442-D532 HydrophobicContact CZ2-CB 4.44Å; W442-D532 WeakPolarHBondContact CZ2-OD2 3.28Å; W442-D532 PolarHBondContact NE1-OD2 3.14Å; W442-I544 HydrophobicContact CB-CD1 4.28Å; W442-I544 HydrophobicContact CB-CG1 3.9Å; W442-I544 VanDerWaalsContact CD1-CG1 3.49Å; W442-I544 HydrophobicContact CD2-CD1 3.82Å; W442-I544 HydrophobicContact CD2-CG1 4.28Å; W442-I544 HydrophobicContact CG-CD1 3.68Å; W442-I544 HydrophobicContact CG-CG1 3.59Å
443	W	97.6	Very high	97.3	Very high	23 Å²	23	21.8 Å²	21.8	9%	0.087	11%	0.111	C	C	.	.			trans	-176.7	176	178.3	59.1	-58.3	0	0	0	110.8	I339 T340 Y344 Y384 V415 T447 G448 G449 I450	I339-W443 HydrophobicContact CB-CH2 4.38Å; I339-W443 HydrophobicContact CB-CZ3 4.34Å; I339-W443 HydrophobicContact CG1-CH2 4.06Å; I339-W443 HydrophobicContact CG1-CZ3 3.64Å; I339-W443 HydrophobicContact CG2-CE3 4.49Å; I339-W443 HydrophobicContact CG2-CH2 3.83Å; I339-W443 HydrophobicContact CG2-CZ2 4.42Å; I339-W443 HydrophobicContact CG2-CZ3 3.89Å; T340-W443 HydrophobicContact CG2-CZ2 4.2Å; Y344-W443 AromaticContact CD2-CH2 3.54Å; Y344-W443 HydrophobicContact CD2-CH2 3.54Å; Y344-W443 AromaticContact CD2-CZ2 3.46Å; Y344-W443 HydrophobicContact CD2-CZ2 3.46Å; Y344-W443 VanDerWaalsContact CD2-CZ2 3.46Å; Y344-W443 HydrophobicContact CD2-CZ3 4.48Å; Y344-W443 HydrophobicContact CE2-CD2 4.27Å; Y344-W443 AromaticContact CE2-CE2 3.69Å; Y344-W443 HydrophobicContact CE2-CE3 4.31Å; Y344-W443 AromaticContact CE2-CH2 3.23Å; Y344-W443 HydrophobicContact CE2-CH2 3.23Å; Y344-W443 AromaticContact CE2-CZ2 3.2Å; Y344-W443 HydrophobicContact CE2-CZ2 3.2Å; Y344-W443 AromaticContact CE2-CZ3 3.81Å; Y344-W443 HydrophobicContact CE2-CZ3 3.81Å; Y384-W443 PolarHBondContact OH-NE1 2.77Å; V415-W443 HydrophobicContact CG2-CZ2 4.14Å; W443-T447 WeakPolarHBondContact CB-OG1 3.45Å; W443-G448 WeakPolarHBondContact CZ3-O 3.39Å; W443-G449 WeakPolarHBondContact CB-O 3.34Å; W443-G449 VanDerWaalsContact CE3-CA 3.43Å; W443-I450 HydrophobicContact CD2-CG1 4.33Å; W443-I450 HydrophobicContact CG-CG1 4.19Å
444	Q	94.6	Very high	97.3	Very high	23 Å²	23	18.5 Å²	18.5	11%	0.107	9%	0.093	C	C	.	.			trans	-136.3	173.3	-174.1	-46.4	177.8	-53.2	0	0	111.2	W442 E446 T447 Y528 T530 D532	W442-Q444 HydrophobicContact CZ2-CG 4.26Å; Q444-E446 PolarHBondContact O-N 3.25Å; Q444-T447 HydrophobicContact CB-CG2 4Å; Q444-T447 HydrophobicContact CG-CG2 4.19Å; Q444-T447 PolarHBondContact N-OG1 3.01Å; Q444-T447 PolarHBondContact O-N 2.97Å; Q444-T447 PolarHBondContact O-OG1 3.46Å; Q444-T447 VanDerWaalsContact O-OG1 3.04Å; Q444-Y528 PolarHBondContact OE1-OH 3.36Å; Q444-Y528 VanDerWaalsContact OE1-OH 3.07Å; Q444-T530 PolarHBondContact NE2-O 2.98Å; Q444-D532 PolarHBondContact NE2-OD2 3.01Å
445	T	92.2	Very high	97.2	Very high	22 Å²	22	17.2 Å²	17.2	14%	0.135	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-38.5	173.5	-64.2	0	0	0	0	110.9	L291 T293 I303 H305 I339 T447 G448	L291-T445 HydrophobicContact CB-CG2 4.26Å; L291-T445 HydrophobicContact CD2-CG2 3.86Å; L291-T445 HydrophobicContact CG-CG2 4.22Å; T293-T445 HydrophobicContact CG2-CG2 3.51Å; I303-T445 HydrophobicContact CB-CG2 4.12Å; I303-T445 HydrophobicContact CG1-CG2 4.16Å; I303-T445 HydrophobicContact CG2-CG2 4.23Å; H305-T445 PolarHBondContact NE2-O 3.47Å; I339-T445 HydrophobicContact CB-CG2 4.32Å; I339-T445 HydrophobicContact CD1-CG2 4.48Å; T445-T447 VanDerWaalsContact C-N 3.3Å; T445-T447 PolarHBondContact O-N 3.44Å; T445-G448 PolarHBondContact O-N 2.8Å
446	E	97.5	Very high	97.2	Very high	20 Å²	20	11.9 Å²	11.9	9%	0.093	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-20	-179.1	-63.7	91.5	158.2	0	0	113.5	K301 I303 Q444 M505 A506 Y520 Y528	K301-E446 IonicContact NZ-OE1 2.71Å; I303-E446 HydrophobicContact CD1-CG 3.93Å; I303-E446 HydrophobicContact CG1-CG 4.22Å; I303-E446 HydrophobicContact CG2-CG 4.23Å; Q444-E446 PolarHBondContact O-N 3.25Å; E446-M505 CarbonylContact O-C 3.43Å; E446-M505 WeakPolarHBondContact O-CA 3.48Å; E446-A506 HydrophobicContact CB-CB 4.42Å; E446-A506 WeakPolarHBondContact O-CB 3.38Å; E446-A506 PolarHBondContact O-N 2.7Å; E446-Y520 HydrophobicContact CB-CE1 4.43Å; E446-Y520 HydrophobicContact CG-CE1 3.7Å; E446-Y520 HydrophobicContact CG-CE2 4.39Å; E446-Y520 WeakPolarHBondContact CG-OH 3.33Å; E446-Y520 PolarHBondContact OE1-OH 3.04Å; E446-Y528 WeakPolarHBondContact CB-OH 3.31Å
447	T	98.5	Very high	97	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-15	178.8	70.7	0	0	0	0	113.4	W443 Q444 T445 G449 C451 W502 G504	W443-T447 WeakPolarHBondContact CB-OG1 3.45Å; Q444-T447 HydrophobicContact CB-CG2 4Å; Q444-T447 HydrophobicContact CG-CG2 4.19Å; Q444-T447 PolarHBondContact N-OG1 3.01Å; Q444-T447 PolarHBondContact O-N 2.97Å; Q444-T447 PolarHBondContact O-OG1 3.46Å; Q444-T447 VanDerWaalsContact O-OG1 3.04Å; T445-T447 VanDerWaalsContact C-N 3.3Å; T445-T447 PolarHBondContact O-N 3.44Å; T447-G449 PolarHBondContact O-N 3.08Å; T447-G449 PolarHBondContact OG1-O 2.83Å; T447-C451 WeakPolarHBondContact CB-SG 3.18Å; T447-W502 HydrophobicContact CG2-CZ2 3.83Å; T447-W502 PolarHBondContact O-NE1 3.31Å; T447-G504 CarbonylContact C-O 3.57Å; T447-G504 CarbonylContact O-C 3.49Å
448	G	98.3	Very high	96.8	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.073	C	C	.	.			trans	71.1	-29.4	178.3	0	0	0	0	0	115.4	H305 S343 W443 T445 G504	H305-G448 VanDerWaalsContact CE1-CA 3.46Å; H305-G448 WeakPolarHBondContact CE1-CA 3.4Å; S343-G448 PolarHBondContact OG-O 2.91Å; W443-G448 WeakPolarHBondContact CZ3-O 3.39Å; T445-G448 PolarHBondContact O-N 2.8Å; G448-G504 WeakPolarHBondContact CA-O 3.14Å
449	G	98.4	Very high	96.2	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.116	C	C	.	.	S	Bend	trans	-152.5	-176.4	176.8	0	0	0	0	0	112.5	Y313 Y344 W443 T447 C451	Y313-G449 VanDerWaalsContact CE1-C 3.48Å; Y313-G449 VanDerWaalsContact CE1-CA 3.47Å; Y344-G449 VanDerWaalsContact OH-CA 3.26Å; Y344-G449 WeakPolarHBondContact OH-CA 3.4Å; W443-G449 WeakPolarHBondContact CB-O 3.34Å; W443-G449 VanDerWaalsContact CE3-CA 3.43Å; T447-G449 PolarHBondContact O-N 3.08Å; T447-G449 PolarHBondContact OG1-O 2.83Å; G449-C451 PolarHBondContact O-N 2.87Å
450	I	98.8	Very high	95.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.151	C	C	.	.			trans	-68.3	124.6	-172	-71.1	156.9	0	0	0	110	Y313 T317 V321 F322 Y344 T441 W443 A453	Y313-I450 PolarHBondContact OH-O 3.36Å; T317-I450 HydrophobicContact CG2-CB 4.28Å; T317-I450 WeakPolarHBondContact CG2-O 3.4Å; V321-I450 HydrophobicContact CB-CD1 4.32Å; V321-I450 HydrophobicContact CG1-CD1 4.16Å; V321-I450 HydrophobicContact CG2-CB 4.45Å; V321-I450 HydrophobicContact CG2-CD1 4.35Å; V321-I450 HydrophobicContact CG2-CG2 4.1Å; F322-I450 HydrophobicContact CE2-CD1 3.67Å; F322-I450 HydrophobicContact CZ-CD1 4.08Å; Y344-I450 HydrophobicContact CE1-CD1 4.05Å; Y344-I450 HydrophobicContact CE2-CD1 3.82Å; Y344-I450 HydrophobicContact CE2-CG1 3.8Å; Y344-I450 VanDerWaalsContact CZ-CD1 3.5Å; Y344-I450 WeakPolarHBondContact OH-CD1 3.47Å; Y344-I450 WeakPolarHBondContact OH-CG1 3.26Å; Y344-I450 PolarHBondContact OH-N 2.85Å; T441-I450 HydrophobicContact CG2-CD1 3.88Å; T441-I450 HydrophobicContact CG2-CG1 4.23Å; T441-I450 HydrophobicContact CG2-CG2 4.25Å; W443-I450 HydrophobicContact CD2-CG1 4.33Å; W443-I450 HydrophobicContact CG-CG1 4.19Å; I450-A453 HydrophobicContact CG2-CB 3.73Å
451	C	98.6	Very high	95.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.158	C	C	.	.			trans	-103.6	-37.4	-177.1	-71.8	0	0	0	0	113.6	W442 T447 G449 P471 F472 I475	W442-C451 HydrophobicContact CE3-CB 3.84Å; W442-C451 HydrophobicContact CZ3-CB 3.58Å; W442-C451 PolarHBondContact O-N 3.48Å; T447-C451 WeakPolarHBondContact CB-SG 3.18Å; G449-C451 PolarHBondContact O-N 2.87Å; C451-P471 CarbonylContact O-C 3.44Å; C451-P471 WeakPolarHBondContact O-CA 3.33Å; C451-F472 PolarHBondContact O-N 2.82Å; C451-I475 HydrophobicContact CB-CD1 4.4Å; C451-I475 HydrophobicContact CB-CG1 4.19Å; C451-I475 HydrophobicContact CB-CG2 4.22Å
452	I	98.6	Very high	95.4	Very high	1 Å²	1	33 Å²	33	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	125.1	178.3	-55.1	175.1	0	0	0	108	W442 A468 R470 L496 Y542 I544	W442-I452 HydrophobicContact CB-CB 4.39Å; W442-I452 HydrophobicContact CD2-CD1 4.44Å; W442-I452 HydrophobicContact CE3-CB 4Å; W442-I452 HydrophobicContact CE3-CD1 3.63Å; W442-I452 HydrophobicContact CE3-CG1 3.65Å; W442-I452 HydrophobicContact CZ3-CD1 3.88Å; W442-I452 HydrophobicContact CZ3-CG1 4.03Å; W442-I452 PolarHBondContact N-O 2.86Å; W442-I452 PolarHBondContact O-N 3.1Å; W442-I452 VanDerWaalsContact O-N 3.08Å; I452-A468 HydrophobicContact CB-CB 4.22Å; I452-A468 HydrophobicContact CG2-CB 3.68Å; I452-R470 CarbonylContact C-O 3.54Å; I452-R470 VanDerWaalsContact CA-O 3.27Å; I452-R470 WeakPolarHBondContact CA-O 3.12Å; I452-R470 WeakPolarHBondContact CG2-O 3.39Å; I452-L496 HydrophobicContact CD1-CD2 4.18Å; I452-Y542 HydrophobicContact CD1-CG 4.41Å; I452-I544 HydrophobicContact CD1-CD1 4.41Å
453	A	97.9	Very high	95.2	Very high	3 Å²	3	33.6 Å²	33.6	3%	0.025	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	158.5	178.9	0	0	0	0	0	111.5	V321 D440 T441 I450 R455 A468 R470	V321-A453 HydrophobicContact CG1-CB 3.95Å; D440-A453 WeakPolarHBondContact O-CA 3.36Å; T441-A453 HydrophobicContact CG2-CB 4.07Å; I450-A453 HydrophobicContact CG2-CB 3.73Å; A453-R455 WeakPolarHBondContact CB-O 3.37Å; A453-R455 PolarHBondContact O-N 3.03Å; A453-R455 VanDerWaalsContact O-N 3.16Å; A453-A468 CarbonylContact C-O 3.44Å; A453-A468 WeakPolarHBondContact CA-O 3.42Å; A453-A468 PolarHBondContact N-O 3.07Å; A453-R470 PolarHBondContact N-O 2.88Å; A453-R470 WeakPolarHBondContact O-CB 3.4Å; A453-R470 PolarHBondContact O-N 2.79Å
454	P	97	Very high	95.1	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.194	C	C	.	.	S	Bend	trans	-61.9	-24.2	178.7	-26.9	34.2	0	0	0	114.6	D440 S457 I463 A468 M469 R470	D440-P454 WeakPolarHBondContact O-CD 3.26Å; P454-S457 PolarHBondContact O-OG 3.39Å; P454-I463 HydrophobicContact CB-CB 4.36Å; P454-I463 HydrophobicContact CB-CD1 3.9Å; P454-I463 HydrophobicContact CB-CG1 3.83Å; P454-I463 HydrophobicContact CB-CG2 3.83Å; P454-I463 HydrophobicContact CG-CG2 3.85Å; P454-A468 VanDerWaalsContact CD-O 3.26Å; P454-A468 WeakPolarHBondContact CD-O 3.04Å; P454-A468 VanDerWaalsContact N-O 3.09Å; P454-M469 HydrophobicContact CB-SD 3.99Å; P454-M469 HydrophobicContact CG-CG 4.44Å; P454-M469 HydrophobicContact CG-SD 4.14Å; P454-R470 PolarHBondContact O-NH1 3Å
455	R	96.2	Very high	94.8	Very high	44 Å²	44	36.6 Å²	36.6	17%	0.166	21%	0.206	C	C	.	.			trans	-121.6	151.8	178.2	-61.5	-61.3	-177.5	-174.1	-1.3	110	T437 V439 A453 S457 E458	T437-R455 HydrophobicContact CG2-CG 3.99Å; V439-R455 HydrophobicContact CG1-CB 3.95Å; V439-R455 HydrophobicContact CG1-CG 3.74Å; A453-R455 WeakPolarHBondContact CB-O 3.37Å; A453-R455 PolarHBondContact O-N 3.03Å; A453-R455 VanDerWaalsContact O-N 3.16Å; R455-S457 VanDerWaalsContact CD-OG 3.3Å; R455-S457 WeakPolarHBondContact CD-OG 3.44Å; R455-S457 PolarHBondContact NH1-OG 3.23Å; R455-E458 PolarHBondContact NH1-O 3.42Å
456	P	95.3	Very high	94.3	Very high	19 Å²	19	36.2 Å²	36.2	12%	0.123	21%	0.206	C	C	.	.	S	Bend	cis	-69.6	151.2	-0.6	30.3	-35.2	0	0	0	112.6	Y57 L320 F472 F473	Y57-P456 HydrophobicContact CD2-CG 4.4Å; Y57-P456 WeakPolarHBondContact CD2-O 3.31Å; Y57-P456 WeakPolarHBondContact CE2-O 3.37Å; L320-P456 HydrophobicContact CB-CB 4.45Å; L320-P456 HydrophobicContact CB-CG 4.4Å; P456-F472 HydrophobicContact CG-CD2 4.18Å; P456-F472 HydrophobicContact CG-CE2 4.07Å; P456-F473 HydrophobicContact CB-CZ 4.37Å; P456-F473 HydrophobicContact CG-CD2 4.45Å; P456-F473 HydrophobicContact CG-CE1 4.46Å; P456-F473 HydrophobicContact CG-CE2 3.77Å; P456-F473 HydrophobicContact CG-CZ 3.77Å
457	S	94.2	Very high	94	Very high	22 Å²	22	36.1 Å²	36.1	15%	0.154	21%	0.206	C	C	.	.			trans	-164.2	173.7	174	48.7	0	0	0	0	108.4	P454 R455	P454-S457 PolarHBondContact O-OG 3.39Å; R455-S457 VanDerWaalsContact CD-OG 3.3Å; R455-S457 WeakPolarHBondContact CD-OG 3.44Å; R455-S457 PolarHBondContact NH1-OG 3.23Å
458	E	91.6	Very high	93.7	Very high	91 Å²	91	36.2 Å²	36.2	43%	0.425	21%	0.207	S	C	.	.			trans	-57.2	151	176	-58.1	-51.5	143.7	0	0	112.2	S56 Y57 R455 G460 A461	S56-E458 WeakPolarHBondContact CA-OE1 3.27Å; S56-E458 WeakPolarHBondContact CB-OE1 3.35Å; Y57-E458 PolarHBondContact N-OE1 3.14Å; R455-E458 PolarHBondContact NH1-O 3.42Å; E458-G460 PolarHBondContact O-N 2.92Å; E458-A461 HydrophobicContact CB-CB 4.5Å; E458-A461 WeakPolarHBondContact O-CB 3.09Å; E458-A461 PolarHBondContact O-N 3.45Å
459	E	86.1	Confident	93.6	Very high	196 Å²	196	36.2 Å²	36.2	92%	0.916	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	134.1	173.1	-171.6	170.1	-168.8	0	0	110.2	A461	E459-A461 PolarHBondContact O-N 3.01Å
460	G	86.4	Confident	93.5	Very high	72 Å²	72	37.1 Å²	37.1	74%	0.742	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.5	-2.3	-176.5	0	0	0	0	0	116.1	E458 E462	E458-G460 PolarHBondContact O-N 2.92Å; G460-E462 PolarHBondContact O-N 3.33Å
461	A	92.4	Very high	93.5	Very high	26 Å²	26	38.2 Å²	38.2	22%	0.215	22%	0.218	C	C	.	.			trans	-56.6	140.1	174	0	0	0	0	0	111.6	E458 E459	E458-A461 HydrophobicContact CB-CB 4.5Å; E458-A461 WeakPolarHBondContact O-CB 3.09Å; E458-A461 PolarHBondContact O-N 3.45Å; E459-A461 PolarHBondContact O-N 3.01Å
462	E	94.4	Very high	93.4	Very high	106 Å²	106	38.5 Å²	38.5	50%	0.495	22%	0.219	S	C	.	.			trans	-62.1	148.7	-175.8	71	-175.7	148.8	0	0	112.4	G460 M469 R470 Y541	G460-E462 PolarHBondContact O-N 3.33Å; E462-M469 HydrophobicContact CG-CE 4.26Å; E462-M469 WeakPolarHBondContact O-CE 3.41Å; E462-R470 PolarHBondContact O-NH1 2.84Å; E462-R470 PolarHBondContact O-NH2 2.58Å; E462-Y541 HydrophobicContact CG-CE2 4.3Å; E462-Y541 WeakPolarHBondContact CG-OH 3.48Å; E462-Y541 VanDerWaalsContact OE1-CE2 3.26Å; E462-Y541 WeakPolarHBondContact OE1-CE2 3.44Å; E462-Y541 PolarHBondContact OE1-OH 2.87Å
463	I	95.6	Very high	93.4	Very high	38 Å²	38	39.1 Å²	39.1	20%	0.195	22%	0.222	C	C	.	.			trans	-124.5	116.3	170	-58.5	-175.3	0	0	0	107.3	W424 T437 P454 M469	W424-I463 HydrophobicContact CZ2-CG2 3.85Å; T437-I463 HydrophobicContact CG2-CD1 3.7Å; P454-I463 HydrophobicContact CB-CB 4.36Å; P454-I463 HydrophobicContact CB-CD1 3.9Å; P454-I463 HydrophobicContact CB-CG1 3.83Å; P454-I463 HydrophobicContact CB-CG2 3.83Å; P454-I463 HydrophobicContact CG-CG2 3.85Å; I463-M469 HydrophobicContact CB-SD 4.47Å; I463-M469 HydrophobicContact CG2-SD 4.26Å
464	L	94	Very high	93.3	Very high	53 Å²	53	39.1 Å²	39.1	28%	0.277	22%	0.222	S	C	.	.			trans	-83.3	132	178.1	-61.1	-179.2	0	0	0	109.6	G466 M467 M469 Y541	L464-G466 PolarHBondContact O-N 3.01Å; L464-M467 HydrophobicContact CB-CB 4.23Å; L464-M467 HydrophobicContact CB-SD 4.43Å; L464-M467 HydrophobicContact CD1-CE 4.23Å; L464-M467 HydrophobicContact CD1-SD 3.98Å; L464-M467 PolarHBondContact O-N 3.05Å; L464-M469 HydrophobicContact CB-CE 4.22Å; L464-M469 HydrophobicContact CB-SD 4.2Å; L464-M469 HydrophobicContact CD1-CE 4.23Å; L464-M469 HydrophobicContact CG-CE 3.81Å; L464-M469 HydrophobicContact CG-SD 4.45Å; L464-M469 PolarHBondContact N-SD 2.74Å; L464-Y541 HydrophobicContact CD1-CD2 3.6Å; L464-Y541 HydrophobicContact CD1-CE2 3.95Å; L464-Y541 HydrophobicContact CG-CD2 4.46Å; L464-Y541 HydrophobicContact CG-CE2 4.49Å
465	P	89.3	Confident	93.3	Very high	56 Å²	56	39.5 Å²	39.5	36%	0.364	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	137.1	177.7	-27.6	35.6	0	0	0	112.9	W424 M467	W424-P465 HydrophobicContact CD2-CB 3.78Å; W424-P465 HydrophobicContact CD2-CG 4.44Å; W424-P465 HydrophobicContact CE3-CB 3.54Å; W424-P465 HydrophobicContact CE3-CG 3.85Å; W424-P465 HydrophobicContact CG-CB 4.29Å; W424-P465 HydrophobicContact CH2-CG 4.24Å; W424-P465 HydrophobicContact CZ3-CB 3.99Å; W424-P465 HydrophobicContact CZ3-CG 3.75Å; P465-M467 PolarHBondContact O-N 2.57Å
466	G	81.4	Confident	93.4	Very high	13 Å²	13	39.3 Å²	39.3	13%	0.134	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	15.1	174.1	0	0	0	0	0	115.8	I419 W424 L464	I419-G466 WeakPolarHBondContact O-CA 3.45Å; W424-G466 VanDerWaalsContact CD1-N 3.25Å; L464-G466 PolarHBondContact O-N 3.01Å
467	M	90.8	Very high	93.5	Very high	18 Å²	18	39 Å²	39	9%	0.089	23%	0.225	C	C	.	.			trans	-123.6	133.9	-175.3	-164.6	179.4	-71.4	0	0	112.1	L464 P465 M469 T537 Y542 Q543	L464-M467 HydrophobicContact CB-CB 4.23Å; L464-M467 HydrophobicContact CB-SD 4.43Å; L464-M467 HydrophobicContact CD1-CE 4.23Å; L464-M467 HydrophobicContact CD1-SD 3.98Å; L464-M467 PolarHBondContact O-N 3.05Å; P465-M467 PolarHBondContact O-N 2.57Å; M467-M469 HydrophobicContact CB-CG 3.91Å; M467-M469 HydrophobicContact CG-CG 3.84Å; M467-M469 WeakPolarHBondContact O-CG 3.24Å; M467-M469 HydrophobicContact SD-CG 4.12Å; M467-T537 HydrophobicContact CE-CG2 3.98Å; M467-T537 HydrophobicContact SD-CG2 4.22Å; M467-Y542 WeakPolarHBondContact CG-O 3.38Å; M467-Q543 HydrophobicContact CE-CB 4.04Å; M467-Q543 HydrophobicContact CE-CG 4.43Å; M467-Q543 HydrophobicContact CG-CB 3.94Å; M467-Q543 HydrophobicContact CG-CG 4.33Å; M467-Q543 HydrophobicContact SD-CB 4.38Å
468	A	92.9	Very high	93.7	Very high	2 Å²	2	38.8 Å²	38.8	2%	0.017	22%	0.223	C	C	.	.			trans	-69.8	-32.2	175.1	0	0	0	0	0	112.3	W442 I452 A453 P454 R470 I544	W442-A468 HydrophobicContact CB-CB 3.96Å; I452-A468 HydrophobicContact CB-CB 4.22Å; I452-A468 HydrophobicContact CG2-CB 3.68Å; A453-A468 CarbonylContact C-O 3.44Å; A453-A468 WeakPolarHBondContact CA-O 3.42Å; A453-A468 PolarHBondContact N-O 3.07Å; P454-A468 VanDerWaalsContact CD-O 3.26Å; P454-A468 WeakPolarHBondContact CD-O 3.04Å; P454-A468 VanDerWaalsContact N-O 3.09Å; A468-R470 PolarHBondContact O-N 3.49Å; A468-R470 VanDerWaalsContact O-N 3.11Å; A468-I544 HydrophobicContact CB-CG1 4.4Å
469	M	95.3	Very high	94	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	68.6	-92.2	171.9	-52	-179.7	76.4	0	0	116.3	P454 E462 I463 L464 M467 Y541 Y542	P454-M469 HydrophobicContact CB-SD 3.99Å; P454-M469 HydrophobicContact CG-CG 4.44Å; P454-M469 HydrophobicContact CG-SD 4.14Å; E462-M469 HydrophobicContact CG-CE 4.26Å; E462-M469 WeakPolarHBondContact O-CE 3.41Å; I463-M469 HydrophobicContact CB-SD 4.47Å; I463-M469 HydrophobicContact CG2-SD 4.26Å; L464-M469 HydrophobicContact CB-CE 4.22Å; L464-M469 HydrophobicContact CB-SD 4.2Å; L464-M469 HydrophobicContact CD1-CE 4.23Å; L464-M469 HydrophobicContact CG-CE 3.81Å; L464-M469 HydrophobicContact CG-SD 4.45Å; L464-M469 PolarHBondContact N-SD 2.74Å; M467-M469 HydrophobicContact CB-CG 3.91Å; M467-M469 HydrophobicContact CG-CG 3.84Å; M467-M469 WeakPolarHBondContact O-CG 3.24Å; M467-M469 HydrophobicContact SD-CG 4.12Å; M469-Y541 HydrophobicContact CB-CD1 4.01Å; M469-Y541 HydrophobicContact CB-CG 4.23Å; M469-Y541 HydrophobicContact CE-CD1 3.77Å; M469-Y541 HydrophobicContact CE-CD2 3.64Å; M469-Y541 HydrophobicContact CE-CE1 3.63Å; M469-Y541 HydrophobicContact CE-CE2 3.48Å; M469-Y541 VanDerWaalsContact CE-CE2 3.48Å; M469-Y541 HydrophobicContact CE-CG 3.78Å; M469-Y541 VanDerWaalsContact CE-CZ 3.49Å; M469-Y541 HydrophobicContact CG-CG 4.44Å; M469-Y542 PolarHBondContact N-O 3.35Å; M469-Y542 PolarHBondContact O-N 2.91Å
470	R	96.9	Very high	94.4	Very high	19 Å²	19	25.2 Å²	25.2	7%	0.072	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	135.6	-157.6	-61.3	176.8	-176.3	85.5	5.5	110.7	I452 A453 P454 E462 A468 Y541	I452-R470 CarbonylContact C-O 3.54Å; I452-R470 VanDerWaalsContact CA-O 3.27Å; I452-R470 WeakPolarHBondContact CA-O 3.12Å; I452-R470 WeakPolarHBondContact CG2-O 3.39Å; A453-R470 PolarHBondContact N-O 2.88Å; A453-R470 WeakPolarHBondContact O-CB 3.4Å; A453-R470 PolarHBondContact O-N 2.79Å; P454-R470 PolarHBondContact O-NH1 3Å; E462-R470 PolarHBondContact O-NH1 2.84Å; E462-R470 PolarHBondContact O-NH2 2.58Å; A468-R470 PolarHBondContact O-N 3.49Å; A468-R470 VanDerWaalsContact O-N 3.11Å; R470-Y541 HydrophobicContact CG-CD1 4.03Å; R470-Y541 HydrophobicContact CG-CE1 4.02Å; R470-Y541 VanDerWaalsContact NH2-CZ 3.35Å; R470-Y541 PolarHBondContact NH2-OH 2.77Å
471	P	97.9	Very high	94.5	Very high	24 Å²	24	24.4 Å²	24.4	16%	0.156	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	140.9	173.5	26.9	-32.5	0	0	0	111.1	Y57 C451 I475 P477	Y57-P471 PolarHBondContact OH-O 3.22Å; C451-P471 CarbonylContact O-C 3.44Å; C451-P471 WeakPolarHBondContact O-CA 3.33Å; P471-I475 HydrophobicContact CB-CB 4.11Å; P471-I475 HydrophobicContact CB-CG2 4.17Å; P471-I475 WeakPolarHBondContact CB-O 3.39Å; P471-P477 HydrophobicContact CB-CG 4.02Å; P471-P477 HydrophobicContact CG-CG 4.14Å
472	F	98.1	Very high	94	Very high	5 Å²	5	29.7 Å²	29.7	2%	0.022	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-66.6	161.7	169.6	-167.7	-102.7	0	0	0	110.3	W72 Y313 L316 T317 L320 V321 C451 P456 G474 I475	W72-F472 HydrophobicContact CH2-CE1 4.22Å; Y313-F472 HydrophobicContact CD2-CE1 4.45Å; Y313-F472 AromaticContact CE2-CD1 3.7Å; Y313-F472 HydrophobicContact CE2-CD1 3.7Å; Y313-F472 AromaticContact CE2-CE1 3.95Å; Y313-F472 HydrophobicContact CE2-CE1 3.95Å; L316-F472 HydrophobicContact CB-CZ 4.32Å; T317-F472 HydrophobicContact CG2-CD1 3.79Å; T317-F472 HydrophobicContact CG2-CD2 4.18Å; T317-F472 HydrophobicContact CG2-CE1 3.56Å; T317-F472 HydrophobicContact CG2-CE2 3.99Å; T317-F472 HydrophobicContact CG2-CG 4.08Å; T317-F472 HydrophobicContact CG2-CZ 3.67Å; L320-F472 HydrophobicContact CB-CE2 4.14Å; L320-F472 HydrophobicContact CD1-CE2 4.28Å; L320-F472 HydrophobicContact CD1-CZ 4.03Å; V321-F472 HydrophobicContact CG2-CD2 4.02Å; V321-F472 HydrophobicContact CG2-CE2 4.05Å; C451-F472 PolarHBondContact O-N 2.82Å; P456-F472 HydrophobicContact CG-CD2 4.18Å; P456-F472 HydrophobicContact CG-CE2 4.07Å; F472-G474 PolarHBondContact O-N 2.89Å; F472-I475 HydrophobicContact CB-CG1 4.22Å; F472-I475 VanDerWaalsContact O-CB 3.31Å; F472-I475 WeakPolarHBondContact O-CB 3.34Å; F472-I475 PolarHBondContact O-N 2.68Å
473	F	97.3	Very high	93.4	Very high	15 Å²	15	33.5 Å²	33.5	7%	0.066	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	135.9	-180	-55.9	-48	0	0	0	112	Y57 L60 S61 A64 F71 W72 L320 P456 I475	Y57-F473 HydrophobicContact CD2-CD1 4.47Å; Y57-F473 AromaticContact CD2-CE1 3.57Å; Y57-F473 HydrophobicContact CD2-CE1 3.57Å; Y57-F473 HydrophobicContact CD2-CZ 4.07Å; Y57-F473 HydrophobicContact CE2-CD1 4.5Å; Y57-F473 HydrophobicContact CE2-CE1 4.01Å; Y57-F473 HydrophobicContact CG-CE1 4.45Å; L60-F473 HydrophobicContact CB-CD1 4.07Å; L60-F473 HydrophobicContact CB-CE1 3.59Å; L60-F473 HydrophobicContact CB-CZ 3.92Å; L60-F473 HydrophobicContact CD1-CE1 4.43Å; L60-F473 HydrophobicContact CD1-CE2 4.39Å; L60-F473 HydrophobicContact CD1-CZ 3.9Å; S61-F473 WeakPolarHBondContact OG-CD1 3.48Å; S61-F473 WeakPolarHBondContact OG-CE1 3.38Å; A64-F473 HydrophobicContact CB-CB 4.2Å; F71-F473 HydrophobicContact CE1-CB 3.65Å; F71-F473 HydrophobicContact CE1-CG 4.36Å; F71-F473 HydrophobicContact CZ-CB 3.53Å; F71-F473 HydrophobicContact CZ-CD1 4.48Å; F71-F473 AromaticContact CZ-CD2 3.93Å; F71-F473 HydrophobicContact CZ-CD2 3.93Å; F71-F473 AromaticContact CZ-CG 3.75Å; F71-F473 HydrophobicContact CZ-CG 3.75Å; W72-F473 WeakPolarHBondContact CZ2-O 3.49Å; L320-F473 HydrophobicContact CD1-CD2 4.28Å; L320-F473 HydrophobicContact CD1-CE2 4.01Å; P456-F473 HydrophobicContact CB-CZ 4.37Å; P456-F473 HydrophobicContact CG-CD2 4.45Å; P456-F473 HydrophobicContact CG-CE1 4.46Å; P456-F473 HydrophobicContact CG-CE2 3.77Å; P456-F473 HydrophobicContact CG-CZ 3.77Å; F473-I475 PolarHBondContact O-N 3.4Å
474	G	95.9	Very high	93	Very high	3 Å²	3	33.5 Å²	33.5	3%	0.031	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.5	-3	-178.2	0	0	0	0	0	114.9	A64 F472	A64-G474 VanDerWaalsContact CB-N 3.33Å; F472-G474 PolarHBondContact O-N 2.89Å
475	I	98.4	Very high	93	Very high	8 Å²	8	33.9 Å²	33.9	4%	0.041	19%	0.19	C	C	.	.			trans	-89.9	117.1	170.7	-54.9	-57.5	0	0	0	108.4	Y313 C451 P471 F472 F473 P477 I498 W502	Y313-I475 WeakPolarHBondContact OH-CD1 3.4Å; C451-I475 HydrophobicContact CB-CD1 4.4Å; C451-I475 HydrophobicContact CB-CG1 4.19Å; C451-I475 HydrophobicContact CB-CG2 4.22Å; P471-I475 HydrophobicContact CB-CB 4.11Å; P471-I475 HydrophobicContact CB-CG2 4.17Å; P471-I475 WeakPolarHBondContact CB-O 3.39Å; F472-I475 HydrophobicContact CB-CG1 4.22Å; F472-I475 VanDerWaalsContact O-CB 3.31Å; F472-I475 WeakPolarHBondContact O-CB 3.34Å; F472-I475 PolarHBondContact O-N 2.68Å; F473-I475 PolarHBondContact O-N 3.4Å; I475-P477 VanDerWaalsContact O-CD 3.25Å; I475-P477 WeakPolarHBondContact O-CD 3.36Å; I475-I498 HydrophobicContact CG2-CD1 4.19Å; I475-I498 HydrophobicContact CG2-CG1 4.4Å; I475-I498 HydrophobicContact CG2-CG2 4.34Å; I475-W502 HydrophobicContact CD1-CB 3.87Å; I475-W502 HydrophobicContact CD1-CD2 3.49Å; I475-W502 VanDerWaalsContact CD1-CD2 3.49Å; I475-W502 HydrophobicContact CD1-CE3 3.87Å; I475-W502 HydrophobicContact CD1-CG 3.48Å; I475-W502 VanDerWaalsContact CD1-CG 3.48Å
476	V	97.6	Very high	93.3	Very high	39 Å²	39	34.1 Å²	34.1	24%	0.236	19%	0.19	C	C	.	.			trans	-115.9	86.1	-179.1	-170.4	0	0	0	0	108.5	A65 I498 S499 Q500	A65-V476 HydrophobicContact CB-CG2 3.8Å; V476-I498 WeakPolarHBondContact O-CA 3.3Å; V476-S499 WeakPolarHBondContact CB-OG 3.49Å; V476-S499 VanDerWaalsContact CG1-OG 3.24Å; V476-S499 WeakPolarHBondContact CG1-OG 3.23Å; V476-S499 PolarHBondContact O-N 2.85Å; V476-S499 PolarHBondContact O-OG 2.99Å; V476-Q500 HydrophobicContact CB-CB 4.37Å; V476-Q500 HydrophobicContact CG2-CB 4.13Å
477	P	97.6	Very high	93.9	Very high	12 Å²	12	35 Å²	35	8%	0.078	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	141.8	-178.6	28.2	-33.2	0	0	0	111.4	P471 I475 L496 C497 Y542	P471-P477 HydrophobicContact CB-CG 4.02Å; P471-P477 HydrophobicContact CG-CG 4.14Å; I475-P477 VanDerWaalsContact O-CD 3.25Å; I475-P477 WeakPolarHBondContact O-CD 3.36Å; P477-L496 HydrophobicContact CB-CD1 3.83Å; P477-C497 CarbonylContact C-O 3.6Å; P477-C497 WeakPolarHBondContact CA-O 3.33Å; P477-Y542 HydrophobicContact CB-CD1 4.35Å; P477-Y542 HydrophobicContact CB-CE1 3.8Å; P477-Y542 HydrophobicContact CB-CE2 4.22Å; P477-Y542 HydrophobicContact CG-CD2 4.06Å; P477-Y542 HydrophobicContact CG-CE1 3.94Å; P477-Y542 HydrophobicContact CG-CE2 3.42Å; P477-Y542 VanDerWaalsContact CG-CE2 3.42Å; P477-Y542 PolarHBondContact O-OH 3.33Å
478	V	97.4	Very high	94	Very high	19 Å²	19	42 Å²	42	12%	0.115	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	148.4	171	-59.8	0	0	0	0	109	M480 C497 Y527	V478-M480 HydrophobicContact CG2-CE 3.67Å; V478-M480 HydrophobicContact CG2-SD 4.46Å; V478-C497 HydrophobicContact CG2-CB 3.78Å; V478-C497 PolarHBondContact N-O 2.98Å; V478-C497 PolarHBondContact O-N 3.13Å; V478-C497 VanDerWaalsContact O-O 3.12Å; V478-Y527 HydrophobicContact CG1-CE1 4.39Å; V478-Y527 HydrophobicContact CG2-CD1 3.54Å; V478-Y527 HydrophobicContact CG2-CE1 3.76Å; V478-Y527 HydrophobicContact CG2-CG 4.45Å
479	L	97.5	Very high	93.7	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	130.5	175	-59.1	-176.1	0	0	0	108.6	V487 V492 A495 L496 A534 R536 Y542	L479-V487 HydrophobicContact CB-CB 4.4Å; L479-V487 PolarHBondContact O-N 2.87Å; L479-V492 HydrophobicContact CD1-CG2 4.18Å; L479-V492 VanDerWaalsContact CD1-O 3.31Å; L479-V492 WeakPolarHBondContact CD1-O 3.24Å; L479-A495 WeakPolarHBondContact CA-O 3.12Å; L479-L496 HydrophobicContact CD2-CB 4.41Å; L479-L496 HydrophobicContact CD2-CD1 3.95Å; L479-A534 HydrophobicContact CD2-CB 3.82Å; L479-R536 HydrophobicContact CD1-CB 3.73Å; L479-Y542 HydrophobicContact CD2-CD1 4.49Å; L479-Y542 HydrophobicContact CD2-CE1 4.22Å; L479-Y542 HydrophobicContact CG-CE1 4.31Å
480	M	95.4	Very high	93.4	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.01	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	141.5	178.7	-59	-60.2	-168.9	0	0	110.9	V478 S485 V486 G494 A495 C497 Y524 Y527	V478-M480 HydrophobicContact CG2-CE 3.67Å; V478-M480 HydrophobicContact CG2-SD 4.46Å; M480-S485 WeakPolarHBondContact CA-O 3.49Å; M480-V486 HydrophobicContact CE-CG2 3.93Å; M480-V486 HydrophobicContact SD-CB 4.37Å; M480-V486 HydrophobicContact SD-CG2 3.72Å; M480-G494 CarbonylContact O-C 3.58Å; M480-G494 WeakPolarHBondContact O-CA 3.35Å; M480-A495 HydrophobicContact CB-CB 4.27Å; M480-A495 PolarHBondContact N-O 3.17Å; M480-A495 PolarHBondContact O-N 3.02Å; M480-C497 HydrophobicContact CE-CB 4.42Å; M480-C497 HydrophobicContact CG-CB 4.31Å; M480-Y524 HydrophobicContact CB-CD1 3.79Å; M480-Y524 HydrophobicContact CB-CE1 3.47Å; M480-Y524 VanDerWaalsContact CB-CE1 3.47Å; M480-Y524 HydrophobicContact CB-CE2 4.46Å; M480-Y524 HydrophobicContact CB-CG 4.4Å; M480-Y524 HydrophobicContact CG-CD1 3.72Å; M480-Y524 HydrophobicContact CG-CD2 4.46Å; M480-Y524 HydrophobicContact CG-CE1 3.96Å; M480-Y524 HydrophobicContact CG-CG 3.99Å; M480-Y527 HydrophobicContact CE-CD1 3.49Å; M480-Y527 VanDerWaalsContact CE-CD1 3.49Å; M480-Y527 HydrophobicContact CE-CD2 3.25Å; M480-Y527 HydrophobicContact CE-CE1 3.61Å; M480-Y527 HydrophobicContact CE-CE2 3.38Å; M480-Y527 HydrophobicContact CE-CG 3.33Å
481	D	89.5	Confident	93.2	Very high	55 Å²	55	51.4 Å²	51.4	29%	0.294	29%	0.293	S	S	.	.			trans	-80.1	-177.9	168.4	73.4	11	0	0	0	111.7	K483 G484 S485 V487	D481-K483 PolarHBondContact O-N 2.83Å; D481-K483 VanDerWaalsContact OD1-CA 3.31Å; D481-K483 WeakPolarHBondContact OD1-CA 3.42Å; D481-K483 WeakPolarHBondContact OD1-CB 3.48Å; D481-K483 PolarHBondContact OD1-N 3.23Å; D481-G484 PolarHBondContact O-N 3.34Å; D481-G484 PolarHBondContact OD1-N 3.3Å; D481-S485 PolarHBondContact N-O 2.9Å; D481-S485 PolarHBondContact OD1-N 2.64Å; D481-V487 HydrophobicContact CB-CG2 3.84Å
482	E	80.1	Confident	93	Very high	137 Å²	137	51.6 Å²	51.6	64%	0.64	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-21.1	179	-51.5	-166.9	124.4	0	0	113.9	G484 R558	E482-G484 VanDerWaalsContact C-N 3.28Å; E482-R558 WeakPolarHBondContact OE1-CD 3.41Å; E482-R558 IonicContact OE1-CZ 2.73Å; E482-R558 IonicContact OE1-NE 2.93Å; E482-R558 IonicContact OE1-NH1 3.61Å; E482-R558 PolarHBondContact OE1-NH1 3.47Å
483	K	83.7	Confident	92.7	Very high	185 Å²	185	54.8 Å²	54.8	80%	0.804	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-0.1	178.9	-61.1	179	-177.2	174.9	0	111.6	D481 S485	D481-K483 PolarHBondContact O-N 2.83Å; D481-K483 VanDerWaalsContact OD1-CA 3.31Å; D481-K483 WeakPolarHBondContact OD1-CA 3.42Å; D481-K483 WeakPolarHBondContact OD1-CB 3.48Å; D481-K483 PolarHBondContact OD1-N 3.23Å; K483-S485 VanDerWaalsContact C-N 3.34Å
484	G	86.8	Confident	92.4	Very high	38 Å²	38	54.9 Å²	54.9	39%	0.392	32%	0.322	S	S	.	.	S	Bend	trans	78.7	17	-176.9	0	0	0	0	0	114.3	D481 E482	D481-G484 PolarHBondContact O-N 3.34Å; D481-G484 PolarHBondContact OD1-N 3.3Å; E482-G484 VanDerWaalsContact C-N 3.28Å
485	S	92.7	Very high	92.3	Very high	62 Å²	62	54.8 Å²	54.8	43%	0.434	32%	0.321	S	S	.	.			trans	-95.4	145	177.4	-57.6	0	0	0	0	110.8	M480 D481 K483 V487	M480-S485 WeakPolarHBondContact CA-O 3.49Å; D481-S485 PolarHBondContact N-O 2.9Å; D481-S485 PolarHBondContact OD1-N 2.64Å; K483-S485 VanDerWaalsContact C-N 3.34Å; S485-V487 PolarHBondContact O-N 3.33Å
486	V	96.4	Very high	92.3	Very high	60 Å²	60	54.4 Å²	54.4	36%	0.364	32%	0.319	S	S	.	.	B	Isolated β-bridge	trans	-65.8	128.5	176	177.8	0	0	0	0	109.2	M480 E488	M480-V486 HydrophobicContact CE-CG2 3.93Å; M480-V486 HydrophobicContact SD-CB 4.37Å; M480-V486 HydrophobicContact SD-CG2 3.72Å; V486-E488 PolarHBondContact O-N 3.26Å
487	V	94.3	Very high	92.3	Very high	31 Å²	31	52.5 Å²	52.5	19%	0.188	31%	0.307	C	S	.	.			trans	-82.8	105.9	172.8	-169.2	0	0	0	0	108.8	L479 D481 S485 V492 R536	L479-V487 HydrophobicContact CB-CB 4.4Å; L479-V487 PolarHBondContact O-N 2.87Å; D481-V487 HydrophobicContact CB-CG2 3.84Å; S485-V487 PolarHBondContact O-N 3.33Å; V487-V492 HydrophobicContact CG1-CB 3.64Å; V487-V492 HydrophobicContact CG1-CG1 3.77Å; V487-V492 HydrophobicContact CG1-CG2 4.02Å; V487-R536 PolarHBondContact O-NH2 2.94Å
488	E	91.7	Very high	92.4	Very high	166 Å²	166	52 Å²	52	78%	0.776	30%	0.304	S	S	*	.			trans	-78.1	163.6	177.1	-62.2	-168	169.6	0	0	112.1	V486	V486-E488 PolarHBondContact O-N 3.26Å
489	G	87.9	Confident	92.4	Very high	48 Å²	48	53.1 Å²	53.1	50%	0.495	31%	0.313	S	S	.	.	S	Bend	trans	87.7	-177.2	176.3	0	0	0	0	0	114.8	R536	G489-R536 VanDerWaalsContact O-CZ 3.31Å; G489-R536 PolarHBondContact O-NE 3.46Å; G489-R536 VanDerWaalsContact O-NE 3.13Å; G489-R536 PolarHBondContact O-NH2 3.01Å
490	S	87.7	Confident	92.3	Very high	62 Å²	62	54 Å²	54	43%	0.434	32%	0.317	S	S	.	.	S	Bend	trans	-108.7	161.7	179.4	68.4	0	0	0	0	110
491	N	92.7	Very high	92.4	Very high	108 Å²	108	54.1 Å²	54.1	58%	0.578	32%	0.318	S	S	*	.	S	Bend	trans	59.6	51.4	-174.4	-163.7	43	0	0	0	113.8	H535 R536 T537	N491-H535 PolarHBondContact OD1-CE1 3.28Å; N491-H535 PolarHBondContact OD1-NE2 2.75Å; N491-R536 CarbonylContact C-O 3.57Å; N491-R536 WeakPolarHBondContact CA-O 3.35Å; N491-R536 PolarHBondContact N-O 3.35Å; N491-T537 PolarHBondContact N-O 3.26Å
492	V	93.7	Very high	92.8	Very high	28 Å²	28	51.5 Å²	51.5	17%	0.17	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	153.1	-175.4	-70.7	0	0	0	0	111.5	L479 V487 H535 R536	L479-V492 HydrophobicContact CD1-CG2 4.18Å; L479-V492 VanDerWaalsContact CD1-O 3.31Å; L479-V492 WeakPolarHBondContact CD1-O 3.24Å; V487-V492 HydrophobicContact CG1-CB 3.64Å; V487-V492 HydrophobicContact CG1-CG1 3.77Å; V487-V492 HydrophobicContact CG1-CG2 4.02Å; V492-H535 CarbonylContact O-C 3.56Å; V492-H535 WeakPolarHBondContact O-CA 3.22Å; V492-H535 PolarHBondContact O-ND1 3.08Å; V492-R536 HydrophobicContact CG2-CB 4.36Å; V492-R536 PolarHBondContact N-O 3.49Å; V492-R536 PolarHBondContact O-N 2.92Å
493	S	91.8	Very high	93.7	Very high	72 Å²	72	45 Å²	45	50%	0.503	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	150.2	178.5	-59.7	0	0	0	0	110.7	A534 H535	S493-A534 WeakPolarHBondContact CA-O 3.31Å; S493-H535 PolarHBondContact OG-ND1 3.2Å
494	G	91.6	Very high	94.4	Very high	17 Å²	17	36.1 Å²	36.1	18%	0.175	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.2	-174.6	177.9	0	0	0	0	0	112.8	M480 L496 G533 A534	M480-G494 CarbonylContact O-C 3.58Å; M480-G494 WeakPolarHBondContact O-CA 3.35Å; G494-L496 PolarHBondContact O-N 2.9Å; G494-G533 WeakPolarHBondContact O-CA 3.1Å; G494-A534 PolarHBondContact N-O 3.01Å; G494-A534 PolarHBondContact O-N 3.28Å
495	A	94.9	Very high	94.9	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.008	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	123.5	174.5	0	0	0	0	0	109.3	L479 M480 C497 Y524 F529 M548	L479-A495 WeakPolarHBondContact CA-O 3.12Å; M480-A495 HydrophobicContact CB-CB 4.27Å; M480-A495 PolarHBondContact N-O 3.17Å; M480-A495 PolarHBondContact O-N 3.02Å; A495-C497 PolarHBondContact O-N 2.61Å; A495-Y524 HydrophobicContact CB-CE2 3.87Å; A495-Y524 VanDerWaalsContact CB-OH 3.27Å; A495-Y524 WeakPolarHBondContact CB-OH 3.45Å; A495-F529 HydrophobicContact CB-CE2 3.91Å; A495-M548 HydrophobicContact CB-CE 3.94Å; A495-M548 HydrophobicContact CB-CG 4.43Å; A495-M548 HydrophobicContact CB-SD 4.33Å
496	L	97.6	Very high	95.2	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	117.8	-178.4	-179.7	63.6	0	0	0	109.9	W442 I452 P477 L479 G494 T530 D532 A534 Y542 I544	W442-L496 HydrophobicContact CE3-CD2 4.46Å; W442-L496 HydrophobicContact CH2-CD2 3.63Å; W442-L496 HydrophobicContact CZ2-CD2 3.65Å; W442-L496 HydrophobicContact CZ3-CD2 4.03Å; I452-L496 HydrophobicContact CD1-CD2 4.18Å; P477-L496 HydrophobicContact CB-CD1 3.83Å; L479-L496 HydrophobicContact CD2-CB 4.41Å; L479-L496 HydrophobicContact CD2-CD1 3.95Å; G494-L496 PolarHBondContact O-N 2.9Å; L496-T530 HydrophobicContact CD2-CG2 4.34Å; L496-T530 HydrophobicContact CG-CG2 4.08Å; L496-T530 WeakPolarHBondContact O-CB 3.43Å; L496-T530 VanDerWaalsContact O-CG2 3.26Å; L496-T530 WeakPolarHBondContact O-CG2 3.35Å; L496-T530 PolarHBondContact O-N 3.48Å; L496-T530 PolarHBondContact O-OG1 2.88Å; L496-D532 WeakPolarHBondContact CB-O 3.46Å; L496-D532 PolarHBondContact N-O 3.31Å; L496-A534 HydrophobicContact CB-CB 3.96Å; L496-A534 HydrophobicContact CD1-CB 4.17Å; L496-A534 HydrophobicContact CD2-CB 4.17Å; L496-A534 HydrophobicContact CG-CB 4.32Å; L496-Y542 HydrophobicContact CD1-CD1 4.34Å; L496-Y542 HydrophobicContact CD1-CE1 4.48Å; L496-I544 HydrophobicContact CD2-CD1 3.76Å
497	C	98.2	Very high	95.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	161.9	170.9	-55.7	0	0	0	0	110.5	P477 V478 M480 A495 Y524 Y528	P477-C497 CarbonylContact C-O 3.6Å; P477-C497 WeakPolarHBondContact CA-O 3.33Å; V478-C497 HydrophobicContact CG2-CB 3.78Å; V478-C497 PolarHBondContact N-O 2.98Å; V478-C497 PolarHBondContact O-N 3.13Å; V478-C497 VanDerWaalsContact O-O 3.12Å; M480-C497 HydrophobicContact CE-CB 4.42Å; M480-C497 HydrophobicContact CG-CB 4.31Å; A495-C497 PolarHBondContact O-N 2.61Å; C497-Y524 WeakPolarHBondContact SG-CD2 3.5Å; C497-Y528 CarbonylContact C-O 3.45Å; C497-Y528 WeakPolarHBondContact CA-O 3.24Å; C497-Y528 WeakPolarHBondContact CB-O 3.35Å
498	I	98.4	Very high	95.5	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	126.1	173.2	-55.9	170.3	0	0	0	107.5	F94 I475 V476 Q500 W502 Y528 T530	F94-I498 WeakPolarHBondContact CE2-O 3.42Å; I475-I498 HydrophobicContact CG2-CD1 4.19Å; I475-I498 HydrophobicContact CG2-CG1 4.4Å; I475-I498 HydrophobicContact CG2-CG2 4.34Å; V476-I498 WeakPolarHBondContact O-CA 3.3Å; I498-Q500 WeakPolarHBondContact CG2-O 3.33Å; I498-W502 HydrophobicContact CB-CH2 4.41Å; I498-W502 HydrophobicContact CB-CZ3 3.85Å; I498-W502 HydrophobicContact CD1-CE3 4.44Å; I498-W502 HydrophobicContact CD1-CH2 3.5Å; I498-W502 VanDerWaalsContact CD1-CH2 3.5Å; I498-W502 HydrophobicContact CD1-CZ2 4.15Å; I498-W502 HydrophobicContact CD1-CZ3 3.66Å; I498-W502 HydrophobicContact CG1-CZ3 4.35Å; I498-W502 HydrophobicContact CG2-CE3 3.93Å; I498-W502 HydrophobicContact CG2-CH2 4.49Å; I498-W502 HydrophobicContact CG2-CZ3 3.56Å; I498-Y528 HydrophobicContact CB-CD1 4.41Å; I498-Y528 HydrophobicContact CD1-CD1 4.08Å; I498-Y528 HydrophobicContact CG1-CD1 4.37Å; I498-Y528 PolarHBondContact N-O 2.86Å; I498-Y528 PolarHBondContact O-N 3Å; I498-T530 HydrophobicContact CD1-CG2 4.33Å; I498-T530 HydrophobicContact CG1-CG2 4.27Å
499	S	97.2	Very high	95.7	Very high	42 Å²	42	21.8 Å²	21.8	29%	0.294	15%	0.146	S	C	.	.	S	Bend	trans	-87.4	-6.6	-172.8	62.2	0	0	0	0	114.8	V476	V476-S499 WeakPolarHBondContact CB-OG 3.49Å; V476-S499 VanDerWaalsContact CG1-OG 3.24Å; V476-S499 WeakPolarHBondContact CG1-OG 3.23Å; V476-S499 PolarHBondContact O-N 2.85Å; V476-S499 PolarHBondContact O-OG 2.99Å
500	Q	96.1	Very high	96.1	Very high	20 Å²	20	23.2 Å²	23.2	9%	0.093	14%	0.137	C	C	.	.	S	Bend	trans	-137.3	143.9	-176.8	-167.4	-174	-75	0	0	110.9	A64 A65 P68 W90 V476 I498 W502	A64-Q500 PolarHBondContact O-NE2 3.25Å; A65-Q500 PolarHBondContact O-OE1 3.06Å; P68-Q500 VanDerWaalsContact CG-CD 3.44Å; P68-Q500 HydrophobicContact CG-CG 4.45Å; W90-Q500 HydrophobicContact CH2-CG 4.35Å; W90-Q500 HydrophobicContact CZ2-CG 4.08Å; V476-Q500 HydrophobicContact CB-CB 4.37Å; V476-Q500 HydrophobicContact CG2-CB 4.13Å; I498-Q500 WeakPolarHBondContact CG2-O 3.33Å; Q500-W502 VanDerWaalsContact O-CE3 3.23Å
501	A	97.7	Very high	96.4	Very high	3 Å²	3	24.2 Å²	24.2	3%	0.025	16%	0.157	C	C	.	.			trans	-66.2	152.3	170.4	0	0	0	0	0	111.8	C92 F94 I99 W101 M505	C92-A501 HydrophobicContact CB-CB 3.66Å; C92-A501 VanDerWaalsContact SG-CB 3.59Å; F94-A501 HydrophobicContact CE1-CB 3.63Å; F94-A501 HydrophobicContact CZ-CB 3.93Å; I99-A501 HydrophobicContact CD1-CB 4.38Å; W101-A501 HydrophobicContact CZ2-CB 4.25Å; A501-M505 HydrophobicContact CB-SD 3.7Å
502	W	98.4	Very high	96.5	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	15%	0.146	C	C	.	.			trans	-134.8	158.6	172.5	63	100.1	0	0	0	110.3	W101 Y313 T447 I475 I498 Q500 G504 M505 Y528	W101-W502 PolarHBondContact NE1-O 2.98Å; Y313-W502 AromaticContact CE1-CD1 3.76Å; Y313-W502 AromaticContact CE1-NE1 3.98Å; Y313-W502 AromaticContact CE2-CD1 3.95Å; Y313-W502 AromaticContact CZ-CD1 3.65Å; T447-W502 HydrophobicContact CG2-CZ2 3.83Å; T447-W502 PolarHBondContact O-NE1 3.31Å; I475-W502 HydrophobicContact CD1-CB 3.87Å; I475-W502 HydrophobicContact CD1-CD2 3.49Å; I475-W502 VanDerWaalsContact CD1-CD2 3.49Å; I475-W502 HydrophobicContact CD1-CE3 3.87Å; I475-W502 HydrophobicContact CD1-CG 3.48Å; I475-W502 VanDerWaalsContact CD1-CG 3.48Å; I498-W502 HydrophobicContact CB-CH2 4.41Å; I498-W502 HydrophobicContact CB-CZ3 3.85Å; I498-W502 HydrophobicContact CD1-CE3 4.44Å; I498-W502 HydrophobicContact CD1-CH2 3.5Å; I498-W502 VanDerWaalsContact CD1-CH2 3.5Å; I498-W502 HydrophobicContact CD1-CZ2 4.15Å; I498-W502 HydrophobicContact CD1-CZ3 3.66Å; I498-W502 HydrophobicContact CG1-CZ3 4.35Å; I498-W502 HydrophobicContact CG2-CE3 3.93Å; I498-W502 HydrophobicContact CG2-CH2 4.49Å; I498-W502 HydrophobicContact CG2-CZ3 3.56Å; Q500-W502 VanDerWaalsContact O-CE3 3.23Å; W502-G504 VanDerWaalsContact C-N 3.32Å; W502-G504 PolarHBondContact O-N 3.36Å; W502-M505 HydrophobicContact CD2-CB 3.97Å; W502-M505 VanDerWaalsContact CE2-CB 3.5Å; W502-M505 HydrophobicContact CE3-CB 4.49Å; W502-M505 HydrophobicContact CE3-SD 4.47Å; W502-M505 HydrophobicContact CG-CB 4.44Å; W502-M505 HydrophobicContact CH2-CB 4.13Å; W502-M505 HydrophobicContact CZ2-CB 3.59Å; W502-M505 VanDerWaalsContact O-CG 3.29Å; W502-M505 WeakPolarHBondContact O-CG 3.26Å; W502-M505 PolarHBondContact O-N 3.37Å; W502-Y528 AromaticContact CH2-CD1 3.74Å; W502-Y528 HydrophobicContact CH2-CD1 3.74Å; W502-Y528 HydrophobicContact CH2-CE1 4.08Å; W502-Y528 AromaticContact CH2-CG 3.99Å; W502-Y528 HydrophobicContact CH2-CG 3.99Å; W502-Y528 HydrophobicContact CZ3-CD1 4.43Å; W502-Y528 HydrophobicContact CZ3-CG 4.48Å
503	P	98.5	Very high	96.7	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-39	-171.3	-28	34.9	0	0	0	115	W72 W101 F102 G309 M505 R507	W72-P503 HydrophobicContact CB-CG 4.4Å; W72-P503 HydrophobicContact CD2-CG 3.52Å; W72-P503 VanDerWaalsContact CE2-CD 3.48Å; W72-P503 HydrophobicContact CE3-CG 3.77Å; W72-P503 HydrophobicContact CG-CG 3.82Å; W72-P503 HydrophobicContact CH2-CG 4.46Å; W72-P503 HydrophobicContact CZ2-CG 4.24Å; W72-P503 HydrophobicContact CZ3-CG 4.24Å; W101-P503 HydrophobicContact CD2-CB 4.18Å; W101-P503 HydrophobicContact CD2-CG 3.96Å; W101-P503 HydrophobicContact CE3-CB 4.44Å; W101-P503 HydrophobicContact CE3-CG 3.85Å; W101-P503 HydrophobicContact CG-CB 4.34Å; W101-P503 HydrophobicContact CH2-CG 4.28Å; W101-P503 HydrophobicContact CZ2-CG 4.36Å; W101-P503 HydrophobicContact CZ3-CG 4.02Å; F102-P503 HydrophobicContact CE2-CB 4.19Å; F102-P503 HydrophobicContact CZ-CB 4.49Å; F102-P503 HydrophobicContact CZ-CG 4.35Å; G309-P503 CarbonylContact C-O 3.49Å; G309-P503 VanDerWaalsContact C-O 3.26Å; G309-P503 WeakPolarHBondContact CA-O 3.39Å; G309-P503 CarbonylContact O-C 3.57Å; P503-M505 VanDerWaalsContact C-N 3.35Å; P503-M505 PolarHBondContact O-N 2.84Å; P503-R507 PolarHBondContact O-NH1 3.33Å; P503-R507 PolarHBondContact O-NH2 3.45Å
504	G	98.2	Very high	96.9	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-3.6	-173	0	0	0	0	0	116.1	H305 T447 G448 W502	H305-G504 PolarHBondContact CE1-O 2.93Å; H305-G504 PolarHBondContact ND1-O 3.03Å; T447-G504 CarbonylContact C-O 3.57Å; T447-G504 CarbonylContact O-C 3.49Å; G448-G504 WeakPolarHBondContact CA-O 3.14Å; W502-G504 VanDerWaalsContact C-N 3.32Å; W502-G504 PolarHBondContact O-N 3.36Å
505	M	98.4	Very high	96.9	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	16%	0.158	C	C	.	.	S	Bend	trans	-66.8	150.9	-177.5	73	-175.5	-70.1	0	0	112.7	F94 I99 E446 A501 W502 P503 R507 F521	F94-M505 HydrophobicContact CE1-CE 3.75Å; F94-M505 HydrophobicContact CE1-SD 4.03Å; F94-M505 HydrophobicContact CZ-CE 4.3Å; F94-M505 HydrophobicContact CZ-SD 4.49Å; I99-M505 HydrophobicContact CB-SD 4.38Å; I99-M505 HydrophobicContact CD1-CE 3.5Å; I99-M505 HydrophobicContact CD1-SD 3.63Å; I99-M505 HydrophobicContact CG1-CE 3.65Å; I99-M505 HydrophobicContact CG1-CG 4.47Å; I99-M505 HydrophobicContact CG1-SD 3.87Å; I99-M505 HydrophobicContact CG2-CE 4.45Å; I99-M505 HydrophobicContact CG2-CG 3.66Å; I99-M505 HydrophobicContact CG2-SD 3.59Å; I99-M505 VanDerWaalsContact CG2-SD 3.59Å; E446-M505 CarbonylContact O-C 3.43Å; E446-M505 WeakPolarHBondContact O-CA 3.48Å; A501-M505 HydrophobicContact CB-SD 3.7Å; W502-M505 HydrophobicContact CD2-CB 3.97Å; W502-M505 VanDerWaalsContact CE2-CB 3.5Å; W502-M505 HydrophobicContact CE3-CB 4.49Å; W502-M505 HydrophobicContact CE3-SD 4.47Å; W502-M505 HydrophobicContact CG-CB 4.44Å; W502-M505 HydrophobicContact CH2-CB 4.13Å; W502-M505 HydrophobicContact CZ2-CB 3.59Å; W502-M505 VanDerWaalsContact O-CG 3.29Å; W502-M505 WeakPolarHBondContact O-CG 3.26Å; W502-M505 PolarHBondContact O-N 3.37Å; P503-M505 VanDerWaalsContact C-N 3.35Å; P503-M505 PolarHBondContact O-N 2.84Å; M505-R507 PolarHBondContact O-NH1 2.92Å; M505-F521 HydrophobicContact CE-CZ 4.03Å
506	A	98.3	Very high	96.9	Very high	2 Å²	2	28.3 Å²	28.3	2%	0.017	16%	0.158	C	C	.	.			trans	-60.9	149	173.8	0	0	0	0	0	111.2	I303 V304 E446 F516	I303-A506 HydrophobicContact CG2-CB 3.44Å; I303-A506 VanDerWaalsContact CG2-CB 3.44Å; V304-A506 WeakPolarHBondContact O-CA 3.35Å; E446-A506 HydrophobicContact CB-CB 4.42Å; E446-A506 WeakPolarHBondContact O-CB 3.38Å; E446-A506 PolarHBondContact O-N 2.7Å; A506-F516 HydrophobicContact CB-CE2 4.18Å; A506-F516 WeakPolarHBondContact O-CZ 3.45Å
507	R	98.3	Very high	96.8	Very high	20 Å²	20	29.2 Å²	29.2	8%	0.075	16%	0.163	C	C	.	.			trans	-93.1	-32	-179.8	-60.5	-52.7	-168.8	-106.8	0	113.3	I99 E285 V304 T306 P503 M505 F516	I99-R507 WeakPolarHBondContact O-CD 3.5Å; E285-R507 IonicContact OE1-CZ 3Å; E285-R507 IonicContact OE1-NE 2.66Å; E285-R507 PolarHBondContact OE1-NE 3.24Å; E285-R507 IonicContact OE1-NH2 2.77Å; E285-R507 PolarHBondContact OE1-NH2 3.1Å; E285-R507 IonicContact OE2-CZ 2.85Å; E285-R507 IonicContact OE2-NE 2.83Å; E285-R507 PolarHBondContact OE2-NE 2.89Å; E285-R507 IonicContact OE2-NH2 2.69Å; E285-R507 PolarHBondContact OE2-NH2 2.86Å; V304-R507 PolarHBondContact O-N 3.16Å; T306-R507 HydrophobicContact CG2-CB 4.42Å; T306-R507 HydrophobicContact CG2-CG 3.54Å; T306-R507 PolarHBondContact OG1-NH2 2.89Å; P503-R507 PolarHBondContact O-NH1 3.33Å; P503-R507 PolarHBondContact O-NH2 3.45Å; M505-R507 PolarHBondContact O-NH1 2.92Å; R507-F516 WeakPolarHBondContact O-CE1 3.1Å
508	T	98.3	Very high	96.6	Very high	30 Å²	30	32.3 Å²	32.3	18%	0.184	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168	172.7	-177.2	-167.2	0	0	0	0	111.4	V304 H513	V304-T508 HydrophobicContact CB-CG2 3.75Å; V304-T508 HydrophobicContact CG1-CG2 4.18Å; V304-T508 HydrophobicContact CG2-CG2 3.71Å; V304-T508 PolarHBondContact N-O 3.21Å; T508-H513 WeakPolarHBondContact OG1-CA 3.3Å; T508-H513 PolarHBondContact OG1-ND1 3.14Å
509	I	96.4	Very high	96.2	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.015	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	132.6	152.7	-64.6	169	0	0	0	107.2	K301 G302 I303 G511 D512 R515 F516 Y520	K301-I509 HydrophobicContact CB-CD1 4.36Å; K301-I509 HydrophobicContact CB-CG1 4.45Å; K301-I509 HydrophobicContact CB-CG2 4.41Å; K301-I509 HydrophobicContact CD-CD1 3.85Å; K301-I509 HydrophobicContact CG-CD1 4.16Å; G302-I509 WeakPolarHBondContact O-CA 3.29Å; I303-I509 HydrophobicContact CD1-CG1 3.99Å; I509-G511 PolarHBondContact O-N 3.31Å; I509-D512 HydrophobicContact CG2-CB 4.37Å; I509-D512 CarbonylContact O-C 3.26Å; I509-D512 PolarHBondContact O-N 3.45Å; I509-R515 HydrophobicContact CD1-CB 4.14Å; I509-R515 HydrophobicContact CD1-CG 3.76Å; I509-F516 HydrophobicContact CB-CB 4.33Å; I509-F516 HydrophobicContact CD1-CB 4.29Å; I509-F516 HydrophobicContact CG1-CB 4.06Å; I509-F516 HydrophobicContact CG1-CD2 4.26Å; I509-Y520 HydrophobicContact CD1-CE2 4.25Å
510	Y	95.9	Very high	96.1	Very high	78 Å²	78	32.9 Å²	32.9	31%	0.306	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	131.7	-178.1	-175.5	-106	0	0	0	111.3	D209 M290 G302 V304 D512	D209-Y510 WeakPolarHBondContact O-CE1 3.43Å; M290-Y510 VanDerWaalsContact SD-CB 3.54Å; M290-Y510 HydrophobicContact SD-CD1 3.73Å; M290-Y510 HydrophobicContact SD-CD2 3.35Å; M290-Y510 WeakPolarHBondContact SD-CD2 3.3Å; M290-Y510 HydrophobicContact SD-CE1 4.23Å; M290-Y510 HydrophobicContact SD-CE2 3.89Å; M290-Y510 HydrophobicContact SD-CG 3.24Å; G302-Y510 PolarHBondContact O-N 3.37Å; V304-Y510 HydrophobicContact CG2-CD2 4.38Å; Y510-D512 PolarHBondContact O-N 2.97Å; Y510-D512 VanDerWaalsContact O-N 3.08Å
511	G	94.6	Very high	96.1	Very high	82 Å²	82	32.1 Å²	32.1	85%	0.845	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	69	-3.2	-179.1	0	0	0	0	0	115.9	I509	I509-G511 PolarHBondContact O-N 3.31Å
512	D	94.8	Very high	95.9	Very high	66 Å²	66	38.2 Å²	38.2	35%	0.353	21%	0.207	S	C	.	.			trans	-150.6	73.9	-171.7	-167.6	-8.8	0	0	0	112.3	I509 Y510 Q514 R515 F516	I509-D512 HydrophobicContact CG2-CB 4.37Å; I509-D512 CarbonylContact O-C 3.26Å; I509-D512 PolarHBondContact O-N 3.45Å; Y510-D512 PolarHBondContact O-N 2.97Å; Y510-D512 VanDerWaalsContact O-N 3.08Å; D512-Q514 VanDerWaalsContact C-N 3.31Å; D512-Q514 PolarHBondContact O-N 3.18Å; D512-R515 HydrophobicContact CB-CB 4.15Å; D512-R515 PolarHBondContact O-N 3.46Å; D512-R515 VanDerWaalsContact OD1-CB 3.23Å; D512-R515 WeakPolarHBondContact OD1-CB 3.3Å; D512-R515 PolarHBondContact OD1-N 3.33Å; D512-R515 WeakPolarHBondContact OD2-CB 3.16Å; D512-R515 WeakPolarHBondContact OD2-CD 3.18Å; D512-F516 PolarHBondContact O-N 3.43Å
513	H	96.9	Very high	95.6	Very high	78 Å²	78	41 Å²	41	36%	0.361	23%	0.23	S	C	.	.	H	α-helix	trans	-67	-32	179	-168.4	68	0	0	0	112.7	T96 G97 T508 R515 F516 V517	T96-H513 PolarHBondContact O-NE2 3.25Å; G97-H513 PolarHBondContact O-CE1 3.09Å; T508-H513 WeakPolarHBondContact OG1-CA 3.3Å; T508-H513 PolarHBondContact OG1-ND1 3.14Å; H513-R515 VanDerWaalsContact C-N 3.33Å; H513-R515 PolarHBondContact O-N 2.83Å; H513-F516 AromaticContact CE1-CD1 3.86Å; H513-F516 WeakPolarHBondContact O-CA 3.46Å; H513-F516 VanDerWaalsContact O-CB 3.28Å; H513-F516 WeakPolarHBondContact O-CB 3.35Å; H513-F516 PolarHBondContact O-N 3.28Å; H513-V517 PolarHBondContact O-N 2.98Å
514	Q	95.8	Very high	95.4	Very high	113 Å²	113	42.5 Å²	42.5	53%	0.528	24%	0.236	S	C	.	.	H	α-helix	trans	-64.7	-39.9	178.4	-172.5	59.3	50.4	0	0	111.1	D512 F516 V517 D518	D512-Q514 VanDerWaalsContact C-N 3.31Å; D512-Q514 PolarHBondContact O-N 3.18Å; Q514-F516 PolarHBondContact O-N 3.49Å; Q514-V517 PolarHBondContact O-N 3.34Å; Q514-D518 PolarHBondContact NE2-OD1 2.88Å; Q514-D518 WeakPolarHBondContact O-CB 3.46Å; Q514-D518 PolarHBondContact O-N 3.43Å
515	R	92.2	Very high	95.2	Very high	55 Å²	55	47.4 Å²	47.4	21%	0.208	27%	0.268	C	S	.	.	H	α-helix	trans	-62.4	-30	172.9	-173.9	-178.7	-178.2	-161.5	0.8	112.7	T297 M299 P300 K301 I509 D512 H513 A519	T297-R515 PolarHBondContact OG1-NH2 3.23Å; M299-R515 PolarHBondContact O-NH2 2.83Å; P300-R515 PolarHBondContact O-NH1 2.92Å; K301-R515 VanDerWaalsContact CG-CZ 3.42Å; K301-R515 VanDerWaalsContact CG-NH2 3.3Å; I509-R515 HydrophobicContact CD1-CB 4.14Å; I509-R515 HydrophobicContact CD1-CG 3.76Å; D512-R515 HydrophobicContact CB-CB 4.15Å; D512-R515 PolarHBondContact O-N 3.46Å; D512-R515 VanDerWaalsContact OD1-CB 3.23Å; D512-R515 WeakPolarHBondContact OD1-CB 3.3Å; D512-R515 PolarHBondContact OD1-N 3.33Å; D512-R515 WeakPolarHBondContact OD2-CB 3.16Å; D512-R515 WeakPolarHBondContact OD2-CD 3.18Å; H513-R515 VanDerWaalsContact C-N 3.33Å; H513-R515 PolarHBondContact O-N 2.83Å; R515-A519 WeakPolarHBondContact O-CB 3.5Å; R515-A519 PolarHBondContact O-N 2.9Å
516	F	94.9	Very high	95	Very high	0 Å²	0	49 Å²	49	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-67.4	-49.4	172.4	179.9	-108.2	0	0	0	110.9	A506 R507 I509 D512 H513 Q514 D518 A519 Y520 F521	A506-F516 HydrophobicContact CB-CE2 4.18Å; A506-F516 WeakPolarHBondContact O-CZ 3.45Å; R507-F516 WeakPolarHBondContact O-CE1 3.1Å; I509-F516 HydrophobicContact CB-CB 4.33Å; I509-F516 HydrophobicContact CD1-CB 4.29Å; I509-F516 HydrophobicContact CG1-CB 4.06Å; I509-F516 HydrophobicContact CG1-CD2 4.26Å; D512-F516 PolarHBondContact O-N 3.43Å; H513-F516 AromaticContact CE1-CD1 3.86Å; H513-F516 WeakPolarHBondContact O-CA 3.46Å; H513-F516 VanDerWaalsContact O-CB 3.28Å; H513-F516 WeakPolarHBondContact O-CB 3.35Å; H513-F516 PolarHBondContact O-N 3.28Å; Q514-F516 PolarHBondContact O-N 3.49Å; F516-D518 PolarHBondContact O-N 2.86Å; F516-A519 PolarHBondContact O-N 3.44Å; F516-Y520 AromaticContact CD2-CD2 3.29Å; F516-Y520 HydrophobicContact CD2-CD2 3.29Å; F516-Y520 AromaticContact CD2-CE2 3.47Å; F516-Y520 HydrophobicContact CD2-CE2 3.47Å; F516-Y520 VanDerWaalsContact CD2-CE2 3.47Å; F516-Y520 HydrophobicContact CD2-CG 4.47Å; F516-Y520 AromaticContact CE2-CD2 3.55Å; F516-Y520 HydrophobicContact CE2-CD2 3.55Å; F516-Y520 AromaticContact CE2-CE2 3.88Å; F516-Y520 HydrophobicContact CE2-CE2 3.88Å; F516-Y520 HydrophobicContact CE2-CG 4.4Å; F516-Y520 HydrophobicContact CG-CD2 4.02Å; F516-Y520 HydrophobicContact CG-CE2 4.43Å; F516-Y520 HydrophobicContact CZ-CD2 4.47Å; F516-Y520 WeakPolarHBondContact O-CD2 3.4Å; F516-Y520 PolarHBondContact O-N 3.5Å; F516-F521 AromaticContact CD1-CE2 3.98Å; F516-F521 HydrophobicContact CD1-CE2 3.98Å; F516-F521 HydrophobicContact CE1-CD2 4.5Å; F516-F521 AromaticContact CE1-CE2 3.48Å; F516-F521 HydrophobicContact CE1-CE2 3.48Å; F516-F521 VanDerWaalsContact CE1-CE2 3.48Å; F516-F521 HydrophobicContact CE1-CZ 4.13Å; F516-F521 AromaticContact CZ-CE2 3.8Å; F516-F521 HydrophobicContact CZ-CE2 3.8Å; F516-F521 HydrophobicContact CZ-CZ 4.24Å
517	V	96.5	Very high	95	Very high	19 Å²	19	52.2 Å²	52.2	12%	0.115	30%	0.297	C	S	.	.	H	α-helix	trans	-57.5	-48.6	175.4	177.6	0	0	0	0	111.4	H513 Q514 A519 F521 K522	H513-V517 PolarHBondContact O-N 2.98Å; Q514-V517 PolarHBondContact O-N 3.34Å; V517-A519 VanDerWaalsContact C-N 3.35Å; V517-A519 PolarHBondContact O-N 3.36Å; V517-F521 PolarHBondContact O-N 2.79Å; V517-K522 PolarHBondContact O-N 2.85Å
518	D	93.8	Very high	95	Very high	65 Å²	65	51.3 Å²	51.3	35%	0.348	29%	0.294	S	S	.	.	H	α-helix	trans	-62.6	-39.8	-179.6	-75.8	-7.5	0	0	0	112.5	Q514 F516 K522	Q514-D518 PolarHBondContact NE2-OD1 2.88Å; Q514-D518 WeakPolarHBondContact O-CB 3.46Å; Q514-D518 PolarHBondContact O-N 3.43Å; F516-D518 PolarHBondContact O-N 2.86Å; D518-K522 HydrophobicContact CB-CD 4.24Å; D518-K522 WeakPolarHBondContact OD1-CD 3.39Å; D518-K522 IonicContact OD1-NZ 3.53Å; D518-K522 PolarHBondContact OD1-NZ 3.45Å; D518-K522 IonicContact OD2-NZ 3.8Å
519	A	89.6	Confident	94.9	Very high	43 Å²	43	51.3 Å²	51.3	36%	0.355	29%	0.291	S	S	.	.	H	α-helix	trans	-75.6	-36.2	-177	0	0	0	0	0	113.2	R515 F516 V517	R515-A519 WeakPolarHBondContact O-CB 3.5Å; R515-A519 PolarHBondContact O-N 2.9Å; F516-A519 PolarHBondContact O-N 3.44Å; V517-A519 VanDerWaalsContact C-N 3.35Å; V517-A519 PolarHBondContact O-N 3.36Å
520	Y	95.4	Very high	94.9	Very high	12 Å²	12	51.4 Å²	51.4	5%	0.047	29%	0.292	C	S	.	.	H	α-helix	trans	-117.5	-15.5	-166.5	-55.2	-71.7	0	0	0	114.8	K301 E446 I509 F516 Y528 F529	K301-Y520 PolarHBondContact NZ-OH 2.78Å; E446-Y520 HydrophobicContact CB-CE1 4.43Å; E446-Y520 HydrophobicContact CG-CE1 3.7Å; E446-Y520 HydrophobicContact CG-CE2 4.39Å; E446-Y520 WeakPolarHBondContact CG-OH 3.33Å; E446-Y520 PolarHBondContact OE1-OH 3.04Å; I509-Y520 HydrophobicContact CD1-CE2 4.25Å; F516-Y520 AromaticContact CD2-CD2 3.29Å; F516-Y520 HydrophobicContact CD2-CD2 3.29Å; F516-Y520 AromaticContact CD2-CE2 3.47Å; F516-Y520 HydrophobicContact CD2-CE2 3.47Å; F516-Y520 VanDerWaalsContact CD2-CE2 3.47Å; F516-Y520 HydrophobicContact CD2-CG 4.47Å; F516-Y520 AromaticContact CE2-CD2 3.55Å; F516-Y520 HydrophobicContact CE2-CD2 3.55Å; F516-Y520 AromaticContact CE2-CE2 3.88Å; F516-Y520 HydrophobicContact CE2-CE2 3.88Å; F516-Y520 HydrophobicContact CE2-CG 4.4Å; F516-Y520 HydrophobicContact CG-CD2 4.02Å; F516-Y520 HydrophobicContact CG-CE2 4.43Å; F516-Y520 HydrophobicContact CZ-CD2 4.47Å; F516-Y520 WeakPolarHBondContact O-CD2 3.4Å; F516-Y520 PolarHBondContact O-N 3.5Å; Y520-Y528 AromaticContact CD1-CE2 3.68Å; Y520-Y528 HydrophobicContact CD1-CE2 3.68Å; Y520-Y528 AromaticContact CD1-CZ 3.98Å; Y520-Y528 HydrophobicContact CG-CD2 4.45Å; Y520-Y528 AromaticContact CG-CE2 3.8Å; Y520-Y528 HydrophobicContact CG-CE2 3.8Å; Y520-Y528 CarbonylContact O-C 3.21Å; Y520-Y528 WeakPolarHBondContact O-CA 3.3Å; Y520-F529 PolarHBondContact O-N 2.99Å
521	F	96.1	Very high	94.7	Very high	4 Å²	4	47.8 Å²	47.8	2%	0.018	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.9	-25.7	-174.4	-57.9	-83.5	0	0	0	113.6	F94 M505 F516 V517 A523 Y524 P525 Y527 Y528	F94-F521 HydrophobicContact CB-CD1 3.81Å; F94-F521 HydrophobicContact CB-CE1 3.96Å; F94-F521 HydrophobicContact CD1-CD1 4.2Å; F94-F521 AromaticContact CD1-CE1 3.44Å; F94-F521 HydrophobicContact CD1-CE1 3.44Å; F94-F521 VanDerWaalsContact CD1-CE1 3.44Å; F94-F521 HydrophobicContact CD1-CZ 4.19Å; F94-F521 HydrophobicContact CD2-CD1 4.43Å; F94-F521 HydrophobicContact CD2-CE1 4.14Å; F94-F521 AromaticContact CE1-CE1 3.82Å; F94-F521 HydrophobicContact CE1-CE1 3.82Å; F94-F521 HydrophobicContact CE1-CZ 4.39Å; F94-F521 HydrophobicContact CE2-CE1 4.47Å; F94-F521 AromaticContact CG-CD1 3.92Å; F94-F521 HydrophobicContact CG-CD1 3.92Å; F94-F521 AromaticContact CG-CE1 3.6Å; F94-F521 HydrophobicContact CG-CE1 3.6Å; F94-F521 HydrophobicContact CZ-CE1 4.3Å; M505-F521 HydrophobicContact CE-CZ 4.03Å; F516-F521 AromaticContact CD1-CE2 3.98Å; F516-F521 HydrophobicContact CD1-CE2 3.98Å; F516-F521 HydrophobicContact CE1-CD2 4.5Å; F516-F521 AromaticContact CE1-CE2 3.48Å; F516-F521 HydrophobicContact CE1-CE2 3.48Å; F516-F521 VanDerWaalsContact CE1-CE2 3.48Å; F516-F521 HydrophobicContact CE1-CZ 4.13Å; F516-F521 AromaticContact CZ-CE2 3.8Å; F516-F521 HydrophobicContact CZ-CE2 3.8Å; F516-F521 HydrophobicContact CZ-CZ 4.24Å; V517-F521 PolarHBondContact O-N 2.79Å; F521-A523 PolarHBondContact O-N 3.4Å; F521-Y524 CarbonylContact O-C 3.55Å; F521-Y524 PolarHBondContact O-N 2.91Å; F521-P525 WeakPolarHBondContact O-CA 3.17Å; F521-Y527 WeakPolarHBondContact CD1-O 3.49Å; F521-Y528 HydrophobicContact CE1-CD2 4.15Å; F521-Y528 AromaticContact CZ-CD2 3.96Å; F521-Y528 HydrophobicContact CZ-CD2 3.96Å
522	K	93.8	Very high	94.5	Very high	132 Å²	132	44.6 Å²	44.6	57%	0.574	24%	0.242	S	C	*	.	S	Bend	trans	-66.5	-36.6	-176.1	-177.4	175.6	-173.1	169.5	0	114.3	V517 D518 Y524	V517-K522 PolarHBondContact O-N 2.85Å; D518-K522 HydrophobicContact CB-CD 4.24Å; D518-K522 WeakPolarHBondContact OD1-CD 3.39Å; D518-K522 IonicContact OD1-NZ 3.53Å; D518-K522 PolarHBondContact OD1-NZ 3.45Å; D518-K522 IonicContact OD2-NZ 3.8Å; K522-Y524 VanDerWaalsContact C-N 3.29Å; K522-Y524 PolarHBondContact O-N 3.23Å
523	A	91.5	Very high	94.3	Very high	58 Å²	58	41.5 Å²	41.5	48%	0.479	23%	0.226	S	C	.	.	S	Bend	trans	-62.5	-38.9	-179	0	0	0	0	0	111.8	F521 F529	F521-A523 PolarHBondContact O-N 3.4Å; A523-F529 HydrophobicContact CB-CD1 3.9Å; A523-F529 HydrophobicContact CB-CE1 4.45Å; A523-F529 HydrophobicContact CB-CG 4.4Å
524	Y	94.5	Very high	94.2	Very high	31 Å²	31	37.8 Å²	37.8	12%	0.122	21%	0.208	C	C	.	.	S	Bend	trans	-135.6	84.7	179.7	-58.9	-72.2	0	0	0	109.5	M480 A495 C497 F521 K522 G526 Y527 F529	M480-Y524 HydrophobicContact CB-CD1 3.79Å; M480-Y524 HydrophobicContact CB-CE1 3.47Å; M480-Y524 VanDerWaalsContact CB-CE1 3.47Å; M480-Y524 HydrophobicContact CB-CE2 4.46Å; M480-Y524 HydrophobicContact CB-CG 4.4Å; M480-Y524 HydrophobicContact CG-CD1 3.72Å; M480-Y524 HydrophobicContact CG-CD2 4.46Å; M480-Y524 HydrophobicContact CG-CE1 3.96Å; M480-Y524 HydrophobicContact CG-CG 3.99Å; A495-Y524 HydrophobicContact CB-CE2 3.87Å; A495-Y524 VanDerWaalsContact CB-OH 3.27Å; A495-Y524 WeakPolarHBondContact CB-OH 3.45Å; C497-Y524 WeakPolarHBondContact SG-CD2 3.5Å; F521-Y524 CarbonylContact O-C 3.55Å; F521-Y524 PolarHBondContact O-N 2.91Å; K522-Y524 VanDerWaalsContact C-N 3.29Å; K522-Y524 PolarHBondContact O-N 3.23Å; Y524-G526 PolarHBondContact O-N 2.86Å; Y524-Y527 PolarHBondContact O-N 2.84Å; Y524-F529 HydrophobicContact CD2-CB 3.94Å; Y524-F529 HydrophobicContact CD2-CD1 4.44Å; Y524-F529 AromaticContact CD2-CD2 3.74Å; Y524-F529 HydrophobicContact CD2-CD2 3.74Å; Y524-F529 HydrophobicContact CD2-CE2 4.38Å; Y524-F529 AromaticContact CD2-CG 3.77Å; Y524-F529 HydrophobicContact CD2-CG 3.77Å; Y524-F529 HydrophobicContact CE2-CD1 4.38Å; Y524-F529 AromaticContact CE2-CD2 3.6Å; Y524-F529 HydrophobicContact CE2-CD2 3.6Å; Y524-F529 HydrophobicContact CE2-CE1 4.47Å; Y524-F529 AromaticContact CE2-CE2 3.77Å; Y524-F529 HydrophobicContact CE2-CE2 3.77Å; Y524-F529 AromaticContact CE2-CG 3.93Å; Y524-F529 HydrophobicContact CE2-CG 3.93Å; Y524-F529 HydrophobicContact CE2-CZ 4.17Å
525	P	94.4	Very high	94.1	Very high	104 Å²	104	34 Å²	34	68%	0.675	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.2	132.7	-175.6	-28	35.9	0	0	0	112.9	F521 Y527	F521-P525 WeakPolarHBondContact O-CA 3.17Å; P525-Y527 VanDerWaalsContact C-N 3.34Å; P525-Y527 WeakPolarHBondContact O-CD2 3.46Å
526	G	94.1	Very high	94.3	Very high	35 Å²	35	33.3 Å²	33.3	36%	0.361	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.5	2.3	-175.7	0	0	0	0	0	114.5	F94 Y524	F94-G526 WeakPolarHBondContact CD2-O 3.28Å; Y524-G526 PolarHBondContact O-N 2.86Å
527	Y	97.2	Very high	94.3	Very high	69 Å²	69	34.5 Å²	34.5	27%	0.271	20%	0.195	S	C	.	.	S	Bend	trans	-133.5	148.2	178.1	-56.8	-93.8	0	0	0	110.9	V478 M480 F521 Y524 P525 F529	V478-Y527 HydrophobicContact CG1-CE1 4.39Å; V478-Y527 HydrophobicContact CG2-CD1 3.54Å; V478-Y527 HydrophobicContact CG2-CE1 3.76Å; V478-Y527 HydrophobicContact CG2-CG 4.45Å; M480-Y527 HydrophobicContact CE-CD1 3.49Å; M480-Y527 VanDerWaalsContact CE-CD1 3.49Å; M480-Y527 HydrophobicContact CE-CD2 3.25Å; M480-Y527 HydrophobicContact CE-CE1 3.61Å; M480-Y527 HydrophobicContact CE-CE2 3.38Å; M480-Y527 HydrophobicContact CE-CG 3.33Å; F521-Y527 WeakPolarHBondContact CD1-O 3.49Å; Y524-Y527 PolarHBondContact O-N 2.84Å; P525-Y527 VanDerWaalsContact C-N 3.34Å; P525-Y527 WeakPolarHBondContact O-CD2 3.46Å; Y527-F529 PolarHBondContact O-N 3.32Å
528	Y	98.1	Very high	94.1	Very high	1 Å²	1	41.3 Å²	41.3	0%	0.004	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	112.5	166.8	172.8	-93.1	0	0	0	109.1	Q444 E446 C497 I498 W502 Y520 F521 T530	Q444-Y528 PolarHBondContact OE1-OH 3.36Å; Q444-Y528 VanDerWaalsContact OE1-OH 3.07Å; E446-Y528 WeakPolarHBondContact CB-OH 3.31Å; C497-Y528 CarbonylContact C-O 3.45Å; C497-Y528 WeakPolarHBondContact CA-O 3.24Å; C497-Y528 WeakPolarHBondContact CB-O 3.35Å; I498-Y528 HydrophobicContact CB-CD1 4.41Å; I498-Y528 HydrophobicContact CD1-CD1 4.08Å; I498-Y528 HydrophobicContact CG1-CD1 4.37Å; I498-Y528 PolarHBondContact N-O 2.86Å; I498-Y528 PolarHBondContact O-N 3Å; W502-Y528 AromaticContact CH2-CD1 3.74Å; W502-Y528 HydrophobicContact CH2-CD1 3.74Å; W502-Y528 HydrophobicContact CH2-CE1 4.08Å; W502-Y528 AromaticContact CH2-CG 3.99Å; W502-Y528 HydrophobicContact CH2-CG 3.99Å; W502-Y528 HydrophobicContact CZ3-CD1 4.43Å; W502-Y528 HydrophobicContact CZ3-CG 4.48Å; Y520-Y528 AromaticContact CD1-CE2 3.68Å; Y520-Y528 HydrophobicContact CD1-CE2 3.68Å; Y520-Y528 AromaticContact CD1-CZ 3.98Å; Y520-Y528 HydrophobicContact CG-CD2 4.45Å; Y520-Y528 AromaticContact CG-CE2 3.8Å; Y520-Y528 HydrophobicContact CG-CE2 3.8Å; Y520-Y528 CarbonylContact O-C 3.21Å; Y520-Y528 WeakPolarHBondContact O-CA 3.3Å; F521-Y528 HydrophobicContact CE1-CD2 4.15Å; F521-Y528 AromaticContact CZ-CD2 3.96Å; F521-Y528 HydrophobicContact CZ-CD2 3.96Å; Y528-T530 HydrophobicContact CD1-CG2 4.04Å; Y528-T530 HydrophobicContact CE1-CG2 3.89Å
529	F	97.1	Very high	93.9	Very high	30 Å²	30	41.1 Å²	41.1	13%	0.132	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	123.1	173.3	-178.4	-138.8	0	0	0	111	A495 Y520 A523 Y524 Y527 G531 M548	A495-F529 HydrophobicContact CB-CE2 3.91Å; Y520-F529 PolarHBondContact O-N 2.99Å; A523-F529 HydrophobicContact CB-CD1 3.9Å; A523-F529 HydrophobicContact CB-CE1 4.45Å; A523-F529 HydrophobicContact CB-CG 4.4Å; Y524-F529 HydrophobicContact CD2-CB 3.94Å; Y524-F529 HydrophobicContact CD2-CD1 4.44Å; Y524-F529 AromaticContact CD2-CD2 3.74Å; Y524-F529 HydrophobicContact CD2-CD2 3.74Å; Y524-F529 HydrophobicContact CD2-CE2 4.38Å; Y524-F529 AromaticContact CD2-CG 3.77Å; Y524-F529 HydrophobicContact CD2-CG 3.77Å; Y524-F529 HydrophobicContact CE2-CD1 4.38Å; Y524-F529 AromaticContact CE2-CD2 3.6Å; Y524-F529 HydrophobicContact CE2-CD2 3.6Å; Y524-F529 HydrophobicContact CE2-CE1 4.47Å; Y524-F529 AromaticContact CE2-CE2 3.77Å; Y524-F529 HydrophobicContact CE2-CE2 3.77Å; Y524-F529 AromaticContact CE2-CG 3.93Å; Y524-F529 HydrophobicContact CE2-CG 3.93Å; Y524-F529 HydrophobicContact CE2-CZ 4.17Å; Y527-F529 PolarHBondContact O-N 3.32Å; F529-G531 VanDerWaalsContact CE2-N 3.34Å; F529-M548 HydrophobicContact CE2-CG 4.25Å; F529-M548 HydrophobicContact CZ-CB 4.17Å; F529-M548 HydrophobicContact CZ-CG 4.06Å
530	T	95.6	Very high	94	Very high	4 Å²	4	40.6 Å²	40.6	3%	0.025	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	-22.3	-178	69	0	0	0	0	112.1	W442 Q444 L496 I498 Y528 D532 R547	W442-T530 HydrophobicContact CH2-CG2 3.55Å; W442-T530 HydrophobicContact CZ2-CG2 3.92Å; Q444-T530 PolarHBondContact NE2-O 2.98Å; L496-T530 HydrophobicContact CD2-CG2 4.34Å; L496-T530 HydrophobicContact CG-CG2 4.08Å; L496-T530 WeakPolarHBondContact O-CB 3.43Å; L496-T530 VanDerWaalsContact O-CG2 3.26Å; L496-T530 WeakPolarHBondContact O-CG2 3.35Å; L496-T530 PolarHBondContact O-N 3.48Å; L496-T530 PolarHBondContact O-OG1 2.88Å; I498-T530 HydrophobicContact CD1-CG2 4.33Å; I498-T530 HydrophobicContact CG1-CG2 4.27Å; Y528-T530 HydrophobicContact CD1-CG2 4.04Å; Y528-T530 HydrophobicContact CE1-CG2 3.89Å; T530-D532 PolarHBondContact O-N 3.01Å; T530-D532 PolarHBondContact OG1-N 3.24Å; T530-R547 PolarHBondContact O-NH1 3Å
531	G	91.6	Very high	94.1	Very high	3 Å²	3	41.8 Å²	41.8	3%	0.031	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	76.1	3.6	-167.4	0	0	0	0	0	114.1	F529 R547 M548	F529-G531 VanDerWaalsContact CE2-N 3.34Å; G531-R547 VanDerWaalsContact O-CZ 3.28Å; G531-R547 PolarHBondContact O-NH1 2.83Å; G531-M548 PolarHBondContact O-N 3.46Å
532	D	91.3	Very high	94.1	Very high	14 Å²	14	42.3 Å²	42.3	8%	0.075	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	151.7	175.4	-64.7	-46.2	0	0	0	110.7	W442 Q444 L496 T530 I544 G546 R547	W442-D532 HydrophobicContact CZ2-CB 4.44Å; W442-D532 WeakPolarHBondContact CZ2-OD2 3.28Å; W442-D532 PolarHBondContact NE1-OD2 3.14Å; Q444-D532 PolarHBondContact NE2-OD2 3.01Å; L496-D532 WeakPolarHBondContact CB-O 3.46Å; L496-D532 PolarHBondContact N-O 3.31Å; T530-D532 PolarHBondContact O-N 3.01Å; T530-D532 PolarHBondContact OG1-N 3.24Å; D532-I544 HydrophobicContact CB-CG2 4.35Å; D532-G546 CarbonylContact C-O 3.59Å; D532-G546 WeakPolarHBondContact CA-O 3.36Å; D532-R547 WeakPolarHBondContact OD1-CD 3.44Å; D532-R547 IonicContact OD1-NH1 2.76Å
533	G	91.3	Very high	94	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.01	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	151.2	167	0	0	0	0	0	110.3	G494 T545 G546 M548	G494-G533 WeakPolarHBondContact O-CA 3.1Å; G533-T545 WeakPolarHBondContact CA-OG1 3.38Å; G533-T545 PolarHBondContact O-N 2.75Å; G533-T545 PolarHBondContact O-OG1 3.48Å; G533-G546 PolarHBondContact N-O 3.21Å; G533-M548 VanDerWaalsContact CA-SD 3.58Å
534	A	93.9	Very high	93.9	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	154.4	173	0	0	0	0	0	112.5	L479 S493 G494 L496 Y542 Q543 I544	L479-A534 HydrophobicContact CD2-CB 3.82Å; S493-A534 WeakPolarHBondContact CA-O 3.31Å; G494-A534 PolarHBondContact N-O 3.01Å; G494-A534 PolarHBondContact O-N 3.28Å; L496-A534 HydrophobicContact CB-CB 3.96Å; L496-A534 HydrophobicContact CD1-CB 4.17Å; L496-A534 HydrophobicContact CD2-CB 4.17Å; L496-A534 HydrophobicContact CG-CB 4.32Å; A534-Y542 HydrophobicContact CB-CD1 4.49Å; A534-Q543 CarbonylContact C-O 3.49Å; A534-Q543 WeakPolarHBondContact CA-O 3.47Å; A534-Q543 VanDerWaalsContact CB-O 3.32Å; A534-Q543 WeakPolarHBondContact CB-O 3.47Å; A534-I544 HydrophobicContact CB-CD1 4.24Å
535	H	93	Very high	93.3	Very high	33 Å²	33	37.2 Å²	37.2	15%	0.153	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	129.9	169.3	176.3	69.6	0	0	0	109.3	N491 V492 S493 Y542 Q543 T545	N491-H535 PolarHBondContact OD1-CE1 3.28Å; N491-H535 PolarHBondContact OD1-NE2 2.75Å; V492-H535 CarbonylContact O-C 3.56Å; V492-H535 WeakPolarHBondContact O-CA 3.22Å; V492-H535 PolarHBondContact O-ND1 3.08Å; S493-H535 PolarHBondContact OG-ND1 3.2Å; H535-Y542 WeakPolarHBondContact O-CA 3.43Å; H535-Q543 HydrophobicContact CB-CB 4.47Å; H535-Q543 PolarHBondContact N-O 2.95Å; H535-Q543 PolarHBondContact O-N 3.31Å; H535-T545 HydrophobicContact CB-CG2 4.22Å
536	R	96.1	Very high	92.4	Very high	42 Å²	42	32.9 Å²	32.9	16%	0.158	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	115.2	171.6	178.5	168.7	68.4	-149.7	-2.1	109.1	L479 V487 G489 N491 V492 Y541 Y542	L479-R536 HydrophobicContact CD1-CB 3.73Å; V487-R536 PolarHBondContact O-NH2 2.94Å; G489-R536 VanDerWaalsContact O-CZ 3.31Å; G489-R536 PolarHBondContact O-NE 3.46Å; G489-R536 VanDerWaalsContact O-NE 3.13Å; G489-R536 PolarHBondContact O-NH2 3.01Å; N491-R536 CarbonylContact C-O 3.57Å; N491-R536 WeakPolarHBondContact CA-O 3.35Å; N491-R536 PolarHBondContact N-O 3.35Å; V492-R536 HydrophobicContact CG2-CB 4.36Å; V492-R536 PolarHBondContact N-O 3.49Å; V492-R536 PolarHBondContact O-N 2.92Å; R536-Y541 CarbonylContact C-O 3.42Å; R536-Y541 VanDerWaalsContact CA-O 3.31Å; R536-Y541 WeakPolarHBondContact CA-O 3.47Å; R536-Y542 HydrophobicContact CB-CD1 4.35Å; R536-Y542 HydrophobicContact CB-CE1 4.04Å; R536-Y542 WeakPolarHBondContact CD-OH 3.35Å; R536-Y542 HydrophobicContact CG-CE1 4.33Å; R536-Y542 PolarHBondContact NH1-OH 3.22Å
537	T	94.9	Very high	91.8	Very high	24 Å²	24	35 Å²	35	15%	0.147	19%	0.187	C	C	.	.			trans	-70.1	173.7	-178.7	70	0	0	0	0	112.6	M467 N491 G539 G540 Y541	M467-T537 HydrophobicContact CE-CG2 3.98Å; M467-T537 HydrophobicContact SD-CG2 4.22Å; N491-T537 PolarHBondContact N-O 3.26Å; T537-G539 VanDerWaalsContact C-N 3.26Å; T537-G539 PolarHBondContact O-N 2.68Å; T537-G539 PolarHBondContact OG1-N 2.95Å; T537-G540 PolarHBondContact O-N 3.44Å; T537-Y541 PolarHBondContact N-O 2.89Å; T537-Y541 WeakPolarHBondContact OG1-CB 3.49Å; T537-Y541 PolarHBondContact OG1-N 2.81Å; T537-Y541 VanDerWaalsContact OG1-N 3.1Å
538	E	92.6	Very high	90.8	Very high	163 Å²	163	33.2 Å²	33.2	76%	0.762	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-40.5	172.3	-168.1	172.2	-172.2	0	0	112.3	G540	E538-G540 PolarHBondContact O-N 2.95Å
539	G	89.6	Confident	89.4	Confident	60 Å²	60	38 Å²	38	62%	0.619	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.3	3.6	175.6	0	0	0	0	0	114.9	T537 Y541	T537-G539 VanDerWaalsContact C-N 3.26Å; T537-G539 PolarHBondContact O-N 2.68Å; T537-G539 PolarHBondContact OG1-N 2.95Å; G539-Y541 VanDerWaalsContact C-N 3.33Å; G539-Y541 PolarHBondContact O-N 3.39Å
540	G	93	Very high	87.9	Confident	33 Å²	33	37.9 Å²	37.9	34%	0.34	21%	0.208	S	C	.	.	S	Bend	trans	76.8	14.2	179	0	0	0	0	0	114.9	T537 E538	T537-G540 PolarHBondContact O-N 3.44Å; E538-G540 PolarHBondContact O-N 2.95Å
541	Y	96.2	Very high	86.5	Confident	36 Å²	36	38.7 Å²	38.7	14%	0.141	21%	0.213	C	C	.	.			trans	-79.9	144.3	174.5	-59.3	-40.8	0	0	0	111.1	E462 L464 M469 R470 R536 T537 G539	E462-Y541 HydrophobicContact CG-CE2 4.3Å; E462-Y541 WeakPolarHBondContact CG-OH 3.48Å; E462-Y541 VanDerWaalsContact OE1-CE2 3.26Å; E462-Y541 WeakPolarHBondContact OE1-CE2 3.44Å; E462-Y541 PolarHBondContact OE1-OH 2.87Å; L464-Y541 HydrophobicContact CD1-CD2 3.6Å; L464-Y541 HydrophobicContact CD1-CE2 3.95Å; L464-Y541 HydrophobicContact CG-CD2 4.46Å; L464-Y541 HydrophobicContact CG-CE2 4.49Å; M469-Y541 HydrophobicContact CB-CD1 4.01Å; M469-Y541 HydrophobicContact CB-CG 4.23Å; M469-Y541 HydrophobicContact CE-CD1 3.77Å; M469-Y541 HydrophobicContact CE-CD2 3.64Å; M469-Y541 HydrophobicContact CE-CE1 3.63Å; M469-Y541 HydrophobicContact CE-CE2 3.48Å; M469-Y541 VanDerWaalsContact CE-CE2 3.48Å; M469-Y541 HydrophobicContact CE-CG 3.78Å; M469-Y541 VanDerWaalsContact CE-CZ 3.49Å; M469-Y541 HydrophobicContact CG-CG 4.44Å; R470-Y541 HydrophobicContact CG-CD1 4.03Å; R470-Y541 HydrophobicContact CG-CE1 4.02Å; R470-Y541 VanDerWaalsContact NH2-CZ 3.35Å; R470-Y541 PolarHBondContact NH2-OH 2.77Å; R536-Y541 CarbonylContact C-O 3.42Å; R536-Y541 VanDerWaalsContact CA-O 3.31Å; R536-Y541 WeakPolarHBondContact CA-O 3.47Å; T537-Y541 PolarHBondContact N-O 2.89Å; T537-Y541 WeakPolarHBondContact OG1-CB 3.49Å; T537-Y541 PolarHBondContact OG1-N 2.81Å; T537-Y541 VanDerWaalsContact OG1-N 3.1Å; G539-Y541 VanDerWaalsContact C-N 3.33Å; G539-Y541 PolarHBondContact O-N 3.39Å
542	Y	96.3	Very high	85.7	Confident	15 Å²	15	38.6 Å²	38.6	6%	0.059	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	124.9	178.1	-69.8	-93	0	0	0	110.9	I452 M467 M469 P477 L479 L496 A534 H535 R536	I452-Y542 HydrophobicContact CD1-CG 4.41Å; M467-Y542 WeakPolarHBondContact CG-O 3.38Å; M469-Y542 PolarHBondContact N-O 3.35Å; M469-Y542 PolarHBondContact O-N 2.91Å; P477-Y542 HydrophobicContact CB-CD1 4.35Å; P477-Y542 HydrophobicContact CB-CE1 3.8Å; P477-Y542 HydrophobicContact CB-CE2 4.22Å; P477-Y542 HydrophobicContact CG-CD2 4.06Å; P477-Y542 HydrophobicContact CG-CE1 3.94Å; P477-Y542 HydrophobicContact CG-CE2 3.42Å; P477-Y542 VanDerWaalsContact CG-CE2 3.42Å; P477-Y542 PolarHBondContact O-OH 3.33Å; L479-Y542 HydrophobicContact CD2-CD1 4.49Å; L479-Y542 HydrophobicContact CD2-CE1 4.22Å; L479-Y542 HydrophobicContact CG-CE1 4.31Å; L496-Y542 HydrophobicContact CD1-CD1 4.34Å; L496-Y542 HydrophobicContact CD1-CE1 4.48Å; A534-Y542 HydrophobicContact CB-CD1 4.49Å; H535-Y542 WeakPolarHBondContact O-CA 3.43Å; R536-Y542 HydrophobicContact CB-CD1 4.35Å; R536-Y542 HydrophobicContact CB-CE1 4.04Å; R536-Y542 WeakPolarHBondContact CD-OH 3.35Å; R536-Y542 HydrophobicContact CG-CE1 4.33Å; R536-Y542 PolarHBondContact NH1-OH 3.22Å
543	Q	92.6	Very high	84.5	Confident	67 Å²	67	40.8 Å²	40.8	31%	0.313	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	132.1	167.8	-172.6	173.5	8	0	0	109	M467 A534 H535	M467-Q543 HydrophobicContact CE-CB 4.04Å; M467-Q543 HydrophobicContact CE-CG 4.43Å; M467-Q543 HydrophobicContact CG-CB 3.94Å; M467-Q543 HydrophobicContact CG-CG 4.33Å; M467-Q543 HydrophobicContact SD-CB 4.38Å; A534-Q543 CarbonylContact C-O 3.49Å; A534-Q543 WeakPolarHBondContact CA-O 3.47Å; A534-Q543 VanDerWaalsContact CB-O 3.32Å; A534-Q543 WeakPolarHBondContact CB-O 3.47Å; H535-Q543 HydrophobicContact CB-CB 4.47Å; H535-Q543 PolarHBondContact N-O 2.95Å; H535-Q543 PolarHBondContact O-N 3.31Å
544	I	88.9	Confident	83.6	Confident	27 Å²	27	40.8 Å²	40.8	14%	0.138	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	123.3	179.9	-51.4	-61.7	0	0	0	108.2	W442 I452 A468 L496 D532 A534	W442-I544 HydrophobicContact CB-CD1 4.28Å; W442-I544 HydrophobicContact CB-CG1 3.9Å; W442-I544 VanDerWaalsContact CD1-CG1 3.49Å; W442-I544 HydrophobicContact CD2-CD1 3.82Å; W442-I544 HydrophobicContact CD2-CG1 4.28Å; W442-I544 HydrophobicContact CG-CD1 3.68Å; W442-I544 HydrophobicContact CG-CG1 3.59Å; I452-I544 HydrophobicContact CD1-CD1 4.41Å; A468-I544 HydrophobicContact CB-CG1 4.4Å; L496-I544 HydrophobicContact CD2-CD1 3.76Å; D532-I544 HydrophobicContact CB-CG2 4.35Å; A534-I544 HydrophobicContact CB-CD1 4.24Å
545	T	81.9	Confident	81.9	Confident	21 Å²	21	44 Å²	44	13%	0.129	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	-0.9	-176.2	58.9	0	0	0	0	113	G533 H535 A562	G533-T545 WeakPolarHBondContact CA-OG1 3.38Å; G533-T545 PolarHBondContact O-N 2.75Å; G533-T545 PolarHBondContact O-OG1 3.48Å; H535-T545 HydrophobicContact CB-CG2 4.22Å; T545-A562 VanDerWaalsContact O-CB 3.31Å; T545-A562 WeakPolarHBondContact O-CB 3.31Å
546	G	75.1	Confident	79.5	Confident	12 Å²	12	45.5 Å²	45.5	12%	0.124	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	114	-170.1	176.8	0	0	0	0	0	113.1	D532 G533	D532-G546 CarbonylContact C-O 3.59Å; D532-G546 WeakPolarHBondContact CA-O 3.36Å; G533-G546 PolarHBondContact N-O 3.21Å
547	R	80.8	Confident	77.2	Confident	79 Å²	79	47.8 Å²	47.8	30%	0.298	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	136.1	179.1	-69.9	-67.2	-65.8	168.4	8.2	110.4	T530 G531 D532 D549 D550 V551	T530-R547 PolarHBondContact O-NH1 3Å; G531-R547 VanDerWaalsContact O-CZ 3.28Å; G531-R547 PolarHBondContact O-NH1 2.83Å; D532-R547 WeakPolarHBondContact OD1-CD 3.44Å; D532-R547 IonicContact OD1-NH1 2.76Å; R547-D549 IonicContact CZ-OD2 2.58Å; R547-D549 IonicContact NE-OD2 3.06Å; R547-D549 IonicContact NH2-OD2 3.37Å; R547-D549 PolarHBondContact NH2-OD2 3.25Å; R547-D549 PolarHBondContact O-N 3.02Å; R547-D550 HydrophobicContact CB-CB 4.04Å; R547-D550 CarbonylContact O-C 3.57Å; R547-D550 WeakPolarHBondContact O-CA 3.28Å; R547-D550 WeakPolarHBondContact O-CB 3.47Å; R547-D550 PolarHBondContact O-N 2.85Å; R547-V551 PolarHBondContact O-N 3.45Å
548	M	76.3	Confident	75.3	Confident	33 Å²	33	52.3 Å²	52.3	16%	0.163	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-63	-30.9	173.1	-69.9	-61.7	-69.1	0	0	112.3	A495 F529 G531 G533 D550 V551	A495-M548 HydrophobicContact CB-CE 3.94Å; A495-M548 HydrophobicContact CB-CG 4.43Å; A495-M548 HydrophobicContact CB-SD 4.33Å; F529-M548 HydrophobicContact CE2-CG 4.25Å; F529-M548 HydrophobicContact CZ-CB 4.17Å; F529-M548 HydrophobicContact CZ-CG 4.06Å; G531-M548 PolarHBondContact O-N 3.46Å; G533-M548 VanDerWaalsContact CA-SD 3.58Å; M548-D550 PolarHBondContact O-N 3.19Å; M548-V551 WeakPolarHBondContact O-CB 3.49Å; M548-V551 PolarHBondContact O-N 3.13Å; M548-V551 VanDerWaalsContact O-N 3.16Å; M548-V551 HydrophobicContact SD-CG2 3.94Å
549	D	68.8	Low	73.8	Confident	101 Å²	101	44.8 Å²	44.8	54%	0.54	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-67.5	-18.5	173	-49.8	-44.8	0	0	0	112.5	R547 R648	R547-D549 IonicContact CZ-OD2 2.58Å; R547-D549 IonicContact NE-OD2 3.06Å; R547-D549 IonicContact NH2-OD2 3.37Å; R547-D549 PolarHBondContact NH2-OD2 3.25Å; R547-D549 PolarHBondContact O-N 3.02Å; D549-R648 PolarHBondContact O-NH2 3.47Å
550	D	66.1	Low	72.7	Confident	28 Å²	28	42.1 Å²	42.1	15%	0.15	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-102	5.4	176.1	-66.5	-36	0	0	0	112.1	R547 M548 T561 R648	R547-D550 HydrophobicContact CB-CB 4.04Å; R547-D550 CarbonylContact O-C 3.57Å; R547-D550 WeakPolarHBondContact O-CA 3.28Å; R547-D550 WeakPolarHBondContact O-CB 3.47Å; R547-D550 PolarHBondContact O-N 2.85Å; M548-D550 PolarHBondContact O-N 3.19Å; D550-T561 HydrophobicContact CB-CG2 4.47Å; D550-T561 WeakPolarHBondContact O-CG2 3.39Å; D550-T561 PolarHBondContact O-OG1 2.88Å; D550-R648 IonicContact OD1-NH2 3.72Å
551	V	67.3	Low	72.2	Confident	21 Å²	21	40.8 Å²	40.8	13%	0.127	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	133.7	171.9	170.8	0	0	0	0	109.2	R547 M548 R558 L559	R547-V551 PolarHBondContact O-N 3.45Å; M548-V551 WeakPolarHBondContact O-CB 3.49Å; M548-V551 PolarHBondContact O-N 3.13Å; M548-V551 VanDerWaalsContact O-N 3.16Å; M548-V551 HydrophobicContact SD-CG2 3.94Å; V551-R558 HydrophobicContact CG1-CB 3.83Å; V551-R558 HydrophobicContact CG1-CG 4.19Å; V551-L559 WeakPolarHBondContact CA-O 3.17Å
552	I	74.8	Confident	71	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	133.8	179.3	-46	175.1	0	0	0	108.4	I554 R558 L559 T561 I564 V579 I580 E589 A591	I552-I554 HydrophobicContact CB-CG1 4.32Å; I552-I554 HydrophobicContact CG2-CD1 4.05Å; I552-I554 HydrophobicContact CG2-CG1 3.58Å; I552-R558 WeakPolarHBondContact O-CA 3.36Å; I552-L559 PolarHBondContact N-O 3.4Å; I552-L559 PolarHBondContact O-N 2.84Å; I552-T561 HydrophobicContact CD1-CG2 3.7Å; I552-T561 HydrophobicContact CG1-CG2 3.91Å; I552-I564 HydrophobicContact CD1-CD1 4.47Å; I552-V579 HydrophobicContact CD1-CG1 3.9Å; I552-I580 VanDerWaalsContact CD1-C 3.44Å; I552-I580 WeakPolarHBondContact CD1-O 3.34Å; I552-E589 WeakPolarHBondContact CA-OE2 3.42Å; I552-E589 HydrophobicContact CG2-CB 3.78Å; I552-A591 HydrophobicContact CD1-CB 3.96Å
553	N	64.6	Low	69.7	Low	60 Å²	60	42.3 Å²	42.3	32%	0.321	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	96.7	173.4	-171.4	-12.8	0	0	0	111.1	G556 H557 R558 E589	N553-G556 VanDerWaalsContact OD1-C 3.28Å; N553-G556 WeakPolarHBondContact OD1-CA 3.16Å; N553-G556 PolarHBondContact OD1-N 3.42Å; N553-G556 VanDerWaalsContact OD1-N 3.08Å; N553-H557 WeakPolarHBondContact CA-O 3.23Å; N553-H557 PolarHBondContact OD1-N 3.43Å; N553-R558 HydrophobicContact CB-CG 4.36Å; N553-E589 PolarHBondContact N-OE2 3.46Å; N553-E589 WeakPolarHBondContact O-CB 3.37Å; N553-E589 PolarHBondContact O-N 3.47Å
554	I	71.9	Confident	69	Low	2 Å²	2	39.1 Å²	39.1	1%	0.01	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	107.6	-177.7	-49.9	178.6	0	0	0	109.1	I552 G556 H557 K587 A591 Y622	I552-I554 HydrophobicContact CB-CG1 4.32Å; I552-I554 HydrophobicContact CG2-CD1 4.05Å; I552-I554 HydrophobicContact CG2-CG1 3.58Å; I554-G556 PolarHBondContact O-N 3.17Å; I554-H557 PolarHBondContact N-O 3.08Å; I554-H557 WeakPolarHBondContact O-CB 3.39Å; I554-H557 PolarHBondContact O-N 3.06Å; I554-H557 PolarHBondContact O-ND1 3.43Å; I554-K587 HydrophobicContact CG2-CB 4.24Å; I554-K587 HydrophobicContact CG2-CD 3.95Å; I554-A591 HydrophobicContact CD1-CB 3.94Å; I554-Y622 WeakPolarHBondContact CG2-O 3.15Å
555	S	58.6	Low	68.9	Low	68 Å²	68	38.8 Å²	38.8	48%	0.476	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	41.4	-180	-57.3	0	0	0	0	113.2	H557 K587	S555-H557 VanDerWaalsContact C-N 3.33Å; S555-H557 PolarHBondContact O-N 3.31Å; S555-H557 PolarHBondContact O-ND1 2.74Å; S555-K587 PolarHBondContact N-O 3.38Å
556	G	43.5	Very low	68.5	Low	64 Å²	64	40.9 Å²	40.9	66%	0.66	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.4	-2	-178.9	0	0	0	0	0	115.1	N553 I554	N553-G556 VanDerWaalsContact OD1-C 3.28Å; N553-G556 WeakPolarHBondContact OD1-CA 3.16Å; N553-G556 PolarHBondContact OD1-N 3.42Å; N553-G556 VanDerWaalsContact OD1-N 3.08Å; I554-G556 PolarHBondContact O-N 3.17Å
557	H	47.1	Very low	68.6	Low	89 Å²	89	40.5 Å²	40.5	41%	0.412	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	123.5	176.9	-57.7	78.1	0	0	0	109.9	N553 I554 S555 Y622	N553-H557 WeakPolarHBondContact CA-O 3.23Å; N553-H557 PolarHBondContact OD1-N 3.43Å; I554-H557 PolarHBondContact N-O 3.08Å; I554-H557 WeakPolarHBondContact O-CB 3.39Å; I554-H557 PolarHBondContact O-N 3.06Å; I554-H557 PolarHBondContact O-ND1 3.43Å; S555-H557 VanDerWaalsContact C-N 3.33Å; S555-H557 PolarHBondContact O-N 3.31Å; S555-H557 PolarHBondContact O-ND1 2.74Å; H557-Y622 HydrophobicContact CB-CD2 3.97Å; H557-Y622 HydrophobicContact CB-CE2 3.67Å; H557-Y622 AromaticContact CD2-CE1 3.94Å; H557-Y622 AromaticContact CD2-CZ 3.83Å; H557-Y622 AromaticContact CG-CE2 3.96Å
558	R	54.9	Low	69	Low	119 Å²	119	36.8 Å²	36.8	45%	0.449	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	124.7	178.3	-73	-174.1	73	148.3	9	111.2	E482 V551 I552 N553	E482-R558 WeakPolarHBondContact OE1-CD 3.41Å; E482-R558 IonicContact OE1-CZ 2.73Å; E482-R558 IonicContact OE1-NE 2.93Å; E482-R558 IonicContact OE1-NH1 3.61Å; E482-R558 PolarHBondContact OE1-NH1 3.47Å; V551-R558 HydrophobicContact CG1-CB 3.83Å; V551-R558 HydrophobicContact CG1-CG 4.19Å; I552-R558 WeakPolarHBondContact O-CA 3.36Å; N553-R558 HydrophobicContact CB-CG 4.36Å
559	L	62.6	Low	69.2	Low	5 Å²	5	36 Å²	36	3%	0.026	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	127.7	-173.5	-164.9	68.8	0	0	0	109.9	V551 I552 E563 I564 I619 A623	V551-L559 WeakPolarHBondContact CA-O 3.17Å; I552-L559 PolarHBondContact N-O 3.4Å; I552-L559 PolarHBondContact O-N 2.84Å; L559-E563 HydrophobicContact CD1-CB 4.36Å; L559-E563 VanDerWaalsContact CD1-OE2 3.23Å; L559-E563 WeakPolarHBondContact CD1-OE2 3.28Å; L559-I564 HydrophobicContact CD2-CD1 3.38Å; L559-I564 HydrophobicContact CD2-CG1 3.42Å; L559-I564 VanDerWaalsContact CD2-CG1 3.42Å; L559-I564 HydrophobicContact CG-CD1 4.28Å; L559-I564 HydrophobicContact CG-CG1 4.17Å; L559-I619 HydrophobicContact CD1-CG2 3.85Å; L559-I619 HydrophobicContact CD2-CG2 4.43Å; L559-A623 HydrophobicContact CD2-CB 3.45Å; L559-A623 VanDerWaalsContact CD2-CB 3.45Å
560	G	65.8	Low	69.8	Low	4 Å²	4	35.7 Å²	35.7	4%	0.041	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	136.4	169.3	0	0	0	0	0	109.9	A562 E563	G560-A562 PolarHBondContact O-N 2.8Å; G560-E563 PolarHBondContact O-N 2.71Å; G560-E563 VanDerWaalsContact O-N 3.16Å
561	T	81.7	Confident	70.7	Confident	5 Å²	5	35.2 Å²	35.2	3%	0.031	20%	0.2	C	C	.	.	H	α-helix	trans	-57.5	-34.5	172.4	36.8	0	0	0	0	112.1	D550 I552 E563 I564 E565 V579	D550-T561 HydrophobicContact CB-CG2 4.47Å; D550-T561 WeakPolarHBondContact O-CG2 3.39Å; D550-T561 PolarHBondContact O-OG1 2.88Å; I552-T561 HydrophobicContact CD1-CG2 3.7Å; I552-T561 HydrophobicContact CG1-CG2 3.91Å; T561-E563 VanDerWaalsContact C-N 3.29Å; T561-E563 PolarHBondContact O-N 2.97Å; T561-I564 PolarHBondContact O-N 3.19Å; T561-E565 WeakPolarHBondContact O-CB 3.31Å; T561-E565 VanDerWaalsContact O-CG 3.24Å; T561-E565 WeakPolarHBondContact O-CG 3.46Å; T561-E565 PolarHBondContact O-N 3Å; T561-V579 HydrophobicContact CG2-CB 4.13Å; T561-V579 HydrophobicContact CG2-CG1 4.11Å; T561-V579 WeakPolarHBondContact CG2-O 3.28Å
562	A	70.7	Confident	71.6	Confident	10 Å²	10	39.1 Å²	39.1	8%	0.083	23%	0.225	C	C	.	.	H	α-helix	trans	-60.1	-36.5	177.7	0	0	0	0	0	112.7	T545 G560 I564 E565 D566	T545-A562 VanDerWaalsContact O-CB 3.31Å; T545-A562 WeakPolarHBondContact O-CB 3.31Å; G560-A562 PolarHBondContact O-N 2.8Å; A562-I564 PolarHBondContact O-N 3.06Å; A562-E565 PolarHBondContact O-N 3.32Å; A562-D566 WeakPolarHBondContact O-CB 3.43Å; A562-D566 VanDerWaalsContact O-CG 3.29Å; A562-D566 PolarHBondContact O-N 2.97Å
563	E	68.9	Low	72.3	Confident	73 Å²	73	39.8 Å²	39.8	34%	0.341	23%	0.231	S	C	.	.	H	α-helix	trans	-63.8	-44.4	-179.8	-64.2	173.5	-140.6	0	0	111.3	L559 G560 T561 A567 I619	L559-E563 HydrophobicContact CD1-CB 4.36Å; L559-E563 VanDerWaalsContact CD1-OE2 3.23Å; L559-E563 WeakPolarHBondContact CD1-OE2 3.28Å; G560-E563 PolarHBondContact O-N 2.71Å; G560-E563 VanDerWaalsContact O-N 3.16Å; T561-E563 VanDerWaalsContact C-N 3.29Å; T561-E563 PolarHBondContact O-N 2.97Å; E563-A567 PolarHBondContact O-N 2.82Å; E563-A567 VanDerWaalsContact O-N 3.15Å; E563-I619 HydrophobicContact CB-CD1 4.29Å; E563-I619 VanDerWaalsContact O-CD1 3.29Å; E563-I619 WeakPolarHBondContact O-CD1 3.42Å
564	I	79.5	Confident	73.4	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-66.6	-43.3	174.7	-57.6	170.5	0	0	0	110.4	I552 L559 T561 A562 D566 A567 I568 V579 A591 V615 I619 P625	I552-I564 HydrophobicContact CD1-CD1 4.47Å; L559-I564 HydrophobicContact CD2-CD1 3.38Å; L559-I564 HydrophobicContact CD2-CG1 3.42Å; L559-I564 VanDerWaalsContact CD2-CG1 3.42Å; L559-I564 HydrophobicContact CG-CD1 4.28Å; L559-I564 HydrophobicContact CG-CG1 4.17Å; T561-I564 PolarHBondContact O-N 3.19Å; A562-I564 PolarHBondContact O-N 3.06Å; I564-D566 VanDerWaalsContact C-N 3.33Å; I564-D566 PolarHBondContact O-N 3.44Å; I564-A567 PolarHBondContact O-N 2.92Å; I564-I568 HydrophobicContact CG2-CD1 3.8Å; I564-I568 HydrophobicContact CG2-CG1 4.38Å; I564-I568 WeakPolarHBondContact O-CG1 3.46Å; I564-I568 PolarHBondContact O-N 3.43Å; I564-V579 HydrophobicContact CB-CG1 4.27Å; I564-V579 HydrophobicContact CB-CG2 4.04Å; I564-V579 HydrophobicContact CD1-CG1 3.89Å; I564-V579 HydrophobicContact CG2-CG1 4.3Å; I564-V579 HydrophobicContact CG2-CG2 3.75Å; I564-A591 HydrophobicContact CD1-CB 3.74Å; I564-V615 HydrophobicContact CG2-CG1 4.36Å; I564-V615 HydrophobicContact CG2-CG2 4.25Å; I564-I619 HydrophobicContact CB-CD1 4.41Å; I564-I619 HydrophobicContact CG1-CD1 4.09Å; I564-P625 HydrophobicContact CG2-CG 3.9Å
565	E	85.4	Confident	73.9	Confident	20 Å²	20	38.3 Å²	38.3	9%	0.093	23%	0.225	C	C	.	.	H	α-helix	trans	-60.1	-42.2	179.5	-72.8	169.4	-176.3	0	0	111.9	T561 A562 I568 A569 S577 A578 V579 R644	T561-E565 WeakPolarHBondContact O-CB 3.31Å; T561-E565 VanDerWaalsContact O-CG 3.24Å; T561-E565 WeakPolarHBondContact O-CG 3.46Å; T561-E565 PolarHBondContact O-N 3Å; A562-E565 PolarHBondContact O-N 3.32Å; E565-I568 PolarHBondContact O-N 3.05Å; E565-A569 VanDerWaalsContact O-CB 3.29Å; E565-A569 WeakPolarHBondContact O-CB 3.48Å; E565-A569 PolarHBondContact O-N 3.46Å; E565-S577 PolarHBondContact O-OG 3.05Å; E565-A578 WeakPolarHBondContact OE1-CA 3.32Å; E565-V579 HydrophobicContact CG-CB 3.9Å; E565-V579 HydrophobicContact CG-CG2 3.57Å; E565-V579 PolarHBondContact OE1-N 3.35Å; E565-R644 IonicContact OE1-CZ 2.76Å; E565-R644 IonicContact OE1-NE 3.52Å; E565-R644 PolarHBondContact OE1-NE 3.5Å; E565-R644 IonicContact OE1-NH2 3.08Å; E565-R644 PolarHBondContact OE1-NH2 2.78Å; E565-R644 IonicContact OE2-CZ 3.72Å; E565-R644 IonicContact OE2-NH2 3.83Å; E565-R644 PolarHBondContact OE2-NH2 2.88Å
566	D	74.4	Confident	75.3	Confident	65 Å²	65	36.4 Å²	36.4	35%	0.348	21%	0.208	S	C	.	.	H	α-helix	trans	-64.3	-45.3	176.6	-76.7	-20.1	0	0	0	111.2	A562 I564 I568 A569 D570	A562-D566 WeakPolarHBondContact O-CB 3.43Å; A562-D566 VanDerWaalsContact O-CG 3.29Å; A562-D566 PolarHBondContact O-N 2.97Å; I564-D566 VanDerWaalsContact C-N 3.33Å; I564-D566 PolarHBondContact O-N 3.44Å; D566-I568 VanDerWaalsContact C-N 3.26Å; D566-I568 PolarHBondContact O-N 3.03Å; D566-A569 PolarHBondContact O-N 3.44Å; D566-D570 PolarHBondContact O-N 3.39Å
567	A	76.9	Confident	77.6	Confident	5 Å²	5	34.1 Å²	34.1	4%	0.041	18%	0.182	C	C	.	.	H	α-helix	trans	-60.9	-36.3	175.4	0	0	0	0	0	112.3	E563 I564 V615 K618 I619	E563-A567 PolarHBondContact O-N 2.82Å; E563-A567 VanDerWaalsContact O-N 3.15Å; I564-A567 PolarHBondContact O-N 2.92Å; A567-V615 HydrophobicContact CB-CG2 4.18Å; A567-K618 HydrophobicContact CB-CB 4.28Å; A567-K618 HydrophobicContact CB-CD 4.27Å; A567-I619 HydrophobicContact CB-CD1 3.86Å; A567-I619 HydrophobicContact CB-CG1 4.11Å
568	I	88.9	Confident	79.7	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-72.5	-39.3	175.5	-70.6	171.2	0	0	0	111.5	I564 E565 D566 D570 H571 V574 V579 A593 I595 L611 V615 P625	I564-I568 HydrophobicContact CG2-CD1 3.8Å; I564-I568 HydrophobicContact CG2-CG1 4.38Å; I564-I568 WeakPolarHBondContact O-CG1 3.46Å; I564-I568 PolarHBondContact O-N 3.43Å; E565-I568 PolarHBondContact O-N 3.05Å; D566-I568 VanDerWaalsContact C-N 3.26Å; D566-I568 PolarHBondContact O-N 3.03Å; I568-D570 PolarHBondContact O-N 3.35Å; I568-H571 WeakPolarHBondContact O-CB 3.42Å; I568-H571 PolarHBondContact O-N 3.48Å; I568-H571 VanDerWaalsContact O-N 3.1Å; I568-V574 HydrophobicContact CG2-CB 4.49Å; I568-V574 HydrophobicContact CG2-CG1 3.78Å; I568-V579 HydrophobicContact CD1-CG2 4.16Å; I568-A593 HydrophobicContact CD1-CB 3.87Å; I568-I595 HydrophobicContact CG2-CG2 3.9Å; I568-L611 HydrophobicContact CB-CD2 4.29Å; I568-L611 HydrophobicContact CG1-CD2 4.42Å; I568-L611 HydrophobicContact CG2-CD1 4.28Å; I568-L611 HydrophobicContact CG2-CD2 3.86Å; I568-V615 HydrophobicContact CD1-CG2 4.48Å; I568-V615 HydrophobicContact CG1-CG2 3.82Å; I568-P625 HydrophobicContact CD1-CG 4.39Å
569	A	81	Confident	81.4	Confident	17 Å²	17	24.2 Å²	24.2	14%	0.14	14%	0.141	C	C	.	.	H	α-helix	trans	-66	-23.1	-176.4	0	0	0	0	0	113.1	E565 D566 H571	E565-A569 VanDerWaalsContact O-CB 3.29Å; E565-A569 WeakPolarHBondContact O-CB 3.48Å; E565-A569 PolarHBondContact O-N 3.46Å; D566-A569 PolarHBondContact O-N 3.44Å; A569-H571 PolarHBondContact O-N 3.46Å
570	D	80.6	Confident	82.7	Confident	94 Å²	94	24 Å²	24	50%	0.503	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-10.5	174.1	-75.8	-21.8	0	0	0	113.7	D566 I568 M614 K618	D566-D570 PolarHBondContact O-N 3.39Å; I568-D570 PolarHBondContact O-N 3.35Å; D570-M614 HydrophobicContact CB-SD 4.03Å; D570-K618 IonicContact OD2-NZ 2.64Å; D570-K618 PolarHBondContact OD2-NZ 2.93Å
571	H	86.8	Confident	83.7	Confident	19 Å²	19	23.8 Å²	23.8	9%	0.088	14%	0.138	C	C	.	.	S	Bend	trans	-78.9	121.2	174.6	-167.4	-80.8	0	0	0	110.9	I568 A569 A573 V574 E610 L611 M614	I568-H571 WeakPolarHBondContact O-CB 3.42Å; I568-H571 PolarHBondContact O-N 3.48Å; I568-H571 VanDerWaalsContact O-N 3.1Å; A569-H571 PolarHBondContact O-N 3.46Å; H571-A573 WeakPolarHBondContact ND1-CB 3.44Å; H571-A573 PolarHBondContact ND1-N 2.98Å; H571-A573 PolarHBondContact O-N 2.82Å; H571-V574 HydrophobicContact CB-CB 4.4Å; H571-V574 HydrophobicContact CB-CG2 4.19Å; H571-V574 PolarHBondContact O-N 3.37Å; H571-E610 IonicContact CE1-OE2 2.95Å; H571-E610 IonicContact NE2-OE2 3.76Å; H571-E610 PolarHBondContact NE2-OE2 3.43Å; H571-L611 HydrophobicContact CB-CD2 3.43Å; H571-L611 VanDerWaalsContact CB-CD2 3.43Å; H571-M614 HydrophobicContact CB-CE 4.05Å; H571-M614 HydrophobicContact CB-SD 4.42Å
572	P	85.1	Confident	83.8	Confident	103 Å²	103	25.3 Å²	25.3	67%	0.669	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-19.7	-170.2	22.7	-32.3	0	0	0	114.3	K598	P572-K598 VanDerWaalsContact O-CE 3.3Å; P572-K598 WeakPolarHBondContact O-CE 3.34Å; P572-K598 PolarHBondContact O-NZ 3.4Å
573	A	88.8	Confident	84	Confident	14 Å²	14	29.3 Å²	29.3	12%	0.116	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-12.9	174.8	0	0	0	0	0	114.3	H571 P575 V597 K598 A601 V607	H571-A573 WeakPolarHBondContact ND1-CB 3.44Å; H571-A573 PolarHBondContact ND1-N 2.98Å; H571-A573 PolarHBondContact O-N 2.82Å; A573-P575 WeakPolarHBondContact O-CD 3.25Å; A573-V597 HydrophobicContact CB-CG1 4.44Å; A573-V597 WeakPolarHBondContact O-CA 3.21Å; A573-K598 PolarHBondContact O-N 3.08Å; A573-A601 HydrophobicContact CB-CB 3.84Å; A573-V607 HydrophobicContact CB-CG1 4.28Å; A573-V607 HydrophobicContact CB-CG2 4.2Å
574	V	88.4	Confident	84.5	Confident	4 Å²	4	28.1 Å²	28.1	2%	0.024	16%	0.163	C	C	.	.			trans	-114.3	90.3	-169.7	-175.7	0	0	0	0	111.3	I568 H571 E576 I595 V607 L611	I568-V574 HydrophobicContact CG2-CB 4.49Å; I568-V574 HydrophobicContact CG2-CG1 3.78Å; H571-V574 HydrophobicContact CB-CB 4.4Å; H571-V574 HydrophobicContact CB-CG2 4.19Å; H571-V574 PolarHBondContact O-N 3.37Å; V574-E576 VanDerWaalsContact C-N 3.3Å; V574-E576 WeakPolarHBondContact CG1-O 3.41Å; V574-E576 PolarHBondContact O-N 2.78Å; V574-I595 HydrophobicContact CG1-CB 4Å; V574-I595 HydrophobicContact CG1-CG2 4.12Å; V574-V607 HydrophobicContact CG2-CG1 3.92Å; V574-L611 HydrophobicContact CG2-CD1 3.89Å; V574-L611 HydrophobicContact CG2-CD2 4.08Å; V574-L611 HydrophobicContact CG2-CG 4.38Å
575	P	82.3	Confident	83.7	Confident	27 Å²	27	36.4 Å²	36.4	18%	0.175	21%	0.207	C	C	.	.	S	Bend	trans	-70.3	-23	179.4	23.7	-37.4	0	0	0	114.5	K395 A573 V596 K598	K395-P575 HydrophobicContact CD-CB 4.33Å; A573-P575 WeakPolarHBondContact O-CD 3.25Å; P575-V596 WeakPolarHBondContact CD-O 3.21Å; P575-V596 HydrophobicContact CG-CB 4.5Å; P575-V596 HydrophobicContact CG-CG1 4.3Å; P575-K598 HydrophobicContact CG-CG 4.13Å
576	E	87.9	Confident	82.6	Confident	27 Å²	27	42.6 Å²	42.6	13%	0.126	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	141.3	-178.4	-58.6	-177.6	-158.2	0	0	111.1	K395 V574 V596 L634 K636	K395-E576 IonicContact NZ-OE1 3.76Å; K395-E576 PolarHBondContact NZ-OE1 2.64Å; V574-E576 VanDerWaalsContact C-N 3.3Å; V574-E576 WeakPolarHBondContact CG1-O 3.41Å; V574-E576 PolarHBondContact O-N 2.78Å; E576-V596 HydrophobicContact CB-CB 4.13Å; E576-V596 HydrophobicContact CB-CG2 4.1Å; E576-V596 PolarHBondContact O-N 3.45Å; E576-L634 HydrophobicContact CB-CD1 3.95Å; E576-K636 IonicContact OE1-NZ 3.17Å; E576-K636 PolarHBondContact OE1-NZ 3.04Å; E576-K636 WeakPolarHBondContact OE2-CE 3.28Å; E576-K636 IonicContact OE2-NZ 3.63Å; E576-K636 PolarHBondContact OE2-NZ 3.06Å
577	S	91.4	Very high	82	Confident	17 Å²	17	42.1 Å²	42.1	12%	0.119	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	154.2	174.4	60	0	0	0	0	110.1	E565 F594	E565-S577 PolarHBondContact O-OG 3.05Å; S577-F594 CarbonylContact C-O 3.29Å; S577-F594 VanDerWaalsContact CA-O 3.27Å; S577-F594 WeakPolarHBondContact CA-O 3.47Å
578	A	91.2	Very high	81.5	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	131.5	165.7	0	0	0	0	0	109	E565 A593 F594 L634 V642 L647	E565-A578 WeakPolarHBondContact OE1-CA 3.32Å; A578-A593 CarbonylContact O-C 3.49Å; A578-F594 PolarHBondContact N-O 2.85Å; A578-F594 PolarHBondContact O-N 3.28Å; A578-L634 HydrophobicContact CB-CD1 3.92Å; A578-L634 HydrophobicContact CB-CD2 3.88Å; A578-V642 HydrophobicContact CB-CG1 3.84Å; A578-L647 HydrophobicContact CB-CD1 3.75Å
579	V	90.6	Very high	81	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	142	-179.3	-178.6	0	0	0	0	109	I552 T561 I564 E565 I568 A591 F592 A593	I552-V579 HydrophobicContact CD1-CG1 3.9Å; T561-V579 HydrophobicContact CG2-CB 4.13Å; T561-V579 HydrophobicContact CG2-CG1 4.11Å; T561-V579 WeakPolarHBondContact CG2-O 3.28Å; I564-V579 HydrophobicContact CB-CG1 4.27Å; I564-V579 HydrophobicContact CB-CG2 4.04Å; I564-V579 HydrophobicContact CD1-CG1 3.89Å; I564-V579 HydrophobicContact CG2-CG1 4.3Å; I564-V579 HydrophobicContact CG2-CG2 3.75Å; E565-V579 HydrophobicContact CG-CB 3.9Å; E565-V579 HydrophobicContact CG-CG2 3.57Å; E565-V579 PolarHBondContact OE1-N 3.35Å; I568-V579 HydrophobicContact CD1-CG2 4.16Å; V579-A591 HydrophobicContact CG1-CB 4.09Å; V579-F592 WeakPolarHBondContact CA-O 3.32Å; V579-A593 HydrophobicContact CG2-CB 4Å
580	I	90.9	Very high	81.1	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	155.2	173.4	61.5	166.1	0	0	0	110.1	I552 F592 F594 R644 L647 R648 I651	I552-I580 VanDerWaalsContact CD1-C 3.44Å; I552-I580 WeakPolarHBondContact CD1-O 3.34Å; I580-F592 HydrophobicContact CD1-CB 4.38Å; I580-F592 HydrophobicContact CG1-CB 3.86Å; I580-F592 PolarHBondContact N-O 3.19Å; I580-F592 PolarHBondContact O-N 3.13Å; I580-F594 HydrophobicContact CD1-CE2 3.87Å; I580-F594 HydrophobicContact CD1-CZ 4.43Å; I580-F594 HydrophobicContact CG1-CE2 4.03Å; I580-R644 HydrophobicContact CG2-CB 4.04Å; I580-R644 HydrophobicContact CG2-CG 4.33Å; I580-L647 HydrophobicContact CD1-CB 4.39Å; I580-L647 HydrophobicContact CG2-CB 4.07Å; I580-R648 HydrophobicContact CD1-CB 4.17Å; I580-R648 HydrophobicContact CD1-CG 4.46Å; I580-I651 HydrophobicContact CD1-CB 4.21Å; I580-I651 HydrophobicContact CD1-CG1 3.9Å
581	G	86.1	Confident	81.6	Confident	0 Å²	0	42 Å²	42	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	142.9	163.6	0	0	0	0	0	111	A590 R648	G581-A590 WeakPolarHBondContact CA-O 3.46Å; G581-R648 PolarHBondContact O-NH1 2.93Å
582	Y	84	Confident	81.9	Confident	36 Å²	36	41.1 Å²	41.1	14%	0.141	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	152.9	168.4	74	-78.1	0	0	0	110.9	H584 E589 A590 F592 D626 I651	Y582-H584 PolarHBondContact O-N 3.43Å; Y582-E589 CarbonylContact O-C 2.83Å; Y582-E589 VanDerWaalsContact O-CA 3.31Å; Y582-E589 WeakPolarHBondContact O-CA 3.49Å; Y582-A590 HydrophobicContact CD1-CB 4.18Å; Y582-A590 WeakPolarHBondContact CD1-O 3.42Å; Y582-A590 HydrophobicContact CE1-CB 3.53Å; Y582-A590 HydrophobicContact CE2-CB 4.42Å; Y582-A590 PolarHBondContact N-O 2.77Å; Y582-A590 PolarHBondContact O-N 3.12Å; Y582-F592 HydrophobicContact CD1-CB 3.65Å; Y582-F592 HydrophobicContact CD1-CD2 4.37Å; Y582-F592 HydrophobicContact CE1-CB 3.87Å; Y582-F592 HydrophobicContact CE1-CD2 4.2Å; Y582-D626 WeakPolarHBondContact OH-CB 3.06Å; Y582-I651 HydrophobicContact CG-CG2 4.36Å
583	P	75.6	Confident	82.3	Confident	95 Å²	95	36.2 Å²	36.2	62%	0.617	21%	0.205	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-59.1	136.3	179.6	-23.6	34.1	0	0	0	112.1
584	H	79.6	Confident	82.7	Confident	48 Å²	48	35.5 Å²	35.5	22%	0.222	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	123.4	178.1	-175.9	-53.6	0	0	0	110.3	Y582 I586 K587 G588 A590 D626	Y582-H584 PolarHBondContact O-N 3.43Å; H584-I586 VanDerWaalsContact C-N 3.26Å; H584-I586 PolarHBondContact ND1-N 2.83Å; H584-I586 VanDerWaalsContact ND1-N 3.1Å; H584-I586 PolarHBondContact O-N 3.38Å; H584-K587 HydrophobicContact CB-CB 4.3Å; H584-K587 PolarHBondContact ND1-N 2.8Å; H584-K587 PolarHBondContact O-N 2.92Å; H584-G588 PolarHBondContact N-O 2.95Å; H584-G588 CarbonylContact O-C 3.21Å; H584-G588 WeakPolarHBondContact O-CA 3.05Å; H584-G588 PolarHBondContact O-N 2.9Å; H584-A590 HydrophobicContact CB-CB 3.78Å; H584-D626 IonicContact CD2-OD2 2.64Å; H584-D626 PolarHBondContact CD2-OD2 3.24Å; H584-D626 VanDerWaalsContact CD2-OD2 3.29Å; H584-D626 IonicContact NE2-OD2 2.75Å
585	D	61	Low	82.9	Confident	173 Å²	173	35.3 Å²	35.3	93%	0.925	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-35.4	-171	-61.1	-26.5	0	0	0	114.7
586	I	62.4	Low	83.4	Confident	151 Å²	151	34.7 Å²	34.7	77%	0.774	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-45.2	-179.9	-54.1	175.2	0	0	0	113.1	H584	H584-I586 VanDerWaalsContact C-N 3.26Å; H584-I586 PolarHBondContact ND1-N 2.83Å; H584-I586 VanDerWaalsContact ND1-N 3.1Å; H584-I586 PolarHBondContact O-N 3.38Å
587	K	62.6	Low	83.5	Confident	54 Å²	54	34.6 Å²	34.6	24%	0.235	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-6.6	-171.3	-59.8	177.1	-175.9	172.1	0	113.5	I554 S555 H584 E589 A590 D626	I554-K587 HydrophobicContact CG2-CB 4.24Å; I554-K587 HydrophobicContact CG2-CD 3.95Å; S555-K587 PolarHBondContact N-O 3.38Å; H584-K587 HydrophobicContact CB-CB 4.3Å; H584-K587 PolarHBondContact ND1-N 2.8Å; H584-K587 PolarHBondContact O-N 2.92Å; K587-E589 VanDerWaalsContact CB-O 3.25Å; K587-E589 WeakPolarHBondContact CB-O 3.48Å; K587-E589 PolarHBondContact O-N 2.95Å; K587-E589 VanDerWaalsContact O-N 3.1Å; K587-A590 HydrophobicContact CD-CB 4.42Å; K587-D626 IonicContact NZ-OD1 2.74Å; K587-D626 PolarHBondContact NZ-OD1 2.91Å; K587-D626 IonicContact NZ-OD2 3.69Å; K587-D626 PolarHBondContact NZ-OD2 3.05Å
588	G	67.3	Low	83.1	Confident	52 Å²	52	38 Å²	38	54%	0.536	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	80.2	-70.5	-165.2	0	0	0	0	0	109.9	H584	H584-G588 PolarHBondContact N-O 2.95Å; H584-G588 CarbonylContact O-C 3.21Å; H584-G588 WeakPolarHBondContact O-CA 3.05Å; H584-G588 PolarHBondContact O-N 2.9Å
589	E	77.3	Confident	82.5	Confident	60 Å²	60	46.5 Å²	46.5	28%	0.28	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	156.4	169.2	-52.9	-174.4	147.6	0	0	111.4	I552 N553 Y582 K587	I552-E589 WeakPolarHBondContact CA-OE2 3.42Å; I552-E589 HydrophobicContact CG2-CB 3.78Å; N553-E589 PolarHBondContact N-OE2 3.46Å; N553-E589 WeakPolarHBondContact O-CB 3.37Å; N553-E589 PolarHBondContact O-N 3.47Å; Y582-E589 CarbonylContact O-C 2.83Å; Y582-E589 VanDerWaalsContact O-CA 3.31Å; Y582-E589 WeakPolarHBondContact O-CA 3.49Å; K587-E589 VanDerWaalsContact CB-O 3.25Å; K587-E589 WeakPolarHBondContact CB-O 3.48Å; K587-E589 PolarHBondContact O-N 2.95Å; K587-E589 VanDerWaalsContact O-N 3.1Å
590	A	84.3	Confident	81.6	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	157.5	170	0	0	0	0	0	110.5	G581 Y582 H584 K587 D626	G581-A590 WeakPolarHBondContact CA-O 3.46Å; Y582-A590 HydrophobicContact CD1-CB 4.18Å; Y582-A590 WeakPolarHBondContact CD1-O 3.42Å; Y582-A590 HydrophobicContact CE1-CB 3.53Å; Y582-A590 HydrophobicContact CE2-CB 4.42Å; Y582-A590 PolarHBondContact N-O 2.77Å; Y582-A590 PolarHBondContact O-N 3.12Å; H584-A590 HydrophobicContact CB-CB 3.78Å; K587-A590 HydrophobicContact CD-CB 4.42Å; A590-D626 HydrophobicContact CB-CB 4.47Å; A590-D626 VanDerWaalsContact CB-OD2 3.23Å; A590-D626 WeakPolarHBondContact CB-OD2 3.43Å
591	A	89.5	Confident	80.5	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.008	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	134.6	174.2	0	0	0	0	0	111	I552 I554 I564 V579 P625 D626	I552-A591 HydrophobicContact CD1-CB 3.96Å; I554-A591 HydrophobicContact CD1-CB 3.94Å; I564-A591 HydrophobicContact CD1-CB 3.74Å; V579-A591 HydrophobicContact CG1-CB 4.09Å; A591-P625 HydrophobicContact CB-CB 4.32Å; A591-P625 HydrophobicContact CB-CG 4.42Å; A591-P625 CarbonylContact O-C 3.58Å; A591-P625 VanDerWaalsContact O-CA 3.28Å; A591-P625 WeakPolarHBondContact O-CA 3.35Å; A591-D626 PolarHBondContact O-N 3.32Å
592	F	93.7	Very high	79.7	Confident	1 Å²	1	56 Å²	56	0%	0.004	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	124.8	169.5	-165	-70.5	0	0	0	108.4	V579 I580 Y582 F594 E627 L629 I651 Y677	V579-F592 WeakPolarHBondContact CA-O 3.32Å; I580-F592 HydrophobicContact CD1-CB 4.38Å; I580-F592 HydrophobicContact CG1-CB 3.86Å; I580-F592 PolarHBondContact N-O 3.19Å; I580-F592 PolarHBondContact O-N 3.13Å; Y582-F592 HydrophobicContact CD1-CB 3.65Å; Y582-F592 HydrophobicContact CD1-CD2 4.37Å; Y582-F592 HydrophobicContact CE1-CB 3.87Å; Y582-F592 HydrophobicContact CE1-CD2 4.2Å; F592-F594 AromaticContact CD1-CD2 3.97Å; F592-F594 HydrophobicContact CD1-CD2 3.97Å; F592-F594 HydrophobicContact CD1-CE1 4.37Å; F592-F594 AromaticContact CD1-CE2 3.54Å; F592-F594 HydrophobicContact CD1-CE2 3.54Å; F592-F594 AromaticContact CD1-CZ 3.79Å; F592-F594 HydrophobicContact CD1-CZ 3.79Å; F592-F594 HydrophobicContact CE1-CD1 4.26Å; F592-F594 HydrophobicContact CE1-CD2 4.3Å; F592-F594 AromaticContact CE1-CE1 3.87Å; F592-F594 HydrophobicContact CE1-CE1 3.87Å; F592-F594 AromaticContact CE1-CE2 3.89Å; F592-F594 HydrophobicContact CE1-CE2 3.89Å; F592-F594 HydrophobicContact CE1-CG 4.48Å; F592-F594 AromaticContact CE1-CZ 3.68Å; F592-F594 HydrophobicContact CE1-CZ 3.68Å; F592-E627 HydrophobicContact CD2-CB 3.57Å; F592-E627 HydrophobicContact CD2-CG 4.42Å; F592-E627 HydrophobicContact CE2-CB 3.37Å; F592-E627 HydrophobicContact CE2-CG 4.14Å; F592-E627 HydrophobicContact CG-CB 4.31Å; F592-E627 HydrophobicContact CZ-CB 3.99Å; F592-L629 HydrophobicContact CE1-CB 3.61Å; F592-L629 HydrophobicContact CE1-CD2 4.5Å; F592-L629 HydrophobicContact CZ-CB 3.87Å; F592-I651 HydrophobicContact CD1-CD1 4.25Å; F592-I651 HydrophobicContact CD1-CG1 4.27Å; F592-I651 HydrophobicContact CD2-CD1 4.2Å; F592-I651 HydrophobicContact CD2-CG1 4.29Å; F592-I651 HydrophobicContact CD2-CG2 3.96Å; F592-I651 HydrophobicContact CE1-CD1 3.74Å; F592-I651 HydrophobicContact CE1-CG1 4.27Å; F592-I651 HydrophobicContact CE2-CD1 3.71Å; F592-I651 HydrophobicContact CE2-CG1 4.3Å; F592-I651 HydrophobicContact CE2-CG2 4.23Å; F592-I651 HydrophobicContact CG-CD1 4.47Å; F592-I651 HydrophobicContact CG-CG1 4.31Å; F592-I651 HydrophobicContact CZ-CD1 3.46Å; F592-I651 VanDerWaalsContact CZ-CD1 3.46Å; F592-I651 HydrophobicContact CZ-CG1 4.29Å; F592-Y677 AromaticContact CE2-CE2 3.92Å; F592-Y677 HydrophobicContact CE2-CE2 3.92Å; F592-Y677 HydrophobicContact CZ-CD2 4.1Å; F592-Y677 AromaticContact CZ-CE2 3.91Å; F592-Y677 HydrophobicContact CZ-CE2 3.91Å
593	A	94.5	Very high	79.7	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	137.5	178.9	0	0	0	0	0	111.4	I568 A578 V579 P625 E627 I628 L629	I568-A593 HydrophobicContact CD1-CB 3.87Å; A578-A593 CarbonylContact O-C 3.49Å; V579-A593 HydrophobicContact CG2-CB 4Å; A593-P625 HydrophobicContact CB-CB 3.93Å; A593-P625 HydrophobicContact CB-CG 3.85Å; A593-E627 PolarHBondContact N-O 3.22Å; A593-I628 HydrophobicContact CB-CG1 4.19Å; A593-I628 HydrophobicContact CB-CG2 4.36Å; A593-I628 CarbonylContact O-C 3.54Å; A593-I628 VanDerWaalsContact O-CA 3.31Å; A593-I628 WeakPolarHBondContact O-CA 3.44Å; A593-L629 PolarHBondContact O-N 3.36Å
594	F	95.3	Very high	80.1	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	127.7	165.9	-61.4	-97.3	0	0	0	107.6	S577 A578 I580 F592 L629 V631 L634 L647 I651 I673	S577-F594 CarbonylContact C-O 3.29Å; S577-F594 VanDerWaalsContact CA-O 3.27Å; S577-F594 WeakPolarHBondContact CA-O 3.47Å; A578-F594 PolarHBondContact N-O 2.85Å; A578-F594 PolarHBondContact O-N 3.28Å; I580-F594 HydrophobicContact CD1-CE2 3.87Å; I580-F594 HydrophobicContact CD1-CZ 4.43Å; I580-F594 HydrophobicContact CG1-CE2 4.03Å; F592-F594 AromaticContact CD1-CD2 3.97Å; F592-F594 HydrophobicContact CD1-CD2 3.97Å; F592-F594 HydrophobicContact CD1-CE1 4.37Å; F592-F594 AromaticContact CD1-CE2 3.54Å; F592-F594 HydrophobicContact CD1-CE2 3.54Å; F592-F594 AromaticContact CD1-CZ 3.79Å; F592-F594 HydrophobicContact CD1-CZ 3.79Å; F592-F594 HydrophobicContact CE1-CD1 4.26Å; F592-F594 HydrophobicContact CE1-CD2 4.3Å; F592-F594 AromaticContact CE1-CE1 3.87Å; F592-F594 HydrophobicContact CE1-CE1 3.87Å; F592-F594 AromaticContact CE1-CE2 3.89Å; F592-F594 HydrophobicContact CE1-CE2 3.89Å; F592-F594 HydrophobicContact CE1-CG 4.48Å; F592-F594 AromaticContact CE1-CZ 3.68Å; F592-F594 HydrophobicContact CE1-CZ 3.68Å; F594-L629 WeakPolarHBondContact CA-O 3.45Å; F594-L629 HydrophobicContact CD1-CB 4.21Å; F594-L629 HydrophobicContact CD1-CD2 3.93Å; F594-L629 HydrophobicContact CE1-CD2 3.75Å; F594-V631 HydrophobicContact CB-CG2 4.34Å; F594-V631 HydrophobicContact CD1-CG1 4.06Å; F594-L634 HydrophobicContact CB-CD2 3.66Å; F594-L647 HydrophobicContact CD1-CD2 4.01Å; F594-L647 HydrophobicContact CD2-CB 4.29Å; F594-L647 HydrophobicContact CD2-CD1 3.83Å; F594-L647 HydrophobicContact CD2-CD2 4.14Å; F594-L647 HydrophobicContact CD2-CG 4.31Å; F594-L647 HydrophobicContact CE1-CD2 3.86Å; F594-L647 HydrophobicContact CE2-CB 3.68Å; F594-L647 HydrophobicContact CE2-CD1 4.1Å; F594-L647 HydrophobicContact CE2-CD2 4.02Å; F594-L647 HydrophobicContact CE2-CG 4.14Å; F594-L647 HydrophobicContact CG-CD1 4.29Å; F594-L647 HydrophobicContact CG-CD2 4.13Å; F594-L647 HydrophobicContact CZ-CB 3.93Å; F594-L647 HydrophobicContact CZ-CD2 3.85Å; F594-L647 HydrophobicContact CZ-CG 4.37Å; F594-I651 HydrophobicContact CE1-CD1 4.23Å; F594-I651 HydrophobicContact CE2-CG1 4.3Å; F594-I651 HydrophobicContact CZ-CD1 3.74Å; F594-I651 HydrophobicContact CZ-CG1 3.61Å; F594-I673 HydrophobicContact CD1-CG2 4.35Å; F594-I673 HydrophobicContact CE1-CG2 3.89Å
595	I	94.4	Very high	80.4	Confident	0 Å²	0	59 Å²	59	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	141.7	179.7	63.9	172.3	0	0	0	111.2	I568 V574 V597 V608 L611 I628 L629 V630 V631	I568-I595 HydrophobicContact CG2-CG2 3.9Å; V574-I595 HydrophobicContact CG1-CB 4Å; V574-I595 HydrophobicContact CG1-CG2 4.12Å; I595-V597 HydrophobicContact CD1-CG2 3.84Å; I595-V597 HydrophobicContact CG1-CG2 4.12Å; I595-V608 HydrophobicContact CD1-CG2 4.16Å; I595-L611 HydrophobicContact CD1-CD1 3.48Å; I595-L611 VanDerWaalsContact CD1-CD1 3.48Å; I595-L611 HydrophobicContact CG2-CD1 4.16Å; I595-I628 HydrophobicContact CB-CG2 4.49Å; I595-I628 HydrophobicContact CD1-CG2 3.62Å; I595-I628 HydrophobicContact CG1-CG2 3.8Å; I595-I628 HydrophobicContact CG2-CG2 3.93Å; I595-L629 PolarHBondContact N-O 3.29Å; I595-V630 HydrophobicContact CD1-CG2 3.96Å; I595-V630 HydrophobicContact CG1-CB 4.46Å; I595-V630 HydrophobicContact CG1-CG2 3.93Å; I595-V630 WeakPolarHBondContact O-CA 3.28Å; I595-V631 PolarHBondContact O-N 3.01Å
596	V	91.4	Very high	81.7	Confident	13 Å²	13	54.3 Å²	54.3	8%	0.079	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	128.6	165.5	-177.5	0	0	0	0	107.1	P575 E576 V631 K632 L634	P575-V596 WeakPolarHBondContact CD-O 3.21Å; P575-V596 HydrophobicContact CG-CB 4.5Å; P575-V596 HydrophobicContact CG-CG1 4.3Å; E576-V596 HydrophobicContact CB-CB 4.13Å; E576-V596 HydrophobicContact CB-CG2 4.1Å; E576-V596 PolarHBondContact O-N 3.45Å; V596-V631 HydrophobicContact CG2-CG2 4.19Å; V596-K632 WeakPolarHBondContact CG1-O 3.1Å; V596-L634 HydrophobicContact CG2-CG 4.15Å
597	V	89.6	Confident	83	Confident	25 Å²	25	47.5 Å²	47.5	15%	0.152	29%	0.293	C	S	.	.			trans	-109.5	143.1	-178.1	-177.7	0	0	0	0	109.1	A573 I595 A601 V630	A573-V597 HydrophobicContact CB-CG1 4.44Å; A573-V597 WeakPolarHBondContact O-CA 3.21Å; I595-V597 HydrophobicContact CD1-CG2 3.84Å; I595-V597 HydrophobicContact CG1-CG2 4.12Å; V597-A601 HydrophobicContact CG1-CB 3.25Å; V597-V630 HydrophobicContact CB-CG1 4.49Å; V597-V630 HydrophobicContact CG2-CG1 3.97Å; V597-V630 HydrophobicContact CG2-CG2 4.45Å
598	K	84.8	Confident	84.4	Confident	90 Å²	90	45.7 Å²	45.7	39%	0.391	29%	0.286	S	S	.	.			trans	-63.6	144.2	175.5	-67	176	-180	165.2	0	110.6	P572 A573 P575 S600 A601	P572-K598 VanDerWaalsContact O-CE 3.3Å; P572-K598 WeakPolarHBondContact O-CE 3.34Å; P572-K598 PolarHBondContact O-NZ 3.4Å; A573-K598 PolarHBondContact O-N 3.08Å; P575-K598 HydrophobicContact CG-CG 4.13Å; K598-S600 PolarHBondContact O-N 3.19Å; K598-S600 VanDerWaalsContact O-N 3.09Å; K598-A601 WeakPolarHBondContact O-CB 3.32Å; K598-A601 PolarHBondContact O-N 2.75Å
599	D	76.8	Confident	85.6	Confident	177 Å²	177	48.8 Å²	48.8	95%	0.947	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-23.6	175.4	-63.8	-35	0	0	0	113.1	A601	D599-A601 VanDerWaalsContact C-N 3.35Å
600	S	73.2	Confident	86.2	Confident	108 Å²	108	50.3 Å²	50.3	76%	0.755	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-3.8	176.5	65.7	0	0	0	0	114	K598	K598-S600 PolarHBondContact O-N 3.19Å; K598-S600 VanDerWaalsContact O-N 3.09Å
601	A	66.3	Low	86.6	Confident	26 Å²	26	50.3 Å²	50.3	22%	0.215	29%	0.294	C	S	.	.			trans	-71.8	148.4	176.4	0	0	0	0	0	109.7	A573 V597 K598 D599	A573-A601 HydrophobicContact CB-CB 3.84Å; V597-A601 HydrophobicContact CG1-CB 3.25Å; K598-A601 WeakPolarHBondContact O-CB 3.32Å; K598-A601 PolarHBondContact O-N 2.75Å; D599-A601 VanDerWaalsContact C-N 3.35Å
602	G	69.5	Low	86.6	Confident	65 Å²	65	52.9 Å²	52.9	67%	0.67	31%	0.305	S	S	*	.			trans	-69.4	-147.9	174.6	0	0	0	0	0	112.5	S604	G602-S604 PolarHBondContact O-N 3.29Å
603	D	84.9	Confident	86.2	Confident	98 Å²	98	56.3 Å²	56.3	52%	0.524	33%	0.329	S	S	.	.			trans	-56.9	122.1	179.3	-170.3	-21.1	0	0	0	111.8	D605 V606 V607	D603-D605 PolarHBondContact O-N 3.3Å; D603-D605 PolarHBondContact OD1-N 3.22Å; D603-V606 HydrophobicContact CB-CB 4.32Å; D603-V606 HydrophobicContact CB-CG2 3.88Å; D603-V606 WeakPolarHBondContact O-CB 3.21Å; D603-V606 PolarHBondContact O-N 3.17Å; D603-V606 VanDerWaalsContact O-N 3.14Å; D603-V607 PolarHBondContact O-N 3.46Å
604	S	83.8	Confident	85.7	Confident	46 Å²	46	58.3 Å²	58.3	32%	0.322	34%	0.339	S	S	.	.	H	α-helix	trans	-62.1	-29.2	-178.9	56.8	0	0	0	0	112.9	G602 V606 V607 V608	G602-S604 PolarHBondContact O-N 3.29Å; S604-V606 VanDerWaalsContact C-N 3.32Å; S604-V607 PolarHBondContact O-N 3.06Å; S604-V608 WeakPolarHBondContact O-CG2 3.33Å; S604-V608 PolarHBondContact O-N 3.23Å
605	D	85.4	Confident	84.9	Confident	99 Å²	99	58.3 Å²	58.3	53%	0.529	34%	0.339	S	S	.	.	H	α-helix	trans	-70.8	-33.7	179	-68.5	-17.9	0	0	0	110.8	D603 V608 Q609	D603-D605 PolarHBondContact O-N 3.3Å; D603-D605 PolarHBondContact OD1-N 3.22Å; D605-V608 PolarHBondContact O-N 2.9Å; D605-Q609 WeakPolarHBondContact O-CG 3.31Å; D605-Q609 PolarHBondContact O-N 3.49Å
606	V	88.6	Confident	83.9	Confident	75 Å²	75	59.8 Å²	59.8	46%	0.455	35%	0.351	S	S	.	.	H	α-helix	trans	-64.9	-47.6	172.6	176.1	0	0	0	0	110.2	D603 S604 V608 Q609 E610	D603-V606 HydrophobicContact CB-CB 4.32Å; D603-V606 HydrophobicContact CB-CG2 3.88Å; D603-V606 WeakPolarHBondContact O-CB 3.21Å; D603-V606 PolarHBondContact O-N 3.17Å; D603-V606 VanDerWaalsContact O-N 3.14Å; S604-V606 VanDerWaalsContact C-N 3.32Å; V606-V608 VanDerWaalsContact C-N 3.27Å; V606-V608 PolarHBondContact O-N 2.96Å; V606-Q609 PolarHBondContact O-N 3.35Å; V606-E610 HydrophobicContact CG1-CG 4.42Å; V606-E610 WeakPolarHBondContact O-CG 3.26Å; V606-E610 PolarHBondContact O-N 3.45Å
607	V	90.4	Very high	82.9	Confident	7 Å²	7	65.1 Å²	65.1	4%	0.042	38%	0.383	C	S	.	.	H	α-helix	trans	-57.3	-42.5	176.9	176.8	0	0	0	0	110.8	A573 V574 D603 S604 Q609 E610 L611	A573-V607 HydrophobicContact CB-CG1 4.28Å; A573-V607 HydrophobicContact CB-CG2 4.2Å; V574-V607 HydrophobicContact CG2-CG1 3.92Å; D603-V607 PolarHBondContact O-N 3.46Å; S604-V607 PolarHBondContact O-N 3.06Å; V607-Q609 VanDerWaalsContact C-N 3.34Å; V607-Q609 PolarHBondContact O-N 3.47Å; V607-E610 PolarHBondContact O-N 3.28Å; V607-L611 HydrophobicContact CG1-CD1 4.11Å; V607-L611 HydrophobicContact CG1-CG 4.31Å; V607-L611 WeakPolarHBondContact O-CB 3.29Å; V607-L611 WeakPolarHBondContact O-CG 3.41Å; V607-L611 PolarHBondContact O-N 3.26Å
608	V	91.6	Very high	81.9	Confident	17 Å²	17	68.9 Å²	68.9	10%	0.103	40%	0.398	C	S	.	.	H	α-helix	trans	-60.3	-41	177.1	166.3	0	0	0	0	112.1	I595 S604 D605 V606 L611 K612 I628 V630	I595-V608 HydrophobicContact CD1-CG2 4.16Å; S604-V608 WeakPolarHBondContact O-CG2 3.33Å; S604-V608 PolarHBondContact O-N 3.23Å; D605-V608 PolarHBondContact O-N 2.9Å; V606-V608 VanDerWaalsContact C-N 3.27Å; V606-V608 PolarHBondContact O-N 2.96Å; V608-L611 PolarHBondContact O-N 3.15Å; V608-K612 WeakPolarHBondContact O-CG 3.42Å; V608-K612 PolarHBondContact O-N 3.46Å; V608-K612 VanDerWaalsContact O-N 3.08Å; V608-I628 HydrophobicContact CG1-CB 3.99Å; V608-I628 HydrophobicContact CG1-CD1 4.26Å; V608-I628 HydrophobicContact CG1-CG1 4.4Å; V608-I628 HydrophobicContact CG2-CB 4.23Å; V608-I628 HydrophobicContact CG2-CG2 3.97Å; V608-V630 HydrophobicContact CG2-CG2 4.17Å
609	Q	91.6	Very high	81.2	Confident	116 Å²	116	66.9 Å²	66.9	54%	0.542	39%	0.391	S	S	.	.	H	α-helix	trans	-69.3	-38.7	177.3	-64.9	-56.5	-35.3	0	0	112.7	D605 V606 V607 L611 K612 S613	D605-Q609 WeakPolarHBondContact O-CG 3.31Å; D605-Q609 PolarHBondContact O-N 3.49Å; V606-Q609 PolarHBondContact O-N 3.35Å; V607-Q609 VanDerWaalsContact C-N 3.34Å; V607-Q609 PolarHBondContact O-N 3.47Å; Q609-L611 VanDerWaalsContact C-N 3.35Å; Q609-K612 PolarHBondContact O-N 3.35Å; Q609-S613 PolarHBondContact O-N 3.18Å; Q609-S613 VanDerWaalsContact O-N 3.08Å; Q609-S613 PolarHBondContact O-OG 3.2Å
610	E	91.1	Very high	80.7	Confident	93 Å²	93	59.3 Å²	59.3	44%	0.435	35%	0.353	S	S	.	.	H	α-helix	trans	-61.2	-44.4	174.6	-70.4	173.6	154	0	0	110.9	H571 V606 V607 S613 M614	H571-E610 IonicContact CE1-OE2 2.95Å; H571-E610 IonicContact NE2-OE2 3.76Å; H571-E610 PolarHBondContact NE2-OE2 3.43Å; V606-E610 HydrophobicContact CG1-CG 4.42Å; V606-E610 WeakPolarHBondContact O-CG 3.26Å; V606-E610 PolarHBondContact O-N 3.45Å; V607-E610 PolarHBondContact O-N 3.28Å; E610-S613 WeakPolarHBondContact O-CB 3.46Å; E610-S613 PolarHBondContact O-N 3.16Å; E610-M614 WeakPolarHBondContact O-CB 3.4Å; E610-M614 PolarHBondContact O-N 2.89Å
611	L	91.9	Very high	80.7	Confident	0 Å²	0	63 Å²	63	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-62	-45.6	176.3	-70.9	174.4	0	0	0	112.9	I568 H571 V574 I595 V607 V608 Q609 S613 M614 V615 I628	I568-L611 HydrophobicContact CB-CD2 4.29Å; I568-L611 HydrophobicContact CG1-CD2 4.42Å; I568-L611 HydrophobicContact CG2-CD1 4.28Å; I568-L611 HydrophobicContact CG2-CD2 3.86Å; H571-L611 HydrophobicContact CB-CD2 3.43Å; H571-L611 VanDerWaalsContact CB-CD2 3.43Å; V574-L611 HydrophobicContact CG2-CD1 3.89Å; V574-L611 HydrophobicContact CG2-CD2 4.08Å; V574-L611 HydrophobicContact CG2-CG 4.38Å; I595-L611 HydrophobicContact CD1-CD1 3.48Å; I595-L611 VanDerWaalsContact CD1-CD1 3.48Å; I595-L611 HydrophobicContact CG2-CD1 4.16Å; V607-L611 HydrophobicContact CG1-CD1 4.11Å; V607-L611 HydrophobicContact CG1-CG 4.31Å; V607-L611 WeakPolarHBondContact O-CB 3.29Å; V607-L611 WeakPolarHBondContact O-CG 3.41Å; V607-L611 PolarHBondContact O-N 3.26Å; V608-L611 PolarHBondContact O-N 3.15Å; Q609-L611 VanDerWaalsContact C-N 3.35Å; L611-S613 VanDerWaalsContact C-N 3.25Å; L611-S613 PolarHBondContact O-N 3.44Å; L611-M614 PolarHBondContact O-N 2.91Å; L611-M614 VanDerWaalsContact O-N 3.15Å; L611-V615 WeakPolarHBondContact O-CG2 3.25Å; L611-V615 PolarHBondContact O-N 3.35Å; L611-I628 HydrophobicContact CB-CD1 4.11Å
612	K	90.6	Very high	80.9	Confident	55 Å²	55	66.2 Å²	66.2	24%	0.239	36%	0.363	C	S	.	.	H	α-helix	trans	-58.3	-42	176.7	-75.4	-173	172.5	-164	0	111.2	V608 Q609 A616 V624 P625 D626 I628	V608-K612 WeakPolarHBondContact O-CG 3.42Å; V608-K612 PolarHBondContact O-N 3.46Å; V608-K612 VanDerWaalsContact O-N 3.08Å; Q609-K612 PolarHBondContact O-N 3.35Å; K612-A616 WeakPolarHBondContact O-CB 3.36Å; K612-A616 PolarHBondContact O-N 2.89Å; K612-A616 VanDerWaalsContact O-N 3.12Å; K612-V624 HydrophobicContact CB-CG1 3.8Å; K612-V624 HydrophobicContact CD-CG1 4.24Å; K612-V624 HydrophobicContact CG-CG1 3.77Å; K612-P625 WeakPolarHBondContact CE-O 3.36Å; K612-D626 PolarHBondContact NZ-O 3.29Å; K612-I628 HydrophobicContact CG-CD1 3.79Å
613	S	84.8	Confident	81.1	Confident	72 Å²	72	63.1 Å²	63.1	50%	0.503	33%	0.331	S	S	.	.	H	α-helix	trans	-65.1	-42.8	176.1	-57.6	0	0	0	0	111.7	Q609 E610 L611 A616 T617	Q609-S613 PolarHBondContact O-N 3.18Å; Q609-S613 VanDerWaalsContact O-N 3.08Å; Q609-S613 PolarHBondContact O-OG 3.2Å; E610-S613 WeakPolarHBondContact O-CB 3.46Å; E610-S613 PolarHBondContact O-N 3.16Å; L611-S613 VanDerWaalsContact C-N 3.25Å; L611-S613 PolarHBondContact O-N 3.44Å; S613-A616 WeakPolarHBondContact O-CB 3.24Å; S613-A616 PolarHBondContact O-N 3.11Å; S613-T617 PolarHBondContact O-N 2.95Å; S613-T617 PolarHBondContact O-OG1 2.75Å; S613-T617 VanDerWaalsContact O-OG1 3.11Å
614	M	83.3	Confident	81.3	Confident	43 Å²	43	59.8 Å²	59.8	21%	0.212	31%	0.314	C	S	.	.	H	α-helix	trans	-63.2	-45.4	-180	-169.4	175.3	-59.1	0	0	112.5	D570 H571 E610 L611 A616 T617 K618	D570-M614 HydrophobicContact CB-SD 4.03Å; H571-M614 HydrophobicContact CB-CE 4.05Å; H571-M614 HydrophobicContact CB-SD 4.42Å; E610-M614 WeakPolarHBondContact O-CB 3.4Å; E610-M614 PolarHBondContact O-N 2.89Å; L611-M614 PolarHBondContact O-N 2.91Å; L611-M614 VanDerWaalsContact O-N 3.15Å; M614-A616 VanDerWaalsContact C-N 3.32Å; M614-A616 PolarHBondContact O-N 3.03Å; M614-T617 PolarHBondContact O-N 3.08Å; M614-K618 HydrophobicContact CG-CD 3.96Å; M614-K618 HydrophobicContact CG-CG 4.42Å; M614-K618 WeakPolarHBondContact O-CB 3.44Å; M614-K618 PolarHBondContact O-N 2.76Å
615	V	78.8	Confident	81.7	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-63.3	-41.2	176	176.2	0	0	0	0	110.8	I564 A567 I568 L611 T617 I619 A620 A623 V624	I564-V615 HydrophobicContact CG2-CG1 4.36Å; I564-V615 HydrophobicContact CG2-CG2 4.25Å; A567-V615 HydrophobicContact CB-CG2 4.18Å; I568-V615 HydrophobicContact CD1-CG2 4.48Å; I568-V615 HydrophobicContact CG1-CG2 3.82Å; L611-V615 WeakPolarHBondContact O-CG2 3.25Å; L611-V615 PolarHBondContact O-N 3.35Å; V615-T617 VanDerWaalsContact C-N 3.26Å; V615-T617 PolarHBondContact O-N 2.87Å; V615-I619 HydrophobicContact CG1-CD1 4.2Å; V615-I619 PolarHBondContact O-N 3.38Å; V615-A620 PolarHBondContact O-N 3.34Å; V615-A623 HydrophobicContact CG1-CB 4.06Å; V615-A623 WeakPolarHBondContact CG1-O 3.41Å; V615-V624 HydrophobicContact CB-CG2 4.49Å; V615-V624 HydrophobicContact CG1-CG2 4.37Å
616	A	74.3	Confident	81.8	Confident	30 Å²	30	55.1 Å²	55.1	25%	0.248	29%	0.285	C	S	.	.	H	α-helix	trans	-60.5	-36.7	177.6	0	0	0	0	0	112.7	K612 S613 M614 A620 K621 V624	K612-A616 WeakPolarHBondContact O-CB 3.36Å; K612-A616 PolarHBondContact O-N 2.89Å; K612-A616 VanDerWaalsContact O-N 3.12Å; S613-A616 WeakPolarHBondContact O-CB 3.24Å; S613-A616 PolarHBondContact O-N 3.11Å; M614-A616 VanDerWaalsContact C-N 3.32Å; M614-A616 PolarHBondContact O-N 3.03Å; A616-A620 CarbonylContact O-C 3.52Å; A616-A620 WeakPolarHBondContact O-CA 3.47Å; A616-K621 HydrophobicContact CB-CG 4.4Å; A616-V624 HydrophobicContact CB-CG2 3.6Å
617	T	69.7	Low	81.9	Confident	125 Å²	125	53.7 Å²	53.7	77%	0.767	27%	0.274	S	S	*	.	H	α-helix	trans	-81.1	-43	-179.6	-58.8	0	0	0	0	113	S613 M614 V615	S613-T617 PolarHBondContact O-N 2.95Å; S613-T617 PolarHBondContact O-OG1 2.75Å; S613-T617 VanDerWaalsContact O-OG1 3.11Å; M614-T617 PolarHBondContact O-N 3.08Å; V615-T617 VanDerWaalsContact C-N 3.26Å; V615-T617 PolarHBondContact O-N 2.87Å
618	K	69.6	Low	82.1	Confident	105 Å²	105	54.2 Å²	54.2	46%	0.457	28%	0.276	S	S	.	.	H	α-helix	trans	-80.9	-32.6	-174.9	-73.9	-174.4	176.5	172.3	0	113.9	A567 D570 M614	A567-K618 HydrophobicContact CB-CB 4.28Å; A567-K618 HydrophobicContact CB-CD 4.27Å; D570-K618 IonicContact OD2-NZ 2.64Å; D570-K618 PolarHBondContact OD2-NZ 2.93Å; M614-K618 HydrophobicContact CG-CD 3.96Å; M614-K618 HydrophobicContact CG-CG 4.42Å; M614-K618 WeakPolarHBondContact O-CB 3.44Å; M614-K618 PolarHBondContact O-N 2.76Å
619	I	69.5	Low	82.2	Confident	48 Å²	48	53.8 Å²	53.8	25%	0.246	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-80.3	-177.4	-51.1	-178.8	0	0	0	108.5	L559 E563 I564 A567 V615 A623	L559-I619 HydrophobicContact CD1-CG2 3.85Å; L559-I619 HydrophobicContact CD2-CG2 4.43Å; E563-I619 HydrophobicContact CB-CD1 4.29Å; E563-I619 VanDerWaalsContact O-CD1 3.29Å; E563-I619 WeakPolarHBondContact O-CD1 3.42Å; I564-I619 HydrophobicContact CB-CD1 4.41Å; I564-I619 HydrophobicContact CG1-CD1 4.09Å; A567-I619 HydrophobicContact CB-CD1 3.86Å; A567-I619 HydrophobicContact CB-CG1 4.11Å; V615-I619 HydrophobicContact CG1-CD1 4.2Å; V615-I619 PolarHBondContact O-N 3.38Å; I619-A623 HydrophobicContact CB-CB 3.88Å; I619-A623 HydrophobicContact CG2-CB 3.47Å; I619-A623 VanDerWaalsContact CG2-CB 3.47Å
620	A	65.4	Low	82.2	Confident	18 Å²	18	50.9 Å²	50.9	15%	0.149	26%	0.263	C	S	.	.			trans	-176	163.3	176.6	0	0	0	0	0	110.7	V615 A616 Y622 A623	V615-A620 PolarHBondContact O-N 3.34Å; A616-A620 CarbonylContact O-C 3.52Å; A616-A620 WeakPolarHBondContact O-CA 3.47Å; A620-Y622 VanDerWaalsContact C-N 3.25Å; A620-Y622 HydrophobicContact CB-CD1 3.49Å; A620-Y622 VanDerWaalsContact CB-CD1 3.49Å; A620-Y622 HydrophobicContact CB-CD2 4.4Å; A620-Y622 HydrophobicContact CB-CE1 3.16Å; A620-Y622 HydrophobicContact CB-CE2 4.11Å; A620-Y622 HydrophobicContact CB-CG 4.11Å; A620-Y622 VanDerWaalsContact CB-CZ 3.49Å; A620-Y622 PolarHBondContact O-N 2.83Å; A620-A623 WeakPolarHBondContact O-CB 3.47Å; A620-A623 PolarHBondContact O-N 3.45Å
621	K	73.1	Confident	82.2	Confident	184 Å²	184	46.9 Å²	46.9	80%	0.8	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-58.7	-32.7	175	-70.1	-173.7	178.5	-178.5	0	114	A616 A623 V624	A616-K621 HydrophobicContact CB-CG 4.4Å; K621-A623 VanDerWaalsContact C-N 3.29Å; K621-A623 PolarHBondContact O-N 3.08Å; K621-V624 WeakPolarHBondContact O-CG2 3.43Å
622	Y	70.5	Confident	82.1	Confident	95 Å²	95	55.5 Å²	55.5	37%	0.373	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-74.4	-20	178.8	62.8	-103.1	0	0	0	112.9	I554 H557 A620 V624	I554-Y622 WeakPolarHBondContact CG2-O 3.15Å; H557-Y622 HydrophobicContact CB-CD2 3.97Å; H557-Y622 HydrophobicContact CB-CE2 3.67Å; H557-Y622 AromaticContact CD2-CE1 3.94Å; H557-Y622 AromaticContact CD2-CZ 3.83Å; H557-Y622 AromaticContact CG-CE2 3.96Å; A620-Y622 VanDerWaalsContact C-N 3.25Å; A620-Y622 HydrophobicContact CB-CD1 3.49Å; A620-Y622 VanDerWaalsContact CB-CD1 3.49Å; A620-Y622 HydrophobicContact CB-CD2 4.4Å; A620-Y622 HydrophobicContact CB-CE1 3.16Å; A620-Y622 HydrophobicContact CB-CE2 4.11Å; A620-Y622 HydrophobicContact CB-CG 4.11Å; A620-Y622 VanDerWaalsContact CB-CZ 3.49Å; A620-Y622 PolarHBondContact O-N 2.83Å; Y622-V624 VanDerWaalsContact C-N 3.34Å
623	A	74.1	Confident	81.9	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-83.5	-9.9	-179.5	0	0	0	0	0	113.4	L559 V615 I619 A620 K621 P625	L559-A623 HydrophobicContact CD2-CB 3.45Å; L559-A623 VanDerWaalsContact CD2-CB 3.45Å; V615-A623 HydrophobicContact CG1-CB 4.06Å; V615-A623 WeakPolarHBondContact CG1-O 3.41Å; I619-A623 HydrophobicContact CB-CB 3.88Å; I619-A623 HydrophobicContact CG2-CB 3.47Å; I619-A623 VanDerWaalsContact CG2-CB 3.47Å; A620-A623 WeakPolarHBondContact O-CB 3.47Å; A620-A623 PolarHBondContact O-N 3.45Å; K621-A623 VanDerWaalsContact C-N 3.29Å; K621-A623 PolarHBondContact O-N 3.08Å; A623-P625 WeakPolarHBondContact O-CD 3.49Å
624	V	88.8	Confident	82.2	Confident	27 Å²	27	53.8 Å²	53.8	16%	0.164	26%	0.264	C	S	.	.	S	Bend	trans	-62.4	124.5	-179	179.5	0	0	0	0	109.3	K612 V615 A616 K621 Y622 D626	K612-V624 HydrophobicContact CB-CG1 3.8Å; K612-V624 HydrophobicContact CD-CG1 4.24Å; K612-V624 HydrophobicContact CG-CG1 3.77Å; V615-V624 HydrophobicContact CB-CG2 4.49Å; V615-V624 HydrophobicContact CG1-CG2 4.37Å; A616-V624 HydrophobicContact CB-CG2 3.6Å; K621-V624 WeakPolarHBondContact O-CG2 3.43Å; Y622-V624 VanDerWaalsContact C-N 3.34Å; V624-D626 PolarHBondContact O-N 3.33Å
625	P	92.1	Very high	82.4	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.254	C	S	.	.			trans	-58.3	130.4	173.6	-23.9	33.6	0	0	0	111	I564 I568 A591 A593 K612 A623 E627 I628	I564-P625 HydrophobicContact CG2-CG 3.9Å; I568-P625 HydrophobicContact CD1-CG 4.39Å; A591-P625 HydrophobicContact CB-CB 4.32Å; A591-P625 HydrophobicContact CB-CG 4.42Å; A591-P625 CarbonylContact O-C 3.58Å; A591-P625 VanDerWaalsContact O-CA 3.28Å; A591-P625 WeakPolarHBondContact O-CA 3.35Å; A593-P625 HydrophobicContact CB-CB 3.93Å; A593-P625 HydrophobicContact CB-CG 3.85Å; K612-P625 WeakPolarHBondContact CE-O 3.36Å; A623-P625 WeakPolarHBondContact O-CD 3.49Å; P625-E627 VanDerWaalsContact C-N 3.29Å; P625-I628 HydrophobicContact CB-CD1 4.44Å; P625-I628 HydrophobicContact CB-CG1 3.95Å; P625-I628 HydrophobicContact CG-CG1 4.49Å
626	D	89.1	Confident	82.6	Confident	48 Å²	48	53.2 Å²	53.2	26%	0.257	26%	0.26	S	S	.	.	S	Bend	trans	-64.6	-43.6	177.5	-81.4	-15.5	0	0	0	109.6	Y582 H584 K587 A590 A591 K612 V624	Y582-D626 WeakPolarHBondContact OH-CB 3.06Å; H584-D626 IonicContact CD2-OD2 2.64Å; H584-D626 PolarHBondContact CD2-OD2 3.24Å; H584-D626 VanDerWaalsContact CD2-OD2 3.29Å; H584-D626 IonicContact NE2-OD2 2.75Å; K587-D626 IonicContact NZ-OD1 2.74Å; K587-D626 PolarHBondContact NZ-OD1 2.91Å; K587-D626 IonicContact NZ-OD2 3.69Å; K587-D626 PolarHBondContact NZ-OD2 3.05Å; A590-D626 HydrophobicContact CB-CB 4.47Å; A590-D626 VanDerWaalsContact CB-OD2 3.23Å; A590-D626 WeakPolarHBondContact CB-OD2 3.43Å; A591-D626 PolarHBondContact O-N 3.32Å; K612-D626 PolarHBondContact NZ-O 3.29Å; V624-D626 PolarHBondContact O-N 3.33Å
627	E	90	Very high	82.6	Confident	45 Å²	45	52.2 Å²	52.2	21%	0.21	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	138.9	175.4	-65.2	-144.3	-147.3	0	0	111.9	F592 A593 P625 Q684	F592-E627 HydrophobicContact CD2-CB 3.57Å; F592-E627 HydrophobicContact CD2-CG 4.42Å; F592-E627 HydrophobicContact CE2-CB 3.37Å; F592-E627 HydrophobicContact CE2-CG 4.14Å; F592-E627 HydrophobicContact CG-CB 4.31Å; F592-E627 HydrophobicContact CZ-CB 3.99Å; A593-E627 PolarHBondContact N-O 3.22Å; P625-E627 VanDerWaalsContact C-N 3.29Å; E627-Q684 PolarHBondContact OE2-NE2 2.77Å
628	I	93.6	Very high	82.2	Confident	17 Å²	17	50.5 Å²	50.5	9%	0.087	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	111.6	173.4	-55.4	-168.7	0	0	0	106.8	A593 I595 V608 L611 K612 P625	A593-I628 HydrophobicContact CB-CG1 4.19Å; A593-I628 HydrophobicContact CB-CG2 4.36Å; A593-I628 CarbonylContact O-C 3.54Å; A593-I628 VanDerWaalsContact O-CA 3.31Å; A593-I628 WeakPolarHBondContact O-CA 3.44Å; I595-I628 HydrophobicContact CB-CG2 4.49Å; I595-I628 HydrophobicContact CD1-CG2 3.62Å; I595-I628 HydrophobicContact CG1-CG2 3.8Å; I595-I628 HydrophobicContact CG2-CG2 3.93Å; V608-I628 HydrophobicContact CG1-CB 3.99Å; V608-I628 HydrophobicContact CG1-CD1 4.26Å; V608-I628 HydrophobicContact CG1-CG1 4.4Å; V608-I628 HydrophobicContact CG2-CB 4.23Å; V608-I628 HydrophobicContact CG2-CG2 3.97Å; L611-I628 HydrophobicContact CB-CD1 4.11Å; K612-I628 HydrophobicContact CG-CD1 3.79Å; P625-I628 HydrophobicContact CB-CD1 4.44Å; P625-I628 HydrophobicContact CB-CG1 3.95Å; P625-I628 HydrophobicContact CG-CG1 4.49Å
629	L	93.6	Very high	81.4	Confident	9 Å²	9	47.4 Å²	47.4	5%	0.047	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	121.4	177.9	-173.9	68.1	0	0	0	110.4	F592 A593 F594 I595 V631 I673 Y677 C680	F592-L629 HydrophobicContact CE1-CB 3.61Å; F592-L629 HydrophobicContact CE1-CD2 4.5Å; F592-L629 HydrophobicContact CZ-CB 3.87Å; A593-L629 PolarHBondContact O-N 3.36Å; F594-L629 WeakPolarHBondContact CA-O 3.45Å; F594-L629 HydrophobicContact CD1-CB 4.21Å; F594-L629 HydrophobicContact CD1-CD2 3.93Å; F594-L629 HydrophobicContact CE1-CD2 3.75Å; I595-L629 PolarHBondContact N-O 3.29Å; L629-V631 HydrophobicContact CD2-CG1 3.9Å; L629-V631 HydrophobicContact CG-CG1 3.97Å; L629-I673 HydrophobicContact CD2-CG2 4.47Å; L629-Y677 HydrophobicContact CD2-CD2 4.26Å; L629-C680 HydrophobicContact CD1-CB 3.83Å
630	V	92.3	Very high	81	Confident	54 Å²	54	45.4 Å²	45.4	33%	0.327	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	121.9	171.9	-176.8	0	0	0	0	109.2	I595 V597 V608	I595-V630 HydrophobicContact CD1-CG2 3.96Å; I595-V630 HydrophobicContact CG1-CB 4.46Å; I595-V630 HydrophobicContact CG1-CG2 3.93Å; I595-V630 WeakPolarHBondContact O-CA 3.28Å; V597-V630 HydrophobicContact CB-CG1 4.49Å; V597-V630 HydrophobicContact CG2-CG1 3.97Å; V597-V630 HydrophobicContact CG2-CG2 4.45Å; V608-V630 HydrophobicContact CG2-CG2 4.17Å
631	V	92.1	Very high	81.4	Confident	9 Å²	9	49.2 Å²	49.2	6%	0.055	23%	0.227	C	C	.	.			trans	-125.3	155.2	178.7	-62.7	0	0	0	0	110.5	F594 I595 V596 L629 R633 L634 I673	F594-V631 HydrophobicContact CB-CG2 4.34Å; F594-V631 HydrophobicContact CD1-CG1 4.06Å; I595-V631 PolarHBondContact O-N 3.01Å; V596-V631 HydrophobicContact CG2-CG2 4.19Å; L629-V631 HydrophobicContact CD2-CG1 3.9Å; L629-V631 HydrophobicContact CG-CG1 3.97Å; V631-R633 WeakPolarHBondContact CG2-O 3.48Å; V631-L634 HydrophobicContact CG2-CD2 4.02Å; V631-I673 HydrophobicContact CB-CG1 4.44Å; V631-I673 HydrophobicContact CG1-CG1 4.11Å; V631-I673 HydrophobicContact CG1-CG2 4.38Å
632	K	87.9	Confident	81.9	Confident	181 Å²	181	41.1 Å²	41.1	79%	0.787	19%	0.193	S	C	*	.	S	Bend	trans	-69.5	-35.2	177.8	-67.8	-174.2	176.5	-175.2	0	112.6	V596	V596-K632 WeakPolarHBondContact CG1-O 3.1Å
633	R	87.9	Confident	82.5	Confident	82 Å²	82	38 Å²	38	31%	0.309	18%	0.182	S	C	.	.			trans	-157.6	165.1	179.2	14.8	172.1	-130.7	171.3	1.6	110.3	V631 D666 S668 I669 E672	V631-R633 WeakPolarHBondContact CG2-O 3.48Å; R633-D666 IonicContact CZ-OD2 3.72Å; R633-D666 IonicContact NH1-OD2 2.77Å; R633-D666 PolarHBondContact NH1-OD2 2.9Å; R633-D666 IonicContact NH2-OD1 3.57Å; R633-D666 IonicContact NH2-OD2 3.61Å; R633-D666 PolarHBondContact NH2-OD2 3.39Å; R633-S668 PolarHBondContact NH2-OG 2.71Å; R633-I669 HydrophobicContact CB-CD1 4.05Å; R633-I669 HydrophobicContact CG-CD1 3.6Å; R633-I669 WeakPolarHBondContact O-CD1 3.49Å; R633-E672 IonicContact CZ-OE1 3.05Å; R633-E672 IonicContact NE-OE1 2.75Å; R633-E672 IonicContact NE-OE2 2.67Å; R633-E672 IonicContact NH2-OE1 3.14Å; R633-E672 PolarHBondContact NH2-OE1 2.95Å
634	L	90.5	Very high	83	Confident	10 Å²	10	40.1 Å²	40.1	5%	0.052	19%	0.19	C	C	.	.			trans	-98.7	151.4	175.3	-64.5	172	0	0	0	111.6	E576 A578 F594 V596 V631 K636 V642	E576-L634 HydrophobicContact CB-CD1 3.95Å; A578-L634 HydrophobicContact CB-CD1 3.92Å; A578-L634 HydrophobicContact CB-CD2 3.88Å; F594-L634 HydrophobicContact CB-CD2 3.66Å; V596-L634 HydrophobicContact CG2-CG 4.15Å; V631-L634 HydrophobicContact CG2-CD2 4.02Å; L634-K636 PolarHBondContact O-N 3.48Å; L634-K636 VanDerWaalsContact O-N 3.15Å; L634-V642 HydrophobicContact CB-CG1 4.45Å; L634-V642 HydrophobicContact CB-CG2 4.38Å; L634-V642 HydrophobicContact CD1-CG2 4.12Å
635	P	88.2	Confident	82.6	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.006	20%	0.2	C	C	.	.			trans	-75.7	103.6	177.4	30.7	-31	0	0	0	109.6	V642 M643 L647 L664 I669 I673	P635-V642 WeakPolarHBondContact O-CA 3.43Å; P635-M643 PolarHBondContact O-N 2.65Å; P635-L647 HydrophobicContact CG-CD1 4.35Å; P635-L647 HydrophobicContact CG-CD2 3.63Å; P635-L647 HydrophobicContact CG-CG 3.8Å; P635-L664 HydrophobicContact CB-CD2 3.84Å; P635-I669 HydrophobicContact CB-CG2 3.85Å; P635-I673 HydrophobicContact CG-CD1 4.16Å
636	K	83.2	Confident	82.3	Confident	29 Å²	29	43.7 Å²	43.7	13%	0.126	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-111.4	146.1	-177.3	-65.9	176.7	-175.2	175.7	0	112.2	T388 E576 L634 G640 K641 V642 L664 E665	T388-K636 HydrophobicContact CG2-CD 4.28Å; E576-K636 IonicContact OE1-NZ 3.17Å; E576-K636 PolarHBondContact OE1-NZ 3.04Å; E576-K636 WeakPolarHBondContact OE2-CE 3.28Å; E576-K636 IonicContact OE2-NZ 3.63Å; E576-K636 PolarHBondContact OE2-NZ 3.06Å; L634-K636 PolarHBondContact O-N 3.48Å; L634-K636 VanDerWaalsContact O-N 3.15Å; K636-G640 WeakPolarHBondContact CD-O 3.46Å; K636-G640 WeakPolarHBondContact CG-O 3.35Å; K636-K641 CarbonylContact C-O 3.57Å; K636-K641 VanDerWaalsContact CA-O 3.3Å; K636-K641 WeakPolarHBondContact CA-O 3.16Å; K636-V642 HydrophobicContact CG-CG2 4.09Å; K636-L664 CarbonylContact O-C 3.53Å; K636-L664 WeakPolarHBondContact O-CA 3.35Å; K636-L664 WeakPolarHBondContact O-CD2 3.45Å; K636-E665 PolarHBondContact O-N 3.26Å
637	T	74.3	Confident	82.3	Confident	10 Å²	10	41.4 Å²	41.4	6%	0.061	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-66.9	167.2	166.1	65.5	0	0	0	0	110.3	S639 G640 K641 M643 T663	T637-S639 PolarHBondContact O-N 3.29Å; T637-S639 VanDerWaalsContact O-N 3.13Å; T637-S639 PolarHBondContact OG1-N 3.26Å; T637-S639 PolarHBondContact OG1-OG 2.93Å; T637-G640 WeakPolarHBondContact O-CA 3.41Å; T637-G640 PolarHBondContact O-N 3.43Å; T637-G640 PolarHBondContact OG1-N 3.18Å; T637-K641 HydrophobicContact CG2-CB 4.27Å; T637-K641 PolarHBondContact N-O 2.91Å; T637-K641 WeakPolarHBondContact OG1-CB 3.24Å; T637-K641 PolarHBondContact OG1-N 2.88Å; T637-K641 VanDerWaalsContact OG1-N 3.07Å; T637-M643 HydrophobicContact CG2-CG 3.76Å; T637-M643 HydrophobicContact CG2-SD 3.96Å; T637-T663 CarbonylContact C-O 3.52Å; T637-T663 WeakPolarHBondContact CA-O 3.41Å
638	R	60.5	Low	82.1	Confident	88 Å²	88	42.1 Å²	42.1	33%	0.332	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-13.8	171.5	-54	-157.3	-165	171.7	3.7	114.8	F195 G197 G640 T663	F195-R638 HydrophobicContact CE1-CB 3.8Å; F195-R638 HydrophobicContact CE1-CG 3.99Å; F195-R638 HydrophobicContact CZ-CB 3.69Å; F195-R638 HydrophobicContact CZ-CG 4.24Å; G197-R638 VanDerWaalsContact CA-CZ 3.47Å; G197-R638 PolarHBondContact O-NH2 3.36Å; R638-G640 VanDerWaalsContact C-N 3.33Å; R638-T663 PolarHBondContact N-O 2.76Å; R638-T663 VanDerWaalsContact N-O 3.1Å
639	S	52.9	Low	81.6	Confident	40 Å²	40	43 Å²	43	28%	0.28	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-3.8	169.7	52.4	0	0	0	0	113	W338 T637	W338-S639 WeakPolarHBondContact CH2-OG 3.47Å; W338-S639 VanDerWaalsContact CZ2-OG 3.29Å; W338-S639 WeakPolarHBondContact CZ2-OG 3.41Å; T637-S639 PolarHBondContact O-N 3.29Å; T637-S639 VanDerWaalsContact O-N 3.13Å; T637-S639 PolarHBondContact OG1-N 3.26Å; T637-S639 PolarHBondContact OG1-OG 2.93Å
640	G	60.7	Low	81.2	Confident	6 Å²	6	42.7 Å²	42.7	6%	0.062	19%	0.191	C	C	.	.			trans	96.7	-6.7	178	0	0	0	0	0	115.4	T388 E417 K636 T637 R638 V642	T388-G640 PolarHBondContact OG1-O 3.02Å; T388-G640 VanDerWaalsContact OG1-O 3.12Å; E417-G640 VanDerWaalsContact OE1-C 3.22Å; K636-G640 WeakPolarHBondContact CD-O 3.46Å; K636-G640 WeakPolarHBondContact CG-O 3.35Å; T637-G640 WeakPolarHBondContact O-CA 3.41Å; T637-G640 PolarHBondContact O-N 3.43Å; T637-G640 PolarHBondContact OG1-N 3.18Å; R638-G640 VanDerWaalsContact C-N 3.33Å; G640-V642 PolarHBondContact O-N 3.21Å
641	K	74.6	Confident	80.8	Confident	99 Å²	99	40.7 Å²	40.7	43%	0.43	18%	0.178	S	C	.	.			trans	-70	124.9	-175.3	-178	177.3	178.6	173.7	0	111.1	E417 K636 T637 M643	E417-K641 WeakPolarHBondContact OE1-CA 3.42Å; E417-K641 PolarHBondContact OE1-N 3.38Å; E417-K641 VanDerWaalsContact OE1-N 3.12Å; K636-K641 CarbonylContact C-O 3.57Å; K636-K641 VanDerWaalsContact CA-O 3.3Å; K636-K641 WeakPolarHBondContact CA-O 3.16Å; T637-K641 HydrophobicContact CG2-CB 4.27Å; T637-K641 PolarHBondContact N-O 2.91Å; T637-K641 WeakPolarHBondContact OG1-CB 3.24Å; T637-K641 PolarHBondContact OG1-N 2.88Å; T637-K641 VanDerWaalsContact OG1-N 3.07Å; K641-M643 PolarHBondContact O-N 3.38Å
642	V	83.3	Confident	80	Confident	14 Å²	14	42.5 Å²	42.5	9%	0.085	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-64.8	127.5	173.5	-178.7	0	0	0	0	110.3	A578 L634 P635 K636 G640 R644 L647	A578-V642 HydrophobicContact CB-CG1 3.84Å; L634-V642 HydrophobicContact CB-CG1 4.45Å; L634-V642 HydrophobicContact CB-CG2 4.38Å; L634-V642 HydrophobicContact CD1-CG2 4.12Å; P635-V642 WeakPolarHBondContact O-CA 3.43Å; K636-V642 HydrophobicContact CG-CG2 4.09Å; G640-V642 PolarHBondContact O-N 3.21Å; V642-R644 HydrophobicContact CG1-CG 4.3Å; V642-R644 PolarHBondContact O-N 3.01Å; V642-R644 VanDerWaalsContact O-N 3.12Å; V642-L647 HydrophobicContact CG1-CD1 4.02Å
643	M	82.3	Confident	79	Confident	28 Å²	28	38.1 Å²	38.1	14%	0.138	18%	0.181	C	C	.	.			trans	-86.6	72.1	179.6	-66.2	-166.8	70.8	0	0	111.6	P635 T637 K641 R645 L646 T663 L664	P635-M643 PolarHBondContact O-N 2.65Å; T637-M643 HydrophobicContact CG2-CG 3.76Å; T637-M643 HydrophobicContact CG2-SD 3.96Å; K641-M643 PolarHBondContact O-N 3.38Å; M643-R645 PolarHBondContact O-N 3.42Å; M643-R645 VanDerWaalsContact O-N 3.13Å; M643-L646 HydrophobicContact CB-CD1 3.89Å; M643-L646 HydrophobicContact CB-CG 4.1Å; M643-L646 HydrophobicContact CE-CD1 4.03Å; M643-L646 HydrophobicContact CE-CG 4.32Å; M643-L646 WeakPolarHBondContact O-CB 3.48Å; M643-L646 PolarHBondContact O-N 2.97Å; M643-L646 HydrophobicContact SD-CD1 3.93Å; M643-T663 PolarHBondContact SD-OG1 2.99Å; M643-L664 HydrophobicContact CB-CD2 4.41Å; M643-L664 HydrophobicContact CG-CD2 3.99Å; M643-L664 HydrophobicContact SD-CD2 3.36Å; M643-L664 WeakPolarHBondContact SD-CD2 3.33Å; M643-L664 HydrophobicContact SD-CG 3.72Å
644	R	84.3	Confident	77.8	Confident	45 Å²	45	38.6 Å²	38.6	17%	0.17	19%	0.187	C	C	.	.	H	α-helix	trans	-53.8	-32.8	-178.9	-68.5	-173.9	-177	78.2	4.5	114.3	E565 I580 V642 L646 L647 R648	E565-R644 IonicContact OE1-CZ 2.76Å; E565-R644 IonicContact OE1-NE 3.52Å; E565-R644 PolarHBondContact OE1-NE 3.5Å; E565-R644 IonicContact OE1-NH2 3.08Å; E565-R644 PolarHBondContact OE1-NH2 2.78Å; E565-R644 IonicContact OE2-CZ 3.72Å; E565-R644 IonicContact OE2-NH2 3.83Å; E565-R644 PolarHBondContact OE2-NH2 2.88Å; I580-R644 HydrophobicContact CG2-CB 4.04Å; I580-R644 HydrophobicContact CG2-CG 4.33Å; V642-R644 HydrophobicContact CG1-CG 4.3Å; V642-R644 PolarHBondContact O-N 3.01Å; V642-R644 VanDerWaalsContact O-N 3.12Å; R644-L646 VanDerWaalsContact C-N 3.26Å; R644-L646 PolarHBondContact O-N 2.76Å; R644-L647 WeakPolarHBondContact O-CB 3.18Å; R644-L647 PolarHBondContact O-N 3.03Å; R644-R648 PolarHBondContact O-N 3.08Å
645	R	82.4	Confident	76.1	Confident	102 Å²	102	39.7 Å²	39.7	39%	0.385	20%	0.197	S	C	.	.	H	α-helix	trans	-53.9	-41.2	173.3	-173.4	-175.5	67	72.9	0.1	112.6	M643 R648 K649 L658 D660	M643-R645 PolarHBondContact O-N 3.42Å; M643-R645 VanDerWaalsContact O-N 3.13Å; R645-R648 PolarHBondContact O-N 3.13Å; R645-K649 PolarHBondContact O-N 3.17Å; R645-K649 VanDerWaalsContact O-N 3.11Å; R645-L658 PolarHBondContact NH1-O 2.91Å; R645-L658 PolarHBondContact NH2-O 2.89Å; R645-D660 PolarHBondContact NH2-O 3.39Å
646	L	84.8	Confident	74.4	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-70.5	-43.6	179	-62.3	179	0	0	0	111	M643 R644 R648 K649 I650 L658 T661 L664 I670	M643-L646 HydrophobicContact CB-CD1 3.89Å; M643-L646 HydrophobicContact CB-CG 4.1Å; M643-L646 HydrophobicContact CE-CD1 4.03Å; M643-L646 HydrophobicContact CE-CG 4.32Å; M643-L646 WeakPolarHBondContact O-CB 3.48Å; M643-L646 PolarHBondContact O-N 2.97Å; M643-L646 HydrophobicContact SD-CD1 3.93Å; R644-L646 VanDerWaalsContact C-N 3.26Å; R644-L646 PolarHBondContact O-N 2.76Å; L646-R648 VanDerWaalsContact C-N 3.27Å; L646-R648 PolarHBondContact O-N 2.69Å; L646-K649 PolarHBondContact O-N 3.32Å; L646-I650 VanDerWaalsContact O-CG1 3.28Å; L646-I650 WeakPolarHBondContact O-CG1 3.35Å; L646-I650 PolarHBondContact O-N 2.92Å; L646-L658 HydrophobicContact CD2-CB 4.18Å; L646-L658 HydrophobicContact CD2-CD2 4.11Å; L646-L658 VanDerWaalsContact CD2-O 3.26Å; L646-L658 WeakPolarHBondContact CD2-O 3.41Å; L646-T661 HydrophobicContact CD1-CG2 4.3Å; L646-T661 HydrophobicContact CD2-CG2 4.12Å; L646-L664 HydrophobicContact CD1-CD1 3.85Å; L646-L664 HydrophobicContact CD1-CD2 4.16Å; L646-L664 HydrophobicContact CD1-CG 4.25Å; L646-I670 HydrophobicContact CD1-CD1 4.16Å
647	L	88.9	Confident	73.5	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-56.7	-43.8	174.4	-64.8	177.1	0	0	0	111	A578 I580 F594 P635 V642 R644 I650 I651 I673	A578-L647 HydrophobicContact CB-CD1 3.75Å; I580-L647 HydrophobicContact CD1-CB 4.39Å; I580-L647 HydrophobicContact CG2-CB 4.07Å; F594-L647 HydrophobicContact CD1-CD2 4.01Å; F594-L647 HydrophobicContact CD2-CB 4.29Å; F594-L647 HydrophobicContact CD2-CD1 3.83Å; F594-L647 HydrophobicContact CD2-CD2 4.14Å; F594-L647 HydrophobicContact CD2-CG 4.31Å; F594-L647 HydrophobicContact CE1-CD2 3.86Å; F594-L647 HydrophobicContact CE2-CB 3.68Å; F594-L647 HydrophobicContact CE2-CD1 4.1Å; F594-L647 HydrophobicContact CE2-CD2 4.02Å; F594-L647 HydrophobicContact CE2-CG 4.14Å; F594-L647 HydrophobicContact CG-CD1 4.29Å; F594-L647 HydrophobicContact CG-CD2 4.13Å; F594-L647 HydrophobicContact CZ-CB 3.93Å; F594-L647 HydrophobicContact CZ-CD2 3.85Å; F594-L647 HydrophobicContact CZ-CG 4.37Å; P635-L647 HydrophobicContact CG-CD1 4.35Å; P635-L647 HydrophobicContact CG-CD2 3.63Å; P635-L647 HydrophobicContact CG-CG 3.8Å; V642-L647 HydrophobicContact CG1-CD1 4.02Å; R644-L647 WeakPolarHBondContact O-CB 3.18Å; R644-L647 PolarHBondContact O-N 3.03Å; L647-I650 PolarHBondContact O-N 2.8Å; L647-I651 WeakPolarHBondContact O-CG1 3.48Å; L647-I651 PolarHBondContact O-N 2.98Å; L647-I673 HydrophobicContact CD2-CD1 3.96Å
648	R	85.8	Confident	73	Confident	60 Å²	60	55.3 Å²	55.3	23%	0.226	27%	0.271	C	S	.	.	H	α-helix	trans	-60.4	-49.5	177.1	-161.8	-178.7	-60.5	-111	15.6	112.2	D549 D550 I580 G581 R644 R645 L646 I650 I651 T652	D549-R648 PolarHBondContact O-NH2 3.47Å; D550-R648 IonicContact OD1-NH2 3.72Å; I580-R648 HydrophobicContact CD1-CB 4.17Å; I580-R648 HydrophobicContact CD1-CG 4.46Å; G581-R648 PolarHBondContact O-NH1 2.93Å; R644-R648 PolarHBondContact O-N 3.08Å; R645-R648 PolarHBondContact O-N 3.13Å; L646-R648 VanDerWaalsContact C-N 3.27Å; L646-R648 PolarHBondContact O-N 2.69Å; R648-I650 VanDerWaalsContact C-N 3.3Å; R648-I650 PolarHBondContact O-N 2.89Å; R648-I651 PolarHBondContact O-N 3.15Å; R648-I651 VanDerWaalsContact O-N 3.17Å; R648-T652 HydrophobicContact CG-CG2 4.45Å; R648-T652 WeakPolarHBondContact O-CG2 3.24Å; R648-T652 PolarHBondContact O-N 2.92Å; R648-T652 PolarHBondContact O-OG1 2.63Å; R648-T652 VanDerWaalsContact O-OG1 3.12Å
649	K	83.2	Confident	73.4	Confident	36 Å²	36	53.8 Å²	53.8	16%	0.157	28%	0.282	C	S	.	.	H	α-helix	trans	-62.5	-33.8	177.8	-75.7	-169	165	-95.6	0	113.7	R645 L646 S653 E654 E657 L658	R645-K649 PolarHBondContact O-N 3.17Å; R645-K649 VanDerWaalsContact O-N 3.11Å; L646-K649 PolarHBondContact O-N 3.32Å; K649-S653 PolarHBondContact O-N 2.76Å; K649-E654 HydrophobicContact CB-CB 4.4Å; K649-E654 HydrophobicContact CG-CB 4.4Å; K649-E654 IonicContact NZ-OE2 3.74Å; K649-E654 PolarHBondContact NZ-OE2 3.2Å; K649-E654 PolarHBondContact O-N 2.98Å; K649-E654 VanDerWaalsContact O-N 3.11Å; K649-E657 WeakPolarHBondContact CD-O 3.28Å; K649-E657 WeakPolarHBondContact CE-O 3.42Å; K649-E657 PolarHBondContact NZ-O 3.3Å; K649-E657 IonicContact NZ-OE2 2.95Å; K649-L658 HydrophobicContact CB-CD2 4.14Å
650	I	84.6	Confident	74	Confident	3 Å²	3	55.3 Å²	55.3	2%	0.015	29%	0.287	C	S	.	.	H	α-helix	trans	-62.5	-45.5	174.7	-72.1	166	0	0	0	110.4	L646 L647 R648 L658 I670 I673 L674 Y677	L646-I650 VanDerWaalsContact O-CG1 3.28Å; L646-I650 WeakPolarHBondContact O-CG1 3.35Å; L646-I650 PolarHBondContact O-N 2.92Å; L647-I650 PolarHBondContact O-N 2.8Å; R648-I650 VanDerWaalsContact C-N 3.3Å; R648-I650 PolarHBondContact O-N 2.89Å; I650-L658 HydrophobicContact CG1-CD2 4.27Å; I650-I670 HydrophobicContact CD1-CG2 4.34Å; I650-I673 HydrophobicContact CD1-CB 4.36Å; I650-I673 HydrophobicContact CD1-CG2 4.01Å; I650-I673 HydrophobicContact CG2-CG2 4.3Å; I650-L674 HydrophobicContact CB-CD2 4.4Å; I650-L674 HydrophobicContact CG1-CD2 4.17Å; I650-L674 HydrophobicContact CG1-CG 4.29Å; I650-L674 HydrophobicContact CG2-CD2 3.78Å; I650-L674 HydrophobicContact CG2-CG 4.32Å; I650-Y677 HydrophobicContact CG2-CD1 4.45Å
651	I	83.6	Confident	74.7	Confident	11 Å²	11	56.8 Å²	56.8	6%	0.056	30%	0.295	C	S	.	.	H	α-helix	trans	-75.4	-38.3	-177.4	-60.1	-55.8	0	0	0	112.2	I580 Y582 F592 F594 L647 R648 S653 Y677	I580-I651 HydrophobicContact CD1-CB 4.21Å; I580-I651 HydrophobicContact CD1-CG1 3.9Å; Y582-I651 HydrophobicContact CG-CG2 4.36Å; F592-I651 HydrophobicContact CD1-CD1 4.25Å; F592-I651 HydrophobicContact CD1-CG1 4.27Å; F592-I651 HydrophobicContact CD2-CD1 4.2Å; F592-I651 HydrophobicContact CD2-CG1 4.29Å; F592-I651 HydrophobicContact CD2-CG2 3.96Å; F592-I651 HydrophobicContact CE1-CD1 3.74Å; F592-I651 HydrophobicContact CE1-CG1 4.27Å; F592-I651 HydrophobicContact CE2-CD1 3.71Å; F592-I651 HydrophobicContact CE2-CG1 4.3Å; F592-I651 HydrophobicContact CE2-CG2 4.23Å; F592-I651 HydrophobicContact CG-CD1 4.47Å; F592-I651 HydrophobicContact CG-CG1 4.31Å; F592-I651 HydrophobicContact CZ-CD1 3.46Å; F592-I651 VanDerWaalsContact CZ-CD1 3.46Å; F592-I651 HydrophobicContact CZ-CG1 4.29Å; F594-I651 HydrophobicContact CE1-CD1 4.23Å; F594-I651 HydrophobicContact CE2-CG1 4.3Å; F594-I651 HydrophobicContact CZ-CD1 3.74Å; F594-I651 HydrophobicContact CZ-CG1 3.61Å; L647-I651 WeakPolarHBondContact O-CG1 3.48Å; L647-I651 PolarHBondContact O-N 2.98Å; R648-I651 PolarHBondContact O-N 3.15Å; R648-I651 VanDerWaalsContact O-N 3.17Å; I651-S653 PolarHBondContact O-N 2.88Å; I651-S653 VanDerWaalsContact O-N 3.12Å; I651-Y677 HydrophobicContact CD1-CD1 4.19Å; I651-Y677 HydrophobicContact CD1-CD2 3.59Å; I651-Y677 HydrophobicContact CD1-CE1 4.02Å; I651-Y677 HydrophobicContact CD1-CE2 3.41Å; I651-Y677 VanDerWaalsContact CD1-CE2 3.41Å; I651-Y677 HydrophobicContact CD1-CG 3.99Å
652	T	77	Confident	74.3	Confident	48 Å²	48	54 Å²	54	29%	0.294	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	6.2	178.2	60.6	0	0	0	0	113.8	R648 E654	R648-T652 HydrophobicContact CG-CG2 4.45Å; R648-T652 WeakPolarHBondContact O-CG2 3.24Å; R648-T652 PolarHBondContact O-N 2.92Å; R648-T652 PolarHBondContact O-OG1 2.63Å; R648-T652 VanDerWaalsContact O-OG1 3.12Å; T652-E654 PolarHBondContact O-N 3.08Å
653	S	66.3	Low	73.7	Confident	89 Å²	89	54.6 Å²	54.6	62%	0.622	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.1	20.3	179.4	-50.9	0	0	0	0	114.6	K649 I651 A655	K649-S653 PolarHBondContact O-N 2.76Å; I651-S653 PolarHBondContact O-N 2.88Å; I651-S653 VanDerWaalsContact O-N 3.12Å; S653-A655 PolarHBondContact O-N 2.68Å
654	E	61.9	Low	73.5	Confident	91 Å²	91	53.4 Å²	53.4	43%	0.425	28%	0.284	S	S	.	.			trans	-88.2	31.4	168.4	-66.5	179.1	-161.1	0	0	111.9	K649 T652 Q656 E657	K649-E654 HydrophobicContact CB-CB 4.4Å; K649-E654 HydrophobicContact CG-CB 4.4Å; K649-E654 IonicContact NZ-OE2 3.74Å; K649-E654 PolarHBondContact NZ-OE2 3.2Å; K649-E654 PolarHBondContact O-N 2.98Å; K649-E654 VanDerWaalsContact O-N 3.11Å; T652-E654 PolarHBondContact O-N 3.08Å; E654-Q656 PolarHBondContact O-N 3.39Å; E654-E657 PolarHBondContact O-N 2.87Å
655	A	55.2	Low	73.1	Confident	33 Å²	33	57.9 Å²	57.9	27%	0.273	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-62.9	-16.2	-173	0	0	0	0	0	113.6	S653 E657 L658 L674	S653-A655 PolarHBondContact O-N 2.68Å; A655-E657 VanDerWaalsContact C-N 3.32Å; A655-L658 WeakPolarHBondContact O-CD1 3.48Å; A655-L658 WeakPolarHBondContact O-CG 3.46Å; A655-L674 HydrophobicContact CB-CD2 3.97Å
656	Q	53.5	Low	72.9	Confident	204 Å²	204	55.7 Å²	55.7	95%	0.953	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-79.7	-11.9	175.1	-65.8	-177.3	-5.7	0	0	113.2	E654	E654-Q656 PolarHBondContact O-N 3.39Å
657	E	62.8	Low	72.7	Confident	136 Å²	136	59.2 Å²	59.2	64%	0.636	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-121.4	44.4	-177.6	-63.4	-169.3	171.3	0	0	112.9	K649 E654 A655 G659	K649-E657 WeakPolarHBondContact CD-O 3.28Å; K649-E657 WeakPolarHBondContact CE-O 3.42Å; K649-E657 PolarHBondContact NZ-O 3.3Å; K649-E657 IonicContact NZ-OE2 2.95Å; E654-E657 PolarHBondContact O-N 2.87Å; A655-E657 VanDerWaalsContact C-N 3.32Å; E657-G659 PolarHBondContact O-N 3.08Å; E657-G659 VanDerWaalsContact O-N 3.09Å
658	L	65.6	Low	72.4	Confident	29 Å²	29	61.7 Å²	61.7	15%	0.152	34%	0.344	C	S	.	.			trans	-63.6	-16.1	-176.5	-70.1	162.7	0	0	0	114.2	R645 L646 K649 I650 A655 T661 I670	R645-L658 PolarHBondContact NH1-O 2.91Å; R645-L658 PolarHBondContact NH2-O 2.89Å; L646-L658 HydrophobicContact CD2-CB 4.18Å; L646-L658 HydrophobicContact CD2-CD2 4.11Å; L646-L658 VanDerWaalsContact CD2-O 3.26Å; L646-L658 WeakPolarHBondContact CD2-O 3.41Å; K649-L658 HydrophobicContact CB-CD2 4.14Å; I650-L658 HydrophobicContact CG1-CD2 4.27Å; A655-L658 WeakPolarHBondContact O-CD1 3.48Å; A655-L658 WeakPolarHBondContact O-CG 3.46Å; L658-T661 HydrophobicContact CB-CG2 4.32Å; L658-I670 HydrophobicContact CD1-CD1 4.38Å; L658-I670 HydrophobicContact CD1-CG2 3.63Å
659	G	68.8	Low	72.5	Confident	55 Å²	55	59 Å²	59	57%	0.567	33%	0.334	S	S	*	.			trans	67.5	-154.9	-177.2	0	0	0	0	0	112.6	E657 T661	E657-G659 PolarHBondContact O-N 3.08Å; E657-G659 VanDerWaalsContact O-N 3.09Å; G659-T661 PolarHBondContact O-N 3.5Å
660	D	64.5	Low	72.7	Confident	72 Å²	72	58 Å²	58	39%	0.385	33%	0.33	S	S	.	.			trans	-69.3	119.1	-179.2	-171.6	-1.9	0	0	0	111.7	S202 R645 T662	S202-D660 PolarHBondContact OG-OD2 3.48Å; R645-D660 PolarHBondContact NH2-O 3.39Å; D660-T662 WeakPolarHBondContact OD1-CB 3.33Å; D660-T662 WeakPolarHBondContact OD1-CG2 3.25Å; D660-T662 PolarHBondContact OD1-N 3.47Å; D660-T662 PolarHBondContact OD1-OG1 3.36Å; D660-T662 PolarHBondContact OD2-OG1 2.78Å
661	T	75.1	Confident	72.7	Confident	38 Å²	38	62.7 Å²	62.7	23%	0.233	36%	0.359	C	S	.	.			trans	-110.6	3.4	177.6	57.4	0	0	0	0	112.8	L646 L658 G659 T663 L664 I670	L646-T661 HydrophobicContact CD1-CG2 4.3Å; L646-T661 HydrophobicContact CD2-CG2 4.12Å; L658-T661 HydrophobicContact CB-CG2 4.32Å; G659-T661 PolarHBondContact O-N 3.5Å; T661-T663 PolarHBondContact O-N 2.93Å; T661-L664 VanDerWaalsContact O-CB 3.32Å; T661-L664 WeakPolarHBondContact O-CB 3.48Å; T661-L664 WeakPolarHBondContact O-CG 3.4Å; T661-L664 PolarHBondContact O-N 2.72Å; T661-L664 VanDerWaalsContact O-N 3.14Å; T661-I670 HydrophobicContact CG2-CD1 3.48Å; T661-I670 VanDerWaalsContact CG2-CD1 3.48Å
662	T	67	Low	72.9	Confident	39 Å²	39	65.3 Å²	65.3	24%	0.239	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-16.6	-171.2	64.1	0	0	0	0	113.8	S202 D660 L664	S202-T662 PolarHBondContact OG-OG1 2.93Å; S202-T662 VanDerWaalsContact OG-OG1 3.1Å; D660-T662 WeakPolarHBondContact OD1-CB 3.33Å; D660-T662 WeakPolarHBondContact OD1-CG2 3.25Å; D660-T662 PolarHBondContact OD1-N 3.47Å; D660-T662 PolarHBondContact OD1-OG1 3.36Å; D660-T662 PolarHBondContact OD2-OG1 2.78Å; T662-L664 VanDerWaalsContact C-N 3.3Å
663	T	70.9	Confident	73.6	Confident	27 Å²	27	63.1 Å²	63.1	17%	0.166	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-12.8	177	64.7	0	0	0	0	113	F198 T637 R638 M643 T661	F198-T663 HydrophobicContact CD1-CG2 4.11Å; F198-T663 HydrophobicContact CE1-CG2 3.46Å; F198-T663 VanDerWaalsContact CE1-CG2 3.46Å; F198-T663 HydrophobicContact CZ-CG2 4.09Å; T637-T663 CarbonylContact C-O 3.52Å; T637-T663 WeakPolarHBondContact CA-O 3.41Å; R638-T663 PolarHBondContact N-O 2.76Å; R638-T663 VanDerWaalsContact N-O 3.1Å; M643-T663 PolarHBondContact SD-OG1 2.99Å; T661-T663 PolarHBondContact O-N 2.93Å
664	L	76.6	Confident	74.6	Confident	3 Å²	3	61.5 Å²	61.5	2%	0.016	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	-61.9	144.3	177	-71.9	174	0	0	0	111.4	P635 K636 M643 L646 T661 T662 D666 I669 I670	P635-L664 HydrophobicContact CB-CD2 3.84Å; K636-L664 CarbonylContact O-C 3.53Å; K636-L664 WeakPolarHBondContact O-CA 3.35Å; K636-L664 WeakPolarHBondContact O-CD2 3.45Å; M643-L664 HydrophobicContact CB-CD2 4.41Å; M643-L664 HydrophobicContact CG-CD2 3.99Å; M643-L664 HydrophobicContact SD-CD2 3.36Å; M643-L664 WeakPolarHBondContact SD-CD2 3.33Å; M643-L664 HydrophobicContact SD-CG 3.72Å; L646-L664 HydrophobicContact CD1-CD1 3.85Å; L646-L664 HydrophobicContact CD1-CD2 4.16Å; L646-L664 HydrophobicContact CD1-CG 4.25Å; T661-L664 VanDerWaalsContact O-CB 3.32Å; T661-L664 WeakPolarHBondContact O-CB 3.48Å; T661-L664 WeakPolarHBondContact O-CG 3.4Å; T661-L664 PolarHBondContact O-N 2.72Å; T661-L664 VanDerWaalsContact O-N 3.14Å; T662-L664 VanDerWaalsContact C-N 3.3Å; L664-D666 VanDerWaalsContact C-N 3.32Å; L664-I669 HydrophobicContact CD1-CG2 4.35Å; L664-I670 HydrophobicContact CD1-CD1 3.76Å; L664-I670 HydrophobicContact CD1-CG1 4.01Å
665	E	76.3	Confident	75.8	Confident	139 Å²	139	59.9 Å²	59.9	65%	0.65	34%	0.34	S	S	*	.	S	Bend	trans	-63.6	-41.9	168.2	-175.8	-179.3	-176.2	0	0	111.1	K636	K636-E665 PolarHBondContact O-N 3.26Å
666	D	78.5	Confident	77.3	Confident	57 Å²	57	59.6 Å²	59.6	31%	0.305	34%	0.338	S	S	.	.			trans	-142.4	109.3	179.2	-170.2	-15.7	0	0	0	111.2	R633 L664 S668 I669	R633-D666 IonicContact CZ-OD2 3.72Å; R633-D666 IonicContact NH1-OD2 2.77Å; R633-D666 PolarHBondContact NH1-OD2 2.9Å; R633-D666 IonicContact NH2-OD1 3.57Å; R633-D666 IonicContact NH2-OD2 3.61Å; R633-D666 PolarHBondContact NH2-OD2 3.39Å; L664-D666 VanDerWaalsContact C-N 3.32Å; D666-S668 VanDerWaalsContact C-N 3.3Å; D666-S668 PolarHBondContact O-N 3.33Å; D666-S668 PolarHBondContact OD1-N 3.07Å; D666-S668 PolarHBondContact OD1-OG 3.25Å; D666-I669 WeakPolarHBondContact O-CG2 3.36Å
667	P	80.6	Confident	78.9	Confident	73 Å²	73	50.9 Å²	50.9	47%	0.474	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-22.8	179.5	-24.1	35.2	0	0	0	115.3	I669 I670	P667-I669 PolarHBondContact O-N 3.43Å; P667-I669 VanDerWaalsContact O-N 3.11Å; P667-I670 PolarHBondContact O-N 2.77Å
668	S	83.2	Confident	80	Confident	53 Å²	53	49.3 Å²	49.3	37%	0.371	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-22.2	-177	77.7	0	0	0	0	112.8	R633 D666 I670 T671 E672	R633-S668 PolarHBondContact NH2-OG 2.71Å; D666-S668 VanDerWaalsContact C-N 3.3Å; D666-S668 PolarHBondContact O-N 3.33Å; D666-S668 PolarHBondContact OD1-N 3.07Å; D666-S668 PolarHBondContact OD1-OG 3.25Å; S668-I670 PolarHBondContact O-N 3Å; S668-I670 VanDerWaalsContact O-N 3.16Å; S668-T671 PolarHBondContact O-N 3.33Å; S668-T671 VanDerWaalsContact O-N 3.12Å; S668-E672 PolarHBondContact O-N 3.07Å; S668-E672 PolarHBondContact OG-OE1 2.79Å
669	I	87.6	Confident	80.9	Confident	4 Å²	4	54.2 Å²	54.2	2%	0.021	31%	0.309	C	S	.	.	H	α-helix	trans	-57.4	-31.2	-178	-166	44.4	0	0	0	113.1	R633 P635 L664 D666 P667 E672 I673	R633-I669 HydrophobicContact CB-CD1 4.05Å; R633-I669 HydrophobicContact CG-CD1 3.6Å; R633-I669 WeakPolarHBondContact O-CD1 3.49Å; P635-I669 HydrophobicContact CB-CG2 3.85Å; L664-I669 HydrophobicContact CD1-CG2 4.35Å; D666-I669 WeakPolarHBondContact O-CG2 3.36Å; P667-I669 PolarHBondContact O-N 3.43Å; P667-I669 VanDerWaalsContact O-N 3.11Å; I669-E672 HydrophobicContact CD1-CB 4.29Å; I669-E672 PolarHBondContact O-N 3.04Å; I669-I673 HydrophobicContact CD1-CD1 4.2Å; I669-I673 HydrophobicContact CD1-CG1 4.17Å; I669-I673 HydrophobicContact CG1-CD1 3.92Å; I669-I673 HydrophobicContact CG1-CG1 4.37Å; I669-I673 VanDerWaalsContact O-CG1 3.28Å; I669-I673 WeakPolarHBondContact O-CG1 3.38Å; I669-I673 PolarHBondContact O-N 2.75Å
670	I	86.8	Confident	81.5	Confident	14 Å²	14	53.1 Å²	53.1	7%	0.072	29%	0.292	C	S	.	.	H	α-helix	trans	-63.3	-47	179.8	-62.2	179.5	0	0	0	109.7	L646 I650 L658 T661 L664 P667 S668 E672 I673 L674	L646-I670 HydrophobicContact CD1-CD1 4.16Å; I650-I670 HydrophobicContact CD1-CG2 4.34Å; L658-I670 HydrophobicContact CD1-CD1 4.38Å; L658-I670 HydrophobicContact CD1-CG2 3.63Å; T661-I670 HydrophobicContact CG2-CD1 3.48Å; T661-I670 VanDerWaalsContact CG2-CD1 3.48Å; L664-I670 HydrophobicContact CD1-CD1 3.76Å; L664-I670 HydrophobicContact CD1-CG1 4.01Å; P667-I670 PolarHBondContact O-N 2.77Å; S668-I670 PolarHBondContact O-N 3Å; S668-I670 VanDerWaalsContact O-N 3.16Å; I670-E672 VanDerWaalsContact C-N 3.33Å; I670-E672 PolarHBondContact O-N 3.37Å; I670-I673 PolarHBondContact O-N 3.48Å; I670-L674 HydrophobicContact CG2-CD1 3.99Å; I670-L674 WeakPolarHBondContact O-CB 3.44Å; I670-L674 WeakPolarHBondContact O-CG 3.37Å; I670-L674 PolarHBondContact O-N 3.44Å
671	T	84.8	Confident	82.4	Confident	101 Å²	101	53.3 Å²	53.3	62%	0.62	29%	0.289	S	S	*	.	H	α-helix	trans	-65.7	-38.2	179	-50.1	0	0	0	0	111.4	S668 L674 S675	S668-T671 PolarHBondContact O-N 3.33Å; S668-T671 VanDerWaalsContact O-N 3.12Å; T671-L674 PolarHBondContact O-N 2.65Å; T671-S675 WeakPolarHBondContact O-CB 3.46Å; T671-S675 PolarHBondContact O-N 2.9Å
672	E	88.8	Confident	82.7	Confident	67 Å²	67	55.6 Å²	55.6	31%	0.313	30%	0.3	S	S	.	.	H	α-helix	trans	-61.5	-46.8	175.8	-67.5	171.2	-131.7	0	0	111.7	R633 S668 I669 I670 S675 A676	R633-E672 IonicContact CZ-OE1 3.05Å; R633-E672 IonicContact NE-OE1 2.75Å; R633-E672 IonicContact NE-OE2 2.67Å; R633-E672 IonicContact NH2-OE1 3.14Å; R633-E672 PolarHBondContact NH2-OE1 2.95Å; S668-E672 PolarHBondContact O-N 3.07Å; S668-E672 PolarHBondContact OG-OE1 2.79Å; I669-E672 HydrophobicContact CD1-CB 4.29Å; I669-E672 PolarHBondContact O-N 3.04Å; I670-E672 VanDerWaalsContact C-N 3.33Å; I670-E672 PolarHBondContact O-N 3.37Å; E672-S675 PolarHBondContact O-N 2.95Å; E672-A676 PolarHBondContact O-N 3.32Å
673	I	90.6	Very high	83.3	Confident	2 Å²	2	60.9 Å²	60.9	1%	0.01	32%	0.32	C	S	.	.	H	α-helix	trans	-66.7	-42.4	179	-66.2	170.9	0	0	0	110.8	F594 L629 V631 P635 L647 I650 I669 I670 S675 A676 Y677	F594-I673 HydrophobicContact CD1-CG2 4.35Å; F594-I673 HydrophobicContact CE1-CG2 3.89Å; L629-I673 HydrophobicContact CD2-CG2 4.47Å; V631-I673 HydrophobicContact CB-CG1 4.44Å; V631-I673 HydrophobicContact CG1-CG1 4.11Å; V631-I673 HydrophobicContact CG1-CG2 4.38Å; P635-I673 HydrophobicContact CG-CD1 4.16Å; L647-I673 HydrophobicContact CD2-CD1 3.96Å; I650-I673 HydrophobicContact CD1-CB 4.36Å; I650-I673 HydrophobicContact CD1-CG2 4.01Å; I650-I673 HydrophobicContact CG2-CG2 4.3Å; I669-I673 HydrophobicContact CD1-CD1 4.2Å; I669-I673 HydrophobicContact CD1-CG1 4.17Å; I669-I673 HydrophobicContact CG1-CD1 3.92Å; I669-I673 HydrophobicContact CG1-CG1 4.37Å; I669-I673 VanDerWaalsContact O-CG1 3.28Å; I669-I673 WeakPolarHBondContact O-CG1 3.38Å; I669-I673 PolarHBondContact O-N 2.75Å; I670-I673 PolarHBondContact O-N 3.48Å; I673-S675 VanDerWaalsContact C-N 3.31Å; I673-S675 PolarHBondContact O-N 2.98Å; I673-A676 PolarHBondContact O-N 2.74Å; I673-Y677 WeakPolarHBondContact O-CB 3.32Å; I673-Y677 PolarHBondContact O-N 3.37Å
674	L	87.2	Confident	83.5	Confident	54 Å²	54	63.2 Å²	63.2	28%	0.283	33%	0.329	S	S	.	.	H	α-helix	trans	-57.7	-44.2	174.5	-79.6	166	0	0	0	111.6	I650 A655 I670 T671 Y677 Q678	I650-L674 HydrophobicContact CB-CD2 4.4Å; I650-L674 HydrophobicContact CG1-CD2 4.17Å; I650-L674 HydrophobicContact CG1-CG 4.29Å; I650-L674 HydrophobicContact CG2-CD2 3.78Å; I650-L674 HydrophobicContact CG2-CG 4.32Å; A655-L674 HydrophobicContact CB-CD2 3.97Å; I670-L674 HydrophobicContact CG2-CD1 3.99Å; I670-L674 WeakPolarHBondContact O-CB 3.44Å; I670-L674 WeakPolarHBondContact O-CG 3.37Å; I670-L674 PolarHBondContact O-N 3.44Å; T671-L674 PolarHBondContact O-N 2.65Å; L674-Y677 PolarHBondContact O-N 3.14Å; L674-Q678 WeakPolarHBondContact O-CB 3.03Å; L674-Q678 PolarHBondContact O-N 3.41Å
675	S	86.8	Confident	83.4	Confident	58 Å²	58	66.2 Å²	66.2	41%	0.406	35%	0.354	S	S	.	.	H	α-helix	trans	-64.4	-41.4	177.1	-173.4	0	0	0	0	112.2	T671 E672 I673 K679	T671-S675 WeakPolarHBondContact O-CB 3.46Å; T671-S675 PolarHBondContact O-N 2.9Å; E672-S675 PolarHBondContact O-N 2.95Å; I673-S675 VanDerWaalsContact C-N 3.31Å; I673-S675 PolarHBondContact O-N 2.98Å; S675-K679 WeakPolarHBondContact O-CG 3.34Å; S675-K679 PolarHBondContact O-N 3.28Å; S675-K679 VanDerWaalsContact O-N 3.09Å
676	A	86.6	Confident	83.2	Confident	27 Å²	27	63.8 Å²	63.8	22%	0.223	36%	0.358	C	S	.	.	H	α-helix	trans	-63.2	-43.8	175.8	0	0	0	0	0	111.7	E672 I673 K679 C680	E672-A676 PolarHBondContact O-N 3.32Å; I673-A676 PolarHBondContact O-N 2.74Å; A676-K679 PolarHBondContact O-N 3.38Å; A676-C680 PolarHBondContact O-N 3.37Å
677	Y	88.3	Confident	82.5	Confident	21 Å²	21	65.3 Å²	65.3	8%	0.082	38%	0.378	C	S	.	.	H	α-helix	trans	-64.6	-43.5	178.4	-175.9	-124	0	0	0	112.1	F592 L629 I650 I651 I673 L674 K679 C680 K681	F592-Y677 AromaticContact CE2-CE2 3.92Å; F592-Y677 HydrophobicContact CE2-CE2 3.92Å; F592-Y677 HydrophobicContact CZ-CD2 4.1Å; F592-Y677 AromaticContact CZ-CE2 3.91Å; F592-Y677 HydrophobicContact CZ-CE2 3.91Å; L629-Y677 HydrophobicContact CD2-CD2 4.26Å; I650-Y677 HydrophobicContact CG2-CD1 4.45Å; I651-Y677 HydrophobicContact CD1-CD1 4.19Å; I651-Y677 HydrophobicContact CD1-CD2 3.59Å; I651-Y677 HydrophobicContact CD1-CE1 4.02Å; I651-Y677 HydrophobicContact CD1-CE2 3.41Å; I651-Y677 VanDerWaalsContact CD1-CE2 3.41Å; I651-Y677 HydrophobicContact CD1-CG 3.99Å; I673-Y677 WeakPolarHBondContact O-CB 3.32Å; I673-Y677 PolarHBondContact O-N 3.37Å; L674-Y677 PolarHBondContact O-N 3.14Å; Y677-K679 PolarHBondContact O-N 3.11Å; Y677-C680 WeakPolarHBondContact O-CB 3.5Å; Y677-C680 PolarHBondContact O-N 2.77Å; Y677-C680 VanDerWaalsContact O-N 3.17Å; Y677-K681 HydrophobicContact CE1-CD 4.14Å; Y677-K681 HydrophobicContact CE2-CG 4.49Å; Y677-K681 VanDerWaalsContact CZ-CE 3.47Å; Y677-K681 PolarHBondContact O-N 2.93Å; Y677-K681 WeakPolarHBondContact OH-CE 3.36Å; Y677-K681 PolarHBondContact OH-NZ 3.36Å
678	Q	85.1	Confident	80.9	Confident	102 Å²	102	73 Å²	73	48%	0.477	40%	0.404	S	S	.	.	H	α-helix	trans	-61.2	-44.9	176.6	-171.8	60.4	48.7	0	0	111.6	L674 C680 K681 D682	L674-Q678 WeakPolarHBondContact O-CB 3.03Å; L674-Q678 PolarHBondContact O-N 3.41Å; Q678-C680 VanDerWaalsContact C-N 3.27Å; Q678-C680 PolarHBondContact O-N 3.21Å; Q678-K681 PolarHBondContact O-N 2.6Å; Q678-K681 VanDerWaalsContact O-N 3.15Å; Q678-D682 PolarHBondContact NE2-OD1 2.86Å; Q678-D682 PolarHBondContact O-N 3.15Å
679	K	84.6	Confident	80.8	Confident	133 Å²	133	74 Å²	74	58%	0.578	41%	0.406	S	S	*	.	H	α-helix	trans	-60	-37	175.2	-73.3	174.9	-177.6	179.5	0	112.7	S675 A676 Y677 K683	S675-K679 WeakPolarHBondContact O-CG 3.34Å; S675-K679 PolarHBondContact O-N 3.28Å; S675-K679 VanDerWaalsContact O-N 3.09Å; A676-K679 PolarHBondContact O-N 3.38Å; Y677-K679 PolarHBondContact O-N 3.11Å; K679-K683 WeakPolarHBondContact O-CG 3.33Å; K679-K683 PolarHBondContact O-N 3.3Å
680	C	82.4	Confident	80.5	Confident	31 Å²	31	77.7 Å²	77.7	21%	0.209	43%	0.426	C	S	.	.	H	α-helix	trans	-63.4	-47.5	175.1	-167	0	0	0	0	110.8	L629 A676 Y677 Q678 D682 K683 Q684	L629-C680 HydrophobicContact CD1-CB 3.83Å; A676-C680 PolarHBondContact O-N 3.37Å; Y677-C680 WeakPolarHBondContact O-CB 3.5Å; Y677-C680 PolarHBondContact O-N 2.77Å; Y677-C680 VanDerWaalsContact O-N 3.17Å; Q678-C680 VanDerWaalsContact C-N 3.27Å; Q678-C680 PolarHBondContact O-N 3.21Å; C680-D682 PolarHBondContact O-N 2.98Å; C680-K683 PolarHBondContact O-N 3.22Å; C680-Q684 WeakPolarHBondContact O-CG 3.28Å; C680-Q684 PolarHBondContact O-N 2.93Å
681	K	82.1	Confident	80.1	Confident	76 Å²	76	81.2 Å²	81.2	33%	0.33	45%	0.446	S	S	.	.	H	α-helix	trans	-60.1	-43.6	175.5	-80.4	-165	162	172.3	0	112.8	Y677 Q678 K683 Q684 A685	Y677-K681 HydrophobicContact CE1-CD 4.14Å; Y677-K681 HydrophobicContact CE2-CG 4.49Å; Y677-K681 VanDerWaalsContact CZ-CE 3.47Å; Y677-K681 PolarHBondContact O-N 2.93Å; Y677-K681 WeakPolarHBondContact OH-CE 3.36Å; Y677-K681 PolarHBondContact OH-NZ 3.36Å; Q678-K681 PolarHBondContact O-N 2.6Å; Q678-K681 VanDerWaalsContact O-N 3.15Å; K681-K683 VanDerWaalsContact C-N 3.33Å; K681-K683 PolarHBondContact O-N 3.26Å; K681-Q684 PolarHBondContact O-N 3.02Å; K681-A685 WeakPolarHBondContact O-CB 3.08Å; K681-A685 PolarHBondContact O-N 2.89Å
682	D	83	Confident	79.8	Confident	86 Å²	86	80.1 Å²	80.1	46%	0.46	44%	0.436	S	S	.	.	H	α-helix	trans	-63.3	-40.8	179.1	-61.6	-18.8	0	0	0	111	Q678 C680 A685 A686	Q678-D682 PolarHBondContact NE2-OD1 2.86Å; Q678-D682 PolarHBondContact O-N 3.15Å; C680-D682 PolarHBondContact O-N 2.98Å; D682-A685 PolarHBondContact O-N 3.03Å; D682-A686 WeakPolarHBondContact O-CB 3.35Å; D682-A686 PolarHBondContact O-N 3.21Å
683	K	78.4	Confident	79.3	Confident	151 Å²	151	80.9 Å²	80.9	66%	0.657	44%	0.443	S	S	*	.	H	α-helix	trans	-63.1	-43.8	173.4	-80.1	-175.1	174.4	-170.9	0	112.5	K679 C680 K681 A685 A686 A687	K679-K683 WeakPolarHBondContact O-CG 3.33Å; K679-K683 PolarHBondContact O-N 3.3Å; C680-K683 PolarHBondContact O-N 3.22Å; K681-K683 VanDerWaalsContact C-N 3.33Å; K681-K683 PolarHBondContact O-N 3.26Å; K683-A685 VanDerWaalsContact C-N 3.32Å; K683-A686 PolarHBondContact O-N 2.89Å; K683-A687 WeakPolarHBondContact O-CB 3.48Å; K683-A687 PolarHBondContact O-N 2.69Å; K683-A687 VanDerWaalsContact O-N 3.1Å
684	Q	75.7	Confident	78.5	Confident	75 Å²	75	86.1 Å²	86.1	35%	0.35	47%	0.472	S	S	.	.	H	α-helix	trans	-65.8	-35.8	177.7	-71.5	172.6	-2.7	0	0	112	E627 C680 K681 A687 K688	E627-Q684 PolarHBondContact OE2-NE2 2.77Å; C680-Q684 WeakPolarHBondContact O-CG 3.28Å; C680-Q684 PolarHBondContact O-N 2.93Å; K681-Q684 PolarHBondContact O-N 3.02Å; Q684-A687 PolarHBondContact O-N 2.98Å; Q684-K688 PolarHBondContact O-N 3.31Å
685	A	74.1	Confident	77.9	Confident	67 Å²	67	88.4 Å²	88.4	55%	0.554	49%	0.486	S	S	*	.	H	α-helix	trans	-70.3	-34.2	175.2	0	0	0	0	0	112.3	K681 D682 K683 A687	K681-A685 WeakPolarHBondContact O-CB 3.08Å; K681-A685 PolarHBondContact O-N 2.89Å; D682-A685 PolarHBondContact O-N 3.03Å; K683-A685 VanDerWaalsContact C-N 3.32Å; A685-A687 VanDerWaalsContact C-N 3.32Å
686	A	72.4	Confident	77.2	Confident	88 Å²	88	90.8 Å²	90.8	73%	0.727	49%	0.492	S	S	*	.	H	α-helix	trans	-76.4	-17.5	175.7	0	0	0	0	0	113.9	D682 K683	D682-A686 WeakPolarHBondContact O-CB 3.35Å; D682-A686 PolarHBondContact O-N 3.21Å; K683-A686 PolarHBondContact O-N 2.89Å
687	A	63.3	Low	76.5	Confident	88 Å²	88	96.1 Å²	96.1	73%	0.727	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-7.7	177.7	0	0	0	0	0	113.8	K683 Q684 A685	K683-A687 WeakPolarHBondContact O-CB 3.48Å; K683-A687 PolarHBondContact O-N 2.69Å; K683-A687 VanDerWaalsContact O-N 3.1Å; Q684-A687 PolarHBondContact O-N 2.98Å; A685-A687 VanDerWaalsContact C-N 3.32Å
688	K	47.9	Very low	75.4	Confident	235 Å²	235	102.9 Å²	102.9	100%	1.022	55%	0.554	S	S	*	*			trans	-98	0	170	-75.6	-178	178.3	179.1	0	109.6	Q684	Q684-K688 PolarHBondContact O-N 3.31Å

Retrieved 688 of 688 residues in 1957.8 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).