A0A087XAG3_POEFO Loading...

Protein disulfide-isomerase

AlphaFold DB , UniProt , Accession A0A087XAG3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 568 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	30.2	Very low	37.2	Very low	194 Å²	194	105.8 Å²	105.8	96%	0.956	53%	0.525	S	S	*	.				0	-41	0	-82.5	173.8	74.2	0	0	114.5
2	R	25.3	Very low	37.6	Very low	231 Å²	231	99.5 Å²	99.5	87%	0.872	51%	0.507	S	S	*	.	H	α-helix	trans	-64.4	-37.2	175.4	-97	179.2	172	172.5	-2.9	114.2	L6	R2-L6 PolarHBondContact O-N 3.45Å
3	T	33.1	Very low	38.6	Very low	96 Å²	96	98.2 Å²	98.2	59%	0.589	50%	0.501	S	S	*	.	H	α-helix	trans	-67.5	-38.1	-178.8	47.5	0	0	0	0	113.9	L6 C7	T3-L6 PolarHBondContact O-N 2.73Å; T3-C7 PolarHBondContact O-N 3.12Å
4	H	32	Very low	39.2	Very low	144 Å²	144	93.1 Å²	93.1	67%	0.667	48%	0.475	S	S	*	.	H	α-helix	trans	-68.6	-39.2	177.4	-110.8	-17.8	0	0	0	112.5	L6 I8	H4-L6 VanDerWaalsContact C-N 3.29Å; H4-L6 PolarHBondContact O-N 2.95Å; H4-I8 VanDerWaalsContact O-CD1 3.27Å; H4-I8 WeakPolarHBondContact O-CD1 3.39Å; H4-I8 WeakPolarHBondContact O-CG1 3.4Å; H4-I8 PolarHBondContact O-N 3.44Å
5	K	33.7	Very low	39.3	Very low	156 Å²	156	90.9 Å²	90.9	68%	0.678	47%	0.465	S	S	*	.	H	α-helix	trans	-64.7	-32.2	177.4	-70.3	-171.2	175.5	-171.2	0	112.8	A9	K5-A9 PolarHBondContact O-N 3.45Å
6	L	39.1	Very low	39.3	Very low	88 Å²	88	93.6 Å²	93.6	46%	0.461	48%	0.48	S	S	.	.	H	α-helix	trans	-73.8	-43.2	-179.6	-134	84.2	0	0	0	112.7	R2 T3 H4 I8 A9 L10 Q367	R2-L6 PolarHBondContact O-N 3.45Å; T3-L6 PolarHBondContact O-N 2.73Å; H4-L6 VanDerWaalsContact C-N 3.29Å; H4-L6 PolarHBondContact O-N 2.95Å; L6-I8 VanDerWaalsContact C-N 3.31Å; L6-I8 PolarHBondContact O-N 2.99Å; L6-A9 PolarHBondContact O-N 2.66Å; L6-L10 PolarHBondContact O-N 3.41Å; L6-Q367 HydrophobicContact CD2-CG 4.32Å
7	C	39.4	Very low	39.3	Very low	33 Å²	33	91.6 Å²	91.6	22%	0.223	49%	0.488	C	S	.	.	H	α-helix	trans	-63.8	-37.1	173.8	-71.6	0	0	0	0	111.8	T3 A9 L10 L11	T3-C7 PolarHBondContact O-N 3.12Å; C7-A9 VanDerWaalsContact C-N 3.33Å; C7-A9 PolarHBondContact O-N 3.17Å; C7-L10 PolarHBondContact O-N 2.68Å; C7-L11 WeakPolarHBondContact O-CB 3.49Å; C7-L11 PolarHBondContact O-N 3.43Å
8	I	42.2	Very low	39.1	Very low	108 Å²	108	91.3 Å²	91.3	55%	0.554	49%	0.494	S	S	*	.	H	α-helix	trans	-64.9	-34.6	177.1	-67.9	164.5	0	0	0	111.7	H4 L6 L11 G12	H4-I8 VanDerWaalsContact O-CD1 3.27Å; H4-I8 WeakPolarHBondContact O-CD1 3.39Å; H4-I8 WeakPolarHBondContact O-CG1 3.4Å; H4-I8 PolarHBondContact O-N 3.44Å; L6-I8 VanDerWaalsContact C-N 3.31Å; L6-I8 PolarHBondContact O-N 2.99Å; I8-L11 PolarHBondContact O-N 3.14Å; I8-G12 PolarHBondContact O-N 3.32Å
9	A	45.4	Very low	38.5	Very low	58 Å²	58	97.4 Å²	97.4	48%	0.479	52%	0.515	S	S	.	.	H	α-helix	trans	-68.2	-41.3	177.3	0	0	0	0	0	112.5	K5 L6 C7 G12 L13	K5-A9 PolarHBondContact O-N 3.45Å; L6-A9 PolarHBondContact O-N 2.66Å; C7-A9 VanDerWaalsContact C-N 3.33Å; C7-A9 PolarHBondContact O-N 3.17Å; A9-G12 PolarHBondContact O-N 2.73Å; A9-L13 WeakPolarHBondContact O-CB 3.22Å; A9-L13 PolarHBondContact O-N 3.16Å
10	L	45.9	Very low	38.3	Very low	14 Å²	14	98.6 Å²	98.6	7%	0.073	53%	0.532	C	S	.	.	H	α-helix	trans	-70.2	-39.5	174.4	-152.9	86.7	0	0	0	111.3	L6 C7 G12 L13 L14 F294 Y348 M364	L6-L10 PolarHBondContact O-N 3.41Å; C7-L10 PolarHBondContact O-N 2.68Å; L10-G12 VanDerWaalsContact C-N 3.33Å; L10-G12 PolarHBondContact O-N 3.33Å; L10-L13 PolarHBondContact O-N 2.85Å; L10-L14 HydrophobicContact CD2-CD1 4.45Å; L10-L14 HydrophobicContact CG-CD1 4.39Å; L10-L14 WeakPolarHBondContact O-CB 3.48Å; L10-L14 WeakPolarHBondContact O-CD1 3.43Å; L10-L14 WeakPolarHBondContact O-CG 3.48Å; L10-L14 PolarHBondContact O-N 2.95Å; L10-L14 VanDerWaalsContact O-N 3.08Å; L10-F294 HydrophobicContact CD2-CE1 4.04Å; L10-Y348 HydrophobicContact CD1-CD1 4.4Å; L10-Y348 HydrophobicContact CD1-CE1 3.7Å; L10-Y348 HydrophobicContact CD1-CE2 4.11Å; L10-M364 HydrophobicContact CD2-CE 3.45Å; L10-M364 VanDerWaalsContact CD2-CE 3.45Å; L10-M364 HydrophobicContact CD2-SD 3.91Å
11	L	42.9	Very low	37.7	Very low	42 Å²	42	101.2 Å²	101.2	22%	0.22	54%	0.544	C	S	.	.	H	α-helix	trans	-59	-44.6	172.6	-150.4	99.5	0	0	0	111.3	C7 I8 L14 L15 F294	C7-L11 WeakPolarHBondContact O-CB 3.49Å; C7-L11 PolarHBondContact O-N 3.43Å; I8-L11 PolarHBondContact O-N 3.14Å; L11-L14 PolarHBondContact O-N 2.99Å; L11-L15 HydrophobicContact CD2-CD1 3.62Å; L11-L15 HydrophobicContact CG-CD1 3.76Å; L11-L15 WeakPolarHBondContact O-CB 3.46Å; L11-L15 WeakPolarHBondContact O-CG 3.48Å; L11-L15 PolarHBondContact O-N 3.31Å; L11-F294 HydrophobicContact CD1-CB 3.28Å; L11-F294 HydrophobicContact CD1-CD1 4.39Å; L11-F294 HydrophobicContact CD1-CD2 3.19Å; L11-F294 HydrophobicContact CD1-CE2 4.24Å; L11-F294 HydrophobicContact CD1-CG 3.34Å; L11-F294 HydrophobicContact CG-CD2 4.23Å
12	G	42	Very low	37.5	Very low	30 Å²	30	100.8 Å²	100.8	31%	0.309	54%	0.54	S	S	.	.	H	α-helix	trans	-63.3	-45	177.3	0	0	0	0	0	112.2	I8 A9 L10 L14 L15 L16	I8-G12 PolarHBondContact O-N 3.32Å; A9-G12 PolarHBondContact O-N 2.73Å; L10-G12 VanDerWaalsContact C-N 3.33Å; L10-G12 PolarHBondContact O-N 3.33Å; G12-L14 PolarHBondContact O-N 3.5Å; G12-L15 PolarHBondContact O-N 3.13Å; G12-L16 WeakPolarHBondContact O-CB 3.3Å; G12-L16 WeakPolarHBondContact O-CD1 3.32Å; G12-L16 WeakPolarHBondContact O-CG 2.95Å; G12-L16 PolarHBondContact O-N 3.4Å
13	L	50.7	Low	37.5	Very low	82 Å²	82	94.9 Å²	94.9	43%	0.429	54%	0.54	S	S	.	.	H	α-helix	trans	-59	-29.8	173.4	-89.3	155.9	0	0	0	113.2	A9 L10	A9-L13 WeakPolarHBondContact O-CB 3.22Å; A9-L13 PolarHBondContact O-N 3.16Å; L10-L13 PolarHBondContact O-N 2.85Å
14	L	47.6	Very low	37.2	Very low	28 Å²	28	93.8 Å²	93.8	15%	0.147	55%	0.549	C	S	.	.	H	α-helix	trans	-91.7	-24.5	-178	-67.5	173.8	0	0	0	114.1	L10 L11 G12 F285 F294 V345	L10-L14 HydrophobicContact CD2-CD1 4.45Å; L10-L14 HydrophobicContact CG-CD1 4.39Å; L10-L14 WeakPolarHBondContact O-CB 3.48Å; L10-L14 WeakPolarHBondContact O-CD1 3.43Å; L10-L14 WeakPolarHBondContact O-CG 3.48Å; L10-L14 PolarHBondContact O-N 2.95Å; L10-L14 VanDerWaalsContact O-N 3.08Å; L11-L14 PolarHBondContact O-N 2.99Å; G12-L14 PolarHBondContact O-N 3.5Å; L14-F285 HydrophobicContact CB-CZ 4.13Å; L14-F285 HydrophobicContact CD1-CZ 4.39Å; L14-F285 HydrophobicContact CD2-CZ 4.36Å; L14-F294 HydrophobicContact CD1-CE1 3.68Å; L14-F294 HydrophobicContact CD1-CE2 3.46Å; L14-F294 VanDerWaalsContact CD1-CE2 3.46Å; L14-F294 HydrophobicContact CD1-CZ 2.94Å; L14-F294 HydrophobicContact CG-CZ 4.39Å; L14-V345 HydrophobicContact CD2-CB 4.02Å; L14-V345 HydrophobicContact CD2-CG1 3.86Å; L14-V345 HydrophobicContact CD2-CG2 3.33Å
15	L	39.5	Very low	37	Very low	60 Å²	60	94.6 Å²	94.6	31%	0.314	56%	0.558	S	S	.	*	H	α-helix	trans	-102.7	-4.2	-176.6	-69	175	0	0	0	114.8	L11 G12 G17 T287 A290	L11-L15 HydrophobicContact CD2-CD1 3.62Å; L11-L15 HydrophobicContact CG-CD1 3.76Å; L11-L15 WeakPolarHBondContact O-CB 3.46Å; L11-L15 WeakPolarHBondContact O-CG 3.48Å; L11-L15 PolarHBondContact O-N 3.31Å; G12-L15 PolarHBondContact O-N 3.13Å; L15-G17 PolarHBondContact O-N 3.22Å; L15-T287 HydrophobicContact CD2-CG2 4.29Å; L15-A290 HydrophobicContact CD2-CB 4.12Å
16	L	40.3	Very low	36.9	Very low	134 Å²	134	92.7 Å²	92.7	70%	0.702	56%	0.561	S	S	*	*			trans	-68.5	8	-178	-87.2	162.7	0	0	0	115.8	G12	G12-L16 WeakPolarHBondContact O-CB 3.3Å; G12-L16 WeakPolarHBondContact O-CD1 3.32Å; G12-L16 WeakPolarHBondContact O-CG 2.95Å; G12-L16 PolarHBondContact O-N 3.4Å
17	G	39.7	Very low	36.4	Very low	60 Å²	60	97.1 Å²	97.1	62%	0.619	58%	0.577	S	S	*	*			trans	-96.5	27.8	-172.5	0	0	0	0	0	117	L15	L15-G17 PolarHBondContact O-N 3.22Å
18	S	34.1	Very low	35.9	Very low	85 Å²	85	103.2 Å²	103.2	59%	0.594	61%	0.607	S	S	*	*	S	Bend	trans	-143.2	37.8	-177.9	-54.7	0	0	0	0	115.7
19	F	29.1	Very low	35.2	Very low	207 Å²	207	105.3 Å²	105.3	91%	0.908	62%	0.619	S	S	*	*			trans	-149.1	84.8	161.3	-85	-79.9	0	0	0	110.1
20	S	33.2	Very low	34.5	Very low	122 Å²	122	107.7 Å²	107.7	85%	0.853	63%	0.63	S	S	*	*			trans	-168.5	71.8	158.5	-83.4	0	0	0	0	110.9
21	I	26.4	Very low	33.7	Very low	153 Å²	153	114.7 Å²	114.7	79%	0.785	67%	0.668	S	S	*	*			trans	-141.8	124.7	153.9	-60.6	-174.3	0	0	0	109.3
22	Q	25.8	Very low	32.9	Very low	186 Å²	186	122.7 Å²	122.7	87%	0.869	70%	0.701	S	S	*	*			trans	76.4	98.1	163.7	-79.9	164.4	-55.6	0	0	120.3
23	A	25.9	Very low	32.4	Very low	106 Å²	106	125.4 Å²	125.4	88%	0.876	72%	0.72	S	S	*	*				-156	131.4	120.5	0	0	0	0	0	109.4
24	G	26	Very low	31.2	Very low	74 Å²	74	127.4 Å²	127.4	76%	0.763	74%	0.736	S	S	*	*			trans	-79.7	158.9	-176.4	0	0	0	0	0	114.2
25	D	27.5	Very low	30.3	Very low	161 Å²	161	135.3 Å²	135.3	86%	0.861	77%	0.772	S	S	*	*			trans	-44.5	142.4	172	-103.9	-42.4	0	0	0	114.3
26	P	31.4	Very low	29.8	Very low	115 Å²	115	136.8 Å²	136.8	75%	0.747	79%	0.793	S	S	*	*				-143.3	122.7	106.7	31.8	-14	0	0	0	115.6
27	K	29.1	Very low	29.2	Very low	181 Å²	181	136.1 Å²	136.1	79%	0.787	80%	0.799	S	S	*	*			trans	43.7	110.3	132.8	-62.5	-174.1	178.8	-179.6	0	120.1
28	D	29.3	Very low	28.6	Very low	162 Å²	162	138.4 Å²	138.4	87%	0.866	81%	0.806	S	S	*	*				42.2	105	127.7	-59.4	-32.2	0	0	0	120.3
29	D	28.4	Very low	28.6	Very low	151 Å²	151	139.2 Å²	139.2	81%	0.807	82%	0.818	S	S	*	*			trans	-144.9	116.8	138.5	-161.8	-9.5	0	0	0	109.5	N31	D29-N31 PolarHBondContact O-N 3.26Å
30	P	30	Very low	28.6	Very low	109 Å²	109	137.1 Å²	137.1	71%	0.708	81%	0.811	S	S	*	*			trans	-93.4	101.4	-171.6	34.4	-29.3	0	0	0	110.9
31	N	29.6	Very low	28.3	Very low	161 Å²	161	138.2 Å²	138.2	86%	0.861	81%	0.813	S	S	*	*			trans	-164	86.6	158.6	-108	-22.1	0	0	0	111.7	D29	D29-N31 PolarHBondContact O-N 3.26Å
32	K	26	Very low	28.4	Very low	209 Å²	209	138.2 Å²	138.2	91%	0.909	81%	0.814	S	S	*	*			trans	-165.8	114	135	-130.9	171.7	175.6	179.7	0	111.9
33	A	30.1	Very low	28.5	Very low	87 Å²	87	138 Å²	138	72%	0.719	81%	0.813	S	S	*	*			trans	-67.8	143	165.5	0	0	0	0	0	110.8
34	T	27.2	Very low	28.8	Very low	124 Å²	124	140.4 Å²	140.4	76%	0.761	81%	0.81	S	S	*	*			trans	2.9	132.1	143.1	41.7	0	0	0	0	117.9
35	E	27.9	Very low	28.8	Very low	195 Å²	195	143.2 Å²	143.2	91%	0.911	81%	0.813	S	S	*	*				-171.1	145.3	106.9	-103.4	172.1	-170.6	0	0	112.6
36	A	27.9	Very low	29.4	Very low	91 Å²	91	140.6 Å²	140.6	75%	0.752	81%	0.808	S	S	*	*			trans	-92.1	147.2	179.6	0	0	0	0	0	110.9
37	S	29	Very low	29.4	Very low	119 Å²	119	144 Å²	144	83%	0.832	81%	0.813	S	S	*	*			trans	29	110.7	139.4	-179.6	0	0	0	0	118.6
38	S	27.4	Very low	29.6	Very low	109 Å²	109	144.3 Å²	144.3	76%	0.762	82%	0.818	S	S	*	*			trans	-142.4	131.7	135	45.1	0	0	0	0	109.5
39	A	33.5	Very low	29.8	Very low	101 Å²	101	141.8 Å²	141.8	84%	0.835	81%	0.808	S	S	*	*			trans	-79	116.3	171.3	0	0	0	0	0	107.7
40	E	28.1	Very low	30.3	Very low	163 Å²	163	142.6 Å²	142.6	76%	0.762	81%	0.813	S	S	*	*			trans	-114.8	128	163.4	-77.3	-169.6	154.2	0	0	109.1
41	T	28.5	Very low	30.6	Very low	146 Å²	146	145.3 Å²	145.3	90%	0.896	81%	0.813	S	S	*	*			trans	-76.7	116.1	168.1	-25.8	0	0	0	0	106.2
42	L	27.1	Very low	31.1	Very low	153 Å²	153	146.7 Å²	146.7	80%	0.801	81%	0.811	S	S	*	*			trans	-128.9	130.4	170.3	-80.9	170.7	0	0	0	110.3
43	E	28.4	Very low	31.8	Very low	182 Å²	182	142.5 Å²	142.5	85%	0.85	81%	0.806	S	S	*	*			trans	-61.1	161.4	176.8	-67.6	174.7	139.2	0	0	112.7	T45	E43-T45 PolarHBondContact O-N 3.14Å
44	D	33.1	Very low	32.9	Very low	155 Å²	155	147.1 Å²	147.1	83%	0.829	81%	0.81	S	S	*	*			trans	-34.1	106.7	173.7	-160.1	7.3	0	0	0	115.3
45	T	25.8	Very low	34.5	Very low	134 Å²	134	147.6 Å²	147.6	82%	0.822	80%	0.801	S	S	*	*			trans	-135	109	150.1	53.4	0	0	0	0	109.2	E43 E47	E43-T45 PolarHBondContact O-N 3.14Å; T45-E47 PolarHBondContact O-N 3.18Å
46	S	39.5	Very low	36.3	Very low	106 Å²	106	146.7 Å²	146.7	74%	0.741	80%	0.797	S	S	*	*			trans	-53.8	120.8	167.8	54.3	0	0	0	0	112
47	E	31.6	Very low	38.5	Very low	186 Å²	186	146.6 Å²	146.6	87%	0.869	78%	0.779	S	S	*	*			trans	-159.7	121.6	149.9	-113.3	165.1	-160.3	0	0	112.6	T45	T45-E47 PolarHBondContact O-N 3.18Å
48	E	32.7	Very low	41	Very low	188 Å²	188	143.5 Å²	143.5	88%	0.879	76%	0.755	S	S	*	*			trans	40.6	87.2	158.2	-64.2	-169	149.4	0	0	120.1	D50	E48-D50 PolarHBondContact O-N 2.84Å
49	T	33.7	Very low	43.8	Very low	109 Å²	109	142.8 Å²	142.8	67%	0.669	75%	0.747	S	S	*	*			trans	-64.6	116.2	152.8	52.6	0	0	0	0	110.3	K51	T49-K51 PolarHBondContact O-N 3.2Å; T49-K51 WeakPolarHBondContact OG1-CE 3.16Å
50	D	38.6	Very low	46.4	Very low	168 Å²	168	142.8 Å²	142.8	90%	0.898	73%	0.733	S	S	*	*			trans	-65.6	76.6	160.3	-154.2	-3.1	0	0	0	108.5	E48 K52	E48-D50 PolarHBondContact O-N 2.84Å; D50-K52 PolarHBondContact O-N 2.68Å; D50-K52 VanDerWaalsContact O-N 3.15Å
51	K	36.4	Very low	49.5	Very low	165 Å²	165	136.8 Å²	136.8	72%	0.717	71%	0.706	S	S	*	*			trans	-71.8	106.8	178.4	-81.6	176.8	-177.8	170.3	0	107.7	T49	T49-K51 PolarHBondContact O-N 3.2Å; T49-K51 WeakPolarHBondContact OG1-CE 3.16Å
52	K	40.2	Very low	52.7	Low	190 Å²	190	134.6 Å²	134.6	83%	0.826	69%	0.685	S	S	*	*			trans	-42.3	132.4	155.4	-89.1	-177.8	176.1	178.9	0	108.2	D50 K54	D50-K52 PolarHBondContact O-N 2.68Å; D50-K52 VanDerWaalsContact O-N 3.15Å; K52-K54 PolarHBondContact O-N 2.81Å; K52-K54 VanDerWaalsContact O-N 3.14Å
53	P	41.2	Very low	55.9	Low	121 Å²	121	131.5 Å²	131.5	79%	0.786	67%	0.666	S	S	*	*			trans	-57.2	123.8	-179.6	21	-30.5	0	0	0	109.1	K55	P53-K55 PolarHBondContact O-N 3.14Å; P53-K55 VanDerWaalsContact O-N 3.07Å
54	K	52.4	Low	59	Low	185 Å²	185	126.6 Å²	126.6	80%	0.804	64%	0.644	S	S	*	*			trans	-57.1	114.8	172.1	-79.5	-173.5	173	-172.1	0	107.5	K52 E56	K52-K54 PolarHBondContact O-N 2.81Å; K52-K54 VanDerWaalsContact O-N 3.14Å; K54-E56 PolarHBondContact O-N 3.35Å
55	K	61	Low	61.9	Low	134 Å²	134	125.2 Å²	125.2	58%	0.583	63%	0.63	S	S	*	*			trans	-55.8	132.3	171.7	-77.5	-175.2	171.6	-171.5	0	108	P53 K57 E62	P53-K55 PolarHBondContact O-N 3.14Å; P53-K55 VanDerWaalsContact O-N 3.07Å; K55-K57 PolarHBondContact O-N 3.2Å; K55-E62 IonicContact NZ-OE2 2.73Å; K55-E62 PolarHBondContact NZ-OE2 3.49Å
56	E	66.8	Low	65.1	Low	176 Å²	176	121.6 Å²	121.6	82%	0.822	61%	0.606	S	S	*	*			trans	-62.3	127.2	174.6	-79.6	-174.6	150.7	0	0	109.6	K54 T58	K54-E56 PolarHBondContact O-N 3.35Å; E56-T58 PolarHBondContact O-N 3.02Å; E56-T58 VanDerWaalsContact O-N 3.17Å
57	K	74.4	Confident	67.9	Low	88 Å²	88	116.7 Å²	116.7	38%	0.383	57%	0.571	S	S	.	*			trans	-74.2	104.2	177.2	-60.4	-171.2	-175.2	-166.7	0	109.3	K55 H71 I72 N73 E128	K55-K57 PolarHBondContact O-N 3.2Å; K57-H71 HydrophobicContact CD-CB 4.46Å; K57-I72 HydrophobicContact CD-CG2 4.36Å; K57-N73 WeakPolarHBondContact CB-ND2 3.42Å; K57-N73 PolarHBondContact O-ND2 3.23Å; K57-N73 VanDerWaalsContact O-ND2 3.12Å; K57-E128 WeakPolarHBondContact CE-OE1 3.33Å; K57-E128 IonicContact NZ-OE1 3.41Å; K57-E128 PolarHBondContact NZ-OE1 3.41Å; K57-E128 IonicContact NZ-OE2 3.73Å; K57-E128 PolarHBondContact NZ-OE2 2.94Å
58	T	81.6	Confident	71	Confident	54 Å²	54	108.1 Å²	108.1	33%	0.331	53%	0.532	S	S	.	.			trans	-96.7	-173.2	179.8	71.7	0	0	0	0	111.2	E56 N60 H71 N73	E56-T58 PolarHBondContact O-N 3.02Å; E56-T58 VanDerWaalsContact O-N 3.17Å; T58-N60 WeakPolarHBondContact OG1-CB 3.09Å; T58-N60 PolarHBondContact OG1-N 3.09Å; T58-N60 VanDerWaalsContact OG1-N 3.14Å; T58-H71 PolarHBondContact O-CE1 3.3Å; T58-H71 PolarHBondContact O-NE2 3.36Å; T58-N73 WeakPolarHBondContact O-CB 3.34Å
59	T	84.7	Confident	74.1	Confident	95 Å²	95	100.7 Å²	100.7	58%	0.583	50%	0.499	S	S	*	.	S	Bend	trans	-95.9	2.1	167.5	54.1	0	0	0	0	112.3	R77	T59-R77 PolarHBondContact O-NH1 2.87Å
60	N	89.4	Confident	77.1	Confident	101 Å²	101	95.7 Å²	95.7	54%	0.54	47%	0.468	S	S	.	.			trans	-78.8	146.9	175.7	-64.8	-25.8	0	0	0	109.4	T58 N74	T58-N60 WeakPolarHBondContact OG1-CB 3.09Å; T58-N60 PolarHBondContact OG1-N 3.09Å; T58-N60 VanDerWaalsContact OG1-N 3.14Å; N60-N74 PolarHBondContact O-ND2 3.47Å
61	I	93.4	Very high	79.8	Confident	37 Å²	37	88.9 Å²	88.9	19%	0.19	43%	0.431	C	S	.	.			trans	-104.1	111.6	174.8	-60.3	168.1	0	0	0	106.1	L68 L70 N74 R77 A78	I61-L68 HydrophobicContact CG2-CB 3.85Å; I61-L68 HydrophobicContact CG2-CD1 4.41Å; I61-L68 HydrophobicContact CG2-CD2 3.89Å; I61-L68 HydrophobicContact CG2-CG 4.26Å; I61-L70 HydrophobicContact CG2-CD2 4.03Å; I61-N74 HydrophobicContact CG1-CB 3.82Å; I61-R77 HydrophobicContact CD1-CB 4.49Å; I61-R77 HydrophobicContact CD1-CG 4.25Å; I61-A78 HydrophobicContact CD1-CB 3.89Å
62	E	94.6	Very high	82.6	Confident	99 Å²	99	82.9 Å²	82.9	46%	0.463	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	151.7	171.3	-63.9	-175.9	173.3	0	0	109.2	K55 V69	K55-E62 IonicContact NZ-OE2 2.73Å; K55-E62 PolarHBondContact NZ-OE2 3.49Å; E62-V69 HydrophobicContact CB-CB 4.37Å; E62-V69 PolarHBondContact O-N 2.88Å
63	E	94.4	Very high	85.2	Confident	88 Å²	88	78 Å²	78	41%	0.411	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	134.8	170.8	-59.6	-163.5	-177.2	0	0	110	I67 L68 K112 R119	E63-I67 CarbonylContact C-O 3.39Å; E63-I67 VanDerWaalsContact CA-O 3.31Å; E63-I67 WeakPolarHBondContact CA-O 3.46Å; E63-L68 HydrophobicContact CG-CD2 3.68Å; E63-L68 VanDerWaalsContact OE1-CD2 3.31Å; E63-L68 WeakPolarHBondContact OE1-CD2 2.9Å; E63-K112 IonicContact OE2-NZ 3.98Å; E63-K112 PolarHBondContact OE2-NZ 3.01Å; E63-R119 IonicContact OE1-CZ 3.6Å; E63-R119 IonicContact OE1-NH1 2.83Å; E63-R119 IonicContact OE1-NH2 2.96Å; E63-R119 PolarHBondContact OE1-NH2 3.48Å; E63-R119 IonicContact OE2-NH2 3.65Å; E63-R119 PolarHBondContact OE2-NH2 3.03Å; E63-R119 VanDerWaalsContact OE2-NH2 3.17Å
64	E	94.1	Very high	87.8	Confident	79 Å²	79	72.3 Å²	72.3	37%	0.369	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	114.1	171.3	-71.2	-177.3	-174.3	0	0	108.4	D66 I67 V69 K122	E64-D66 VanDerWaalsContact C-N 3.31Å; E64-D66 PolarHBondContact O-N 2.87Å; E64-I67 PolarHBondContact N-O 2.99Å; E64-I67 WeakPolarHBondContact O-CB 3.47Å; E64-I67 PolarHBondContact O-N 3.14Å; E64-I67 VanDerWaalsContact O-N 3.09Å; E64-V69 HydrophobicContact CB-CG2 4.17Å; E64-V69 HydrophobicContact CG-CG2 3.81Å; E64-K122 WeakPolarHBondContact OE2-CE 3.41Å; E64-K122 IonicContact OE2-NZ 2.64Å; E64-K122 PolarHBondContact OE2-NZ 3.4Å
65	K	93.4	Very high	89.9	Confident	126 Å²	126	63.5 Å²	63.5	55%	0.548	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	49.9	-175.5	-53.7	172.5	-176.4	164.7	0	112.1	I67 E101 A105	K65-I67 PolarHBondContact O-N 3.38Å; K65-E101 IonicContact NZ-OE1 2.72Å; K65-E101 PolarHBondContact NZ-OE1 3.34Å; K65-A105 HydrophobicContact CB-CB 4.04Å; K65-A105 HydrophobicContact CD-CB 3.93Å
66	D	93.7	Very high	91.5	Very high	58 Å²	58	61.6 Å²	61.6	31%	0.31	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.9	2.9	-178.6	-58.8	-65.9	0	0	0	116.5	E64 A108 K112 R119	E64-D66 VanDerWaalsContact C-N 3.31Å; E64-D66 PolarHBondContact O-N 2.87Å; D66-A108 HydrophobicContact CB-CB 4.35Å; D66-K112 HydrophobicContact CB-CD 3.88Å; D66-K112 WeakPolarHBondContact OD1-CD 3.44Å; D66-K112 IonicContact OD1-NZ 3.59Å; D66-K112 PolarHBondContact OD1-NZ 3.49Å; D66-R119 PolarHBondContact O-NH2 3.2Å
67	I	97.1	Very high	92.9	Very high	4 Å²	4	58.3 Å²	58.3	2%	0.021	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	127.6	175.1	-57.6	156.8	0	0	0	109.4	E63 E64 K65 V69 Y104 A105 A108 K122	E63-I67 CarbonylContact C-O 3.39Å; E63-I67 VanDerWaalsContact CA-O 3.31Å; E63-I67 WeakPolarHBondContact CA-O 3.46Å; E64-I67 PolarHBondContact N-O 2.99Å; E64-I67 WeakPolarHBondContact O-CB 3.47Å; E64-I67 PolarHBondContact O-N 3.14Å; E64-I67 VanDerWaalsContact O-N 3.09Å; K65-I67 PolarHBondContact O-N 3.38Å; I67-V69 PolarHBondContact O-N 2.96Å; I67-Y104 HydrophobicContact CD1-CD1 3.71Å; I67-Y104 HydrophobicContact CD1-CE1 4.34Å; I67-Y104 HydrophobicContact CG1-CD1 4.1Å; I67-Y104 HydrophobicContact CG1-CE1 4.3Å; I67-Y104 HydrophobicContact CG2-CD1 4.37Å; I67-Y104 HydrophobicContact CG2-CE1 3.93Å; I67-A105 HydrophobicContact CD1-CB 4.06Å; I67-A108 HydrophobicContact CG1-CB 3.63Å; I67-K122 HydrophobicContact CG2-CB 4.02Å; I67-K122 HydrophobicContact CG2-CD 4.15Å; I67-K122 HydrophobicContact CG2-CG 3.86Å
68	L	97.2	Very high	93.9	Very high	6 Å²	6	54.1 Å²	54.1	3%	0.031	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	130.3	175.4	-52.5	-176.4	0	0	0	110.6	I61 E63 L70 A78 L85 R119 L120 A121 K122	I61-L68 HydrophobicContact CG2-CB 3.85Å; I61-L68 HydrophobicContact CG2-CD1 4.41Å; I61-L68 HydrophobicContact CG2-CD2 3.89Å; I61-L68 HydrophobicContact CG2-CG 4.26Å; E63-L68 HydrophobicContact CG-CD2 3.68Å; E63-L68 VanDerWaalsContact OE1-CD2 3.31Å; E63-L68 WeakPolarHBondContact OE1-CD2 2.9Å; L68-L70 HydrophobicContact CB-CD2 3.96Å; L68-L70 HydrophobicContact CB-CG 4.31Å; L68-A78 HydrophobicContact CD1-CB 4.48Å; L68-L85 HydrophobicContact CD1-CD1 3.99Å; L68-R119 VanDerWaalsContact CD2-NH2 3.3Å; L68-L120 PolarHBondContact N-O 2.73Å; L68-A121 HydrophobicContact CB-CB 3.91Å; L68-A121 CarbonylContact O-C 3.59Å; L68-A121 WeakPolarHBondContact O-CA 3.45Å; L68-K122 PolarHBondContact O-N 3.28Å
69	V	97.4	Very high	94.6	Very high	31 Å²	31	51.8 Å²	51.8	19%	0.188	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	109.7	173.7	-174.6	0	0	0	0	108.9	E62 E64 I67 N74	E62-V69 HydrophobicContact CB-CB 4.37Å; E62-V69 PolarHBondContact O-N 2.88Å; E64-V69 HydrophobicContact CB-CG2 4.17Å; E64-V69 HydrophobicContact CG-CG2 3.81Å; I67-V69 PolarHBondContact O-N 2.96Å; V69-N74 PolarHBondContact O-ND2 2.94Å
70	L	97.4	Very high	95	Very high	4 Å²	4	51.7 Å²	51.7	2%	0.021	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	145.3	-173.3	-56.2	-174.1	0	0	0	112.3	I61 L68 N74 F75 A78 L85 V87 A121 K122 V123	I61-L70 HydrophobicContact CG2-CD2 4.03Å; L68-L70 HydrophobicContact CB-CD2 3.96Å; L68-L70 HydrophobicContact CB-CG 4.31Å; L70-N74 WeakPolarHBondContact CA-OD1 3.44Å; L70-F75 HydrophobicContact CB-CD2 4.03Å; L70-F75 HydrophobicContact CD1-CD2 3.83Å; L70-F75 HydrophobicContact CD1-CE2 3.92Å; L70-A78 HydrophobicContact CD1-CB 3.88Å; L70-A78 HydrophobicContact CD2-CB 3.45Å; L70-A78 VanDerWaalsContact CD2-CB 3.45Å; L70-A78 HydrophobicContact CG-CB 4.34Å; L70-L85 HydrophobicContact CD1-CD2 4.08Å; L70-V87 HydrophobicContact CD1-CG2 4.49Å; L70-A121 HydrophobicContact CD1-CB 3.48Å; L70-A121 VanDerWaalsContact CD1-CB 3.48Å; L70-A121 HydrophobicContact CG-CB 3.84Å; L70-K122 PolarHBondContact N-O 2.91Å; L70-V123 HydrophobicContact CB-CG2 3.77Å
71	H	95.2	Very high	95.1	Very high	26 Å²	26	52 Å²	52	12%	0.12	26%	0.259	C	S	.	.			trans	-145.7	169.3	173.2	54.5	41.8	0	0	0	109.2	K57 T58 N73 N74 F75 E128	K57-H71 HydrophobicContact CD-CB 4.46Å; T58-H71 PolarHBondContact O-CE1 3.3Å; T58-H71 PolarHBondContact O-NE2 3.36Å; H71-N73 PolarHBondContact ND1-N 3.27Å; H71-N73 PolarHBondContact O-N 3.02Å; H71-N74 PolarHBondContact CE1-ND2 3.06Å; H71-N74 PolarHBondContact N-OD1 2.98Å; H71-N74 VanDerWaalsContact ND1-CG 3.31Å; H71-N74 PolarHBondContact ND1-N 3.47Å; H71-N74 PolarHBondContact ND1-OD1 3.07Å; H71-N74 PolarHBondContact NE2-ND2 3.48Å; H71-N74 PolarHBondContact O-N 2.82Å; H71-N74 PolarHBondContact O-OD1 3.22Å; H71-F75 PolarHBondContact O-N 3.01Å; H71-F75 VanDerWaalsContact O-N 3.09Å; H71-E128 HydrophobicContact CB-CG 4.07Å; H71-E128 WeakPolarHBondContact CB-OE1 3.46Å
72	I	94.8	Very high	95.1	Very high	39 Å²	39	51.3 Å²	51.3	20%	0.2	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50	-36.2	-173	-167.7	64.2	0	0	0	114.3	K57 N74 E128 L131	K57-I72 HydrophobicContact CD-CG2 4.36Å; I72-N74 PolarHBondContact O-N 3.1Å; I72-E128 PolarHBondContact N-OE2 3.49Å; I72-L131 HydrophobicContact CB-CG 4.43Å; I72-L131 HydrophobicContact CD1-CD2 3.5Å; I72-L131 HydrophobicContact CD1-CG 3.85Å
73	N	94.9	Very high	95	Very high	87 Å²	87	51.3 Å²	51.3	47%	0.465	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-15.4	-176.6	-67.7	-12.3	0	0	0	115.6	K57 T58 H71	K57-N73 WeakPolarHBondContact CB-ND2 3.42Å; K57-N73 PolarHBondContact O-ND2 3.23Å; K57-N73 VanDerWaalsContact O-ND2 3.12Å; T58-N73 WeakPolarHBondContact O-CB 3.34Å; H71-N73 PolarHBondContact ND1-N 3.27Å; H71-N73 PolarHBondContact O-N 3.02Å
74	N	96.2	Very high	95.1	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.005	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.9	-4.8	-178.8	70.5	7.9	0	0	0	113.4	N60 I61 V69 L70 H71 I72 D76 R77 A78	N60-N74 PolarHBondContact O-ND2 3.47Å; I61-N74 HydrophobicContact CG1-CB 3.82Å; V69-N74 PolarHBondContact O-ND2 2.94Å; L70-N74 WeakPolarHBondContact CA-OD1 3.44Å; H71-N74 PolarHBondContact CE1-ND2 3.06Å; H71-N74 PolarHBondContact N-OD1 2.98Å; H71-N74 VanDerWaalsContact ND1-CG 3.31Å; H71-N74 PolarHBondContact ND1-N 3.47Å; H71-N74 PolarHBondContact ND1-OD1 3.07Å; H71-N74 PolarHBondContact NE2-ND2 3.48Å; H71-N74 PolarHBondContact O-N 2.82Å; H71-N74 PolarHBondContact O-OD1 3.22Å; I72-N74 PolarHBondContact O-N 3.1Å; N74-D76 PolarHBondContact O-N 3.09Å; N74-R77 WeakPolarHBondContact O-CB 3.33Å; N74-R77 PolarHBondContact O-N 3.11Å; N74-A78 PolarHBondContact O-N 2.8Å
75	F	96.7	Very high	95.2	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-59.3	-49.9	-175.4	-162.3	-95.2	0	0	0	112.3	L70 H71 R77 A78 L79 V87 V123 L131 F135 F146	L70-F75 HydrophobicContact CB-CD2 4.03Å; L70-F75 HydrophobicContact CD1-CD2 3.83Å; L70-F75 HydrophobicContact CD1-CE2 3.92Å; H71-F75 PolarHBondContact O-N 3.01Å; H71-F75 VanDerWaalsContact O-N 3.09Å; F75-R77 VanDerWaalsContact C-N 3.25Å; F75-R77 PolarHBondContact O-N 3.41Å; F75-A78 WeakPolarHBondContact O-CB 3.31Å; F75-A78 PolarHBondContact O-N 3.34Å; F75-A78 VanDerWaalsContact O-N 3.1Å; F75-L79 HydrophobicContact CD1-CD1 3.8Å; F75-L79 HydrophobicContact CD1-CG 3.99Å; F75-L79 HydrophobicContact CE1-CD1 3.63Å; F75-L79 HydrophobicContact CE1-CD2 4.06Å; F75-L79 HydrophobicContact CE1-CG 3.88Å; F75-L79 HydrophobicContact CZ-CD2 4.43Å; F75-L79 WeakPolarHBondContact O-CG 3.47Å; F75-L79 PolarHBondContact O-N 2.77Å; F75-V87 HydrophobicContact CE2-CG1 4.34Å; F75-V87 HydrophobicContact CE2-CG2 4.47Å; F75-V123 HydrophobicContact CD2-CG2 4.33Å; F75-V123 HydrophobicContact CE2-CG2 4.05Å; F75-L131 HydrophobicContact CB-CD1 4.42Å; F75-L131 HydrophobicContact CB-CD2 4.35Å; F75-L131 HydrophobicContact CD1-CD2 4.26Å; F75-L131 HydrophobicContact CD2-CD1 3.85Å; F75-L131 HydrophobicContact CD2-CD2 4.29Å; F75-L131 HydrophobicContact CE2-CD1 4.45Å; F75-L131 HydrophobicContact CG-CD1 4.26Å; F75-L131 HydrophobicContact CG-CD2 4.05Å; F75-F135 HydrophobicContact CD1-CE2 4.44Å; F75-F135 HydrophobicContact CD1-CZ 4.45Å; F75-F135 AromaticContact CE1-CE2 3.6Å; F75-F135 HydrophobicContact CE1-CE2 3.6Å; F75-F135 AromaticContact CE1-CZ 3.57Å; F75-F135 HydrophobicContact CE1-CZ 3.57Å; F75-F135 HydrophobicContact CE2-CE2 4.36Å; F75-F135 AromaticContact CZ-CE2 3.57Å; F75-F135 HydrophobicContact CZ-CE2 3.57Å; F75-F135 AromaticContact CZ-CZ 3.93Å; F75-F135 HydrophobicContact CZ-CZ 3.93Å; F75-F146 HydrophobicContact CE1-CE1 4.04Å; F75-F146 HydrophobicContact CE1-CZ 4.09Å; F75-F146 HydrophobicContact CZ-CE1 4.06Å; F75-F146 AromaticContact CZ-CE2 3.92Å; F75-F146 HydrophobicContact CZ-CE2 3.92Å; F75-F146 AromaticContact CZ-CZ 3.64Å; F75-F146 HydrophobicContact CZ-CZ 3.64Å
76	D	95.1	Very high	95.4	Very high	94 Å²	94	38 Å²	38	50%	0.503	20%	0.195	S	C	.	.	H	α-helix	trans	-60.1	-37	179.4	-71.6	-41.7	0	0	0	112.7	N74 L79 S80 R151	N74-D76 PolarHBondContact O-N 3.09Å; D76-L79 PolarHBondContact O-N 3.39Å; D76-S80 WeakPolarHBondContact O-CB 3.45Å; D76-S80 PolarHBondContact O-N 3.22Å; D76-S80 PolarHBondContact O-OG 2.87Å; D76-R151 IonicContact OD1-CZ 3.54Å; D76-R151 IonicContact OD1-NH1 3.46Å; D76-R151 PolarHBondContact OD1-NH1 2.82Å; D76-R151 IonicContact OD2-NH1 2.66Å; D76-R151 PolarHBondContact OD2-NH1 3.5Å; D76-R151 VanDerWaalsContact OD2-NH1 3.17Å
77	R	95	Very high	95.7	Very high	107 Å²	107	35.3 Å²	35.3	40%	0.404	18%	0.18	S	C	.	.	H	α-helix	trans	-65.2	-47.3	176.2	-177.7	179.4	173	-150.9	-13.5	110.4	T59 I61 N74 F75 L79 S80 E81	T59-R77 PolarHBondContact O-NH1 2.87Å; I61-R77 HydrophobicContact CD1-CB 4.49Å; I61-R77 HydrophobicContact CD1-CG 4.25Å; N74-R77 WeakPolarHBondContact O-CB 3.33Å; N74-R77 PolarHBondContact O-N 3.11Å; F75-R77 VanDerWaalsContact C-N 3.25Å; F75-R77 PolarHBondContact O-N 3.41Å; R77-L79 VanDerWaalsContact C-N 3.29Å; R77-L79 PolarHBondContact O-N 2.76Å; R77-S80 PolarHBondContact O-N 3.39Å; R77-S80 VanDerWaalsContact O-N 3.09Å; R77-S80 PolarHBondContact O-OG 3.49Å; R77-E81 HydrophobicContact CG-CG 4.3Å; R77-E81 IonicContact CZ-OE1 3.17Å; R77-E81 VanDerWaalsContact CZ-OE1 3.31Å; R77-E81 IonicContact NE-OE1 2.73Å; R77-E81 PolarHBondContact NE-OE1 2.64Å; R77-E81 IonicContact NE-OE2 2.68Å; R77-E81 IonicContact NH2-OE1 2.84Å; R77-E81 PolarHBondContact NH2-OE1 3.13Å; R77-E81 IonicContact NH2-OE2 2.68Å; R77-E81 WeakPolarHBondContact O-CG 3.47Å; R77-E81 PolarHBondContact O-N 3.48Å
78	A	95.7	Very high	95.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-59.4	-40.8	177	0	0	0	0	0	112	I61 L68 L70 N74 F75 S80 E81 N82 L85	I61-A78 HydrophobicContact CD1-CB 3.89Å; L68-A78 HydrophobicContact CD1-CB 4.48Å; L70-A78 HydrophobicContact CD1-CB 3.88Å; L70-A78 HydrophobicContact CD2-CB 3.45Å; L70-A78 VanDerWaalsContact CD2-CB 3.45Å; L70-A78 HydrophobicContact CG-CB 4.34Å; N74-A78 PolarHBondContact O-N 2.8Å; F75-A78 WeakPolarHBondContact O-CB 3.31Å; F75-A78 PolarHBondContact O-N 3.34Å; F75-A78 VanDerWaalsContact O-N 3.1Å; A78-S80 VanDerWaalsContact C-N 3.34Å; A78-S80 PolarHBondContact O-N 2.92Å; A78-E81 PolarHBondContact O-N 3.34Å; A78-N82 PolarHBondContact O-N 2.98Å; A78-N82 PolarHBondContact O-ND2 2.99Å; A78-L85 HydrophobicContact CB-CD2 4.14Å
79	L	95.4	Very high	95.8	Very high	5 Å²	5	35.1 Å²	35.1	3%	0.026	18%	0.179	C	C	.	.	H	α-helix	trans	-62	-39.8	173.7	-69	-172.5	0	0	0	112.9	F75 D76 R77 L85 F146 G149 R151	F75-L79 HydrophobicContact CD1-CD1 3.8Å; F75-L79 HydrophobicContact CD1-CG 3.99Å; F75-L79 HydrophobicContact CE1-CD1 3.63Å; F75-L79 HydrophobicContact CE1-CD2 4.06Å; F75-L79 HydrophobicContact CE1-CG 3.88Å; F75-L79 HydrophobicContact CZ-CD2 4.43Å; F75-L79 WeakPolarHBondContact O-CG 3.47Å; F75-L79 PolarHBondContact O-N 2.77Å; D76-L79 PolarHBondContact O-N 3.39Å; R77-L79 VanDerWaalsContact C-N 3.29Å; R77-L79 PolarHBondContact O-N 2.76Å; L79-L85 HydrophobicContact CD2-CD2 3.91Å; L79-F146 HydrophobicContact CD1-CD1 4.24Å; L79-F146 HydrophobicContact CD2-CB 3.41Å; L79-F146 VanDerWaalsContact CD2-CB 3.41Å; L79-F146 HydrophobicContact CD2-CD1 3.6Å; L79-F146 HydrophobicContact CD2-CD2 4.15Å; L79-F146 HydrophobicContact CD2-CE1 4.4Å; L79-F146 HydrophobicContact CD2-CG 3.45Å; L79-F146 VanDerWaalsContact CD2-CG 3.45Å; L79-G149 WeakPolarHBondContact O-CA 3.48Å; L79-R151 HydrophobicContact CD1-CB 3.62Å; L79-R151 HydrophobicContact CD1-CG 3.84Å
80	S	93.1	Very high	95.8	Very high	93 Å²	93	36 Å²	36	65%	0.65	18%	0.18	S	C	*	.	H	α-helix	trans	-75.3	-27.7	-178.6	71.5	0	0	0	0	114.2	D76 R77 A78	D76-S80 WeakPolarHBondContact O-CB 3.45Å; D76-S80 PolarHBondContact O-N 3.22Å; D76-S80 PolarHBondContact O-OG 2.87Å; R77-S80 PolarHBondContact O-N 3.39Å; R77-S80 VanDerWaalsContact O-N 3.09Å; R77-S80 PolarHBondContact O-OG 3.49Å; A78-S80 VanDerWaalsContact C-N 3.34Å; A78-S80 PolarHBondContact O-N 2.92Å
81	E	93.2	Very high	95.7	Very high	108 Å²	108	35.8 Å²	35.8	51%	0.505	18%	0.179	S	C	.	.	H	α-helix	trans	-89.3	-9.8	-176.3	-71.6	-177.9	176.9	0	0	113	R77 A78	R77-E81 HydrophobicContact CG-CG 4.3Å; R77-E81 IonicContact CZ-OE1 3.17Å; R77-E81 VanDerWaalsContact CZ-OE1 3.31Å; R77-E81 IonicContact NE-OE1 2.73Å; R77-E81 PolarHBondContact NE-OE1 2.64Å; R77-E81 IonicContact NE-OE2 2.68Å; R77-E81 IonicContact NH2-OE1 2.84Å; R77-E81 PolarHBondContact NH2-OE1 3.13Å; R77-E81 IonicContact NH2-OE2 2.68Å; R77-E81 WeakPolarHBondContact O-CG 3.47Å; R77-E81 PolarHBondContact O-N 3.48Å; A78-E81 PolarHBondContact O-N 3.34Å
82	N	92.3	Very high	95.6	Very high	22 Å²	22	37.7 Å²	37.7	12%	0.118	19%	0.193	C	C	.	.			trans	-130.3	130.3	-173.7	-59.3	-75.3	0	0	0	111.7	A78 L85 R119	A78-N82 PolarHBondContact O-N 2.98Å; A78-N82 PolarHBondContact O-ND2 2.99Å; N82-L85 HydrophobicContact CB-CB 4.32Å; N82-L85 HydrophobicContact CB-CD1 4.25Å; N82-R119 WeakPolarHBondContact OD1-CG 3.33Å
83	E	93.5	Very high	95.4	Very high	99 Å²	99	43.9 Å²	43.9	46%	0.463	21%	0.214	S	C	.	.	S	Bend	trans	-71.6	-46.4	-179.2	-165.5	-178.1	166.9	0	0	111.6	I147 N148	E83-I147 CarbonylContact O-C 3.52Å; E83-I147 WeakPolarHBondContact O-CA 3.38Å; E83-N148 VanDerWaalsContact CG-OD1 3.31Å; E83-N148 WeakPolarHBondContact CG-OD1 3.41Å; E83-N148 PolarHBondContact O-N 2.74Å
84	F	95.3	Very high	95.3	Very high	14 Å²	14	40.3 Å²	40.3	6%	0.061	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	110.8	175.4	-61.8	-88	0	0	0	109.5	G117 I118 R119 I147 M170 R173 A174	F84-G117 PolarHBondContact N-O 3.26Å; F84-I118 HydrophobicContact CB-CB 4.46Å; F84-I118 HydrophobicContact CB-CG1 4.12Å; F84-I118 HydrophobicContact CB-CG2 4.38Å; F84-I118 HydrophobicContact CD2-CG1 4.46Å; F84-I118 WeakPolarHBondContact O-CA 3.41Å; F84-R119 PolarHBondContact O-N 3.12Å; F84-I147 HydrophobicContact CD1-CB 4.48Å; F84-I147 HydrophobicContact CD1-CD1 4.26Å; F84-I147 HydrophobicContact CD1-CG1 3.91Å; F84-I147 HydrophobicContact CD1-CG2 4.09Å; F84-I147 HydrophobicContact CE1-CB 4.45Å; F84-I147 HydrophobicContact CE1-CD1 4.11Å; F84-I147 HydrophobicContact CE1-CG1 4.1Å; F84-I147 HydrophobicContact CE1-CG2 3.64Å; F84-I147 HydrophobicContact CZ-CG2 4.26Å; F84-M170 HydrophobicContact CB-CE 4.17Å; F84-R173 WeakPolarHBondContact CE1-O 3.32Å; F84-A174 HydrophobicContact CD1-CB 4.49Å; F84-A174 HydrophobicContact CD2-CB 3.95Å; F84-A174 HydrophobicContact CE1-CB 4.42Å; F84-A174 HydrophobicContact CE2-CB 3.87Å; F84-A174 HydrophobicContact CG-CB 4.29Å; F84-A174 VanDerWaalsContact CZ-CA 3.48Å; F84-A174 HydrophobicContact CZ-CB 4.15Å
85	L	97.2	Very high	95.2	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	108.1	-179.7	-169.6	69.2	0	0	0	110.5	L68 L70 A78 L79 N82 V87 R119 A121 V145 F146	L68-L85 HydrophobicContact CD1-CD1 3.99Å; L70-L85 HydrophobicContact CD1-CD2 4.08Å; A78-L85 HydrophobicContact CB-CD2 4.14Å; L79-L85 HydrophobicContact CD2-CD2 3.91Å; N82-L85 HydrophobicContact CB-CB 4.32Å; N82-L85 HydrophobicContact CB-CD1 4.25Å; L85-V87 HydrophobicContact CD2-CG2 3.96Å; L85-V87 HydrophobicContact CG-CG2 3.92Å; L85-R119 WeakPolarHBondContact CA-O 3.32Å; L85-R119 HydrophobicContact CD1-CB 3.85Å; L85-A121 HydrophobicContact CD1-CB 3.99Å; L85-A121 HydrophobicContact CD2-CB 4.5Å; L85-A121 HydrophobicContact CG-CB 4.28Å; L85-V145 WeakPolarHBondContact O-CA 3.34Å; L85-F146 HydrophobicContact CB-CB 4.4Å; L85-F146 PolarHBondContact N-O 2.93Å; L85-F146 PolarHBondContact O-N 3.5Å
86	L	97.9	Very high	94.9	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	122.5	169.5	175.6	62	0	0	0	108.3	Y104 R119 L120 A121 L143 V145 Y157 I166 M170	L86-Y104 HydrophobicContact CD2-CE2 3.78Å; L86-Y104 HydrophobicContact CG-CE2 4.02Å; L86-Y104 PolarHBondContact O-OH 3.21Å; L86-R119 PolarHBondContact N-O 3.39Å; L86-L120 HydrophobicContact CB-CD1 4.32Å; L86-L120 HydrophobicContact CB-CG 4.23Å; L86-L120 HydrophobicContact CD2-CD1 4.36Å; L86-L120 HydrophobicContact CD2-CD2 4.39Å; L86-L120 HydrophobicContact CD2-CG 4.13Å; L86-L120 HydrophobicContact CG-CG 4.44Å; L86-L120 CarbonylContact O-C 3.51Å; L86-L120 WeakPolarHBondContact O-CA 3.49Å; L86-A121 PolarHBondContact O-N 3.48Å; L86-L143 HydrophobicContact CD1-CB 4.19Å; L86-L143 HydrophobicContact CD1-CD2 4.13Å; L86-L143 HydrophobicContact CG-CD2 4.43Å; L86-V145 HydrophobicContact CB-CG2 4.36Å; L86-V145 HydrophobicContact CD1-CG2 3.51Å; L86-Y157 HydrophobicContact CD1-CD2 4.3Å; L86-Y157 HydrophobicContact CD1-CG 4.45Å; L86-I166 HydrophobicContact CD2-CG2 3.5Å; L86-M170 HydrophobicContact CB-CE 3.86Å; L86-M170 HydrophobicContact CB-SD 3.97Å; L86-M170 HydrophobicContact CD1-SD 4.46Å; L86-M170 HydrophobicContact CD2-CG 4.21Å; L86-M170 HydrophobicContact CD2-SD 4.14Å; L86-M170 HydrophobicContact CG-SD 4.42Å
87	V	98.4	Very high	94.9	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	123.5	-177.8	-174.2	0	0	0	0	109.9	L70 F75 L85 F89 A121 V123 L143 K144 F146	L70-V87 HydrophobicContact CD1-CG2 4.49Å; F75-V87 HydrophobicContact CE2-CG1 4.34Å; F75-V87 HydrophobicContact CE2-CG2 4.47Å; L85-V87 HydrophobicContact CD2-CG2 3.96Å; L85-V87 HydrophobicContact CG-CG2 3.92Å; V87-F89 HydrophobicContact CB-CE2 4.15Å; V87-F89 HydrophobicContact CG1-CD2 4.25Å; V87-F89 HydrophobicContact CG1-CE2 3.77Å; V87-F89 HydrophobicContact CG1-CZ 3.95Å; V87-A121 CarbonylContact C-O 3.59Å; V87-A121 WeakPolarHBondContact CA-O 3.26Å; V87-A121 HydrophobicContact CG1-CB 4.45Å; V87-A121 HydrophobicContact CG2-CB 4.09Å; V87-V123 HydrophobicContact CG1-CB 4.47Å; V87-V123 HydrophobicContact CG1-CG2 3.72Å; V87-L143 WeakPolarHBondContact O-CA 3.28Å; V87-K144 PolarHBondContact N-O 3.21Å; V87-K144 PolarHBondContact O-N 3.05Å; V87-F146 HydrophobicContact CB-CD2 4.34Å; V87-F146 HydrophobicContact CB-CE2 3.98Å; V87-F146 HydrophobicContact CG2-CD2 3.58Å; V87-F146 HydrophobicContact CG2-CE2 3.59Å
88	E	98.5	Very high	94.9	Very high	7 Å²	7	44.7 Å²	44.7	3%	0.033	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	118.8	167.7	-171.2	-168.9	-173.7	0	0	110.9	F100 Y104 A121 K122 V123 P141 L143	E88-F100 WeakPolarHBondContact OE1-CD1 3.35Å; E88-Y104 HydrophobicContact CB-CD1 4.48Å; E88-Y104 HydrophobicContact CB-CE1 3.94Å; E88-Y104 HydrophobicContact CB-CE2 4.45Å; E88-Y104 PolarHBondContact N-OH 3.36Å; E88-A121 PolarHBondContact N-O 3.05Å; E88-K122 HydrophobicContact CB-CB 4.43Å; E88-K122 CarbonylContact O-C 3.53Å; E88-K122 VanDerWaalsContact O-CA 3.27Å; E88-K122 WeakPolarHBondContact O-CA 3.49Å; E88-V123 PolarHBondContact O-N 2.82Å; E88-P141 HydrophobicContact CG-CB 3.98Å; E88-P141 WeakPolarHBondContact OE1-CB 3.03Å; E88-L143 HydrophobicContact CB-CD2 3.65Å; E88-L143 HydrophobicContact CG-CD2 3.94Å
89	F	98.4	Very high	94.8	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	117.4	164.4	-63.2	-92.5	0	0	0	108.7	V87 V123 L131 F135 V137 P141 T142 K144	V87-F89 HydrophobicContact CB-CE2 4.15Å; V87-F89 HydrophobicContact CG1-CD2 4.25Å; V87-F89 HydrophobicContact CG1-CE2 3.77Å; V87-F89 HydrophobicContact CG1-CZ 3.95Å; F89-V123 WeakPolarHBondContact CA-O 3.27Å; F89-V123 HydrophobicContact CD1-CB 3.71Å; F89-V123 HydrophobicContact CD1-CG1 3.77Å; F89-V123 HydrophobicContact CD1-CG2 4.36Å; F89-V123 HydrophobicContact CE1-CB 3.84Å; F89-V123 HydrophobicContact CE1-CG1 3.83Å; F89-V123 HydrophobicContact CE1-CG2 4Å; F89-V123 HydrophobicContact CG-CB 4.47Å; F89-V123 HydrophobicContact CZ-CG2 4.49Å; F89-L131 HydrophobicContact CE1-CB 4.29Å; F89-F135 AromaticContact CE1-CD2 3.83Å; F89-F135 HydrophobicContact CE1-CD2 3.83Å; F89-F135 HydrophobicContact CE2-CD2 4.34Å; F89-F135 HydrophobicContact CZ-CB 4.26Å; F89-F135 AromaticContact CZ-CD2 3.38Å; F89-F135 HydrophobicContact CZ-CD2 3.38Å; F89-F135 HydrophobicContact CZ-CE2 4.06Å; F89-F135 HydrophobicContact CZ-CG 4.11Å; F89-V137 HydrophobicContact CB-CG1 3.84Å; F89-V137 HydrophobicContact CB-CG2 3.86Å; F89-V137 HydrophobicContact CD1-CG2 3.82Å; F89-V137 HydrophobicContact CD2-CG2 4.03Å; F89-V137 HydrophobicContact CE1-CG2 4.39Å; F89-V137 HydrophobicContact CG-CG2 3.62Å; F89-P141 WeakPolarHBondContact O-CA 3.28Å; F89-T142 PolarHBondContact N-O 3.28Å; F89-T142 PolarHBondContact O-N 3.4Å; F89-K144 HydrophobicContact CE2-CB 4.3Å; F89-K144 HydrophobicContact CE2-CD 4.29Å; F89-K144 HydrophobicContact CE2-CG 4.45Å
90	Y	97.8	Very high	94.8	Very high	49 Å²	49	51.2 Å²	51.2	19%	0.192	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	169.5	-172.4	79.1	-78.4	0	0	0	112.3	P92 K122 V123 D124 A125	Y90-P92 HydrophobicContact CE2-CG 4.28Å; Y90-K122 HydrophobicContact CD1-CB 4.06Å; Y90-K122 HydrophobicContact CE1-CB 3.92Å; Y90-K122 HydrophobicContact CE1-CD 3.98Å; Y90-K122 HydrophobicContact CE1-CG 4.01Å; Y90-V123 WeakPolarHBondContact CD1-O 3.37Å; Y90-V123 PolarHBondContact N-O 3.46Å; Y90-D124 HydrophobicContact CE1-CB 4.05Å; Y90-A125 PolarHBondContact O-N 2.89Å
91	A	95.8	Very high	95	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.244	C	C	.	.			trans	-127.1	134.3	169.3	0	0	0	0	0	110.1	W93 C94 I126 F140	A91-W93 HydrophobicContact CB-CD2 4.24Å; A91-W93 HydrophobicContact CB-CZ2 3.93Å; A91-W93 PolarHBondContact O-N 2.83Å; A91-W93 VanDerWaalsContact O-N 3.07Å; A91-C94 HydrophobicContact CB-CB 4.21Å; A91-C94 WeakPolarHBondContact O-CB 3.17Å; A91-C94 PolarHBondContact O-N 3.15Å; A91-I126 HydrophobicContact CB-CD1 3.88Å; A91-I126 HydrophobicContact CB-CG1 3.7Å; A91-F140 HydrophobicContact CB-CD2 3.63Å; A91-F140 HydrophobicContact CB-CE2 3.81Å; A91-F140 HydrophobicContact CB-CG 4.02Å; A91-F140 HydrophobicContact CB-CZ 4.35Å
92	P	92.7	Very high	95.1	Very high	66 Å²	66	49 Å²	49	43%	0.429	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-23.6	-174.6	-27	34.3	0	0	0	115.4	Y90 K98 D124	Y90-P92 HydrophobicContact CE2-CG 4.28Å; P92-K98 WeakPolarHBondContact O-CE 3.42Å; P92-D124 WeakPolarHBondContact CD-OD2 3.34Å; P92-D124 WeakPolarHBondContact CG-OD2 3.26Å
93	W	90	Very high	95.3	Very high	168 Å²	168	50.4 Å²	50.4	64%	0.636	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-9.1	-180	49.8	-99.8	0	0	0	113.4	A91 G95 I126 F140	A91-W93 HydrophobicContact CB-CD2 4.24Å; A91-W93 HydrophobicContact CB-CZ2 3.93Å; A91-W93 PolarHBondContact O-N 2.83Å; A91-W93 VanDerWaalsContact O-N 3.07Å; W93-G95 PolarHBondContact O-N 3.11Å; W93-I126 HydrophobicContact CZ2-CD1 4.04Å; W93-F140 HydrophobicContact CH2-CD2 4.45Å; W93-F140 HydrophobicContact CZ2-CE2 4.49Å
94	C	93.9	Very high	95.5	Very high	12 Å²	12	45.7 Å²	45.7	8%	0.081	23%	0.229	C	C	.	.			trans	-74.5	122.9	-176.3	178.7	0	0	0	0	111.8	A91 C97 K98 F140	A91-C94 HydrophobicContact CB-CB 4.21Å; A91-C94 WeakPolarHBondContact O-CB 3.17Å; A91-C94 PolarHBondContact O-N 3.15Å; C94-C97 HydrophobicContact CB-CB 3.92Å; C94-C97 PolarHBondContact O-N 2.79Å; C94-K98 WeakPolarHBondContact O-CG 3.18Å; C94-K98 PolarHBondContact O-N 2.82Å; C94-K98 VanDerWaalsContact O-N 3.16Å; C94-F140 HydrophobicContact CB-CB 4.35Å
95	G	93.2	Very high	95.6	Very high	42 Å²	42	45.5 Å²	45.5	43%	0.433	23%	0.23	S	C	.	.	H	α-helix	trans	-59.3	-47.5	177.4	0	0	0	0	0	112.9	W93 C97 K98 E99	W93-G95 PolarHBondContact O-N 3.11Å; G95-C97 VanDerWaalsContact C-N 3.3Å; G95-C97 PolarHBondContact O-N 2.77Å; G95-K98 WeakPolarHBondContact O-CB 3.45Å; G95-K98 PolarHBondContact O-N 3.37Å; G95-K98 VanDerWaalsContact O-N 3.1Å; G95-E99 WeakPolarHBondContact O-CG 3.46Å; G95-E99 PolarHBondContact O-N 3.14Å
96	H	91.4	Very high	95.6	Very high	124 Å²	124	49.3 Å²	49.3	57%	0.574	25%	0.248	S	C	*	.	H	α-helix	trans	-62.8	-32.6	178.9	-62.2	-53.3	0	0	0	113.5	E99 F100	H96-E99 IonicContact ND1-OE2 3.94Å; H96-F100 WeakPolarHBondContact O-CB 3.24Å; H96-F100 PolarHBondContact O-N 3.15Å
97	C	94.9	Very high	95.5	Very high	6 Å²	6	49.3 Å²	49.3	4%	0.041	25%	0.248	C	C	.	.	H	α-helix	trans	-67.5	-43.4	173.2	-65.3	0	0	0	0	111.2	C94 G95 E99 F100 E101	C94-C97 HydrophobicContact CB-CB 3.92Å; C94-C97 PolarHBondContact O-N 2.79Å; G95-C97 VanDerWaalsContact C-N 3.3Å; G95-C97 PolarHBondContact O-N 2.77Å; C97-E99 VanDerWaalsContact C-N 3.32Å; C97-E99 PolarHBondContact O-N 3.1Å; C97-F100 PolarHBondContact O-N 3.25Å; C97-F100 VanDerWaalsContact O-N 3.16Å; C97-E101 PolarHBondContact O-N 3.07Å
98	K	94.3	Very high	95.4	Very high	122 Å²	122	49.5 Å²	49.5	53%	0.53	25%	0.249	S	C	.	.	H	α-helix	trans	-63.1	-38.9	177.4	-67.9	173.7	-176.9	175.9	0	112.1	P92 C94 G95 F100 P102	P92-K98 WeakPolarHBondContact O-CE 3.42Å; C94-K98 WeakPolarHBondContact O-CG 3.18Å; C94-K98 PolarHBondContact O-N 2.82Å; C94-K98 VanDerWaalsContact O-N 3.16Å; G95-K98 WeakPolarHBondContact O-CB 3.45Å; G95-K98 PolarHBondContact O-N 3.37Å; G95-K98 VanDerWaalsContact O-N 3.1Å; K98-F100 VanDerWaalsContact C-N 3.33Å; K98-P102 WeakPolarHBondContact O-CD 3.14Å
99	E	93.9	Very high	95.2	Very high	133 Å²	133	54.1 Å²	54.1	62%	0.621	27%	0.271	S	S	*	.	H	α-helix	trans	-67.4	-34.1	174.4	-71.6	170.6	179.6	0	0	112.2	G95 H96 C97 P102	G95-E99 WeakPolarHBondContact O-CG 3.46Å; G95-E99 PolarHBondContact O-N 3.14Å; H96-E99 IonicContact ND1-OE2 3.94Å; C97-E99 VanDerWaalsContact C-N 3.32Å; C97-E99 PolarHBondContact O-N 3.1Å; E99-P102 WeakPolarHBondContact O-CD 3.13Å; E99-P102 WeakPolarHBondContact O-CG 3.47Å
100	F	95.9	Very high	95	Very high	10 Å²	10	57.6 Å²	57.6	4%	0.044	29%	0.286	C	S	.	.	H	α-helix	trans	-82.3	-27.9	-178.2	-173.6	-115.9	0	0	0	113.8	E88 H96 C97 K98 I103 Y104 P141 L143 R161 I166	E88-F100 WeakPolarHBondContact OE1-CD1 3.35Å; H96-F100 WeakPolarHBondContact O-CB 3.24Å; H96-F100 PolarHBondContact O-N 3.15Å; C97-F100 PolarHBondContact O-N 3.25Å; C97-F100 VanDerWaalsContact O-N 3.16Å; K98-F100 VanDerWaalsContact C-N 3.33Å; F100-I103 HydrophobicContact CD2-CB 4.17Å; F100-I103 HydrophobicContact CD2-CD1 4.41Å; F100-I103 HydrophobicContact CD2-CG2 4.29Å; F100-I103 HydrophobicContact CE2-CB 4.33Å; F100-I103 HydrophobicContact CE2-CG2 3.99Å; F100-I103 WeakPolarHBondContact O-CB 3.41Å; F100-I103 PolarHBondContact O-N 3.43Å; F100-Y104 HydrophobicContact CD1-CD2 4.46Å; F100-Y104 HydrophobicContact CD1-CG 4.45Å; F100-Y104 AromaticContact CE1-CD2 3.43Å; F100-Y104 HydrophobicContact CE1-CD2 3.43Å; F100-Y104 VanDerWaalsContact CE1-CD2 3.43Å; F100-Y104 HydrophobicContact CE1-CE2 4.22Å; F100-Y104 AromaticContact CE1-CG 3.81Å; F100-Y104 HydrophobicContact CE1-CG 3.81Å; F100-Y104 AromaticContact CZ-CD2 3.66Å; F100-Y104 HydrophobicContact CZ-CD2 3.66Å; F100-Y104 HydrophobicContact CZ-CG 4.32Å; F100-Y104 PolarHBondContact O-N 3.17Å; F100-P141 HydrophobicContact CD1-CG 4.35Å; F100-L143 HydrophobicContact CE1-CD1 3.92Å; F100-L143 HydrophobicContact CE1-CD2 4.08Å; F100-L143 HydrophobicContact CE1-CG 4.42Å; F100-L143 HydrophobicContact CZ-CD1 3.78Å; F100-R161 HydrophobicContact CD2-CB 4.13Å; F100-R161 HydrophobicContact CE2-CB 3.71Å; F100-R161 HydrophobicContact CE2-CG 4.19Å; F100-I166 HydrophobicContact CE2-CD1 3.69Å; F100-I166 HydrophobicContact CZ-CD1 3.56Å
101	E	95.5	Very high	94.8	Very high	75 Å²	75	55.3 Å²	55.3	35%	0.35	28%	0.277	S	S	.	.	H	α-helix	trans	-47.5	-50	179.4	-167.1	-164.2	145.2	0	0	114.2	K65 C97 I103 Y104 A105	K65-E101 IonicContact NZ-OE1 2.72Å; K65-E101 PolarHBondContact NZ-OE1 3.34Å; C97-E101 PolarHBondContact O-N 3.07Å; E101-I103 VanDerWaalsContact C-N 3.32Å; E101-I103 PolarHBondContact O-N 2.83Å; E101-Y104 PolarHBondContact O-N 3.25Å; E101-A105 WeakPolarHBondContact O-CB 3.41Å; E101-A105 PolarHBondContact O-N 3.01Å
102	P	96.4	Very high	94.4	Very high	78 Å²	78	58.9 Å²	58.9	51%	0.506	29%	0.293	S	S	.	.	H	α-helix	trans	-63.2	-37.3	178.7	24.5	-34.6	0	0	0	112.8	K98 E99 E106	K98-P102 WeakPolarHBondContact O-CD 3.14Å; E99-P102 WeakPolarHBondContact O-CD 3.13Å; E99-P102 WeakPolarHBondContact O-CG 3.47Å; P102-E106 PolarHBondContact O-N 3.16Å; P102-E106 VanDerWaalsContact O-N 3.14Å
103	I	97.3	Very high	94.1	Very high	52 Å²	52	63.1 Å²	63.1	27%	0.267	31%	0.307	S	S	.	.	H	α-helix	trans	-65.1	-45.9	177.2	-62.4	171.3	0	0	0	109.7	F100 E101 E106 V107 V163 I166	F100-I103 HydrophobicContact CD2-CB 4.17Å; F100-I103 HydrophobicContact CD2-CD1 4.41Å; F100-I103 HydrophobicContact CD2-CG2 4.29Å; F100-I103 HydrophobicContact CE2-CB 4.33Å; F100-I103 HydrophobicContact CE2-CG2 3.99Å; F100-I103 WeakPolarHBondContact O-CB 3.41Å; F100-I103 PolarHBondContact O-N 3.43Å; E101-I103 VanDerWaalsContact C-N 3.32Å; E101-I103 PolarHBondContact O-N 2.83Å; I103-E106 PolarHBondContact O-N 3.05Å; I103-V107 VanDerWaalsContact O-CG2 3.32Å; I103-V107 WeakPolarHBondContact O-CG2 3.32Å; I103-V107 PolarHBondContact O-N 3.36Å; I103-V107 VanDerWaalsContact O-N 3.07Å; I103-V163 HydrophobicContact CG2-CG2 3.84Å; I103-I166 HydrophobicContact CG2-CD1 4.33Å
104	Y	97.6	Very high	93.8	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-66.8	-38.6	-177.3	-162	-114.8	0	0	0	112.4	I67 L86 E88 F100 E101 V107 A108 L120 A121 L143	I67-Y104 HydrophobicContact CD1-CD1 3.71Å; I67-Y104 HydrophobicContact CD1-CE1 4.34Å; I67-Y104 HydrophobicContact CG1-CD1 4.1Å; I67-Y104 HydrophobicContact CG1-CE1 4.3Å; I67-Y104 HydrophobicContact CG2-CD1 4.37Å; I67-Y104 HydrophobicContact CG2-CE1 3.93Å; L86-Y104 HydrophobicContact CD2-CE2 3.78Å; L86-Y104 HydrophobicContact CG-CE2 4.02Å; L86-Y104 PolarHBondContact O-OH 3.21Å; E88-Y104 HydrophobicContact CB-CD1 4.48Å; E88-Y104 HydrophobicContact CB-CE1 3.94Å; E88-Y104 HydrophobicContact CB-CE2 4.45Å; E88-Y104 PolarHBondContact N-OH 3.36Å; F100-Y104 HydrophobicContact CD1-CD2 4.46Å; F100-Y104 HydrophobicContact CD1-CG 4.45Å; F100-Y104 AromaticContact CE1-CD2 3.43Å; F100-Y104 HydrophobicContact CE1-CD2 3.43Å; F100-Y104 VanDerWaalsContact CE1-CD2 3.43Å; F100-Y104 HydrophobicContact CE1-CE2 4.22Å; F100-Y104 AromaticContact CE1-CG 3.81Å; F100-Y104 HydrophobicContact CE1-CG 3.81Å; F100-Y104 AromaticContact CZ-CD2 3.66Å; F100-Y104 HydrophobicContact CZ-CD2 3.66Å; F100-Y104 HydrophobicContact CZ-CG 4.32Å; F100-Y104 PolarHBondContact O-N 3.17Å; E101-Y104 PolarHBondContact O-N 3.25Å; Y104-V107 PolarHBondContact O-N 2.87Å; Y104-A108 PolarHBondContact O-N 3.29Å; Y104-L120 HydrophobicContact CD1-CD2 4.21Å; Y104-L120 HydrophobicContact CD2-CD2 3.66Å; Y104-L120 HydrophobicContact CE1-CB 4.01Å; Y104-L120 HydrophobicContact CE1-CD2 3.96Å; Y104-L120 HydrophobicContact CE1-CG 4.24Å; Y104-L120 HydrophobicContact CE2-CD2 3.39Å; Y104-L120 HydrophobicContact CE2-CG 3.88Å; Y104-L120 HydrophobicContact CG-CD2 4.07Å; Y104-L120 WeakPolarHBondContact O-CD2 3.41Å; Y104-A121 PolarHBondContact OH-N 2.84Å; Y104-A121 PolarHBondContact OH-O 3.18Å; Y104-L143 HydrophobicContact CD2-CD2 4.42Å; Y104-L143 HydrophobicContact CE2-CD2 3.76Å
105	A	96.9	Very high	93.2	Very high	11 Å²	11	63.5 Å²	63.5	9%	0.091	32%	0.315	C	S	.	.	H	α-helix	trans	-64.3	-43.9	174	0	0	0	0	0	112.3	K65 I67 E101 V107 A108 E109	K65-A105 HydrophobicContact CB-CB 4.04Å; K65-A105 HydrophobicContact CD-CB 3.93Å; I67-A105 HydrophobicContact CD1-CB 4.06Å; E101-A105 WeakPolarHBondContact O-CB 3.41Å; E101-A105 PolarHBondContact O-N 3.01Å; A105-V107 VanDerWaalsContact C-N 3.29Å; A105-V107 PolarHBondContact O-N 2.96Å; A105-A108 WeakPolarHBondContact O-CB 3.41Å; A105-A108 PolarHBondContact O-N 2.62Å; A105-A108 VanDerWaalsContact O-N 3.13Å; A105-E109 PolarHBondContact O-N 2.78Å
106	E	96.7	Very high	92.4	Very high	80 Å²	80	66 Å²	66	37%	0.374	33%	0.331	S	S	.	.	H	α-helix	trans	-62.2	-37.6	176.4	-171.5	-174.5	150.3	0	0	111.9	P102 I103 K110 V163	P102-E106 PolarHBondContact O-N 3.16Å; P102-E106 VanDerWaalsContact O-N 3.14Å; I103-E106 PolarHBondContact O-N 3.05Å; E106-K110 HydrophobicContact CG-CD 4.34Å; E106-K110 WeakPolarHBondContact O-CG 3.36Å; E106-K110 PolarHBondContact O-N 2.8Å; E106-K110 VanDerWaalsContact O-N 3.13Å; E106-K110 WeakPolarHBondContact OE1-CE 3.39Å; E106-K110 IonicContact OE1-NZ 3.46Å; E106-K110 PolarHBondContact OE1-NZ 2.9Å; E106-V163 HydrophobicContact CB-CG2 4.22Å; E106-V163 HydrophobicContact CG-CG1 4.24Å; E106-V163 HydrophobicContact CG-CG2 4.26Å
107	V	96.7	Very high	92.1	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-64.8	-42	173.8	173	0	0	0	0	111.3	I103 Y104 A105 K110 L111 L120 V163 I166 I167	I103-V107 VanDerWaalsContact O-CG2 3.32Å; I103-V107 WeakPolarHBondContact O-CG2 3.32Å; I103-V107 PolarHBondContact O-N 3.36Å; I103-V107 VanDerWaalsContact O-N 3.07Å; Y104-V107 PolarHBondContact O-N 2.87Å; A105-V107 VanDerWaalsContact C-N 3.29Å; A105-V107 PolarHBondContact O-N 2.96Å; V107-K110 PolarHBondContact O-N 2.92Å; V107-L111 HydrophobicContact CG1-CD1 3.58Å; V107-L111 HydrophobicContact CG1-CG 4.24Å; V107-L111 WeakPolarHBondContact O-CB 3.05Å; V107-L111 PolarHBondContact O-N 2.98Å; V107-L120 HydrophobicContact CB-CD2 3.92Å; V107-L120 HydrophobicContact CG1-CD1 4.22Å; V107-L120 HydrophobicContact CG1-CD2 3.59Å; V107-V163 HydrophobicContact CG2-CB 4.16Å; V107-V163 HydrophobicContact CG2-CG1 3.95Å; V107-V163 HydrophobicContact CG2-CG2 4.36Å; V107-I166 HydrophobicContact CG1-CB 4.18Å; V107-I166 HydrophobicContact CG1-CG2 3.7Å; V107-I166 HydrophobicContact CG2-CB 4.08Å; V107-I166 HydrophobicContact CG2-CD1 4.05Å; V107-I166 HydrophobicContact CG2-CG2 4.42Å; V107-I167 HydrophobicContact CG1-CG1 4.06Å; V107-I167 HydrophobicContact CG2-CG1 4.41Å
108	A	96	Very high	92	Very high	4 Å²	4	61.2 Å²	61.2	3%	0.033	32%	0.316	C	S	.	.	H	α-helix	trans	-62.7	-44.5	-179	0	0	0	0	0	111.2	D66 I67 Y104 A105 K112 L120	D66-A108 HydrophobicContact CB-CB 4.35Å; I67-A108 HydrophobicContact CG1-CB 3.63Å; Y104-A108 PolarHBondContact O-N 3.29Å; A105-A108 WeakPolarHBondContact O-CB 3.41Å; A105-A108 PolarHBondContact O-N 2.62Å; A105-A108 VanDerWaalsContact O-N 3.13Å; A108-K112 WeakPolarHBondContact O-CB 3.1Å; A108-K112 PolarHBondContact O-N 2.97Å; A108-L120 HydrophobicContact CB-CB 3.91Å; A108-L120 HydrophobicContact CB-CD2 3.91Å; A108-L120 HydrophobicContact CB-CG 4.41Å
109	E	94.7	Very high	92.1	Very high	105 Å²	105	57.2 Å²	57.2	49%	0.491	30%	0.297	S	S	.	.	H	α-helix	trans	-57.3	-55.5	174.1	-176.4	179.4	-177	0	0	110.9	A105 L111 K112 E113	A105-E109 PolarHBondContact O-N 2.78Å; E109-L111 PolarHBondContact O-N 2.97Å; E109-K112 PolarHBondContact O-N 2.88Å; E109-E113 PolarHBondContact O-N 2.78Å
110	K	94.4	Very high	92.3	Very high	73 Å²	73	50.9 Å²	50.9	32%	0.317	27%	0.268	S	S	.	.	H	α-helix	trans	-60.7	-44.9	-177.5	-74.6	175.7	172	173.5	0	113.5	E106 V107 E113 E114 V163 I167	E106-K110 HydrophobicContact CG-CD 4.34Å; E106-K110 WeakPolarHBondContact O-CG 3.36Å; E106-K110 PolarHBondContact O-N 2.8Å; E106-K110 VanDerWaalsContact O-N 3.13Å; E106-K110 WeakPolarHBondContact OE1-CE 3.39Å; E106-K110 IonicContact OE1-NZ 3.46Å; E106-K110 PolarHBondContact OE1-NZ 2.9Å; V107-K110 PolarHBondContact O-N 2.92Å; K110-E113 PolarHBondContact O-N 3.3Å; K110-E114 WeakPolarHBondContact O-CB 3.45Å; K110-E114 WeakPolarHBondContact O-CG 3.41Å; K110-E114 PolarHBondContact O-N 3.04Å; K110-V163 HydrophobicContact CD-CG1 3.93Å; K110-I167 HydrophobicContact CB-CD1 3.82Å; K110-I167 HydrophobicContact CD-CD1 3.68Å; K110-I167 HydrophobicContact CG-CD1 4.39Å
111	L	92	Very high	92.4	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-71.4	-34.3	-178.7	-73.6	173.5	0	0	0	112.4	V107 E109 E113 E114 E115 I118 L120 I167 M170 K171	V107-L111 HydrophobicContact CG1-CD1 3.58Å; V107-L111 HydrophobicContact CG1-CG 4.24Å; V107-L111 WeakPolarHBondContact O-CB 3.05Å; V107-L111 PolarHBondContact O-N 2.98Å; E109-L111 PolarHBondContact O-N 2.97Å; L111-E113 PolarHBondContact O-N 2.85Å; L111-E114 PolarHBondContact O-N 2.96Å; L111-E115 CarbonylContact O-C 3.53Å; L111-E115 PolarHBondContact O-N 2.88Å; L111-I118 HydrophobicContact CD1-CG2 3.87Å; L111-I118 HydrophobicContact CD2-CD1 4.27Å; L111-L120 HydrophobicContact CD1-CD1 3.73Å; L111-I167 HydrophobicContact CD1-CG1 4.42Å; L111-I167 HydrophobicContact CD2-CB 4.48Å; L111-I167 HydrophobicContact CD2-CG1 4.23Å; L111-I167 HydrophobicContact CD2-CG2 4.08Å; L111-I167 HydrophobicContact CG-CG1 4.11Å; L111-M170 HydrophobicContact CD1-CB 4.32Å; L111-M170 HydrophobicContact CD1-CG 4.4Å; L111-K171 HydrophobicContact CD2-CG 4.37Å
112	K	87.3	Confident	92.5	Very high	75 Å²	75	47.8 Å²	47.8	33%	0.326	25%	0.253	S	S	.	.	H	α-helix	trans	-62.8	-33.7	176.2	-172.6	172.6	-179.7	177.4	0	111.9	E63 D66 A108 E109	E63-K112 IonicContact OE2-NZ 3.98Å; E63-K112 PolarHBondContact OE2-NZ 3.01Å; D66-K112 HydrophobicContact CB-CD 3.88Å; D66-K112 WeakPolarHBondContact OD1-CD 3.44Å; D66-K112 IonicContact OD1-NZ 3.59Å; D66-K112 PolarHBondContact OD1-NZ 3.49Å; A108-K112 WeakPolarHBondContact O-CB 3.1Å; A108-K112 PolarHBondContact O-N 2.97Å; E109-K112 PolarHBondContact O-N 2.88Å
113	E	86.1	Confident	92.6	Very high	156 Å²	156	44 Å²	44	73%	0.729	23%	0.229	S	C	*	.	H	α-helix	trans	-78.1	-42.3	175.7	-67.1	-172.7	162.7	0	0	113.2	E109 K110 L111	E109-E113 PolarHBondContact O-N 2.78Å; K110-E113 PolarHBondContact O-N 3.3Å; L111-E113 PolarHBondContact O-N 2.85Å
114	E	85.3	Confident	92.6	Very high	105 Å²	105	42.5 Å²	42.5	49%	0.491	22%	0.222	S	C	.	.	H	α-helix	trans	-89.4	-32.6	-169.7	-66.5	178.9	-170.2	0	0	114.1	K110 L111 K171	K110-E114 WeakPolarHBondContact O-CB 3.45Å; K110-E114 WeakPolarHBondContact O-CG 3.41Å; K110-E114 PolarHBondContact O-N 3.04Å; L111-E114 PolarHBondContact O-N 2.96Å; E114-K171 WeakPolarHBondContact OE2-CE 3.35Å; E114-K171 IonicContact OE2-NZ 2.85Å; E114-K171 PolarHBondContact OE2-NZ 2.91Å
115	E	80.9	Confident	92.6	Very high	83 Å²	83	42.8 Å²	42.8	39%	0.388	22%	0.224	S	C	.	.			trans	-144.6	84.2	-170	-65	-68.8	177.7	0	0	110.8	L111 G117 I118 K171	L111-E115 CarbonylContact O-C 3.53Å; L111-E115 PolarHBondContact O-N 2.88Å; E115-G117 PolarHBondContact O-N 2.73Å; E115-I118 HydrophobicContact CB-CB 4.4Å; E115-I118 HydrophobicContact CB-CD1 3.81Å; E115-I118 HydrophobicContact CB-CG1 4.04Å; E115-I118 HydrophobicContact CG-CD1 4.16Å; E115-I118 PolarHBondContact O-N 3.29Å; E115-K171 HydrophobicContact CG-CD 4.4Å; E115-K171 HydrophobicContact CG-CG 4.27Å
116	A	76.9	Confident	92.6	Very high	93 Å²	93	45.7 Å²	45.7	77%	0.769	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-19.3	-173.9	0	0	0	0	0	115.2	I118	A116-I118 VanDerWaalsContact C-N 3.31Å
117	G	84.5	Confident	92.5	Very high	29 Å²	29	47.3 Å²	47.3	30%	0.299	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-10	175.2	0	0	0	0	0	114.8	F84 E115	F84-G117 PolarHBondContact N-O 3.26Å; E115-G117 PolarHBondContact O-N 2.73Å
118	I	93.2	Very high	92.5	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.01	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	121.8	-178.1	-51	175.9	0	0	0	110	F84 L111 E115 A116 M170 K171 A174	F84-I118 HydrophobicContact CB-CB 4.46Å; F84-I118 HydrophobicContact CB-CG1 4.12Å; F84-I118 HydrophobicContact CB-CG2 4.38Å; F84-I118 HydrophobicContact CD2-CG1 4.46Å; F84-I118 WeakPolarHBondContact O-CA 3.41Å; L111-I118 HydrophobicContact CD1-CG2 3.87Å; L111-I118 HydrophobicContact CD2-CD1 4.27Å; E115-I118 HydrophobicContact CB-CB 4.4Å; E115-I118 HydrophobicContact CB-CD1 3.81Å; E115-I118 HydrophobicContact CB-CG1 4.04Å; E115-I118 HydrophobicContact CG-CD1 4.16Å; E115-I118 PolarHBondContact O-N 3.29Å; A116-I118 VanDerWaalsContact C-N 3.31Å; I118-M170 HydrophobicContact CD1-CB 4.3Å; I118-M170 HydrophobicContact CG2-CB 4.21Å; I118-M170 HydrophobicContact CG2-CE 3.54Å; I118-M170 HydrophobicContact CG2-CG 4.49Å; I118-K171 HydrophobicContact CD1-CG 4.4Å; I118-A174 HydrophobicContact CD1-CB 3.65Å; I118-A174 HydrophobicContact CG1-CB 4.05Å
119	R	95.7	Very high	92.5	Very high	37 Å²	37	54.2 Å²	54.2	14%	0.14	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	154.4	176.3	-66.8	-60.1	-61.2	-82.5	3.4	112	E63 D66 L68 N82 F84 L85 L86	E63-R119 IonicContact OE1-CZ 3.6Å; E63-R119 IonicContact OE1-NH1 2.83Å; E63-R119 IonicContact OE1-NH2 2.96Å; E63-R119 PolarHBondContact OE1-NH2 3.48Å; E63-R119 IonicContact OE2-NH2 3.65Å; E63-R119 PolarHBondContact OE2-NH2 3.03Å; E63-R119 VanDerWaalsContact OE2-NH2 3.17Å; D66-R119 PolarHBondContact O-NH2 3.2Å; L68-R119 VanDerWaalsContact CD2-NH2 3.3Å; N82-R119 WeakPolarHBondContact OD1-CG 3.33Å; F84-R119 PolarHBondContact O-N 3.12Å; L85-R119 WeakPolarHBondContact CA-O 3.32Å; L85-R119 HydrophobicContact CD1-CB 3.85Å; L86-R119 PolarHBondContact N-O 3.39Å
120	L	97.7	Very high	92.6	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	145.7	176.9	-87.4	67.6	0	0	0	110	L68 L86 Y104 V107 A108 L111	L68-L120 PolarHBondContact N-O 2.73Å; L86-L120 HydrophobicContact CB-CD1 4.32Å; L86-L120 HydrophobicContact CB-CG 4.23Å; L86-L120 HydrophobicContact CD2-CD1 4.36Å; L86-L120 HydrophobicContact CD2-CD2 4.39Å; L86-L120 HydrophobicContact CD2-CG 4.13Å; L86-L120 HydrophobicContact CG-CG 4.44Å; L86-L120 CarbonylContact O-C 3.51Å; L86-L120 WeakPolarHBondContact O-CA 3.49Å; Y104-L120 HydrophobicContact CD1-CD2 4.21Å; Y104-L120 HydrophobicContact CD2-CD2 3.66Å; Y104-L120 HydrophobicContact CE1-CB 4.01Å; Y104-L120 HydrophobicContact CE1-CD2 3.96Å; Y104-L120 HydrophobicContact CE1-CG 4.24Å; Y104-L120 HydrophobicContact CE2-CD2 3.39Å; Y104-L120 HydrophobicContact CE2-CG 3.88Å; Y104-L120 HydrophobicContact CG-CD2 4.07Å; Y104-L120 WeakPolarHBondContact O-CD2 3.41Å; V107-L120 HydrophobicContact CB-CD2 3.92Å; V107-L120 HydrophobicContact CG1-CD1 4.22Å; V107-L120 HydrophobicContact CG1-CD2 3.59Å; A108-L120 HydrophobicContact CB-CB 3.91Å; A108-L120 HydrophobicContact CB-CD2 3.91Å; A108-L120 HydrophobicContact CB-CG 4.41Å; L111-L120 HydrophobicContact CD1-CD1 3.73Å
121	A	98.2	Very high	92.7	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	158.3	-177.3	0	0	0	0	0	111.1	L68 L70 L85 L86 V87 E88 Y104	L68-A121 HydrophobicContact CB-CB 3.91Å; L68-A121 CarbonylContact O-C 3.59Å; L68-A121 WeakPolarHBondContact O-CA 3.45Å; L70-A121 HydrophobicContact CD1-CB 3.48Å; L70-A121 VanDerWaalsContact CD1-CB 3.48Å; L70-A121 HydrophobicContact CG-CB 3.84Å; L85-A121 HydrophobicContact CD1-CB 3.99Å; L85-A121 HydrophobicContact CD2-CB 4.5Å; L85-A121 HydrophobicContact CG-CB 4.28Å; L86-A121 PolarHBondContact O-N 3.48Å; V87-A121 CarbonylContact C-O 3.59Å; V87-A121 WeakPolarHBondContact CA-O 3.26Å; V87-A121 HydrophobicContact CG1-CB 4.45Å; V87-A121 HydrophobicContact CG2-CB 4.09Å; E88-A121 PolarHBondContact N-O 3.05Å; Y104-A121 PolarHBondContact OH-N 2.84Å; Y104-A121 PolarHBondContact OH-O 3.18Å
122	K	98.3	Very high	93	Very high	19 Å²	19	52.5 Å²	52.5	8%	0.083	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	145.4	173.6	66.9	-177.8	-179.9	176.4	0	111.6	E64 I67 L68 L70 E88 Y90	E64-K122 WeakPolarHBondContact OE2-CE 3.41Å; E64-K122 IonicContact OE2-NZ 2.64Å; E64-K122 PolarHBondContact OE2-NZ 3.4Å; I67-K122 HydrophobicContact CG2-CB 4.02Å; I67-K122 HydrophobicContact CG2-CD 4.15Å; I67-K122 HydrophobicContact CG2-CG 3.86Å; L68-K122 PolarHBondContact O-N 3.28Å; L70-K122 PolarHBondContact N-O 2.91Å; E88-K122 HydrophobicContact CB-CB 4.43Å; E88-K122 CarbonylContact O-C 3.53Å; E88-K122 VanDerWaalsContact O-CA 3.27Å; E88-K122 WeakPolarHBondContact O-CA 3.49Å; Y90-K122 HydrophobicContact CD1-CB 4.06Å; Y90-K122 HydrophobicContact CE1-CB 3.92Å; Y90-K122 HydrophobicContact CE1-CD 3.98Å; Y90-K122 HydrophobicContact CE1-CG 4.01Å
123	V	98.4	Very high	93.4	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	122.1	177	175.3	0	0	0	0	107.9	L70 F75 V87 E88 F89 Y90 A125 E128 L131	L70-V123 HydrophobicContact CB-CG2 3.77Å; F75-V123 HydrophobicContact CD2-CG2 4.33Å; F75-V123 HydrophobicContact CE2-CG2 4.05Å; V87-V123 HydrophobicContact CG1-CB 4.47Å; V87-V123 HydrophobicContact CG1-CG2 3.72Å; E88-V123 PolarHBondContact O-N 2.82Å; F89-V123 WeakPolarHBondContact CA-O 3.27Å; F89-V123 HydrophobicContact CD1-CB 3.71Å; F89-V123 HydrophobicContact CD1-CG1 3.77Å; F89-V123 HydrophobicContact CD1-CG2 4.36Å; F89-V123 HydrophobicContact CE1-CB 3.84Å; F89-V123 HydrophobicContact CE1-CG1 3.83Å; F89-V123 HydrophobicContact CE1-CG2 4Å; F89-V123 HydrophobicContact CG-CB 4.47Å; F89-V123 HydrophobicContact CZ-CG2 4.49Å; Y90-V123 WeakPolarHBondContact CD1-O 3.37Å; Y90-V123 PolarHBondContact N-O 3.46Å; V123-A125 PolarHBondContact O-N 2.97Å; V123-A125 VanDerWaalsContact O-N 3.16Å; V123-E128 HydrophobicContact CG1-CB 3.67Å; V123-E128 HydrophobicContact CG1-CG 3.92Å; V123-L131 HydrophobicContact CG1-CB 4.42Å; V123-L131 HydrophobicContact CG1-CD1 4.01Å; V123-L131 HydrophobicContact CG2-CD1 4.39Å
124	D	97.7	Very high	94	Very high	20 Å²	20	51.9 Å²	51.9	11%	0.107	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	103.7	168.6	-174.1	-25.5	0	0	0	108.4	Y90 P92 I126 E127 E128	Y90-D124 HydrophobicContact CE1-CB 4.05Å; P92-D124 WeakPolarHBondContact CD-OD2 3.34Å; P92-D124 WeakPolarHBondContact CG-OD2 3.26Å; D124-I126 PolarHBondContact O-N 2.71Å; D124-I126 WeakPolarHBondContact OD1-CA 3.38Å; D124-I126 VanDerWaalsContact OD1-CB 3.24Å; D124-I126 WeakPolarHBondContact OD1-CB 3.39Å; D124-I126 PolarHBondContact OD1-N 2.92Å; D124-E127 HydrophobicContact CB-CB 4.35Å; D124-E127 HydrophobicContact CB-CG 4.5Å; D124-E127 PolarHBondContact O-N 3.24Å; D124-E127 PolarHBondContact OD1-N 3.07Å; D124-E128 WeakPolarHBondContact O-CB 3.35Å; D124-E128 PolarHBondContact O-N 3.46Å
125	A	97	Very high	94.5	Very high	6 Å²	6	47.4 Å²	47.4	5%	0.05	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-14.9	-176.8	0	0	0	0	0	113.2	Y90 V123 A132 F140	Y90-A125 PolarHBondContact O-N 2.89Å; V123-A125 PolarHBondContact O-N 2.97Å; V123-A125 VanDerWaalsContact O-N 3.16Å; A125-A132 HydrophobicContact CB-CB 3.85Å; A125-F140 HydrophobicContact CB-CD1 4.45Å; A125-F140 HydrophobicContact CB-CE1 3.33Å; A125-F140 HydrophobicContact CB-CZ 3.67Å
126	I	96.1	Very high	95.2	Very high	71 Å²	71	51.7 Å²	51.7	36%	0.364	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-36.8	174.6	-53.5	-57.1	0	0	0	110.2	A91 W93 D124 F140	A91-I126 HydrophobicContact CB-CD1 3.88Å; A91-I126 HydrophobicContact CB-CG1 3.7Å; W93-I126 HydrophobicContact CZ2-CD1 4.04Å; D124-I126 PolarHBondContact O-N 2.71Å; D124-I126 WeakPolarHBondContact OD1-CA 3.38Å; D124-I126 VanDerWaalsContact OD1-CB 3.24Å; D124-I126 WeakPolarHBondContact OD1-CB 3.39Å; D124-I126 PolarHBondContact OD1-N 2.92Å; I126-F140 HydrophobicContact CD1-CE2 4.21Å; I126-F140 HydrophobicContact CD1-CZ 4.35Å
127	E	95.8	Very high	96.2	Very high	115 Å²	115	48.3 Å²	48.3	54%	0.537	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-36.1	176.6	-63.4	-163.3	156.8	0	0	113.1	D124 K129	D124-E127 HydrophobicContact CB-CB 4.35Å; D124-E127 HydrophobicContact CB-CG 4.5Å; D124-E127 PolarHBondContact O-N 3.24Å; D124-E127 PolarHBondContact OD1-N 3.07Å; E127-K129 PolarHBondContact O-N 3Å
128	E	96.4	Very high	96.6	Very high	9 Å²	9	50.7 Å²	50.7	4%	0.042	26%	0.264	C	S	.	.			trans	-102.4	55	-176.5	-56.6	-57.4	142	0	0	112.3	K57 H71 I72 V123 D124 E130 L131 A132	K57-E128 WeakPolarHBondContact CE-OE1 3.33Å; K57-E128 IonicContact NZ-OE1 3.41Å; K57-E128 PolarHBondContact NZ-OE1 3.41Å; K57-E128 IonicContact NZ-OE2 3.73Å; K57-E128 PolarHBondContact NZ-OE2 2.94Å; H71-E128 HydrophobicContact CB-CG 4.07Å; H71-E128 WeakPolarHBondContact CB-OE1 3.46Å; I72-E128 PolarHBondContact N-OE2 3.49Å; V123-E128 HydrophobicContact CG1-CB 3.67Å; V123-E128 HydrophobicContact CG1-CG 3.92Å; D124-E128 WeakPolarHBondContact O-CB 3.35Å; D124-E128 PolarHBondContact O-N 3.46Å; E128-E130 PolarHBondContact O-N 2.91Å; E128-L131 HydrophobicContact CB-CB 4.25Å; E128-L131 HydrophobicContact CB-CD1 4.08Å; E128-L131 HydrophobicContact CB-CG 4.41Å; E128-L131 HydrophobicContact CG-CD1 4.39Å; E128-L131 PolarHBondContact O-N 3.26Å; E128-L131 VanDerWaalsContact O-N 3.07Å; E128-A132 PolarHBondContact O-N 3.22Å
129	K	95.9	Very high	96.6	Very high	139 Å²	139	54.2 Å²	54.2	60%	0.604	29%	0.289	S	S	*	.	H	α-helix	trans	-55	-37.8	-176.8	-63.2	-173.6	178.7	-174	0	113.6	E127 L131 A132 D133	E127-K129 PolarHBondContact O-N 3Å; K129-L131 PolarHBondContact O-N 2.85Å; K129-A132 PolarHBondContact O-N 2.98Å; K129-D133 WeakPolarHBondContact O-CB 3.23Å; K129-D133 VanDerWaalsContact O-CG 3.23Å; K129-D133 PolarHBondContact O-N 2.98Å
130	E	96.8	Very high	96.6	Very high	134 Å²	134	54.8 Å²	54.8	63%	0.626	29%	0.293	S	S	*	.	H	α-helix	trans	-61.7	-42.7	178.1	-67.2	172.6	-171.2	0	0	112.1	E128 E134	E128-E130 PolarHBondContact O-N 2.91Å; E130-E134 VanDerWaalsContact O-CB 3.22Å; E130-E134 WeakPolarHBondContact O-CB 3.37Å; E130-E134 PolarHBondContact O-N 2.81Å
131	L	97.3	Very high	96.5	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-69	-39.4	175	-67.6	177.4	0	0	0	111	I72 F75 F89 V123 E128 K129 E134 F135	I72-L131 HydrophobicContact CB-CG 4.43Å; I72-L131 HydrophobicContact CD1-CD2 3.5Å; I72-L131 HydrophobicContact CD1-CG 3.85Å; F75-L131 HydrophobicContact CB-CD1 4.42Å; F75-L131 HydrophobicContact CB-CD2 4.35Å; F75-L131 HydrophobicContact CD1-CD2 4.26Å; F75-L131 HydrophobicContact CD2-CD1 3.85Å; F75-L131 HydrophobicContact CD2-CD2 4.29Å; F75-L131 HydrophobicContact CE2-CD1 4.45Å; F75-L131 HydrophobicContact CG-CD1 4.26Å; F75-L131 HydrophobicContact CG-CD2 4.05Å; F89-L131 HydrophobicContact CE1-CB 4.29Å; V123-L131 HydrophobicContact CG1-CB 4.42Å; V123-L131 HydrophobicContact CG1-CD1 4.01Å; V123-L131 HydrophobicContact CG2-CD1 4.39Å; E128-L131 HydrophobicContact CB-CB 4.25Å; E128-L131 HydrophobicContact CB-CD1 4.08Å; E128-L131 HydrophobicContact CB-CG 4.41Å; E128-L131 HydrophobicContact CG-CD1 4.39Å; E128-L131 PolarHBondContact O-N 3.26Å; E128-L131 VanDerWaalsContact O-N 3.07Å; K129-L131 PolarHBondContact O-N 2.85Å; L131-E134 PolarHBondContact O-N 3.03Å; L131-F135 HydrophobicContact CB-CD2 4.45Å; L131-F135 HydrophobicContact CB-CE2 4.47Å; L131-F135 HydrophobicContact CD2-CE2 3.97Å; L131-F135 WeakPolarHBondContact O-CD2 3.38Å; L131-F135 PolarHBondContact O-N 2.85Å
132	A	96.9	Very high	96.5	Very high	9 Å²	9	55.8 Å²	55.8	7%	0.074	30%	0.299	C	S	.	.	H	α-helix	trans	-62.8	-44.2	178.1	0	0	0	0	0	111.8	A125 E128 K129 E136 V137	A125-A132 HydrophobicContact CB-CB 3.85Å; E128-A132 PolarHBondContact O-N 3.22Å; K129-A132 PolarHBondContact O-N 2.98Å; A132-E136 PolarHBondContact O-N 2.92Å; A132-E136 VanDerWaalsContact O-N 3.11Å; A132-V137 HydrophobicContact CB-CB 4.21Å; A132-V137 HydrophobicContact CB-CG2 4.5Å; A132-V137 PolarHBondContact O-N 3.18Å
133	D	96.9	Very high	96.5	Very high	128 Å²	128	55.2 Å²	55.2	68%	0.684	30%	0.296	S	S	*	.	H	α-helix	trans	-67.6	-44.9	177.1	-68.9	-20.7	0	0	0	110.9	K129 F135 E136	K129-D133 WeakPolarHBondContact O-CB 3.23Å; K129-D133 VanDerWaalsContact O-CG 3.23Å; K129-D133 PolarHBondContact O-N 2.98Å; D133-F135 VanDerWaalsContact C-N 3.27Å; D133-F135 PolarHBondContact O-N 3.11Å; D133-E136 PolarHBondContact O-N 2.79Å; D133-E136 VanDerWaalsContact O-N 3.14Å
134	E	97.3	Very high	96.5	Very high	90 Å²	90	56.1 Å²	56.1	42%	0.421	30%	0.3	S	S	.	.	H	α-helix	trans	-58	-39.4	178.5	179.6	-179.5	169.7	0	0	112.6	E130 L131 R151	E130-E134 VanDerWaalsContact O-CB 3.22Å; E130-E134 WeakPolarHBondContact O-CB 3.37Å; E130-E134 PolarHBondContact O-N 2.81Å; L131-E134 PolarHBondContact O-N 3.03Å; E134-R151 IonicContact OE1-CZ 2.73Å; E134-R151 IonicContact OE1-NE 2.75Å; E134-R151 PolarHBondContact OE1-NE 2.99Å; E134-R151 IonicContact OE1-NH2 3.5Å; E134-R151 PolarHBondContact OE1-NH2 2.96Å; E134-R151 IonicContact OE2-CZ 3.01Å; E134-R151 IonicContact OE2-NE 2.87Å; E134-R151 IonicContact OE2-NH2 3.23Å; E134-R151 PolarHBondContact OE2-NH2 3.33Å
135	F	97	Very high	96.4	Very high	10 Å²	10	55.2 Å²	55.2	4%	0.044	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99	15.8	-179.5	-58.7	-53.9	0	0	0	113.2	F75 F89 L131 D133 V137 K144 F146 R151 P154	F75-F135 HydrophobicContact CD1-CE2 4.44Å; F75-F135 HydrophobicContact CD1-CZ 4.45Å; F75-F135 AromaticContact CE1-CE2 3.6Å; F75-F135 HydrophobicContact CE1-CE2 3.6Å; F75-F135 AromaticContact CE1-CZ 3.57Å; F75-F135 HydrophobicContact CE1-CZ 3.57Å; F75-F135 HydrophobicContact CE2-CE2 4.36Å; F75-F135 AromaticContact CZ-CE2 3.57Å; F75-F135 HydrophobicContact CZ-CE2 3.57Å; F75-F135 AromaticContact CZ-CZ 3.93Å; F75-F135 HydrophobicContact CZ-CZ 3.93Å; F89-F135 AromaticContact CE1-CD2 3.83Å; F89-F135 HydrophobicContact CE1-CD2 3.83Å; F89-F135 HydrophobicContact CE2-CD2 4.34Å; F89-F135 HydrophobicContact CZ-CB 4.26Å; F89-F135 AromaticContact CZ-CD2 3.38Å; F89-F135 HydrophobicContact CZ-CD2 3.38Å; F89-F135 HydrophobicContact CZ-CE2 4.06Å; F89-F135 HydrophobicContact CZ-CG 4.11Å; L131-F135 HydrophobicContact CB-CD2 4.45Å; L131-F135 HydrophobicContact CB-CE2 4.47Å; L131-F135 HydrophobicContact CD2-CE2 3.97Å; L131-F135 WeakPolarHBondContact O-CD2 3.38Å; L131-F135 PolarHBondContact O-N 2.85Å; D133-F135 VanDerWaalsContact C-N 3.27Å; D133-F135 PolarHBondContact O-N 3.11Å; F135-V137 VanDerWaalsContact C-N 3.28Å; F135-V137 HydrophobicContact CB-CG2 4.28Å; F135-V137 PolarHBondContact O-N 2.97Å; F135-K144 HydrophobicContact CB-CD 4.01Å; F135-K144 WeakPolarHBondContact O-CE 3.37Å; F135-K144 PolarHBondContact O-NZ 3.44Å; F135-F146 HydrophobicContact CD1-CE1 4.26Å; F135-F146 HydrophobicContact CD1-CZ 4.11Å; F135-F146 HydrophobicContact CD2-CZ 4.3Å; F135-F146 AromaticContact CE1-CE1 3.62Å; F135-F146 HydrophobicContact CE1-CE1 3.62Å; F135-F146 AromaticContact CE1-CZ 3.82Å; F135-F146 HydrophobicContact CE1-CZ 3.82Å; F135-F146 HydrophobicContact CE2-CE1 4.36Å; F135-F146 AromaticContact CE2-CZ 3.99Å; F135-F146 HydrophobicContact CE2-CZ 3.99Å; F135-F146 HydrophobicContact CG-CZ 4.36Å; F135-F146 AromaticContact CZ-CE1 3.68Å; F135-F146 HydrophobicContact CZ-CE1 3.68Å; F135-F146 AromaticContact CZ-CZ 3.76Å; F135-F146 HydrophobicContact CZ-CZ 3.76Å; F135-R151 HydrophobicContact CE1-CG 4.02Å; F135-R151 WeakPolarHBondContact CE1-O 3.44Å; F135-R151 HydrophobicContact CZ-CG 3.77Å; F135-P154 HydrophobicContact CD1-CG 4.03Å; F135-P154 HydrophobicContact CE1-CG 4.38Å
136	E	96.3	Very high	96.4	Very high	174 Å²	174	55 Å²	55	81%	0.813	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	42.8	173.5	-56	-178	173.5	0	0	113.3	A132 D133 G138	A132-E136 PolarHBondContact O-N 2.92Å; A132-E136 VanDerWaalsContact O-N 3.11Å; D133-E136 PolarHBondContact O-N 2.79Å; D133-E136 VanDerWaalsContact O-N 3.14Å; E136-G138 PolarHBondContact O-N 3.17Å
137	V	96.4	Very high	96.3	Very high	21 Å²	21	53.8 Å²	53.8	13%	0.127	29%	0.287	C	S	.	.			trans	-74.7	93.4	-177.9	-179.2	0	0	0	0	110.4	F89 A132 F135 F140 T142	F89-V137 HydrophobicContact CB-CG1 3.84Å; F89-V137 HydrophobicContact CB-CG2 3.86Å; F89-V137 HydrophobicContact CD1-CG2 3.82Å; F89-V137 HydrophobicContact CD2-CG2 4.03Å; F89-V137 HydrophobicContact CE1-CG2 4.39Å; F89-V137 HydrophobicContact CG-CG2 3.62Å; A132-V137 HydrophobicContact CB-CB 4.21Å; A132-V137 HydrophobicContact CB-CG2 4.5Å; A132-V137 PolarHBondContact O-N 3.18Å; F135-V137 VanDerWaalsContact C-N 3.28Å; F135-V137 HydrophobicContact CB-CG2 4.28Å; F135-V137 PolarHBondContact O-N 2.97Å; V137-F140 HydrophobicContact CG1-CD1 4.08Å; V137-F140 HydrophobicContact CG1-CE1 3.55Å; V137-F140 HydrophobicContact CG1-CZ 4.38Å; V137-T142 HydrophobicContact CG2-CG2 4.44Å
138	G	92.5	Very high	96.1	Very high	79 Å²	79	53.9 Å²	53.9	81%	0.814	29%	0.292	S	S	*	.			trans	-91.2	-12.5	-178.8	0	0	0	0	0	116	E136	E136-G138 PolarHBondContact O-N 3.17Å
139	S	94.4	Very high	96	Very high	76 Å²	76	54.8 Å²	54.8	53%	0.531	30%	0.304	S	S	.	.	S	Bend	trans	-154.1	168.3	178.5	65.7	0	0	0	0	112.2	T142	S139-T142 PolarHBondContact O-OG1 2.81Å
140	F	95.1	Very high	95.9	Very high	50 Å²	50	51.4 Å²	51.4	22%	0.219	29%	0.292	C	S	.	.	S	Bend	trans	-126.8	142.1	-175.3	-57.8	-59.1	0	0	0	113	A91 W93 C94 A125 I126 V137	A91-F140 HydrophobicContact CB-CD2 3.63Å; A91-F140 HydrophobicContact CB-CE2 3.81Å; A91-F140 HydrophobicContact CB-CG 4.02Å; A91-F140 HydrophobicContact CB-CZ 4.35Å; W93-F140 HydrophobicContact CH2-CD2 4.45Å; W93-F140 HydrophobicContact CZ2-CE2 4.49Å; C94-F140 HydrophobicContact CB-CB 4.35Å; A125-F140 HydrophobicContact CB-CD1 4.45Å; A125-F140 HydrophobicContact CB-CE1 3.33Å; A125-F140 HydrophobicContact CB-CZ 3.67Å; I126-F140 HydrophobicContact CD1-CE2 4.21Å; I126-F140 HydrophobicContact CD1-CZ 4.35Å; V137-F140 HydrophobicContact CG1-CD1 4.08Å; V137-F140 HydrophobicContact CG1-CE1 3.55Å; V137-F140 HydrophobicContact CG1-CZ 4.38Å
141	P	96.4	Very high	95.8	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.006	27%	0.271	C	S	.	.	S	Bend	cis	-71.2	145.8	-14.3	27.1	-29.9	0	0	0	111	E88 F89 F100 R161	E88-P141 HydrophobicContact CG-CB 3.98Å; E88-P141 WeakPolarHBondContact OE1-CB 3.03Å; F89-P141 WeakPolarHBondContact O-CA 3.28Å; F100-P141 HydrophobicContact CD1-CG 4.35Å; P141-R161 PolarHBondContact O-NH2 3.37Å
142	T	97.6	Very high	95.7	Very high	21 Å²	21	56.2 Å²	56.2	13%	0.129	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	131.2	166.5	-72.8	0	0	0	0	108.3	F89 V137 S139 K144	F89-T142 PolarHBondContact N-O 3.28Å; F89-T142 PolarHBondContact O-N 3.4Å; V137-T142 HydrophobicContact CG2-CG2 4.44Å; S139-T142 PolarHBondContact O-OG1 2.81Å; T142-K144 HydrophobicContact CG2-CG 4.28Å
143	L	98.1	Very high	95.5	Very high	6 Å²	6	63 Å²	63	3%	0.031	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	128.8	-178.8	-73.8	166.9	0	0	0	109.3	L86 V87 E88 F100 Y104 Y157 R161	L86-L143 HydrophobicContact CD1-CB 4.19Å; L86-L143 HydrophobicContact CD1-CD2 4.13Å; L86-L143 HydrophobicContact CG-CD2 4.43Å; V87-L143 WeakPolarHBondContact O-CA 3.28Å; E88-L143 HydrophobicContact CB-CD2 3.65Å; E88-L143 HydrophobicContact CG-CD2 3.94Å; F100-L143 HydrophobicContact CE1-CD1 3.92Å; F100-L143 HydrophobicContact CE1-CD2 4.08Å; F100-L143 HydrophobicContact CE1-CG 4.42Å; F100-L143 HydrophobicContact CZ-CD1 3.78Å; Y104-L143 HydrophobicContact CD2-CD2 4.42Å; Y104-L143 HydrophobicContact CE2-CD2 3.76Å; L143-Y157 HydrophobicContact CB-CD1 4.07Å; L143-Y157 HydrophobicContact CB-CG 4.01Å; L143-Y157 HydrophobicContact CD1-CD1 3.63Å; L143-Y157 HydrophobicContact CD1-CE1 4.1Å; L143-Y157 HydrophobicContact CD1-CG 4.21Å; L143-Y157 WeakPolarHBondContact O-CB 3.16Å; L143-Y157 PolarHBondContact O-N 3.15Å; L143-R161 HydrophobicContact CD1-CG 4.47Å
144	K	97.6	Very high	95.4	Very high	19 Å²	19	58.3 Å²	58.3	8%	0.083	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	148.6	176.9	-69.3	-171.4	-175.7	-74.5	0	111.5	V87 F89 F135 T142 F146 P154 L155 D156	V87-K144 PolarHBondContact N-O 3.21Å; V87-K144 PolarHBondContact O-N 3.05Å; F89-K144 HydrophobicContact CE2-CB 4.3Å; F89-K144 HydrophobicContact CE2-CD 4.29Å; F89-K144 HydrophobicContact CE2-CG 4.45Å; F135-K144 HydrophobicContact CB-CD 4.01Å; F135-K144 WeakPolarHBondContact O-CE 3.37Å; F135-K144 PolarHBondContact O-NZ 3.44Å; T142-K144 HydrophobicContact CG2-CG 4.28Å; K144-F146 HydrophobicContact CB-CE2 4Å; K144-P154 HydrophobicContact CB-CB 4.31Å; K144-P154 HydrophobicContact CD-CB 4.26Å; K144-P154 HydrophobicContact CD-CG 4.12Å; K144-L155 CarbonylContact C-O 3.52Å; K144-L155 WeakPolarHBondContact CA-O 3.21Å; K144-D156 IonicContact NZ-OD1 3.31Å; K144-D156 PolarHBondContact NZ-OD1 2.94Å
145	V	96.7	Very high	95.2	Very high	2 Å²	2	57.5 Å²	57.5	1%	0.012	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	124.9	179.9	-174.2	0	0	0	0	110.1	L85 L86 I147 P154 L155 W169 M170	L85-V145 WeakPolarHBondContact O-CA 3.34Å; L86-V145 HydrophobicContact CB-CG2 4.36Å; L86-V145 HydrophobicContact CD1-CG2 3.51Å; V145-I147 HydrophobicContact CG1-CG1 4.06Å; V145-P154 WeakPolarHBondContact O-CA 3.41Å; V145-L155 HydrophobicContact CB-CB 4.44Å; V145-L155 PolarHBondContact N-O 2.83Å; V145-L155 PolarHBondContact O-N 2.81Å; V145-W169 HydrophobicContact CB-CH2 4.27Å; V145-W169 HydrophobicContact CB-CZ3 4.17Å; V145-W169 HydrophobicContact CG1-CZ3 4.45Å; V145-W169 HydrophobicContact CG2-CH2 3.7Å; V145-W169 HydrophobicContact CG2-CZ3 3.42Å; V145-W169 VanDerWaalsContact CG2-CZ3 3.42Å; V145-M170 HydrophobicContact CG1-CE 3.95Å; V145-M170 HydrophobicContact CG1-SD 4.24Å; V145-M170 HydrophobicContact CG2-CE 4.49Å; V145-M170 HydrophobicContact CG2-SD 3.86Å
146	F	96.9	Very high	95.1	Very high	1 Å²	1	61.5 Å²	61.5	0%	0.004	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	129	175.4	-60.2	-100	0	0	0	108.1	F75 L79 L85 V87 F135 K144 D150 P154	F75-F146 HydrophobicContact CE1-CE1 4.04Å; F75-F146 HydrophobicContact CE1-CZ 4.09Å; F75-F146 HydrophobicContact CZ-CE1 4.06Å; F75-F146 AromaticContact CZ-CE2 3.92Å; F75-F146 HydrophobicContact CZ-CE2 3.92Å; F75-F146 AromaticContact CZ-CZ 3.64Å; F75-F146 HydrophobicContact CZ-CZ 3.64Å; L79-F146 HydrophobicContact CD1-CD1 4.24Å; L79-F146 HydrophobicContact CD2-CB 3.41Å; L79-F146 VanDerWaalsContact CD2-CB 3.41Å; L79-F146 HydrophobicContact CD2-CD1 3.6Å; L79-F146 HydrophobicContact CD2-CD2 4.15Å; L79-F146 HydrophobicContact CD2-CE1 4.4Å; L79-F146 HydrophobicContact CD2-CG 3.45Å; L79-F146 VanDerWaalsContact CD2-CG 3.45Å; L85-F146 HydrophobicContact CB-CB 4.4Å; L85-F146 PolarHBondContact N-O 2.93Å; L85-F146 PolarHBondContact O-N 3.5Å; V87-F146 HydrophobicContact CB-CD2 4.34Å; V87-F146 HydrophobicContact CB-CE2 3.98Å; V87-F146 HydrophobicContact CG2-CD2 3.58Å; V87-F146 HydrophobicContact CG2-CE2 3.59Å; F135-F146 HydrophobicContact CD1-CE1 4.26Å; F135-F146 HydrophobicContact CD1-CZ 4.11Å; F135-F146 HydrophobicContact CD2-CZ 4.3Å; F135-F146 AromaticContact CE1-CE1 3.62Å; F135-F146 HydrophobicContact CE1-CE1 3.62Å; F135-F146 AromaticContact CE1-CZ 3.82Å; F135-F146 HydrophobicContact CE1-CZ 3.82Å; F135-F146 HydrophobicContact CE2-CE1 4.36Å; F135-F146 AromaticContact CE2-CZ 3.99Å; F135-F146 HydrophobicContact CE2-CZ 3.99Å; F135-F146 HydrophobicContact CG-CZ 4.36Å; F135-F146 AromaticContact CZ-CE1 3.68Å; F135-F146 HydrophobicContact CZ-CE1 3.68Å; F135-F146 AromaticContact CZ-CZ 3.76Å; F135-F146 HydrophobicContact CZ-CZ 3.76Å; K144-F146 HydrophobicContact CB-CE2 4Å; F146-D150 WeakPolarHBondContact CD1-O 3.4Å; F146-P154 HydrophobicContact CD1-CB 3.88Å; F146-P154 HydrophobicContact CD2-CB 4.5Å; F146-P154 HydrophobicContact CE1-CB 3.59Å; F146-P154 HydrophobicContact CE1-CG 4.01Å; F146-P154 HydrophobicContact CE2-CB 4.24Å; F146-P154 HydrophobicContact CG-CB 4.32Å; F146-P154 HydrophobicContact CZ-CB 3.78Å; F146-P154 HydrophobicContact CZ-CG 4.24Å
147	I	93.8	Very high	95	Very high	45 Å²	45	54.1 Å²	54.1	23%	0.231	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	129.5	-175.4	-57.5	-179.5	0	0	0	108	E83 F84 V145 G149 D150 L155	E83-I147 CarbonylContact O-C 3.52Å; E83-I147 WeakPolarHBondContact O-CA 3.38Å; F84-I147 HydrophobicContact CD1-CB 4.48Å; F84-I147 HydrophobicContact CD1-CD1 4.26Å; F84-I147 HydrophobicContact CD1-CG1 3.91Å; F84-I147 HydrophobicContact CD1-CG2 4.09Å; F84-I147 HydrophobicContact CE1-CB 4.45Å; F84-I147 HydrophobicContact CE1-CD1 4.11Å; F84-I147 HydrophobicContact CE1-CG1 4.1Å; F84-I147 HydrophobicContact CE1-CG2 3.64Å; F84-I147 HydrophobicContact CZ-CG2 4.26Å; V145-I147 HydrophobicContact CG1-CG1 4.06Å; I147-G149 PolarHBondContact O-N 3.17Å; I147-G149 VanDerWaalsContact O-N 3.13Å; I147-D150 WeakPolarHBondContact O-CB 3.46Å; I147-D150 PolarHBondContact O-N 3.38Å; I147-L155 HydrophobicContact CD1-CD1 3.66Å
148	N	92.6	Very high	94.6	Very high	118 Å²	118	58.1 Å²	58.1	63%	0.631	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	35.6	179	-66.6	-52	0	0	0	113.5	E83 D150	E83-N148 VanDerWaalsContact CG-OD1 3.31Å; E83-N148 WeakPolarHBondContact CG-OD1 3.41Å; E83-N148 PolarHBondContact O-N 2.74Å; N148-D150 PolarHBondContact O-N 3.02Å
149	G	92.7	Very high	94.4	Very high	28 Å²	28	55.3 Å²	55.3	29%	0.289	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.3	14.3	-178.7	0	0	0	0	0	115.7	L79 I147 R151	L79-G149 WeakPolarHBondContact O-CA 3.48Å; I147-G149 PolarHBondContact O-N 3.17Å; I147-G149 VanDerWaalsContact O-N 3.13Å; G149-R151 PolarHBondContact O-N 2.8Å
150	D	94.1	Very high	94.1	Very high	67 Å²	67	56.6 Å²	56.6	36%	0.358	29%	0.293	S	S	.	.			trans	-70.8	95.8	176.2	-169.5	-9.6	0	0	0	111.3	F146 I147 N148 K152 Q153	F146-D150 WeakPolarHBondContact CD1-O 3.4Å; I147-D150 WeakPolarHBondContact O-CB 3.46Å; I147-D150 PolarHBondContact O-N 3.38Å; N148-D150 PolarHBondContact O-N 3.02Å; D150-K152 VanDerWaalsContact C-N 3.32Å; D150-K152 WeakPolarHBondContact OD1-CB 3.05Å; D150-K152 PolarHBondContact OD1-N 3.42Å; D150-Q153 PolarHBondContact OD1-N 2.83Å; D150-Q153 VanDerWaalsContact OD1-N 3.16Å
151	R	95.9	Very high	94	Very high	47 Å²	47	59.8 Å²	59.8	18%	0.177	30%	0.304	C	S	.	.	S	Bend	trans	-71.6	-24.5	174.7	-167.6	169.6	172.5	161.6	-1.3	113	D76 L79 E134 F135 G149	D76-R151 IonicContact OD1-CZ 3.54Å; D76-R151 IonicContact OD1-NH1 3.46Å; D76-R151 PolarHBondContact OD1-NH1 2.82Å; D76-R151 IonicContact OD2-NH1 2.66Å; D76-R151 PolarHBondContact OD2-NH1 3.5Å; D76-R151 VanDerWaalsContact OD2-NH1 3.17Å; L79-R151 HydrophobicContact CD1-CB 3.62Å; L79-R151 HydrophobicContact CD1-CG 3.84Å; E134-R151 IonicContact OE1-CZ 2.73Å; E134-R151 IonicContact OE1-NE 2.75Å; E134-R151 PolarHBondContact OE1-NE 2.99Å; E134-R151 IonicContact OE1-NH2 3.5Å; E134-R151 PolarHBondContact OE1-NH2 2.96Å; E134-R151 IonicContact OE2-CZ 3.01Å; E134-R151 IonicContact OE2-NE 2.87Å; E134-R151 IonicContact OE2-NH2 3.23Å; E134-R151 PolarHBondContact OE2-NH2 3.33Å; F135-R151 HydrophobicContact CE1-CG 4.02Å; F135-R151 WeakPolarHBondContact CE1-O 3.44Å; F135-R151 HydrophobicContact CZ-CG 3.77Å; G149-R151 PolarHBondContact O-N 2.8Å
152	K	94.4	Very high	93.8	Very high	189 Å²	189	62.2 Å²	62.2	82%	0.822	32%	0.321	S	S	*	.	S	Bend	trans	-83.9	-31.1	-169.7	-65.6	-178.2	-180	178.3	0	112.8	D150 P154	D150-K152 VanDerWaalsContact C-N 3.32Å; D150-K152 WeakPolarHBondContact OD1-CB 3.05Å; D150-K152 PolarHBondContact OD1-N 3.42Å; K152-P154 VanDerWaalsContact C-CD 3.41Å
153	Q	92.8	Very high	93.6	Very high	152 Å²	152	62.1 Å²	62.1	71%	0.71	32%	0.32	S	S	*	.	S	Bend	trans	-128.2	61.9	-177.4	-59.9	-173.8	23.1	0	0	111.5	D150	D150-Q153 PolarHBondContact OD1-N 2.83Å; D150-Q153 VanDerWaalsContact OD1-N 3.16Å
154	P	95.4	Very high	93.2	Very high	29 Å²	29	66.2 Å²	66.2	19%	0.188	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-64.9	144.9	172.8	29.1	-33.6	0	0	0	110.5	F135 K144 V145 F146 K152	F135-P154 HydrophobicContact CD1-CG 4.03Å; F135-P154 HydrophobicContact CE1-CG 4.38Å; K144-P154 HydrophobicContact CB-CB 4.31Å; K144-P154 HydrophobicContact CD-CB 4.26Å; K144-P154 HydrophobicContact CD-CG 4.12Å; V145-P154 WeakPolarHBondContact O-CA 3.41Å; F146-P154 HydrophobicContact CD1-CB 3.88Å; F146-P154 HydrophobicContact CD2-CB 4.5Å; F146-P154 HydrophobicContact CE1-CB 3.59Å; F146-P154 HydrophobicContact CE1-CG 4.01Å; F146-P154 HydrophobicContact CE2-CB 4.24Å; F146-P154 HydrophobicContact CG-CB 4.32Å; F146-P154 HydrophobicContact CZ-CB 3.78Å; F146-P154 HydrophobicContact CZ-CG 4.24Å; K152-P154 VanDerWaalsContact C-CD 3.41Å
155	L	93.4	Very high	92.9	Very high	73 Å²	73	65.5 Å²	65.5	38%	0.382	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	133.7	175.1	-60	-179.8	0	0	0	110.2	K144 V145 I147 Y157	K144-L155 CarbonylContact C-O 3.52Å; K144-L155 WeakPolarHBondContact CA-O 3.21Å; V145-L155 HydrophobicContact CB-CB 4.44Å; V145-L155 PolarHBondContact N-O 2.83Å; V145-L155 PolarHBondContact O-N 2.81Å; I147-L155 HydrophobicContact CD1-CD1 3.66Å; L155-Y157 PolarHBondContact O-N 2.76Å
156	D	94.4	Very high	92.7	Very high	94 Å²	94	65.4 Å²	65.4	50%	0.503	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	132.7	167.8	-72	-37.5	0	0	0	110.6	K144 T158	K144-D156 IonicContact NZ-OD1 3.31Å; K144-D156 PolarHBondContact NZ-OD1 2.94Å; D156-T158 HydrophobicContact CB-CG2 4.47Å; D156-T158 PolarHBondContact O-N 2.82Å
157	Y	93.6	Very high	92.5	Very high	19 Å²	19	66.4 Å²	66.4	8%	0.075	35%	0.348	C	S	.	.			trans	-77.8	112	171.3	178.4	-90.5	0	0	0	109.7	L86 L143 L155 G159 K160 R161 I166 W169	L86-Y157 HydrophobicContact CD1-CD2 4.3Å; L86-Y157 HydrophobicContact CD1-CG 4.45Å; L143-Y157 HydrophobicContact CB-CD1 4.07Å; L143-Y157 HydrophobicContact CB-CG 4.01Å; L143-Y157 HydrophobicContact CD1-CD1 3.63Å; L143-Y157 HydrophobicContact CD1-CE1 4.1Å; L143-Y157 HydrophobicContact CD1-CG 4.21Å; L143-Y157 WeakPolarHBondContact O-CB 3.16Å; L143-Y157 PolarHBondContact O-N 3.15Å; L155-Y157 PolarHBondContact O-N 2.76Å; Y157-G159 VanDerWaalsContact CE1-C 3.46Å; Y157-G159 WeakPolarHBondContact CE1-O 3.21Å; Y157-G159 VanDerWaalsContact OH-C 3.28Å; Y157-G159 WeakPolarHBondContact OH-CA 3.27Å; Y157-K160 PolarHBondContact OH-N 2.92Å; Y157-K160 PolarHBondContact OH-O 2.9Å; Y157-R161 HydrophobicContact CE1-CG 4.4Å; Y157-I166 HydrophobicContact CE1-CG1 4.31Å; Y157-I166 HydrophobicContact CE2-CG1 4.32Å; Y157-I166 HydrophobicContact CE2-CG2 4.35Å; Y157-I166 WeakPolarHBondContact OH-CA 3.31Å; Y157-I166 VanDerWaalsContact OH-CG1 3.26Å; Y157-I166 WeakPolarHBondContact OH-CG1 3.34Å; Y157-I166 PolarHBondContact OH-N 2.89Å; Y157-W169 AromaticContact CD2-CD2 3.61Å; Y157-W169 HydrophobicContact CD2-CD2 3.61Å; Y157-W169 AromaticContact CD2-CE2 3.88Å; Y157-W169 AromaticContact CD2-CE3 3.6Å; Y157-W169 HydrophobicContact CD2-CE3 3.6Å; Y157-W169 HydrophobicContact CD2-CG 4.18Å; Y157-W169 HydrophobicContact CD2-CH2 4.13Å; Y157-W169 HydrophobicContact CD2-CZ2 4.12Å; Y157-W169 AromaticContact CD2-CZ3 3.9Å; Y157-W169 HydrophobicContact CD2-CZ3 3.9Å; Y157-W169 HydrophobicContact CE2-CB 3.86Å; Y157-W169 AromaticContact CE2-CD2 3.55Å; Y157-W169 HydrophobicContact CE2-CD2 3.55Å; Y157-W169 AromaticContact CE2-CE3 3.77Å; Y157-W169 HydrophobicContact CE2-CE3 3.77Å; Y157-W169 AromaticContact CE2-CG 3.63Å; Y157-W169 HydrophobicContact CE2-CG 3.63Å
158	T	88.4	Confident	92.3	Very high	104 Å²	104	68.5 Å²	68.5	64%	0.638	36%	0.357	S	S	*	.			trans	-108.7	5.7	-178.3	55.8	0	0	0	0	113.2	D156	D156-T158 HydrophobicContact CB-CG2 4.47Å; D156-T158 PolarHBondContact O-N 2.82Å
159	G	88.3	Confident	92.3	Very high	21 Å²	21	63 Å²	63	22%	0.216	33%	0.327	C	S	.	.	S	Bend	trans	-78.2	177.7	-178.6	0	0	0	0	0	114.4	Y157	Y157-G159 VanDerWaalsContact CE1-C 3.46Å; Y157-G159 WeakPolarHBondContact CE1-O 3.21Å; Y157-G159 VanDerWaalsContact OH-C 3.28Å; Y157-G159 WeakPolarHBondContact OH-CA 3.27Å
160	K	88.6	Confident	92.3	Very high	103 Å²	103	61.7 Å²	61.7	45%	0.448	31%	0.313	S	S	.	.			trans	-72.7	127.8	175.6	-64.4	175.4	-172.9	154.5	0	110.1	Y157 S162 D222	Y157-K160 PolarHBondContact OH-N 2.92Å; Y157-K160 PolarHBondContact OH-O 2.9Å; K160-S162 PolarHBondContact O-N 2.9Å; K160-D222 IonicContact NZ-OD1 3.51Å; K160-D222 PolarHBondContact NZ-OD1 3.15Å; K160-D222 VanDerWaalsContact NZ-OD1 3.13Å; K160-D222 IonicContact NZ-OD2 2.75Å; K160-D222 PolarHBondContact NZ-OD2 3.35Å
161	R	91.6	Very high	92.1	Very high	117 Å²	117	61.6 Å²	61.6	44%	0.442	31%	0.31	S	S	.	.	S	Bend	trans	-74.6	42	177.8	-64.9	-177.3	-178	179.6	-6	113.8	F100 P141 L143 Y157	F100-R161 HydrophobicContact CD2-CB 4.13Å; F100-R161 HydrophobicContact CE2-CB 3.71Å; F100-R161 HydrophobicContact CE2-CG 4.19Å; P141-R161 PolarHBondContact O-NH2 3.37Å; L143-R161 HydrophobicContact CD1-CG 4.47Å; Y157-R161 HydrophobicContact CE1-CG 4.4Å
162	S	92.1	Very high	91.8	Very high	52 Å²	52	61.3 Å²	61.3	36%	0.364	31%	0.309	S	S	.	.	S	Bend	trans	-110.2	160.1	170.8	68.6	0	0	0	0	109.5	K160 V164 G165 I166	K160-S162 PolarHBondContact O-N 2.9Å; S162-V164 VanDerWaalsContact C-N 3.32Å; S162-V164 PolarHBondContact O-N 2.75Å; S162-G165 PolarHBondContact O-N 3.4Å; S162-G165 VanDerWaalsContact O-N 3.16Å; S162-G165 PolarHBondContact OG-N 2.91Å; S162-G165 VanDerWaalsContact OG-N 3.15Å; S162-I166 WeakPolarHBondContact O-CG1 3.45Å; S162-I166 PolarHBondContact O-N 2.94Å
163	V	93.5	Very high	91.5	Very high	19 Å²	19	53.8 Å²	53.8	12%	0.115	28%	0.275	C	S	.	.	H	α-helix	trans	-53.8	-50.9	179.8	178.8	0	0	0	0	111.2	I103 E106 V107 K110 G165 I167	I103-V163 HydrophobicContact CG2-CG2 3.84Å; E106-V163 HydrophobicContact CB-CG2 4.22Å; E106-V163 HydrophobicContact CG-CG1 4.24Å; E106-V163 HydrophobicContact CG-CG2 4.26Å; V107-V163 HydrophobicContact CG2-CB 4.16Å; V107-V163 HydrophobicContact CG2-CG1 3.95Å; V107-V163 HydrophobicContact CG2-CG2 4.36Å; K110-V163 HydrophobicContact CD-CG1 3.93Å; V163-G165 PolarHBondContact O-N 3.31Å; V163-I167 HydrophobicContact CG1-CD1 3.82Å; V163-I167 VanDerWaalsContact O-CG1 3.26Å; V163-I167 WeakPolarHBondContact O-CG1 3.31Å; V163-I167 PolarHBondContact O-N 3.08Å; V163-I167 VanDerWaalsContact O-N 3.14Å
164	V	90.8	Very high	91.3	Very high	91 Å²	91	48.3 Å²	48.3	55%	0.552	26%	0.256	S	S	*	.	H	α-helix	trans	-63.4	-43.7	179.4	179.3	0	0	0	0	111.2	S162 I166 I167 Q168	S162-V164 VanDerWaalsContact C-N 3.32Å; S162-V164 PolarHBondContact O-N 2.75Å; V164-I166 PolarHBondContact O-N 2.93Å; V164-I167 PolarHBondContact O-N 3.37Å; V164-Q168 HydrophobicContact CG1-CG 4.25Å; V164-Q168 WeakPolarHBondContact O-CB 3.34Å; V164-Q168 WeakPolarHBondContact O-CG 3.44Å; V164-Q168 PolarHBondContact O-N 3.29Å
165	G	90.6	Very high	90.8	Very high	5 Å²	5	48.4 Å²	48.4	5%	0.052	26%	0.262	C	S	.	.	H	α-helix	trans	-63.5	-42.2	-177.9	0	0	0	0	0	113.1	S162 V163 W169	S162-G165 PolarHBondContact O-N 3.4Å; S162-G165 VanDerWaalsContact O-N 3.16Å; S162-G165 PolarHBondContact OG-N 2.91Å; S162-G165 VanDerWaalsContact OG-N 3.15Å; V163-G165 PolarHBondContact O-N 3.31Å; G165-W169 WeakPolarHBondContact O-CB 3.34Å; G165-W169 PolarHBondContact O-N 3.35Å
166	I	93.9	Very high	90.2	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-68.7	-47.2	178.1	-60.7	160.5	0	0	0	110.6	L86 F100 I103 V107 Y157 S162 V164 Q168 W169 M170	L86-I166 HydrophobicContact CD2-CG2 3.5Å; F100-I166 HydrophobicContact CE2-CD1 3.69Å; F100-I166 HydrophobicContact CZ-CD1 3.56Å; I103-I166 HydrophobicContact CG2-CD1 4.33Å; V107-I166 HydrophobicContact CG1-CB 4.18Å; V107-I166 HydrophobicContact CG1-CG2 3.7Å; V107-I166 HydrophobicContact CG2-CB 4.08Å; V107-I166 HydrophobicContact CG2-CD1 4.05Å; V107-I166 HydrophobicContact CG2-CG2 4.42Å; Y157-I166 HydrophobicContact CE1-CG1 4.31Å; Y157-I166 HydrophobicContact CE2-CG1 4.32Å; Y157-I166 HydrophobicContact CE2-CG2 4.35Å; Y157-I166 WeakPolarHBondContact OH-CA 3.31Å; Y157-I166 VanDerWaalsContact OH-CG1 3.26Å; Y157-I166 WeakPolarHBondContact OH-CG1 3.34Å; Y157-I166 PolarHBondContact OH-N 2.89Å; S162-I166 WeakPolarHBondContact O-CG1 3.45Å; S162-I166 PolarHBondContact O-N 2.94Å; V164-I166 PolarHBondContact O-N 2.93Å; I166-Q168 PolarHBondContact O-N 2.99Å; I166-W169 PolarHBondContact O-N 3.47Å; I166-M170 HydrophobicContact CG2-CG 4.19Å; I166-M170 WeakPolarHBondContact O-CB 3.29Å; I166-M170 WeakPolarHBondContact O-CG 3.41Å; I166-M170 PolarHBondContact O-N 3.02Å
167	I	92.3	Very high	89.7	Confident	21 Å²	21	45.6 Å²	45.6	11%	0.108	25%	0.254	C	S	.	.	H	α-helix	trans	-57.9	-50.2	179	-69.4	172.1	0	0	0	110.6	V107 K110 L111 V163 V164 W169 M170 K171	V107-I167 HydrophobicContact CG1-CG1 4.06Å; V107-I167 HydrophobicContact CG2-CG1 4.41Å; K110-I167 HydrophobicContact CB-CD1 3.82Å; K110-I167 HydrophobicContact CD-CD1 3.68Å; K110-I167 HydrophobicContact CG-CD1 4.39Å; L111-I167 HydrophobicContact CD1-CG1 4.42Å; L111-I167 HydrophobicContact CD2-CB 4.48Å; L111-I167 HydrophobicContact CD2-CG1 4.23Å; L111-I167 HydrophobicContact CD2-CG2 4.08Å; L111-I167 HydrophobicContact CG-CG1 4.11Å; V163-I167 HydrophobicContact CG1-CD1 3.82Å; V163-I167 VanDerWaalsContact O-CG1 3.26Å; V163-I167 WeakPolarHBondContact O-CG1 3.31Å; V163-I167 PolarHBondContact O-N 3.08Å; V163-I167 VanDerWaalsContact O-N 3.14Å; V164-I167 PolarHBondContact O-N 3.37Å; I167-W169 PolarHBondContact O-N 3.29Å; I167-M170 PolarHBondContact O-N 3.47Å; I167-K171 HydrophobicContact CG2-CD 3.99Å; I167-K171 HydrophobicContact CG2-CG 4.35Å; I167-K171 WeakPolarHBondContact O-CB 3.25Å; I167-K171 WeakPolarHBondContact O-CG 3.45Å; I167-K171 PolarHBondContact O-N 3.36Å
168	Q	89.8	Confident	89.5	Confident	90 Å²	90	45 Å²	45	42%	0.421	25%	0.252	S	S	.	.	H	α-helix	trans	-61.4	-43.4	179.8	-75	177.7	-16.8	0	0	112.1	V164 I166 R172	V164-Q168 HydrophobicContact CG1-CG 4.25Å; V164-Q168 WeakPolarHBondContact O-CB 3.34Å; V164-Q168 WeakPolarHBondContact O-CG 3.44Å; V164-Q168 PolarHBondContact O-N 3.29Å; I166-Q168 PolarHBondContact O-N 2.99Å; Q168-R172 VanDerWaalsContact O-CB 3.29Å; Q168-R172 WeakPolarHBondContact O-CB 3.49Å; Q168-R172 PolarHBondContact O-N 2.86Å
169	W	92.1	Very high	89.8	Confident	2 Å²	2	42.5 Å²	42.5	1%	0.008	24%	0.24	C	C	.	.	H	α-helix	trans	-64.3	-42.6	179.5	-169.9	103.5	0	0	0	112.1	V145 Y157 G165 I166 I167 R173 T221	V145-W169 HydrophobicContact CB-CH2 4.27Å; V145-W169 HydrophobicContact CB-CZ3 4.17Å; V145-W169 HydrophobicContact CG1-CZ3 4.45Å; V145-W169 HydrophobicContact CG2-CH2 3.7Å; V145-W169 HydrophobicContact CG2-CZ3 3.42Å; V145-W169 VanDerWaalsContact CG2-CZ3 3.42Å; Y157-W169 AromaticContact CD2-CD2 3.61Å; Y157-W169 HydrophobicContact CD2-CD2 3.61Å; Y157-W169 AromaticContact CD2-CE2 3.88Å; Y157-W169 AromaticContact CD2-CE3 3.6Å; Y157-W169 HydrophobicContact CD2-CE3 3.6Å; Y157-W169 HydrophobicContact CD2-CG 4.18Å; Y157-W169 HydrophobicContact CD2-CH2 4.13Å; Y157-W169 HydrophobicContact CD2-CZ2 4.12Å; Y157-W169 AromaticContact CD2-CZ3 3.9Å; Y157-W169 HydrophobicContact CD2-CZ3 3.9Å; Y157-W169 HydrophobicContact CE2-CB 3.86Å; Y157-W169 AromaticContact CE2-CD2 3.55Å; Y157-W169 HydrophobicContact CE2-CD2 3.55Å; Y157-W169 AromaticContact CE2-CE3 3.77Å; Y157-W169 HydrophobicContact CE2-CE3 3.77Å; Y157-W169 AromaticContact CE2-CG 3.63Å; Y157-W169 HydrophobicContact CE2-CG 3.63Å; G165-W169 WeakPolarHBondContact O-CB 3.34Å; G165-W169 PolarHBondContact O-N 3.35Å; I166-W169 PolarHBondContact O-N 3.47Å; I167-W169 PolarHBondContact O-N 3.29Å; W169-R173 PolarHBondContact O-N 3.4Å; W169-T221 HydrophobicContact CB-CG2 4.05Å; W169-T221 HydrophobicContact CG-CG2 4.24Å
170	M	92.8	Very high	90.1	Very high	1 Å²	1	46 Å²	46	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-67.3	-48.6	177.3	-71	-57.7	-66	0	0	111.5	F84 L86 L111 I118 V145 I166 I167 R172 R173 A174	F84-M170 HydrophobicContact CB-CE 4.17Å; L86-M170 HydrophobicContact CB-CE 3.86Å; L86-M170 HydrophobicContact CB-SD 3.97Å; L86-M170 HydrophobicContact CD1-SD 4.46Å; L86-M170 HydrophobicContact CD2-CG 4.21Å; L86-M170 HydrophobicContact CD2-SD 4.14Å; L86-M170 HydrophobicContact CG-SD 4.42Å; L111-M170 HydrophobicContact CD1-CB 4.32Å; L111-M170 HydrophobicContact CD1-CG 4.4Å; I118-M170 HydrophobicContact CD1-CB 4.3Å; I118-M170 HydrophobicContact CG2-CB 4.21Å; I118-M170 HydrophobicContact CG2-CE 3.54Å; I118-M170 HydrophobicContact CG2-CG 4.49Å; V145-M170 HydrophobicContact CG1-CE 3.95Å; V145-M170 HydrophobicContact CG1-SD 4.24Å; V145-M170 HydrophobicContact CG2-CE 4.49Å; V145-M170 HydrophobicContact CG2-SD 3.86Å; I166-M170 HydrophobicContact CG2-CG 4.19Å; I166-M170 WeakPolarHBondContact O-CB 3.29Å; I166-M170 WeakPolarHBondContact O-CG 3.41Å; I166-M170 PolarHBondContact O-N 3.02Å; I167-M170 PolarHBondContact O-N 3.47Å; M170-R172 VanDerWaalsContact C-N 3.3Å; M170-R172 PolarHBondContact O-N 2.92Å; M170-R173 PolarHBondContact O-N 3.34Å; M170-R173 VanDerWaalsContact O-N 3.15Å; M170-A174 PolarHBondContact O-N 2.88Å
171	K	89.5	Confident	90.5	Very high	65 Å²	65	41.4 Å²	41.4	28%	0.283	23%	0.233	S	C	.	.	H	α-helix	trans	-60.2	-39	177.8	-73.6	-170.6	177.9	-164.3	0	112.6	L111 E114 E115 I118 I167 R173 A174 G175	L111-K171 HydrophobicContact CD2-CG 4.37Å; E114-K171 WeakPolarHBondContact OE2-CE 3.35Å; E114-K171 IonicContact OE2-NZ 2.85Å; E114-K171 PolarHBondContact OE2-NZ 2.91Å; E115-K171 HydrophobicContact CG-CD 4.4Å; E115-K171 HydrophobicContact CG-CG 4.27Å; I118-K171 HydrophobicContact CD1-CG 4.4Å; I167-K171 HydrophobicContact CG2-CD 3.99Å; I167-K171 HydrophobicContact CG2-CG 4.35Å; I167-K171 WeakPolarHBondContact O-CB 3.25Å; I167-K171 WeakPolarHBondContact O-CG 3.45Å; I167-K171 PolarHBondContact O-N 3.36Å; K171-R173 VanDerWaalsContact C-N 3.27Å; K171-R173 PolarHBondContact O-N 3.46Å; K171-A174 PolarHBondContact O-N 2.64Å; K171-G175 PolarHBondContact O-N 2.95Å
172	R	89.6	Confident	90.6	Very high	40 Å²	40	39.4 Å²	39.4	15%	0.151	23%	0.232	C	C	.	.	H	α-helix	trans	-58.9	-39.7	177.2	-174.7	65.7	62.1	-176	-2.8	111.7	Q168 M170 G177 F218 E224	Q168-R172 VanDerWaalsContact O-CB 3.29Å; Q168-R172 WeakPolarHBondContact O-CB 3.49Å; Q168-R172 PolarHBondContact O-N 2.86Å; M170-R172 VanDerWaalsContact C-N 3.3Å; M170-R172 PolarHBondContact O-N 2.92Å; R172-G177 WeakPolarHBondContact CD-O 3.49Å; R172-G177 PolarHBondContact NH1-O 2.87Å; R172-F218 HydrophobicContact CG-CD1 4.18Å; R172-F218 WeakPolarHBondContact O-CD1 3.35Å; R172-F218 VanDerWaalsContact O-CE1 3.25Å; R172-F218 WeakPolarHBondContact O-CE1 3.4Å; R172-E224 IonicContact CZ-OE2 2.94Å; R172-E224 IonicContact NH1-OE2 3.17Å; R172-E224 PolarHBondContact NH1-OE2 2.82Å; R172-E224 IonicContact NH2-OE1 3.66Å; R172-E224 PolarHBondContact NH2-OE1 2.75Å; R172-E224 IonicContact NH2-OE2 2.74Å; R172-E224 PolarHBondContact NH2-OE2 2.85Å
173	R	88.4	Confident	90.8	Very high	32 Å²	32	44 Å²	44	12%	0.121	25%	0.245	C	C	.	.	H	α-helix	trans	-81.9	-28.5	178.9	-81.6	169.7	169.5	68.9	4.4	114.1	F84 W169 M170 K171 G175 F218 D219	F84-R173 WeakPolarHBondContact CE1-O 3.32Å; W169-R173 PolarHBondContact O-N 3.4Å; M170-R173 PolarHBondContact O-N 3.34Å; M170-R173 VanDerWaalsContact O-N 3.15Å; K171-R173 VanDerWaalsContact C-N 3.27Å; K171-R173 PolarHBondContact O-N 3.46Å; R173-G175 VanDerWaalsContact C-N 3.32Å; R173-F218 HydrophobicContact CG-CB 4.5Å; R173-F218 HydrophobicContact CG-CD1 3.97Å; R173-F218 HydrophobicContact CG-CG 4.45Å; R173-F218 PolarHBondContact NH1-O 3.34Å; R173-D219 IonicContact CZ-OD1 3.34Å; R173-D219 IonicContact NH2-OD1 2.79Å; R173-D219 PolarHBondContact NH2-OD1 3.39Å
174	A	88.1	Confident	91	Very high	37 Å²	37	45 Å²	45	31%	0.306	25%	0.252	S	S	.	.	H	α-helix	trans	-71.1	-30.9	171.7	0	0	0	0	0	112.2	F84 I118 M170 K171	F84-A174 HydrophobicContact CD1-CB 4.49Å; F84-A174 HydrophobicContact CD2-CB 3.95Å; F84-A174 HydrophobicContact CE1-CB 4.42Å; F84-A174 HydrophobicContact CE2-CB 3.87Å; F84-A174 HydrophobicContact CG-CB 4.29Å; F84-A174 VanDerWaalsContact CZ-CA 3.48Å; F84-A174 HydrophobicContact CZ-CB 4.15Å; I118-A174 HydrophobicContact CD1-CB 3.65Å; I118-A174 HydrophobicContact CG1-CB 4.05Å; M170-A174 PolarHBondContact O-N 2.88Å; K171-A174 PolarHBondContact O-N 2.64Å
175	G	85.5	Confident	91.3	Very high	31 Å²	31	47.2 Å²	47.2	32%	0.32	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-177	174.1	0	0	0	0	0	114.2	K171 R173 G177	K171-G175 PolarHBondContact O-N 2.95Å; R173-G175 VanDerWaalsContact C-N 3.32Å; G175-G177 PolarHBondContact O-N 3.22Å
176	P	81.4	Confident	91.6	Very high	103 Å²	103	48.9 Å²	48.9	67%	0.669	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-0.3	-179.7	29.2	-36	0	0	0	114.6	T178	P176-T178 PolarHBondContact O-N 2.77Å
177	G	82.7	Confident	91.7	Very high	5 Å²	5	49 Å²	49	5%	0.052	27%	0.272	C	S	.	.	S	Bend	trans	72.7	-40.6	-173.7	0	0	0	0	0	114.1	R172 G175 F218	R172-G177 WeakPolarHBondContact CD-O 3.49Å; R172-G177 PolarHBondContact NH1-O 2.87Å; G175-G177 PolarHBondContact O-N 3.22Å; G177-F218 VanDerWaalsContact CA-CE1 3.4Å
178	T	89.8	Confident	91.9	Very high	5 Å²	5	50 Å²	50	3%	0.031	28%	0.283	C	S	.	.	S	Bend	trans	-126.5	143.5	-176.4	62.4	0	0	0	0	111.9	P176 F213 K214 A217 F225	P176-T178 PolarHBondContact O-N 2.77Å; T178-F213 HydrophobicContact CG2-CD1 4.27Å; T178-F213 HydrophobicContact CG2-CE1 3.93Å; T178-K214 HydrophobicContact CG2-CG 4.25Å; T178-A217 HydrophobicContact CG2-CB 3.62Å; T178-F225 WeakPolarHBondContact CA-O 3.34Å; T178-F225 HydrophobicContact CG2-CB 3.92Å
179	S	93.7	Very high	92.3	Very high	53 Å²	53	53.2 Å²	53.2	37%	0.371	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	129.9	170.3	-63.8	0	0	0	0	111.2	L181 F225 G226 V227	S179-L181 PolarHBondContact O-N 2.99Å; S179-F225 PolarHBondContact N-O 3.14Å; S179-G226 CarbonylContact O-C 3.5Å; S179-G226 VanDerWaalsContact O-CA 3.3Å; S179-G226 WeakPolarHBondContact O-CA 3.42Å; S179-V227 PolarHBondContact O-N 3.22Å
180	N	95.5	Very high	92.4	Very high	95 Å²	95	53.9 Å²	53.9	51%	0.508	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	123.3	172.1	-70.6	-11.9	0	0	0	110.2	V227	N180-V227 WeakPolarHBondContact OD1-CG1 3.32Å
181	L	96.6	Very high	92.6	Very high	5 Å²	5	55.1 Å²	55.1	3%	0.026	31%	0.305	C	S	.	.			trans	-107.5	73.4	-177.6	-55.2	-179.7	0	0	0	109.5	S179 F183 A187 F190 V199 V227 T228	S179-L181 PolarHBondContact O-N 2.99Å; L181-F183 VanDerWaalsContact C-N 3.29Å; L181-F183 PolarHBondContact O-N 3.06Å; L181-A187 HydrophobicContact CB-CB 4.15Å; L181-A187 HydrophobicContact CD1-CB 4.15Å; L181-F190 HydrophobicContact CD1-CB 4.47Å; L181-F190 HydrophobicContact CD1-CD1 3.97Å; L181-F190 HydrophobicContact CD1-CG 4.32Å; L181-F190 HydrophobicContact CD2-CB 3.75Å; L181-F190 HydrophobicContact CD2-CD1 4.38Å; L181-F190 HydrophobicContact CD2-CD2 4.3Å; L181-F190 HydrophobicContact CD2-CG 3.89Å; L181-V199 HydrophobicContact CD1-CG1 3.87Å; L181-V199 HydrophobicContact CD1-CG2 3.97Å; L181-V227 PolarHBondContact N-O 2.83Å; L181-T228 WeakPolarHBondContact O-CB 3.17Å; L181-T228 PolarHBondContact O-OG1 3.38Å
182	D	94.4	Very high	92.8	Very high	76 Å²	76	54.2 Å²	54.2	41%	0.406	32%	0.315	S	S	.	.			trans	-77	-16.1	-173.3	-62.2	-31.3	0	0	0	113.1	T230	D182-T230 WeakPolarHBondContact CA-OG1 3.46Å; D182-T230 VanDerWaalsContact O-CG2 3.28Å; D182-T230 WeakPolarHBondContact O-CG2 3.49Å; D182-T230 PolarHBondContact O-OG1 2.77Å
183	F	96.8	Very high	93	Very high	147 Å²	147	56.3 Å²	56.3	65%	0.645	33%	0.332	S	S	*	.	S	Bend	trans	-132.7	147.9	-176.6	-52.1	-79.5	0	0	0	112.1	L181 D185 S186 A187	L181-F183 VanDerWaalsContact C-N 3.29Å; L181-F183 PolarHBondContact O-N 3.06Å; F183-D185 VanDerWaalsContact C-N 3.29Å; F183-D185 PolarHBondContact O-N 3.27Å; F183-S186 PolarHBondContact N-OG 3.19Å; F183-S186 PolarHBondContact O-N 3.44Å; F183-S186 PolarHBondContact O-OG 2.76Å; F183-A187 PolarHBondContact O-N 2.75Å
184	V	97.4	Very high	93.1	Very high	42 Å²	42	57.5 Å²	57.5	26%	0.255	34%	0.339	S	S	.	.	H	α-helix	trans	-53.8	-44	177.7	171	0	0	0	0	112.4	S186 A187 A188 E232 V233 K236	V184-S186 VanDerWaalsContact C-N 3.34Å; V184-S186 PolarHBondContact O-N 3.46Å; V184-A187 PolarHBondContact O-N 2.95Å; V184-A188 WeakPolarHBondContact O-CB 3.37Å; V184-A188 PolarHBondContact O-N 3.46Å; V184-E232 HydrophobicContact CG2-CB 3.99Å; V184-V233 HydrophobicContact CG2-CG2 4.23Å; V184-K236 HydrophobicContact CG1-CB 4.25Å; V184-K236 HydrophobicContact CG1-CD 4.12Å; V184-K236 HydrophobicContact CG1-CG 3.84Å; V184-K236 HydrophobicContact CG2-CB 4.21Å
185	D	97	Very high	93.2	Very high	136 Å²	136	61.2 Å²	61.2	73%	0.727	35%	0.353	S	S	*	.	H	α-helix	trans	-66.3	-36.9	179.9	-68	-17.6	0	0	0	112.2	F183 K189	F183-D185 VanDerWaalsContact C-N 3.29Å; F183-D185 PolarHBondContact O-N 3.27Å; D185-K189 VanDerWaalsContact O-CB 3.3Å; D185-K189 WeakPolarHBondContact O-CB 3.34Å; D185-K189 PolarHBondContact O-N 3.48Å
186	S	95.4	Very high	93.6	Very high	41 Å²	41	61.1 Å²	61.1	29%	0.287	35%	0.346	S	S	.	.	H	α-helix	trans	-67.4	-41	176.4	69	0	0	0	0	111.7	F183 V184 K189 F190	F183-S186 PolarHBondContact N-OG 3.19Å; F183-S186 PolarHBondContact O-N 3.44Å; F183-S186 PolarHBondContact O-OG 2.76Å; V184-S186 VanDerWaalsContact C-N 3.34Å; V184-S186 PolarHBondContact O-N 3.46Å; S186-K189 PolarHBondContact O-N 2.71Å; S186-F190 VanDerWaalsContact O-CB 3.29Å; S186-F190 WeakPolarHBondContact O-CB 3.43Å; S186-F190 PolarHBondContact O-N 2.92Å
187	A	97.1	Very high	94.3	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.008	31%	0.314	C	S	.	.	H	α-helix	trans	-64.5	-45.7	174.9	0	0	0	0	0	111.7	L181 F183 V184 K189 F190 I191 V233 Y237	L181-A187 HydrophobicContact CB-CB 4.15Å; L181-A187 HydrophobicContact CD1-CB 4.15Å; F183-A187 PolarHBondContact O-N 2.75Å; V184-A187 PolarHBondContact O-N 2.95Å; A187-K189 PolarHBondContact O-N 3.02Å; A187-F190 PolarHBondContact O-N 3.33Å; A187-I191 WeakPolarHBondContact O-CB 3.29Å; A187-I191 WeakPolarHBondContact O-CG1 3.31Å; A187-I191 PolarHBondContact O-N 3.19Å; A187-V233 HydrophobicContact CB-CG1 3.76Å; A187-Y237 HydrophobicContact CB-CE2 3.84Å
188	A	97.1	Very high	95.1	Very high	43 Å²	43	56 Å²	56	36%	0.355	31%	0.311	S	S	.	.	H	α-helix	trans	-62	-43	177.5	0	0	0	0	0	112.2	V184 G192 Y237	V184-A188 WeakPolarHBondContact O-CB 3.37Å; V184-A188 PolarHBondContact O-N 3.46Å; A188-G192 PolarHBondContact O-N 3.29Å; A188-Y237 VanDerWaalsContact CA-OH 3.22Å; A188-Y237 WeakPolarHBondContact CA-OH 3.49Å; A188-Y237 PolarHBondContact N-OH 2.92Å
189	K	96.9	Very high	95.5	Very high	157 Å²	157	55.8 Å²	55.8	68%	0.683	31%	0.31	S	S	*	.	H	α-helix	trans	-63.4	-45.5	175.2	-175.7	-178.9	177.9	-174.1	0	111.5	D185 S186 A187 G192 T193	D185-K189 VanDerWaalsContact O-CB 3.3Å; D185-K189 WeakPolarHBondContact O-CB 3.34Å; D185-K189 PolarHBondContact O-N 3.48Å; S186-K189 PolarHBondContact O-N 2.71Å; A187-K189 PolarHBondContact O-N 3.02Å; K189-G192 PolarHBondContact O-N 3.42Å; K189-T193 WeakPolarHBondContact O-CB 3.25Å; K189-T193 PolarHBondContact O-N 3.19Å; K189-T193 PolarHBondContact O-OG1 3.07Å
190	F	95.7	Very high	95.7	Very high	17 Å²	17	53.3 Å²	53.3	8%	0.075	29%	0.292	C	S	.	.	H	α-helix	trans	-58.2	-51.4	178.7	179.2	-96.2	0	0	0	111.3	L181 S186 A187 G192 T193 H194 V199 E224 F225	L181-F190 HydrophobicContact CD1-CB 4.47Å; L181-F190 HydrophobicContact CD1-CD1 3.97Å; L181-F190 HydrophobicContact CD1-CG 4.32Å; L181-F190 HydrophobicContact CD2-CB 3.75Å; L181-F190 HydrophobicContact CD2-CD1 4.38Å; L181-F190 HydrophobicContact CD2-CD2 4.3Å; L181-F190 HydrophobicContact CD2-CG 3.89Å; S186-F190 VanDerWaalsContact O-CB 3.29Å; S186-F190 WeakPolarHBondContact O-CB 3.43Å; S186-F190 PolarHBondContact O-N 2.92Å; A187-F190 PolarHBondContact O-N 3.33Å; F190-G192 PolarHBondContact O-N 3Å; F190-T193 PolarHBondContact O-N 3.45Å; F190-H194 AromaticContact CD2-CE1 3.87Å; F190-H194 AromaticContact CE2-CE1 3.88Å; F190-H194 PolarHBondContact O-ND1 2.9Å; F190-V199 HydrophobicContact CD1-CG2 4.29Å; F190-V199 HydrophobicContact CE1-CG2 4.22Å; F190-E224 HydrophobicContact CE2-CB 4.21Å; F190-E224 HydrophobicContact CZ-CB 3.77Å; F190-F225 WeakPolarHBondContact CZ-O 3.45Å
191	I	96	Very high	95.8	Very high	26 Å²	26	48.8 Å²	48.8	13%	0.133	27%	0.268	C	S	.	.	H	α-helix	trans	-65	-40.4	179.4	-69.5	161.4	0	0	0	111.7	A187 T193 V199 Y237 F247	A187-I191 WeakPolarHBondContact O-CB 3.29Å; A187-I191 WeakPolarHBondContact O-CG1 3.31Å; A187-I191 PolarHBondContact O-N 3.19Å; I191-T193 VanDerWaalsContact C-N 3.34Å; I191-T193 PolarHBondContact O-N 3.32Å; I191-V199 HydrophobicContact CD1-CG2 4.2Å; I191-V199 HydrophobicContact CG1-CG2 4.14Å; I191-Y237 HydrophobicContact CD1-CD1 4.36Å; I191-Y237 HydrophobicContact CD1-CE1 3.58Å; I191-Y237 HydrophobicContact CD1-CE2 4.05Å; I191-Y237 VanDerWaalsContact CD1-CZ 3.4Å; I191-Y237 WeakPolarHBondContact CD1-OH 3.3Å; I191-F247 HydrophobicContact CD1-CD1 4.36Å; I191-F247 HydrophobicContact CD1-CD2 3.62Å; I191-F247 HydrophobicContact CD1-CE1 4.26Å; I191-F247 HydrophobicContact CD1-CE2 3.49Å; I191-F247 VanDerWaalsContact CD1-CE2 3.49Å; I191-F247 HydrophobicContact CD1-CG 4.05Å; I191-F247 HydrophobicContact CD1-CZ 3.83Å; I191-F247 HydrophobicContact CG1-CB 4.46Å; I191-F247 HydrophobicContact CG1-CD2 3.76Å; I191-F247 HydrophobicContact CG1-CE2 4.15Å; I191-F247 HydrophobicContact CG1-CG 4.08Å; I191-F247 HydrophobicContact CG2-CB 3.67Å; I191-F247 HydrophobicContact CG2-CD1 4.09Å; I191-F247 HydrophobicContact CG2-CD2 4.34Å; I191-F247 HydrophobicContact CG2-CG 3.77Å
192	G	94.1	Very high	95.8	Very high	47 Å²	47	48.5 Å²	48.5	49%	0.485	27%	0.267	S	S	.	.	H	α-helix	trans	-71.6	-25.2	-179.5	0	0	0	0	0	114.4	A188 K189 F190 K249	A188-G192 PolarHBondContact O-N 3.29Å; K189-G192 PolarHBondContact O-N 3.42Å; F190-G192 PolarHBondContact O-N 3Å; G192-K249 WeakPolarHBondContact O-CE 3.4Å; G192-K249 PolarHBondContact O-NZ 2.9Å
193	T	94.2	Very high	95.8	Very high	84 Å²	84	50.8 Å²	50.8	52%	0.515	28%	0.279	S	S	.	.	H	α-helix	trans	-74.7	-45.9	-176.6	-59.9	0	0	0	0	111.4	K189 F190 I191 K249	K189-T193 WeakPolarHBondContact O-CB 3.25Å; K189-T193 PolarHBondContact O-N 3.19Å; K189-T193 PolarHBondContact O-OG1 3.07Å; F190-T193 PolarHBondContact O-N 3.45Å; I191-T193 VanDerWaalsContact C-N 3.34Å; I191-T193 PolarHBondContact O-N 3.32Å; T193-K249 PolarHBondContact O-NZ 3.37Å
194	H	90.1	Very high	95.7	Very high	57 Å²	57	46.5 Å²	46.5	26%	0.264	27%	0.268	S	S	.	.	S	Bend	trans	-94.6	154.5	-171.5	-47.4	100.1	0	0	0	112.3	F190 E224 K249	F190-H194 AromaticContact CD2-CE1 3.87Å; F190-H194 AromaticContact CE2-CE1 3.88Å; F190-H194 PolarHBondContact O-ND1 2.9Å; H194-E224 HydrophobicContact CB-CB 4.42Å; H194-E224 HydrophobicContact CB-CG 4.33Å; H194-E224 VanDerWaalsContact CD2-CG 3.48Å; H194-E224 WeakPolarHBondContact CD2-CG 3.2Å; H194-K249 WeakPolarHBondContact O-CE 3.36Å; H194-K249 PolarHBondContact O-NZ 2.68Å
195	N	90.1	Very high	95.5	Very high	114 Å²	114	46.2 Å²	46.2	61%	0.61	26%	0.264	S	S	*	.	S	Bend	trans	-71.2	-34.4	176.6	-74.2	-10	0	0	0	112.2	K248 K249	N195-K248 WeakPolarHBondContact O-CA 3.45Å; N195-K249 PolarHBondContact O-N 3.02Å
196	I	93.8	Very high	95.4	Very high	30 Å²	30	46.2 Å²	46.2	15%	0.154	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	128.3	174.4	-54.4	174.1	0	0	0	107.1	V223 L246 F247 F250 S278	I196-V223 HydrophobicContact CB-CG1 4.37Å; I196-V223 HydrophobicContact CG2-CG1 3.78Å; I196-V223 HydrophobicContact CG2-CG2 4.46Å; I196-L246 HydrophobicContact CG2-CD1 4.23Å; I196-L246 HydrophobicContact CG2-CD2 4.19Å; I196-L246 HydrophobicContact CG2-CG 4.09Å; I196-F247 CarbonylContact C-O 3.36Å; I196-F247 WeakPolarHBondContact CA-O 3.38Å; I196-F250 HydrophobicContact CD1-CE1 4.03Å; I196-F250 HydrophobicContact CD1-CZ 4.03Å; I196-F250 HydrophobicContact CG1-CE1 3.88Å; I196-F250 HydrophobicContact CG1-CZ 4.2Å; I196-S278 WeakPolarHBondContact CD1-O 3.13Å
197	S	96.6	Very high	95.3	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	130.4	176.1	-62.8	0	0	0	0	109.1	E224 F247	S197-E224 WeakPolarHBondContact CA-O 3.34Å; S197-F247 PolarHBondContact N-O 3.41Å; S197-F247 PolarHBondContact O-N 3.45Å
198	V	98.1	Very high	95.1	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	120.6	175.8	180	0	0	0	0	108.3	F213 V223 E224 F225 G226 V244 V245 L246 I274	V198-F213 HydrophobicContact CG1-CE2 3.76Å; V198-F213 HydrophobicContact CG1-CZ 4.15Å; V198-V223 HydrophobicContact CB-CG1 4.38Å; V198-V223 HydrophobicContact CG2-CG1 3.59Å; V198-E224 PolarHBondContact N-O 3.01Å; V198-F225 HydrophobicContact CB-CD1 3.91Å; V198-F225 HydrophobicContact CB-CE1 3.83Å; V198-F225 HydrophobicContact CB-CZ 4.38Å; V198-F225 HydrophobicContact CG1-CD1 4.02Å; V198-F225 HydrophobicContact CG1-CE1 3.8Å; V198-F225 HydrophobicContact CG2-CE1 4.4Å; V198-F225 CarbonylContact O-C 3.53Å; V198-F225 WeakPolarHBondContact O-CA 3.38Å; V198-G226 PolarHBondContact O-N 3.34Å; V198-V244 HydrophobicContact CG1-CG1 3.41Å; V198-V244 VanDerWaalsContact CG1-CG1 3.41Å; V198-V245 WeakPolarHBondContact CA-O 3.47Å; V198-L246 HydrophobicContact CG2-CB 4.29Å; V198-L246 HydrophobicContact CG2-CD1 4.08Å; V198-L246 HydrophobicContact CG2-CG 4.06Å; V198-I274 HydrophobicContact CG1-CD1 4.02Å; V198-I274 HydrophobicContact CG1-CG1 4.34Å; V198-I274 HydrophobicContact CG2-CD1 4.34Å; V198-I274 HydrophobicContact CG2-CG1 4.21Å; V198-I274 HydrophobicContact CG2-CG2 4.06Å
199	V	98.4	Very high	95	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.006	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	120.6	-177.8	-176.4	0	0	0	0	110	L181 F190 I191 F201 G226 T228 V245 F247	L181-V199 HydrophobicContact CD1-CG1 3.87Å; L181-V199 HydrophobicContact CD1-CG2 3.97Å; F190-V199 HydrophobicContact CD1-CG2 4.29Å; F190-V199 HydrophobicContact CE1-CG2 4.22Å; I191-V199 HydrophobicContact CD1-CG2 4.2Å; I191-V199 HydrophobicContact CG1-CG2 4.14Å; V199-F201 HydrophobicContact CB-CD2 4.36Å; V199-F201 HydrophobicContact CB-CE2 3.74Å; V199-F201 HydrophobicContact CB-CZ 4.37Å; V199-F201 HydrophobicContact CG1-CD2 3.97Å; V199-F201 HydrophobicContact CG1-CE2 3.5Å; V199-F201 HydrophobicContact CG1-CZ 3.86Å; V199-F201 WeakPolarHBondContact O-CD2 3.42Å; V199-G226 CarbonylContact C-O 3.47Å; V199-G226 VanDerWaalsContact CA-O 3.31Å; V199-G226 WeakPolarHBondContact CA-O 3.48Å; V199-T228 HydrophobicContact CG1-CG2 4.37Å; V199-V245 PolarHBondContact N-O 3.16Å; V199-V245 PolarHBondContact O-N 3.01Å; V199-F247 HydrophobicContact CB-CE2 4.09Å; V199-F247 HydrophobicContact CG2-CD2 4.05Å; V199-F247 HydrophobicContact CG2-CE2 3.95Å
200	G	98.1	Very high	94.9	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	120	170.3	0	0	0	0	0	110.7	G226 V227 T228	G200-G226 PolarHBondContact N-O 3.49Å; G200-V227 CarbonylContact O-C 3.51Å; G200-V227 WeakPolarHBondContact O-CA 3.47Å; G200-V227 WeakPolarHBondContact O-CG2 3.31Å; G200-T228 PolarHBondContact O-N 3.04Å
201	F	97.9	Very high	94.8	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	108.2	174.3	-68.9	-100.4	0	0	0	107.1	V199 T228 V233 F234 Y237 V239 D242 S243 V245 F247	V199-F201 HydrophobicContact CB-CD2 4.36Å; V199-F201 HydrophobicContact CB-CE2 3.74Å; V199-F201 HydrophobicContact CB-CZ 4.37Å; V199-F201 HydrophobicContact CG1-CD2 3.97Å; V199-F201 HydrophobicContact CG1-CE2 3.5Å; V199-F201 HydrophobicContact CG1-CZ 3.86Å; V199-F201 WeakPolarHBondContact O-CD2 3.42Å; F201-T228 HydrophobicContact CD1-CG2 3.51Å; F201-T228 HydrophobicContact CE1-CG2 3.82Å; F201-T228 HydrophobicContact CG-CG2 4.04Å; F201-V233 HydrophobicContact CE1-CG1 4.01Å; F201-F234 VanDerWaalsContact C-CZ 3.45Å; F201-F234 HydrophobicContact CB-CD1 4.36Å; F201-F234 HydrophobicContact CB-CD2 4.46Å; F201-F234 HydrophobicContact CB-CE1 3.8Å; F201-F234 HydrophobicContact CB-CE2 3.92Å; F201-F234 HydrophobicContact CB-CZ 3.58Å; F201-F234 HydrophobicContact CD1-CD1 4.33Å; F201-F234 AromaticContact CD1-CD2 3.72Å; F201-F234 HydrophobicContact CD1-CD2 3.72Å; F201-F234 AromaticContact CD1-CE2 3.95Å; F201-F234 HydrophobicContact CD1-CE2 3.95Å; F201-F234 AromaticContact CD1-CG 3.95Å; F201-F234 HydrophobicContact CD1-CG 3.95Å; F201-F234 HydrophobicContact CD1-CZ 4.37Å; F201-F234 HydrophobicContact CG-CE2 4.43Å; F201-F234 HydrophobicContact CG-CZ 4.5Å; F201-Y237 HydrophobicContact CE1-CD2 4.25Å; F201-Y237 HydrophobicContact CZ-CD2 4.05Å; F201-Y237 HydrophobicContact CZ-CG 4.12Å; F201-V239 HydrophobicContact CB-CG1 3.79Å; F201-V239 HydrophobicContact CD1-CB 3.98Å; F201-V239 HydrophobicContact CD1-CG1 4.12Å; F201-V239 HydrophobicContact CD1-CG2 4Å; F201-V239 HydrophobicContact CD2-CG1 4.47Å; F201-V239 HydrophobicContact CD2-CG2 4.06Å; F201-V239 HydrophobicContact CE1-CB 4.32Å; F201-V239 HydrophobicContact CE1-CG2 3.98Å; F201-V239 HydrophobicContact CE2-CG2 4.06Å; F201-V239 HydrophobicContact CG-CB 4.18Å; F201-V239 HydrophobicContact CG-CG1 3.89Å; F201-V239 HydrophobicContact CG-CG2 4.04Å; F201-V239 HydrophobicContact CZ-CG2 4.02Å; F201-D242 CarbonylContact O-C 3.51Å; F201-D242 VanDerWaalsContact O-CA 3.23Å; F201-D242 WeakPolarHBondContact O-CA 3.46Å; F201-S243 PolarHBondContact N-O 2.79Å; F201-S243 PolarHBondContact O-N 3.1Å; F201-V245 HydrophobicContact CD2-CB 4.35Å; F201-V245 HydrophobicContact CD2-CG2 3.84Å; F201-V245 HydrophobicContact CE2-CB 3.87Å; F201-V245 HydrophobicContact CE2-CG2 3.68Å; F201-F247 HydrophobicContact CE2-CE2 4.36Å
202	F	96.4	Very high	94.8	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.258	C	S	.	.			trans	-129.9	131.7	-179.9	-56.8	-72.6	0	0	0	111.1	S204 L205 A210 F213 V227 T228 A229 D242 V244 W259 L265	F202-S204 WeakPolarHBondContact CB-O 3.31Å; F202-S204 PolarHBondContact O-N 3.16Å; F202-S204 VanDerWaalsContact O-N 3.15Å; F202-L205 HydrophobicContact CB-CD2 4.43Å; F202-A210 HydrophobicContact CB-CB 4.38Å; F202-A210 HydrophobicContact CD1-CB 4.38Å; F202-A210 HydrophobicContact CD2-CB 3.78Å; F202-A210 HydrophobicContact CE2-CB 4.13Å; F202-A210 HydrophobicContact CG-CB 3.92Å; F202-F213 HydrophobicContact CE2-CB 3.81Å; F202-F213 AromaticContact CE2-CD1 3.88Å; F202-F213 HydrophobicContact CE2-CD1 3.88Å; F202-F213 HydrophobicContact CE2-CD2 4.41Å; F202-F213 AromaticContact CE2-CG 3.77Å; F202-F213 HydrophobicContact CE2-CG 3.77Å; F202-F213 HydrophobicContact CZ-CB 3.6Å; F202-F213 HydrophobicContact CZ-CD1 4.44Å; F202-F213 HydrophobicContact CZ-CD2 4.25Å; F202-F213 AromaticContact CZ-CG 3.85Å; F202-F213 HydrophobicContact CZ-CG 3.85Å; F202-V227 HydrophobicContact CD2-CG2 3.65Å; F202-V227 HydrophobicContact CE2-CG2 3.96Å; F202-T228 PolarHBondContact N-O 2.88Å; F202-A229 WeakPolarHBondContact O-CA 3.31Å; F202-A229 WeakPolarHBondContact O-CB 3.5Å; F202-D242 HydrophobicContact CD1-CB 4.26Å; F202-V244 HydrophobicContact CZ-CG2 4.19Å; F202-W259 AromaticContact CE1-CH2 3.83Å; F202-W259 HydrophobicContact CE1-CH2 3.83Å; F202-W259 HydrophobicContact CE1-CZ2 4.1Å; F202-L265 HydrophobicContact CE1-CD2 4.48Å
203	N	94.1	Very high	94.9	Very high	123 Å²	123	44.4 Å²	44.4	66%	0.658	24%	0.235	S	C	*	.	S	Bend	trans	-58.5	-26.7	171.8	-72.5	-59.3	0	0	0	112.1	D242	N203-D242 WeakPolarHBondContact CB-OD1 3.4Å; N203-D242 PolarHBondContact N-OD1 2.99Å; N203-D242 PolarHBondContact ND2-OD1 2.95Å
204	S	94.4	Very high	94.9	Very high	58 Å²	58	43 Å²	43	41%	0.406	22%	0.222	S	C	.	.			trans	-139.6	126.5	171.6	-178.4	0	0	0	0	111.5	F202 E206 S207	F202-S204 WeakPolarHBondContact CB-O 3.31Å; F202-S204 PolarHBondContact O-N 3.16Å; F202-S204 VanDerWaalsContact O-N 3.15Å; S204-E206 PolarHBondContact O-N 3.33Å; S204-E206 PolarHBondContact OG-N 3.04Å; S204-S207 VanDerWaalsContact O-CB 3.3Å; S204-S207 WeakPolarHBondContact O-CB 3.4Å; S204-S207 PolarHBondContact O-N 3.09Å; S204-S207 PolarHBondContact O-OG 2.68Å
205	L	94.6	Very high	95	Very high	36 Å²	36	44.8 Å²	44.8	19%	0.188	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-8.4	176.4	-56.6	-172.2	0	0	0	114	F202 A210 K214 V227 A229	F202-L205 HydrophobicContact CB-CD2 4.43Å; L205-A210 WeakPolarHBondContact O-CB 3.36Å; L205-K214 PolarHBondContact O-NZ 3.14Å; L205-V227 HydrophobicContact CD1-CG1 4.39Å; L205-V227 HydrophobicContact CD2-CB 4.43Å; L205-V227 HydrophobicContact CD2-CG1 4.23Å; L205-V227 HydrophobicContact CD2-CG2 3.49Å; L205-V227 VanDerWaalsContact CD2-CG2 3.49Å; L205-A229 HydrophobicContact CD2-CB 4.01Å; L205-A229 HydrophobicContact CG-CB 3.98Å
206	E	94.2	Very high	95.2	Very high	135 Å²	135	39.3 Å²	39.3	63%	0.631	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.5	-0.5	176.5	-59.4	-53.3	131.6	0	0	112.6	S204 K211	S204-E206 PolarHBondContact O-N 3.33Å; S204-E206 PolarHBondContact OG-N 3.04Å; E206-K211 WeakPolarHBondContact O-CE 3.43Å
207	S	93.6	Very high	95.2	Very high	28 Å²	28	37.9 Å²	37.9	20%	0.196	19%	0.194	C	C	.	.	S	Bend	trans	-63.9	156.2	176.6	65.3	0	0	0	0	112.1	S204 S209 A210 K211	S204-S207 VanDerWaalsContact O-CB 3.3Å; S204-S207 WeakPolarHBondContact O-CB 3.4Å; S204-S207 PolarHBondContact O-N 3.09Å; S204-S207 PolarHBondContact O-OG 2.68Å; S207-S209 PolarHBondContact O-N 3.38Å; S207-A210 PolarHBondContact O-N 3.39Å; S207-A210 VanDerWaalsContact O-N 3.13Å; S207-A210 WeakPolarHBondContact OG-CB 3.44Å; S207-A210 PolarHBondContact OG-N 2.99Å; S207-A210 VanDerWaalsContact OG-N 3.15Å; S207-K211 WeakPolarHBondContact O-CG 3.46Å; S207-K211 PolarHBondContact O-N 3.06Å
208	E	93.3	Very high	94.9	Very high	127 Å²	127	40.5 Å²	40.5	59%	0.593	21%	0.205	S	C	*	.	H	α-helix	trans	-58.5	-38.3	175	-65	-56.6	121.8	0	0	111.8	A210 K211 V212	E208-A210 PolarHBondContact O-N 2.87Å; E208-K211 WeakPolarHBondContact O-CB 3.46Å; E208-K211 PolarHBondContact O-N 3.4Å; E208-K211 IonicContact OE1-NZ 3.41Å; E208-K211 PolarHBondContact OE1-NZ 3.02Å; E208-V212 WeakPolarHBondContact O-CG2 3.47Å; E208-V212 PolarHBondContact O-N 2.88Å
209	S	94.4	Very high	94.4	Very high	23 Å²	23	43.1 Å²	43.1	16%	0.161	22%	0.219	C	C	.	.	H	α-helix	trans	-62.7	-42.7	174.8	-53	0	0	0	0	112.1	S207 K211 V212 F213 L265	S207-S209 PolarHBondContact O-N 3.38Å; S209-K211 VanDerWaalsContact C-N 3.28Å; S209-K211 PolarHBondContact O-N 2.94Å; S209-V212 PolarHBondContact O-N 3.39Å; S209-F213 WeakPolarHBondContact O-CB 2.93Å; S209-F213 PolarHBondContact O-N 3.06Å; S209-L265 WeakPolarHBondContact O-CD2 3.32Å
210	A	94.9	Very high	93.9	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-64.3	-33.4	176.1	0	0	0	0	0	112.3	F202 L205 S207 E208 K214	F202-A210 HydrophobicContact CB-CB 4.38Å; F202-A210 HydrophobicContact CD1-CB 4.38Å; F202-A210 HydrophobicContact CD2-CB 3.78Å; F202-A210 HydrophobicContact CE2-CB 4.13Å; F202-A210 HydrophobicContact CG-CB 3.92Å; L205-A210 WeakPolarHBondContact O-CB 3.36Å; S207-A210 PolarHBondContact O-N 3.39Å; S207-A210 VanDerWaalsContact O-N 3.13Å; S207-A210 WeakPolarHBondContact OG-CB 3.44Å; S207-A210 PolarHBondContact OG-N 2.99Å; S207-A210 VanDerWaalsContact OG-N 3.15Å; E208-A210 PolarHBondContact O-N 2.87Å; A210-K214 WeakPolarHBondContact O-CG 3.32Å; A210-K214 PolarHBondContact O-N 3.13Å
211	K	94.4	Very high	93.3	Very high	88 Å²	88	45 Å²	45	38%	0.383	23%	0.23	S	C	.	.	H	α-helix	trans	-66.9	-48.7	173.7	-65.6	173.8	-169.8	168.1	0	111.7	E206 S207 E208 S209 F213 K214 E215	E206-K211 WeakPolarHBondContact O-CE 3.43Å; S207-K211 WeakPolarHBondContact O-CG 3.46Å; S207-K211 PolarHBondContact O-N 3.06Å; E208-K211 WeakPolarHBondContact O-CB 3.46Å; E208-K211 PolarHBondContact O-N 3.4Å; E208-K211 IonicContact OE1-NZ 3.41Å; E208-K211 PolarHBondContact OE1-NZ 3.02Å; S209-K211 VanDerWaalsContact C-N 3.28Å; S209-K211 PolarHBondContact O-N 2.94Å; K211-F213 VanDerWaalsContact C-N 3.27Å; K211-F213 PolarHBondContact O-N 2.84Å; K211-K214 WeakPolarHBondContact O-CB 3.21Å; K211-K214 PolarHBondContact O-N 3.37Å; K211-K214 VanDerWaalsContact O-N 3.12Å; K211-E215 PolarHBondContact O-N 3.42Å
212	V	95.7	Very high	92.5	Very high	29 Å²	29	48.7 Å²	48.7	18%	0.176	25%	0.249	C	C	.	.	H	α-helix	trans	-57.7	-42.6	175.7	172.5	0	0	0	0	110.9	E208 S209 K214 E215 V216 L265 K267	E208-V212 WeakPolarHBondContact O-CG2 3.47Å; E208-V212 PolarHBondContact O-N 2.88Å; S209-V212 PolarHBondContact O-N 3.39Å; V212-K214 PolarHBondContact O-N 2.83Å; V212-E215 WeakPolarHBondContact O-CB 3.44Å; V212-E215 PolarHBondContact O-N 3.29Å; V212-V216 PolarHBondContact O-N 2.96Å; V212-V216 VanDerWaalsContact O-N 3.07Å; V212-L265 HydrophobicContact CB-CD2 4.33Å; V212-L265 HydrophobicContact CB-CG 4.43Å; V212-L265 HydrophobicContact CG1-CD2 4.27Å; V212-L265 HydrophobicContact CG1-CG 4.02Å; V212-K267 HydrophobicContact CG1-CB 4.01Å
213	F	96.6	Very high	92.2	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-60.1	-44.8	175.6	179.1	-98.9	0	0	0	112.8	T178 V198 F202 S209 K211 E215 V216 A217 F225 G226 V227 V244 L265 L270	T178-F213 HydrophobicContact CG2-CD1 4.27Å; T178-F213 HydrophobicContact CG2-CE1 3.93Å; V198-F213 HydrophobicContact CG1-CE2 3.76Å; V198-F213 HydrophobicContact CG1-CZ 4.15Å; F202-F213 HydrophobicContact CE2-CB 3.81Å; F202-F213 AromaticContact CE2-CD1 3.88Å; F202-F213 HydrophobicContact CE2-CD1 3.88Å; F202-F213 HydrophobicContact CE2-CD2 4.41Å; F202-F213 AromaticContact CE2-CG 3.77Å; F202-F213 HydrophobicContact CE2-CG 3.77Å; F202-F213 HydrophobicContact CZ-CB 3.6Å; F202-F213 HydrophobicContact CZ-CD1 4.44Å; F202-F213 HydrophobicContact CZ-CD2 4.25Å; F202-F213 AromaticContact CZ-CG 3.85Å; F202-F213 HydrophobicContact CZ-CG 3.85Å; S209-F213 WeakPolarHBondContact O-CB 2.93Å; S209-F213 PolarHBondContact O-N 3.06Å; K211-F213 VanDerWaalsContact C-N 3.27Å; K211-F213 PolarHBondContact O-N 2.84Å; F213-E215 VanDerWaalsContact C-N 3.33Å; F213-E215 PolarHBondContact O-N 3.45Å; F213-V216 PolarHBondContact O-N 3.45Å; F213-A217 PolarHBondContact O-N 2.62Å; F213-F225 HydrophobicContact CE1-CD1 4.16Å; F213-F225 AromaticContact CE2-CD1 3.92Å; F213-F225 HydrophobicContact CE2-CD1 3.92Å; F213-F225 HydrophobicContact CE2-CE1 4.24Å; F213-F225 AromaticContact CZ-CD1 3.58Å; F213-F225 HydrophobicContact CZ-CD1 3.58Å; F213-F225 HydrophobicContact CZ-CE1 4.35Å; F213-G226 WeakPolarHBondContact CE1-O 3.2Å; F213-G226 WeakPolarHBondContact CZ-O 3.37Å; F213-V227 HydrophobicContact CD1-CG2 4.49Å; F213-V227 HydrophobicContact CE1-CB 4.36Å; F213-V227 HydrophobicContact CE1-CG2 4.43Å; F213-V244 HydrophobicContact CD2-CG1 4.19Å; F213-V244 HydrophobicContact CD2-CG2 3.56Å; F213-V244 HydrophobicContact CE2-CB 4.42Å; F213-V244 HydrophobicContact CE2-CG1 3.68Å; F213-V244 HydrophobicContact CE2-CG2 3.84Å; F213-L265 HydrophobicContact CB-CD2 4.5Å; F213-L270 HydrophobicContact CD2-CD2 3.98Å
214	K	93.8	Very high	92.1	Very high	54 Å²	54	46 Å²	46	24%	0.235	23%	0.234	C	C	.	.	H	α-helix	trans	-61.2	-40.4	175.6	-74.5	170.7	-178.8	170.8	0	111.8	T178 L205 A210 K211 V212 V216 A217 F218	T178-K214 HydrophobicContact CG2-CG 4.25Å; L205-K214 PolarHBondContact O-NZ 3.14Å; A210-K214 WeakPolarHBondContact O-CG 3.32Å; A210-K214 PolarHBondContact O-N 3.13Å; K211-K214 WeakPolarHBondContact O-CB 3.21Å; K211-K214 PolarHBondContact O-N 3.37Å; K211-K214 VanDerWaalsContact O-N 3.12Å; V212-K214 PolarHBondContact O-N 2.83Å; K214-V216 PolarHBondContact O-N 3.41Å; K214-A217 WeakPolarHBondContact O-CB 3.26Å; K214-A217 PolarHBondContact O-N 3.48Å; K214-F218 WeakPolarHBondContact O-CD2 3.19Å; K214-F218 PolarHBondContact O-N 3.46Å
215	E	92.3	Very high	92.2	Very high	94 Å²	94	43.3 Å²	43.3	44%	0.439	22%	0.215	S	C	.	.	H	α-helix	trans	-60.2	-44.3	174.7	-69.4	-179.1	-160	0	0	112.3	K211 V212 F213 A217 F218 D219 K267	K211-E215 PolarHBondContact O-N 3.42Å; V212-E215 WeakPolarHBondContact O-CB 3.44Å; V212-E215 PolarHBondContact O-N 3.29Å; F213-E215 VanDerWaalsContact C-N 3.33Å; F213-E215 PolarHBondContact O-N 3.45Å; E215-A217 VanDerWaalsContact C-N 3.31Å; E215-A217 PolarHBondContact O-N 3.5Å; E215-F218 PolarHBondContact O-N 2.94Å; E215-D219 PolarHBondContact O-N 3.06Å; E215-K267 HydrophobicContact CB-CD 4.4Å; E215-K267 IonicContact OE2-NZ 2.89Å
216	V	93.8	Very high	92.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-62.8	-40.2	174.9	176.1	0	0	0	0	111.2	V212 F213 K214 F218 D219 L220 F225 K267 L270 I274	V212-V216 PolarHBondContact O-N 2.96Å; V212-V216 VanDerWaalsContact O-N 3.07Å; F213-V216 PolarHBondContact O-N 3.45Å; K214-V216 PolarHBondContact O-N 3.41Å; V216-F218 VanDerWaalsContact C-N 3.28Å; V216-F218 PolarHBondContact O-N 3.39Å; V216-D219 PolarHBondContact O-N 3.45Å; V216-D219 VanDerWaalsContact O-N 3.08Å; V216-L220 HydrophobicContact CG1-CD1 3.72Å; V216-L220 HydrophobicContact CG1-CG 4.14Å; V216-L220 PolarHBondContact O-N 3.49Å; V216-F225 HydrophobicContact CG1-CE1 4.32Å; V216-F225 HydrophobicContact CG1-CZ 4.34Å; V216-K267 HydrophobicContact CG2-CB 4.47Å; V216-K267 HydrophobicContact CG2-CG 3.67Å; V216-L270 HydrophobicContact CB-CD2 4.21Å; V216-L270 HydrophobicContact CG1-CD2 4.38Å; V216-L270 HydrophobicContact CG1-CG 4.38Å; V216-L270 HydrophobicContact CG2-CB 4.46Å; V216-L270 HydrophobicContact CG2-CD2 3.93Å; V216-L270 HydrophobicContact CG2-CG 4.3Å; V216-I274 HydrophobicContact CG1-CD1 3.74Å
217	A	93.9	Very high	92.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-61.7	-33.9	177.5	0	0	0	0	0	113.1	T178 F213 K214 E215 F225	T178-A217 HydrophobicContact CG2-CB 3.62Å; F213-A217 PolarHBondContact O-N 2.62Å; K214-A217 WeakPolarHBondContact O-CB 3.26Å; K214-A217 PolarHBondContact O-N 3.48Å; E215-A217 VanDerWaalsContact C-N 3.31Å; E215-A217 PolarHBondContact O-N 3.5Å; A217-F225 HydrophobicContact CB-CB 3.67Å; A217-F225 HydrophobicContact CB-CD1 3.54Å; A217-F225 HydrophobicContact CB-CD2 3.83Å; A217-F225 HydrophobicContact CB-CE1 4.11Å; A217-F225 HydrophobicContact CB-CE2 4.38Å; A217-F225 HydrophobicContact CB-CG 3.38Å
218	F	90.2	Very high	92.8	Very high	55 Å²	55	33.9 Å²	33.9	24%	0.241	17%	0.167	C	C	.	.	H	α-helix	trans	-70.6	-32.7	173.1	-70.6	-57.4	0	0	0	112.7	R172 R173 G177 K214 E215 V216	R172-F218 HydrophobicContact CG-CD1 4.18Å; R172-F218 WeakPolarHBondContact O-CD1 3.35Å; R172-F218 VanDerWaalsContact O-CE1 3.25Å; R172-F218 WeakPolarHBondContact O-CE1 3.4Å; R173-F218 HydrophobicContact CG-CB 4.5Å; R173-F218 HydrophobicContact CG-CD1 3.97Å; R173-F218 HydrophobicContact CG-CG 4.45Å; R173-F218 PolarHBondContact NH1-O 3.34Å; G177-F218 VanDerWaalsContact CA-CE1 3.4Å; K214-F218 WeakPolarHBondContact O-CD2 3.19Å; K214-F218 PolarHBondContact O-N 3.46Å; E215-F218 PolarHBondContact O-N 2.94Å; V216-F218 VanDerWaalsContact C-N 3.28Å; V216-F218 PolarHBondContact O-N 3.39Å
219	D	87.1	Confident	92.9	Very high	54 Å²	54	29.6 Å²	29.6	29%	0.289	15%	0.153	S	C	.	.	H	α-helix	trans	-84.5	-28.6	-175.2	-69	-19.9	0	0	0	113.3	R173 E215 V216 T221 K267	R173-D219 IonicContact CZ-OD1 3.34Å; R173-D219 IonicContact NH2-OD1 2.79Å; R173-D219 PolarHBondContact NH2-OD1 3.39Å; E215-D219 PolarHBondContact O-N 3.06Å; V216-D219 PolarHBondContact O-N 3.45Å; V216-D219 VanDerWaalsContact O-N 3.08Å; D219-T221 PolarHBondContact O-N 2.96Å; D219-K267 WeakPolarHBondContact OD2-CE 3.49Å; D219-K267 IonicContact OD2-NZ 3.75Å; D219-K267 PolarHBondContact OD2-NZ 3.13Å
220	L	88.1	Confident	93.1	Very high	22 Å²	22	29.8 Å²	29.8	12%	0.115	15%	0.153	C	C	.	.			trans	-99.8	80.2	-178	-63.9	-174	0	0	0	112.2	V216 D222 V223 F225 T271 I274	V216-L220 HydrophobicContact CG1-CD1 3.72Å; V216-L220 HydrophobicContact CG1-CG 4.14Å; V216-L220 PolarHBondContact O-N 3.49Å; L220-D222 VanDerWaalsContact C-N 3.31Å; L220-D222 PolarHBondContact O-N 3.35Å; L220-V223 PolarHBondContact O-N 2.88Å; L220-F225 HydrophobicContact CB-CE2 3.82Å; L220-F225 HydrophobicContact CB-CZ 3.84Å; L220-F225 HydrophobicContact CD1-CZ 4.13Å; L220-F225 WeakPolarHBondContact O-CE2 3.43Å; L220-T271 HydrophobicContact CD1-CG2 4.39Å; L220-T271 HydrophobicContact CD2-CG2 4.21Å; L220-I274 HydrophobicContact CD1-CB 3.91Å; L220-I274 HydrophobicContact CD1-CD1 3.92Å; L220-I274 HydrophobicContact CD1-CG2 3.68Å
221	T	86.1	Confident	93.2	Very high	20 Å²	20	34.1 Å²	34.1	12%	0.123	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-18.9	-176.1	57	0	0	0	0	115	W169 D219 V223	W169-T221 HydrophobicContact CB-CG2 4.05Å; W169-T221 HydrophobicContact CG-CG2 4.24Å; D219-T221 PolarHBondContact O-N 2.96Å; T221-V223 PolarHBondContact O-N 2.87Å
222	D	81.4	Confident	93.4	Very high	76 Å²	76	35.4 Å²	35.4	41%	0.406	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	0.8	-178.6	-68	-6.4	0	0	0	112.7	K160 L220 K292	K160-D222 IonicContact NZ-OD1 3.51Å; K160-D222 PolarHBondContact NZ-OD1 3.15Å; K160-D222 VanDerWaalsContact NZ-OD1 3.13Å; K160-D222 IonicContact NZ-OD2 2.75Å; K160-D222 PolarHBondContact NZ-OD2 3.35Å; L220-D222 VanDerWaalsContact C-N 3.31Å; L220-D222 PolarHBondContact O-N 3.35Å; D222-K292 IonicContact OD2-NZ 3.48Å
223	V	89.3	Confident	93.5	Very high	12 Å²	12	34 Å²	34	7%	0.073	18%	0.181	C	C	.	.	S	Bend	trans	-134.6	146.7	-175.9	-176.5	0	0	0	0	109.9	I196 V198 L220 T221 F225 I274	I196-V223 HydrophobicContact CB-CG1 4.37Å; I196-V223 HydrophobicContact CG2-CG1 3.78Å; I196-V223 HydrophobicContact CG2-CG2 4.46Å; V198-V223 HydrophobicContact CB-CG1 4.38Å; V198-V223 HydrophobicContact CG2-CG1 3.59Å; L220-V223 PolarHBondContact O-N 2.88Å; T221-V223 PolarHBondContact O-N 2.87Å; V223-F225 HydrophobicContact CB-CE2 3.95Å; V223-F225 HydrophobicContact CG1-CE2 4.21Å; V223-F225 WeakPolarHBondContact O-CD2 3.1Å; V223-I274 HydrophobicContact CG2-CG2 4.41Å
224	E	92.1	Very high	93.6	Very high	56 Å²	56	34.7 Å²	34.7	26%	0.262	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	133.9	177.6	-67.6	-56	147.5	0	0	112.5	R172 F190 H194 S197 V198	R172-E224 IonicContact CZ-OE2 2.94Å; R172-E224 IonicContact NH1-OE2 3.17Å; R172-E224 PolarHBondContact NH1-OE2 2.82Å; R172-E224 IonicContact NH2-OE1 3.66Å; R172-E224 PolarHBondContact NH2-OE1 2.75Å; R172-E224 IonicContact NH2-OE2 2.74Å; R172-E224 PolarHBondContact NH2-OE2 2.85Å; F190-E224 HydrophobicContact CE2-CB 4.21Å; F190-E224 HydrophobicContact CZ-CB 3.77Å; H194-E224 HydrophobicContact CB-CB 4.42Å; H194-E224 HydrophobicContact CB-CG 4.33Å; H194-E224 VanDerWaalsContact CD2-CG 3.48Å; H194-E224 WeakPolarHBondContact CD2-CG 3.2Å; S197-E224 WeakPolarHBondContact CA-O 3.34Å; V198-E224 PolarHBondContact N-O 3.01Å
225	F	97	Very high	93.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	130	-176.5	-70.7	-100.2	0	0	0	112.4	T178 S179 F190 V198 F213 V216 A217 L220 V223 I274	T178-F225 WeakPolarHBondContact CA-O 3.34Å; T178-F225 HydrophobicContact CG2-CB 3.92Å; S179-F225 PolarHBondContact N-O 3.14Å; F190-F225 WeakPolarHBondContact CZ-O 3.45Å; V198-F225 HydrophobicContact CB-CD1 3.91Å; V198-F225 HydrophobicContact CB-CE1 3.83Å; V198-F225 HydrophobicContact CB-CZ 4.38Å; V198-F225 HydrophobicContact CG1-CD1 4.02Å; V198-F225 HydrophobicContact CG1-CE1 3.8Å; V198-F225 HydrophobicContact CG2-CE1 4.4Å; V198-F225 CarbonylContact O-C 3.53Å; V198-F225 WeakPolarHBondContact O-CA 3.38Å; F213-F225 HydrophobicContact CE1-CD1 4.16Å; F213-F225 AromaticContact CE2-CD1 3.92Å; F213-F225 HydrophobicContact CE2-CD1 3.92Å; F213-F225 HydrophobicContact CE2-CE1 4.24Å; F213-F225 AromaticContact CZ-CD1 3.58Å; F213-F225 HydrophobicContact CZ-CD1 3.58Å; F213-F225 HydrophobicContact CZ-CE1 4.35Å; V216-F225 HydrophobicContact CG1-CE1 4.32Å; V216-F225 HydrophobicContact CG1-CZ 4.34Å; A217-F225 HydrophobicContact CB-CB 3.67Å; A217-F225 HydrophobicContact CB-CD1 3.54Å; A217-F225 HydrophobicContact CB-CD2 3.83Å; A217-F225 HydrophobicContact CB-CE1 4.11Å; A217-F225 HydrophobicContact CB-CE2 4.38Å; A217-F225 HydrophobicContact CB-CG 3.38Å; L220-F225 HydrophobicContact CB-CE2 3.82Å; L220-F225 HydrophobicContact CB-CZ 3.84Å; L220-F225 HydrophobicContact CD1-CZ 4.13Å; L220-F225 WeakPolarHBondContact O-CE2 3.43Å; V223-F225 HydrophobicContact CB-CE2 3.95Å; V223-F225 HydrophobicContact CG1-CE2 4.21Å; V223-F225 WeakPolarHBondContact O-CD2 3.1Å; F225-I274 HydrophobicContact CE1-CD1 3.8Å; F225-I274 HydrophobicContact CZ-CD1 3.95Å
226	G	97.3	Very high	94	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	156.2	171.1	0	0	0	0	0	110.8	S179 V198 V199 G200 F213	S179-G226 CarbonylContact O-C 3.5Å; S179-G226 VanDerWaalsContact O-CA 3.3Å; S179-G226 WeakPolarHBondContact O-CA 3.42Å; V198-G226 PolarHBondContact O-N 3.34Å; V199-G226 CarbonylContact C-O 3.47Å; V199-G226 VanDerWaalsContact CA-O 3.31Å; V199-G226 WeakPolarHBondContact CA-O 3.48Å; G200-G226 PolarHBondContact N-O 3.49Å; F213-G226 WeakPolarHBondContact CE1-O 3.2Å; F213-G226 WeakPolarHBondContact CZ-O 3.37Å
227	V	98	Very high	94.2	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.006	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	144.1	175.3	75.8	0	0	0	0	110.3	S179 N180 L181 G200 F202 L205 F213	S179-V227 PolarHBondContact O-N 3.22Å; N180-V227 WeakPolarHBondContact OD1-CG1 3.32Å; L181-V227 PolarHBondContact N-O 2.83Å; G200-V227 CarbonylContact O-C 3.51Å; G200-V227 WeakPolarHBondContact O-CA 3.47Å; G200-V227 WeakPolarHBondContact O-CG2 3.31Å; F202-V227 HydrophobicContact CD2-CG2 3.65Å; F202-V227 HydrophobicContact CE2-CG2 3.96Å; L205-V227 HydrophobicContact CD1-CG1 4.39Å; L205-V227 HydrophobicContact CD2-CB 4.43Å; L205-V227 HydrophobicContact CD2-CG1 4.23Å; L205-V227 HydrophobicContact CD2-CG2 3.49Å; L205-V227 VanDerWaalsContact CD2-CG2 3.49Å; F213-V227 HydrophobicContact CD1-CG2 4.49Å; F213-V227 HydrophobicContact CE1-CB 4.36Å; F213-V227 HydrophobicContact CE1-CG2 4.43Å
228	T	98.2	Very high	94.3	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	144.6	178	-169.5	0	0	0	0	111.6	L181 V199 G200 F201 F202 T230 V233 F234	L181-T228 WeakPolarHBondContact O-CB 3.17Å; L181-T228 PolarHBondContact O-OG1 3.38Å; V199-T228 HydrophobicContact CG1-CG2 4.37Å; G200-T228 PolarHBondContact O-N 3.04Å; F201-T228 HydrophobicContact CD1-CG2 3.51Å; F201-T228 HydrophobicContact CE1-CG2 3.82Å; F201-T228 HydrophobicContact CG-CG2 4.04Å; F202-T228 PolarHBondContact N-O 2.88Å; T228-T230 PolarHBondContact OG1-N 3.45Å; T228-T230 VanDerWaalsContact OG1-N 3.11Å; T228-V233 HydrophobicContact CG2-CB 4.23Å; T228-V233 HydrophobicContact CG2-CG1 3.86Å; T228-F234 HydrophobicContact CG2-CD2 4.28Å; T228-F234 HydrophobicContact CG2-CE2 4.08Å
229	A	97.4	Very high	94.6	Very high	38 Å²	38	48.2 Å²	48.2	31%	0.314	25%	0.246	S	C	.	.			trans	-118.7	11.4	164.8	0	0	0	0	0	111.7	F202 L205 P231	F202-A229 WeakPolarHBondContact O-CA 3.31Å; F202-A229 WeakPolarHBondContact O-CB 3.5Å; L205-A229 HydrophobicContact CD2-CB 4.01Å; L205-A229 HydrophobicContact CG-CB 3.98Å; A229-P231 WeakPolarHBondContact O-CD 3.29Å
230	T	97.8	Very high	94.9	Very high	26 Å²	26	55.3 Å²	55.3	16%	0.16	28%	0.275	C	S	.	.			trans	-85.4	117.6	-173	-62.1	0	0	0	0	110.9	D182 T228 E232 V233 F234	D182-T230 WeakPolarHBondContact CA-OG1 3.46Å; D182-T230 VanDerWaalsContact O-CG2 3.28Å; D182-T230 WeakPolarHBondContact O-CG2 3.49Å; D182-T230 PolarHBondContact O-OG1 2.77Å; T228-T230 PolarHBondContact OG1-N 3.45Å; T228-T230 VanDerWaalsContact OG1-N 3.11Å; T230-E232 VanDerWaalsContact C-N 3.26Å; T230-E232 HydrophobicContact CG2-CB 4.18Å; T230-E232 WeakPolarHBondContact CG2-OE2 3.47Å; T230-E232 PolarHBondContact O-N 2.85Å; T230-V233 HydrophobicContact CG2-CG2 3.92Å; T230-V233 WeakPolarHBondContact O-CB 3.4Å; T230-V233 PolarHBondContact O-N 2.61Å; T230-F234 WeakPolarHBondContact O-CD2 3.22Å; T230-F234 PolarHBondContact O-N 2.92Å
231	P	97.2	Very high	95.1	Very high	92 Å²	92	57.1 Å²	57.1	60%	0.597	29%	0.289	S	S	*	.	H	α-helix	trans	-56.9	-33.8	-177.8	-27.1	36.2	0	0	0	114.7	A229 V233 F234 Q235	A229-P231 WeakPolarHBondContact O-CD 3.29Å; P231-V233 VanDerWaalsContact C-N 3.29Å; P231-V233 PolarHBondContact O-N 3.47Å; P231-F234 WeakPolarHBondContact O-CB 3.41Å; P231-F234 PolarHBondContact O-N 2.91Å; P231-Q235 PolarHBondContact O-N 3.3Å
232	E	97.9	Very high	95.5	Very high	114 Å²	114	57.9 Å²	57.9	53%	0.533	29%	0.292	S	S	.	.	H	α-helix	trans	-65.8	-33.6	177.5	-64.5	75.7	-169	0	0	111.9	V184 T230 K236	V184-E232 HydrophobicContact CG2-CB 3.99Å; T230-E232 VanDerWaalsContact C-N 3.26Å; T230-E232 HydrophobicContact CG2-CB 4.18Å; T230-E232 WeakPolarHBondContact CG2-OE2 3.47Å; T230-E232 PolarHBondContact O-N 2.85Å; E232-K236 WeakPolarHBondContact O-CB 3.3Å; E232-K236 PolarHBondContact O-N 2.82Å
233	V	97.9	Very high	96.2	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-73.1	-42.2	176	-175.4	0	0	0	0	109.8	V184 A187 F201 T228 T230 P231 Q235 K236 Y237	V184-V233 HydrophobicContact CG2-CG2 4.23Å; A187-V233 HydrophobicContact CB-CG1 3.76Å; F201-V233 HydrophobicContact CE1-CG1 4.01Å; T228-V233 HydrophobicContact CG2-CB 4.23Å; T228-V233 HydrophobicContact CG2-CG1 3.86Å; T230-V233 HydrophobicContact CG2-CG2 3.92Å; T230-V233 WeakPolarHBondContact O-CB 3.4Å; T230-V233 PolarHBondContact O-N 2.61Å; P231-V233 VanDerWaalsContact C-N 3.29Å; P231-V233 PolarHBondContact O-N 3.47Å; V233-Q235 VanDerWaalsContact C-N 3.33Å; V233-Q235 PolarHBondContact O-N 2.89Å; V233-K236 PolarHBondContact O-N 3.34Å; V233-Y237 HydrophobicContact CG1-CD2 3.92Å; V233-Y237 HydrophobicContact CG1-CE2 4.06Å; V233-Y237 VanDerWaalsContact O-CD2 3.31Å; V233-Y237 WeakPolarHBondContact O-CD2 3.39Å; V233-Y237 PolarHBondContact O-N 2.9Å
234	F	98.1	Very high	96.6	Very high	15 Å²	15	53.9 Å²	53.9	7%	0.066	27%	0.271	C	S	.	.	H	α-helix	trans	-54.5	-49.9	171.4	-83.4	-117.6	0	0	0	111.3	F201 T228 T230 P231 K236 Y237 E238 V239	F201-F234 VanDerWaalsContact C-CZ 3.45Å; F201-F234 HydrophobicContact CB-CD1 4.36Å; F201-F234 HydrophobicContact CB-CD2 4.46Å; F201-F234 HydrophobicContact CB-CE1 3.8Å; F201-F234 HydrophobicContact CB-CE2 3.92Å; F201-F234 HydrophobicContact CB-CZ 3.58Å; F201-F234 HydrophobicContact CD1-CD1 4.33Å; F201-F234 AromaticContact CD1-CD2 3.72Å; F201-F234 HydrophobicContact CD1-CD2 3.72Å; F201-F234 AromaticContact CD1-CE2 3.95Å; F201-F234 HydrophobicContact CD1-CE2 3.95Å; F201-F234 AromaticContact CD1-CG 3.95Å; F201-F234 HydrophobicContact CD1-CG 3.95Å; F201-F234 HydrophobicContact CD1-CZ 4.37Å; F201-F234 HydrophobicContact CG-CE2 4.43Å; F201-F234 HydrophobicContact CG-CZ 4.5Å; T228-F234 HydrophobicContact CG2-CD2 4.28Å; T228-F234 HydrophobicContact CG2-CE2 4.08Å; T230-F234 WeakPolarHBondContact O-CD2 3.22Å; T230-F234 PolarHBondContact O-N 2.92Å; P231-F234 WeakPolarHBondContact O-CB 3.41Å; P231-F234 PolarHBondContact O-N 2.91Å; F234-K236 PolarHBondContact O-N 3.5Å; F234-Y237 CarbonylContact O-C 3.51Å; F234-Y237 PolarHBondContact O-N 2.85Å; F234-E238 PolarHBondContact O-N 2.88Å; F234-V239 HydrophobicContact CD1-CB 4.21Å; F234-V239 HydrophobicContact CD1-CG1 3.88Å; F234-V239 HydrophobicContact CE1-CG1 4.16Å; F234-V239 PolarHBondContact O-N 3.28Å
235	Q	97.8	Very high	96.9	Very high	158 Å²	158	51.2 Å²	51.2	74%	0.738	26%	0.258	S	S	*	.	H	α-helix	trans	-61.9	-43.9	179.9	-173.1	178.8	39.3	0	0	112	P231 V233 Y237 E238	P231-Q235 PolarHBondContact O-N 3.3Å; V233-Q235 VanDerWaalsContact C-N 3.33Å; V233-Q235 PolarHBondContact O-N 2.89Å; Q235-Y237 VanDerWaalsContact C-N 3.26Å; Q235-Y237 PolarHBondContact O-N 3.46Å; Q235-E238 PolarHBondContact O-N 3.2Å
236	K	97.6	Very high	96.9	Very high	128 Å²	128	51.2 Å²	51.2	56%	0.557	26%	0.258	S	S	*	.	H	α-helix	trans	-58.6	-38.4	179.9	175.9	63.5	178.5	176.9	0	112.7	V184 E232 V233 F234	V184-K236 HydrophobicContact CG1-CB 4.25Å; V184-K236 HydrophobicContact CG1-CD 4.12Å; V184-K236 HydrophobicContact CG1-CG 3.84Å; V184-K236 HydrophobicContact CG2-CB 4.21Å; E232-K236 WeakPolarHBondContact O-CB 3.3Å; E232-K236 PolarHBondContact O-N 2.82Å; V233-K236 PolarHBondContact O-N 3.34Å; F234-K236 PolarHBondContact O-N 3.5Å
237	Y	97	Very high	97	Very high	28 Å²	28	52 Å²	52	11%	0.11	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	12.7	-178.4	-66.1	-76	0	0	0	113.1	A187 A188 I191 F201 V233 F234 Q235 V239 F247 R254	A187-Y237 HydrophobicContact CB-CE2 3.84Å; A188-Y237 VanDerWaalsContact CA-OH 3.22Å; A188-Y237 WeakPolarHBondContact CA-OH 3.49Å; A188-Y237 PolarHBondContact N-OH 2.92Å; I191-Y237 HydrophobicContact CD1-CD1 4.36Å; I191-Y237 HydrophobicContact CD1-CE1 3.58Å; I191-Y237 HydrophobicContact CD1-CE2 4.05Å; I191-Y237 VanDerWaalsContact CD1-CZ 3.4Å; I191-Y237 WeakPolarHBondContact CD1-OH 3.3Å; F201-Y237 HydrophobicContact CE1-CD2 4.25Å; F201-Y237 HydrophobicContact CZ-CD2 4.05Å; F201-Y237 HydrophobicContact CZ-CG 4.12Å; V233-Y237 HydrophobicContact CG1-CD2 3.92Å; V233-Y237 HydrophobicContact CG1-CE2 4.06Å; V233-Y237 VanDerWaalsContact O-CD2 3.31Å; V233-Y237 WeakPolarHBondContact O-CD2 3.39Å; V233-Y237 PolarHBondContact O-N 2.9Å; F234-Y237 CarbonylContact O-C 3.51Å; F234-Y237 PolarHBondContact O-N 2.85Å; Q235-Y237 VanDerWaalsContact C-N 3.26Å; Q235-Y237 PolarHBondContact O-N 3.46Å; Y237-V239 PolarHBondContact O-N 3.33Å; Y237-F247 AromaticContact CD1-CE1 3.66Å; Y237-F247 HydrophobicContact CD1-CE1 3.66Å; Y237-F247 AromaticContact CD1-CZ 3.53Å; Y237-F247 HydrophobicContact CD1-CZ 3.53Å; Y237-F247 HydrophobicContact CE1-CE1 4.01Å; Y237-F247 HydrophobicContact CE1-CZ 4.01Å; Y237-F247 HydrophobicContact CG-CZ 4.01Å; Y237-R254 VanDerWaalsContact O-CZ 3.25Å; Y237-R254 PolarHBondContact O-NH1 3.45Å; Y237-R254 PolarHBondContact O-NH2 3.27Å
238	E	97.1	Very high	96.8	Very high	159 Å²	159	52.9 Å²	52.9	74%	0.743	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	29.1	175.8	-53.1	-176.9	160.8	0	0	114	F234 Q235	F234-E238 PolarHBondContact O-N 2.88Å; Q235-E238 PolarHBondContact O-N 3.2Å
239	V	96.6	Very high	96.6	Very high	13 Å²	13	58.5 Å²	58.5	8%	0.079	29%	0.29	C	S	.	.			trans	-90.3	127.6	177.6	178.6	0	0	0	0	109.5	F201 F234 Y237 S241 S243 V245	F201-V239 HydrophobicContact CB-CG1 3.79Å; F201-V239 HydrophobicContact CD1-CB 3.98Å; F201-V239 HydrophobicContact CD1-CG1 4.12Å; F201-V239 HydrophobicContact CD1-CG2 4Å; F201-V239 HydrophobicContact CD2-CG1 4.47Å; F201-V239 HydrophobicContact CD2-CG2 4.06Å; F201-V239 HydrophobicContact CE1-CB 4.32Å; F201-V239 HydrophobicContact CE1-CG2 3.98Å; F201-V239 HydrophobicContact CE2-CG2 4.06Å; F201-V239 HydrophobicContact CG-CB 4.18Å; F201-V239 HydrophobicContact CG-CG1 3.89Å; F201-V239 HydrophobicContact CG-CG2 4.04Å; F201-V239 HydrophobicContact CZ-CG2 4.02Å; F234-V239 HydrophobicContact CD1-CB 4.21Å; F234-V239 HydrophobicContact CD1-CG1 3.88Å; F234-V239 HydrophobicContact CE1-CG1 4.16Å; F234-V239 PolarHBondContact O-N 3.28Å; Y237-V239 PolarHBondContact O-N 3.33Å; V239-S241 WeakPolarHBondContact CG1-O 3.39Å; V239-S243 WeakPolarHBondContact CG1-OG 3.47Å; V239-V245 HydrophobicContact CG2-CG2 3.87Å
240	K	92.8	Very high	96.3	Very high	204 Å²	204	58.4 Å²	58.4	89%	0.887	28%	0.282	S	S	*	.			trans	-103.8	-21.1	-171	-64.3	180	-177.4	172.4	0	114.7
241	S	92.1	Very high	95.9	Very high	59 Å²	59	59.3 Å²	59.3	41%	0.413	29%	0.286	S	S	.	.	S	Bend	trans	-149.4	178	-174.1	58.4	0	0	0	0	109.1	V239 S243	V239-S241 WeakPolarHBondContact CG1-O 3.39Å; S241-S243 PolarHBondContact O-N 3.32Å
242	D	94.8	Very high	95.5	Very high	37 Å²	37	59.4 Å²	59.4	20%	0.198	28%	0.282	C	S	.	.	S	Bend	trans	-55.2	126.6	173.4	-72.5	13.8	0	0	0	110	F201 F202 N203 W259	F201-D242 CarbonylContact O-C 3.51Å; F201-D242 VanDerWaalsContact O-CA 3.23Å; F201-D242 WeakPolarHBondContact O-CA 3.46Å; F202-D242 HydrophobicContact CD1-CB 4.26Å; N203-D242 WeakPolarHBondContact CB-OD1 3.4Å; N203-D242 PolarHBondContact N-OD1 2.99Å; N203-D242 PolarHBondContact ND2-OD1 2.95Å; D242-W259 HydrophobicContact CB-CZ2 4.04Å
243	S	96.1	Very high	95.3	Very high	3 Å²	3	55 Å²	55	2%	0.021	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	167	-179	74.3	0	0	0	0	111.2	F201 V239 S241	F201-S243 PolarHBondContact N-O 2.79Å; F201-S243 PolarHBondContact O-N 3.1Å; V239-S243 WeakPolarHBondContact CG1-OG 3.47Å; S241-S243 PolarHBondContact O-N 3.32Å
244	V	98.1	Very high	95.2	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	128.5	167.2	175.8	0	0	0	0	108	V198 F202 F213 Y257 W259 L270	V198-V244 HydrophobicContact CG1-CG1 3.41Å; V198-V244 VanDerWaalsContact CG1-CG1 3.41Å; F202-V244 HydrophobicContact CZ-CG2 4.19Å; F213-V244 HydrophobicContact CD2-CG1 4.19Å; F213-V244 HydrophobicContact CD2-CG2 3.56Å; F213-V244 HydrophobicContact CE2-CB 4.42Å; F213-V244 HydrophobicContact CE2-CG1 3.68Å; F213-V244 HydrophobicContact CE2-CG2 3.84Å; V244-Y257 PolarHBondContact N-O 3.47Å; V244-Y257 WeakPolarHBondContact O-CA 3.41Å; V244-Y257 WeakPolarHBondContact O-CB 3.27Å; V244-Y257 PolarHBondContact O-N 3.34Å; V244-W259 HydrophobicContact CG2-CH2 4.22Å; V244-W259 HydrophobicContact CG2-CZ3 4.02Å; V244-L270 HydrophobicContact CB-CD1 4.06Å; V244-L270 HydrophobicContact CG1-CD1 3.93Å; V244-L270 HydrophobicContact CG2-CD1 4.13Å; V244-L270 HydrophobicContact CG2-CD2 4.33Å
245	V	98.3	Very high	95.1	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	125.5	178.9	-175.4	0	0	0	0	109.4	V198 V199 F201 V239 F247 R254 D256	V198-V245 WeakPolarHBondContact CA-O 3.47Å; V199-V245 PolarHBondContact N-O 3.16Å; V199-V245 PolarHBondContact O-N 3.01Å; F201-V245 HydrophobicContact CD2-CB 4.35Å; F201-V245 HydrophobicContact CD2-CG2 3.84Å; F201-V245 HydrophobicContact CE2-CB 3.87Å; F201-V245 HydrophobicContact CE2-CG2 3.68Å; V239-V245 HydrophobicContact CG2-CG2 3.87Å; V245-F247 HydrophobicContact CB-CD2 4.5Å; V245-F247 HydrophobicContact CB-CE2 3.8Å; V245-F247 HydrophobicContact CB-CZ 4.03Å; V245-F247 HydrophobicContact CG1-CD1 4.34Å; V245-F247 HydrophobicContact CG1-CD2 4.06Å; V245-F247 HydrophobicContact CG1-CE1 3.85Å; V245-F247 HydrophobicContact CG1-CE2 3.52Å; V245-F247 HydrophobicContact CG1-CG 4.44Å; V245-F247 HydrophobicContact CG1-CZ 3.41Å; V245-F247 VanDerWaalsContact CG1-CZ 3.41Å; V245-R254 HydrophobicContact CG1-CG 3.84Å; V245-D256 WeakPolarHBondContact CG1-OD1 3.46Å
246	L	98.1	Very high	95	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	121.3	170	-176.3	155.2	0	0	0	108.7	I196 V198 K248 R254 E255 F273 I274 N277	I196-L246 HydrophobicContact CG2-CD1 4.23Å; I196-L246 HydrophobicContact CG2-CD2 4.19Å; I196-L246 HydrophobicContact CG2-CG 4.09Å; V198-L246 HydrophobicContact CG2-CB 4.29Å; V198-L246 HydrophobicContact CG2-CD1 4.08Å; V198-L246 HydrophobicContact CG2-CG 4.06Å; L246-K248 HydrophobicContact CD2-CB 4.02Å; L246-K248 HydrophobicContact CD2-CD 4.04Å; L246-K248 HydrophobicContact CD2-CG 3.96Å; L246-R254 CarbonylContact O-C 3.55Å; L246-R254 VanDerWaalsContact O-CA 3.3Å; L246-R254 WeakPolarHBondContact O-CA 3.38Å; L246-E255 HydrophobicContact CB-CB 4.48Å; L246-E255 PolarHBondContact N-O 3.42Å; L246-E255 PolarHBondContact O-N 3.33Å; L246-F273 HydrophobicContact CB-CE1 4.14Å; L246-F273 HydrophobicContact CB-CZ 4.49Å; L246-I274 HydrophobicContact CD1-CG2 4.26Å; L246-N277 HydrophobicContact CD1-CB 4.04Å
247	F	97.6	Very high	95	Very high	18 Å²	18	51.1 Å²	51.1	8%	0.079	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	136.8	171.6	-60.5	-85	0	0	0	109.7	I191 I196 S197 V199 F201 Y237 V245 G253 R254	I191-F247 HydrophobicContact CD1-CD1 4.36Å; I191-F247 HydrophobicContact CD1-CD2 3.62Å; I191-F247 HydrophobicContact CD1-CE1 4.26Å; I191-F247 HydrophobicContact CD1-CE2 3.49Å; I191-F247 VanDerWaalsContact CD1-CE2 3.49Å; I191-F247 HydrophobicContact CD1-CG 4.05Å; I191-F247 HydrophobicContact CD1-CZ 3.83Å; I191-F247 HydrophobicContact CG1-CB 4.46Å; I191-F247 HydrophobicContact CG1-CD2 3.76Å; I191-F247 HydrophobicContact CG1-CE2 4.15Å; I191-F247 HydrophobicContact CG1-CG 4.08Å; I191-F247 HydrophobicContact CG2-CB 3.67Å; I191-F247 HydrophobicContact CG2-CD1 4.09Å; I191-F247 HydrophobicContact CG2-CD2 4.34Å; I191-F247 HydrophobicContact CG2-CG 3.77Å; I196-F247 CarbonylContact C-O 3.36Å; I196-F247 WeakPolarHBondContact CA-O 3.38Å; S197-F247 PolarHBondContact N-O 3.41Å; S197-F247 PolarHBondContact O-N 3.45Å; V199-F247 HydrophobicContact CB-CE2 4.09Å; V199-F247 HydrophobicContact CG2-CD2 4.05Å; V199-F247 HydrophobicContact CG2-CE2 3.95Å; F201-F247 HydrophobicContact CE2-CE2 4.36Å; Y237-F247 AromaticContact CD1-CE1 3.66Å; Y237-F247 HydrophobicContact CD1-CE1 3.66Å; Y237-F247 AromaticContact CD1-CZ 3.53Å; Y237-F247 HydrophobicContact CD1-CZ 3.53Å; Y237-F247 HydrophobicContact CE1-CE1 4.01Å; Y237-F247 HydrophobicContact CE1-CZ 4.01Å; Y237-F247 HydrophobicContact CG-CZ 4.01Å; V245-F247 HydrophobicContact CB-CD2 4.5Å; V245-F247 HydrophobicContact CB-CE2 3.8Å; V245-F247 HydrophobicContact CB-CZ 4.03Å; V245-F247 HydrophobicContact CG1-CD1 4.34Å; V245-F247 HydrophobicContact CG1-CD2 4.06Å; V245-F247 HydrophobicContact CG1-CE1 3.85Å; V245-F247 HydrophobicContact CG1-CE2 3.52Å; V245-F247 HydrophobicContact CG1-CG 4.44Å; V245-F247 HydrophobicContact CG1-CZ 3.41Å; V245-F247 VanDerWaalsContact CG1-CZ 3.41Å; F247-G253 WeakPolarHBondContact CA-O 3.45Å; F247-R254 HydrophobicContact CE1-CG 4.46Å
248	K	94.8	Very high	94.6	Very high	19 Å²	19	54.1 Å²	54.1	8%	0.083	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	154.5	-178.5	48.6	178.7	172	-172.1	0	110.9	N195 L246 F250 G253 E255	N195-K248 WeakPolarHBondContact O-CA 3.45Å; L246-K248 HydrophobicContact CD2-CB 4.02Å; L246-K248 HydrophobicContact CD2-CD 4.04Å; L246-K248 HydrophobicContact CD2-CG 3.96Å; K248-F250 VanDerWaalsContact C-N 3.3Å; K248-F250 HydrophobicContact CB-CD1 4.18Å; K248-F250 HydrophobicContact CB-CD2 4.38Å; K248-F250 HydrophobicContact CB-CE1 3.91Å; K248-F250 HydrophobicContact CB-CE2 4.15Å; K248-F250 HydrophobicContact CB-CG 4.41Å; K248-F250 HydrophobicContact CB-CZ 3.89Å; K248-F250 HydrophobicContact CD-CD2 3.7Å; K248-F250 HydrophobicContact CD-CE2 3.38Å; K248-F250 HydrophobicContact CD-CG 4.48Å; K248-F250 HydrophobicContact CD-CZ 3.91Å; K248-F250 HydrophobicContact CG-CD2 4.4Å; K248-F250 HydrophobicContact CG-CE2 4.29Å; K248-F250 WeakPolarHBondContact CG-O 3.32Å; K248-G253 PolarHBondContact N-O 3.02Å; K248-G253 CarbonylContact O-C 3.52Å; K248-G253 WeakPolarHBondContact O-CA 3.41Å; K248-E255 IonicContact NZ-OE1 2.69Å; K248-E255 PolarHBondContact NZ-OE1 3.13Å; K248-E255 VanDerWaalsContact NZ-OE1 3.14Å
249	K	93	Very high	94.2	Very high	117 Å²	117	48.3 Å²	48.3	51%	0.509	24%	0.242	S	C	.	.	S	Bend	trans	-89.6	8	177.6	-68.6	-174.7	179.3	163.8	0	114.1	G192 T193 H194 N195	G192-K249 WeakPolarHBondContact O-CE 3.4Å; G192-K249 PolarHBondContact O-NZ 2.9Å; T193-K249 PolarHBondContact O-NZ 3.37Å; H194-K249 WeakPolarHBondContact O-CE 3.36Å; H194-K249 PolarHBondContact O-NZ 2.68Å; N195-K249 PolarHBondContact O-N 3.02Å
250	F	90.8	Very high	93.4	Very high	36 Å²	36	50.1 Å²	50.1	16%	0.158	26%	0.255	C	S	.	.	S	Bend	trans	-131.8	164.6	-177.2	53.3	-98	0	0	0	110.8	I196 K248 G253 L279 E280	I196-F250 HydrophobicContact CD1-CE1 4.03Å; I196-F250 HydrophobicContact CD1-CZ 4.03Å; I196-F250 HydrophobicContact CG1-CE1 3.88Å; I196-F250 HydrophobicContact CG1-CZ 4.2Å; K248-F250 VanDerWaalsContact C-N 3.3Å; K248-F250 HydrophobicContact CB-CD1 4.18Å; K248-F250 HydrophobicContact CB-CD2 4.38Å; K248-F250 HydrophobicContact CB-CE1 3.91Å; K248-F250 HydrophobicContact CB-CE2 4.15Å; K248-F250 HydrophobicContact CB-CG 4.41Å; K248-F250 HydrophobicContact CB-CZ 3.89Å; K248-F250 HydrophobicContact CD-CD2 3.7Å; K248-F250 HydrophobicContact CD-CE2 3.38Å; K248-F250 HydrophobicContact CD-CG 4.48Å; K248-F250 HydrophobicContact CD-CZ 3.91Å; K248-F250 HydrophobicContact CG-CD2 4.4Å; K248-F250 HydrophobicContact CG-CE2 4.29Å; K248-F250 WeakPolarHBondContact CG-O 3.32Å; F250-G253 PolarHBondContact O-N 3.14Å; F250-L279 WeakPolarHBondContact CE2-O 3.37Å; F250-E280 HydrophobicContact CB-CG 4.11Å; F250-E280 HydrophobicContact CD1-CG 4.09Å; F250-E280 HydrophobicContact CD2-CB 4.23Å; F250-E280 HydrophobicContact CD2-CG 3.6Å; F250-E280 HydrophobicContact CE1-CG 4.4Å; F250-E280 HydrophobicContact CE2-CB 4.44Å; F250-E280 HydrophobicContact CE2-CG 3.92Å; F250-E280 HydrophobicContact CG-CG 3.68Å; F250-E280 HydrophobicContact CZ-CG 4.33Å
251	D	89.9	Confident	92.3	Very high	45 Å²	45	50.3 Å²	50.3	24%	0.241	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	-132.9	-177.5	-53.4	-37.1	0	0	0	113	G253 E280 L281	D251-G253 PolarHBondContact O-N 3.07Å; D251-G253 VanDerWaalsContact O-N 3.17Å; D251-E280 WeakPolarHBondContact OD2-CA 3.3Å; D251-L281 HydrophobicContact CB-CD1 4.08Å; D251-L281 HydrophobicContact CB-CG 4.24Å; D251-L281 WeakPolarHBondContact OD2-CG 3.46Å; D251-L281 PolarHBondContact OD2-N 3Å
252	D	89.8	Confident	91.4	Very high	94 Å²	94	56.4 Å²	56.4	50%	0.503	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-6.8	-179.9	-66.2	-20.5	0	0	0	113.1	R254 K325	D252-R254 PolarHBondContact O-N 3.39Å; D252-K325 IonicContact OD1-NZ 2.66Å; D252-K325 PolarHBondContact OD1-NZ 2.97Å; D252-K325 WeakPolarHBondContact OD2-CE 3.37Å; D252-K325 IonicContact OD2-NZ 2.78Å; D252-K325 PolarHBondContact OD2-NZ 3.31Å
253	G	93.9	Very high	90.6	Very high	23 Å²	23	60.8 Å²	60.8	24%	0.237	30%	0.3	C	S	.	.	S	Bend	trans	73.7	-13.1	174.7	0	0	0	0	0	116.1	F247 K248 F250 D251	F247-G253 WeakPolarHBondContact CA-O 3.45Å; K248-G253 PolarHBondContact N-O 3.02Å; K248-G253 CarbonylContact O-C 3.52Å; K248-G253 WeakPolarHBondContact O-CA 3.41Å; F250-G253 PolarHBondContact O-N 3.14Å; D251-G253 PolarHBondContact O-N 3.07Å; D251-G253 VanDerWaalsContact O-N 3.17Å
254	R	95.4	Very high	90.1	Very high	70 Å²	70	69.5 Å²	69.5	26%	0.264	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	139.4	-174.2	178.4	176.4	172.3	165.2	3	111.9	Y237 V245 L246 F247 D252 D256	Y237-R254 VanDerWaalsContact O-CZ 3.25Å; Y237-R254 PolarHBondContact O-NH1 3.45Å; Y237-R254 PolarHBondContact O-NH2 3.27Å; V245-R254 HydrophobicContact CG1-CG 3.84Å; L246-R254 CarbonylContact O-C 3.55Å; L246-R254 VanDerWaalsContact O-CA 3.3Å; L246-R254 WeakPolarHBondContact O-CA 3.38Å; F247-R254 HydrophobicContact CE1-CG 4.46Å; D252-R254 PolarHBondContact O-N 3.39Å; R254-D256 VanDerWaalsContact CG-OD1 3.31Å; R254-D256 WeakPolarHBondContact CG-OD1 3.33Å; R254-D256 IonicContact CZ-OD1 2.84Å; R254-D256 IonicContact CZ-OD2 3.72Å; R254-D256 IonicContact NE-OD1 2.66Å; R254-D256 PolarHBondContact NE-OD1 3.23Å; R254-D256 IonicContact NE-OD2 3.14Å; R254-D256 PolarHBondContact NE-OD2 3.49Å; R254-D256 IonicContact NH2-OD1 2.68Å; R254-D256 PolarHBondContact NH2-OD1 3.15Å; R254-D256 IonicContact NH2-OD2 3.13Å; R254-D256 PolarHBondContact NH2-OD2 3.16Å
255	E	95.8	Very high	89.9	Confident	38 Å²	38	70 Å²	70	18%	0.178	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	129.2	170.5	-59.4	-82.2	179.6	0	0	108.8	L246 K248 F273 N277 K328	L246-E255 HydrophobicContact CB-CB 4.48Å; L246-E255 PolarHBondContact N-O 3.42Å; L246-E255 PolarHBondContact O-N 3.33Å; K248-E255 IonicContact NZ-OE1 2.69Å; K248-E255 PolarHBondContact NZ-OE1 3.13Å; K248-E255 VanDerWaalsContact NZ-OE1 3.14Å; E255-F273 HydrophobicContact CB-CE2 4.13Å; E255-F273 HydrophobicContact CB-CZ 3.72Å; E255-N277 HydrophobicContact CB-CB 4.28Å; E255-N277 VanDerWaalsContact CD-OD1 3.3Å; E255-N277 HydrophobicContact CG-CB 3.97Å; E255-N277 WeakPolarHBondContact CG-OD1 3.34Å; E255-N277 PolarHBondContact OE1-OD1 3.47Å; E255-K328 IonicContact OE1-NZ 3.63Å; E255-K328 PolarHBondContact OE1-NZ 3.08Å; E255-K328 IonicContact OE2-NZ 3.62Å; E255-K328 PolarHBondContact OE2-NZ 2.81Å
256	D	96.2	Very high	89.6	Confident	69 Å²	69	73.1 Å²	73.1	37%	0.369	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	125.4	-176.8	-71.7	26.4	0	0	0	109.5	V245 R254	V245-D256 WeakPolarHBondContact CG1-OD1 3.46Å; R254-D256 VanDerWaalsContact CG-OD1 3.31Å; R254-D256 WeakPolarHBondContact CG-OD1 3.33Å; R254-D256 IonicContact CZ-OD1 2.84Å; R254-D256 IonicContact CZ-OD2 3.72Å; R254-D256 IonicContact NE-OD1 2.66Å; R254-D256 PolarHBondContact NE-OD1 3.23Å; R254-D256 IonicContact NE-OD2 3.14Å; R254-D256 PolarHBondContact NE-OD2 3.49Å; R254-D256 IonicContact NH2-OD1 2.68Å; R254-D256 PolarHBondContact NH2-OD1 3.15Å; R254-D256 IonicContact NH2-OD2 3.13Å; R254-D256 PolarHBondContact NH2-OD2 3.16Å
257	Y	96.1	Very high	89.4	Confident	41 Å²	41	76.4 Å²	76.4	16%	0.161	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	110.5	170.7	-170.9	-99.6	0	0	0	109.4	V244 W259 L265 N269 L270 F273	V244-Y257 PolarHBondContact N-O 3.47Å; V244-Y257 WeakPolarHBondContact O-CA 3.41Å; V244-Y257 WeakPolarHBondContact O-CB 3.27Å; V244-Y257 PolarHBondContact O-N 3.34Å; Y257-W259 AromaticContact CD1-CE3 3.59Å; Y257-W259 HydrophobicContact CD1-CE3 3.59Å; Y257-W259 AromaticContact CD1-CZ3 3.88Å; Y257-W259 HydrophobicContact CD1-CZ3 3.88Å; Y257-W259 AromaticContact CE1-CE3 3.72Å; Y257-W259 HydrophobicContact CE1-CE3 3.72Å; Y257-W259 HydrophobicContact CE1-CZ3 4.35Å; Y257-L265 HydrophobicContact CD1-CD1 4Å; Y257-L265 HydrophobicContact CE1-CD1 3.44Å; Y257-L265 VanDerWaalsContact CE1-CD1 3.44Å; Y257-N269 WeakPolarHBondContact OH-CB 3.43Å; Y257-L270 HydrophobicContact CD1-CD1 4.01Å; Y257-L270 HydrophobicContact CE1-CD1 4.45Å; Y257-L270 HydrophobicContact CG-CD1 4.33Å; Y257-F273 HydrophobicContact CD2-CB 3.76Å; Y257-F273 HydrophobicContact CD2-CD1 4.03Å; Y257-F273 AromaticContact CD2-CD2 3.59Å; Y257-F273 HydrophobicContact CD2-CD2 3.59Å; Y257-F273 HydrophobicContact CD2-CE2 4.18Å; Y257-F273 AromaticContact CD2-CG 3.49Å; Y257-F273 HydrophobicContact CD2-CG 3.49Å; Y257-F273 VanDerWaalsContact CD2-CG 3.49Å; Y257-F273 HydrophobicContact CE2-CB 4.05Å; Y257-F273 HydrophobicContact CE2-CD2 4.48Å; Y257-F273 HydrophobicContact CE2-CG 4.28Å; Y257-F273 HydrophobicContact CG-CD1 4.07Å; Y257-F273 HydrophobicContact CG-CD2 4.3Å; Y257-F273 HydrophobicContact CG-CE1 4.42Å; Y257-F273 HydrophobicContact CG-CG 4.02Å
258	V	89.8	Confident	89.1	Confident	92 Å²	92	80 Å²	80	56%	0.558	39%	0.388	S	S	*	.			trans	-119.8	136.5	178	-173.9	0	0	0	0	107.7
259	W	89.1	Confident	89	Confident	37 Å²	37	83.1 Å²	83.1	14%	0.14	41%	0.406	C	S	.	.			trans	-118.4	155.5	173.9	56.3	92.1	0	0	0	109.3	F202 D242 V244 Y257 L265	F202-W259 AromaticContact CE1-CH2 3.83Å; F202-W259 HydrophobicContact CE1-CH2 3.83Å; F202-W259 HydrophobicContact CE1-CZ2 4.1Å; D242-W259 HydrophobicContact CB-CZ2 4.04Å; V244-W259 HydrophobicContact CG2-CH2 4.22Å; V244-W259 HydrophobicContact CG2-CZ3 4.02Å; Y257-W259 AromaticContact CD1-CE3 3.59Å; Y257-W259 HydrophobicContact CD1-CE3 3.59Å; Y257-W259 AromaticContact CD1-CZ3 3.88Å; Y257-W259 HydrophobicContact CD1-CZ3 3.88Å; Y257-W259 AromaticContact CE1-CE3 3.72Å; Y257-W259 HydrophobicContact CE1-CE3 3.72Å; Y257-W259 HydrophobicContact CE1-CZ3 4.35Å; W259-L265 HydrophobicContact CD2-CB 4.16Å; W259-L265 HydrophobicContact CD2-CD1 4.1Å; W259-L265 HydrophobicContact CE3-CD1 3.75Å; W259-L265 HydrophobicContact CH2-CD1 4.31Å; W259-L265 HydrophobicContact CH2-CD2 4.03Å; W259-L265 HydrophobicContact CZ2-CB 4.18Å; W259-L265 HydrophobicContact CZ2-CD2 4.24Å; W259-L265 HydrophobicContact CZ3-CD1 3.86Å; W259-L265 HydrophobicContact CZ3-CD2 4.36Å
260	S	79.1	Confident	89.1	Confident	51 Å²	51	77.6 Å²	77.6	36%	0.357	38%	0.382	S	S	.	.			trans	-73	158.5	176.9	64.9	0	0	0	0	111.1	E262 E263	S260-E262 PolarHBondContact O-N 3.18Å; S260-E263 CarbonylContact O-C 3.59Å; S260-E263 PolarHBondContact O-N 3.36Å; S260-E263 VanDerWaalsContact OG-CB 3.28Å; S260-E263 WeakPolarHBondContact OG-CB 3.16Å; S260-E263 VanDerWaalsContact OG-CG 3.26Å; S260-E263 WeakPolarHBondContact OG-CG 3.38Å; S260-E263 PolarHBondContact OG-N 3.3Å; S260-E263 VanDerWaalsContact OG-N 3.14Å; S260-E263 PolarHBondContact OG-OE2 3.39Å; S260-E263 VanDerWaalsContact OG-OE2 3.1Å
261	E	70.1	Confident	89.2	Confident	207 Å²	207	76.9 Å²	76.9	97%	0.967	38%	0.38	S	S	*	.	S	Bend	trans	-62.9	-23.7	175.6	-68.2	-172.7	169.4	0	0	112.8
262	E	72.9	Confident	89.2	Confident	188 Å²	188	75.8 Å²	75.8	88%	0.879	38%	0.376	S	S	*	.	S	Bend	trans	-80.8	-31.6	177.5	-62	-178.5	-178.9	0	0	112	S260	S260-E262 PolarHBondContact O-N 3.18Å
263	E	77.8	Confident	89.3	Confident	128 Å²	128	72.5 Å²	72.5	60%	0.598	36%	0.357	S	S	*	.	S	Bend	trans	-93.4	109.9	176.8	-68.6	170.7	152	0	0	110.2	S260	S260-E263 CarbonylContact O-C 3.59Å; S260-E263 PolarHBondContact O-N 3.36Å; S260-E263 VanDerWaalsContact OG-CB 3.28Å; S260-E263 WeakPolarHBondContact OG-CB 3.16Å; S260-E263 VanDerWaalsContact OG-CG 3.26Å; S260-E263 WeakPolarHBondContact OG-CG 3.38Å; S260-E263 PolarHBondContact OG-N 3.3Å; S260-E263 VanDerWaalsContact OG-N 3.14Å; S260-E263 PolarHBondContact OG-OE2 3.39Å; S260-E263 VanDerWaalsContact OG-OE2 3.1Å
264	K	86.1	Confident	89.3	Confident	187 Å²	187	71.4 Å²	71.4	81%	0.813	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-62	148.6	172.5	-64.7	-178.3	-179.1	-179.7	0	110.5	D266	K264-D266 PolarHBondContact O-N 2.9Å; K264-D266 VanDerWaalsContact O-N 3.11Å
265	L	92.4	Very high	89	Confident	9 Å²	9	74 Å²	74	5%	0.047	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-56.7	117.7	170	179.5	60.3	0	0	0	109.7	F202 S209 V212 F213 Y257 W259 L270	F202-L265 HydrophobicContact CE1-CD2 4.48Å; S209-L265 WeakPolarHBondContact O-CD2 3.32Å; V212-L265 HydrophobicContact CB-CD2 4.33Å; V212-L265 HydrophobicContact CB-CG 4.43Å; V212-L265 HydrophobicContact CG1-CD2 4.27Å; V212-L265 HydrophobicContact CG1-CG 4.02Å; F213-L265 HydrophobicContact CB-CD2 4.5Å; Y257-L265 HydrophobicContact CD1-CD1 4Å; Y257-L265 HydrophobicContact CE1-CD1 3.44Å; Y257-L265 VanDerWaalsContact CE1-CD1 3.44Å; W259-L265 HydrophobicContact CD2-CB 4.16Å; W259-L265 HydrophobicContact CD2-CD1 4.1Å; W259-L265 HydrophobicContact CE3-CD1 3.75Å; W259-L265 HydrophobicContact CH2-CD1 4.31Å; W259-L265 HydrophobicContact CH2-CD2 4.03Å; W259-L265 HydrophobicContact CZ2-CB 4.18Å; W259-L265 HydrophobicContact CZ2-CD2 4.24Å; W259-L265 HydrophobicContact CZ3-CD1 3.86Å; W259-L265 HydrophobicContact CZ3-CD2 4.36Å; L265-L270 HydrophobicContact CD1-CB 4.11Å; L265-L270 HydrophobicContact CD1-CD2 4.18Å; L265-L270 HydrophobicContact CD2-CD2 4.19Å; L265-L270 HydrophobicContact CG-CD2 4.49Å
266	D	93.6	Very high	88.5	Confident	67 Å²	67	78 Å²	78	36%	0.358	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-100	135	179.8	174.6	-97.2	0	0	0	111.4	K264 H268 N269 L270	K264-D266 PolarHBondContact O-N 2.9Å; K264-D266 VanDerWaalsContact O-N 3.11Å; D266-H268 PolarHBondContact O-N 2.82Å; D266-H268 WeakPolarHBondContact OD1-CA 3.39Å; D266-H268 VanDerWaalsContact OD1-CB 3.27Å; D266-H268 WeakPolarHBondContact OD1-CB 3.31Å; D266-H268 PolarHBondContact OD1-N 3.43Å; D266-N269 HydrophobicContact CB-CB 4.18Å; D266-N269 PolarHBondContact OD1-N 3.4Å; D266-L270 WeakPolarHBondContact O-CB 3.26Å; D266-L270 PolarHBondContact O-N 3.48Å
267	K	93.6	Very high	88.2	Confident	69 Å²	69	75.2 Å²	75.2	30%	0.3	36%	0.363	S	S	.	.	H	α-helix	trans	-62.1	-42.4	-177.8	-174.6	176.9	-179.1	171.5	0	112.2	V212 E215 V216 D219 T271	V212-K267 HydrophobicContact CG1-CB 4.01Å; E215-K267 HydrophobicContact CB-CD 4.4Å; E215-K267 IonicContact OE2-NZ 2.89Å; V216-K267 HydrophobicContact CG2-CB 4.47Å; V216-K267 HydrophobicContact CG2-CG 3.67Å; D219-K267 WeakPolarHBondContact OD2-CE 3.49Å; D219-K267 IonicContact OD2-NZ 3.75Å; D219-K267 PolarHBondContact OD2-NZ 3.13Å; K267-T271 VanDerWaalsContact O-CB 3.26Å; K267-T271 WeakPolarHBondContact O-CB 3.33Å; K267-T271 PolarHBondContact O-N 3.46Å; K267-T271 PolarHBondContact O-OG1 2.83Å
268	H	91.8	Very high	87.9	Confident	93 Å²	93	74.1 Å²	74.1	43%	0.431	36%	0.361	S	S	.	.	H	α-helix	trans	-69.6	-44.7	-176.6	-175.5	71.9	0	0	0	111.3	D266 T271 S272 R297	D266-H268 PolarHBondContact O-N 2.82Å; D266-H268 WeakPolarHBondContact OD1-CA 3.39Å; D266-H268 VanDerWaalsContact OD1-CB 3.27Å; D266-H268 WeakPolarHBondContact OD1-CB 3.31Å; D266-H268 PolarHBondContact OD1-N 3.43Å; H268-T271 PolarHBondContact O-N 2.91Å; H268-S272 WeakPolarHBondContact O-CB 3.26Å; H268-S272 PolarHBondContact O-N 2.98Å; H268-S272 PolarHBondContact O-OG 3.04Å; H268-R297 PolarHBondContact CE1-NH2 3.04Å; H268-R297 VanDerWaalsContact CE1-NH2 3.28Å; H268-R297 PolarHBondContact NE2-NH2 3.16Å; H268-R297 VanDerWaalsContact NE2-NH2 3.18Å
269	N	92.3	Very high	87.9	Confident	85 Å²	85	71.2 Å²	71.2	46%	0.455	34%	0.343	S	S	.	.	H	α-helix	trans	-65.3	-44.6	179	-67.7	-17.7	0	0	0	111.2	Y257 D266 S272 F273	Y257-N269 WeakPolarHBondContact OH-CB 3.43Å; D266-N269 HydrophobicContact CB-CB 4.18Å; D266-N269 PolarHBondContact OD1-N 3.4Å; N269-S272 PolarHBondContact O-N 3.38Å; N269-F273 WeakPolarHBondContact O-CB 3.48Å; N269-F273 PolarHBondContact O-N 2.98Å
270	L	95.6	Very high	88	Confident	0 Å²	0	73 Å²	73	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-62.9	-44.2	175.5	178.4	59.9	0	0	0	111.8	F213 V216 V244 Y257 L265 D266 S272 F273 I274	F213-L270 HydrophobicContact CD2-CD2 3.98Å; V216-L270 HydrophobicContact CB-CD2 4.21Å; V216-L270 HydrophobicContact CG1-CD2 4.38Å; V216-L270 HydrophobicContact CG1-CG 4.38Å; V216-L270 HydrophobicContact CG2-CB 4.46Å; V216-L270 HydrophobicContact CG2-CD2 3.93Å; V216-L270 HydrophobicContact CG2-CG 4.3Å; V244-L270 HydrophobicContact CB-CD1 4.06Å; V244-L270 HydrophobicContact CG1-CD1 3.93Å; V244-L270 HydrophobicContact CG2-CD1 4.13Å; V244-L270 HydrophobicContact CG2-CD2 4.33Å; Y257-L270 HydrophobicContact CD1-CD1 4.01Å; Y257-L270 HydrophobicContact CE1-CD1 4.45Å; Y257-L270 HydrophobicContact CG-CD1 4.33Å; L265-L270 HydrophobicContact CD1-CB 4.11Å; L265-L270 HydrophobicContact CD1-CD2 4.18Å; L265-L270 HydrophobicContact CD2-CD2 4.19Å; L265-L270 HydrophobicContact CG-CD2 4.49Å; D266-L270 WeakPolarHBondContact O-CB 3.26Å; D266-L270 PolarHBondContact O-N 3.48Å; L270-S272 VanDerWaalsContact C-N 3.3Å; L270-S272 PolarHBondContact O-N 3.24Å; L270-F273 HydrophobicContact CD1-CD1 4.3Å; L270-F273 PolarHBondContact O-N 2.92Å; L270-I274 HydrophobicContact CD1-CD1 4.01Å; L270-I274 HydrophobicContact CD1-CG1 4.21Å; L270-I274 HydrophobicContact CG-CD1 4.01Å; L270-I274 WeakPolarHBondContact O-CG1 3.34Å; L270-I274 PolarHBondContact O-N 3.3Å
271	T	92.9	Very high	88.7	Confident	22 Å²	22	72.1 Å²	72.1	14%	0.135	34%	0.344	C	S	.	.	H	α-helix	trans	-59	-43.4	176.4	-62.3	0	0	0	0	111.4	L220 K267 H268 I274 K275	L220-T271 HydrophobicContact CD1-CG2 4.39Å; L220-T271 HydrophobicContact CD2-CG2 4.21Å; K267-T271 VanDerWaalsContact O-CB 3.26Å; K267-T271 WeakPolarHBondContact O-CB 3.33Å; K267-T271 PolarHBondContact O-N 3.46Å; K267-T271 PolarHBondContact O-OG1 2.83Å; H268-T271 PolarHBondContact O-N 2.91Å; T271-I274 PolarHBondContact O-N 3.48Å; T271-K275 HydrophobicContact CG2-CD 4.18Å; T271-K275 WeakPolarHBondContact O-CB 3.3Å; T271-K275 WeakPolarHBondContact O-CG 3.16Å; T271-K275 PolarHBondContact O-N 3.3Å
272	S	89.1	Confident	89.9	Confident	22 Å²	22	62.5 Å²	62.5	15%	0.154	30%	0.299	C	S	.	.	H	α-helix	trans	-66.4	-46.2	179	-56.7	0	0	0	0	110.9	H268 N269 L270 I274 K275 E276	H268-S272 WeakPolarHBondContact O-CB 3.26Å; H268-S272 PolarHBondContact O-N 2.98Å; H268-S272 PolarHBondContact O-OG 3.04Å; N269-S272 PolarHBondContact O-N 3.38Å; L270-S272 VanDerWaalsContact C-N 3.3Å; L270-S272 PolarHBondContact O-N 3.24Å; S272-I274 VanDerWaalsContact C-N 3.34Å; S272-I274 PolarHBondContact O-N 3.13Å; S272-K275 PolarHBondContact O-N 2.89Å; S272-E276 WeakPolarHBondContact O-CB 3.48Å; S272-E276 VanDerWaalsContact O-CG 3.29Å; S272-E276 WeakPolarHBondContact O-CG 3.39Å; S272-E276 PolarHBondContact O-N 2.79Å
273	F	92.8	Very high	90.9	Very high	24 Å²	24	53.8 Å²	53.8	11%	0.105	26%	0.258	C	S	.	.	H	α-helix	trans	-53.2	-49.2	174.1	168.1	-94.7	0	0	0	111.8	L246 E255 Y257 N269 L270 N277	L246-F273 HydrophobicContact CB-CE1 4.14Å; L246-F273 HydrophobicContact CB-CZ 4.49Å; E255-F273 HydrophobicContact CB-CE2 4.13Å; E255-F273 HydrophobicContact CB-CZ 3.72Å; Y257-F273 HydrophobicContact CD2-CB 3.76Å; Y257-F273 HydrophobicContact CD2-CD1 4.03Å; Y257-F273 AromaticContact CD2-CD2 3.59Å; Y257-F273 HydrophobicContact CD2-CD2 3.59Å; Y257-F273 HydrophobicContact CD2-CE2 4.18Å; Y257-F273 AromaticContact CD2-CG 3.49Å; Y257-F273 HydrophobicContact CD2-CG 3.49Å; Y257-F273 VanDerWaalsContact CD2-CG 3.49Å; Y257-F273 HydrophobicContact CE2-CB 4.05Å; Y257-F273 HydrophobicContact CE2-CD2 4.48Å; Y257-F273 HydrophobicContact CE2-CG 4.28Å; Y257-F273 HydrophobicContact CG-CD1 4.07Å; Y257-F273 HydrophobicContact CG-CD2 4.3Å; Y257-F273 HydrophobicContact CG-CE1 4.42Å; Y257-F273 HydrophobicContact CG-CG 4.02Å; N269-F273 WeakPolarHBondContact O-CB 3.48Å; N269-F273 PolarHBondContact O-N 2.98Å; L270-F273 HydrophobicContact CD1-CD1 4.3Å; L270-F273 PolarHBondContact O-N 2.92Å; F273-N277 WeakPolarHBondContact CD2-ND2 3.41Å; F273-N277 WeakPolarHBondContact CE2-ND2 3.5Å; F273-N277 VanDerWaalsContact O-CB 3.31Å; F273-N277 WeakPolarHBondContact O-CB 3.33Å; F273-N277 PolarHBondContact O-N 3.05Å; F273-N277 PolarHBondContact O-ND2 3.39Å
274	I	93.7	Very high	91.6	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-63.4	-48.7	179.9	-66.1	166.2	0	0	0	110.1	V198 V216 L220 V223 F225 L246 L270 T271 S272 E276 N277 S278	V198-I274 HydrophobicContact CG1-CD1 4.02Å; V198-I274 HydrophobicContact CG1-CG1 4.34Å; V198-I274 HydrophobicContact CG2-CD1 4.34Å; V198-I274 HydrophobicContact CG2-CG1 4.21Å; V198-I274 HydrophobicContact CG2-CG2 4.06Å; V216-I274 HydrophobicContact CG1-CD1 3.74Å; L220-I274 HydrophobicContact CD1-CB 3.91Å; L220-I274 HydrophobicContact CD1-CD1 3.92Å; L220-I274 HydrophobicContact CD1-CG2 3.68Å; V223-I274 HydrophobicContact CG2-CG2 4.41Å; F225-I274 HydrophobicContact CE1-CD1 3.8Å; F225-I274 HydrophobicContact CZ-CD1 3.95Å; L246-I274 HydrophobicContact CD1-CG2 4.26Å; L270-I274 HydrophobicContact CD1-CD1 4.01Å; L270-I274 HydrophobicContact CD1-CG1 4.21Å; L270-I274 HydrophobicContact CG-CD1 4.01Å; L270-I274 WeakPolarHBondContact O-CG1 3.34Å; L270-I274 PolarHBondContact O-N 3.3Å; T271-I274 PolarHBondContact O-N 3.48Å; S272-I274 VanDerWaalsContact C-N 3.34Å; S272-I274 PolarHBondContact O-N 3.13Å; I274-E276 PolarHBondContact O-N 2.87Å; I274-N277 PolarHBondContact O-N 3.45Å; I274-S278 WeakPolarHBondContact O-CB 3.32Å; I274-S278 PolarHBondContact O-N 3.32Å; I274-S278 PolarHBondContact O-OG 2.67Å
275	K	88.4	Confident	91.8	Very high	123 Å²	123	42 Å²	42	54%	0.535	21%	0.21	S	C	.	.	H	α-helix	trans	-60.7	-44.7	-178.6	-75.3	-179.2	178.8	-176.6	0	112.4	T271 S272 S278	T271-K275 HydrophobicContact CG2-CD 4.18Å; T271-K275 WeakPolarHBondContact O-CB 3.3Å; T271-K275 WeakPolarHBondContact O-CG 3.16Å; T271-K275 PolarHBondContact O-N 3.3Å; S272-K275 PolarHBondContact O-N 2.89Å; K275-S278 PolarHBondContact O-N 2.89Å
276	E	85.6	Confident	91.4	Very high	123 Å²	123	44.3 Å²	44.3	58%	0.575	22%	0.223	S	C	*	.	H	α-helix	trans	-67.9	-37.4	-179.1	-71.6	172.3	-172.4	0	0	112.1	S272 I274	S272-E276 WeakPolarHBondContact O-CB 3.48Å; S272-E276 VanDerWaalsContact O-CG 3.29Å; S272-E276 WeakPolarHBondContact O-CG 3.39Å; S272-E276 PolarHBondContact O-N 2.79Å; I274-E276 PolarHBondContact O-N 2.87Å
277	N	90.1	Very high	90.5	Very high	10 Å²	10	45.2 Å²	45.2	5%	0.053	23%	0.231	C	C	.	.	H	α-helix	trans	-90.5	-4	-178.7	-70.3	-71.8	0	0	0	114.2	L246 E255 F273 I274 L279 K328	L246-N277 HydrophobicContact CD1-CB 4.04Å; E255-N277 HydrophobicContact CB-CB 4.28Å; E255-N277 VanDerWaalsContact CD-OD1 3.3Å; E255-N277 HydrophobicContact CG-CB 3.97Å; E255-N277 WeakPolarHBondContact CG-OD1 3.34Å; E255-N277 PolarHBondContact OE1-OD1 3.47Å; F273-N277 WeakPolarHBondContact CD2-ND2 3.41Å; F273-N277 WeakPolarHBondContact CE2-ND2 3.5Å; F273-N277 VanDerWaalsContact O-CB 3.31Å; F273-N277 WeakPolarHBondContact O-CB 3.33Å; F273-N277 PolarHBondContact O-N 3.05Å; F273-N277 PolarHBondContact O-ND2 3.39Å; I274-N277 PolarHBondContact O-N 3.45Å; N277-L279 VanDerWaalsContact C-N 3.33Å; N277-K328 WeakPolarHBondContact OD1-CE 3.31Å; N277-K328 PolarHBondContact OD1-NZ 3.06Å
278	S	90.2	Very high	89.7	Confident	18 Å²	18	49.7 Å²	49.7	13%	0.126	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-2.5	173.3	-66.6	0	0	0	0	113.6	I196 I274 K275	I196-S278 WeakPolarHBondContact CD1-O 3.13Å; I274-S278 WeakPolarHBondContact O-CB 3.32Å; I274-S278 PolarHBondContact O-N 3.32Å; I274-S278 PolarHBondContact O-OG 2.67Å; K275-S278 PolarHBondContact O-N 2.89Å
279	L	88.2	Confident	89.3	Confident	31 Å²	31	46.6 Å²	46.6	16%	0.162	24%	0.24	C	C	.	.	S	Bend	trans	-100	142.7	174.1	-64.4	174	0	0	0	109.7	F250 N277 I283 K292	F250-L279 WeakPolarHBondContact CE2-O 3.37Å; N277-L279 VanDerWaalsContact C-N 3.33Å; L279-I283 HydrophobicContact CB-CD1 3.99Å; L279-I283 HydrophobicContact CB-CG1 4.2Å; L279-I283 HydrophobicContact CD1-CD1 3.9Å; L279-I283 HydrophobicContact CD2-CD1 4.31Å; L279-I283 HydrophobicContact CG-CD1 4.29Å; L279-K292 HydrophobicContact CD2-CB 4.18Å; L279-K292 HydrophobicContact CD2-CD 4.15Å
280	E	91.8	Very high	88.7	Confident	76 Å²	76	42.5 Å²	42.5	36%	0.355	22%	0.218	S	C	.	.			trans	-61.4	149.5	169.3	-67.3	-178	-132	0	0	110.1	F250 D251 I282 I283	F250-E280 HydrophobicContact CB-CG 4.11Å; F250-E280 HydrophobicContact CD1-CG 4.09Å; F250-E280 HydrophobicContact CD2-CB 4.23Å; F250-E280 HydrophobicContact CD2-CG 3.6Å; F250-E280 HydrophobicContact CE1-CG 4.4Å; F250-E280 HydrophobicContact CE2-CB 4.44Å; F250-E280 HydrophobicContact CE2-CG 3.92Å; F250-E280 HydrophobicContact CG-CG 3.68Å; F250-E280 HydrophobicContact CZ-CG 4.33Å; D251-E280 WeakPolarHBondContact OD2-CA 3.3Å; E280-I282 WeakPolarHBondContact CB-O 3.29Å; E280-I282 PolarHBondContact O-N 3.39Å; E280-I283 VanDerWaalsContact O-CG1 3.24Å; E280-I283 WeakPolarHBondContact O-CG1 3.42Å
281	L	92.9	Very high	87.9	Confident	31 Å²	31	46.8 Å²	46.8	16%	0.162	24%	0.241	C	C	.	.	S	Bend	trans	-54	-37.1	172.9	-78.3	174.1	0	0	0	111.6	D251 A324 K325 F333	D251-L281 HydrophobicContact CB-CD1 4.08Å; D251-L281 HydrophobicContact CB-CG 4.24Å; D251-L281 WeakPolarHBondContact OD2-CG 3.46Å; D251-L281 PolarHBondContact OD2-N 3Å; L281-A324 HydrophobicContact CB-CB 4.24Å; L281-K325 HydrophobicContact CD1-CB 4.12Å; L281-K325 HydrophobicContact CD1-CG 4.49Å; L281-K325 HydrophobicContact CD2-CB 4.45Å; L281-F333 WeakPolarHBondContact O-CB 3.17Å
282	I	95.8	Very high	87.4	Confident	6 Å²	6	49.9 Å²	49.9	3%	0.031	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	112	170.8	-57.5	-179.4	0	0	0	107.5	E280 P284 V317 A320 K321 A324 F333 L335	E280-I282 WeakPolarHBondContact CB-O 3.29Å; E280-I282 PolarHBondContact O-N 3.39Å; I282-P284 WeakPolarHBondContact O-CD 3.49Å; I282-V317 HydrophobicContact CD1-CG1 4.09Å; I282-V317 WeakPolarHBondContact CD1-O 3.24Å; I282-V317 HydrophobicContact CG2-CG1 4.43Å; I282-A320 HydrophobicContact CD1-CB 3.82Å; I282-K321 HydrophobicContact CD1-CG 3.83Å; I282-K321 HydrophobicContact CG1-CG 4.27Å; I282-A324 HydrophobicContact CG1-CB 3.92Å; I282-F333 HydrophobicContact CB-CB 4.38Å; I282-F333 HydrophobicContact CG1-CB 3.98Å; I282-F333 HydrophobicContact CG2-CB 4.42Å; I282-L335 HydrophobicContact CG2-CB 3.89Å; I282-L335 HydrophobicContact CG2-CD1 4.49Å
283	I	93.9	Very high	87.3	Confident	4 Å²	4	49 Å²	49	2%	0.021	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	115.9	-169.3	-54.1	165.8	0	0	0	110.1	L279 E280 F285 V289 I293 L332 F333 V334 L335	L279-I283 HydrophobicContact CB-CD1 3.99Å; L279-I283 HydrophobicContact CB-CG1 4.2Å; L279-I283 HydrophobicContact CD1-CD1 3.9Å; L279-I283 HydrophobicContact CD2-CD1 4.31Å; L279-I283 HydrophobicContact CG-CD1 4.29Å; E280-I283 VanDerWaalsContact O-CG1 3.24Å; E280-I283 WeakPolarHBondContact O-CG1 3.42Å; I283-F285 PolarHBondContact O-N 3.49Å; I283-V289 HydrophobicContact CG2-CB 4.33Å; I283-V289 HydrophobicContact CG2-CG2 4.01Å; I283-I293 HydrophobicContact CD1-CG1 4.26Å; I283-I293 HydrophobicContact CG2-CD1 3.92Å; I283-I293 HydrophobicContact CG2-CG1 4.15Å; I283-L332 HydrophobicContact CD1-CD2 4.14Å; I283-F333 PolarHBondContact N-O 3.47Å; I283-V334 CarbonylContact O-C 3.52Å; I283-V334 WeakPolarHBondContact O-CA 3.49Å; I283-L335 PolarHBondContact O-N 3.4Å
284	P	92.9	Very high	86.8	Confident	51 Å²	51	49 Å²	49	33%	0.331	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	118	172.6	-19	32.9	0	0	0	110.9	I282 N286 V289	I282-P284 WeakPolarHBondContact O-CD 3.49Å; P284-N286 PolarHBondContact O-N 2.9Å; P284-N286 PolarHBondContact O-ND2 2.94Å; P284-V289 WeakPolarHBondContact O-CG2 3.36Å
285	F	90.1	Very high	86.1	Confident	18 Å²	18	52.9 Å²	52.9	8%	0.079	28%	0.279	C	S	.	.			trans	-69.9	126.8	-178.7	-174.3	-99.7	0	0	0	111.3	L14 I283 A290 I293 F294 V334 L335 I336 L342	L14-F285 HydrophobicContact CB-CZ 4.13Å; L14-F285 HydrophobicContact CD1-CZ 4.39Å; L14-F285 HydrophobicContact CD2-CZ 4.36Å; I283-F285 PolarHBondContact O-N 3.49Å; F285-A290 HydrophobicContact CE2-CB 4.06Å; F285-A290 HydrophobicContact CZ-CB 4.26Å; F285-I293 HydrophobicContact CD2-CD1 3.83Å; F285-I293 HydrophobicContact CE2-CD1 4.44Å; F285-F294 HydrophobicContact CE2-CE2 4.05Å; F285-F294 HydrophobicContact CE2-CZ 4.27Å; F285-V334 HydrophobicContact CB-CG1 3.78Å; F285-V334 HydrophobicContact CD2-CG1 4.13Å; F285-V334 HydrophobicContact CG-CG1 4.37Å; F285-L335 WeakPolarHBondContact CB-O 3.5Å; F285-L335 PolarHBondContact N-O 3.17Å; F285-I336 HydrophobicContact CB-CD1 3.39Å; F285-I336 HydrophobicContact CD1-CD1 4.03Å; F285-I336 HydrophobicContact CD2-CD1 4.38Å; F285-I336 HydrophobicContact CG-CD1 3.68Å; F285-L342 HydrophobicContact CD1-CD1 4.07Å; F285-L342 HydrophobicContact CD1-CD2 4.17Å; F285-L342 HydrophobicContact CE1-CD2 4Å
286	N	84	Confident	85.9	Confident	57 Å²	57	48.2 Å²	48.2	31%	0.305	26%	0.261	S	S	.	.			trans	-155.2	172.8	170	61.5	58.9	0	0	0	109	P284 E288 V289 A290	P284-N286 PolarHBondContact O-N 2.9Å; P284-N286 PolarHBondContact O-ND2 2.94Å; N286-E288 VanDerWaalsContact C-N 3.27Å; N286-E288 PolarHBondContact O-N 3.28Å; N286-E288 WeakPolarHBondContact OD1-CA 3.21Å; N286-E288 WeakPolarHBondContact OD1-CB 3.39Å; N286-E288 PolarHBondContact OD1-N 3.12Å; N286-V289 PolarHBondContact O-N 3.39Å; N286-V289 PolarHBondContact OD1-N 3.14Å; N286-A290 WeakPolarHBondContact O-CB 3.44Å; N286-A290 PolarHBondContact O-N 3.24Å
287	T	76.1	Confident	85.9	Confident	86 Å²	86	50.5 Å²	50.5	53%	0.528	27%	0.265	S	S	.	.	H	α-helix	trans	-62.4	-31	-178	48	0	0	0	0	113.3	L15	L15-T287 HydrophobicContact CD2-CG2 4.29Å
288	E	75.8	Confident	85.9	Confident	162 Å²	162	51.6 Å²	51.6	76%	0.757	27%	0.27	S	S	*	.	H	α-helix	trans	-74.5	-33.9	-178.2	-56.4	-176.5	172.8	0	0	112.9	N286	N286-E288 VanDerWaalsContact C-N 3.27Å; N286-E288 PolarHBondContact O-N 3.28Å; N286-E288 WeakPolarHBondContact OD1-CA 3.21Å; N286-E288 WeakPolarHBondContact OD1-CB 3.39Å; N286-E288 PolarHBondContact OD1-N 3.12Å
289	V	82.3	Confident	85.9	Confident	28 Å²	28	54.8 Å²	54.8	17%	0.17	28%	0.28	C	S	.	.	H	α-helix	trans	-95.1	-13.6	179.9	-57	0	0	0	0	113.4	I283 P284 N286 D291 K292 I293	I283-V289 HydrophobicContact CG2-CB 4.33Å; I283-V289 HydrophobicContact CG2-CG2 4.01Å; P284-V289 WeakPolarHBondContact O-CG2 3.36Å; N286-V289 PolarHBondContact O-N 3.39Å; N286-V289 PolarHBondContact OD1-N 3.14Å; V289-D291 VanDerWaalsContact C-N 3.33Å; V289-D291 PolarHBondContact O-N 3.01Å; V289-K292 WeakPolarHBondContact O-CA 3.24Å; V289-K292 WeakPolarHBondContact O-CB 3.43Å; V289-K292 PolarHBondContact O-N 3.47Å; V289-I293 HydrophobicContact CG2-CD1 4.03Å; V289-I293 PolarHBondContact O-N 2.92Å
290	A	81.6	Confident	86.3	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-51.2	-51.4	-179.4	0	0	0	0	0	111.6	L15 F285 N286 K292 I293 F294	L15-A290 HydrophobicContact CD2-CB 4.12Å; F285-A290 HydrophobicContact CE2-CB 4.06Å; F285-A290 HydrophobicContact CZ-CB 4.26Å; N286-A290 WeakPolarHBondContact O-CB 3.44Å; N286-A290 PolarHBondContact O-N 3.24Å; A290-K292 PolarHBondContact O-N 3.02Å; A290-K292 VanDerWaalsContact O-N 3.16Å; A290-I293 WeakPolarHBondContact O-CB 3.45Å; A290-I293 PolarHBondContact O-N 3.33Å; A290-F294 HydrophobicContact CB-CD2 4.32Å; A290-F294 HydrophobicContact CB-CE2 4.13Å; A290-F294 WeakPolarHBondContact O-CD2 3.39Å; A290-F294 PolarHBondContact O-N 3.37Å
291	D	78.3	Confident	86.5	Confident	90 Å²	90	51.1 Å²	51.1	48%	0.481	26%	0.262	S	S	.	.	H	α-helix	trans	-56.2	-36.8	179	-72.8	-14.4	0	0	0	112.4	V289 A295	V289-D291 VanDerWaalsContact C-N 3.33Å; V289-D291 PolarHBondContact O-N 3.01Å; D291-A295 WeakPolarHBondContact O-CB 3.48Å; D291-A295 PolarHBondContact O-N 2.89Å
292	K	83	Confident	86.7	Confident	87 Å²	87	49.7 Å²	49.7	38%	0.378	26%	0.255	S	S	.	.	H	α-helix	trans	-70.2	-40.6	178.3	-60.5	-179.7	-179	176.8	0	111.5	D222 L279 V289 A290 S296	D222-K292 IonicContact OD2-NZ 3.48Å; L279-K292 HydrophobicContact CD2-CB 4.18Å; L279-K292 HydrophobicContact CD2-CD 4.15Å; V289-K292 WeakPolarHBondContact O-CA 3.24Å; V289-K292 WeakPolarHBondContact O-CB 3.43Å; V289-K292 PolarHBondContact O-N 3.47Å; A290-K292 PolarHBondContact O-N 3.02Å; A290-K292 VanDerWaalsContact O-N 3.16Å; K292-S296 PolarHBondContact O-N 2.81Å
293	I	85.8	Confident	86.8	Confident	2 Å²	2	50 Å²	50	1%	0.01	26%	0.256	C	S	.	.	H	α-helix	trans	-62.2	-46.4	176.5	-65.2	167.8	0	0	0	110.1	I283 F285 V289 A290 S296 V334	I283-I293 HydrophobicContact CD1-CG1 4.26Å; I283-I293 HydrophobicContact CG2-CD1 3.92Å; I283-I293 HydrophobicContact CG2-CG1 4.15Å; F285-I293 HydrophobicContact CD2-CD1 3.83Å; F285-I293 HydrophobicContact CE2-CD1 4.44Å; V289-I293 HydrophobicContact CG2-CD1 4.03Å; V289-I293 PolarHBondContact O-N 2.92Å; A290-I293 WeakPolarHBondContact O-CB 3.45Å; A290-I293 PolarHBondContact O-N 3.33Å; I293-S296 WeakPolarHBondContact O-CB 3.44Å; I293-S296 PolarHBondContact O-N 3.2Å; I293-V334 HydrophobicContact CD1-CG1 4.1Å; I293-V334 HydrophobicContact CD1-CG2 4.18Å; I293-V334 HydrophobicContact CG2-CG2 4.14Å
294	F	82.1	Confident	86.9	Confident	25 Å²	25	49.9 Å²	49.9	11%	0.11	26%	0.256	C	S	.	.	H	α-helix	trans	-80.7	-25.6	-175.7	-64.1	-62.4	0	0	0	114.6	L10 L11 L14 F285 A290 S296 M364	L10-F294 HydrophobicContact CD2-CE1 4.04Å; L11-F294 HydrophobicContact CD1-CB 3.28Å; L11-F294 HydrophobicContact CD1-CD1 4.39Å; L11-F294 HydrophobicContact CD1-CD2 3.19Å; L11-F294 HydrophobicContact CD1-CE2 4.24Å; L11-F294 HydrophobicContact CD1-CG 3.34Å; L11-F294 HydrophobicContact CG-CD2 4.23Å; L14-F294 HydrophobicContact CD1-CE1 3.68Å; L14-F294 HydrophobicContact CD1-CE2 3.46Å; L14-F294 VanDerWaalsContact CD1-CE2 3.46Å; L14-F294 HydrophobicContact CD1-CZ 2.94Å; L14-F294 HydrophobicContact CG-CZ 4.39Å; F285-F294 HydrophobicContact CE2-CE2 4.05Å; F285-F294 HydrophobicContact CE2-CZ 4.27Å; A290-F294 HydrophobicContact CB-CD2 4.32Å; A290-F294 HydrophobicContact CB-CE2 4.13Å; A290-F294 WeakPolarHBondContact O-CD2 3.39Å; A290-F294 PolarHBondContact O-N 3.37Å; F294-S296 PolarHBondContact O-N 3.14Å; F294-M364 HydrophobicContact CD1-CE 3.63Å; F294-M364 HydrophobicContact CE1-CE 3.71Å
295	A	80.4	Confident	87.1	Confident	83 Å²	83	47.5 Å²	47.5	69%	0.686	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75	-8.9	170	0	0	0	0	0	112.9	D291	D291-A295 WeakPolarHBondContact O-CB 3.48Å; D291-A295 PolarHBondContact O-N 2.89Å
296	S	83.4	Confident	87.3	Confident	24 Å²	24	46.8 Å²	46.8	17%	0.168	24%	0.237	C	C	.	.			trans	-62.1	142.9	179.2	-175.5	0	0	0	0	112.4	K292 I293 F294 I298 L332	K292-S296 PolarHBondContact O-N 2.81Å; I293-S296 WeakPolarHBondContact O-CB 3.44Å; I293-S296 PolarHBondContact O-N 3.2Å; F294-S296 PolarHBondContact O-N 3.14Å; S296-I298 VanDerWaalsContact C-N 3.28Å; S296-I298 PolarHBondContact OG-N 2.89Å; S296-I298 VanDerWaalsContact OG-N 3.14Å; S296-L332 VanDerWaalsContact CB-CD1 3.42Å; S296-L332 VanDerWaalsContact OG-CD1 3.3Å; S296-L332 WeakPolarHBondContact OG-CD1 3.35Å
297	R	85	Confident	87.8	Confident	171 Å²	171	45.5 Å²	45.5	65%	0.645	23%	0.23	S	C	*	.	S	Bend	trans	-76.1	-19.1	172.3	-64.4	-178.4	179	175.5	1.3	112.2	H268 R299	H268-R297 PolarHBondContact CE1-NH2 3.04Å; H268-R297 VanDerWaalsContact CE1-NH2 3.28Å; H268-R297 PolarHBondContact NE2-NH2 3.16Å; H268-R297 VanDerWaalsContact NE2-NH2 3.18Å; R297-R299 PolarHBondContact O-N 3.01Å
298	I	90.1	Very high	88.6	Confident	33 Å²	33	43.6 Å²	43.6	17%	0.169	22%	0.22	C	C	.	.			trans	-73.3	118.7	177.8	-60.4	174.1	0	0	0	108.6	S296 H301 K330 L332	S296-I298 VanDerWaalsContact C-N 3.28Å; S296-I298 PolarHBondContact OG-N 2.89Å; S296-I298 VanDerWaalsContact OG-N 3.14Å; I298-H301 PolarHBondContact O-CD2 3.39Å; I298-H301 PolarHBondContact O-NE2 3.41Å; I298-K330 WeakPolarHBondContact CG2-O 3.39Å; I298-L332 HydrophobicContact CB-CD1 4.35Å; I298-L332 HydrophobicContact CB-CG 3.94Å; I298-L332 HydrophobicContact CD1-CD2 3.9Å; I298-L332 HydrophobicContact CD1-CG 4.04Å; I298-L332 HydrophobicContact CG2-CG 4.03Å
299	R	91.5	Very high	89.5	Confident	86 Å²	86	41.3 Å²	41.3	33%	0.325	22%	0.218	S	C	.	.			trans	-90.6	-14.9	-173.8	-58.4	-51.3	-157.9	-171	5.3	114.6	R297 H363 M364 E365	R297-R299 PolarHBondContact O-N 3.01Å; R299-H363 CarbonylContact O-C 3.51Å; R299-H363 WeakPolarHBondContact O-CA 3.43Å; R299-M364 WeakPolarHBondContact O-CB 3.31Å; R299-M364 VanDerWaalsContact O-CG 3.26Å; R299-M364 WeakPolarHBondContact O-CG 3.47Å; R299-M364 PolarHBondContact O-N 2.91Å; R299-E365 HydrophobicContact CG-CG 4.12Å; R299-E365 IonicContact CZ-OE1 2.58Å; R299-E365 VanDerWaalsContact CZ-OE1 3.23Å; R299-E365 IonicContact NE-OE1 2.79Å; R299-E365 PolarHBondContact NE-OE1 3.11Å; R299-E365 IonicContact NH2-OE1 2.73Å; R299-E365 PolarHBondContact NH2-OE1 3.27Å
300	L	95.8	Very high	90.2	Very high	22 Å²	22	42.3 Å²	42.3	12%	0.115	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	117.9	176.4	-70.9	172.4	0	0	0	109.3	M331 L332 I362 H363 V389 V390	L300-M331 HydrophobicContact CB-CB 4.32Å; L300-M331 HydrophobicContact CB-CE 4.04Å; L300-M331 HydrophobicContact CB-CG 4.01Å; L300-M331 HydrophobicContact CD1-CE 4.08Å; L300-M331 CarbonylContact O-C 3.56Å; L300-M331 WeakPolarHBondContact O-CA 3.15Å; L300-M331 WeakPolarHBondContact O-CG 2.96Å; L300-L332 PolarHBondContact O-N 3.23Å; L300-I362 WeakPolarHBondContact CA-O 3.46Å; L300-H363 HydrophobicContact CD2-CB 3.89Å; L300-V389 HydrophobicContact CD1-CG1 4.2Å; L300-V389 HydrophobicContact CD2-CG1 3.67Å; L300-V390 HydrophobicContact CD1-CG2 4.02Å
301	H	96.1	Very high	90.8	Very high	8 Å²	8	48 Å²	48	4%	0.037	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	122	177.7	-62.3	-177	0	0	0	108.8	I298 L303 L332 I361 I362	I298-H301 PolarHBondContact O-CD2 3.39Å; I298-H301 PolarHBondContact O-NE2 3.41Å; H301-L303 HydrophobicContact CB-CD1 4.33Å; H301-L332 CarbonylContact C-O 3.6Å; H301-L332 WeakPolarHBondContact CA-O 3.15Å; H301-I361 CarbonylContact O-C 3.58Å; H301-I361 VanDerWaalsContact O-CA 3.31Å; H301-I361 WeakPolarHBondContact O-CA 3.48Å; H301-I362 HydrophobicContact CB-CG2 3.97Å; H301-I362 PolarHBondContact N-O 3.48Å; H301-I362 PolarHBondContact O-N 3.08Å
302	S	97.3	Very high	91.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	114.8	170.6	-176.6	0	0	0	0	109.1	L332 F333 V334 R360	S302-L332 PolarHBondContact N-O 3.23Å; S302-F333 CarbonylContact O-C 3.59Å; S302-F333 WeakPolarHBondContact O-CA 3.23Å; S302-V334 PolarHBondContact O-N 3.47Å; S302-R360 CarbonylContact C-O 3.59Å; S302-R360 WeakPolarHBondContact CA-O 3.34Å
303	L	96.5	Very high	92.2	Very high	13 Å²	13	44.1 Å²	44.1	7%	0.068	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	116.4	178	-62.3	91.6	0	0	0	108.9	H301 F305 V334 I336 F349 A359 R360 I362	H301-L303 HydrophobicContact CB-CD1 4.33Å; L303-F305 HydrophobicContact CB-CD2 4.42Å; L303-F305 HydrophobicContact CB-CE2 3.62Å; L303-F305 HydrophobicContact CB-CZ 3.85Å; L303-F305 HydrophobicContact CD2-CZ 4.19Å; L303-F305 WeakPolarHBondContact O-CD2 3.36Å; L303-V334 CarbonylContact C-O 3.47Å; L303-V334 VanDerWaalsContact CA-O 3.31Å; L303-V334 WeakPolarHBondContact CA-O 3.45Å; L303-V334 HydrophobicContact CG-CB 4.44Å; L303-I336 HydrophobicContact CB-CG1 4.3Å; L303-I336 HydrophobicContact CD2-CD1 4.19Å; L303-I336 HydrophobicContact CD2-CG1 3.96Å; L303-F349 HydrophobicContact CD1-CE1 3.89Å; L303-F349 HydrophobicContact CD1-CE2 4.18Å; L303-F349 HydrophobicContact CD1-CZ 3.54Å; L303-F349 HydrophobicContact CD2-CD2 4.1Å; L303-F349 HydrophobicContact CD2-CE2 3.43Å; L303-F349 VanDerWaalsContact CD2-CE2 3.43Å; L303-F349 HydrophobicContact CD2-CZ 3.69Å; L303-F349 HydrophobicContact CG-CE2 4.43Å; L303-F349 HydrophobicContact CG-CZ 4.26Å; L303-A359 CarbonylContact O-C 3.56Å; L303-A359 WeakPolarHBondContact O-CA 3.38Å; L303-R360 PolarHBondContact N-O 3.43Å; L303-R360 PolarHBondContact O-N 2.78Å; L303-I362 HydrophobicContact CD1-CG2 3.79Å
304	L	96.9	Very high	92.7	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.01	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	116.5	172	-76	82.1	0	0	0	108.4	A320 F333 V334 L335 I336 L382	L304-A320 HydrophobicContact CD2-CB 3.74Å; L304-F333 HydrophobicContact CD1-CB 4.5Å; L304-F333 HydrophobicContact CD1-CD1 3.89Å; L304-V334 PolarHBondContact N-O 3.43Å; L304-L335 HydrophobicContact CB-CD1 3.89Å; L304-I336 PolarHBondContact O-N 3.46Å; L304-L382 HydrophobicContact CD1-CD2 4.41Å; L304-L382 HydrophobicContact CD2-CD2 4.11Å
305	F	96.1	Very high	93.3	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	113.7	176.6	-61	-93.6	0	0	0	108.5	L303 I336 V338 L346 F349 V351 P357 T358 R360	L303-F305 HydrophobicContact CB-CD2 4.42Å; L303-F305 HydrophobicContact CB-CE2 3.62Å; L303-F305 HydrophobicContact CB-CZ 3.85Å; L303-F305 HydrophobicContact CD2-CZ 4.19Å; L303-F305 WeakPolarHBondContact O-CD2 3.36Å; F305-I336 WeakPolarHBondContact CA-O 3.29Å; F305-I336 HydrophobicContact CD1-CB 3.69Å; F305-I336 HydrophobicContact CD1-CG1 4.17Å; F305-I336 HydrophobicContact CD1-CG2 3.69Å; F305-I336 HydrophobicContact CE1-CB 3.92Å; F305-I336 HydrophobicContact CE1-CG1 3.91Å; F305-I336 HydrophobicContact CE1-CG2 3.85Å; F305-I336 HydrophobicContact CG-CB 4.36Å; F305-I336 HydrophobicContact CZ-CG1 4.34Å; F305-V338 HydrophobicContact CB-CG1 3.99Å; F305-V338 HydrophobicContact CD1-CG1 4.42Å; F305-L346 HydrophobicContact CD1-CD2 3.63Å; F305-L346 HydrophobicContact CE1-CD2 3.85Å; F305-F349 HydrophobicContact CE1-CB 4.45Å; F305-F349 HydrophobicContact CE1-CD2 4.47Å; F305-F349 HydrophobicContact CE2-CB 4.41Å; F305-F349 HydrophobicContact CE2-CG 4.46Å; F305-F349 HydrophobicContact CZ-CB 3.75Å; F305-F349 AromaticContact CZ-CD2 3.78Å; F305-F349 HydrophobicContact CZ-CD2 3.78Å; F305-F349 AromaticContact CZ-CG 3.76Å; F305-F349 HydrophobicContact CZ-CG 3.76Å; F305-V351 HydrophobicContact CB-CG1 4.06Å; F305-V351 HydrophobicContact CD1-CB 4.31Å; F305-V351 HydrophobicContact CD1-CG1 3.92Å; F305-V351 HydrophobicContact CD1-CG2 4.46Å; F305-V351 HydrophobicContact CD2-CG1 4.46Å; F305-V351 HydrophobicContact CD2-CG2 4.13Å; F305-V351 HydrophobicContact CE1-CB 4.42Å; F305-V351 HydrophobicContact CE1-CG2 4.42Å; F305-V351 HydrophobicContact CE2-CG2 4.1Å; F305-V351 HydrophobicContact CG-CB 4.49Å; F305-V351 HydrophobicContact CG-CG1 3.89Å; F305-V351 HydrophobicContact CG-CG2 4.32Å; F305-V351 HydrophobicContact CZ-CG2 4.24Å; F305-P357 WeakPolarHBondContact O-CA 3.45Å; F305-T358 HydrophobicContact CB-CG2 4Å; F305-T358 HydrophobicContact CD2-CG2 4.24Å; F305-T358 HydrophobicContact CG-CG2 4.41Å; F305-T358 PolarHBondContact N-O 3.18Å; F305-T358 PolarHBondContact O-N 3.24Å; F305-T358 VanDerWaalsContact O-N 3.13Å; F305-R360 HydrophobicContact CD2-CG 4.44Å; F305-R360 HydrophobicContact CE2-CB 3.91Å; F305-R360 HydrophobicContact CE2-CG 3.7Å; F305-R360 HydrophobicContact CZ-CG 4.46Å
306	I	95.7	Very high	94	Very high	3 Å²	3	47.4 Å²	47.4	2%	0.015	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	159	178.2	63.5	78.9	0	0	0	110.9	S308 Q313 L314 V317 L335 I336 D337 V338	I306-S308 VanDerWaalsContact CD1-N 3.34Å; I306-Q313 VanDerWaalsContact CA-OE1 3.29Å; I306-Q313 HydrophobicContact CB-CB 4.16Å; I306-Q313 HydrophobicContact CG2-CB 4.31Å; I306-L314 HydrophobicContact CD1-CD2 4.49Å; I306-V317 HydrophobicContact CG1-CG2 4.17Å; I306-V317 HydrophobicContact CG2-CG2 3.87Å; I306-L335 HydrophobicContact CG1-CD1 3.54Å; I306-L335 HydrophobicContact CG1-CD2 4.34Å; I306-L335 HydrophobicContact CG1-CG 4.02Å; I306-L335 HydrophobicContact CG2-CD1 4.23Å; I306-I336 PolarHBondContact N-O 2.96Å; I306-D337 CarbonylContact O-C 3.34Å; I306-D337 WeakPolarHBondContact O-CA 3.09Å; I306-V338 PolarHBondContact O-N 2.74Å
307	N	94.8	Very high	94.6	Very high	31 Å²	31	46.9 Å²	46.9	17%	0.166	24%	0.238	C	C	.	.			trans	-99.2	108.7	164.4	-176.8	-32.5	0	0	0	108	T309 V310 V338 T339	N307-T309 PolarHBondContact O-N 3.02Å; N307-T309 VanDerWaalsContact O-N 3.09Å; N307-T309 WeakPolarHBondContact OD1-CB 3.42Å; N307-T309 PolarHBondContact OD1-N 3.17Å; N307-T309 PolarHBondContact OD1-OG1 2.84Å; N307-V310 HydrophobicContact CB-CG2 4Å; N307-V310 PolarHBondContact O-N 2.68Å; N307-V338 HydrophobicContact CB-CG2 3.97Å; N307-T339 HydrophobicContact CB-CG2 4.36Å; N307-T339 VanDerWaalsContact CG-CG2 3.47Å; N307-T339 WeakPolarHBondContact OD1-CG2 3.24Å
308	S	92.9	Very high	95.1	Very high	45 Å²	45	44 Å²	44	32%	0.315	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-15.5	-174.6	62.9	0	0	0	0	113.9	I306 V310 D337	I306-S308 VanDerWaalsContact CD1-N 3.34Å; S308-V310 VanDerWaalsContact C-N 3.27Å; S308-V310 PolarHBondContact O-N 2.99Å; S308-D337 WeakPolarHBondContact CB-OD2 3.42Å; S308-D337 PolarHBondContact N-OD1 3.35Å; S308-D337 VanDerWaalsContact OG-CG 3.26Å; S308-D337 PolarHBondContact OG-OD1 2.86Å; S308-D337 PolarHBondContact OG-OD2 3.5Å
309	T	94.4	Very high	95.3	Very high	114 Å²	114	47.6 Å²	47.6	70%	0.699	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-7.8	175.3	74.5	0	0	0	0	113.2	N307 T339	N307-T309 PolarHBondContact O-N 3.02Å; N307-T309 VanDerWaalsContact O-N 3.09Å; N307-T309 WeakPolarHBondContact OD1-CB 3.42Å; N307-T309 PolarHBondContact OD1-N 3.17Å; N307-T309 PolarHBondContact OD1-OG1 2.84Å; T309-T339 HydrophobicContact CG2-CG2 4.44Å
310	V	95.6	Very high	95.6	Very high	49 Å²	49	43.5 Å²	43.5	30%	0.297	23%	0.233	S	C	.	.			trans	-105.7	108	-177.5	-175.3	0	0	0	0	110.7	N307 S308 S312 Q313 L314	N307-V310 HydrophobicContact CB-CG2 4Å; N307-V310 PolarHBondContact O-N 2.68Å; S308-V310 VanDerWaalsContact C-N 3.27Å; S308-V310 PolarHBondContact O-N 2.99Å; V310-S312 VanDerWaalsContact C-N 3.33Å; V310-S312 WeakPolarHBondContact CG1-OG 3.26Å; V310-S312 PolarHBondContact O-N 3.11Å; V310-Q313 HydrophobicContact CB-CB 4.35Å; V310-Q313 HydrophobicContact CB-CG 3.94Å; V310-Q313 HydrophobicContact CG1-CG 3.83Å; V310-Q313 WeakPolarHBondContact O-CB 3.21Å; V310-Q313 PolarHBondContact O-N 3.43Å; V310-L314 PolarHBondContact O-N 2.66Å
311	Q	96	Very high	95.5	Very high	120 Å²	120	45 Å²	45	56%	0.561	24%	0.239	S	C	*	.	H	α-helix	trans	-55.7	-40.9	-174.7	-175.3	60.8	39.2	0	0	114.2	Q313 L314 E315	Q311-Q313 PolarHBondContact O-N 3.45Å; Q311-L314 WeakPolarHBondContact O-CB 3.31Å; Q311-L314 PolarHBondContact O-N 2.58Å; Q311-L314 VanDerWaalsContact O-N 3.13Å; Q311-E315 PolarHBondContact O-N 2.97Å
312	S	95.3	Very high	95.5	Very high	78 Å²	78	47.7 Å²	47.7	55%	0.545	26%	0.263	S	S	.	.	H	α-helix	trans	-64.9	-26.5	178.9	55.6	0	0	0	0	113	V310 L316	V310-S312 VanDerWaalsContact C-N 3.33Å; V310-S312 WeakPolarHBondContact CG1-OG 3.26Å; V310-S312 PolarHBondContact O-N 3.11Å; S312-L316 PolarHBondContact O-N 3.5Å
313	Q	95.3	Very high	95.5	Very high	17 Å²	17	48.1 Å²	48.1	8%	0.079	27%	0.265	C	S	.	.	H	α-helix	trans	-77.3	-34.6	174.4	-57.6	-168.6	23	0	0	111.3	I306 V310 Q311 L316 V317 A356 P357	I306-Q313 VanDerWaalsContact CA-OE1 3.29Å; I306-Q313 HydrophobicContact CB-CB 4.16Å; I306-Q313 HydrophobicContact CG2-CB 4.31Å; V310-Q313 HydrophobicContact CB-CB 4.35Å; V310-Q313 HydrophobicContact CB-CG 3.94Å; V310-Q313 HydrophobicContact CG1-CG 3.83Å; V310-Q313 WeakPolarHBondContact O-CB 3.21Å; V310-Q313 PolarHBondContact O-N 3.43Å; Q311-Q313 PolarHBondContact O-N 3.45Å; Q313-L316 WeakPolarHBondContact O-CB 3.44Å; Q313-L316 PolarHBondContact O-N 3.46Å; Q313-V317 WeakPolarHBondContact O-CG2 3.45Å; Q313-V317 PolarHBondContact O-N 3.47Å; Q313-V317 VanDerWaalsContact O-N 3.09Å; Q313-A356 PolarHBondContact NE2-O 2.78Å; Q313-P357 HydrophobicContact CG-CB 4Å; Q313-P357 HydrophobicContact CG-CG 4.02Å
314	L	94.8	Very high	95.5	Very high	60 Å²	60	47.5 Å²	47.5	31%	0.314	26%	0.262	S	S	.	.	H	α-helix	trans	-63.8	-40.8	171.3	-62.4	177.6	0	0	0	111.7	I306 V310 Q311 L316 V317 E318	I306-L314 HydrophobicContact CD1-CD2 4.49Å; V310-L314 PolarHBondContact O-N 2.66Å; Q311-L314 WeakPolarHBondContact O-CB 3.31Å; Q311-L314 PolarHBondContact O-N 2.58Å; Q311-L314 VanDerWaalsContact O-N 3.13Å; L314-L316 VanDerWaalsContact C-N 3.28Å; L314-L316 PolarHBondContact O-N 2.81Å; L314-V317 WeakPolarHBondContact O-CB 3.33Å; L314-V317 PolarHBondContact O-N 3.47Å; L314-E318 PolarHBondContact O-N 3.5Å; L314-E318 VanDerWaalsContact O-N 3.11Å
315	E	95.5	Very high	95.4	Very high	100 Å²	100	52.1 Å²	52.1	47%	0.467	28%	0.282	S	S	.	.	H	α-helix	trans	-61.7	-36.3	174	-71.5	170.8	-171.7	0	0	112.3	Q311 E318 Q319	Q311-E315 PolarHBondContact O-N 2.97Å; E315-E318 PolarHBondContact O-N 3.36Å; E315-Q319 WeakPolarHBondContact O-CG 3.37Å; E315-Q319 PolarHBondContact O-N 2.73Å
316	L	95.8	Very high	95.4	Very high	20 Å²	20	58.2 Å²	58.2	11%	0.105	31%	0.311	C	S	.	.	H	α-helix	trans	-66.1	-37.4	174.7	-179.5	63.3	0	0	0	112.1	S312 Q313 L314 Q319 A320 P357 L377	S312-L316 PolarHBondContact O-N 3.5Å; Q313-L316 WeakPolarHBondContact O-CB 3.44Å; Q313-L316 PolarHBondContact O-N 3.46Å; L314-L316 VanDerWaalsContact C-N 3.28Å; L314-L316 PolarHBondContact O-N 2.81Å; L316-Q319 PolarHBondContact O-N 2.97Å; L316-A320 WeakPolarHBondContact O-CB 3.21Å; L316-A320 PolarHBondContact O-N 3.32Å; L316-P357 HydrophobicContact CD2-CB 3.91Å; L316-P357 HydrophobicContact CD2-CG 4.16Å; L316-L377 HydrophobicContact CD2-CB 4.27Å; L316-L377 HydrophobicContact CD2-CD2 3.65Å; L316-L377 HydrophobicContact CD2-CG 3.82Å; L316-L377 HydrophobicContact CG-CD2 4.46Å
317	V	95.7	Very high	95.4	Very high	12 Å²	12	58.2 Å²	58.2	7%	0.073	31%	0.31	C	S	.	.	H	α-helix	trans	-62.6	-43.5	173.7	176.2	0	0	0	0	110.9	I282 I306 Q313 L314 Q319 A320 K321 L335	I282-V317 HydrophobicContact CD1-CG1 4.09Å; I282-V317 WeakPolarHBondContact CD1-O 3.24Å; I282-V317 HydrophobicContact CG2-CG1 4.43Å; I306-V317 HydrophobicContact CG1-CG2 4.17Å; I306-V317 HydrophobicContact CG2-CG2 3.87Å; Q313-V317 WeakPolarHBondContact O-CG2 3.45Å; Q313-V317 PolarHBondContact O-N 3.47Å; Q313-V317 VanDerWaalsContact O-N 3.09Å; L314-V317 WeakPolarHBondContact O-CB 3.33Å; L314-V317 PolarHBondContact O-N 3.47Å; V317-Q319 VanDerWaalsContact C-N 3.34Å; V317-Q319 PolarHBondContact O-N 2.9Å; V317-A320 WeakPolarHBondContact O-CB 3.36Å; V317-A320 PolarHBondContact O-N 3.19Å; V317-K321 PolarHBondContact O-N 3.08Å; V317-L335 HydrophobicContact CG1-CD1 4.18Å; V317-L335 HydrophobicContact CG1-CD2 4.26Å; V317-L335 HydrophobicContact CG2-CD1 3.55Å; V317-L335 HydrophobicContact CG2-CD2 4.45Å
318	E	94.3	Very high	95.2	Very high	112 Å²	112	61.3 Å²	61.3	52%	0.523	32%	0.323	S	S	.	.	H	α-helix	trans	-61.7	-41.4	175.4	-70.3	-57.4	134.4	0	0	112.1	L314 E315 A320 K321	L314-E318 PolarHBondContact O-N 3.5Å; L314-E318 VanDerWaalsContact O-N 3.11Å; E315-E318 PolarHBondContact O-N 3.36Å; E318-A320 VanDerWaalsContact C-N 3.33Å; E318-A320 PolarHBondContact O-N 3.02Å; E318-K321 WeakPolarHBondContact O-CB 3.27Å; E318-K321 PolarHBondContact O-N 2.99Å; E318-K321 WeakPolarHBondContact OE1-CE 3.45Å; E318-K321 IonicContact OE1-NZ 2.68Å; E318-K321 PolarHBondContact OE1-NZ 3.32Å; E318-K321 WeakPolarHBondContact OE2-CE 3.42Å; E318-K321 IonicContact OE2-NZ 2.68Å; E318-K321 PolarHBondContact OE2-NZ 3.05Å
319	Q	95.5	Very high	94.9	Very high	107 Å²	107	62 Å²	62	50%	0.5	34%	0.336	S	S	.	.	H	α-helix	trans	-64.1	-38.4	174.4	-68.2	168.7	37	0	0	111.9	E315 L316 V317 K321 A322 A379	E315-Q319 WeakPolarHBondContact O-CG 3.37Å; E315-Q319 PolarHBondContact O-N 2.73Å; L316-Q319 PolarHBondContact O-N 2.97Å; V317-Q319 VanDerWaalsContact C-N 3.34Å; V317-Q319 PolarHBondContact O-N 2.9Å; Q319-K321 PolarHBondContact O-N 3.38Å; Q319-A322 PolarHBondContact O-N 2.92Å; Q319-A379 HydrophobicContact CB-CB 4.24Å
320	A	96.6	Very high	94.9	Very high	1 Å²	1	62.3 Å²	62.3	1%	0.008	33%	0.328	C	S	.	.	H	α-helix	trans	-65.1	-19.6	178.1	0	0	0	0	0	113.3	I282 L304 L316 V317 E318 A322 V323 A324 L382	I282-A320 HydrophobicContact CD1-CB 3.82Å; L304-A320 HydrophobicContact CD2-CB 3.74Å; L316-A320 WeakPolarHBondContact O-CB 3.21Å; L316-A320 PolarHBondContact O-N 3.32Å; V317-A320 WeakPolarHBondContact O-CB 3.36Å; V317-A320 PolarHBondContact O-N 3.19Å; E318-A320 VanDerWaalsContact C-N 3.33Å; E318-A320 PolarHBondContact O-N 3.02Å; A320-A322 VanDerWaalsContact C-N 3.26Å; A320-A322 PolarHBondContact O-N 3.33Å; A320-V323 WeakPolarHBondContact O-CB 3.47Å; A320-V323 PolarHBondContact O-N 2.78Å; A320-V323 VanDerWaalsContact O-N 3.11Å; A320-A324 PolarHBondContact O-N 2.84Å; A320-L382 HydrophobicContact CB-CD2 3.7Å
321	K	95.2	Very high	94.9	Very high	52 Å²	52	60.2 Å²	60.2	23%	0.226	32%	0.315	C	S	.	.	H	α-helix	trans	-60.7	-35.3	175.6	-69.4	-178.5	-179.5	167.2	0	112.6	I282 V317 E318 Q319 V323 A324 K325	I282-K321 HydrophobicContact CD1-CG 3.83Å; I282-K321 HydrophobicContact CG1-CG 4.27Å; V317-K321 PolarHBondContact O-N 3.08Å; E318-K321 WeakPolarHBondContact O-CB 3.27Å; E318-K321 PolarHBondContact O-N 2.99Å; E318-K321 WeakPolarHBondContact OE1-CE 3.45Å; E318-K321 IonicContact OE1-NZ 2.68Å; E318-K321 PolarHBondContact OE1-NZ 3.32Å; E318-K321 WeakPolarHBondContact OE2-CE 3.42Å; E318-K321 IonicContact OE2-NZ 2.68Å; E318-K321 PolarHBondContact OE2-NZ 3.05Å; Q319-K321 PolarHBondContact O-N 3.38Å; K321-V323 VanDerWaalsContact C-N 3.32Å; K321-V323 PolarHBondContact O-N 2.95Å; K321-A324 PolarHBondContact O-N 2.74Å; K321-K325 WeakPolarHBondContact O-CB 3.46Å; K321-K325 PolarHBondContact O-N 2.83Å
322	A	95.3	Very high	94.9	Very high	66 Å²	66	55.3 Å²	55.3	55%	0.545	29%	0.292	S	S	.	.	H	α-helix	trans	-62.1	-43	175.2	0	0	0	0	0	110.9	Q319 A320 K325 E326	Q319-A322 PolarHBondContact O-N 2.92Å; A320-A322 VanDerWaalsContact C-N 3.26Å; A320-A322 PolarHBondContact O-N 3.33Å; A322-K325 PolarHBondContact O-N 3.22Å; A322-E326 PolarHBondContact O-N 3.24Å
323	V	97.6	Very high	95	Very high	8 Å²	8	51.7 Å²	51.7	5%	0.048	27%	0.267	C	S	.	.	H	α-helix	trans	-62.6	-51.6	174	-175.9	0	0	0	0	110.3	A320 K321 K325 E326 F327 F333 A379 L382 W383	A320-V323 WeakPolarHBondContact O-CB 3.47Å; A320-V323 PolarHBondContact O-N 2.78Å; A320-V323 VanDerWaalsContact O-N 3.11Å; K321-V323 VanDerWaalsContact C-N 3.32Å; K321-V323 PolarHBondContact O-N 2.95Å; V323-K325 PolarHBondContact O-N 2.94Å; V323-E326 PolarHBondContact O-N 2.86Å; V323-F327 HydrophobicContact CG1-CD2 3.99Å; V323-F327 HydrophobicContact CG1-CE2 3.95Å; V323-F327 VanDerWaalsContact O-CD2 3.31Å; V323-F327 WeakPolarHBondContact O-CD2 3.46Å; V323-F327 PolarHBondContact O-N 3.47Å; V323-F333 HydrophobicContact CG1-CE1 4.4Å; V323-F333 HydrophobicContact CG1-CZ 4.41Å; V323-A379 HydrophobicContact CG2-CB 4.22Å; V323-A379 WeakPolarHBondContact CG2-O 3.41Å; V323-L382 HydrophobicContact CB-CD2 4.48Å; V323-L382 HydrophobicContact CG1-CD2 4.4Å; V323-L382 HydrophobicContact CG1-CG 4.2Å; V323-W383 HydrophobicContact CG1-CB 3.87Å; V323-W383 HydrophobicContact CG1-CG 4.38Å; V323-W383 HydrophobicContact CG2-CB 4.06Å
324	A	96.6	Very high	95	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.008	27%	0.265	C	S	.	.	H	α-helix	trans	-55.7	-37.7	-179.2	0	0	0	0	0	112.8	L281 I282 A320 K321 E326 F327 K328 F333	L281-A324 HydrophobicContact CB-CB 4.24Å; I282-A324 HydrophobicContact CG1-CB 3.92Å; A320-A324 PolarHBondContact O-N 2.84Å; K321-A324 PolarHBondContact O-N 2.74Å; A324-E326 PolarHBondContact O-N 3.07Å; A324-F327 CarbonylContact O-C 3.53Å; A324-F327 PolarHBondContact O-N 2.91Å; A324-K328 PolarHBondContact O-N 3.49Å; A324-F333 HydrophobicContact CB-CB 4.21Å; A324-F333 HydrophobicContact CB-CD1 4.03Å; A324-F333 HydrophobicContact CB-CD2 3.59Å; A324-F333 HydrophobicContact CB-CE1 4.34Å; A324-F333 HydrophobicContact CB-CE2 3.97Å; A324-F333 HydrophobicContact CB-CG 3.66Å; A324-F333 HydrophobicContact CB-CZ 4.32Å
325	K	94.1	Very high	95.1	Very high	98 Å²	98	49.7 Å²	49.7	43%	0.426	26%	0.257	S	S	.	.	H	α-helix	trans	-61.4	-40.2	176.4	-169	170.6	-172	161.9	0	113	D252 L281 K321 A322 V323 F327 K328	D252-K325 IonicContact OD1-NZ 2.66Å; D252-K325 PolarHBondContact OD1-NZ 2.97Å; D252-K325 WeakPolarHBondContact OD2-CE 3.37Å; D252-K325 IonicContact OD2-NZ 2.78Å; D252-K325 PolarHBondContact OD2-NZ 3.31Å; L281-K325 HydrophobicContact CD1-CB 4.12Å; L281-K325 HydrophobicContact CD1-CG 4.49Å; L281-K325 HydrophobicContact CD2-CB 4.45Å; K321-K325 WeakPolarHBondContact O-CB 3.46Å; K321-K325 PolarHBondContact O-N 2.83Å; A322-K325 PolarHBondContact O-N 3.22Å; V323-K325 PolarHBondContact O-N 2.94Å; K325-F327 VanDerWaalsContact C-N 3.27Å; K325-F327 PolarHBondContact O-N 2.97Å; K325-K328 WeakPolarHBondContact O-CB 3.42Å; K325-K328 PolarHBondContact O-N 3.4Å
326	E	96.1	Very high	95	Very high	128 Å²	128	45 Å²	45	60%	0.598	24%	0.235	S	C	*	.	H	α-helix	trans	-68	-27.7	178.8	-68.2	-172.1	-158.6	0	0	113.2	A322 V323 A324 W383	A322-E326 PolarHBondContact O-N 3.24Å; V323-E326 PolarHBondContact O-N 2.86Å; A324-E326 PolarHBondContact O-N 3.07Å; E326-W383 PolarHBondContact OE2-NE1 2.86Å
327	F	95.8	Very high	95	Very high	3 Å²	3	45 Å²	45	1%	0.013	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	11.4	179.8	-67.4	-83.6	0	0	0	113.6	V323 A324 K325 G329 K330 M331 F333 W383 C386 Q387 V390	V323-F327 HydrophobicContact CG1-CD2 3.99Å; V323-F327 HydrophobicContact CG1-CE2 3.95Å; V323-F327 VanDerWaalsContact O-CD2 3.31Å; V323-F327 WeakPolarHBondContact O-CD2 3.46Å; V323-F327 PolarHBondContact O-N 3.47Å; A324-F327 CarbonylContact O-C 3.53Å; A324-F327 PolarHBondContact O-N 2.91Å; K325-F327 VanDerWaalsContact C-N 3.27Å; K325-F327 PolarHBondContact O-N 2.97Å; F327-G329 PolarHBondContact O-N 3.33Å; F327-K330 WeakPolarHBondContact O-CB 3.43Å; F327-K330 PolarHBondContact O-N 2.93Å; F327-M331 HydrophobicContact CB-CB 4.14Å; F327-M331 PolarHBondContact O-N 2.9Å; F327-F333 HydrophobicContact CB-CE2 3.8Å; F327-F333 HydrophobicContact CB-CZ 4.08Å; F327-F333 HydrophobicContact CD2-CZ 4.25Å; F327-F333 HydrophobicContact CG-CZ 4.43Å; F327-W383 AromaticContact CE2-CD1 3.73Å; F327-W383 HydrophobicContact CE2-CG 4.27Å; F327-W383 AromaticContact CE2-NE1 3.96Å; F327-C386 HydrophobicContact CD1-CB 4.15Å; F327-C386 HydrophobicContact CD2-CB 3.89Å; F327-C386 HydrophobicContact CE1-CB 3.77Å; F327-C386 HydrophobicContact CE2-CB 3.52Å; F327-C386 HydrophobicContact CG-CB 4.22Å; F327-C386 HydrophobicContact CZ-CB 3.46Å; F327-C386 VanDerWaalsContact CZ-CB 3.46Å; F327-Q387 HydrophobicContact CZ-CB 4.1Å; F327-V390 HydrophobicContact CD1-CG2 4.05Å; F327-V390 HydrophobicContact CE1-CG2 4.12Å
328	K	90.4	Very high	94.8	Very high	97 Å²	97	44.4 Å²	44.4	42%	0.422	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	130	176.5	-169.6	178	-178.4	-175.8	0	110.3	E255 N277 A324 K325 K330	E255-K328 IonicContact OE1-NZ 3.63Å; E255-K328 PolarHBondContact OE1-NZ 3.08Å; E255-K328 IonicContact OE2-NZ 3.62Å; E255-K328 PolarHBondContact OE2-NZ 2.81Å; N277-K328 WeakPolarHBondContact OD1-CE 3.31Å; N277-K328 PolarHBondContact OD1-NZ 3.06Å; A324-K328 PolarHBondContact O-N 3.49Å; K325-K328 WeakPolarHBondContact O-CB 3.42Å; K325-K328 PolarHBondContact O-N 3.4Å; K328-K330 PolarHBondContact O-N 3.43Å
329	G	88.1	Confident	94.6	Very high	58 Å²	58	42.1 Å²	42.1	60%	0.598	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.7	-13.6	-176.8	0	0	0	0	0	115.5	F327	F327-G329 PolarHBondContact O-N 3.33Å
330	K	93.9	Very high	94.1	Very high	121 Å²	121	41.8 Å²	41.8	53%	0.526	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-35.2	177.6	-59.3	178.1	-175.7	172.9	0	112.6	I298 F327 K328 V390	I298-K330 WeakPolarHBondContact CG2-O 3.39Å; F327-K330 WeakPolarHBondContact O-CB 3.43Å; F327-K330 PolarHBondContact O-N 2.93Å; K328-K330 PolarHBondContact O-N 3.43Å; K330-V390 HydrophobicContact CD-CG1 4.4Å
331	M	95.4	Very high	93.1	Very high	5 Å²	5	46.6 Å²	46.6	3%	0.025	26%	0.264	C	S	.	.			trans	-143	138	-176.3	-168.7	173.1	-67.6	0	0	110.5	L300 F327 F333 I361 C386 V389 V390	L300-M331 HydrophobicContact CB-CB 4.32Å; L300-M331 HydrophobicContact CB-CE 4.04Å; L300-M331 HydrophobicContact CB-CG 4.01Å; L300-M331 HydrophobicContact CD1-CE 4.08Å; L300-M331 CarbonylContact O-C 3.56Å; L300-M331 WeakPolarHBondContact O-CA 3.15Å; L300-M331 WeakPolarHBondContact O-CG 2.96Å; F327-M331 HydrophobicContact CB-CB 4.14Å; F327-M331 PolarHBondContact O-N 2.9Å; M331-F333 HydrophobicContact CB-CE2 3.99Å; M331-F333 HydrophobicContact CG-CE2 4.06Å; M331-F333 HydrophobicContact CG-CZ 4.41Å; M331-F333 HydrophobicContact SD-CE2 4.31Å; M331-F333 HydrophobicContact SD-CZ 4.05Å; M331-I361 HydrophobicContact CE-CD1 4Å; M331-I361 HydrophobicContact CE-CG2 3.95Å; M331-I361 HydrophobicContact SD-CD1 3.95Å; M331-I361 HydrophobicContact SD-CG2 4.21Å; M331-C386 HydrophobicContact CE-CB 4.19Å; M331-C386 HydrophobicContact SD-CB 4.12Å; M331-C386 VanDerWaalsContact SD-SG 3.6Å; M331-V389 HydrophobicContact CE-CB 4.49Å; M331-V389 HydrophobicContact CE-CG1 4.34Å; M331-V390 HydrophobicContact CE-CG2 3.98Å
332	L	95	Very high	92.2	Very high	17 Å²	17	45.3 Å²	45.3	9%	0.089	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	137.3	169.6	-76.5	179.7	0	0	0	109.6	I283 S296 I298 L300 H301 S302	I283-L332 HydrophobicContact CD1-CD2 4.14Å; S296-L332 VanDerWaalsContact CB-CD1 3.42Å; S296-L332 VanDerWaalsContact OG-CD1 3.3Å; S296-L332 WeakPolarHBondContact OG-CD1 3.35Å; I298-L332 HydrophobicContact CB-CD1 4.35Å; I298-L332 HydrophobicContact CB-CG 3.94Å; I298-L332 HydrophobicContact CD1-CD2 3.9Å; I298-L332 HydrophobicContact CD1-CG 4.04Å; I298-L332 HydrophobicContact CG2-CG 4.03Å; L300-L332 PolarHBondContact O-N 3.23Å; H301-L332 CarbonylContact C-O 3.6Å; H301-L332 WeakPolarHBondContact CA-O 3.15Å; S302-L332 PolarHBondContact N-O 3.23Å
333	F	97.4	Very high	91.4	Very high	3 Å²	3	45.2 Å²	45.2	1%	0.013	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	128.1	173.6	-66.7	-108.3	0	0	0	108.5	L281 I282 I283 S302 L304 V323 A324 F327 M331 L382	L281-F333 WeakPolarHBondContact O-CB 3.17Å; I282-F333 HydrophobicContact CB-CB 4.38Å; I282-F333 HydrophobicContact CG1-CB 3.98Å; I282-F333 HydrophobicContact CG2-CB 4.42Å; I283-F333 PolarHBondContact N-O 3.47Å; S302-F333 CarbonylContact O-C 3.59Å; S302-F333 WeakPolarHBondContact O-CA 3.23Å; L304-F333 HydrophobicContact CD1-CB 4.5Å; L304-F333 HydrophobicContact CD1-CD1 3.89Å; V323-F333 HydrophobicContact CG1-CE1 4.4Å; V323-F333 HydrophobicContact CG1-CZ 4.41Å; A324-F333 HydrophobicContact CB-CB 4.21Å; A324-F333 HydrophobicContact CB-CD1 4.03Å; A324-F333 HydrophobicContact CB-CD2 3.59Å; A324-F333 HydrophobicContact CB-CE1 4.34Å; A324-F333 HydrophobicContact CB-CE2 3.97Å; A324-F333 HydrophobicContact CB-CG 3.66Å; A324-F333 HydrophobicContact CB-CZ 4.32Å; F327-F333 HydrophobicContact CB-CE2 3.8Å; F327-F333 HydrophobicContact CB-CZ 4.08Å; F327-F333 HydrophobicContact CD2-CZ 4.25Å; F327-F333 HydrophobicContact CG-CZ 4.43Å; M331-F333 HydrophobicContact CB-CE2 3.99Å; M331-F333 HydrophobicContact CG-CE2 4.06Å; M331-F333 HydrophobicContact CG-CZ 4.41Å; M331-F333 HydrophobicContact SD-CE2 4.31Å; M331-F333 HydrophobicContact SD-CZ 4.05Å; F333-L382 HydrophobicContact CE1-CD2 4.24Å; F333-L382 HydrophobicContact CE1-CG 4.42Å
334	V	96.3	Very high	90.4	Very high	5 Å²	5	49.6 Å²	49.6	3%	0.03	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	129.4	-175.9	-178.1	0	0	0	0	107.9	I283 F285 I293 S302 L303 L304 I336	I283-V334 CarbonylContact O-C 3.52Å; I283-V334 WeakPolarHBondContact O-CA 3.49Å; F285-V334 HydrophobicContact CB-CG1 3.78Å; F285-V334 HydrophobicContact CD2-CG1 4.13Å; F285-V334 HydrophobicContact CG-CG1 4.37Å; I293-V334 HydrophobicContact CD1-CG1 4.1Å; I293-V334 HydrophobicContact CD1-CG2 4.18Å; I293-V334 HydrophobicContact CG2-CG2 4.14Å; S302-V334 PolarHBondContact O-N 3.47Å; L303-V334 CarbonylContact C-O 3.47Å; L303-V334 VanDerWaalsContact CA-O 3.31Å; L303-V334 WeakPolarHBondContact CA-O 3.45Å; L303-V334 HydrophobicContact CG-CB 4.44Å; L304-V334 PolarHBondContact N-O 3.43Å; V334-I336 HydrophobicContact CG1-CD1 3.97Å
335	L	96.3	Very high	89.8	Confident	30 Å²	30	49.8 Å²	49.8	16%	0.157	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	122.4	176.4	-169	68.9	0	0	0	109.8	I282 I283 F285 L304 I306 V317	I282-L335 HydrophobicContact CG2-CB 3.89Å; I282-L335 HydrophobicContact CG2-CD1 4.49Å; I283-L335 PolarHBondContact O-N 3.4Å; F285-L335 WeakPolarHBondContact CB-O 3.5Å; F285-L335 PolarHBondContact N-O 3.17Å; L304-L335 HydrophobicContact CB-CD1 3.89Å; I306-L335 HydrophobicContact CG1-CD1 3.54Å; I306-L335 HydrophobicContact CG1-CD2 4.34Å; I306-L335 HydrophobicContact CG1-CG 4.02Å; I306-L335 HydrophobicContact CG2-CD1 4.23Å; V317-L335 HydrophobicContact CG1-CD1 4.18Å; V317-L335 HydrophobicContact CG1-CD2 4.26Å; V317-L335 HydrophobicContact CG2-CD1 3.55Å; V317-L335 HydrophobicContact CG2-CD2 4.45Å
336	I	94.8	Very high	89.4	Confident	1 Å²	1	45.8 Å²	45.8	1%	0.005	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	118.8	173.5	-54.1	-57.8	0	0	0	108.2	F285 L303 L304 F305 I306 V334 L342 V345 L346	F285-I336 HydrophobicContact CB-CD1 3.39Å; F285-I336 HydrophobicContact CD1-CD1 4.03Å; F285-I336 HydrophobicContact CD2-CD1 4.38Å; F285-I336 HydrophobicContact CG-CD1 3.68Å; L303-I336 HydrophobicContact CB-CG1 4.3Å; L303-I336 HydrophobicContact CD2-CD1 4.19Å; L303-I336 HydrophobicContact CD2-CG1 3.96Å; L304-I336 PolarHBondContact O-N 3.46Å; F305-I336 WeakPolarHBondContact CA-O 3.29Å; F305-I336 HydrophobicContact CD1-CB 3.69Å; F305-I336 HydrophobicContact CD1-CG1 4.17Å; F305-I336 HydrophobicContact CD1-CG2 3.69Å; F305-I336 HydrophobicContact CE1-CB 3.92Å; F305-I336 HydrophobicContact CE1-CG1 3.91Å; F305-I336 HydrophobicContact CE1-CG2 3.85Å; F305-I336 HydrophobicContact CG-CB 4.36Å; F305-I336 HydrophobicContact CZ-CG1 4.34Å; I306-I336 PolarHBondContact N-O 2.96Å; V334-I336 HydrophobicContact CG1-CD1 3.97Å; I336-L342 HydrophobicContact CG2-CD1 4.06Å; I336-V345 HydrophobicContact CD1-CG1 4.39Å; I336-L346 HydrophobicContact CG2-CD2 4.28Å
337	D	93.8	Very high	88.9	Confident	19 Å²	19	43.8 Å²	43.8	10%	0.102	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	112.2	170.9	-175.3	-4.5	0	0	0	109.7	I306 S308 T339 Q340	I306-D337 CarbonylContact O-C 3.34Å; I306-D337 WeakPolarHBondContact O-CA 3.09Å; S308-D337 WeakPolarHBondContact CB-OD2 3.42Å; S308-D337 PolarHBondContact N-OD1 3.35Å; S308-D337 VanDerWaalsContact OG-CG 3.26Å; S308-D337 PolarHBondContact OG-OD1 2.86Å; S308-D337 PolarHBondContact OG-OD2 3.5Å; D337-T339 VanDerWaalsContact CG-OG1 3.23Å; D337-T339 PolarHBondContact O-N 2.59Å; D337-T339 WeakPolarHBondContact OD1-CB 3.41Å; D337-T339 PolarHBondContact OD1-N 3.25Å; D337-T339 PolarHBondContact OD1-OG1 2.87Å; D337-T339 PolarHBondContact OD2-OG1 2.95Å; D337-Q340 HydrophobicContact CB-CG 3.99Å; D337-Q340 PolarHBondContact O-N 2.8Å; D337-Q340 PolarHBondContact OD2-NE2 3.49Å
338	V	92.9	Very high	88.2	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.006	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-15.5	-176.7	-54.2	0	0	0	0	112.9	F305 I306 N307 Q340 L346 E353 A356	F305-V338 HydrophobicContact CB-CG1 3.99Å; F305-V338 HydrophobicContact CD1-CG1 4.42Å; I306-V338 PolarHBondContact O-N 2.74Å; N307-V338 HydrophobicContact CB-CG2 3.97Å; V338-Q340 VanDerWaalsContact C-N 3.28Å; V338-L346 HydrophobicContact CB-CD1 4.4Å; V338-L346 HydrophobicContact CB-CD2 4.42Å; V338-L346 HydrophobicContact CG1-CD2 3.94Å; V338-E353 HydrophobicContact CB-CG 4.21Å; V338-E353 HydrophobicContact CG2-CB 4.27Å; V338-E353 HydrophobicContact CG2-CG 4.18Å; V338-A356 HydrophobicContact CG1-CB 4.01Å; V338-A356 HydrophobicContact CG2-CB 3.95Å
339	T	89.4	Confident	88	Confident	64 Å²	64	42 Å²	42	39%	0.393	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-10.5	177.9	68.5	0	0	0	0	113.5	N307 T309 D337	N307-T339 HydrophobicContact CB-CG2 4.36Å; N307-T339 VanDerWaalsContact CG-CG2 3.47Å; N307-T339 WeakPolarHBondContact OD1-CG2 3.24Å; T309-T339 HydrophobicContact CG2-CG2 4.44Å; D337-T339 VanDerWaalsContact CG-OG1 3.23Å; D337-T339 PolarHBondContact O-N 2.59Å; D337-T339 WeakPolarHBondContact OD1-CB 3.41Å; D337-T339 PolarHBondContact OD1-N 3.25Å; D337-T339 PolarHBondContact OD1-OG1 2.87Å; D337-T339 PolarHBondContact OD2-OG1 2.95Å
340	Q	85.8	Confident	87.9	Confident	99 Å²	99	40.2 Å²	40.2	46%	0.463	23%	0.225	S	C	.	.	S	Bend	trans	-87.1	162.9	177.6	-61.5	-173.4	30.3	0	0	111.4	D337 V338 L342	D337-Q340 HydrophobicContact CB-CG 3.99Å; D337-Q340 PolarHBondContact O-N 2.8Å; D337-Q340 PolarHBondContact OD2-NE2 3.49Å; V338-Q340 VanDerWaalsContact C-N 3.28Å; Q340-L342 HydrophobicContact CB-CD1 4.2Å; Q340-L342 HydrophobicContact CB-CG 4.18Å; Q340-L342 PolarHBondContact O-N 2.93Å
341	A	74.2	Confident	87.6	Confident	103 Å²	103	34.8 Å²	34.8	85%	0.851	20%	0.202	S	C	*	.	S	Bend	trans	-73.4	64.2	-179.4	0	0	0	0	0	112.5
342	L	77.1	Confident	87.3	Confident	25 Å²	25	36.6 Å²	36.6	13%	0.131	22%	0.216	C	C	.	.			trans	-118.7	30.4	-175.2	-65.9	177.6	0	0	0	111.9	F285 I336 Q340 H344 V345 L346	F285-L342 HydrophobicContact CD1-CD1 4.07Å; F285-L342 HydrophobicContact CD1-CD2 4.17Å; F285-L342 HydrophobicContact CE1-CD2 4Å; I336-L342 HydrophobicContact CG2-CD1 4.06Å; Q340-L342 HydrophobicContact CB-CD1 4.2Å; Q340-L342 HydrophobicContact CB-CG 4.18Å; Q340-L342 PolarHBondContact O-N 2.93Å; L342-H344 PolarHBondContact O-N 3.48Å; L342-H344 VanDerWaalsContact O-N 3.12Å; L342-V345 HydrophobicContact CB-CB 4.33Å; L342-V345 HydrophobicContact CB-CG2 3.98Å; L342-V345 HydrophobicContact CD2-CG2 4.14Å; L342-V345 WeakPolarHBondContact O-CA 3.12Å; L342-V345 WeakPolarHBondContact O-CB 3.44Å; L342-V345 PolarHBondContact O-N 2.87Å; L342-L346 PolarHBondContact O-N 3.04Å
343	S	77.6	Confident	87.1	Confident	64 Å²	64	41.8 Å²	41.8	45%	0.448	24%	0.239	S	C	.	.	H	α-helix	trans	-54.3	-35.7	-174.7	59.6	0	0	0	0	113.5	V345 L346 N347	S343-V345 PolarHBondContact O-N 3.04Å; S343-L346 PolarHBondContact O-N 3.2Å; S343-N347 VanDerWaalsContact O-CB 3.27Å; S343-N347 WeakPolarHBondContact O-CB 3.46Å; S343-N347 PolarHBondContact O-N 2.95Å; S343-N347 PolarHBondContact O-ND2 3.2Å
344	H	77.3	Confident	86.7	Confident	99 Å²	99	46.5 Å²	46.5	46%	0.458	27%	0.272	S	S	.	.	H	α-helix	trans	-63.8	-39.7	175.7	-59.2	-69.3	0	0	0	112.7	L342 Y348	L342-H344 PolarHBondContact O-N 3.48Å; L342-H344 VanDerWaalsContact O-N 3.12Å; H344-Y348 WeakPolarHBondContact O-CB 3.21Å; H344-Y348 PolarHBondContact O-N 3.02Å
345	V	83.3	Confident	86.5	Confident	5 Å²	5	48.2 Å²	48.2	3%	0.03	28%	0.281	C	S	.	.	H	α-helix	trans	-66	-50.1	176.5	-168	0	0	0	0	109.7	L14 I336 L342 S343 N347 Y348 F349	L14-V345 HydrophobicContact CD2-CB 4.02Å; L14-V345 HydrophobicContact CD2-CG1 3.86Å; L14-V345 HydrophobicContact CD2-CG2 3.33Å; I336-V345 HydrophobicContact CD1-CG1 4.39Å; L342-V345 HydrophobicContact CB-CB 4.33Å; L342-V345 HydrophobicContact CB-CG2 3.98Å; L342-V345 HydrophobicContact CD2-CG2 4.14Å; L342-V345 WeakPolarHBondContact O-CA 3.12Å; L342-V345 WeakPolarHBondContact O-CB 3.44Å; L342-V345 PolarHBondContact O-N 2.87Å; S343-V345 PolarHBondContact O-N 3.04Å; V345-N347 VanDerWaalsContact C-N 3.33Å; V345-N347 PolarHBondContact O-N 2.7Å; V345-Y348 PolarHBondContact O-N 3Å; V345-F349 HydrophobicContact CG1-CD2 4.06Å; V345-F349 HydrophobicContact CG1-CE2 4.2Å; V345-F349 VanDerWaalsContact O-CD2 3.32Å; V345-F349 WeakPolarHBondContact O-CD2 3.45Å; V345-F349 PolarHBondContact O-N 3.19Å
346	L	87.1	Confident	86.3	Confident	14 Å²	14	47.4 Å²	47.4	7%	0.073	28%	0.279	C	S	.	.	H	α-helix	trans	-56	-48.1	178.4	-66.2	-172.9	0	0	0	111.4	F305 I336 V338 L342 S343 Y348 F349 G350 V351	F305-L346 HydrophobicContact CD1-CD2 3.63Å; F305-L346 HydrophobicContact CE1-CD2 3.85Å; I336-L346 HydrophobicContact CG2-CD2 4.28Å; V338-L346 HydrophobicContact CB-CD1 4.4Å; V338-L346 HydrophobicContact CB-CD2 4.42Å; V338-L346 HydrophobicContact CG1-CD2 3.94Å; L342-L346 PolarHBondContact O-N 3.04Å; S343-L346 PolarHBondContact O-N 3.2Å; L346-Y348 PolarHBondContact O-N 3.43Å; L346-F349 CarbonylContact O-C 3.57Å; L346-F349 PolarHBondContact O-N 2.72Å; L346-G350 PolarHBondContact O-N 3.37Å; L346-V351 CarbonylContact C-O 3.57Å; L346-V351 VanDerWaalsContact CB-O 3.31Å; L346-V351 WeakPolarHBondContact CB-O 3.47Å; L346-V351 HydrophobicContact CD2-CB 4.47Å; L346-V351 HydrophobicContact CD2-CG1 4.28Å; L346-V351 PolarHBondContact O-N 3.25Å
347	N	84.1	Confident	86.3	Confident	87 Å²	87	48.9 Å²	48.9	47%	0.465	29%	0.289	S	S	.	.	H	α-helix	trans	-59.6	-49	176.4	-73.2	-22.3	0	0	0	111.8	S343 V345 F349 G350 R399	S343-N347 VanDerWaalsContact O-CB 3.27Å; S343-N347 WeakPolarHBondContact O-CB 3.46Å; S343-N347 PolarHBondContact O-N 2.95Å; S343-N347 PolarHBondContact O-ND2 3.2Å; V345-N347 VanDerWaalsContact C-N 3.33Å; V345-N347 PolarHBondContact O-N 2.7Å; N347-F349 PolarHBondContact O-N 2.79Å; N347-F349 VanDerWaalsContact O-N 3.14Å; N347-G350 PolarHBondContact O-N 2.88Å; N347-R399 PolarHBondContact O-NE 3.47Å; N347-R399 PolarHBondContact O-NH1 3.33Å
348	Y	82.3	Confident	86.4	Confident	52 Å²	52	48 Å²	48	20%	0.204	28%	0.284	C	S	.	.	H	α-helix	trans	-56.1	-34.7	-179.1	-176.6	-103.3	0	0	0	113.2	L10 H344 V345 L346 I362 Q367 K369	L10-Y348 HydrophobicContact CD1-CD1 4.4Å; L10-Y348 HydrophobicContact CD1-CE1 3.7Å; L10-Y348 HydrophobicContact CD1-CE2 4.11Å; H344-Y348 WeakPolarHBondContact O-CB 3.21Å; H344-Y348 PolarHBondContact O-N 3.02Å; V345-Y348 PolarHBondContact O-N 3Å; L346-Y348 PolarHBondContact O-N 3.43Å; Y348-I362 HydrophobicContact CE1-CD1 3.74Å; Y348-Q367 PolarHBondContact OH-OE1 3.11Å; Y348-K369 VanDerWaalsContact CZ-CE 3.49Å; Y348-K369 PolarHBondContact O-NZ 2.81Å
349	F	86.4	Confident	86.6	Confident	9 Å²	9	48 Å²	48	4%	0.039	28%	0.284	C	S	.	.	H	α-helix	trans	-93.2	-1.2	179.4	-77	-70.4	0	0	0	114.6	L303 F305 V345 L346 N347 V351 R360 I362	L303-F349 HydrophobicContact CD1-CE1 3.89Å; L303-F349 HydrophobicContact CD1-CE2 4.18Å; L303-F349 HydrophobicContact CD1-CZ 3.54Å; L303-F349 HydrophobicContact CD2-CD2 4.1Å; L303-F349 HydrophobicContact CD2-CE2 3.43Å; L303-F349 VanDerWaalsContact CD2-CE2 3.43Å; L303-F349 HydrophobicContact CD2-CZ 3.69Å; L303-F349 HydrophobicContact CG-CE2 4.43Å; L303-F349 HydrophobicContact CG-CZ 4.26Å; F305-F349 HydrophobicContact CE1-CB 4.45Å; F305-F349 HydrophobicContact CE1-CD2 4.47Å; F305-F349 HydrophobicContact CE2-CB 4.41Å; F305-F349 HydrophobicContact CE2-CG 4.46Å; F305-F349 HydrophobicContact CZ-CB 3.75Å; F305-F349 AromaticContact CZ-CD2 3.78Å; F305-F349 HydrophobicContact CZ-CD2 3.78Å; F305-F349 AromaticContact CZ-CG 3.76Å; F305-F349 HydrophobicContact CZ-CG 3.76Å; V345-F349 HydrophobicContact CG1-CD2 4.06Å; V345-F349 HydrophobicContact CG1-CE2 4.2Å; V345-F349 VanDerWaalsContact O-CD2 3.32Å; V345-F349 WeakPolarHBondContact O-CD2 3.45Å; V345-F349 PolarHBondContact O-N 3.19Å; L346-F349 CarbonylContact O-C 3.57Å; L346-F349 PolarHBondContact O-N 2.72Å; N347-F349 PolarHBondContact O-N 2.79Å; N347-F349 VanDerWaalsContact O-N 3.14Å; F349-V351 VanDerWaalsContact C-N 3.3Å; F349-V351 HydrophobicContact CB-CG2 4.05Å; F349-V351 PolarHBondContact O-N 2.89Å; F349-R360 HydrophobicContact CB-CG 4.14Å; F349-R360 HydrophobicContact CD1-CB 3.69Å; F349-R360 HydrophobicContact CD1-CG 3.92Å; F349-R360 HydrophobicContact CE1-CB 4.17Å; F349-R360 HydrophobicContact CG-CB 4.44Å; F349-R360 HydrophobicContact CG-CG 4.35Å; F349-R360 PolarHBondContact O-NE 3.41Å; F349-I362 HydrophobicContact CE1-CB 4.04Å; F349-I362 HydrophobicContact CE1-CD1 4.2Å; F349-I362 HydrophobicContact CE1-CG2 4.18Å; F349-I362 HydrophobicContact CZ-CB 4.36Å; F349-I362 HydrophobicContact CZ-CD1 4.23Å; F349-I362 HydrophobicContact CZ-CG2 4.04Å
350	G	85.6	Confident	86.9	Confident	22 Å²	22	45.6 Å²	45.6	23%	0.227	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.8	43.7	-176.3	0	0	0	0	0	111.8	L346 N347	L346-G350 PolarHBondContact O-N 3.37Å; N347-G350 PolarHBondContact O-N 2.88Å
351	V	88.5	Confident	87.4	Confident	6 Å²	6	40.9 Å²	40.9	4%	0.036	25%	0.246	C	C	.	.			trans	-117.6	135.5	179.4	177	0	0	0	0	108.3	F305 L346 F349 D355 T358 R360	F305-V351 HydrophobicContact CB-CG1 4.06Å; F305-V351 HydrophobicContact CD1-CB 4.31Å; F305-V351 HydrophobicContact CD1-CG1 3.92Å; F305-V351 HydrophobicContact CD1-CG2 4.46Å; F305-V351 HydrophobicContact CD2-CG1 4.46Å; F305-V351 HydrophobicContact CD2-CG2 4.13Å; F305-V351 HydrophobicContact CE1-CB 4.42Å; F305-V351 HydrophobicContact CE1-CG2 4.42Å; F305-V351 HydrophobicContact CE2-CG2 4.1Å; F305-V351 HydrophobicContact CG-CB 4.49Å; F305-V351 HydrophobicContact CG-CG1 3.89Å; F305-V351 HydrophobicContact CG-CG2 4.32Å; F305-V351 HydrophobicContact CZ-CG2 4.24Å; L346-V351 CarbonylContact C-O 3.57Å; L346-V351 VanDerWaalsContact CB-O 3.31Å; L346-V351 WeakPolarHBondContact CB-O 3.47Å; L346-V351 HydrophobicContact CD2-CB 4.47Å; L346-V351 HydrophobicContact CD2-CG1 4.28Å; L346-V351 PolarHBondContact O-N 3.25Å; F349-V351 VanDerWaalsContact C-N 3.3Å; F349-V351 HydrophobicContact CB-CG2 4.05Å; F349-V351 PolarHBondContact O-N 2.89Å; V351-D355 HydrophobicContact CG1-CB 4.06Å; V351-T358 HydrophobicContact CG1-CG2 3.91Å; V351-T358 HydrophobicContact CG2-CG2 4.14Å; V351-R360 HydrophobicContact CG2-CG 4.18Å
352	S	88.9	Confident	88.3	Confident	44 Å²	44	36 Å²	36	31%	0.308	21%	0.206	S	C	.	.			trans	-107.9	168.8	169	69	0	0	0	0	110.8	S354 D355	S352-S354 PolarHBondContact O-N 2.87Å; S352-S354 PolarHBondContact OG-N 2.88Å; S352-S354 PolarHBondContact OG-OG 2.76Å; S352-D355 WeakPolarHBondContact CB-OD2 3.19Å; S352-D355 PolarHBondContact N-OD2 3.36Å; S352-D355 WeakPolarHBondContact O-CB 3.15Å; S352-D355 PolarHBondContact O-N 3.09Å; S352-D355 VanDerWaalsContact OG-CG 3.29Å; S352-D355 PolarHBondContact OG-N 2.79Å; S352-D355 PolarHBondContact OG-OD2 2.82Å
353	E	89.5	Confident	89.1	Confident	126 Å²	126	37.1 Å²	37.1	59%	0.589	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-56.9	-35.9	173.2	-69.3	179.9	-148.4	0	0	112.4	V338 D355 A356	V338-E353 HydrophobicContact CB-CG 4.21Å; V338-E353 HydrophobicContact CG2-CB 4.27Å; V338-E353 HydrophobicContact CG2-CG 4.18Å; E353-D355 PolarHBondContact O-N 3.21Å; E353-A356 PolarHBondContact O-N 2.74Å
354	S	89.9	Confident	89.4	Confident	101 Å²	101	34.6 Å²	34.6	71%	0.706	19%	0.191	S	C	*	.	G	3₁₀ helix	trans	-70.6	-14.4	177.8	41.2	0	0	0	0	114.4	S352	S352-S354 PolarHBondContact O-N 2.87Å; S352-S354 PolarHBondContact OG-N 2.88Å; S352-S354 PolarHBondContact OG-OG 2.76Å
355	D	90.9	Very high	89.8	Confident	41 Å²	41	34.6 Å²	34.6	22%	0.219	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-84.2	-13.3	177.1	-65	-55.3	0	0	0	113	V351 S352 E353 P357 T358 S374	V351-D355 HydrophobicContact CG1-CB 4.06Å; S352-D355 WeakPolarHBondContact CB-OD2 3.19Å; S352-D355 PolarHBondContact N-OD2 3.36Å; S352-D355 WeakPolarHBondContact O-CB 3.15Å; S352-D355 PolarHBondContact O-N 3.09Å; S352-D355 VanDerWaalsContact OG-CG 3.29Å; S352-D355 PolarHBondContact OG-N 2.79Å; S352-D355 PolarHBondContact OG-OD2 2.82Å; E353-D355 PolarHBondContact O-N 3.21Å; D355-P357 CarbonylContact O-C 3.58Å; D355-T358 HydrophobicContact CB-CG2 4.2Å; D355-T358 WeakPolarHBondContact O-CB 3.42Å; D355-T358 WeakPolarHBondContact O-CG2 3.23Å; D355-S374 WeakPolarHBondContact CA-OG 3.38Å; D355-S374 PolarHBondContact O-OG 2.73Å; D355-S374 PolarHBondContact OD1-OG 2.95Å
356	A	93.2	Very high	89.9	Confident	14 Å²	14	38.2 Å²	38.2	12%	0.116	21%	0.214	C	C	.	.			trans	-73.4	132.2	177.9	0	0	0	0	0	111.2	Q313 V338 E353	Q313-A356 PolarHBondContact NE2-O 2.78Å; V338-A356 HydrophobicContact CG1-CB 4.01Å; V338-A356 HydrophobicContact CG2-CB 3.95Å; E353-A356 PolarHBondContact O-N 2.74Å
357	P	95.5	Very high	89.7	Confident	32 Å²	32	39.9 Å²	39.9	21%	0.208	22%	0.221	C	C	.	.	S	Bend	cis	-88.3	134.7	8.2	34.9	-32.2	0	0	0	112.8	F305 Q313 L316 D355 L377	F305-P357 WeakPolarHBondContact O-CA 3.45Å; Q313-P357 HydrophobicContact CG-CB 4Å; Q313-P357 HydrophobicContact CG-CG 4.02Å; L316-P357 HydrophobicContact CD2-CB 3.91Å; L316-P357 HydrophobicContact CD2-CG 4.16Å; D355-P357 CarbonylContact O-C 3.58Å; P357-L377 HydrophobicContact CB-CD2 4.19Å
358	T	95.8	Very high	89.9	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	168.4	174.3	-170.4	0	0	0	0	110.9	F305 V351 D355 R360 I372	F305-T358 HydrophobicContact CB-CG2 4Å; F305-T358 HydrophobicContact CD2-CG2 4.24Å; F305-T358 HydrophobicContact CG-CG2 4.41Å; F305-T358 PolarHBondContact N-O 3.18Å; F305-T358 PolarHBondContact O-N 3.24Å; F305-T358 VanDerWaalsContact O-N 3.13Å; V351-T358 HydrophobicContact CG1-CG2 3.91Å; V351-T358 HydrophobicContact CG2-CG2 4.14Å; D355-T358 HydrophobicContact CB-CG2 4.2Å; D355-T358 WeakPolarHBondContact O-CB 3.42Å; D355-T358 WeakPolarHBondContact O-CG2 3.23Å; T358-R360 PolarHBondContact OG1-NH1 2.93Å; T358-I372 PolarHBondContact OG1-O 3.45Å
359	A	95.9	Very high	90.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	150.1	175.2	0	0	0	0	0	111.9	L303 I372 L377 L382	L303-A359 CarbonylContact O-C 3.56Å; L303-A359 WeakPolarHBondContact O-CA 3.38Å; A359-I372 HydrophobicContact CB-CD1 4.17Å; A359-I372 HydrophobicContact CB-CG1 4.43Å; A359-I372 PolarHBondContact O-N 2.69Å; A359-I372 VanDerWaalsContact O-N 3.11Å; A359-L377 HydrophobicContact CB-CD1 3.81Å; A359-L377 HydrophobicContact CB-CD2 4.48Å; A359-L382 HydrophobicContact CB-CD1 4.04Å
360	R	95.2	Very high	90.7	Very high	14 Å²	14	38.5 Å²	38.5	5%	0.053	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	140.5	168.2	-60.9	-71	-179.8	-89.7	0.2	109.2	S302 L303 F305 F349 V351 T358 F370 I372	S302-R360 CarbonylContact C-O 3.59Å; S302-R360 WeakPolarHBondContact CA-O 3.34Å; L303-R360 PolarHBondContact N-O 3.43Å; L303-R360 PolarHBondContact O-N 2.78Å; F305-R360 HydrophobicContact CD2-CG 4.44Å; F305-R360 HydrophobicContact CE2-CB 3.91Å; F305-R360 HydrophobicContact CE2-CG 3.7Å; F305-R360 HydrophobicContact CZ-CG 4.46Å; F349-R360 HydrophobicContact CB-CG 4.14Å; F349-R360 HydrophobicContact CD1-CB 3.69Å; F349-R360 HydrophobicContact CD1-CG 3.92Å; F349-R360 HydrophobicContact CE1-CB 4.17Å; F349-R360 HydrophobicContact CG-CB 4.44Å; F349-R360 HydrophobicContact CG-CG 4.35Å; F349-R360 PolarHBondContact O-NE 3.41Å; V351-R360 HydrophobicContact CG2-CG 4.18Å; T358-R360 PolarHBondContact OG1-NH1 2.93Å; R360-F370 CarbonylContact C-O 3.54Å; R360-F370 VanDerWaalsContact CA-O 3.22Å; R360-F370 WeakPolarHBondContact CA-O 3.42Å; R360-I372 PolarHBondContact NH1-O 3.41Å
361	I	96.8	Very high	91	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	136.7	168.5	-53.3	-177.3	0	0	0	107.7	H301 M331 K369 F370 L385 C386 V389	H301-I361 CarbonylContact O-C 3.58Å; H301-I361 VanDerWaalsContact O-CA 3.31Å; H301-I361 WeakPolarHBondContact O-CA 3.48Å; M331-I361 HydrophobicContact CE-CD1 4Å; M331-I361 HydrophobicContact CE-CG2 3.95Å; M331-I361 HydrophobicContact SD-CD1 3.95Å; M331-I361 HydrophobicContact SD-CG2 4.21Å; I361-K369 CarbonylContact O-C 3.56Å; I361-K369 VanDerWaalsContact O-CA 3.23Å; I361-K369 WeakPolarHBondContact O-CA 3.36Å; I361-F370 HydrophobicContact CB-CB 4.22Å; I361-F370 HydrophobicContact CB-CD2 4.15Å; I361-F370 HydrophobicContact CG2-CD2 4.32Å; I361-F370 PolarHBondContact N-O 3.37Å; I361-F370 PolarHBondContact O-N 2.95Å; I361-L385 HydrophobicContact CD1-CB 4.44Å; I361-L385 HydrophobicContact CD1-CD2 3.93Å; I361-L385 HydrophobicContact CD1-CG 3.79Å; I361-L385 HydrophobicContact CG1-CD2 4.09Å; I361-L385 HydrophobicContact CG1-CG 4.46Å; I361-C386 HydrophobicContact CD1-CB 4.46Å; I361-V389 HydrophobicContact CD1-CB 4.46Å; I361-V389 HydrophobicContact CD1-CG2 4.11Å; I361-V389 HydrophobicContact CG2-CG1 3.99Å; I361-V389 HydrophobicContact CG2-CG2 4.48Å
362	I	93.6	Very high	91.1	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.01	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	137.6	174.2	-173.3	165.3	0	0	0	110.7	L300 H301 L303 Y348 F349 M364 K368 K369	L300-I362 WeakPolarHBondContact CA-O 3.46Å; H301-I362 HydrophobicContact CB-CG2 3.97Å; H301-I362 PolarHBondContact N-O 3.48Å; H301-I362 PolarHBondContact O-N 3.08Å; L303-I362 HydrophobicContact CD1-CG2 3.79Å; Y348-I362 HydrophobicContact CE1-CD1 3.74Å; F349-I362 HydrophobicContact CE1-CB 4.04Å; F349-I362 HydrophobicContact CE1-CD1 4.2Å; F349-I362 HydrophobicContact CE1-CG2 4.18Å; F349-I362 HydrophobicContact CZ-CB 4.36Å; F349-I362 HydrophobicContact CZ-CD1 4.23Å; F349-I362 HydrophobicContact CZ-CG2 4.04Å; I362-M364 HydrophobicContact CG2-SD 3.95Å; I362-K368 WeakPolarHBondContact CA-O 3.31Å; I362-K369 HydrophobicContact CD1-CG 4.16Å; I362-K369 HydrophobicContact CG1-CG 4.23Å
363	H	93.1	Very high	90.9	Very high	47 Å²	47	41.6 Å²	41.6	22%	0.218	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	111.1	165.7	-170.7	-55.8	0	0	0	109.7	R299 L300 E365 T366 Q367 K368	R299-H363 CarbonylContact O-C 3.51Å; R299-H363 WeakPolarHBondContact O-CA 3.43Å; L300-H363 HydrophobicContact CD2-CB 3.89Å; H363-E365 VanDerWaalsContact C-N 3.25Å; H363-E365 PolarHBondContact ND1-N 3.34Å; H363-E365 PolarHBondContact O-N 2.88Å; H363-E365 VanDerWaalsContact O-N 3.13Å; H363-T366 VanDerWaalsContact CB-OG1 3.31Å; H363-T366 WeakPolarHBondContact CB-OG1 3.22Å; H363-T366 PolarHBondContact ND1-N 3.3Å; H363-T366 PolarHBondContact ND1-OG1 3.27Å; H363-T366 PolarHBondContact O-N 3.34Å; H363-Q367 VanDerWaalsContact O-CA 3.26Å; H363-Q367 WeakPolarHBondContact O-CA 3.5Å; H363-Q367 PolarHBondContact O-N 3.48Å; H363-K368 PolarHBondContact N-O 2.98Å
364	M	84.9	Confident	90.5	Very high	11 Å²	11	38.5 Å²	38.5	5%	0.054	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-25.5	-170.2	-65.1	-63.1	-72.1	0	0	114.6	L10 F294 R299 I362 Q367	L10-M364 HydrophobicContact CD2-CE 3.45Å; L10-M364 VanDerWaalsContact CD2-CE 3.45Å; L10-M364 HydrophobicContact CD2-SD 3.91Å; F294-M364 HydrophobicContact CD1-CE 3.63Å; F294-M364 HydrophobicContact CE1-CE 3.71Å; R299-M364 WeakPolarHBondContact O-CB 3.31Å; R299-M364 VanDerWaalsContact O-CG 3.26Å; R299-M364 WeakPolarHBondContact O-CG 3.47Å; R299-M364 PolarHBondContact O-N 2.91Å; I362-M364 HydrophobicContact CG2-SD 3.95Å; M364-Q367 PolarHBondContact O-NE2 3.38Å
365	E	85	Confident	90.2	Very high	100 Å²	100	36.9 Å²	36.9	47%	0.467	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-48.3	175.7	-55.9	-175.8	159	0	0	113.5	R299 H363 Q367	R299-E365 HydrophobicContact CG-CG 4.12Å; R299-E365 IonicContact CZ-OE1 2.58Å; R299-E365 VanDerWaalsContact CZ-OE1 3.23Å; R299-E365 IonicContact NE-OE1 2.79Å; R299-E365 PolarHBondContact NE-OE1 3.11Å; R299-E365 IonicContact NH2-OE1 2.73Å; R299-E365 PolarHBondContact NH2-OE1 3.27Å; H363-E365 VanDerWaalsContact C-N 3.25Å; H363-E365 PolarHBondContact ND1-N 3.34Å; H363-E365 PolarHBondContact O-N 2.88Å; H363-E365 VanDerWaalsContact O-N 3.13Å; E365-Q367 VanDerWaalsContact C-N 3.35Å
366	T	86.1	Confident	90.3	Very high	80 Å²	80	37.1 Å²	37.1	49%	0.491	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-11.2	-177.5	64.4	0	0	0	0	113.5	H363 K368	H363-T366 VanDerWaalsContact CB-OG1 3.31Å; H363-T366 WeakPolarHBondContact CB-OG1 3.22Å; H363-T366 PolarHBondContact ND1-N 3.3Å; H363-T366 PolarHBondContact ND1-OG1 3.27Å; H363-T366 PolarHBondContact O-N 3.34Å; T366-K368 PolarHBondContact O-N 3.24Å; T366-K368 PolarHBondContact OG1-N 2.88Å
367	Q	83	Confident	90.4	Very high	50 Å²	50	37.1 Å²	37.1	23%	0.234	22%	0.224	C	C	.	.			trans	59.2	9.1	-173.9	-59	-65.4	-40.2	0	0	114.5	L6 Y348 H363 M364 E365 K369	L6-Q367 HydrophobicContact CD2-CG 4.32Å; Y348-Q367 PolarHBondContact OH-OE1 3.11Å; H363-Q367 VanDerWaalsContact O-CA 3.26Å; H363-Q367 WeakPolarHBondContact O-CA 3.5Å; H363-Q367 PolarHBondContact O-N 3.48Å; M364-Q367 PolarHBondContact O-NE2 3.38Å; E365-Q367 VanDerWaalsContact C-N 3.35Å; Q367-K369 PolarHBondContact O-N 2.66Å
368	K	88	Confident	90.4	Very high	100 Å²	100	38.8 Å²	38.8	44%	0.435	23%	0.234	S	C	.	.			trans	-63.2	127.8	173.8	-71	-176.7	175.2	-172.6	0	109.5	I362 H363 T366 F370 P396	I362-K368 WeakPolarHBondContact CA-O 3.31Å; H363-K368 PolarHBondContact N-O 2.98Å; T366-K368 PolarHBondContact O-N 3.24Å; T366-K368 PolarHBondContact OG1-N 2.88Å; K368-F370 HydrophobicContact CB-CE2 4.16Å; K368-F370 HydrophobicContact CB-CZ 4.09Å; K368-P396 HydrophobicContact CD-CG 4.07Å; K368-P396 HydrophobicContact CG-CG 4.49Å
369	K	91.7	Very high	90.4	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.017	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	152.4	176.4	-63.9	166.2	-170.4	169.4	0	109	Y348 I361 I362 Q367 P396 Y397 E474	Y348-K369 VanDerWaalsContact CZ-CE 3.49Å; Y348-K369 PolarHBondContact O-NZ 2.81Å; I361-K369 CarbonylContact O-C 3.56Å; I361-K369 VanDerWaalsContact O-CA 3.23Å; I361-K369 WeakPolarHBondContact O-CA 3.36Å; I362-K369 HydrophobicContact CD1-CG 4.16Å; I362-K369 HydrophobicContact CG1-CG 4.23Å; Q367-K369 PolarHBondContact O-N 2.66Å; K369-P396 CarbonylContact O-C 3.51Å; K369-P396 VanDerWaalsContact O-CA 3.31Å; K369-P396 WeakPolarHBondContact O-CA 3.35Å; K369-Y397 HydrophobicContact CB-CD1 4.27Å; K369-Y397 PolarHBondContact O-N 3.04Å; K369-E474 IonicContact NZ-OE1 2.72Å; K369-E474 PolarHBondContact NZ-OE1 3.23Å; K369-E474 IonicContact NZ-OE2 2.71Å
370	F	93.9	Very high	90.5	Very high	15 Å²	15	46 Å²	46	7%	0.066	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	147.7	175.2	-49.6	-91.6	0	0	0	107.8	R360 I361 K368 L385 V389 A394 M395 P396	R360-F370 CarbonylContact C-O 3.54Å; R360-F370 VanDerWaalsContact CA-O 3.22Å; R360-F370 WeakPolarHBondContact CA-O 3.42Å; I361-F370 HydrophobicContact CB-CB 4.22Å; I361-F370 HydrophobicContact CB-CD2 4.15Å; I361-F370 HydrophobicContact CG2-CD2 4.32Å; I361-F370 PolarHBondContact N-O 3.37Å; I361-F370 PolarHBondContact O-N 2.95Å; K368-F370 HydrophobicContact CB-CE2 4.16Å; K368-F370 HydrophobicContact CB-CZ 4.09Å; F370-L385 HydrophobicContact CB-CD1 4.17Å; F370-L385 HydrophobicContact CB-CD2 4.38Å; F370-V389 HydrophobicContact CB-CG2 3.9Å; F370-V389 HydrophobicContact CD1-CG2 3.76Å; F370-V389 HydrophobicContact CD2-CB 4.48Å; F370-V389 HydrophobicContact CD2-CG1 3.97Å; F370-V389 HydrophobicContact CD2-CG2 3.58Å; F370-V389 HydrophobicContact CE1-CG2 4.15Å; F370-V389 HydrophobicContact CE2-CG1 3.75Å; F370-V389 HydrophobicContact CE2-CG2 4Å; F370-V389 HydrophobicContact CG-CG2 3.45Å; F370-V389 VanDerWaalsContact CG-CG2 3.45Å; F370-V389 HydrophobicContact CZ-CG1 4.23Å; F370-V389 HydrophobicContact CZ-CG2 4.26Å; F370-A394 HydrophobicContact CD1-CB 3.57Å; F370-A394 HydrophobicContact CE1-CB 3.72Å; F370-A394 WeakPolarHBondContact CE1-O 3.34Å; F370-A394 HydrophobicContact CG-CB 4.46Å; F370-M395 WeakPolarHBondContact CD1-O 3.46Å; F370-P396 HydrophobicContact CE1-CB 4.47Å; F370-P396 HydrophobicContact CE1-CG 4.22Å
371	S	92.4	Very high	90.6	Very high	39 Å²	39	46.8 Å²	46.8	27%	0.273	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	142.8	-169.6	63.7	0	0	0	0	112.8	Y397	S371-Y397 VanDerWaalsContact OG-CD2 3.28Å; S371-Y397 WeakPolarHBondContact OG-CD2 3.41Å
372	I	90.6	Very high	90.6	Very high	8 Å²	8	46.8 Å²	46.8	4%	0.041	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-93.5	130.5	158.1	-60.1	-173.4	0	0	0	107.7	T358 A359 R360 A376 L377 L382 L385	T358-I372 PolarHBondContact OG1-O 3.45Å; A359-I372 HydrophobicContact CB-CD1 4.17Å; A359-I372 HydrophobicContact CB-CG1 4.43Å; A359-I372 PolarHBondContact O-N 2.69Å; A359-I372 VanDerWaalsContact O-N 3.11Å; R360-I372 PolarHBondContact NH1-O 3.41Å; I372-A376 HydrophobicContact CG2-CB 4.06Å; I372-L377 HydrophobicContact CD1-CD1 3.56Å; I372-L377 HydrophobicContact CG2-CB 4.39Å; I372-L377 HydrophobicContact CG2-CD1 4.38Å; I372-L382 HydrophobicContact CD1-CB 4.34Å; I372-L382 HydrophobicContact CD1-CD1 4.3Å; I372-L385 HydrophobicContact CD1-CB 4.27Å; I372-L385 HydrophobicContact CD1-CD2 4.07Å; I372-L385 HydrophobicContact CG1-CB 4.32Å; I372-L385 HydrophobicContact CG1-CD2 3.47Å; I372-L385 VanDerWaalsContact CG1-CD2 3.47Å; I372-L385 HydrophobicContact CG1-CG 4.49Å
373	P	84	Confident	90.8	Very high	89 Å²	89	51.2 Å²	51.2	58%	0.578	30%	0.3	S	S	*	.	P	Polyproline II helix	trans	-53.8	146.8	174.5	-26.2	34.9	0	0	0	112.2	G375 A376	P373-G375 PolarHBondContact O-N 3.34Å; P373-A376 HydrophobicContact CB-CB 4.14Å; P373-A376 WeakPolarHBondContact O-CB 3.42Å; P373-A376 PolarHBondContact O-N 3.41Å; P373-A376 VanDerWaalsContact O-N 3.09Å
374	S	80.4	Confident	91	Very high	62 Å²	62	53.1 Å²	53.1	43%	0.434	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	135	175.9	-179.4	0	0	0	0	110.8	D355 A376	D355-S374 WeakPolarHBondContact CA-OG 3.38Å; D355-S374 PolarHBondContact O-OG 2.73Å; D355-S374 PolarHBondContact OD1-OG 2.95Å; S374-A376 PolarHBondContact O-N 3.24Å
375	G	85.1	Confident	91.6	Very high	67 Å²	67	53.6 Å²	53.6	69%	0.691	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	75	-2.6	-177.3	0	0	0	0	0	116	P373	P373-G375 PolarHBondContact O-N 3.34Å
376	A	91.6	Very high	92.2	Very high	45 Å²	45	48.8 Å²	48.8	37%	0.372	29%	0.291	S	S	.	.			trans	-96.3	-2.1	178.4	0	0	0	0	0	113.9	I372 P373 S374 T378 S381	I372-A376 HydrophobicContact CG2-CB 4.06Å; P373-A376 HydrophobicContact CB-CB 4.14Å; P373-A376 WeakPolarHBondContact O-CB 3.42Å; P373-A376 PolarHBondContact O-N 3.41Å; P373-A376 VanDerWaalsContact O-N 3.09Å; S374-A376 PolarHBondContact O-N 3.24Å; A376-T378 PolarHBondContact O-N 3.04Å; A376-S381 PolarHBondContact O-OG 3.1Å
377	L	95.6	Very high	92.8	Very high	14 Å²	14	47.5 Å²	47.5	7%	0.073	28%	0.28	C	S	.	.			trans	-70.1	114.6	-175.3	-173	67.8	0	0	0	112	L316 P357 A359 I372 L382	L316-L377 HydrophobicContact CD2-CB 4.27Å; L316-L377 HydrophobicContact CD2-CD2 3.65Å; L316-L377 HydrophobicContact CD2-CG 3.82Å; L316-L377 HydrophobicContact CG-CD2 4.46Å; P357-L377 HydrophobicContact CB-CD2 4.19Å; A359-L377 HydrophobicContact CB-CD1 3.81Å; A359-L377 HydrophobicContact CB-CD2 4.48Å; I372-L377 HydrophobicContact CD1-CD1 3.56Å; I372-L377 HydrophobicContact CG2-CB 4.39Å; I372-L377 HydrophobicContact CG2-CD1 4.38Å; L377-L382 HydrophobicContact CD1-CB 4.16Å; L377-L382 HydrophobicContact CD1-CD1 4.46Å
378	T	96.5	Very high	93.5	Very high	68 Å²	68	48.3 Å²	48.3	42%	0.417	28%	0.284	S	S	.	.			trans	-131.3	164.5	166.6	69.5	0	0	0	0	109.8	A376 D380 S381 L382	A376-T378 PolarHBondContact O-N 3.04Å; T378-D380 VanDerWaalsContact C-N 3.27Å; T378-D380 PolarHBondContact O-N 3.05Å; T378-S381 PolarHBondContact N-OG 3Å; T378-S381 PolarHBondContact O-N 3.4Å; T378-S381 PolarHBondContact O-OG 3.05Å; T378-S381 PolarHBondContact OG1-N 3.27Å; T378-S381 VanDerWaalsContact OG1-N 3.08Å; T378-S381 PolarHBondContact OG1-OG 3.31Å; T378-L382 WeakPolarHBondContact O-CB 3.4Å; T378-L382 PolarHBondContact O-N 3.44Å
379	A	95.7	Very high	93.9	Very high	20 Å²	20	44.1 Å²	44.1	17%	0.165	27%	0.266	C	S	.	.	H	α-helix	trans	-55.3	-42.4	173.6	0	0	0	0	0	112.2	Q319 V323 L382 W383	Q319-A379 HydrophobicContact CB-CB 4.24Å; V323-A379 HydrophobicContact CG2-CB 4.22Å; V323-A379 WeakPolarHBondContact CG2-O 3.41Å; A379-L382 PolarHBondContact O-N 2.96Å; A379-W383 WeakPolarHBondContact O-CB 3.48Å; A379-W383 PolarHBondContact O-N 3.29Å
380	D	96.9	Very high	94.1	Very high	132 Å²	132	46.2 Å²	46.2	71%	0.706	28%	0.279	S	S	*	.	H	α-helix	trans	-64.9	-44.1	178.1	-64.7	-19	0	0	0	112.2	T378 L382 W383 L384	T378-D380 VanDerWaalsContact C-N 3.27Å; T378-D380 PolarHBondContact O-N 3.05Å; D380-L382 VanDerWaalsContact C-N 3.31Å; D380-L382 PolarHBondContact O-N 3.08Å; D380-W383 PolarHBondContact O-N 2.83Å; D380-L384 WeakPolarHBondContact O-CB 3.38Å; D380-L384 PolarHBondContact O-N 3.35Å
381	S	97.2	Very high	94.2	Very high	29 Å²	29	50 Å²	50	20%	0.203	30%	0.3	C	S	.	.	H	α-helix	trans	-66	-35.4	177.8	71	0	0	0	0	112.1	A376 T378 L385	A376-S381 PolarHBondContact O-OG 3.1Å; T378-S381 PolarHBondContact N-OG 3Å; T378-S381 PolarHBondContact O-N 3.4Å; T378-S381 PolarHBondContact O-OG 3.05Å; T378-S381 PolarHBondContact OG1-N 3.27Å; T378-S381 VanDerWaalsContact OG1-N 3.08Å; T378-S381 PolarHBondContact OG1-OG 3.31Å; S381-L385 PolarHBondContact O-N 3.35Å; S381-L385 VanDerWaalsContact O-N 3.08Å
382	L	97.8	Very high	94.2	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	32%	0.319	C	S	.	.	H	α-helix	trans	-66.9	-47.9	175.8	-179.5	63	0	0	0	110.4	L304 A320 V323 F333 A359 I372 L377 T378 A379 D380 L384 L385 C386	L304-L382 HydrophobicContact CD1-CD2 4.41Å; L304-L382 HydrophobicContact CD2-CD2 4.11Å; A320-L382 HydrophobicContact CB-CD2 3.7Å; V323-L382 HydrophobicContact CB-CD2 4.48Å; V323-L382 HydrophobicContact CG1-CD2 4.4Å; V323-L382 HydrophobicContact CG1-CG 4.2Å; F333-L382 HydrophobicContact CE1-CD2 4.24Å; F333-L382 HydrophobicContact CE1-CG 4.42Å; A359-L382 HydrophobicContact CB-CD1 4.04Å; I372-L382 HydrophobicContact CD1-CB 4.34Å; I372-L382 HydrophobicContact CD1-CD1 4.3Å; L377-L382 HydrophobicContact CD1-CB 4.16Å; L377-L382 HydrophobicContact CD1-CD1 4.46Å; T378-L382 WeakPolarHBondContact O-CB 3.4Å; T378-L382 PolarHBondContact O-N 3.44Å; A379-L382 PolarHBondContact O-N 2.96Å; D380-L382 VanDerWaalsContact C-N 3.31Å; D380-L382 PolarHBondContact O-N 3.08Å; L382-L384 VanDerWaalsContact C-N 3.35Å; L382-L384 PolarHBondContact O-N 3.36Å; L382-L385 PolarHBondContact O-N 3.01Å; L382-C386 WeakPolarHBondContact O-CB 3.39Å; L382-C386 PolarHBondContact O-N 2.81Å; L382-C386 PolarHBondContact O-SG 2.84Å
383	W	97.9	Very high	94.3	Very high	94 Å²	94	56.5 Å²	56.5	36%	0.356	35%	0.347	S	S	.	.	H	α-helix	trans	-57.9	-47.8	176.5	-176.4	96	0	0	0	111.4	V323 E326 F327 A379 D380 L385 C386 Q387	V323-W383 HydrophobicContact CG1-CB 3.87Å; V323-W383 HydrophobicContact CG1-CG 4.38Å; V323-W383 HydrophobicContact CG2-CB 4.06Å; E326-W383 PolarHBondContact OE2-NE1 2.86Å; F327-W383 AromaticContact CE2-CD1 3.73Å; F327-W383 HydrophobicContact CE2-CG 4.27Å; F327-W383 AromaticContact CE2-NE1 3.96Å; A379-W383 WeakPolarHBondContact O-CB 3.48Å; A379-W383 PolarHBondContact O-N 3.29Å; D380-W383 PolarHBondContact O-N 2.83Å; W383-L385 PolarHBondContact O-N 3.19Å; W383-C386 PolarHBondContact O-N 3Å; W383-Q387 HydrophobicContact CE3-CB 4.49Å; W383-Q387 HydrophobicContact CH2-CB 4.33Å; W383-Q387 HydrophobicContact CH2-CG 4.12Å; W383-Q387 HydrophobicContact CZ3-CB 4.27Å; W383-Q387 HydrophobicContact CZ3-CG 4.42Å; W383-Q387 WeakPolarHBondContact O-CB 3.4Å; W383-Q387 PolarHBondContact O-N 2.98Å
384	L	97.5	Very high	94.7	Very high	88 Å²	88	52.8 Å²	52.8	46%	0.461	32%	0.323	S	S	.	.	H	α-helix	trans	-59.1	-49.7	179.9	-179.7	63.6	0	0	0	111.3	D380 L382 C386 Q387 E388	D380-L384 WeakPolarHBondContact O-CB 3.38Å; D380-L384 PolarHBondContact O-N 3.35Å; L382-L384 VanDerWaalsContact C-N 3.35Å; L382-L384 PolarHBondContact O-N 3.36Å; L384-C386 VanDerWaalsContact C-N 3.33Å; L384-C386 PolarHBondContact O-N 3.23Å; L384-Q387 PolarHBondContact O-N 3.04Å; L384-E388 HydrophobicContact CD1-CG 4.33Å; L384-E388 WeakPolarHBondContact O-CG 3.44Å; L384-E388 PolarHBondContact O-N 3.03Å
385	L	97.1	Very high	94.9	Very high	20 Å²	20	58.1 Å²	58.1	11%	0.105	34%	0.343	C	S	.	.	H	α-helix	trans	-62.8	-41.4	178.4	-176	65.1	0	0	0	111.6	I361 F370 I372 S381 L382 W383 Q387 E388 V389 A394	I361-L385 HydrophobicContact CD1-CB 4.44Å; I361-L385 HydrophobicContact CD1-CD2 3.93Å; I361-L385 HydrophobicContact CD1-CG 3.79Å; I361-L385 HydrophobicContact CG1-CD2 4.09Å; I361-L385 HydrophobicContact CG1-CG 4.46Å; F370-L385 HydrophobicContact CB-CD1 4.17Å; F370-L385 HydrophobicContact CB-CD2 4.38Å; I372-L385 HydrophobicContact CD1-CB 4.27Å; I372-L385 HydrophobicContact CD1-CD2 4.07Å; I372-L385 HydrophobicContact CG1-CB 4.32Å; I372-L385 HydrophobicContact CG1-CD2 3.47Å; I372-L385 VanDerWaalsContact CG1-CD2 3.47Å; I372-L385 HydrophobicContact CG1-CG 4.49Å; S381-L385 PolarHBondContact O-N 3.35Å; S381-L385 VanDerWaalsContact O-N 3.08Å; L382-L385 PolarHBondContact O-N 3.01Å; W383-L385 PolarHBondContact O-N 3.19Å; L385-Q387 VanDerWaalsContact C-N 3.3Å; L385-Q387 PolarHBondContact O-N 2.99Å; L385-E388 PolarHBondContact O-N 2.89Å; L385-V389 HydrophobicContact CD1-CG2 4.19Å; L385-V389 HydrophobicContact CG-CG2 4.34Å; L385-V389 WeakPolarHBondContact O-CB 3.48Å; L385-V389 VanDerWaalsContact O-CG2 3.27Å; L385-V389 WeakPolarHBondContact O-CG2 3.46Å; L385-V389 PolarHBondContact O-N 3.05Å; L385-A394 HydrophobicContact CD1-CB 4.47Å
386	C	97.9	Very high	94.9	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-59.4	-44	176.7	-67.9	0	0	0	0	111.2	F327 M331 I361 L382 W383 L384 V389 V390	F327-C386 HydrophobicContact CD1-CB 4.15Å; F327-C386 HydrophobicContact CD2-CB 3.89Å; F327-C386 HydrophobicContact CE1-CB 3.77Å; F327-C386 HydrophobicContact CE2-CB 3.52Å; F327-C386 HydrophobicContact CG-CB 4.22Å; F327-C386 HydrophobicContact CZ-CB 3.46Å; F327-C386 VanDerWaalsContact CZ-CB 3.46Å; M331-C386 HydrophobicContact CE-CB 4.19Å; M331-C386 HydrophobicContact SD-CB 4.12Å; M331-C386 VanDerWaalsContact SD-SG 3.6Å; I361-C386 HydrophobicContact CD1-CB 4.46Å; L382-C386 WeakPolarHBondContact O-CB 3.39Å; L382-C386 PolarHBondContact O-N 2.81Å; L382-C386 PolarHBondContact O-SG 2.84Å; W383-C386 PolarHBondContact O-N 3Å; L384-C386 VanDerWaalsContact C-N 3.33Å; L384-C386 PolarHBondContact O-N 3.23Å; C386-V389 PolarHBondContact O-N 2.87Å; C386-V390 WeakPolarHBondContact O-CB 3.42Å; C386-V390 VanDerWaalsContact O-CG2 3.29Å; C386-V390 WeakPolarHBondContact O-CG2 3.49Å; C386-V390 PolarHBondContact O-N 2.79Å
387	Q	97.9	Very high	94.5	Very high	53 Å²	53	56.8 Å²	56.8	25%	0.248	31%	0.312	C	S	.	.	H	α-helix	trans	-63.7	-49.4	178.1	-171.8	58.6	44.5	0	0	111.4	F327 W383 L384 L385 V389 V390 D391	F327-Q387 HydrophobicContact CZ-CB 4.1Å; W383-Q387 HydrophobicContact CE3-CB 4.49Å; W383-Q387 HydrophobicContact CH2-CB 4.33Å; W383-Q387 HydrophobicContact CH2-CG 4.12Å; W383-Q387 HydrophobicContact CZ3-CB 4.27Å; W383-Q387 HydrophobicContact CZ3-CG 4.42Å; W383-Q387 WeakPolarHBondContact O-CB 3.4Å; W383-Q387 PolarHBondContact O-N 2.98Å; L384-Q387 PolarHBondContact O-N 3.04Å; L385-Q387 VanDerWaalsContact C-N 3.3Å; L385-Q387 PolarHBondContact O-N 2.99Å; Q387-V389 VanDerWaalsContact C-N 3.3Å; Q387-V389 PolarHBondContact O-N 3.32Å; Q387-V390 PolarHBondContact O-N 2.82Å; Q387-D391 PolarHBondContact NE2-OD1 3.32Å; Q387-D391 PolarHBondContact NE2-OD2 3.08Å; Q387-D391 WeakPolarHBondContact O-CB 3.09Å; Q387-D391 VanDerWaalsContact O-CG 3.28Å; Q387-D391 PolarHBondContact O-N 2.82Å
388	E	97.2	Very high	93.8	Very high	67 Å²	67	59.4 Å²	59.4	31%	0.313	32%	0.322	S	S	.	.	H	α-helix	trans	-61.4	-36.6	179.4	-70.8	-179.7	164.8	0	0	112.9	L384 L385 G392 I393 A394	L384-E388 HydrophobicContact CD1-CG 4.33Å; L384-E388 WeakPolarHBondContact O-CG 3.44Å; L384-E388 PolarHBondContact O-N 3.03Å; L385-E388 PolarHBondContact O-N 2.89Å; E388-G392 PolarHBondContact O-N 2.88Å; E388-G392 VanDerWaalsContact O-N 3.12Å; E388-I393 HydrophobicContact CB-CD1 4.42Å; E388-I393 HydrophobicContact CB-CG1 3.9Å; E388-I393 HydrophobicContact CG-CD1 4.09Å; E388-I393 HydrophobicContact CG-CG1 4.11Å; E388-I393 WeakPolarHBondContact O-CG1 3.35Å; E388-I393 PolarHBondContact O-N 2.82Å; E388-A394 HydrophobicContact CB-CB 3.84Å; E388-A394 PolarHBondContact O-N 3.08Å
389	V	96.6	Very high	93.1	Very high	11 Å²	11	58.4 Å²	58.4	7%	0.067	31%	0.31	C	S	.	.	H	α-helix	trans	-70.4	-43.8	176.8	172	0	0	0	0	111.2	L300 M331 I361 F370 L385 C386 Q387 D391 G392 A394	L300-V389 HydrophobicContact CD1-CG1 4.2Å; L300-V389 HydrophobicContact CD2-CG1 3.67Å; M331-V389 HydrophobicContact CE-CB 4.49Å; M331-V389 HydrophobicContact CE-CG1 4.34Å; I361-V389 HydrophobicContact CD1-CB 4.46Å; I361-V389 HydrophobicContact CD1-CG2 4.11Å; I361-V389 HydrophobicContact CG2-CG1 3.99Å; I361-V389 HydrophobicContact CG2-CG2 4.48Å; F370-V389 HydrophobicContact CB-CG2 3.9Å; F370-V389 HydrophobicContact CD1-CG2 3.76Å; F370-V389 HydrophobicContact CD2-CB 4.48Å; F370-V389 HydrophobicContact CD2-CG1 3.97Å; F370-V389 HydrophobicContact CD2-CG2 3.58Å; F370-V389 HydrophobicContact CE1-CG2 4.15Å; F370-V389 HydrophobicContact CE2-CG1 3.75Å; F370-V389 HydrophobicContact CE2-CG2 4Å; F370-V389 HydrophobicContact CG-CG2 3.45Å; F370-V389 VanDerWaalsContact CG-CG2 3.45Å; F370-V389 HydrophobicContact CZ-CG1 4.23Å; F370-V389 HydrophobicContact CZ-CG2 4.26Å; L385-V389 HydrophobicContact CD1-CG2 4.19Å; L385-V389 HydrophobicContact CG-CG2 4.34Å; L385-V389 WeakPolarHBondContact O-CB 3.48Å; L385-V389 VanDerWaalsContact O-CG2 3.27Å; L385-V389 WeakPolarHBondContact O-CG2 3.46Å; L385-V389 PolarHBondContact O-N 3.05Å; C386-V389 PolarHBondContact O-N 2.87Å; Q387-V389 VanDerWaalsContact C-N 3.3Å; Q387-V389 PolarHBondContact O-N 3.32Å; V389-D391 VanDerWaalsContact C-N 3.3Å; V389-D391 PolarHBondContact O-N 2.83Å; V389-G392 PolarHBondContact O-N 3.01Å; V389-G392 VanDerWaalsContact O-N 3.14Å; V389-A394 HydrophobicContact CB-CB 4.35Å; V389-A394 HydrophobicContact CG2-CB 3.53Å
390	V	96.3	Very high	92.7	Very high	48 Å²	48	58.7 Å²	58.7	29%	0.291	31%	0.311	S	S	.	.	H	α-helix	trans	-63.2	-38.5	176.7	167.4	0	0	0	0	111.3	L300 F327 K330 M331 C386 Q387 G392	L300-V390 HydrophobicContact CD1-CG2 4.02Å; F327-V390 HydrophobicContact CD1-CG2 4.05Å; F327-V390 HydrophobicContact CE1-CG2 4.12Å; K330-V390 HydrophobicContact CD-CG1 4.4Å; M331-V390 HydrophobicContact CE-CG2 3.98Å; C386-V390 WeakPolarHBondContact O-CB 3.42Å; C386-V390 VanDerWaalsContact O-CG2 3.29Å; C386-V390 WeakPolarHBondContact O-CG2 3.49Å; C386-V390 PolarHBondContact O-N 2.79Å; Q387-V390 PolarHBondContact O-N 2.82Å; V390-G392 PolarHBondContact O-N 3.12Å
391	D	95.5	Very high	92.3	Very high	94 Å²	94	56.7 Å²	56.7	50%	0.503	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-8.2	177.2	-67.4	-17.9	0	0	0	113	Q387 V389 I393	Q387-D391 PolarHBondContact NE2-OD1 3.32Å; Q387-D391 PolarHBondContact NE2-OD2 3.08Å; Q387-D391 WeakPolarHBondContact O-CB 3.09Å; Q387-D391 VanDerWaalsContact O-CG 3.28Å; Q387-D391 PolarHBondContact O-N 2.82Å; V389-D391 VanDerWaalsContact C-N 3.3Å; V389-D391 PolarHBondContact O-N 2.83Å; D391-I393 VanDerWaalsContact C-N 3.32Å; D391-I393 HydrophobicContact CB-CG1 4.21Å; D391-I393 PolarHBondContact O-N 3.25Å
392	G	93.1	Very high	91.9	Very high	66 Å²	66	61.9 Å²	61.9	68%	0.68	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.3	17.9	178.1	0	0	0	0	0	114.8	E388 V389 V390	E388-G392 PolarHBondContact O-N 2.88Å; E388-G392 VanDerWaalsContact O-N 3.12Å; V389-G392 PolarHBondContact O-N 3.01Å; V389-G392 VanDerWaalsContact O-N 3.14Å; V390-G392 PolarHBondContact O-N 3.12Å
393	I	92.9	Very high	91.6	Very high	119 Å²	119	65.2 Å²	65.2	61%	0.61	34%	0.336	S	S	*	.			trans	-103.2	-14.1	-177.6	63.1	172.2	0	0	0	113.5	E388 D391	E388-I393 HydrophobicContact CB-CD1 4.42Å; E388-I393 HydrophobicContact CB-CG1 3.9Å; E388-I393 HydrophobicContact CG-CD1 4.09Å; E388-I393 HydrophobicContact CG-CG1 4.11Å; E388-I393 WeakPolarHBondContact O-CG1 3.35Å; E388-I393 PolarHBondContact O-N 2.82Å; D391-I393 VanDerWaalsContact C-N 3.32Å; D391-I393 HydrophobicContact CB-CG1 4.21Å; D391-I393 PolarHBondContact O-N 3.25Å
394	A	91.3	Very high	91.4	Very high	11 Å²	11	63.3 Å²	63.3	9%	0.091	34%	0.335	C	S	.	.	S	Bend	trans	-61.4	137.3	176.4	0	0	0	0	0	111.4	F370 L385 E388 V389	F370-A394 HydrophobicContact CD1-CB 3.57Å; F370-A394 HydrophobicContact CE1-CB 3.72Å; F370-A394 WeakPolarHBondContact CE1-O 3.34Å; F370-A394 HydrophobicContact CG-CB 4.46Å; L385-A394 HydrophobicContact CD1-CB 4.47Å; E388-A394 HydrophobicContact CB-CB 3.84Å; E388-A394 PolarHBondContact O-N 3.08Å; V389-A394 HydrophobicContact CB-CB 4.35Å; V389-A394 HydrophobicContact CG2-CB 3.53Å
395	M	84.7	Confident	91.1	Very high	173 Å²	173	67.6 Å²	67.6	85%	0.852	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-77.8	129.7	172.3	-75	-173.2	-107.5	0	0	110.4	F370	F370-M395 WeakPolarHBondContact CD1-O 3.46Å
396	P	85.1	Confident	90.9	Very high	31 Å²	31	71.2 Å²	71.2	20%	0.201	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-61.3	139.2	176.1	-22.5	33.5	0	0	0	112.3	K368 K369 F370 Y398	K368-P396 HydrophobicContact CD-CG 4.07Å; K368-P396 HydrophobicContact CG-CG 4.49Å; K369-P396 CarbonylContact O-C 3.51Å; K369-P396 VanDerWaalsContact O-CA 3.31Å; K369-P396 WeakPolarHBondContact O-CA 3.35Å; F370-P396 HydrophobicContact CE1-CB 4.47Å; F370-P396 HydrophobicContact CE1-CG 4.22Å; P396-Y398 HydrophobicContact CB-CE1 4.47Å; P396-Y398 HydrophobicContact CB-CE2 3.93Å
397	Y	83	Confident	90.7	Very high	53 Å²	53	74.2 Å²	74.2	21%	0.208	38%	0.381	C	S	.	.	B	Isolated β-bridge	trans	-83.1	132.3	165.4	168.5	-98.6	0	0	0	109.4	K369 S371 R399	K369-Y397 HydrophobicContact CB-CD1 4.27Å; K369-Y397 PolarHBondContact O-N 3.04Å; S371-Y397 VanDerWaalsContact OG-CD2 3.28Å; S371-Y397 WeakPolarHBondContact OG-CD2 3.41Å; Y397-R399 HydrophobicContact CE1-CB 4.28Å
398	Y	82.2	Confident	90.6	Very high	70 Å²	70	75.6 Å²	75.6	28%	0.275	39%	0.39	S	S	.	.			trans	-115.3	127.2	171.4	-60.4	-77.2	0	0	0	108.5	P396 E474 E476	P396-Y398 HydrophobicContact CB-CE1 4.47Å; P396-Y398 HydrophobicContact CB-CE2 3.93Å; Y398-E474 HydrophobicContact CD1-CB 4.14Å; Y398-E476 HydrophobicContact CD2-CB 4.35Å; Y398-E476 VanDerWaalsContact CE1-CA 3.46Å; Y398-E476 HydrophobicContact CE1-CB 4.03Å; Y398-E476 HydrophobicContact CE2-CB 3.6Å; Y398-E476 HydrophobicContact CE2-CG 4.15Å; Y398-E476 VanDerWaalsContact CZ-CA 3.41Å; Y398-E476 VanDerWaalsContact CZ-CB 3.42Å; Y398-E476 WeakPolarHBondContact OH-CB 3.45Å; Y398-E476 WeakPolarHBondContact OH-CG 3.14Å; Y398-E476 PolarHBondContact OH-OE1 3.33Å; Y398-E476 VanDerWaalsContact OH-OE1 3.09Å
399	R	82.3	Confident	90.4	Very high	46 Å²	46	78.7 Å²	78.7	17%	0.174	40%	0.402	C	S	.	.			trans	-60.3	139	178	-167.7	-175.4	171.8	-167.3	-2.1	110.4	N347 Y397 T471 A472 N473 E474	N347-R399 PolarHBondContact O-NE 3.47Å; N347-R399 PolarHBondContact O-NH1 3.33Å; Y397-R399 HydrophobicContact CE1-CB 4.28Å; R399-T471 PolarHBondContact NH1-O 3.27Å; R399-A472 VanDerWaalsContact CD-O 3.28Å; R399-A472 WeakPolarHBondContact CD-O 3.3Å; R399-A472 VanDerWaalsContact CG-O 3.28Å; R399-A472 WeakPolarHBondContact CG-O 3.43Å; R399-A472 PolarHBondContact NE-O 2.8Å; R399-N473 CarbonylContact O-C 3.6Å; R399-N473 WeakPolarHBondContact O-CA 3.35Å; R399-E474 HydrophobicContact CB-CB 4.47Å; R399-E474 HydrophobicContact CB-CG 4.09Å; R399-E474 WeakPolarHBondContact CB-OE2 3.43Å; R399-E474 PolarHBondContact N-OE2 2.71Å; R399-E474 PolarHBondContact O-N 2.86Å
400	S	87	Confident	90.3	Very high	26 Å²	26	84.9 Å²	84.9	18%	0.182	43%	0.43	C	S	.	.			trans	-150.2	140.4	169.4	-179.1	0	0	0	0	110.2	G417 K418 N473	S400-G417 VanDerWaalsContact OG-CA 3.29Å; S400-G417 WeakPolarHBondContact OG-CA 3.49Å; S400-G417 PolarHBondContact OG-N 2.91Å; S400-K418 WeakPolarHBondContact OG-CG 3.45Å; S400-K418 PolarHBondContact OG-N 3.46Å; S400-N473 VanDerWaalsContact CA-OD1 3.32Å; S400-N473 WeakPolarHBondContact CA-OD1 3.37Å; S400-N473 PolarHBondContact OG-OD1 3.19Å
401	E	87.5	Confident	90.3	Very high	90 Å²	90	84.9 Å²	84.9	42%	0.421	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-68	166.7	163.5	-65.1	176.1	110.6	0	0	110.7	V416 A472 N473	E401-V416 HydrophobicContact CB-CB 4.35Å; E401-V416 HydrophobicContact CB-CG1 3.81Å; E401-A472 HydrophobicContact CG-CB 3.84Å; E401-N473 PolarHBondContact N-OD1 3.06Å; E401-N473 PolarHBondContact OE2-ND2 2.76Å
402	E	88.4	Confident	90.4	Very high	138 Å²	138	80.7 Å²	80.7	65%	0.645	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-67.2	147.9	166.8	-67.5	-56	149	0	0	110.1	P404 K418	E402-P404 WeakPolarHBondContact O-CD 3.34Å; E402-K418 IonicContact OE1-NZ 2.96Å; E402-K418 PolarHBondContact OE1-NZ 2.91Å; E402-K418 IonicContact OE2-NZ 2.62Å; E402-K418 PolarHBondContact OE2-NZ 3.33Å
403	I	92.9	Very high	90.7	Very high	72 Å²	72	80.2 Å²	80.2	37%	0.369	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-66.2	118.1	175.4	-58.1	168.9	0	0	0	107.2	W407 V416 K418 N419	I403-W407 HydrophobicContact CG2-CB 4.1Å; I403-W407 HydrophobicContact CG2-CD2 4.36Å; I403-W407 HydrophobicContact CG2-CG 3.69Å; I403-V416 HydrophobicContact CB-CG2 4.33Å; I403-V416 HydrophobicContact CG1-CG2 3.7Å; I403-K418 HydrophobicContact CD1-CB 4.1Å; I403-K418 HydrophobicContact CG1-CB 3.94Å; I403-N419 HydrophobicContact CD1-CB 3.86Å; I403-N419 HydrophobicContact CG1-CB 4.06Å
404	P	92	Very high	90.9	Very high	53 Å²	53	76.5 Å²	76.5	34%	0.344	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-58.5	142.5	176.6	-23.3	34.3	0	0	0	110.5	E402 E406 W407 V414	E402-P404 WeakPolarHBondContact O-CD 3.34Å; P404-E406 PolarHBondContact O-N 2.85Å; P404-E406 VanDerWaalsContact O-N 3.12Å; P404-W407 HydrophobicContact CB-CB 4.26Å; P404-W407 HydrophobicContact CG-CB 4.48Å; P404-W407 VanDerWaalsContact O-CB 3.3Å; P404-W407 WeakPolarHBondContact O-CB 3.32Å; P404-W407 PolarHBondContact O-N 2.97Å; P404-W407 VanDerWaalsContact O-N 3.16Å; P404-V414 HydrophobicContact CG-CG1 4.16Å
405	E	92.1	Very high	91.2	Very high	178 Å²	178	76 Å²	76	83%	0.832	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-32.7	178.2	-67.9	-173.3	169.1	0	0	111.9
406	E	92.6	Very high	91.7	Very high	97 Å²	97	67.9 Å²	67.9	45%	0.453	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	22.3	-175.4	-42.9	-60.2	-143.2	0	0	113.6	P404 D408 K409	P404-E406 PolarHBondContact O-N 2.85Å; P404-E406 VanDerWaalsContact O-N 3.12Å; E406-D408 PolarHBondContact O-N 3.14Å; E406-D408 VanDerWaalsContact O-N 3.08Å; E406-K409 HydrophobicContact CB-CB 4.27Å; E406-K409 HydrophobicContact CB-CD 4.07Å; E406-K409 HydrophobicContact CB-CG 4.17Å; E406-K409 VanDerWaalsContact CD-CD 3.45Å; E406-K409 VanDerWaalsContact CD-CE 3.46Å; E406-K409 HydrophobicContact CG-CD 4.25Å; E406-K409 PolarHBondContact O-N 3.19Å; E406-K409 IonicContact OE1-NZ 2.65Å; E406-K409 PolarHBondContact OE1-NZ 3.39Å; E406-K409 WeakPolarHBondContact OE2-CD 3.36Å; E406-K409 WeakPolarHBondContact OE2-CE 3.36Å; E406-K409 IonicContact OE2-NZ 2.88Å; E406-K409 PolarHBondContact OE2-NZ 3.28Å
407	W	95	Very high	91.9	Very high	62 Å²	62	67.4 Å²	67.4	24%	0.235	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-24.2	-172.6	74.4	-82.3	0	0	0	114.5	I403 P404 K413 V414 L415 N419 V423	I403-W407 HydrophobicContact CG2-CB 4.1Å; I403-W407 HydrophobicContact CG2-CD2 4.36Å; I403-W407 HydrophobicContact CG2-CG 3.69Å; P404-W407 HydrophobicContact CB-CB 4.26Å; P404-W407 HydrophobicContact CG-CB 4.48Å; P404-W407 VanDerWaalsContact O-CB 3.3Å; P404-W407 WeakPolarHBondContact O-CB 3.32Å; P404-W407 PolarHBondContact O-N 2.97Å; P404-W407 VanDerWaalsContact O-N 3.16Å; W407-K413 HydrophobicContact CZ3-CD 4.14Å; W407-K413 CarbonylContact O-C 3.55Å; W407-K413 WeakPolarHBondContact O-CA 3.41Å; W407-V414 HydrophobicContact CB-CB 4.46Å; W407-V414 PolarHBondContact O-N 3.49Å; W407-L415 HydrophobicContact CE3-CD2 4.43Å; W407-L415 HydrophobicContact CZ3-CD2 4.35Å; W407-N419 VanDerWaalsContact CE3-ND2 3.35Å; W407-V423 HydrophobicContact CH2-CG2 3.75Å; W407-V423 HydrophobicContact CZ3-CG2 3.61Å
408	D	94.8	Very high	92.3	Very high	82 Å²	82	70 Å²	70	44%	0.439	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.6	8.2	-178.9	68.3	-13.4	0	0	0	114.3	E406 K413	E406-D408 PolarHBondContact O-N 3.14Å; E406-D408 VanDerWaalsContact O-N 3.08Å; D408-K413 HydrophobicContact CB-CD 4.49Å
409	K	92.9	Very high	92.9	Very high	133 Å²	133	67 Å²	67	58%	0.578	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-38.8	-177.4	-75.7	-160.8	174.8	161.6	0	114	E406	E406-K409 HydrophobicContact CB-CB 4.27Å; E406-K409 HydrophobicContact CB-CD 4.07Å; E406-K409 HydrophobicContact CB-CG 4.17Å; E406-K409 VanDerWaalsContact CD-CD 3.45Å; E406-K409 VanDerWaalsContact CD-CE 3.46Å; E406-K409 HydrophobicContact CG-CD 4.25Å; E406-K409 PolarHBondContact O-N 3.19Å; E406-K409 IonicContact OE1-NZ 2.65Å; E406-K409 PolarHBondContact OE1-NZ 3.39Å; E406-K409 WeakPolarHBondContact OE2-CD 3.36Å; E406-K409 WeakPolarHBondContact OE2-CE 3.36Å; E406-K409 IonicContact OE2-NZ 2.88Å; E406-K409 PolarHBondContact OE2-NZ 3.28Å
410	E	94.9	Very high	93.5	Very high	140 Å²	140	64.9 Å²	64.9	65%	0.654	32%	0.321	S	S	*	.	S	Bend	trans	-85.7	156	179.6	-63	-58	144.4	0	0	111	V412	E410-V412 CarbonylContact O-C 3.59Å; E410-V412 PolarHBondContact O-N 3.21Å; E410-V412 VanDerWaalsContact O-N 3.14Å
411	P	96.7	Very high	93.7	Very high	48 Å²	48	71.2 Å²	71.2	31%	0.312	35%	0.345	S	S	.	.	S	Bend	trans	-55	-32.8	178.7	-27.6	35.7	0	0	0	114.1	G454 E455 A458	P411-G454 WeakPolarHBondContact CB-O 3.45Å; P411-E455 HydrophobicContact CB-CG 4.48Å; P411-E455 HydrophobicContact CG-CG 4.18Å; P411-A458 HydrophobicContact CB-CB 4.08Å; P411-A458 HydrophobicContact CG-CB 4.42Å
412	V	97.9	Very high	94	Very high	7 Å²	7	71 Å²	71	4%	0.042	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	112.3	169.9	-178.1	0	0	0	0	109.5	E410 W450 I465 K467	E410-V412 CarbonylContact O-C 3.59Å; E410-V412 PolarHBondContact O-N 3.21Å; E410-V412 VanDerWaalsContact O-N 3.14Å; V412-W450 WeakPolarHBondContact CG2-O 3.42Å; V412-I465 HydrophobicContact CG1-CG2 4.45Å; V412-I465 HydrophobicContact CG2-CG2 4.13Å; V412-K467 HydrophobicContact CG1-CB 4.2Å; V412-K467 HydrophobicContact CG1-CD 3.92Å; V412-K467 HydrophobicContact CG1-CG 3.88Å
413	K	98	Very high	94.3	Very high	55 Å²	55	65 Å²	65	24%	0.239	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	140.7	179.5	-54.7	-166.8	-172.8	-178.9	0	111.6	W407 D408 I464 I465 A466 K467	W407-K413 HydrophobicContact CZ3-CD 4.14Å; W407-K413 CarbonylContact O-C 3.55Å; W407-K413 WeakPolarHBondContact O-CA 3.41Å; D408-K413 HydrophobicContact CB-CD 4.49Å; K413-I464 HydrophobicContact CB-CG2 4.45Å; K413-I464 HydrophobicContact CD-CG2 3.61Å; K413-I464 HydrophobicContact CG-CG2 4.04Å; K413-I465 PolarHBondContact N-O 3.2Å; K413-A466 HydrophobicContact CB-CB 4.2Å; K413-A466 CarbonylContact O-C 3.59Å; K413-A466 WeakPolarHBondContact O-CA 3.38Å; K413-A466 WeakPolarHBondContact O-CB 3.49Å; K413-K467 PolarHBondContact O-N 3.31Å
414	V	97.6	Very high	94.3	Very high	42 Å²	42	61.6 Å²	61.6	26%	0.255	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	119.3	176.1	-176.1	0	0	0	0	109.3	P404 W407 N419	P404-V414 HydrophobicContact CG-CG1 4.16Å; W407-V414 HydrophobicContact CB-CB 4.46Å; W407-V414 PolarHBondContact O-N 3.49Å; V414-N419 PolarHBondContact O-ND2 3.48Å
415	L	97.1	Very high	94.4	Very high	1 Å²	1	63.2 Å²	63.2	1%	0.005	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	146.2	175.4	-56.7	-177.4	0	0	0	110.8	W407 N419 F420 V423 I433 A466 K467 M468	W407-L415 HydrophobicContact CE3-CD2 4.43Å; W407-L415 HydrophobicContact CZ3-CD2 4.35Å; L415-N419 WeakPolarHBondContact CA-OD1 3.28Å; L415-F420 HydrophobicContact CD1-CD2 4.15Å; L415-V423 HydrophobicContact CD1-CB 4.49Å; L415-V423 HydrophobicContact CD1-CG1 4.45Å; L415-V423 HydrophobicContact CD2-CB 3.73Å; L415-V423 HydrophobicContact CD2-CG1 3.85Å; L415-V423 HydrophobicContact CD2-CG2 3.79Å; L415-I433 HydrophobicContact CD1-CD1 3.79Å; L415-I433 HydrophobicContact CD1-CG1 4.37Å; L415-I433 HydrophobicContact CD1-CG2 4.41Å; L415-A466 HydrophobicContact CD1-CB 3.82Å; L415-A466 HydrophobicContact CG-CB 3.97Å; L415-K467 PolarHBondContact N-O 2.87Å; L415-M468 HydrophobicContact CB-CB 4.2Å; L415-M468 HydrophobicContact CB-SD 4.49Å; L415-M468 WeakPolarHBondContact O-CG 3.31Å
416	V	94.8	Very high	94.5	Very high	2 Å²	2	57.4 Å²	57.4	1%	0.012	29%	0.289	C	S	.	.			trans	-129.2	166.7	169.8	-62.7	0	0	0	0	107.4	E401 I403 K418 N419 F420 N473	E401-V416 HydrophobicContact CB-CB 4.35Å; E401-V416 HydrophobicContact CB-CG1 3.81Å; I403-V416 HydrophobicContact CB-CG2 4.33Å; I403-V416 HydrophobicContact CG1-CG2 3.7Å; V416-K418 HydrophobicContact CG2-CB 4.17Å; V416-K418 PolarHBondContact O-N 3.41Å; V416-K418 VanDerWaalsContact O-N 3.08Å; V416-N419 PolarHBondContact N-OD1 2.93Å; V416-N419 PolarHBondContact O-N 3.07Å; V416-N419 PolarHBondContact O-OD1 2.79Å; V416-F420 WeakPolarHBondContact O-CB 3.42Å; V416-F420 PolarHBondContact O-N 3.44Å; V416-N473 WeakPolarHBondContact CA-OD1 3.5Å; V416-N473 VanDerWaalsContact CB-OD1 3.26Å; V416-N473 WeakPolarHBondContact CB-OD1 3.38Å
417	G	91.1	Very high	94.5	Very high	21 Å²	21	57 Å²	57	22%	0.216	30%	0.295	C	S	.	.	H	α-helix	trans	-53.2	-35.2	-179.7	0	0	0	0	0	113.8	S400 N473	S400-G417 VanDerWaalsContact OG-CA 3.29Å; S400-G417 WeakPolarHBondContact OG-CA 3.49Å; S400-G417 PolarHBondContact OG-N 2.91Å; G417-N473 PolarHBondContact N-OD1 3.49Å; G417-N473 VanDerWaalsContact N-OD1 3.17Å
418	K	90.4	Very high	94.5	Very high	108 Å²	108	56.9 Å²	56.9	47%	0.47	31%	0.307	S	S	.	.	H	α-helix	trans	-66.6	-36.2	-179.3	-72.2	178.6	-166.8	-164.9	0	114.8	S400 E402 I403 V416	S400-K418 WeakPolarHBondContact OG-CG 3.45Å; S400-K418 PolarHBondContact OG-N 3.46Å; E402-K418 IonicContact OE1-NZ 2.96Å; E402-K418 PolarHBondContact OE1-NZ 2.91Å; E402-K418 IonicContact OE2-NZ 2.62Å; E402-K418 PolarHBondContact OE2-NZ 3.33Å; I403-K418 HydrophobicContact CD1-CB 4.1Å; I403-K418 HydrophobicContact CG1-CB 3.94Å; V416-K418 HydrophobicContact CG2-CB 4.17Å; V416-K418 PolarHBondContact O-N 3.41Å; V416-K418 VanDerWaalsContact O-N 3.08Å
419	N	94.4	Very high	94.6	Very high	5 Å²	5	56 Å²	56	3%	0.027	30%	0.299	C	S	.	.	H	α-helix	trans	-103.5	-7.3	179.2	71.6	-10.4	0	0	0	113.1	I403 W407 V414 L415 V416 K421 S422 V423	I403-N419 HydrophobicContact CD1-CB 3.86Å; I403-N419 HydrophobicContact CG1-CB 4.06Å; W407-N419 VanDerWaalsContact CE3-ND2 3.35Å; V414-N419 PolarHBondContact O-ND2 3.48Å; L415-N419 WeakPolarHBondContact CA-OD1 3.28Å; V416-N419 PolarHBondContact N-OD1 2.93Å; V416-N419 PolarHBondContact O-N 3.07Å; V416-N419 PolarHBondContact O-OD1 2.79Å; N419-K421 PolarHBondContact O-N 3.06Å; N419-S422 PolarHBondContact O-N 3.11Å; N419-S422 PolarHBondContact O-OG 2.84Å; N419-V423 WeakPolarHBondContact O-CG2 3.3Å; N419-V423 PolarHBondContact O-N 3.09Å; N419-V423 VanDerWaalsContact O-N 3.15Å
420	F	94.9	Very high	94.8	Very high	3 Å²	3	50.8 Å²	50.8	1%	0.013	28%	0.278	C	S	.	.	H	α-helix	trans	-52.3	-54.4	-176.8	-175.7	-90.5	0	0	0	112.2	L415 V416 S422 V423 A424 I433 F435 M468 V475 Y489	L415-F420 HydrophobicContact CD1-CD2 4.15Å; V416-F420 WeakPolarHBondContact O-CB 3.42Å; V416-F420 PolarHBondContact O-N 3.44Å; F420-S422 VanDerWaalsContact C-N 3.33Å; F420-S422 PolarHBondContact O-N 3.34Å; F420-V423 PolarHBondContact O-N 3.02Å; F420-A424 HydrophobicContact CD1-CB 4.03Å; F420-A424 HydrophobicContact CD2-CB 4.18Å; F420-A424 HydrophobicContact CE1-CB 3.66Å; F420-A424 HydrophobicContact CE2-CB 3.83Å; F420-A424 HydrophobicContact CG-CB 4.27Å; F420-A424 HydrophobicContact CZ-CB 3.56Å; F420-A424 WeakPolarHBondContact O-CB 3.43Å; F420-A424 PolarHBondContact O-N 3.11Å; F420-I433 HydrophobicContact CD2-CD1 4.49Å; F420-I433 HydrophobicContact CE2-CD1 3.63Å; F420-I433 HydrophobicContact CZ-CD1 4.07Å; F420-F435 AromaticContact CE2-CE1 3.73Å; F420-F435 HydrophobicContact CE2-CE1 3.73Å; F420-F435 AromaticContact CE2-CZ 3.66Å; F420-F435 HydrophobicContact CE2-CZ 3.66Å; F420-F435 HydrophobicContact CZ-CE1 4.44Å; F420-F435 HydrophobicContact CZ-CZ 4.03Å; F420-M468 HydrophobicContact CD2-CE 4.43Å; F420-M468 HydrophobicContact CD2-SD 3.63Å; F420-M468 HydrophobicContact CE2-SD 4.23Å; F420-M468 HydrophobicContact CG-SD 4.43Å; F420-V475 HydrophobicContact CB-CG2 4Å; F420-V475 HydrophobicContact CD1-CB 4.34Å; F420-V475 HydrophobicContact CD1-CG1 3.62Å; F420-V475 HydrophobicContact CD1-CG2 3.84Å; F420-V475 HydrophobicContact CD2-CG2 4.13Å; F420-V475 HydrophobicContact CE1-CG1 3.82Å; F420-V475 HydrophobicContact CE1-CG2 4.38Å; F420-V475 HydrophobicContact CG-CG1 4.35Å; F420-V475 HydrophobicContact CG-CG2 3.7Å; F420-Y489 HydrophobicContact CE1-CE1 4.39Å; F420-Y489 HydrophobicContact CZ-CE1 4.07Å; F420-Y489 HydrophobicContact CZ-CE2 4.14Å; F420-Y489 AromaticContact CZ-CZ 3.66Å
421	K	91.5	Very high	95	Very high	159 Å²	159	44.1 Å²	44.1	69%	0.691	25%	0.247	S	C	*	.	H	α-helix	trans	-60.7	-41.3	-176.1	-175.7	172.7	-178.2	176.3	0	112.6	N419 V423 L425	N419-K421 PolarHBondContact O-N 3.06Å; K421-V423 VanDerWaalsContact C-N 3.29Å; K421-V423 PolarHBondContact O-N 2.92Å; K421-L425 HydrophobicContact CG-CD1 4.11Å; K421-L425 WeakPolarHBondContact O-CB 3.46Å; K421-L425 PolarHBondContact O-N 3.4Å
422	S	93.4	Very high	95.1	Very high	84 Å²	84	41.8 Å²	41.8	59%	0.587	23%	0.232	S	C	*	.	H	α-helix	trans	-69.9	-25.9	-179.4	45.8	0	0	0	0	113.5	N419 F420	N419-S422 PolarHBondContact O-N 3.11Å; N419-S422 PolarHBondContact O-OG 2.84Å; F420-S422 VanDerWaalsContact C-N 3.33Å; F420-S422 PolarHBondContact O-N 3.34Å
423	V	94.9	Very high	95.1	Very high	12 Å²	12	41.5 Å²	41.5	7%	0.073	23%	0.23	C	C	.	.	H	α-helix	trans	-97.8	-59.3	-179	-176.8	0	0	0	0	110.4	W407 L415 N419 F420 K421 L425 D426 V431 I464	W407-V423 HydrophobicContact CH2-CG2 3.75Å; W407-V423 HydrophobicContact CZ3-CG2 3.61Å; L415-V423 HydrophobicContact CD1-CB 4.49Å; L415-V423 HydrophobicContact CD1-CG1 4.45Å; L415-V423 HydrophobicContact CD2-CB 3.73Å; L415-V423 HydrophobicContact CD2-CG1 3.85Å; L415-V423 HydrophobicContact CD2-CG2 3.79Å; N419-V423 WeakPolarHBondContact O-CG2 3.3Å; N419-V423 PolarHBondContact O-N 3.09Å; N419-V423 VanDerWaalsContact O-N 3.15Å; F420-V423 PolarHBondContact O-N 3.02Å; K421-V423 VanDerWaalsContact C-N 3.29Å; K421-V423 PolarHBondContact O-N 2.92Å; V423-L425 VanDerWaalsContact C-N 3.31Å; V423-L425 PolarHBondContact O-N 3.46Å; V423-D426 WeakPolarHBondContact O-CB 3.42Å; V423-D426 PolarHBondContact O-N 3.18Å; V423-V431 HydrophobicContact CG1-CG1 4.49Å; V423-V431 WeakPolarHBondContact O-CG2 3.48Å; V423-I464 HydrophobicContact CG1-CD1 4.28Å; V423-I464 HydrophobicContact CG1-CG2 4.45Å
424	A	94.3	Very high	95.1	Very high	2 Å²	2	39.1 Å²	39.1	2%	0.017	22%	0.22	C	C	.	.	H	α-helix	trans	-64.1	-32.3	-173.9	0	0	0	0	0	113.4	F420 I433 Y489	F420-A424 HydrophobicContact CD1-CB 4.03Å; F420-A424 HydrophobicContact CD2-CB 4.18Å; F420-A424 HydrophobicContact CE1-CB 3.66Å; F420-A424 HydrophobicContact CE2-CB 3.83Å; F420-A424 HydrophobicContact CG-CB 4.27Å; F420-A424 HydrophobicContact CZ-CB 3.56Å; F420-A424 WeakPolarHBondContact O-CB 3.43Å; F420-A424 PolarHBondContact O-N 3.11Å; A424-I433 HydrophobicContact CB-CD1 3.51Å; A424-Y489 HydrophobicContact CB-CD1 4.37Å; A424-Y489 HydrophobicContact CB-CD2 4.48Å; A424-Y489 HydrophobicContact CB-CG 4.3Å; A424-Y489 WeakPolarHBondContact O-CB 3.32Å
425	L	92.9	Very high	95	Very high	86 Å²	86	37.1 Å²	37.1	45%	0.45	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	19.7	-179.1	-49.7	-173	0	0	0	112.8	K421 V423 P427 Y489	K421-L425 HydrophobicContact CG-CD1 4.11Å; K421-L425 WeakPolarHBondContact O-CB 3.46Å; K421-L425 PolarHBondContact O-N 3.4Å; V423-L425 VanDerWaalsContact C-N 3.31Å; V423-L425 PolarHBondContact O-N 3.46Å; L425-P427 WeakPolarHBondContact O-CD 3.46Å; L425-Y489 HydrophobicContact CD2-CD1 3.61Å; L425-Y489 HydrophobicContact CD2-CE1 3.99Å
426	D	94.1	Very high	94.8	Very high	56 Å²	56	39.7 Å²	39.7	30%	0.299	22%	0.218	S	C	.	.			trans	-65.7	116.1	172.6	-177	-15.7	0	0	0	109.4	V423 A428 K429	V423-D426 WeakPolarHBondContact O-CB 3.42Å; V423-D426 PolarHBondContact O-N 3.18Å; D426-A428 PolarHBondContact O-N 2.93Å; D426-A428 WeakPolarHBondContact OD1-CB 3.46Å; D426-A428 PolarHBondContact OD1-N 3.32Å; D426-K429 HydrophobicContact CB-CB 4.17Å; D426-K429 HydrophobicContact CB-CG 4.13Å; D426-K429 PolarHBondContact O-N 3.21Å; D426-K429 VanDerWaalsContact O-N 3.08Å; D426-K429 WeakPolarHBondContact OD2-CG 3.14Å
427	P	93.8	Very high	94.4	Very high	88 Å²	88	39.7 Å²	39.7	57%	0.571	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-11.5	-177.3	28.9	-36.6	0	0	0	113.5	L425 A491 E492	L425-P427 WeakPolarHBondContact O-CD 3.46Å; P427-A491 WeakPolarHBondContact O-CB 3.34Å; P427-E492 PolarHBondContact O-N 3.29Å
428	A	95.3	Very high	94	Very high	61 Å²	61	41.6 Å²	41.6	50%	0.504	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-5.6	177.1	0	0	0	0	0	113.8	D426	D426-A428 PolarHBondContact O-N 2.93Å; D426-A428 WeakPolarHBondContact OD1-CB 3.46Å; D426-A428 PolarHBondContact OD1-N 3.32Å
429	K	96.6	Very high	93.2	Very high	62 Å²	62	45 Å²	45	27%	0.27	24%	0.236	S	C	.	.			trans	-126.2	143.3	-171.1	-58.1	-65.8	-179.4	172.9	0	111.7	D426 V431 E461 N462 I464 A491	D426-K429 HydrophobicContact CB-CB 4.17Å; D426-K429 HydrophobicContact CB-CG 4.13Å; D426-K429 PolarHBondContact O-N 3.21Å; D426-K429 VanDerWaalsContact O-N 3.08Å; D426-K429 WeakPolarHBondContact OD2-CG 3.14Å; K429-V431 HydrophobicContact CB-CG2 3.97Å; K429-E461 PolarHBondContact NZ-O 2.93Å; K429-N462 CarbonylContact C-O 3.59Å; K429-N462 WeakPolarHBondContact CA-O 3.4Å; K429-I464 HydrophobicContact CB-CD1 3.94Å; K429-I464 HydrophobicContact CB-CG1 4.5Å; K429-I464 HydrophobicContact CD-CD1 4.07Å; K429-I464 HydrophobicContact CD-CG1 4.44Å; K429-I464 HydrophobicContact CG-CD1 3.81Å; K429-A491 WeakPolarHBondContact O-CA 3.29Å; K429-A491 PolarHBondContact O-N 2.98Å
430	N	97.2	Very high	92.7	Very high	24 Å²	24	45.8 Å²	45.8	13%	0.128	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	108	168.3	-64.6	-56.8	0	0	0	107.4	N462 I463 I464 Y488 Y489 A491	N430-N462 WeakPolarHBondContact CB-O 3.38Å; N430-N462 PolarHBondContact N-O 3.08Å; N430-N462 PolarHBondContact ND2-ND2 2.81Å; N430-I463 HydrophobicContact CB-CG1 4.21Å; N430-I463 CarbonylContact O-C 3.44Å; N430-I463 WeakPolarHBondContact O-CA 3.45Å; N430-I464 PolarHBondContact O-N 2.97Å; N430-Y488 HydrophobicContact CB-CE2 3.8Å; N430-Y488 VanDerWaalsContact CB-OH 3.3Å; N430-Y488 WeakPolarHBondContact CB-OH 3.35Å; N430-Y488 PolarHBondContact OD1-OH 3.26Å; N430-Y488 VanDerWaalsContact OD1-OH 3.05Å; N430-Y489 CarbonylContact C-O 3.59Å; N430-Y489 WeakPolarHBondContact CA-O 3.31Å; N430-A491 WeakPolarHBondContact OD1-CB 3.24Å; N430-A491 PolarHBondContact OD1-N 2.85Å
431	V	97.9	Very high	91.9	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	121.4	-171.7	-167.1	0	0	0	0	110.1	V423 K429 I433 I464 A466 Y489	V423-V431 HydrophobicContact CG1-CG1 4.49Å; V423-V431 WeakPolarHBondContact O-CG2 3.48Å; K429-V431 HydrophobicContact CB-CG2 3.97Å; V431-I433 HydrophobicContact CB-CG1 4.48Å; V431-I433 HydrophobicContact CG1-CD1 3.85Å; V431-I433 HydrophobicContact CG1-CG1 3.64Å; V431-I464 WeakPolarHBondContact CA-O 3.43Å; V431-I464 HydrophobicContact CB-CB 4.48Å; V431-I464 HydrophobicContact CG1-CB 4.1Å; V431-I464 HydrophobicContact CG1-CG2 3.97Å; V431-I464 HydrophobicContact CG2-CB 4.22Å; V431-I464 HydrophobicContact CG2-CD1 4.34Å; V431-A466 HydrophobicContact CG1-CB 4.4Å; V431-Y489 PolarHBondContact N-O 3.25Å; V431-Y489 PolarHBondContact O-N 3.42Å
432	F	98.2	Very high	91.7	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	117.6	178.1	-162.5	-139.1	0	0	0	109.6	W450 L453 I464 I465 A466 I486 K487 Y488 Y499 F508 F511 L512	F432-W450 AromaticContact CD1-CH2 3.29Å; F432-W450 HydrophobicContact CD1-CH2 3.29Å; F432-W450 HydrophobicContact CD1-CZ2 4.06Å; F432-W450 AromaticContact CD1-CZ3 3.87Å; F432-W450 HydrophobicContact CD1-CZ3 3.87Å; F432-W450 HydrophobicContact CD2-CH2 4.44Å; F432-W450 AromaticContact CE1-CH2 3.36Å; F432-W450 HydrophobicContact CE1-CH2 3.36Å; F432-W450 AromaticContact CE1-CZ3 3.53Å; F432-W450 HydrophobicContact CE1-CZ3 3.53Å; F432-W450 AromaticContact CG-CH2 3.87Å; F432-W450 HydrophobicContact CG-CH2 3.87Å; F432-W450 HydrophobicContact CG-CZ2 4.44Å; F432-W450 HydrophobicContact CZ-CH2 4.01Å; F432-W450 HydrophobicContact CZ-CZ3 4.23Å; F432-L453 HydrophobicContact CD1-CD2 3.86Å; F432-L453 HydrophobicContact CE1-CD2 3.98Å; F432-I464 PolarHBondContact N-O 3.08Å; F432-I465 HydrophobicContact CB-CD1 4.04Å; F432-I465 HydrophobicContact CD1-CD1 4.3Å; F432-A466 PolarHBondContact O-N 2.86Å; F432-I486 HydrophobicContact CD2-CG2 4.1Å; F432-I486 HydrophobicContact CE1-CG2 4.1Å; F432-I486 HydrophobicContact CE2-CG2 3.38Å; F432-I486 HydrophobicContact CZ-CG2 3.38Å; F432-K487 WeakPolarHBondContact CD2-O 3.43Å; F432-Y488 HydrophobicContact CB-CD2 4.24Å; F432-Y488 HydrophobicContact CD2-CD2 4.01Å; F432-Y488 HydrophobicContact CD2-CG 4.38Å; F432-Y488 HydrophobicContact CG-CD2 4.47Å; F432-Y499 HydrophobicContact CE2-CD2 4.15Å; F432-Y499 HydrophobicContact CE2-CG 4.14Å; F432-Y499 HydrophobicContact CZ-CD1 4.44Å; F432-Y499 AromaticContact CZ-CD2 3.83Å; F432-Y499 HydrophobicContact CZ-CD2 3.83Å; F432-Y499 HydrophobicContact CZ-CE2 4.32Å; F432-Y499 AromaticContact CZ-CG 3.88Å; F432-Y499 HydrophobicContact CZ-CG 3.88Å; F432-F508 HydrophobicContact CE1-CB 4.41Å; F432-F508 AromaticContact CE1-CD1 3.57Å; F432-F508 HydrophobicContact CE1-CD1 3.57Å; F432-F508 HydrophobicContact CE1-CE1 4.03Å; F432-F508 HydrophobicContact CE1-CG 4.15Å; F432-F508 AromaticContact CZ-CD1 3.76Å; F432-F508 HydrophobicContact CZ-CD1 3.76Å; F432-F508 HydrophobicContact CZ-CE1 4.02Å; F432-F511 HydrophobicContact CD2-CE1 4.09Å; F432-F511 HydrophobicContact CE2-CD1 4.06Å; F432-F511 AromaticContact CE2-CE1 3.63Å; F432-F511 HydrophobicContact CE2-CE1 3.63Å; F432-F511 HydrophobicContact CZ-CD1 4.09Å; F432-F511 HydrophobicContact CZ-CE1 4.13Å; F432-L512 HydrophobicContact CB-CD2 3.88Å; F432-L512 HydrophobicContact CD1-CD1 4.13Å; F432-L512 HydrophobicContact CD1-CD2 4.03Å; F432-L512 HydrophobicContact CD1-CG 4.34Å; F432-L512 HydrophobicContact CD2-CD2 4.45Å; F432-L512 HydrophobicContact CG-CD2 3.9Å
433	I	98.2	Very high	91.6	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	126.3	-165.1	-47.3	-179.5	0	0	0	110.4	L415 F420 A424 V431 F435 A466 I486 K487 Y489	L415-I433 HydrophobicContact CD1-CD1 3.79Å; L415-I433 HydrophobicContact CD1-CG1 4.37Å; L415-I433 HydrophobicContact CD1-CG2 4.41Å; F420-I433 HydrophobicContact CD2-CD1 4.49Å; F420-I433 HydrophobicContact CE2-CD1 3.63Å; F420-I433 HydrophobicContact CZ-CD1 4.07Å; A424-I433 HydrophobicContact CB-CD1 3.51Å; V431-I433 HydrophobicContact CB-CG1 4.48Å; V431-I433 HydrophobicContact CG1-CD1 3.85Å; V431-I433 HydrophobicContact CG1-CG1 3.64Å; I433-F435 HydrophobicContact CB-CE2 4.11Å; I433-F435 HydrophobicContact CB-CZ 4.08Å; I433-F435 HydrophobicContact CD1-CZ 4.44Å; I433-F435 HydrophobicContact CG2-CD1 4.34Å; I433-F435 HydrophobicContact CG2-CD2 4.49Å; I433-F435 HydrophobicContact CG2-CE1 3.85Å; I433-F435 HydrophobicContact CG2-CE2 4.03Å; I433-F435 HydrophobicContact CG2-CZ 3.7Å; I433-A466 WeakPolarHBondContact CA-O 3.36Å; I433-A466 HydrophobicContact CG1-CB 4.28Å; I433-I486 WeakPolarHBondContact O-CA 3.43Å; I433-K487 PolarHBondContact N-O 3.09Å; I433-K487 PolarHBondContact O-N 3Å; I433-Y489 HydrophobicContact CD1-CD2 3.58Å; I433-Y489 HydrophobicContact CD1-CE2 3.6Å; I433-Y489 HydrophobicContact CD1-CG 4.49Å; I433-Y489 HydrophobicContact CG1-CD2 4.02Å; I433-Y489 HydrophobicContact CG1-CE2 4.18Å
434	E	97.8	Very high	91.3	Very high	5 Å²	5	47.6 Å²	47.6	2%	0.023	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	122.3	164.8	-176.1	-163.1	-171.4	0	0	110.1	L446 W450 A466 K467 M468 P484	E434-L446 HydrophobicContact CG-CD2 4.17Å; E434-W450 HydrophobicContact CB-CD2 3.99Å; E434-W450 HydrophobicContact CB-CG 4.46Å; E434-W450 HydrophobicContact CB-CH2 4.24Å; E434-W450 HydrophobicContact CB-CZ2 3.69Å; E434-W450 VanDerWaalsContact N-CZ2 3.3Å; E434-A466 PolarHBondContact N-O 3.25Å; E434-K467 HydrophobicContact CB-CB 4.36Å; E434-K467 CarbonylContact O-C 3.54Å; E434-K467 VanDerWaalsContact O-CA 3.28Å; E434-K467 WeakPolarHBondContact O-CA 3.21Å; E434-M468 PolarHBondContact O-N 3.34Å; E434-P484 HydrophobicContact CG-CB 4.13Å
435	F	97.1	Very high	91.3	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	113.3	167.9	-59.4	-76.3	0	0	0	109.4	F420 I433 M468 A470 L478 I480 P484 T485 K487 Y489	F420-F435 AromaticContact CE2-CE1 3.73Å; F420-F435 HydrophobicContact CE2-CE1 3.73Å; F420-F435 AromaticContact CE2-CZ 3.66Å; F420-F435 HydrophobicContact CE2-CZ 3.66Å; F420-F435 HydrophobicContact CZ-CE1 4.44Å; F420-F435 HydrophobicContact CZ-CZ 4.03Å; I433-F435 HydrophobicContact CB-CE2 4.11Å; I433-F435 HydrophobicContact CB-CZ 4.08Å; I433-F435 HydrophobicContact CD1-CZ 4.44Å; I433-F435 HydrophobicContact CG2-CD1 4.34Å; I433-F435 HydrophobicContact CG2-CD2 4.49Å; I433-F435 HydrophobicContact CG2-CE1 3.85Å; I433-F435 HydrophobicContact CG2-CE2 4.03Å; I433-F435 HydrophobicContact CG2-CZ 3.7Å; F435-M468 WeakPolarHBondContact CA-O 3.42Å; F435-M468 HydrophobicContact CD1-CB 3.9Å; F435-M468 HydrophobicContact CD1-CE 3.63Å; F435-M468 HydrophobicContact CD1-CG 4.4Å; F435-M468 HydrophobicContact CD1-SD 4.4Å; F435-M468 HydrophobicContact CE1-CB 4.07Å; F435-M468 HydrophobicContact CE1-CE 3.44Å; F435-M468 VanDerWaalsContact CE1-CE 3.44Å; F435-M468 HydrophobicContact CE1-CG 4.49Å; F435-M468 HydrophobicContact CE1-SD 4Å; F435-A470 HydrophobicContact CB-CB 4.03Å; F435-A470 HydrophobicContact CD1-CB 4.35Å; F435-L478 HydrophobicContact CD1-CD2 3.67Å; F435-L478 HydrophobicContact CD2-CD2 4.38Å; F435-L478 HydrophobicContact CE1-CD2 3.22Å; F435-L478 HydrophobicContact CE2-CD1 4.15Å; F435-L478 HydrophobicContact CE2-CD2 4Å; F435-L478 HydrophobicContact CG-CD2 4.22Å; F435-L478 HydrophobicContact CZ-CD1 4.18Å; F435-L478 HydrophobicContact CZ-CD2 3.39Å; F435-L478 HydrophobicContact CZ-CG 4.44Å; F435-I480 HydrophobicContact CB-CD1 3.92Å; F435-I480 HydrophobicContact CB-CG1 4.16Å; F435-I480 HydrophobicContact CD1-CD1 4.48Å; F435-I480 HydrophobicContact CD2-CD1 3.88Å; F435-I480 HydrophobicContact CG-CD1 3.82Å; F435-I480 HydrophobicContact CG-CG1 4.3Å; F435-P484 WeakPolarHBondContact O-CA 3.35Å; F435-T485 WeakPolarHBondContact CB-O 3.27Å; F435-T485 HydrophobicContact CD2-CG2 4.42Å; F435-T485 WeakPolarHBondContact CD2-O 3.42Å; F435-T485 PolarHBondContact N-O 3.13Å; F435-T485 PolarHBondContact O-N 3.37Å; F435-K487 HydrophobicContact CD2-CG 4.48Å; F435-K487 HydrophobicContact CE2-CB 4.03Å; F435-K487 HydrophobicContact CE2-CD 3.97Å; F435-K487 HydrophobicContact CE2-CG 4.07Å; F435-Y489 HydrophobicContact CE2-CE2 4.42Å; F435-Y489 HydrophobicContact CZ-CE2 4.31Å
436	Y	93.1	Very high	91.3	Very high	56 Å²	56	50 Å²	50	22%	0.22	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	170.8	-170.8	75	-87.5	0	0	0	113.1	P438 K467 M468 D469 A470	Y436-P438 HydrophobicContact CE2-CG 4.28Å; Y436-K467 HydrophobicContact CD1-CB 4.13Å; Y436-K467 HydrophobicContact CE1-CB 3.98Å; Y436-K467 HydrophobicContact CE1-CD 4.19Å; Y436-K467 HydrophobicContact CE1-CG 4.05Å; Y436-M468 VanDerWaalsContact CD1-O 3.31Å; Y436-M468 WeakPolarHBondContact CD1-O 3.36Å; Y436-M468 VanDerWaalsContact CE1-C 3.47Å; Y436-M468 PolarHBondContact N-O 3.2Å; Y436-D469 HydrophobicContact CE1-CB 4.25Å; Y436-D469 HydrophobicContact CE2-CB 4.16Å; Y436-A470 PolarHBondContact O-N 3.32Å
437	A	84.9	Confident	91.4	Very high	1 Å²	1	49 Å²	49	1%	0.008	26%	0.261	C	S	.	.			trans	-126.6	133.1	168.2	0	0	0	0	0	109.4	W439 C440 T471 F483	A437-W439 HydrophobicContact CB-CD2 4.4Å; A437-W439 HydrophobicContact CB-CZ2 4.32Å; A437-W439 PolarHBondContact O-N 3.04Å; A437-C440 HydrophobicContact CB-CB 4.11Å; A437-C440 WeakPolarHBondContact O-CB 3.32Å; A437-C440 PolarHBondContact O-N 3.36Å; A437-T471 HydrophobicContact CB-CG2 3.36Å; A437-F483 HydrophobicContact CB-CB 4.25Å; A437-F483 HydrophobicContact CB-CD1 4Å; A437-F483 HydrophobicContact CB-CD2 3.78Å; A437-F483 HydrophobicContact CB-CE1 4.26Å; A437-F483 HydrophobicContact CB-CE2 4.07Å; A437-F483 HydrophobicContact CB-CG 3.74Å; A437-F483 HydrophobicContact CB-CZ 4.3Å
438	P	83.3	Confident	91.6	Very high	62 Å²	62	48.2 Å²	48.2	40%	0.403	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-25.8	-174	-27.3	34.2	0	0	0	115.1	Y436 K444 D469	Y436-P438 HydrophobicContact CE2-CG 4.28Å; P438-K444 WeakPolarHBondContact O-CE 3.4Å; P438-D469 VanDerWaalsContact CD-OD2 3.27Å; P438-D469 WeakPolarHBondContact CD-OD2 3.28Å; P438-D469 WeakPolarHBondContact CG-OD2 3.49Å
439	W	74.5	Confident	91.7	Very high	179 Å²	179	47.6 Å²	47.6	68%	0.678	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-7.3	179.7	52.3	86.3	0	0	0	114.2	A437 G441 T471	A437-W439 HydrophobicContact CB-CD2 4.4Å; A437-W439 HydrophobicContact CB-CZ2 4.32Å; A437-W439 PolarHBondContact O-N 3.04Å; W439-G441 PolarHBondContact O-N 3.47Å; W439-T471 VanDerWaalsContact CH2-CB 3.44Å; W439-T471 HydrophobicContact CH2-CG2 3.45Å; W439-T471 VanDerWaalsContact CH2-CG2 3.45Å; W439-T471 WeakPolarHBondContact CH2-OG1 3.28Å; W439-T471 HydrophobicContact CZ2-CG2 3.51Å; W439-T471 HydrophobicContact CZ3-CG2 4.22Å
440	C	83.6	Confident	91.8	Very high	21 Å²	21	44.7 Å²	44.7	14%	0.142	23%	0.231	C	C	.	.			trans	-74.6	124.1	-176.7	179.4	0	0	0	0	111.6	A437 C443 K444 F483	A437-C440 HydrophobicContact CB-CB 4.11Å; A437-C440 WeakPolarHBondContact O-CB 3.32Å; A437-C440 PolarHBondContact O-N 3.36Å; C440-C443 HydrophobicContact CB-CB 3.91Å; C440-C443 VanDerWaalsContact CB-SG 3.54Å; C440-C443 PolarHBondContact O-N 2.96Å; C440-K444 WeakPolarHBondContact O-CG 3.4Å; C440-K444 PolarHBondContact O-N 3.36Å; C440-F483 HydrophobicContact CB-CB 4.24Å; C440-F483 PolarHBondContact SG-O 2.86Å
441	G	78	Confident	91.8	Very high	44 Å²	44	46.7 Å²	46.7	45%	0.454	24%	0.242	S	C	.	.	H	α-helix	trans	-59.5	-47.1	177	0	0	0	0	0	112.8	W439 C443 K444 E445	W439-G441 PolarHBondContact O-N 3.47Å; G441-C443 VanDerWaalsContact C-N 3.29Å; G441-C443 PolarHBondContact O-N 2.8Å; G441-K444 WeakPolarHBondContact O-CB 3.35Å; G441-K444 PolarHBondContact O-N 2.66Å; G441-E445 PolarHBondContact O-N 2.94Å
442	H	86.1	Confident	91.8	Very high	114 Å²	114	51.3 Å²	51.3	53%	0.528	26%	0.263	S	S	.	.	H	α-helix	trans	-64.1	-30.7	179.2	-60.7	-54.6	0	0	0	113.7	E445 L446	H442-E445 IonicContact ND1-OE2 2.63Å; H442-E445 PolarHBondContact ND1-OE2 2.94Å; H442-L446 WeakPolarHBondContact O-CB 3.48Å; H442-L446 PolarHBondContact O-N 3.39Å; H442-L446 VanDerWaalsContact O-N 3.1Å
443	C	91.1	Very high	91.8	Very high	6 Å²	6	51.3 Å²	51.3	4%	0.041	26%	0.263	C	S	.	.	H	α-helix	trans	-68.3	-41	172.4	-64.7	0	0	0	0	111.1	C440 G441 E445 L446 A447	C440-C443 HydrophobicContact CB-CB 3.91Å; C440-C443 VanDerWaalsContact CB-SG 3.54Å; C440-C443 PolarHBondContact O-N 2.96Å; G441-C443 VanDerWaalsContact C-N 3.29Å; G441-C443 PolarHBondContact O-N 2.8Å; C443-E445 VanDerWaalsContact C-N 3.3Å; C443-E445 PolarHBondContact O-N 2.91Å; C443-L446 PolarHBondContact O-N 3.23Å; C443-A447 PolarHBondContact O-N 3.2Å
444	K	90.1	Very high	91.7	Very high	132 Å²	132	51.3 Å²	51.3	57%	0.574	26%	0.263	S	S	*	.	H	α-helix	trans	-65.2	-35	177.3	-67.3	174.3	-178.1	177.9	0	112.2	P438 C440 G441 P448	P438-K444 WeakPolarHBondContact O-CE 3.4Å; C440-K444 WeakPolarHBondContact O-CG 3.4Å; C440-K444 PolarHBondContact O-N 3.36Å; G441-K444 WeakPolarHBondContact O-CB 3.35Å; G441-K444 PolarHBondContact O-N 2.66Å; K444-P448 WeakPolarHBondContact O-CD 3.35Å
445	E	92.6	Very high	91.7	Very high	134 Å²	134	57.6 Å²	57.6	63%	0.626	29%	0.293	S	S	*	.	H	α-helix	trans	-67.9	-37.4	173.6	-71	169.6	174.7	0	0	112.3	G441 H442 C443 P448	G441-E445 PolarHBondContact O-N 2.94Å; H442-E445 IonicContact ND1-OE2 2.63Å; H442-E445 PolarHBondContact ND1-OE2 2.94Å; C443-E445 VanDerWaalsContact C-N 3.3Å; C443-E445 PolarHBondContact O-N 2.91Å; E445-P448 WeakPolarHBondContact O-CD 3.28Å
446	L	94.8	Very high	91.8	Very high	5 Å²	5	63.1 Å²	63.1	3%	0.026	32%	0.317	C	S	.	.	H	α-helix	trans	-74.8	-32.3	179	-179.9	57.6	0	0	0	113.1	E434 H442 C443 I449 W450 P484 I486 R503 F508	E434-L446 HydrophobicContact CG-CD2 4.17Å; H442-L446 WeakPolarHBondContact O-CB 3.48Å; H442-L446 PolarHBondContact O-N 3.39Å; H442-L446 VanDerWaalsContact O-N 3.1Å; C443-L446 PolarHBondContact O-N 3.23Å; L446-I449 HydrophobicContact CD1-CB 4.29Å; L446-I449 HydrophobicContact CD1-CG2 4.49Å; L446-I449 WeakPolarHBondContact O-CB 3.21Å; L446-I449 PolarHBondContact O-N 2.6Å; L446-W450 HydrophobicContact CD1-CE3 4.44Å; L446-W450 HydrophobicContact CD2-CE3 4.48Å; L446-W450 HydrophobicContact CG-CB 4.5Å; L446-W450 PolarHBondContact O-N 3.44Å; L446-P484 HydrophobicContact CD2-CB 4.09Å; L446-P484 HydrophobicContact CD2-CG 3.84Å; L446-I486 HydrophobicContact CD2-CD1 3.79Å; L446-I486 HydrophobicContact CD2-CG1 4.44Å; L446-R503 HydrophobicContact CD1-CB 4.16Å; L446-F508 HydrophobicContact CD1-CE2 3.75Å; L446-F508 HydrophobicContact CD1-CZ 3.9Å
447	A	95	Very high	91.9	Very high	34 Å²	34	60.9 Å²	60.9	28%	0.281	31%	0.308	S	S	.	.	H	α-helix	trans	-50.5	-46.6	-171.7	0	0	0	0	0	114.5	C443 I449 W450 D451	C443-A447 PolarHBondContact O-N 3.2Å; A447-I449 VanDerWaalsContact C-N 3.32Å; A447-I449 PolarHBondContact O-N 3.22Å; A447-W450 PolarHBondContact O-N 3.5Å; A447-D451 VanDerWaalsContact O-CG 3.31Å; A447-D451 PolarHBondContact O-N 3.32Å
448	P	97.3	Very high	92.4	Very high	73 Å²	73	63.4 Å²	63.4	47%	0.474	33%	0.329	S	S	.	.	H	α-helix	trans	-63.3	-35.1	177.6	-21.5	33.6	0	0	0	113.7	K444 E445 Q452	K444-P448 WeakPolarHBondContact O-CD 3.35Å; E445-P448 WeakPolarHBondContact O-CD 3.28Å; P448-Q452 VanDerWaalsContact O-CG 3.3Å; P448-Q452 WeakPolarHBondContact O-CG 3.34Å; P448-Q452 PolarHBondContact O-N 3.37Å; P448-Q452 VanDerWaalsContact O-N 3.13Å
449	I	98	Very high	92.9	Very high	48 Å²	48	68.4 Å²	68.4	25%	0.246	35%	0.352	C	S	.	.	H	α-helix	trans	-71.8	-39.3	177.8	-61	171.1	0	0	0	109.7	L446 A447 Q452 L453 R503 L505 F508	L446-I449 HydrophobicContact CD1-CB 4.29Å; L446-I449 HydrophobicContact CD1-CG2 4.49Å; L446-I449 WeakPolarHBondContact O-CB 3.21Å; L446-I449 PolarHBondContact O-N 2.6Å; A447-I449 VanDerWaalsContact C-N 3.32Å; A447-I449 PolarHBondContact O-N 3.22Å; I449-Q452 PolarHBondContact O-N 3.07Å; I449-L453 WeakPolarHBondContact O-CB 3.49Å; I449-L453 PolarHBondContact O-N 2.94Å; I449-R503 WeakPolarHBondContact CD1-O 3.3Å; I449-L505 HydrophobicContact CG2-CB 4.27Å; I449-F508 HydrophobicContact CG2-CD2 4.09Å; I449-F508 HydrophobicContact CG2-CE2 3.96Å
450	W	98.1	Very high	93.9	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-65.8	-40.1	177.4	-157	-106.4	0	0	0	112.1	V412 F432 E434 L446 A447 L453 G454 I465 A466 I486 F508	V412-W450 WeakPolarHBondContact CG2-O 3.42Å; F432-W450 AromaticContact CD1-CH2 3.29Å; F432-W450 HydrophobicContact CD1-CH2 3.29Å; F432-W450 HydrophobicContact CD1-CZ2 4.06Å; F432-W450 AromaticContact CD1-CZ3 3.87Å; F432-W450 HydrophobicContact CD1-CZ3 3.87Å; F432-W450 HydrophobicContact CD2-CH2 4.44Å; F432-W450 AromaticContact CE1-CH2 3.36Å; F432-W450 HydrophobicContact CE1-CH2 3.36Å; F432-W450 AromaticContact CE1-CZ3 3.53Å; F432-W450 HydrophobicContact CE1-CZ3 3.53Å; F432-W450 AromaticContact CG-CH2 3.87Å; F432-W450 HydrophobicContact CG-CH2 3.87Å; F432-W450 HydrophobicContact CG-CZ2 4.44Å; F432-W450 HydrophobicContact CZ-CH2 4.01Å; F432-W450 HydrophobicContact CZ-CZ3 4.23Å; E434-W450 HydrophobicContact CB-CD2 3.99Å; E434-W450 HydrophobicContact CB-CG 4.46Å; E434-W450 HydrophobicContact CB-CH2 4.24Å; E434-W450 HydrophobicContact CB-CZ2 3.69Å; E434-W450 VanDerWaalsContact N-CZ2 3.3Å; L446-W450 HydrophobicContact CD1-CE3 4.44Å; L446-W450 HydrophobicContact CD2-CE3 4.48Å; L446-W450 HydrophobicContact CG-CB 4.5Å; L446-W450 PolarHBondContact O-N 3.44Å; A447-W450 PolarHBondContact O-N 3.5Å; W450-L453 HydrophobicContact CE3-CD2 4.21Å; W450-L453 HydrophobicContact CZ3-CD2 4.13Å; W450-L453 WeakPolarHBondContact O-CB 3.32Å; W450-L453 PolarHBondContact O-N 2.87Å; W450-G454 PolarHBondContact O-N 2.94Å; W450-I465 HydrophobicContact CD2-CG2 4.33Å; W450-I465 HydrophobicContact CZ2-CG2 4.03Å; W450-A466 WeakPolarHBondContact CZ2-O 3.45Å; W450-A466 PolarHBondContact NE1-O 3.45Å; W450-I486 HydrophobicContact CH2-CG2 3.65Å; W450-I486 HydrophobicContact CZ3-CD1 4.14Å; W450-I486 HydrophobicContact CZ3-CG2 4.01Å; W450-F508 HydrophobicContact CE3-CE2 4.12Å; W450-F508 HydrophobicContact CE3-CZ 4.16Å; W450-F508 HydrophobicContact CZ3-CD1 4.46Å; W450-F508 HydrophobicContact CZ3-CE1 4.01Å; W450-F508 HydrophobicContact CZ3-CE2 4.19Å; W450-F508 AromaticContact CZ3-CZ 3.88Å; W450-F508 HydrophobicContact CZ3-CZ 3.88Å
451	D	97.4	Very high	94.2	Very high	67 Å²	67	71.2 Å²	71.2	36%	0.358	37%	0.371	S	S	.	.	H	α-helix	trans	-64.1	-43.8	174.4	-68.9	-23.2	0	0	0	111.2	A447 L453 G454 E455 K467	A447-D451 VanDerWaalsContact O-CG 3.31Å; A447-D451 PolarHBondContact O-N 3.32Å; D451-L453 VanDerWaalsContact C-N 3.31Å; D451-L453 PolarHBondContact O-N 2.86Å; D451-G454 WeakPolarHBondContact O-CA 3.49Å; D451-G454 PolarHBondContact O-N 2.74Å; D451-G454 VanDerWaalsContact O-N 3.16Å; D451-E455 PolarHBondContact O-N 2.86Å; D451-K467 IonicContact OD1-NZ 2.65Å
452	Q	97.9	Very high	94.9	Very high	96 Å²	96	72 Å²	72	45%	0.449	36%	0.364	S	S	.	.	H	α-helix	trans	-60.4	-39.1	173.1	-73.9	173.3	7.9	0	0	112.8	P448 I449 E455 K456 L505	P448-Q452 VanDerWaalsContact O-CG 3.3Å; P448-Q452 WeakPolarHBondContact O-CG 3.34Å; P448-Q452 PolarHBondContact O-N 3.37Å; P448-Q452 VanDerWaalsContact O-N 3.13Å; I449-Q452 PolarHBondContact O-N 3.07Å; Q452-E455 PolarHBondContact O-N 3.04Å; Q452-K456 WeakPolarHBondContact O-CB 3.44Å; Q452-K456 PolarHBondContact O-N 3.28Å; Q452-L505 HydrophobicContact CB-CD1 4.23Å; Q452-L505 HydrophobicContact CB-CD2 4.26Å
453	L	98.1	Very high	95.5	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-64.5	-43.4	175.3	-172.5	70.3	0	0	0	110.6	F432 I449 W450 D451 K456 Y457 I465 L505 F508 L512	F432-L453 HydrophobicContact CD1-CD2 3.86Å; F432-L453 HydrophobicContact CE1-CD2 3.98Å; I449-L453 WeakPolarHBondContact O-CB 3.49Å; I449-L453 PolarHBondContact O-N 2.94Å; W450-L453 HydrophobicContact CE3-CD2 4.21Å; W450-L453 HydrophobicContact CZ3-CD2 4.13Å; W450-L453 WeakPolarHBondContact O-CB 3.32Å; W450-L453 PolarHBondContact O-N 2.87Å; D451-L453 VanDerWaalsContact C-N 3.31Å; D451-L453 PolarHBondContact O-N 2.86Å; L453-K456 PolarHBondContact O-N 3.32Å; L453-Y457 HydrophobicContact CD1-CD2 3.84Å; L453-Y457 HydrophobicContact CD1-CE2 3.61Å; L453-Y457 HydrophobicContact CG-CD2 4.26Å; L453-Y457 HydrophobicContact CG-CE2 4.48Å; L453-Y457 WeakPolarHBondContact O-CD2 3.46Å; L453-Y457 PolarHBondContact O-N 3.03Å; L453-Y457 VanDerWaalsContact O-N 3.15Å; L453-I465 HydrophobicContact CD2-CD1 3.95Å; L453-I465 HydrophobicContact CD2-CG2 4.43Å; L453-I465 HydrophobicContact CG-CD1 3.99Å; L453-I465 HydrophobicContact CG-CG1 4.22Å; L453-L505 HydrophobicContact CB-CD1 3.92Å; L453-L505 HydrophobicContact CD1-CD1 3.82Å; L453-F508 HydrophobicContact CD1-CB 3.77Å; L453-F508 HydrophobicContact CD2-CB 3.77Å; L453-F508 HydrophobicContact CD2-CD2 4.13Å; L453-F508 HydrophobicContact CD2-CG 4.02Å; L453-F508 HydrophobicContact CG-CB 4.42Å; L453-L512 HydrophobicContact CD1-CD1 4.1Å; L453-L512 HydrophobicContact CD2-CD1 4.21Å; L453-L512 HydrophobicContact CG-CD1 4.36Å
454	G	97.8	Very high	95.8	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-54.8	-51.8	172.5	0	0	0	0	0	112.1	P411 W450 D451 K456 Y457 A458	P411-G454 WeakPolarHBondContact CB-O 3.45Å; W450-G454 PolarHBondContact O-N 2.94Å; D451-G454 WeakPolarHBondContact O-CA 3.49Å; D451-G454 PolarHBondContact O-N 2.74Å; D451-G454 VanDerWaalsContact O-N 3.16Å; G454-K456 VanDerWaalsContact C-N 3.31Å; G454-K456 PolarHBondContact O-N 2.59Å; G454-Y457 CarbonylContact O-C 3.57Å; G454-Y457 PolarHBondContact O-N 2.82Å; G454-A458 PolarHBondContact O-N 2.77Å
455	E	97.8	Very high	96.2	Very high	137 Å²	137	61.4 Å²	61.4	64%	0.64	32%	0.317	S	S	*	.	H	α-helix	trans	-56.8	-43.8	177.3	-72.2	178	179.7	0	0	112.1	P411 D451 Q452 Y457 A458	P411-E455 HydrophobicContact CB-CG 4.48Å; P411-E455 HydrophobicContact CG-CG 4.18Å; D451-E455 PolarHBondContact O-N 2.86Å; Q452-E455 PolarHBondContact O-N 3.04Å; E455-Y457 VanDerWaalsContact C-N 3.31Å; E455-Y457 PolarHBondContact O-N 3.19Å; E455-A458 WeakPolarHBondContact O-CB 3.47Å; E455-A458 PolarHBondContact O-N 2.84Å
456	K	97.6	Very high	96.5	Very high	116 Å²	116	55 Å²	55	50%	0.504	29%	0.288	S	S	.	.	H	α-helix	trans	-62.1	-37.2	-179.5	-178.8	174.3	175	-179.6	0	112.9	Q452 L453 G454 S509	Q452-K456 WeakPolarHBondContact O-CB 3.44Å; Q452-K456 PolarHBondContact O-N 3.28Å; L453-K456 PolarHBondContact O-N 3.32Å; G454-K456 VanDerWaalsContact C-N 3.31Å; G454-K456 PolarHBondContact O-N 2.59Å; K456-S509 PolarHBondContact NZ-OG 2.93Å
457	Y	96.9	Very high	96.6	Very high	10 Å²	10	57.3 Å²	57.3	4%	0.039	30%	0.297	C	S	.	.	H	α-helix	trans	-102.5	9.4	-177.2	-71	-87.5	0	0	0	113.6	L453 G454 E455 D459 H460 I463 S509 L512 D513	L453-Y457 HydrophobicContact CD1-CD2 3.84Å; L453-Y457 HydrophobicContact CD1-CE2 3.61Å; L453-Y457 HydrophobicContact CG-CD2 4.26Å; L453-Y457 HydrophobicContact CG-CE2 4.48Å; L453-Y457 WeakPolarHBondContact O-CD2 3.46Å; L453-Y457 PolarHBondContact O-N 3.03Å; L453-Y457 VanDerWaalsContact O-N 3.15Å; G454-Y457 CarbonylContact O-C 3.57Å; G454-Y457 PolarHBondContact O-N 2.82Å; E455-Y457 VanDerWaalsContact C-N 3.31Å; E455-Y457 PolarHBondContact O-N 3.19Å; Y457-D459 VanDerWaalsContact C-N 3.28Å; Y457-D459 PolarHBondContact O-N 2.89Å; Y457-H460 HydrophobicContact CD1-CB 4.14Å; Y457-H460 VanDerWaalsContact O-CB 3.3Å; Y457-H460 WeakPolarHBondContact O-CB 3.44Å; Y457-H460 PolarHBondContact O-N 3.26Å; Y457-I463 HydrophobicContact CD1-CB 4.12Å; Y457-I463 HydrophobicContact CD1-CD1 3.65Å; Y457-I463 HydrophobicContact CD1-CG1 4.49Å; Y457-I463 HydrophobicContact CD1-CG2 3.88Å; Y457-I463 HydrophobicContact CE1-CD1 3.63Å; Y457-I463 HydrophobicContact CG-CG2 4.05Å; Y457-S509 VanDerWaalsContact OH-CA 3.32Å; Y457-S509 WeakPolarHBondContact OH-CA 3.38Å; Y457-S509 PolarHBondContact OH-O 3.14Å; Y457-L512 HydrophobicContact CD2-CD1 4.04Å; Y457-L512 HydrophobicContact CE1-CB 4.29Å; Y457-L512 HydrophobicContact CE1-CD1 4.47Å; Y457-L512 HydrophobicContact CE2-CD1 3.76Å; Y457-D513 WeakPolarHBondContact CE1-OD1 3.44Å; Y457-D513 PolarHBondContact OH-OD1 3.26Å; Y457-D513 PolarHBondContact OH-OD2 3.32Å
458	A	94.6	Very high	96.7	Very high	54 Å²	54	55.8 Å²	55.8	45%	0.446	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-39.4	-175.7	0	0	0	0	0	113.5	P411 G454 E455	P411-A458 HydrophobicContact CB-CB 4.08Å; P411-A458 HydrophobicContact CG-CB 4.42Å; G454-A458 PolarHBondContact O-N 2.77Å; E455-A458 WeakPolarHBondContact O-CB 3.47Å; E455-A458 PolarHBondContact O-N 2.84Å
459	D	93.6	Very high	96.6	Very high	166 Å²	166	53.1 Å²	53.1	89%	0.888	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	5.2	-179.4	-65.3	-41.5	0	0	0	113.3	Y457	Y457-D459 VanDerWaalsContact C-N 3.28Å; Y457-D459 PolarHBondContact O-N 2.89Å
460	H	94.6	Very high	96.2	Very high	83 Å²	83	51.7 Å²	51.7	38%	0.384	26%	0.262	S	S	.	.			trans	-74.4	131.2	-177.3	-160.3	-84.8	0	0	0	111.5	Y457 N462 I463	Y457-H460 HydrophobicContact CD1-CB 4.14Å; Y457-H460 VanDerWaalsContact O-CB 3.3Å; Y457-H460 WeakPolarHBondContact O-CB 3.44Å; Y457-H460 PolarHBondContact O-N 3.26Å; H460-N462 VanDerWaalsContact C-N 3.29Å; H460-N462 PolarHBondContact CE1-OD1 2.82Å; H460-N462 PolarHBondContact ND1-N 3.18Å; H460-N462 PolarHBondContact ND1-OD1 3.33Å; H460-N462 PolarHBondContact O-N 3.17Å; H460-I463 HydrophobicContact CB-CB 4.1Å; H460-I463 VanDerWaalsContact CE1-CD1 3.47Å; H460-I463 WeakPolarHBondContact CE1-CD1 3.47Å; H460-I463 WeakPolarHBondContact ND1-CG1 3.03Å; H460-I463 PolarHBondContact ND1-N 2.88Å
461	E	90.8	Very high	95.4	Very high	176 Å²	176	53.5 Å²	53.5	82%	0.822	27%	0.273	S	S	*	.	S	Bend	trans	-64.3	-30.6	-170.2	-66.3	-169.8	166.2	0	0	114	K429	K429-E461 PolarHBondContact NZ-O 2.93Å
462	N	93.6	Very high	94.9	Very high	60 Å²	60	50.6 Å²	50.6	32%	0.321	26%	0.258	S	S	.	.	S	Bend	trans	-132.7	7.1	-175.2	73.3	-4.5	0	0	0	115.4	K429 N430 H460	K429-N462 CarbonylContact C-O 3.59Å; K429-N462 WeakPolarHBondContact CA-O 3.4Å; N430-N462 WeakPolarHBondContact CB-O 3.38Å; N430-N462 PolarHBondContact N-O 3.08Å; N430-N462 PolarHBondContact ND2-ND2 2.81Å; H460-N462 VanDerWaalsContact C-N 3.29Å; H460-N462 PolarHBondContact CE1-OD1 2.82Å; H460-N462 PolarHBondContact ND1-N 3.18Å; H460-N462 PolarHBondContact ND1-OD1 3.33Å; H460-N462 PolarHBondContact O-N 3.17Å
463	I	97.4	Very high	94.4	Very high	14 Å²	14	46.2 Å²	46.2	7%	0.072	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	134.8	176.6	-67.9	169.4	0	0	0	108.6	N430 Y457 H460 I465 L512	N430-I463 HydrophobicContact CB-CG1 4.21Å; N430-I463 CarbonylContact O-C 3.44Å; N430-I463 WeakPolarHBondContact O-CA 3.45Å; Y457-I463 HydrophobicContact CD1-CB 4.12Å; Y457-I463 HydrophobicContact CD1-CD1 3.65Å; Y457-I463 HydrophobicContact CD1-CG1 4.49Å; Y457-I463 HydrophobicContact CD1-CG2 3.88Å; Y457-I463 HydrophobicContact CE1-CD1 3.63Å; Y457-I463 HydrophobicContact CG-CG2 4.05Å; H460-I463 HydrophobicContact CB-CB 4.1Å; H460-I463 VanDerWaalsContact CE1-CD1 3.47Å; H460-I463 WeakPolarHBondContact CE1-CD1 3.47Å; H460-I463 WeakPolarHBondContact ND1-CG1 3.03Å; H460-I463 PolarHBondContact ND1-N 2.88Å; I463-I465 HydrophobicContact CG2-CD1 3.99Å; I463-L512 HydrophobicContact CD1-CB 4.3Å; I463-L512 HydrophobicContact CG2-CD1 4.31Å; I463-L512 HydrophobicContact CG2-CD2 4.49Å
464	I	97.9	Very high	93.9	Very high	13 Å²	13	48.9 Å²	48.9	7%	0.067	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	125	174.6	-65.8	175.8	0	0	0	108.2	K413 V423 K429 N430 V431 F432 A466	K413-I464 HydrophobicContact CB-CG2 4.45Å; K413-I464 HydrophobicContact CD-CG2 3.61Å; K413-I464 HydrophobicContact CG-CG2 4.04Å; V423-I464 HydrophobicContact CG1-CD1 4.28Å; V423-I464 HydrophobicContact CG1-CG2 4.45Å; K429-I464 HydrophobicContact CB-CD1 3.94Å; K429-I464 HydrophobicContact CB-CG1 4.5Å; K429-I464 HydrophobicContact CD-CD1 4.07Å; K429-I464 HydrophobicContact CD-CG1 4.44Å; K429-I464 HydrophobicContact CG-CD1 3.81Å; N430-I464 PolarHBondContact O-N 2.97Å; V431-I464 WeakPolarHBondContact CA-O 3.43Å; V431-I464 HydrophobicContact CB-CB 4.48Å; V431-I464 HydrophobicContact CG1-CB 4.1Å; V431-I464 HydrophobicContact CG1-CG2 3.97Å; V431-I464 HydrophobicContact CG2-CB 4.22Å; V431-I464 HydrophobicContact CG2-CD1 4.34Å; F432-I464 PolarHBondContact N-O 3.08Å; I464-A466 HydrophobicContact CG2-CB 4.35Å
465	I	98.6	Very high	93.3	Very high	4 Å²	4	50 Å²	50	2%	0.021	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	129.8	167.5	-50.3	-53.9	0	0	0	107.9	V412 K413 F432 W450 L453 I463 L512	V412-I465 HydrophobicContact CG1-CG2 4.45Å; V412-I465 HydrophobicContact CG2-CG2 4.13Å; K413-I465 PolarHBondContact N-O 3.2Å; F432-I465 HydrophobicContact CB-CD1 4.04Å; F432-I465 HydrophobicContact CD1-CD1 4.3Å; W450-I465 HydrophobicContact CD2-CG2 4.33Å; W450-I465 HydrophobicContact CZ2-CG2 4.03Å; L453-I465 HydrophobicContact CD2-CD1 3.95Å; L453-I465 HydrophobicContact CD2-CG2 4.43Å; L453-I465 HydrophobicContact CG-CD1 3.99Å; L453-I465 HydrophobicContact CG-CG1 4.22Å; I463-I465 HydrophobicContact CG2-CD1 3.99Å; I465-L512 HydrophobicContact CD1-CD1 3.68Å
466	A	98.4	Very high	92.4	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	162.6	-176.2	0	0	0	0	0	112.5	K413 L415 V431 F432 I433 E434 W450 I464	K413-A466 HydrophobicContact CB-CB 4.2Å; K413-A466 CarbonylContact O-C 3.59Å; K413-A466 WeakPolarHBondContact O-CA 3.38Å; K413-A466 WeakPolarHBondContact O-CB 3.49Å; L415-A466 HydrophobicContact CD1-CB 3.82Å; L415-A466 HydrophobicContact CG-CB 3.97Å; V431-A466 HydrophobicContact CG1-CB 4.4Å; F432-A466 PolarHBondContact O-N 2.86Å; I433-A466 WeakPolarHBondContact CA-O 3.36Å; I433-A466 HydrophobicContact CG1-CB 4.28Å; E434-A466 PolarHBondContact N-O 3.25Å; W450-A466 WeakPolarHBondContact CZ2-O 3.45Å; W450-A466 PolarHBondContact NE1-O 3.45Å; I464-A466 HydrophobicContact CG2-CB 4.35Å
467	K	97.9	Very high	91.3	Very high	53 Å²	53	48.9 Å²	48.9	23%	0.23	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	149.2	173.2	65.4	-173.3	171.4	-163.6	0	111.4	V412 K413 L415 E434 Y436 D451	V412-K467 HydrophobicContact CG1-CB 4.2Å; V412-K467 HydrophobicContact CG1-CD 3.92Å; V412-K467 HydrophobicContact CG1-CG 3.88Å; K413-K467 PolarHBondContact O-N 3.31Å; L415-K467 PolarHBondContact N-O 2.87Å; E434-K467 HydrophobicContact CB-CB 4.36Å; E434-K467 CarbonylContact O-C 3.54Å; E434-K467 VanDerWaalsContact O-CA 3.28Å; E434-K467 WeakPolarHBondContact O-CA 3.21Å; Y436-K467 HydrophobicContact CD1-CB 4.13Å; Y436-K467 HydrophobicContact CE1-CB 3.98Å; Y436-K467 HydrophobicContact CE1-CD 4.19Å; Y436-K467 HydrophobicContact CE1-CG 4.05Å; D451-K467 IonicContact OD1-NZ 2.65Å
468	M	96.8	Very high	90.5	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	127.9	177.4	-175.3	169.9	100.6	0	0	110.3	L415 F420 E434 F435 Y436 A470 N473 V475 L478	L415-M468 HydrophobicContact CB-CB 4.2Å; L415-M468 HydrophobicContact CB-SD 4.49Å; L415-M468 WeakPolarHBondContact O-CG 3.31Å; F420-M468 HydrophobicContact CD2-CE 4.43Å; F420-M468 HydrophobicContact CD2-SD 3.63Å; F420-M468 HydrophobicContact CE2-SD 4.23Å; F420-M468 HydrophobicContact CG-SD 4.43Å; E434-M468 PolarHBondContact O-N 3.34Å; F435-M468 WeakPolarHBondContact CA-O 3.42Å; F435-M468 HydrophobicContact CD1-CB 3.9Å; F435-M468 HydrophobicContact CD1-CE 3.63Å; F435-M468 HydrophobicContact CD1-CG 4.4Å; F435-M468 HydrophobicContact CD1-SD 4.4Å; F435-M468 HydrophobicContact CE1-CB 4.07Å; F435-M468 HydrophobicContact CE1-CE 3.44Å; F435-M468 VanDerWaalsContact CE1-CE 3.44Å; F435-M468 HydrophobicContact CE1-CG 4.49Å; F435-M468 HydrophobicContact CE1-SD 4Å; Y436-M468 VanDerWaalsContact CD1-O 3.31Å; Y436-M468 WeakPolarHBondContact CD1-O 3.36Å; Y436-M468 VanDerWaalsContact CE1-C 3.47Å; Y436-M468 PolarHBondContact N-O 3.2Å; M468-A470 PolarHBondContact O-N 3.2Å; M468-A470 VanDerWaalsContact O-N 3.08Å; M468-N473 HydrophobicContact CE-CB 4.22Å; M468-N473 HydrophobicContact CG-CB 4.06Å; M468-N473 HydrophobicContact SD-CB 4.17Å; M468-V475 HydrophobicContact CE-CG2 3.84Å; M468-V475 HydrophobicContact SD-CG2 4.29Å; M468-L478 HydrophobicContact CE-CD2 3.98Å
469	D	93.9	Very high	89.8	Confident	17 Å²	17	52.9 Å²	52.9	9%	0.091	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	101.3	169	-175.1	-20	0	0	0	108.8	Y436 P438 T471 A472 N473	Y436-D469 HydrophobicContact CE1-CB 4.25Å; Y436-D469 HydrophobicContact CE2-CB 4.16Å; P438-D469 VanDerWaalsContact CD-OD2 3.27Å; P438-D469 WeakPolarHBondContact CD-OD2 3.28Å; P438-D469 WeakPolarHBondContact CG-OD2 3.49Å; D469-T471 PolarHBondContact O-N 3.15Å; D469-T471 WeakPolarHBondContact OD1-CA 3.04Å; D469-T471 VanDerWaalsContact OD1-CB 3.24Å; D469-T471 WeakPolarHBondContact OD1-CB 3.49Å; D469-T471 PolarHBondContact OD1-N 2.79Å; D469-T471 PolarHBondContact OD1-OG1 2.75Å; D469-A472 HydrophobicContact CB-CB 4.36Å; D469-A472 PolarHBondContact O-N 3.35Å; D469-A472 PolarHBondContact OD1-N 2.87Å; D469-N473 WeakPolarHBondContact O-CB 3.27Å; D469-N473 PolarHBondContact O-N 2.92Å; D469-N473 PolarHBondContact O-ND2 3.02Å
470	A	90.6	Very high	89.3	Confident	19 Å²	19	46.9 Å²	46.9	16%	0.157	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	5.6	-178.6	0	0	0	0	0	113	F435 Y436 M468 I480 F483	F435-A470 HydrophobicContact CB-CB 4.03Å; F435-A470 HydrophobicContact CD1-CB 4.35Å; Y436-A470 PolarHBondContact O-N 3.32Å; M468-A470 PolarHBondContact O-N 3.2Å; M468-A470 VanDerWaalsContact O-N 3.08Å; A470-I480 HydrophobicContact CB-CB 4.46Å; A470-I480 HydrophobicContact CB-CG1 4.04Å; A470-I480 HydrophobicContact CB-CG2 4.5Å; A470-F483 HydrophobicContact CB-CE1 3.78Å
471	T	81.8	Confident	88.5	Confident	38 Å²	38	48.8 Å²	48.8	23%	0.233	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-24.8	168.4	79.5	0	0	0	0	111.9	R399 A437 W439 D469 F483	R399-T471 PolarHBondContact NH1-O 3.27Å; A437-T471 HydrophobicContact CB-CG2 3.36Å; W439-T471 VanDerWaalsContact CH2-CB 3.44Å; W439-T471 HydrophobicContact CH2-CG2 3.45Å; W439-T471 VanDerWaalsContact CH2-CG2 3.45Å; W439-T471 WeakPolarHBondContact CH2-OG1 3.28Å; W439-T471 HydrophobicContact CZ2-CG2 3.51Å; W439-T471 HydrophobicContact CZ3-CG2 4.22Å; D469-T471 PolarHBondContact O-N 3.15Å; D469-T471 WeakPolarHBondContact OD1-CA 3.04Å; D469-T471 VanDerWaalsContact OD1-CB 3.24Å; D469-T471 WeakPolarHBondContact OD1-CB 3.49Å; D469-T471 PolarHBondContact OD1-N 2.79Å; D469-T471 PolarHBondContact OD1-OG1 2.75Å; T471-F483 HydrophobicContact CG2-CE1 4.38Å; T471-F483 HydrophobicContact CG2-CE2 4.44Å; T471-F483 HydrophobicContact CG2-CZ 3.98Å
472	A	86.3	Confident	88	Confident	6 Å²	6	41.9 Å²	41.9	5%	0.05	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-14.5	178.7	0	0	0	0	0	113.5	R399 E401 D469	R399-A472 VanDerWaalsContact CD-O 3.28Å; R399-A472 WeakPolarHBondContact CD-O 3.3Å; R399-A472 VanDerWaalsContact CG-O 3.28Å; R399-A472 WeakPolarHBondContact CG-O 3.43Å; R399-A472 PolarHBondContact NE-O 2.8Å; E401-A472 HydrophobicContact CG-CB 3.84Å; D469-A472 HydrophobicContact CB-CB 4.36Å; D469-A472 PolarHBondContact O-N 3.35Å; D469-A472 PolarHBondContact OD1-N 2.87Å
473	N	88.4	Confident	87.8	Confident	3 Å²	3	42.3 Å²	42.3	2%	0.016	25%	0.247	C	C	.	.			trans	-132.6	138.4	-175	-58.7	-86.3	0	0	0	112.1	R399 S400 E401 V416 G417 M468 D469	R399-N473 CarbonylContact O-C 3.6Å; R399-N473 WeakPolarHBondContact O-CA 3.35Å; S400-N473 VanDerWaalsContact CA-OD1 3.32Å; S400-N473 WeakPolarHBondContact CA-OD1 3.37Å; S400-N473 PolarHBondContact OG-OD1 3.19Å; E401-N473 PolarHBondContact N-OD1 3.06Å; E401-N473 PolarHBondContact OE2-ND2 2.76Å; V416-N473 WeakPolarHBondContact CA-OD1 3.5Å; V416-N473 VanDerWaalsContact CB-OD1 3.26Å; V416-N473 WeakPolarHBondContact CB-OD1 3.38Å; G417-N473 PolarHBondContact N-OD1 3.49Å; G417-N473 VanDerWaalsContact N-OD1 3.17Å; M468-N473 HydrophobicContact CE-CB 4.22Å; M468-N473 HydrophobicContact CG-CB 4.06Å; M468-N473 HydrophobicContact SD-CB 4.17Å; D469-N473 WeakPolarHBondContact O-CB 3.27Å; D469-N473 PolarHBondContact O-N 2.92Å; D469-N473 PolarHBondContact O-ND2 3.02Å
474	E	87.5	Confident	87.6	Confident	57 Å²	57	41.8 Å²	41.8	27%	0.266	25%	0.245	S	C	.	.			trans	-122.9	147.5	178.2	-64.3	170.8	154.2	0	0	109.8	K369 Y398 R399	K369-E474 IonicContact NZ-OE1 2.72Å; K369-E474 PolarHBondContact NZ-OE1 3.23Å; K369-E474 IonicContact NZ-OE2 2.71Å; Y398-E474 HydrophobicContact CD1-CB 4.14Å; R399-E474 HydrophobicContact CB-CB 4.47Å; R399-E474 HydrophobicContact CB-CG 4.09Å; R399-E474 WeakPolarHBondContact CB-OE2 3.43Å; R399-E474 PolarHBondContact N-OE2 2.71Å; R399-E474 PolarHBondContact O-N 2.86Å
475	V	84.7	Confident	87.5	Confident	23 Å²	23	42.6 Å²	42.6	14%	0.139	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-138.3	135.3	177.3	-179.9	0	0	0	0	108.7	F420 M468 S477 L478	F420-V475 HydrophobicContact CB-CG2 4Å; F420-V475 HydrophobicContact CD1-CB 4.34Å; F420-V475 HydrophobicContact CD1-CG1 3.62Å; F420-V475 HydrophobicContact CD1-CG2 3.84Å; F420-V475 HydrophobicContact CD2-CG2 4.13Å; F420-V475 HydrophobicContact CE1-CG1 3.82Å; F420-V475 HydrophobicContact CE1-CG2 4.38Å; F420-V475 HydrophobicContact CG-CG1 4.35Å; F420-V475 HydrophobicContact CG-CG2 3.7Å; M468-V475 HydrophobicContact CE-CG2 3.84Å; M468-V475 HydrophobicContact SD-CG2 4.29Å; V475-S477 VanDerWaalsContact C-N 3.32Å; V475-S477 PolarHBondContact O-N 2.59Å; V475-L478 HydrophobicContact CB-CB 4.03Å; V475-L478 PolarHBondContact O-N 3.37Å
476	E	79.4	Confident	87.5	Confident	137 Å²	137	42.7 Å²	42.7	64%	0.64	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.2	-44.7	-174	176.7	155.5	-125.5	0	0	115.3	Y398 L478	Y398-E476 HydrophobicContact CD2-CB 4.35Å; Y398-E476 VanDerWaalsContact CE1-CA 3.46Å; Y398-E476 HydrophobicContact CE1-CB 4.03Å; Y398-E476 HydrophobicContact CE2-CB 3.6Å; Y398-E476 HydrophobicContact CE2-CG 4.15Å; Y398-E476 VanDerWaalsContact CZ-CA 3.41Å; Y398-E476 VanDerWaalsContact CZ-CB 3.42Å; Y398-E476 WeakPolarHBondContact OH-CB 3.45Å; Y398-E476 WeakPolarHBondContact OH-CG 3.14Å; Y398-E476 PolarHBondContact OH-OE1 3.33Å; Y398-E476 VanDerWaalsContact OH-OE1 3.09Å; E476-L478 VanDerWaalsContact C-N 3.28Å; E476-L478 PolarHBondContact O-N 3.37Å
477	S	73.6	Confident	87.4	Confident	93 Å²	93	44.2 Å²	44.2	65%	0.65	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	6	-176.2	54.6	0	0	0	0	113.9	V475	V475-S477 VanDerWaalsContact C-N 3.32Å; V475-S477 PolarHBondContact O-N 2.59Å
478	L	81.1	Confident	87.3	Confident	20 Å²	20	41.8 Å²	41.8	11%	0.105	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-125.3	116.4	-167.9	-170.1	69.8	0	0	0	112.3	F435 M468 V475 E476 I480 K487	F435-L478 HydrophobicContact CD1-CD2 3.67Å; F435-L478 HydrophobicContact CD2-CD2 4.38Å; F435-L478 HydrophobicContact CE1-CD2 3.22Å; F435-L478 HydrophobicContact CE2-CD1 4.15Å; F435-L478 HydrophobicContact CE2-CD2 4Å; F435-L478 HydrophobicContact CG-CD2 4.22Å; F435-L478 HydrophobicContact CZ-CD1 4.18Å; F435-L478 HydrophobicContact CZ-CD2 3.39Å; F435-L478 HydrophobicContact CZ-CG 4.44Å; M468-L478 HydrophobicContact CE-CD2 3.98Å; V475-L478 HydrophobicContact CB-CB 4.03Å; V475-L478 PolarHBondContact O-N 3.37Å; E476-L478 VanDerWaalsContact C-N 3.28Å; E476-L478 PolarHBondContact O-N 3.37Å; L478-I480 HydrophobicContact CD1-CD1 3.69Å; L478-I480 HydrophobicContact CD2-CD1 3.87Å; L478-I480 HydrophobicContact CD2-CG1 3.97Å; L478-I480 HydrophobicContact CG-CD1 3.67Å; L478-I480 HydrophobicContact CG-CG1 3.94Å; L478-K487 HydrophobicContact CD1-CD 3.54Å; L478-K487 VanDerWaalsContact CD1-CE 3.42Å
479	V	78.4	Confident	87.3	Confident	128 Å²	128	42.1 Å²	42.1	78%	0.776	25%	0.249	S	C	*	.			trans	-112.4	109.4	170.3	-177.2	0	0	0	0	108.6
480	I	84.4	Confident	87.3	Confident	39 Å²	39	42.2 Å²	42.2	20%	0.2	25%	0.25	C	S	.	.			trans	-94.9	115.4	176.3	-57.1	-55.6	0	0	0	108.8	F435 A470 L478 G482 F483 T485	F435-I480 HydrophobicContact CB-CD1 3.92Å; F435-I480 HydrophobicContact CB-CG1 4.16Å; F435-I480 HydrophobicContact CD1-CD1 4.48Å; F435-I480 HydrophobicContact CD2-CD1 3.88Å; F435-I480 HydrophobicContact CG-CD1 3.82Å; F435-I480 HydrophobicContact CG-CG1 4.3Å; A470-I480 HydrophobicContact CB-CB 4.46Å; A470-I480 HydrophobicContact CB-CG1 4.04Å; A470-I480 HydrophobicContact CB-CG2 4.5Å; L478-I480 HydrophobicContact CD1-CD1 3.69Å; L478-I480 HydrophobicContact CD2-CD1 3.87Å; L478-I480 HydrophobicContact CD2-CG1 3.97Å; L478-I480 HydrophobicContact CG-CD1 3.67Å; L478-I480 HydrophobicContact CG-CG1 3.94Å; I480-G482 VanDerWaalsContact CG2-O 3.24Å; I480-G482 WeakPolarHBondContact CG2-O 3.36Å; I480-F483 HydrophobicContact CG2-CD1 3.92Å; I480-F483 HydrophobicContact CG2-CE1 3.55Å; I480-F483 HydrophobicContact CG2-CZ 4.08Å; I480-T485 HydrophobicContact CD1-CG2 3.74Å
481	S	76.6	Confident	87.4	Confident	124 Å²	124	42 Å²	42	87%	0.867	25%	0.248	S	C	*	.			trans	-102.2	-5.8	-178.6	57.4	0	0	0	0	113.9
482	G	81.6	Confident	87.8	Confident	30 Å²	30	47 Å²	47	31%	0.309	27%	0.269	S	S	.	.	S	Bend	trans	-167.3	164.6	178.9	0	0	0	0	0	112.1	I480 T485	I480-G482 VanDerWaalsContact CG2-O 3.24Å; I480-G482 WeakPolarHBondContact CG2-O 3.36Å; G482-T485 PolarHBondContact O-OG1 3.48Å
483	F	89.4	Confident	87.4	Confident	69 Å²	69	50 Å²	50	30%	0.303	30%	0.3	S	S	.	.	S	Bend	trans	-128.2	140.3	-175.4	-55.8	-77.6	0	0	0	111.8	A437 C440 A470 T471 I480	A437-F483 HydrophobicContact CB-CB 4.25Å; A437-F483 HydrophobicContact CB-CD1 4Å; A437-F483 HydrophobicContact CB-CD2 3.78Å; A437-F483 HydrophobicContact CB-CE1 4.26Å; A437-F483 HydrophobicContact CB-CE2 4.07Å; A437-F483 HydrophobicContact CB-CG 3.74Å; A437-F483 HydrophobicContact CB-CZ 4.3Å; C440-F483 HydrophobicContact CB-CB 4.24Å; C440-F483 PolarHBondContact SG-O 2.86Å; A470-F483 HydrophobicContact CB-CE1 3.78Å; T471-F483 HydrophobicContact CG2-CE1 4.38Å; T471-F483 HydrophobicContact CG2-CE2 4.44Å; T471-F483 HydrophobicContact CG2-CZ 3.98Å; I480-F483 HydrophobicContact CG2-CD1 3.92Å; I480-F483 HydrophobicContact CG2-CE1 3.55Å; I480-F483 HydrophobicContact CG2-CZ 4.08Å
484	P	92.9	Very high	87.3	Confident	4 Å²	4	55.8 Å²	55.8	3%	0.026	33%	0.325	C	S	.	.	S	Bend	cis	-72.1	145.8	-12.3	27.9	-30.6	0	0	0	110.9	E434 F435 L446 R503	E434-P484 HydrophobicContact CG-CB 4.13Å; F435-P484 WeakPolarHBondContact O-CA 3.35Å; L446-P484 HydrophobicContact CD2-CB 4.09Å; L446-P484 HydrophobicContact CD2-CG 3.84Å; P484-R503 VanDerWaalsContact CG-NH1 3.3Å; P484-R503 PolarHBondContact O-NH2 3.37Å
485	T	96.2	Very high	87.4	Confident	30 Å²	30	61.4 Å²	61.4	18%	0.184	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	133.7	163.8	-70.3	0	0	0	0	107.5	F435 I480 G482 K487	F435-T485 WeakPolarHBondContact CB-O 3.27Å; F435-T485 HydrophobicContact CD2-CG2 4.42Å; F435-T485 WeakPolarHBondContact CD2-O 3.42Å; F435-T485 PolarHBondContact N-O 3.13Å; F435-T485 PolarHBondContact O-N 3.37Å; I480-T485 HydrophobicContact CD1-CG2 3.74Å; G482-T485 PolarHBondContact O-OG1 3.48Å; T485-K487 HydrophobicContact CG2-CG 4.26Å
486	I	97.4	Very high	87.7	Confident	5 Å²	5	63.5 Å²	63.5	3%	0.026	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	128.9	-176.7	-56.5	171.2	0	0	0	108.4	F432 I433 L446 W450 Y499 R503 F508	F432-I486 HydrophobicContact CD2-CG2 4.1Å; F432-I486 HydrophobicContact CE1-CG2 4.1Å; F432-I486 HydrophobicContact CE2-CG2 3.38Å; F432-I486 HydrophobicContact CZ-CG2 3.38Å; I433-I486 WeakPolarHBondContact O-CA 3.43Å; L446-I486 HydrophobicContact CD2-CD1 3.79Å; L446-I486 HydrophobicContact CD2-CG1 4.44Å; W450-I486 HydrophobicContact CH2-CG2 3.65Å; W450-I486 HydrophobicContact CZ3-CD1 4.14Å; W450-I486 HydrophobicContact CZ3-CG2 4.01Å; I486-Y499 HydrophobicContact CB-CD1 4.37Å; I486-Y499 HydrophobicContact CD1-CD1 4.29Å; I486-Y499 HydrophobicContact CG2-CD1 4.34Å; I486-Y499 HydrophobicContact CG2-CG 4.27Å; I486-Y499 PolarHBondContact O-N 3.38Å; I486-R503 HydrophobicContact CD1-CG 4.35Å; I486-F508 HydrophobicContact CD1-CE1 3.87Å; I486-F508 HydrophobicContact CD1-CZ 3.79Å
487	K	96.1	Very high	88.4	Confident	32 Å²	32	59.2 Å²	59.2	14%	0.139	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	147.5	179	-62.6	-178.4	174.6	-96.8	0	111.3	F432 I433 F435 L478 T485 Y489 V496 V497 D498	F432-K487 WeakPolarHBondContact CD2-O 3.43Å; I433-K487 PolarHBondContact N-O 3.09Å; I433-K487 PolarHBondContact O-N 3Å; F435-K487 HydrophobicContact CD2-CG 4.48Å; F435-K487 HydrophobicContact CE2-CB 4.03Å; F435-K487 HydrophobicContact CE2-CD 3.97Å; F435-K487 HydrophobicContact CE2-CG 4.07Å; L478-K487 HydrophobicContact CD1-CD 3.54Å; L478-K487 VanDerWaalsContact CD1-CE 3.42Å; T485-K487 HydrophobicContact CG2-CG 4.26Å; K487-Y489 HydrophobicContact CB-CD2 4.44Å; K487-Y489 HydrophobicContact CB-CE2 3.74Å; K487-V496 HydrophobicContact CB-CG1 4.14Å; K487-V496 HydrophobicContact CD-CG1 4.27Å; K487-V497 WeakPolarHBondContact CA-O 3.35Å; K487-D498 VanDerWaalsContact CE-OD1 3.24Å; K487-D498 WeakPolarHBondContact CE-OD1 3.39Å; K487-D498 WeakPolarHBondContact CG-OD1 3.35Å; K487-D498 IonicContact NZ-OD1 3.86Å; K487-D498 PolarHBondContact NZ-OD1 3.15Å; K487-D498 IonicContact NZ-OD2 3.37Å
488	Y	96.6	Very high	89.3	Confident	2 Å²	2	59 Å²	59	1%	0.008	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	125.9	175.1	178.9	-112	0	0	0	110	N430 F432 P490 V496 V497 F511 L512	N430-Y488 HydrophobicContact CB-CE2 3.8Å; N430-Y488 VanDerWaalsContact CB-OH 3.3Å; N430-Y488 WeakPolarHBondContact CB-OH 3.35Å; N430-Y488 PolarHBondContact OD1-OH 3.26Å; N430-Y488 VanDerWaalsContact OD1-OH 3.05Å; F432-Y488 HydrophobicContact CB-CD2 4.24Å; F432-Y488 HydrophobicContact CD2-CD2 4.01Å; F432-Y488 HydrophobicContact CD2-CG 4.38Å; F432-Y488 HydrophobicContact CG-CD2 4.47Å; Y488-P490 HydrophobicContact CD1-CB 4.26Å; Y488-P490 HydrophobicContact CD1-CG 3.76Å; Y488-P490 HydrophobicContact CE1-CB 3.64Å; Y488-P490 HydrophobicContact CE1-CG 3.62Å; Y488-P490 WeakPolarHBondContact O-CD 3.42Å; Y488-V496 WeakPolarHBondContact O-CA 3.36Å; Y488-V496 WeakPolarHBondContact O-CG1 3.26Å; Y488-V497 HydrophobicContact CD1-CB 4.4Å; Y488-V497 HydrophobicContact CD1-CG2 4.35Å; Y488-V497 PolarHBondContact N-O 3.13Å; Y488-V497 PolarHBondContact O-N 3.09Å; Y488-F511 HydrophobicContact CD1-CE1 4.25Å; Y488-F511 HydrophobicContact CD1-CZ 4.08Å; Y488-F511 HydrophobicContact CD2-CE1 4.04Å; Y488-F511 AromaticContact CG-CE1 3.75Å; Y488-F511 HydrophobicContact CG-CE1 3.75Å; Y488-F511 AromaticContact CG-CZ 3.93Å; Y488-F511 HydrophobicContact CG-CZ 3.93Å; Y488-L512 HydrophobicContact CD2-CD2 4.02Å; Y488-L512 HydrophobicContact CE2-CD2 3.84Å
489	Y	95.6	Very high	90	Very high	9 Å²	9	58.8 Å²	58.8	4%	0.035	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	99.3	177.4	-65.7	-99.5	0	0	0	107.5	F420 A424 L425 N430 V431 I433 F435 K487 V496	F420-Y489 HydrophobicContact CE1-CE1 4.39Å; F420-Y489 HydrophobicContact CZ-CE1 4.07Å; F420-Y489 HydrophobicContact CZ-CE2 4.14Å; F420-Y489 AromaticContact CZ-CZ 3.66Å; A424-Y489 HydrophobicContact CB-CD1 4.37Å; A424-Y489 HydrophobicContact CB-CD2 4.48Å; A424-Y489 HydrophobicContact CB-CG 4.3Å; A424-Y489 WeakPolarHBondContact O-CB 3.32Å; L425-Y489 HydrophobicContact CD2-CD1 3.61Å; L425-Y489 HydrophobicContact CD2-CE1 3.99Å; N430-Y489 CarbonylContact C-O 3.59Å; N430-Y489 WeakPolarHBondContact CA-O 3.31Å; V431-Y489 PolarHBondContact N-O 3.25Å; V431-Y489 PolarHBondContact O-N 3.42Å; I433-Y489 HydrophobicContact CD1-CD2 3.58Å; I433-Y489 HydrophobicContact CD1-CE2 3.6Å; I433-Y489 HydrophobicContact CD1-CG 4.49Å; I433-Y489 HydrophobicContact CG1-CD2 4.02Å; I433-Y489 HydrophobicContact CG1-CE2 4.18Å; F435-Y489 HydrophobicContact CE2-CE2 4.42Å; F435-Y489 HydrophobicContact CZ-CE2 4.31Å; K487-Y489 HydrophobicContact CB-CD2 4.44Å; K487-Y489 HydrophobicContact CB-CE2 3.74Å; Y489-V496 HydrophobicContact CD1-CB 4.43Å; Y489-V496 HydrophobicContact CD1-CG1 4.05Å; Y489-V496 HydrophobicContact CD1-CG2 3.52Å; Y489-V496 HydrophobicContact CD2-CG1 4.42Å; Y489-V496 HydrophobicContact CE1-CB 4.35Å; Y489-V496 HydrophobicContact CE1-CG1 3.78Å; Y489-V496 HydrophobicContact CE1-CG2 3.54Å; Y489-V496 HydrophobicContact CE2-CG1 4.16Å; Y489-V496 HydrophobicContact CG-CG1 4.35Å; Y489-V496 HydrophobicContact CG-CG2 4.38Å
490	P	94.6	Very high	90.7	Very high	19 Å²	19	58.1 Å²	58.1	12%	0.123	33%	0.333	C	S	.	.			trans	-74.6	153.8	-176.1	-4	18.7	0	0	0	111.5	Y488 K494 E495	Y488-P490 HydrophobicContact CD1-CB 4.26Å; Y488-P490 HydrophobicContact CD1-CG 3.76Å; Y488-P490 HydrophobicContact CE1-CB 3.64Å; Y488-P490 HydrophobicContact CE1-CG 3.62Å; Y488-P490 WeakPolarHBondContact O-CD 3.42Å; P490-K494 HydrophobicContact CB-CB 3.97Å; P490-K494 HydrophobicContact CB-CD 4.44Å; P490-K494 HydrophobicContact CG-CB 3.94Å; P490-E495 WeakPolarHBondContact CD-O 3.48Å; P490-E495 WeakPolarHBondContact CG-O 3.47Å
491	A	93.2	Very high	91	Very high	14 Å²	14	57.4 Å²	57.4	12%	0.116	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-58.3	165.7	169.6	0	0	0	0	0	111.4	P427 K429 N430 G493	P427-A491 WeakPolarHBondContact O-CB 3.34Å; K429-A491 WeakPolarHBondContact O-CA 3.29Å; K429-A491 PolarHBondContact O-N 2.98Å; N430-A491 WeakPolarHBondContact OD1-CB 3.24Å; N430-A491 PolarHBondContact OD1-N 2.85Å; A491-G493 PolarHBondContact O-N 3.13Å
492	E	89.3	Confident	91.8	Very high	144 Å²	144	56.1 Å²	56.1	67%	0.673	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	65.5	13.1	179.2	-49	172.4	157.1	0	0	114.2	P427 K494	P427-E492 PolarHBondContact O-N 3.29Å; E492-K494 VanDerWaalsContact C-N 3.33Å; E492-K494 PolarHBondContact O-N 3.28Å; E492-K494 WeakPolarHBondContact OE2-CE 3.16Å; E492-K494 IonicContact OE2-NZ 3.5Å; E492-K494 PolarHBondContact OE2-NZ 3Å
493	G	77.6	Confident	92.5	Very high	68 Å²	68	60 Å²	60	70%	0.701	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	69.8	27.5	176.9	0	0	0	0	0	113.9	A491	A491-G493 PolarHBondContact O-N 3.13Å
494	K	86.4	Confident	92.7	Very high	125 Å²	125	59.2 Å²	59.2	54%	0.543	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-65.7	164	172.9	-64.6	172.5	-176.4	154.9	0	110.8	P490 E492 V496	P490-K494 HydrophobicContact CB-CB 3.97Å; P490-K494 HydrophobicContact CB-CD 4.44Å; P490-K494 HydrophobicContact CG-CB 3.94Å; E492-K494 VanDerWaalsContact C-N 3.33Å; E492-K494 PolarHBondContact O-N 3.28Å; E492-K494 WeakPolarHBondContact OE2-CE 3.16Å; E492-K494 IonicContact OE2-NZ 3.5Å; E492-K494 PolarHBondContact OE2-NZ 3Å; K494-V496 PolarHBondContact O-N 3.2Å
495	E	89.4	Confident	92.8	Very high	175 Å²	175	61.6 Å²	61.6	82%	0.818	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-58.3	138.9	-179.8	-69.3	-170	161.6	0	0	111.8	P490	P490-E495 WeakPolarHBondContact CD-O 3.48Å; P490-E495 WeakPolarHBondContact CG-O 3.47Å
496	V	92.9	Very high	92.8	Very high	67 Å²	67	66 Å²	66	41%	0.406	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-67.7	131.7	177.2	-178.6	0	0	0	0	108.8	K487 Y488 Y489 K494	K487-V496 HydrophobicContact CB-CG1 4.14Å; K487-V496 HydrophobicContact CD-CG1 4.27Å; Y488-V496 WeakPolarHBondContact O-CA 3.36Å; Y488-V496 WeakPolarHBondContact O-CG1 3.26Å; Y489-V496 HydrophobicContact CD1-CB 4.43Å; Y489-V496 HydrophobicContact CD1-CG1 4.05Å; Y489-V496 HydrophobicContact CD1-CG2 3.52Å; Y489-V496 HydrophobicContact CD2-CG1 4.42Å; Y489-V496 HydrophobicContact CE1-CB 4.35Å; Y489-V496 HydrophobicContact CE1-CG1 3.78Å; Y489-V496 HydrophobicContact CE1-CG2 3.54Å; Y489-V496 HydrophobicContact CE2-CG1 4.16Å; Y489-V496 HydrophobicContact CG-CG1 4.35Å; Y489-V496 HydrophobicContact CG-CG2 4.38Å; K494-V496 PolarHBondContact O-N 3.2Å
497	V	93.1	Very high	92.7	Very high	46 Å²	46	66.9 Å²	66.9	28%	0.279	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	126.8	-178	-177	0	0	0	0	109.8	K487 Y488 F511	K487-V497 WeakPolarHBondContact CA-O 3.35Å; Y488-V497 HydrophobicContact CD1-CB 4.4Å; Y488-V497 HydrophobicContact CD1-CG2 4.35Å; Y488-V497 PolarHBondContact N-O 3.13Å; Y488-V497 PolarHBondContact O-N 3.09Å; V497-F511 HydrophobicContact CG1-CE2 4.31Å; V497-F511 HydrophobicContact CG1-CZ 4.22Å
498	D	93.1	Very high	92.7	Very high	90 Å²	90	65.3 Å²	65.3	48%	0.481	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	121.5	167.7	-77.7	-32.8	0	0	0	109.8	K487 T500	K487-D498 VanDerWaalsContact CE-OD1 3.24Å; K487-D498 WeakPolarHBondContact CE-OD1 3.39Å; K487-D498 WeakPolarHBondContact CG-OD1 3.35Å; K487-D498 IonicContact NZ-OD1 3.86Å; K487-D498 PolarHBondContact NZ-OD1 3.15Å; K487-D498 IonicContact NZ-OD2 3.37Å; D498-T500 PolarHBondContact O-N 3.24Å
499	Y	94.6	Very high	92.7	Very high	15 Å²	15	65.4 Å²	65.4	6%	0.059	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-84.5	116.2	178	-177.9	-89.9	0	0	0	110.5	F432 I486 G501 N502 T507 F508 F511 L518	F432-Y499 HydrophobicContact CE2-CD2 4.15Å; F432-Y499 HydrophobicContact CE2-CG 4.14Å; F432-Y499 HydrophobicContact CZ-CD1 4.44Å; F432-Y499 AromaticContact CZ-CD2 3.83Å; F432-Y499 HydrophobicContact CZ-CD2 3.83Å; F432-Y499 HydrophobicContact CZ-CE2 4.32Å; F432-Y499 AromaticContact CZ-CG 3.88Å; F432-Y499 HydrophobicContact CZ-CG 3.88Å; I486-Y499 HydrophobicContact CB-CD1 4.37Å; I486-Y499 HydrophobicContact CD1-CD1 4.29Å; I486-Y499 HydrophobicContact CG2-CD1 4.34Å; I486-Y499 HydrophobicContact CG2-CG 4.27Å; I486-Y499 PolarHBondContact O-N 3.38Å; Y499-G501 VanDerWaalsContact CE1-C 3.49Å; Y499-G501 WeakPolarHBondContact CE1-O 3.45Å; Y499-N502 PolarHBondContact OH-O 3.28Å; Y499-T507 VanDerWaalsContact OH-CG2 3.23Å; Y499-T507 WeakPolarHBondContact OH-CG2 3.36Å; Y499-F508 HydrophobicContact CD1-CD1 4.41Å; Y499-F508 AromaticContact CD1-CE1 3.82Å; Y499-F508 HydrophobicContact CD1-CE1 3.82Å; Y499-F508 AromaticContact CE1-CD1 3.72Å; Y499-F508 HydrophobicContact CE1-CD1 3.72Å; Y499-F508 AromaticContact CE1-CE1 3.26Å; Y499-F508 HydrophobicContact CE1-CE1 3.26Å; Y499-F508 HydrophobicContact CE1-CZ 4.3Å; Y499-F508 HydrophobicContact CE2-CD1 4.03Å; Y499-F508 HydrophobicContact CE2-CE1 4.37Å; Y499-F508 AromaticContact CZ-CD1 3.49Å; Y499-F508 VanDerWaalsContact CZ-CD1 3.49Å; Y499-F508 AromaticContact CZ-CE1 3.58Å; Y499-F508 WeakPolarHBondContact OH-CD1 3.4Å; Y499-F511 HydrophobicContact CD2-CB 4.48Å; Y499-F511 AromaticContact CD2-CD1 3.86Å; Y499-F511 HydrophobicContact CD2-CD1 3.86Å; Y499-F511 AromaticContact CD2-CD2 3.93Å; Y499-F511 HydrophobicContact CD2-CD2 3.93Å; Y499-F511 HydrophobicContact CD2-CE1 4.02Å; Y499-F511 HydrophobicContact CD2-CE2 4.05Å; Y499-F511 AromaticContact CD2-CG 3.82Å; Y499-F511 HydrophobicContact CD2-CG 3.82Å; Y499-F511 HydrophobicContact CD2-CZ 4.1Å; Y499-F511 HydrophobicContact CE2-CB 3.88Å; Y499-F511 HydrophobicContact CE2-CD1 4.06Å; Y499-F511 HydrophobicContact CE2-CD2 4.03Å; Y499-F511 AromaticContact CE2-CG 3.72Å; Y499-F511 HydrophobicContact CE2-CG 3.72Å; Y499-L518 HydrophobicContact CD2-CD2 3.83Å; Y499-L518 HydrophobicContact CE2-CD2 3.66Å
500	T	93	Very high	92.7	Very high	113 Å²	113	69.9 Å²	69.9	69%	0.693	37%	0.373	S	S	*	.			trans	-116.4	4.8	-179.2	61	0	0	0	0	113.5	D498 L518	D498-T500 PolarHBondContact O-N 3.24Å; T500-L518 WeakPolarHBondContact OG1-CD1 3.02Å
501	G	92.1	Very high	92.8	Very high	24 Å²	24	69 Å²	69	25%	0.247	37%	0.367	C	S	.	.	S	Bend	trans	-77.4	-178.8	-179.9	0	0	0	0	0	114	Y499	Y499-G501 VanDerWaalsContact CE1-C 3.49Å; Y499-G501 WeakPolarHBondContact CE1-O 3.45Å
502	N	93.7	Very high	92.9	Very high	98 Å²	98	68.6 Å²	68.6	52%	0.524	36%	0.363	S	S	.	.			trans	-61.8	144.4	176.6	-68.8	-29.1	0	0	0	111.8	Y499 D504 T507	Y499-N502 PolarHBondContact OH-O 3.28Å; N502-D504 VanDerWaalsContact C-N 3.3Å; N502-D504 WeakPolarHBondContact CB-OD2 3.46Å; N502-D504 PolarHBondContact O-N 2.99Å; N502-T507 HydrophobicContact CB-CG2 4.26Å
503	R	94.6	Very high	93.1	Very high	110 Å²	110	66.8 Å²	66.8	42%	0.415	36%	0.358	S	S	.	.			trans	-96.1	48.7	-172.7	-63.9	178.3	179	175.9	-7.9	112.2	L446 I449 P484 I486 F508	L446-R503 HydrophobicContact CD1-CB 4.16Å; I449-R503 WeakPolarHBondContact CD1-O 3.3Å; P484-R503 VanDerWaalsContact CG-NH1 3.3Å; P484-R503 PolarHBondContact O-NH2 3.37Å; I486-R503 HydrophobicContact CD1-CG 4.35Å; R503-F508 HydrophobicContact CB-CE2 4.43Å; R503-F508 HydrophobicContact CB-CZ 3.95Å; R503-F508 HydrophobicContact CG-CZ 4.19Å
504	D	95.3	Very high	93.8	Very high	54 Å²	54	66.4 Å²	66.4	29%	0.289	35%	0.345	S	S	.	.	S	Bend	trans	-119.3	158.5	178.1	65.2	75.1	0	0	0	111.4	N502 E506 T507 F508	N502-D504 VanDerWaalsContact C-N 3.3Å; N502-D504 WeakPolarHBondContact CB-OD2 3.46Å; N502-D504 PolarHBondContact O-N 2.99Å; D504-E506 VanDerWaalsContact C-N 3.26Å; D504-E506 PolarHBondContact O-N 3.43Å; D504-E506 WeakPolarHBondContact OD1-CB 3.46Å; D504-E506 PolarHBondContact OD1-N 2.92Å; D504-E506 VanDerWaalsContact OD1-N 3.11Å; D504-T507 PolarHBondContact O-N 3.28Å; D504-T507 WeakPolarHBondContact OD1-CB 3.49Å; D504-T507 PolarHBondContact OD1-N 3.16Å; D504-T507 PolarHBondContact OD1-OG1 2.91Å; D504-T507 PolarHBondContact OD2-OG1 3.4Å; D504-F508 WeakPolarHBondContact O-CD2 3.18Å; D504-F508 WeakPolarHBondContact O-CG 3.44Å; D504-F508 PolarHBondContact O-N 3.02Å
505	L	94.9	Very high	93.8	Very high	54 Å²	54	62.7 Å²	62.7	28%	0.283	34%	0.342	S	S	.	.	H	α-helix	trans	-59.5	-35.7	-174.9	-177.6	63.9	0	0	0	112.7	I449 Q452 L453 S509	I449-L505 HydrophobicContact CG2-CB 4.27Å; Q452-L505 HydrophobicContact CB-CD1 4.23Å; Q452-L505 HydrophobicContact CB-CD2 4.26Å; L453-L505 HydrophobicContact CB-CD1 3.92Å; L453-L505 HydrophobicContact CD1-CD1 3.82Å; L505-S509 WeakPolarHBondContact O-CB 3.46Å; L505-S509 PolarHBondContact O-N 2.97Å; L505-S509 PolarHBondContact O-OG 3.2Å
506	E	95.4	Very high	93.7	Very high	121 Å²	121	54.9 Å²	54.9	57%	0.565	31%	0.308	S	S	*	.	H	α-helix	trans	-68.4	-50.1	-177.5	-173.2	-174.3	153.8	0	0	110.7	D504 S509 K510	D504-E506 VanDerWaalsContact C-N 3.26Å; D504-E506 PolarHBondContact O-N 3.43Å; D504-E506 WeakPolarHBondContact OD1-CB 3.46Å; D504-E506 PolarHBondContact OD1-N 2.92Å; D504-E506 VanDerWaalsContact OD1-N 3.11Å; E506-S509 WeakPolarHBondContact O-CB 3.3Å; E506-S509 PolarHBondContact O-N 3.23Å; E506-K510 HydrophobicContact CG-CD 4.35Å; E506-K510 WeakPolarHBondContact O-CG 3.2Å; E506-K510 PolarHBondContact O-N 2.68Å; E506-K510 WeakPolarHBondContact OE1-CE 3.39Å; E506-K510 IonicContact OE1-NZ 2.87Å; E506-K510 PolarHBondContact OE1-NZ 3.32Å
507	T	95	Very high	93.4	Very high	24 Å²	24	56.3 Å²	56.3	15%	0.147	32%	0.317	C	S	.	.	H	α-helix	trans	-66.3	-42.4	-178.7	-51.6	0	0	0	0	111.1	Y499 N502 D504 S509 K510 F511	Y499-T507 VanDerWaalsContact OH-CG2 3.23Å; Y499-T507 WeakPolarHBondContact OH-CG2 3.36Å; N502-T507 HydrophobicContact CB-CG2 4.26Å; D504-T507 PolarHBondContact O-N 3.28Å; D504-T507 WeakPolarHBondContact OD1-CB 3.49Å; D504-T507 PolarHBondContact OD1-N 3.16Å; D504-T507 PolarHBondContact OD1-OG1 2.91Å; D504-T507 PolarHBondContact OD2-OG1 3.4Å; T507-S509 VanDerWaalsContact C-N 3.31Å; T507-S509 PolarHBondContact O-N 2.89Å; T507-K510 PolarHBondContact O-N 2.81Å; T507-F511 WeakPolarHBondContact O-CB 3.4Å; T507-F511 PolarHBondContact O-N 2.91Å
508	F	97.1	Very high	92.7	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-58.7	-43.8	173.1	-70.9	-43.2	0	0	0	112.1	F432 L446 I449 W450 L453 I486 Y499 R503 D504 F511 L512	F432-F508 HydrophobicContact CE1-CB 4.41Å; F432-F508 AromaticContact CE1-CD1 3.57Å; F432-F508 HydrophobicContact CE1-CD1 3.57Å; F432-F508 HydrophobicContact CE1-CE1 4.03Å; F432-F508 HydrophobicContact CE1-CG 4.15Å; F432-F508 AromaticContact CZ-CD1 3.76Å; F432-F508 HydrophobicContact CZ-CD1 3.76Å; F432-F508 HydrophobicContact CZ-CE1 4.02Å; L446-F508 HydrophobicContact CD1-CE2 3.75Å; L446-F508 HydrophobicContact CD1-CZ 3.9Å; I449-F508 HydrophobicContact CG2-CD2 4.09Å; I449-F508 HydrophobicContact CG2-CE2 3.96Å; W450-F508 HydrophobicContact CE3-CE2 4.12Å; W450-F508 HydrophobicContact CE3-CZ 4.16Å; W450-F508 HydrophobicContact CZ3-CD1 4.46Å; W450-F508 HydrophobicContact CZ3-CE1 4.01Å; W450-F508 HydrophobicContact CZ3-CE2 4.19Å; W450-F508 AromaticContact CZ3-CZ 3.88Å; W450-F508 HydrophobicContact CZ3-CZ 3.88Å; L453-F508 HydrophobicContact CD1-CB 3.77Å; L453-F508 HydrophobicContact CD2-CB 3.77Å; L453-F508 HydrophobicContact CD2-CD2 4.13Å; L453-F508 HydrophobicContact CD2-CG 4.02Å; L453-F508 HydrophobicContact CG-CB 4.42Å; I486-F508 HydrophobicContact CD1-CE1 3.87Å; I486-F508 HydrophobicContact CD1-CZ 3.79Å; Y499-F508 HydrophobicContact CD1-CD1 4.41Å; Y499-F508 AromaticContact CD1-CE1 3.82Å; Y499-F508 HydrophobicContact CD1-CE1 3.82Å; Y499-F508 AromaticContact CE1-CD1 3.72Å; Y499-F508 HydrophobicContact CE1-CD1 3.72Å; Y499-F508 AromaticContact CE1-CE1 3.26Å; Y499-F508 HydrophobicContact CE1-CE1 3.26Å; Y499-F508 HydrophobicContact CE1-CZ 4.3Å; Y499-F508 HydrophobicContact CE2-CD1 4.03Å; Y499-F508 HydrophobicContact CE2-CE1 4.37Å; Y499-F508 AromaticContact CZ-CD1 3.49Å; Y499-F508 VanDerWaalsContact CZ-CD1 3.49Å; Y499-F508 AromaticContact CZ-CE1 3.58Å; Y499-F508 WeakPolarHBondContact OH-CD1 3.4Å; R503-F508 HydrophobicContact CB-CE2 4.43Å; R503-F508 HydrophobicContact CB-CZ 3.95Å; R503-F508 HydrophobicContact CG-CZ 4.19Å; D504-F508 WeakPolarHBondContact O-CD2 3.18Å; D504-F508 WeakPolarHBondContact O-CG 3.44Å; D504-F508 PolarHBondContact O-N 3.02Å; F508-F511 PolarHBondContact O-N 2.72Å; F508-L512 WeakPolarHBondContact O-CG 3.44Å; F508-L512 PolarHBondContact O-N 2.83Å
509	S	95.9	Very high	91.3	Very high	4 Å²	4	55.6 Å²	55.6	3%	0.028	31%	0.314	C	S	.	.	H	α-helix	trans	-63.2	-47.4	179	-59.4	0	0	0	0	111.5	K456 Y457 L505 E506 T507 F511 L512 D513	K456-S509 PolarHBondContact NZ-OG 2.93Å; Y457-S509 VanDerWaalsContact OH-CA 3.32Å; Y457-S509 WeakPolarHBondContact OH-CA 3.38Å; Y457-S509 PolarHBondContact OH-O 3.14Å; L505-S509 WeakPolarHBondContact O-CB 3.46Å; L505-S509 PolarHBondContact O-N 2.97Å; L505-S509 PolarHBondContact O-OG 3.2Å; E506-S509 WeakPolarHBondContact O-CB 3.3Å; E506-S509 PolarHBondContact O-N 3.23Å; T507-S509 VanDerWaalsContact C-N 3.31Å; T507-S509 PolarHBondContact O-N 2.89Å; S509-F511 VanDerWaalsContact C-N 3.29Å; S509-F511 PolarHBondContact O-N 2.63Å; S509-L512 PolarHBondContact O-N 3.48Å; S509-D513 VanDerWaalsContact O-CB 3.3Å; S509-D513 WeakPolarHBondContact O-CB 3.48Å; S509-D513 PolarHBondContact O-N 3.49Å
510	K	95.1	Very high	89.8	Confident	103 Å²	103	63.9 Å²	63.9	45%	0.448	35%	0.353	S	S	.	.	H	α-helix	trans	-58.9	-41	177.3	-75	172.8	169.6	170.6	0	112	E506 T507 S514 P519	E506-K510 HydrophobicContact CG-CD 4.35Å; E506-K510 WeakPolarHBondContact O-CG 3.2Å; E506-K510 PolarHBondContact O-N 2.68Å; E506-K510 WeakPolarHBondContact OE1-CE 3.39Å; E506-K510 IonicContact OE1-NZ 2.87Å; E506-K510 PolarHBondContact OE1-NZ 3.32Å; T507-K510 PolarHBondContact O-N 2.81Å; K510-S514 VanDerWaalsContact O-CB 3.29Å; K510-S514 WeakPolarHBondContact O-CB 3.3Å; K510-S514 PolarHBondContact O-N 3.32Å; K510-S514 VanDerWaalsContact O-N 3.08Å; K510-S514 PolarHBondContact O-OG 3.47Å; K510-P519 HydrophobicContact CB-CG 3.86Å; K510-P519 HydrophobicContact CD-CG 4.49Å
511	F	96.1	Very high	87.9	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-62.9	-45.3	176.1	172.7	-98.2	0	0	0	112.1	F432 Y488 V497 Y499 T507 F508 S509 S514 G516 L518	F432-F511 HydrophobicContact CD2-CE1 4.09Å; F432-F511 HydrophobicContact CE2-CD1 4.06Å; F432-F511 AromaticContact CE2-CE1 3.63Å; F432-F511 HydrophobicContact CE2-CE1 3.63Å; F432-F511 HydrophobicContact CZ-CD1 4.09Å; F432-F511 HydrophobicContact CZ-CE1 4.13Å; Y488-F511 HydrophobicContact CD1-CE1 4.25Å; Y488-F511 HydrophobicContact CD1-CZ 4.08Å; Y488-F511 HydrophobicContact CD2-CE1 4.04Å; Y488-F511 AromaticContact CG-CE1 3.75Å; Y488-F511 HydrophobicContact CG-CE1 3.75Å; Y488-F511 AromaticContact CG-CZ 3.93Å; Y488-F511 HydrophobicContact CG-CZ 3.93Å; V497-F511 HydrophobicContact CG1-CE2 4.31Å; V497-F511 HydrophobicContact CG1-CZ 4.22Å; Y499-F511 HydrophobicContact CD2-CB 4.48Å; Y499-F511 AromaticContact CD2-CD1 3.86Å; Y499-F511 HydrophobicContact CD2-CD1 3.86Å; Y499-F511 AromaticContact CD2-CD2 3.93Å; Y499-F511 HydrophobicContact CD2-CD2 3.93Å; Y499-F511 HydrophobicContact CD2-CE1 4.02Å; Y499-F511 HydrophobicContact CD2-CE2 4.05Å; Y499-F511 AromaticContact CD2-CG 3.82Å; Y499-F511 HydrophobicContact CD2-CG 3.82Å; Y499-F511 HydrophobicContact CD2-CZ 4.1Å; Y499-F511 HydrophobicContact CE2-CB 3.88Å; Y499-F511 HydrophobicContact CE2-CD1 4.06Å; Y499-F511 HydrophobicContact CE2-CD2 4.03Å; Y499-F511 AromaticContact CE2-CG 3.72Å; Y499-F511 HydrophobicContact CE2-CG 3.72Å; T507-F511 WeakPolarHBondContact O-CB 3.4Å; T507-F511 PolarHBondContact O-N 2.91Å; F508-F511 PolarHBondContact O-N 2.72Å; S509-F511 VanDerWaalsContact C-N 3.29Å; S509-F511 PolarHBondContact O-N 2.63Å; F511-S514 PolarHBondContact O-OG 3.23Å; F511-G516 VanDerWaalsContact CE2-CA 3.49Å; F511-G516 WeakPolarHBondContact CE2-O 2.74Å; F511-G516 VanDerWaalsContact CZ-CA 3.47Å; F511-G516 WeakPolarHBondContact O-CA 3.4Å; F511-G516 PolarHBondContact O-N 2.62Å; F511-L518 HydrophobicContact CD2-CD2 3.79Å; F511-L518 HydrophobicContact CD2-CG 4.11Å; F511-L518 HydrophobicContact CE2-CD2 4.18Å; F511-L518 HydrophobicContact CE2-CG 4.21Å
512	L	95.8	Very high	85.5	Confident	5 Å²	5	74.1 Å²	74.1	3%	0.026	39%	0.387	C	S	.	.	H	α-helix	trans	-69.1	-44.3	178.8	-68.8	174.1	0	0	0	112.3	F432 L453 Y457 I463 I465 Y488 F508 S509 S514 G515	F432-L512 HydrophobicContact CB-CD2 3.88Å; F432-L512 HydrophobicContact CD1-CD1 4.13Å; F432-L512 HydrophobicContact CD1-CD2 4.03Å; F432-L512 HydrophobicContact CD1-CG 4.34Å; F432-L512 HydrophobicContact CD2-CD2 4.45Å; F432-L512 HydrophobicContact CG-CD2 3.9Å; L453-L512 HydrophobicContact CD1-CD1 4.1Å; L453-L512 HydrophobicContact CD2-CD1 4.21Å; L453-L512 HydrophobicContact CG-CD1 4.36Å; Y457-L512 HydrophobicContact CD2-CD1 4.04Å; Y457-L512 HydrophobicContact CE1-CB 4.29Å; Y457-L512 HydrophobicContact CE1-CD1 4.47Å; Y457-L512 HydrophobicContact CE2-CD1 3.76Å; I463-L512 HydrophobicContact CD1-CB 4.3Å; I463-L512 HydrophobicContact CG2-CD1 4.31Å; I463-L512 HydrophobicContact CG2-CD2 4.49Å; I465-L512 HydrophobicContact CD1-CD1 3.68Å; Y488-L512 HydrophobicContact CD2-CD2 4.02Å; Y488-L512 HydrophobicContact CE2-CD2 3.84Å; F508-L512 WeakPolarHBondContact O-CG 3.44Å; F508-L512 PolarHBondContact O-N 2.83Å; S509-L512 PolarHBondContact O-N 3.48Å; L512-S514 PolarHBondContact O-N 3.03Å; L512-G515 PolarHBondContact O-N 3.03Å
513	D	93.6	Very high	82.8	Confident	107 Å²	107	76.5 Å²	76.5	57%	0.572	40%	0.4	S	S	*	.	H	α-helix	trans	-66.3	-25.2	-179.1	-65.5	-17.9	0	0	0	112.2	Y457 S509 G515	Y457-D513 WeakPolarHBondContact CE1-OD1 3.44Å; Y457-D513 PolarHBondContact OH-OD1 3.26Å; Y457-D513 PolarHBondContact OH-OD2 3.32Å; S509-D513 VanDerWaalsContact O-CB 3.3Å; S509-D513 WeakPolarHBondContact O-CB 3.48Å; S509-D513 PolarHBondContact O-N 3.49Å; D513-G515 VanDerWaalsContact C-N 3.31Å
514	S	91.8	Very high	79.9	Confident	60 Å²	60	74.8 Å²	74.8	42%	0.42	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	6.3	173.6	62.9	0	0	0	0	114	K510 F511 L512 V517	K510-S514 VanDerWaalsContact O-CB 3.29Å; K510-S514 WeakPolarHBondContact O-CB 3.3Å; K510-S514 PolarHBondContact O-N 3.32Å; K510-S514 VanDerWaalsContact O-N 3.08Å; K510-S514 PolarHBondContact O-OG 3.47Å; F511-S514 PolarHBondContact O-OG 3.23Å; L512-S514 PolarHBondContact O-N 3.03Å; S514-V517 PolarHBondContact OG-N 2.62Å; S514-V517 PolarHBondContact OG-O 3.24Å
515	G	87.9	Confident	77.3	Confident	47 Å²	47	80.8 Å²	80.8	49%	0.485	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.7	23.8	178.4	0	0	0	0	0	114.3	L512 D513	L512-G515 PolarHBondContact O-N 3.03Å; D513-G515 VanDerWaalsContact C-N 3.31Å
516	G	86.8	Confident	74.5	Confident	10 Å²	10	85.2 Å²	85.2	10%	0.103	47%	0.467	C	S	.	.	S	Bend	trans	93.6	25.1	178.1	0	0	0	0	0	114.4	F511	F511-G516 VanDerWaalsContact CE2-CA 3.49Å; F511-G516 WeakPolarHBondContact CE2-O 2.74Å; F511-G516 VanDerWaalsContact CZ-CA 3.47Å; F511-G516 WeakPolarHBondContact O-CA 3.4Å; F511-G516 PolarHBondContact O-N 2.62Å
517	V	86	Confident	71.6	Confident	98 Å²	98	85.9 Å²	85.9	59%	0.594	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-99.8	126.2	173.6	-177.5	0	0	0	0	108.4	S514	S514-V517 PolarHBondContact OG-N 2.62Å; S514-V517 PolarHBondContact OG-O 3.24Å
518	L	78.2	Confident	68.8	Low	63 Å²	63	91.5 Å²	91.5	33%	0.33	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-64.3	132.8	175.4	-73.1	168.5	0	0	0	109.6	Y499 T500 F511 Q520	Y499-L518 HydrophobicContact CD2-CD2 3.83Å; Y499-L518 HydrophobicContact CE2-CD2 3.66Å; T500-L518 WeakPolarHBondContact OG1-CD1 3.02Å; F511-L518 HydrophobicContact CD2-CD2 3.79Å; F511-L518 HydrophobicContact CD2-CG 4.11Å; F511-L518 HydrophobicContact CE2-CD2 4.18Å; F511-L518 HydrophobicContact CE2-CG 4.21Å; L518-Q520 PolarHBondContact O-N 3.39Å
519	P	64.4	Low	65.6	Low	57 Å²	57	100.7 Å²	100.7	37%	0.37	54%	0.539	S	S	.	.	P	Polyproline II helix	trans	-57.4	136.4	173.9	-20.2	31	0	0	0	110.2	K510 E521	K510-P519 HydrophobicContact CB-CG 3.86Å; K510-P519 HydrophobicContact CD-CG 4.49Å; P519-E521 PolarHBondContact O-N 3.21Å
520	Q	62.4	Low	62.5	Low	189 Å²	189	110.6 Å²	110.6	88%	0.883	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-65.9	130.3	165.8	-74.6	-173.5	-29	0	0	107.9	L518 E522	L518-Q520 PolarHBondContact O-N 3.39Å; Q520-E522 PolarHBondContact O-N 3.08Å; Q520-E522 VanDerWaalsContact O-N 3.11Å
521	E	53.1	Low	59.7	Low	160 Å²	160	112.5 Å²	112.5	75%	0.748	59%	0.593	S	S	*	*			trans	-62.2	114.2	170.4	-68.3	-176.6	168.4	0	0	108	P519 N523	P519-E521 PolarHBondContact O-N 3.21Å; E521-N523 VanDerWaalsContact C-N 3.34Å; E521-N523 PolarHBondContact O-N 3.16Å
522	E	42.1	Very low	56.8	Low	193 Å²	193	120.4 Å²	120.4	90%	0.902	64%	0.635	S	S	*	*			trans	-67.5	97.3	167.2	-78.4	-178.1	165.8	0	0	107.3	Q520 G524	Q520-E522 PolarHBondContact O-N 3.08Å; Q520-E522 VanDerWaalsContact O-N 3.11Å; E522-G524 VanDerWaalsContact C-N 3.31Å; E522-G524 PolarHBondContact O-N 3.12Å
523	N	37	Very low	53.8	Low	147 Å²	147	122.8 Å²	122.8	79%	0.786	66%	0.661	S	S	*	*			trans	-62.6	100.5	159	-78.4	-28.7	0	0	0	106.7	E521 E525	E521-N523 VanDerWaalsContact C-N 3.34Å; E521-N523 PolarHBondContact O-N 3.16Å; N523-E525 PolarHBondContact O-N 2.65Å
524	G	34.8	Very low	50.8	Low	74 Å²	74	127.2 Å²	127.2	76%	0.763	68%	0.678	S	S	*	*			trans	-58.1	118.8	173.3	0	0	0	0	0	110.2	E522	E522-G524 VanDerWaalsContact C-N 3.31Å; E522-G524 PolarHBondContact O-N 3.12Å
525	E	39.5	Very low	48	Very low	180 Å²	180	133.2 Å²	133.2	84%	0.841	70%	0.699	S	S	*	*			trans	-65.2	126.4	159.9	-67.5	176.7	157.3	0	0	108.4	N523	N523-E525 PolarHBondContact O-N 2.65Å
526	D	36.8	Very low	45.2	Very low	148 Å²	148	135.8 Å²	135.8	79%	0.791	71%	0.71	S	S	*	*				-171.2	131.4	126.8	-88.8	-19	0	0	0	111.3
527	D	34.2	Very low	42.4	Very low	135 Å²	135	140 Å²	140	72%	0.722	74%	0.737	S	S	*	*			trans	91.2	78.6	153.1	-58	-15	0	0	0	121.2
528	D	35.6	Very low	39.6	Very low	141 Å²	141	142.7 Å²	142.7	75%	0.754	75%	0.749	S	S	*	*				53.1	130.4	107.8	-57.3	5.1	0	0	0	123.2
529	Y	29.7	Very low	37.5	Very low	193 Å²	193	143.8 Å²	143.8	76%	0.757	77%	0.767	S	S	*	*			trans	88.6	99.3	146.6	-109.7	-96.7	0	0	0	120.2
530	Y	31.1	Very low	35.8	Very low	212 Å²	212	150.4 Å²	150.4	83%	0.831	79%	0.79	S	S	*	*				-169.4	126.4	93.6	-100.8	-79.6	0	0	0	110.8
531	D	38	Very low	34.2	Very low	143 Å²	143	149.6 Å²	149.6	77%	0.765	79%	0.786	S	S	*	*			trans	-79.1	128.5	165.2	173.3	29.5	0	0	0	109.3
532	D	35.1	Very low	33.1	Very low	166 Å²	166	150.3 Å²	150.3	89%	0.888	79%	0.79	S	S	*	*			trans	-151.8	120.7	143.1	-143.6	1.9	0	0	0	109
533	G	31.7	Very low	32.4	Very low	55 Å²	55	148.2 Å²	148.2	57%	0.567	79%	0.785	S	S	*	*			trans	-80.2	167.8	-171.4	0	0	0	0	0	114.7
534	E	31.7	Very low	32.3	Very low	201 Å²	201	146.6 Å²	146.6	94%	0.939	79%	0.785	S	S	*	*				-157.3	129.5	114.4	-105.2	-171.9	-165.1	0	0	110
535	E	31.1	Very low	32.1	Very low	185 Å²	185	148.2 Å²	148.2	86%	0.864	78%	0.784	S	S	*	*			trans	-67.9	153.5	177.5	-63.4	176.7	138.5	0	0	112.1
536	S	29	Very low	31.7	Very low	102 Å²	102	143 Å²	143	71%	0.713	78%	0.78	S	S	*	*				170.8	131.9	99	53.9	0	0	0	0	113.7
537	S	28.8	Very low	31.3	Very low	97 Å²	97	143.6 Å²	143.6	68%	0.678	78%	0.782	S	S	*	*			trans	57.2	144.8	134.3	72	0	0	0	0	119.6
538	D	28.1	Very low	31.2	Very low	155 Å²	155	144.9 Å²	144.9	83%	0.829	78%	0.784	S	S	*	*			cis	-170	154.6	-7.7	-111.4	-35.2	0	0	0	104.8
539	A	33.5	Very low	30.9	Very low	87 Å²	87	143.4 Å²	143.4	72%	0.719	79%	0.785	S	S	*	*			trans	-59.4	151.9	166.9	0	0	0	0	0	112.6
540	K	28.8	Very low	31	Very low	195 Å²	195	142 Å²	142	85%	0.848	78%	0.783	S	S	*	*			trans	-176.8	116.5	140.9	-97.9	157.9	-171.5	-175.6	0	108.2
541	E	27.6	Very low	31	Very low	172 Å²	172	138.5 Å²	138.5	80%	0.804	77%	0.774	S	S	*	*				56.1	117.7	85.3	-86.2	-171.5	176.8	0	0	114.4
542	E	31.2	Very low	30.6	Very low	176 Å²	176	137.5 Å²	137.5	82%	0.822	77%	0.773	S	S	*	*			trans	47	125.9	149.9	-56.6	-171.8	166.9	0	0	119.5
543	D	27.7	Very low	30.4	Very low	149 Å²	149	135.6 Å²	135.6	80%	0.797	76%	0.763	S	S	*	*				-160.5	131	110	-135.4	-24	0	0	0	114
544	S	34.5	Very low	30.3	Very low	113 Å²	113	140.7 Å²	140.7	79%	0.79	77%	0.772	S	S	*	*			trans	-99.7	90.8	163.1	152	0	0	0	0	105.9	G546	S544-G546 PolarHBondContact O-N 2.65Å
545	S	30.3	Very low	30.4	Very low	107 Å²	107	136.7 Å²	136.7	75%	0.748	77%	0.766	S	S	*	*			trans	-88.4	105	172.4	63.9	0	0	0	0	110.4
546	G	30.9	Very low	30.4	Very low	72 Å²	72	132.1 Å²	132.1	74%	0.742	76%	0.76	S	S	*	*			trans	-79.2	140	145.7	0	0	0	0	0	108.9	S544	S544-G546 PolarHBondContact O-N 2.65Å
547	D	28	Very low	30.6	Very low	159 Å²	159	135.2 Å²	135.2	85%	0.85	76%	0.763	S	S	*	*			trans	-133.3	139.3	155	-163.5	16.5	0	0	0	110.8
548	Q	32.5	Very low	30.7	Very low	162 Å²	162	137.3 Å²	137.3	76%	0.757	77%	0.765	S	S	*	*			trans	-87.3	159.1	-172.6	-65.3	171.5	-20.9	0	0	111.3
549	S	30.6	Very low	30.8	Very low	111 Å²	111	135.4 Å²	135.4	78%	0.776	76%	0.764	S	S	*	*			trans	-147.4	106.1	137.2	52.1	0	0	0	0	106.5
550	K	31.7	Very low	30.7	Very low	162 Å²	162	139.3 Å²	139.3	70%	0.704	77%	0.767	S	S	*	*				56.8	130.1	88.8	-75.4	-168.8	163.1	-138.8	0	111.6
551	E	30.2	Very low	30.7	Very low	139 Å²	139	137.1 Å²	137.1	65%	0.65	77%	0.765	S	S	*	*			cis	-174.6	150.2	19.4	-113.7	171.9	-161.1	0	0	107.4
552	V	30.6	Very low	31	Very low	122 Å²	122	137 Å²	137	74%	0.739	76%	0.761	S	S	*	*			trans	70.8	139.3	133.6	179.1	0	0	0	0	117.7
553	D	29.2	Very low	31.2	Very low	127 Å²	127	134.9 Å²	134.9	68%	0.679	76%	0.761	S	S	*	*			cis	-160.4	166.6	7.2	-139	-23.5	0	0	0	110.6
554	E	31	Very low	31.7	Very low	162 Å²	162	132.6 Å²	132.6	76%	0.757	76%	0.757	S	S	*	*			trans	34.6	121.9	146.1	-81.7	174	169.2	0	0	121.7
555	S	33.3	Very low	31.8	Very low	116 Å²	116	135 Å²	135	81%	0.811	75%	0.753	S	S	*	*				168.6	131.8	98	42.7	0	0	0	0	114.8
556	A	31.5	Very low	32.5	Very low	89 Å²	89	134.8 Å²	134.8	74%	0.736	74%	0.743	S	S	*	*			trans	53	119.6	136.2	0	0	0	0	0	123.5
557	E	32.3	Very low	33.5	Very low	167 Å²	167	139.2 Å²	139.2	78%	0.78	75%	0.745	S	S	*	*				81.3	113.8	125.8	-69.4	-170.1	163.1	0	0	123.4
558	I	31.5	Very low	34.1	Very low	142 Å²	142	142.6 Å²	142.6	73%	0.728	76%	0.762	S	S	*	*				60.5	115.6	123.6	-52.6	165.2	0	0	0	118.4
559	S	29.6	Very low	34.2	Very low	114 Å²	114	141.7 Å²	141.7	80%	0.797	76%	0.762	S	S	*	*				-174.2	142	102.6	66.6	0	0	0	0	113.4
560	E	30.7	Very low	34.4	Very low	169 Å²	169	143.3 Å²	143.3	79%	0.79	76%	0.761	S	S	*	*			trans	-73.6	147.7	178.1	-55.7	170.9	126.7	0	0	113
561	N	30.4	Very low	34.5	Very low	150 Å²	150	142.2 Å²	142.2	80%	0.802	76%	0.764	S	S	*	*				-177.4	104.9	120.9	-116.7	-17.4	0	0	0	109.1
562	K	33.1	Very low	34.8	Very low	168 Å²	168	142.4 Å²	142.4	73%	0.73	77%	0.771	S	S	*	*				62.2	120.6	84.9	-103.3	-177.8	-176	167.4	0	116.9
563	T	35.1	Very low	35	Very low	132 Å²	132	143.7 Å²	143.7	81%	0.81	77%	0.773	S	S	*	*			trans	71.3	132	145.5	43.1	0	0	0	0	117.2
564	S	38.5	Very low	35.4	Very low	102 Å²	102	144.8 Å²	144.8	71%	0.713	78%	0.779	S	S	*	*			cis	-164.7	131.5	47.7	167.1	0	0	0	0	107.6
565	K	37.8	Very low	35.7	Very low	163 Å²	163	143.6 Å²	143.6	71%	0.709	78%	0.781	S	S	*	*				50	129.9	91.1	-81.8	-170.8	132	-105.7	0	112.6
566	D	44.2	Very low	35.9	Very low	102 Å²	102	145.7 Å²	145.7	55%	0.545	78%	0.779	S	S	.	*			cis	-161.6	150.8	17.5	-88.9	-39.2	0	0	0	108.2
567	E	51.9	Low	36.3	Very low	166 Å²	166	150.4 Å²	150.4	78%	0.776	78%	0.782	S	S	*	*			trans	39.5	135.5	131.6	-60.7	177.4	171.4	0	0	119.4
568	L	40.7	Very low	36.7	Very low	230 Å²	230	148.9 Å²	148.9	100%	1.204	78%	0.782	S	S	*	*			cis	-165.3	0	27.7	-122.4	157.6	0	0	0	109

Retrieved 568 of 568 residues in 380.6 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).