A0A077ZKF5_TRITR Loading...

DUF229 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZKF5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 680 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	24.1	Very low	32.9	Very low	229 Å²	229	158.7 Å²	158.7	100%	1.128	84%	0.841	S	S	*	*				0	-32.4	0	-97.9	177.5	170.7	0	0	114.1	M3	M1-M3 PolarHBondContact O-N 2.9Å
2	A	26.7	Very low	34.2	Very low	108 Å²	108	154.4 Å²	154.4	89%	0.893	82%	0.818	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	9.3	-175.8	0	0	0	0	0	117.3
3	M	26.5	Very low	35.4	Very low	190 Å²	190	147.1 Å²	147.1	94%	0.936	79%	0.793	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.3	16.7	-179.5	-89.8	-166.9	177.4	0	0	114.7	M1	M1-M3 PolarHBondContact O-N 2.9Å
4	L	30.8	Very low	36	Very low	155 Å²	155	146.7 Å²	146.7	81%	0.812	78%	0.781	S	S	*	*			trans	-94.4	7.4	180	-87.1	162.3	0	0	0	115.2
5	V	34.2	Very low	36.6	Very low	134 Å²	134	147.5 Å²	147.5	81%	0.812	77%	0.769	S	S	*	*	S	Bend	trans	-108.5	17.8	-169.6	-169.4	0	0	0	0	115
6	R	30	Very low	37.7	Very low	252 Å²	252	145.8 Å²	145.8	95%	0.951	76%	0.76	S	S	*	*	S	Bend	trans	-127.4	25.4	178.4	-81.3	-169.2	176.2	-178.4	-0.2	117
7	G	30.8	Very low	38.1	Very low	66 Å²	66	141.5 Å²	141.5	68%	0.68	75%	0.745	S	S	*	*			trans	-121.9	49.3	176.8	0	0	0	0	0	114.3	M9	G7-M9 PolarHBondContact O-N 3.33Å
8	N	31.2	Very low	38.3	Very low	178 Å²	178	140.6 Å²	140.6	95%	0.952	74%	0.74	S	S	*	*			trans	-77.3	54.4	171	-97.4	-1.3	0	0	0	111.7
9	M	33.7	Very low	39	Very low	181 Å²	181	140.5 Å²	140.5	89%	0.892	74%	0.74	S	S	*	*			trans	-100.2	92	165	-85.2	-174.6	66.9	0	0	109.6	G7	G7-M9 PolarHBondContact O-N 3.33Å
10	S	44.6	Very low	39.4	Very low	65 Å²	65	144 Å²	144	46%	0.455	74%	0.742	S	S	.	*			trans	49.6	75.6	145.7	-164.1	0	0	0	0	117.2	D12 A13	S10-D12 PolarHBondContact O-N 2.93Å; S10-A13 PolarHBondContact O-N 2.77Å; S10-A13 VanDerWaalsContact O-N 3.16Å; S10-A13 VanDerWaalsContact OG-CB 3.28Å; S10-A13 WeakPolarHBondContact OG-CB 3.4Å; S10-A13 PolarHBondContact OG-N 2.71Å
11	Y	49.4	Very low	39.7	Very low	188 Å²	188	143.2 Å²	143.2	74%	0.737	75%	0.75	S	S	*	*	H	α-helix	trans	-52.3	-28.6	156.8	-171.3	-100.6	0	0	0	111.7	F14 R15	Y11-F14 PolarHBondContact O-N 3.04Å; Y11-R15 PolarHBondContact O-N 2.98Å
12	D	48.4	Very low	40.9	Very low	107 Å²	107	133.7 Å²	133.7	57%	0.572	71%	0.711	S	S	*	*	H	α-helix	trans	-68.4	-33.4	177.1	-71.9	-31.6	0	0	0	113.9	S10 F14 R15 N16	S10-D12 PolarHBondContact O-N 2.93Å; D12-F14 VanDerWaalsContact C-N 3.35Å; D12-R15 PolarHBondContact O-N 2.97Å; D12-N16 WeakPolarHBondContact O-CB 3.38Å; D12-N16 PolarHBondContact O-N 3.34Å; D12-N16 PolarHBondContact O-ND2 3.36Å
13	A	49.5	Very low	42.2	Very low	59 Å²	59	136 Å²	136	49%	0.488	71%	0.707	S	S	.	*	H	α-helix	trans	-67.9	-37.8	174.6	0	0	0	0	0	111.4	S10 C17	S10-A13 PolarHBondContact O-N 2.77Å; S10-A13 VanDerWaalsContact O-N 3.16Å; S10-A13 VanDerWaalsContact OG-CB 3.28Å; S10-A13 WeakPolarHBondContact OG-CB 3.4Å; S10-A13 PolarHBondContact OG-N 2.71Å; A13-C17 PolarHBondContact O-N 2.84Å
14	F	44.7	Very low	43.3	Very low	142 Å²	142	137.3 Å²	137.3	62%	0.623	70%	0.701	S	S	*	*	H	α-helix	trans	-67.8	-42.8	176.2	-168.7	-98.7	0	0	0	111.5	Y11 D12 N16 C17 L18	Y11-F14 PolarHBondContact O-N 3.04Å; D12-F14 VanDerWaalsContact C-N 3.35Å; F14-N16 PolarHBondContact O-N 2.91Å; F14-C17 PolarHBondContact O-N 3.46Å; F14-L18 HydrophobicContact CD1-CD1 4.22Å; F14-L18 HydrophobicContact CE1-CD1 4.02Å; F14-L18 PolarHBondContact O-N 3.28Å
15	R	45.4	Very low	44.4	Very low	159 Å²	159	135.6 Å²	135.6	60%	0.6	69%	0.691	S	S	*	*	H	α-helix	trans	-65.2	-37.6	177.5	-169.6	176.1	169.9	-179.1	-2.9	112.6	Y11 D12 C17 L18	Y11-R15 PolarHBondContact O-N 2.98Å; D12-R15 PolarHBondContact O-N 2.97Å; R15-C17 VanDerWaalsContact C-N 3.31Å; R15-C17 PolarHBondContact O-N 2.8Å; R15-L18 PolarHBondContact O-N 2.84Å
16	N	52.8	Low	45.1	Very low	119 Å²	119	132 Å²	132	64%	0.636	67%	0.671	S	S	*	*	H	α-helix	trans	-71	-25.5	176.6	-79.4	-27.2	0	0	0	113.3	D12 F14 L18	D12-N16 WeakPolarHBondContact O-CB 3.38Å; D12-N16 PolarHBondContact O-N 3.34Å; D12-N16 PolarHBondContact O-ND2 3.36Å; F14-N16 PolarHBondContact O-N 2.91Å; N16-L18 VanDerWaalsContact C-N 3.33Å
17	C	44.8	Very low	46.7	Very low	73 Å²	73	126.8 Å²	126.8	49%	0.493	66%	0.656	S	S	.	*	H	α-helix	trans	-70.2	-30.2	173.5	-130.7	0	0	0	0	112.4	A13 F14 R15 N19	A13-C17 PolarHBondContact O-N 2.84Å; F14-C17 PolarHBondContact O-N 3.46Å; R15-C17 VanDerWaalsContact C-N 3.31Å; R15-C17 PolarHBondContact O-N 2.8Å; C17-N19 VanDerWaalsContact C-N 3.31Å; C17-N19 PolarHBondContact O-N 3.03Å
18	L	42.3	Very low	48.2	Very low	125 Å²	125	129.4 Å²	129.4	65%	0.654	65%	0.654	S	S	*	*	H	α-helix	trans	-68.8	-24.9	179.1	-79.9	161.3	0	0	0	113.9	F14 R15 N16	F14-L18 HydrophobicContact CD1-CD1 4.22Å; F14-L18 HydrophobicContact CE1-CD1 4.02Å; F14-L18 PolarHBondContact O-N 3.28Å; R15-L18 PolarHBondContact O-N 2.84Å; N16-L18 VanDerWaalsContact C-N 3.33Å
19	N	51.9	Low	49.7	Very low	139 Å²	139	126 Å²	126	74%	0.743	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.6	-3.3	-175.2	-88.4	-5.5	0	0	0	115.4	C17	C17-N19 VanDerWaalsContact C-N 3.31Å; C17-N19 PolarHBondContact O-N 3.03Å
20	R	47	Very low	51.1	Low	210 Å²	210	120.3 Å²	120.3	79%	0.792	61%	0.613	S	S	*	*	S	Bend	trans	-119.5	91.5	175	-76.4	-173.1	177.5	-171.7	-0.1	110.3	G22	R20-G22 PolarHBondContact O-N 2.78Å; R20-G22 VanDerWaalsContact O-N 3.12Å
21	S	45.7	Very low	52.2	Low	128 Å²	128	120.4 Å²	120.4	90%	0.895	61%	0.611	S	S	*	*	S	Bend	trans	22.8	81.9	144.9	34.1	0	0	0	0	115
22	G	49.1	Very low	52.9	Low	30 Å²	30	115.1 Å²	115.1	31%	0.309	60%	0.598	S	S	.	*			trans	177.7	39.5	177.5	0	0	0	0	0	114.7	R20 R24 I25 C26	R20-G22 PolarHBondContact O-N 2.78Å; R20-G22 VanDerWaalsContact O-N 3.12Å; G22-R24 PolarHBondContact O-N 2.81Å; G22-I25 PolarHBondContact O-N 2.84Å; G22-C26 PolarHBondContact O-N 2.96Å
23	I	53.2	Low	53.5	Low	157 Å²	157	117.2 Å²	117.2	81%	0.805	60%	0.602	S	S	*	*	H	α-helix	trans	-49.8	-28.7	179.5	-69	171.5	0	0	0	112.1
24	R	50.4	Low	54.2	Low	217 Å²	217	116.7 Å²	116.7	82%	0.819	60%	0.598	S	S	*	*	H	α-helix	trans	-72.6	-33.7	176.6	-74.6	-174.1	173.4	-175.9	-1.8	115	G22 L28	G22-R24 PolarHBondContact O-N 2.81Å; R24-L28 PolarHBondContact O-N 2.94Å
25	I	53.5	Low	55	Low	118 Å²	118	113.4 Å²	113.4	61%	0.605	59%	0.589	S	S	*	*	H	α-helix	trans	-78.3	-39	-175.9	-65.2	172.1	0	0	0	110.7	G22 F27 L28 L29	G22-I25 PolarHBondContact O-N 2.84Å; I25-F27 VanDerWaalsContact C-N 3.34Å; I25-F27 PolarHBondContact O-N 2.85Å; I25-L28 PolarHBondContact O-N 2.69Å; I25-L29 HydrophobicContact CG2-CD1 4.1Å; I25-L29 PolarHBondContact O-N 2.76Å; I25-L29 VanDerWaalsContact O-N 3.12Å
26	C	49.4	Very low	55.3	Low	58 Å²	58	113 Å²	113	39%	0.392	59%	0.592	S	S	.	*	H	α-helix	trans	-65.9	-36.1	177.1	-76.9	0	0	0	0	112.6	G22 L29 S30	G22-C26 PolarHBondContact O-N 2.96Å; C26-L29 PolarHBondContact O-N 3.39Å; C26-S30 WeakPolarHBondContact O-CB 3.48Å; C26-S30 PolarHBondContact O-N 2.71Å; C26-S30 PolarHBondContact O-OG 3.18Å
27	F	63.7	Low	55.2	Low	143 Å²	143	114.1 Å²	114.1	63%	0.627	59%	0.592	S	S	*	*	H	α-helix	trans	-68.3	-38.2	178.3	-155.6	-89.6	0	0	0	112.1	I25 S30 V31	I25-F27 VanDerWaalsContact C-N 3.34Å; I25-F27 PolarHBondContact O-N 2.85Å; F27-S30 PolarHBondContact O-N 2.95Å; F27-S30 PolarHBondContact O-OG 3.34Å; F27-S30 VanDerWaalsContact O-OG 3.04Å; F27-V31 HydrophobicContact CD1-CG2 3.84Å; F27-V31 HydrophobicContact CE1-CG2 3.74Å; F27-V31 WeakPolarHBondContact O-CB 3.34Å; F27-V31 WeakPolarHBondContact O-CG2 3.35Å; F27-V31 PolarHBondContact O-N 2.82Å
28	L	60.9	Low	55.2	Low	122 Å²	122	116.1 Å²	116.1	64%	0.639	60%	0.597	S	S	*	*	H	α-helix	trans	-65.3	-41.7	174.6	-94.8	149.6	0	0	0	112.1	R24 I25 T32	R24-L28 PolarHBondContact O-N 2.94Å; I25-L28 PolarHBondContact O-N 2.69Å; L28-T32 PolarHBondContact O-N 2.94Å; L28-T32 PolarHBondContact O-OG1 3.3Å
29	L	62.5	Low	55.2	Low	105 Å²	105	115 Å²	115	55%	0.55	59%	0.591	S	S	.	*	H	α-helix	trans	-68.2	-38.5	176.9	-77.9	165.5	0	0	0	112.4	I25 C26 T32 F33	I25-L29 HydrophobicContact CG2-CD1 4.1Å; I25-L29 PolarHBondContact O-N 2.76Å; I25-L29 VanDerWaalsContact O-N 3.12Å; C26-L29 PolarHBondContact O-N 3.39Å; L29-T32 WeakPolarHBondContact CA-OG1 3.44Å; L29-T32 PolarHBondContact O-OG1 3.36Å; L29-F33 WeakPolarHBondContact O-CB 2.81Å; L29-F33 PolarHBondContact O-N 3.11Å
30	S	63.2	Low	54.7	Low	63 Å²	63	111.2 Å²	111.2	44%	0.441	58%	0.579	S	S	.	*	H	α-helix	trans	-69.5	-39.1	176.7	71.1	0	0	0	0	112.4	C26 F27 F33 A34	C26-S30 WeakPolarHBondContact O-CB 3.48Å; C26-S30 PolarHBondContact O-N 2.71Å; C26-S30 PolarHBondContact O-OG 3.18Å; F27-S30 PolarHBondContact O-N 2.95Å; F27-S30 PolarHBondContact O-OG 3.34Å; F27-S30 VanDerWaalsContact O-OG 3.04Å; S30-F33 PolarHBondContact O-N 3.45Å; S30-A34 VanDerWaalsContact O-CB 3.23Å; S30-A34 WeakPolarHBondContact O-CB 3.22Å; S30-A34 PolarHBondContact O-N 3.18Å
31	V	69.5	Low	54.4	Low	66 Å²	66	104.9 Å²	104.9	40%	0.4	56%	0.564	S	S	.	*	H	α-helix	trans	-66.9	-43	176.2	171.8	0	0	0	0	110.8	F27 A34 V35	F27-V31 HydrophobicContact CD1-CG2 3.84Å; F27-V31 HydrophobicContact CE1-CG2 3.74Å; F27-V31 WeakPolarHBondContact O-CB 3.34Å; F27-V31 WeakPolarHBondContact O-CG2 3.35Å; F27-V31 PolarHBondContact O-N 2.82Å; V31-A34 PolarHBondContact O-N 2.98Å; V31-V35 HydrophobicContact CG1-CG2 4.26Å; V31-V35 WeakPolarHBondContact O-CB 3.39Å; V31-V35 VanDerWaalsContact O-CG2 3.24Å; V31-V35 WeakPolarHBondContact O-CG2 3.26Å; V31-V35 PolarHBondContact O-N 3.15Å
32	T	63.7	Low	54.2	Low	77 Å²	77	102.8 Å²	102.8	47%	0.472	55%	0.549	S	S	.	.	H	α-helix	trans	-64.1	-41.5	176	39.6	0	0	0	0	112.1	L28 L29 F36	L28-T32 PolarHBondContact O-N 2.94Å; L28-T32 PolarHBondContact O-OG1 3.3Å; L29-T32 WeakPolarHBondContact CA-OG1 3.44Å; L29-T32 PolarHBondContact O-OG1 3.36Å; T32-F36 WeakPolarHBondContact O-CB 3.47Å; T32-F36 PolarHBondContact O-N 2.79Å
33	F	61.5	Low	53.6	Low	152 Å²	152	105.8 Å²	105.8	67%	0.667	56%	0.555	S	S	*	*	H	α-helix	trans	-64.3	-42.8	172.7	-110.5	-88.1	0	0	0	112.3	L29 S30 F36 F37	L29-F33 WeakPolarHBondContact O-CB 2.81Å; L29-F33 PolarHBondContact O-N 3.11Å; S30-F33 PolarHBondContact O-N 3.45Å; F33-F36 PolarHBondContact O-N 3.33Å; F33-F37 VanDerWaalsContact O-CB 3.31Å; F33-F37 WeakPolarHBondContact O-CB 3.37Å; F33-F37 PolarHBondContact O-N 3.34Å
34	A	62.8	Low	52.7	Low	47 Å²	47	107.1 Å²	107.1	39%	0.388	55%	0.55	S	S	.	.	H	α-helix	trans	-65.2	-40.1	178.5	0	0	0	0	0	111.7	S30 V31 F37 L38	S30-A34 VanDerWaalsContact O-CB 3.23Å; S30-A34 WeakPolarHBondContact O-CB 3.22Å; S30-A34 PolarHBondContact O-N 3.18Å; V31-A34 PolarHBondContact O-N 2.98Å; A34-F37 PolarHBondContact O-N 2.93Å; A34-L38 WeakPolarHBondContact O-CB 3.38Å; A34-L38 WeakPolarHBondContact O-CG 3.12Å; A34-L38 PolarHBondContact O-N 2.84Å
35	V	60.9	Low	52.4	Low	73 Å²	73	106.3 Å²	106.3	44%	0.442	55%	0.552	S	S	.	*	H	α-helix	trans	-65.8	-42.1	173.7	171.7	0	0	0	0	110.5	V31 F37 L38 L39	V31-V35 HydrophobicContact CG1-CG2 4.26Å; V31-V35 WeakPolarHBondContact O-CB 3.39Å; V31-V35 VanDerWaalsContact O-CG2 3.24Å; V31-V35 WeakPolarHBondContact O-CG2 3.26Å; V31-V35 PolarHBondContact O-N 3.15Å; V35-F37 PolarHBondContact O-N 3.45Å; V35-L38 PolarHBondContact O-N 2.95Å; V35-L39 HydrophobicContact CG1-CD1 3.84Å; V35-L39 HydrophobicContact CG1-CG 4.35Å; V35-L39 WeakPolarHBondContact O-CB 3.26Å; V35-L39 VanDerWaalsContact O-CG 3.23Å; V35-L39 WeakPolarHBondContact O-CG 3.16Å; V35-L39 PolarHBondContact O-N 2.9Å
36	F	53	Low	51.9	Low	152 Å²	152	102.7 Å²	102.7	67%	0.667	54%	0.544	S	S	*	.	H	α-helix	trans	-63.9	-41.2	175.2	-123.5	-86.2	0	0	0	112.1	T32 F33 L39 A40	T32-F36 WeakPolarHBondContact O-CB 3.47Å; T32-F36 PolarHBondContact O-N 2.79Å; F33-F36 PolarHBondContact O-N 3.33Å; F36-L39 PolarHBondContact O-N 2.87Å; F36-A40 WeakPolarHBondContact O-CB 3.43Å; F36-A40 PolarHBondContact O-N 3.4Å
37	F	49.5	Very low	51.9	Low	142 Å²	142	104.3 Å²	104.3	62%	0.623	55%	0.549	S	S	*	.	H	α-helix	trans	-70.1	-38.8	178.3	-143.9	-87	0	0	0	111.2	F33 A34 V35 A40 T41	F33-F37 VanDerWaalsContact O-CB 3.31Å; F33-F37 WeakPolarHBondContact O-CB 3.37Å; F33-F37 PolarHBondContact O-N 3.34Å; A34-F37 PolarHBondContact O-N 2.93Å; V35-F37 PolarHBondContact O-N 3.45Å; F37-A40 PolarHBondContact O-N 2.74Å; F37-T41 HydrophobicContact CD1-CG2 3.75Å; F37-T41 HydrophobicContact CE1-CG2 3.79Å; F37-T41 VanDerWaalsContact O-CB 3.31Å; F37-T41 WeakPolarHBondContact O-CB 3.35Å; F37-T41 VanDerWaalsContact O-CG2 3.26Å; F37-T41 WeakPolarHBondContact O-CG2 3.41Å; F37-T41 PolarHBondContact O-N 3.32Å; F37-T41 PolarHBondContact O-OG1 2.8Å
38	L	45.1	Very low	51.1	Low	115 Å²	115	99.4 Å²	99.4	60%	0.602	53%	0.528	S	S	*	.	H	α-helix	trans	-65.2	-43.5	173.4	-78.6	166.1	0	0	0	110.9	A34 V35 T41 S42	A34-L38 WeakPolarHBondContact O-CB 3.38Å; A34-L38 WeakPolarHBondContact O-CG 3.12Å; A34-L38 PolarHBondContact O-N 2.84Å; V35-L38 PolarHBondContact O-N 2.95Å; L38-T41 PolarHBondContact O-N 2.85Å; L38-T41 PolarHBondContact O-OG1 3.27Å; L38-S42 WeakPolarHBondContact O-CA 3.34Å; L38-S42 WeakPolarHBondContact O-CB 3.17Å; L38-S42 PolarHBondContact O-N 2.89Å; L38-S42 PolarHBondContact O-OG 2.99Å
39	L	42.1	Very low	50.9	Low	101 Å²	101	94.5 Å²	94.5	53%	0.529	50%	0.502	S	S	.	.	H	α-helix	trans	-64.8	-39.8	174.9	-73.5	168.8	0	0	0	112.1	V35 F36 S42 H43	V35-L39 HydrophobicContact CG1-CD1 3.84Å; V35-L39 HydrophobicContact CG1-CG 4.35Å; V35-L39 WeakPolarHBondContact O-CB 3.26Å; V35-L39 VanDerWaalsContact O-CG 3.23Å; V35-L39 WeakPolarHBondContact O-CG 3.16Å; V35-L39 PolarHBondContact O-N 2.9Å; F36-L39 PolarHBondContact O-N 2.87Å; L39-S42 PolarHBondContact O-OG 3.11Å; L39-H43 PolarHBondContact O-N 3.26Å
40	A	42.1	Very low	50.5	Low	59 Å²	59	94 Å²	94	49%	0.488	50%	0.503	S	S	.	.	H	α-helix	trans	-72	-29.4	178	0	0	0	0	0	113.1	F36 F37	F36-A40 WeakPolarHBondContact O-CB 3.43Å; F36-A40 PolarHBondContact O-N 3.4Å; F37-A40 PolarHBondContact O-N 2.74Å
41	T	39.9	Very low	50.1	Low	78 Å²	78	95.9 Å²	95.9	48%	0.479	50%	0.501	S	S	.	.	H	α-helix	trans	-92.5	-26.7	177.6	54.8	0	0	0	0	113	F37 L38	F37-T41 HydrophobicContact CD1-CG2 3.75Å; F37-T41 HydrophobicContact CE1-CG2 3.79Å; F37-T41 VanDerWaalsContact O-CB 3.31Å; F37-T41 WeakPolarHBondContact O-CB 3.35Å; F37-T41 VanDerWaalsContact O-CG2 3.26Å; F37-T41 WeakPolarHBondContact O-CG2 3.41Å; F37-T41 PolarHBondContact O-N 3.32Å; F37-T41 PolarHBondContact O-OG1 2.8Å; L38-T41 PolarHBondContact O-N 2.85Å; L38-T41 PolarHBondContact O-OG1 3.27Å
42	S	41.9	Very low	49.6	Very low	83 Å²	83	93 Å²	93	58%	0.58	48%	0.483	S	S	*	.	H	α-helix	trans	-73.4	-31.6	175.7	68.9	0	0	0	0	111.6	L38 L39 R44	L38-S42 WeakPolarHBondContact O-CA 3.34Å; L38-S42 WeakPolarHBondContact O-CB 3.17Å; L38-S42 PolarHBondContact O-N 2.89Å; L38-S42 PolarHBondContact O-OG 2.99Å; L39-S42 PolarHBondContact O-OG 3.11Å; S42-R44 PolarHBondContact O-N 3.41Å
43	H	36.9	Very low	49.2	Very low	93 Å²	93	91.4 Å²	91.4	43%	0.431	47%	0.473	S	S	.	.	S	Bend	trans	-73.2	78.7	158.5	-90.8	-78.8	0	0	0	108.5	L39 F45	L39-H43 PolarHBondContact O-N 3.26Å; H43-F45 PolarHBondContact O-N 2.83Å; H43-F45 VanDerWaalsContact O-N 3.12Å
44	R	35.4	Very low	48.9	Very low	186 Å²	186	87.9 Å²	87.9	70%	0.702	47%	0.468	S	S	*	.			trans	-43.2	127.1	154.6	-70.1	-172.7	-165.5	-172.5	6.4	106	S42 G46	S42-R44 PolarHBondContact O-N 3.41Å; R44-G46 PolarHBondContact O-N 3.14Å
45	F	43.2	Very low	48.7	Very low	199 Å²	199	88.1 Å²	88.1	87%	0.873	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.7	11.4	-168.9	-75.8	-92	0	0	0	118.3	H43	H43-F45 PolarHBondContact O-N 2.83Å; H43-F45 VanDerWaalsContact O-N 3.12Å
46	G	42.6	Very low	48.6	Very low	43 Å²	43	92.3 Å²	92.3	44%	0.443	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-18.3	-177.4	0	0	0	0	0	117.1	R44	R44-G46 PolarHBondContact O-N 3.14Å
47	D	48.8	Very low	48.8	Very low	92 Å²	92	85.1 Å²	85.1	49%	0.492	44%	0.438	S	S	.	.			trans	-117.9	32.8	-173.8	-72.2	-30.4	0	0	0	113.9	N49 V50 Y51	D47-N49 PolarHBondContact O-N 2.94Å; D47-V50 HydrophobicContact CB-CB 4.34Å; D47-V50 HydrophobicContact CB-CG2 4.21Å; D47-V50 PolarHBondContact O-N 3.21Å; D47-V50 VanDerWaalsContact O-N 3.12Å; D47-Y51 PolarHBondContact O-N 2.04Å
48	F	48.9	Very low	49.4	Very low	40 Å²	40	83.8 Å²	83.8	18%	0.175	44%	0.438	C	S	.	.	H	α-helix	trans	-47.4	-44	172.3	178.6	-90.3	0	0	0	111.5	V50 Y51 Y52 L74 L75 P76	F48-V50 PolarHBondContact O-N 2.88Å; F48-Y51 PolarHBondContact O-N 3Å; F48-Y52 HydrophobicContact CD1-CD2 4.11Å; F48-Y52 AromaticContact CD2-CD2 3.79Å; F48-Y52 HydrophobicContact CD2-CD2 3.79Å; F48-Y52 AromaticContact CD2-CE2 3.45Å; F48-Y52 HydrophobicContact CD2-CE2 3.45Å; F48-Y52 VanDerWaalsContact CD2-CE2 3.45Å; F48-Y52 AromaticContact CE1-CD2 3.74Å; F48-Y52 HydrophobicContact CE1-CD2 3.74Å; F48-Y52 HydrophobicContact CE1-CE2 4.09Å; F48-Y52 HydrophobicContact CE1-CG 4.08Å; F48-Y52 AromaticContact CE2-CD2 3.41Å; F48-Y52 HydrophobicContact CE2-CD2 3.41Å; F48-Y52 VanDerWaalsContact CE2-CD2 3.41Å; F48-Y52 HydrophobicContact CE2-CE1 4.26Å; F48-Y52 AromaticContact CE2-CE2 2.88Å; F48-Y52 HydrophobicContact CE2-CE2 2.88Å; F48-Y52 HydrophobicContact CE2-CG 4.3Å; F48-Y52 AromaticContact CE2-CZ 3.37Å; F48-Y52 HydrophobicContact CG-CD2 4.11Å; F48-Y52 HydrophobicContact CG-CE2 4.23Å; F48-Y52 HydrophobicContact CZ-CD1 4.12Å; F48-Y52 AromaticContact CZ-CD2 3.36Å; F48-Y52 HydrophobicContact CZ-CD2 3.36Å; F48-Y52 AromaticContact CZ-CE1 3.99Å; F48-Y52 HydrophobicContact CZ-CE1 3.99Å; F48-Y52 AromaticContact CZ-CE2 3.25Å; F48-Y52 HydrophobicContact CZ-CE2 3.25Å; F48-Y52 AromaticContact CZ-CG 3.83Å; F48-Y52 HydrophobicContact CZ-CG 3.83Å; F48-Y52 AromaticContact CZ-CZ 3.56Å; F48-Y52 VanDerWaalsContact O-CD2 3.31Å; F48-Y52 WeakPolarHBondContact O-CD2 3.31Å; F48-Y52 PolarHBondContact O-N 3.17Å; F48-L74 HydrophobicContact CE2-CB 4.26Å; F48-L74 WeakPolarHBondContact CE2-O 3.35Å; F48-L74 WeakPolarHBondContact CZ-O 3.43Å; F48-L75 HydrophobicContact CZ-CD2 4.14Å; F48-P76 HydrophobicContact CE1-CG 4.19Å
49	N	54.9	Low	50	Low	18 Å²	18	80.9 Å²	80.9	10%	0.096	44%	0.436	C	S	.	.	H	α-helix	trans	-58.5	-45.9	179.3	-92.4	-15.2	0	0	0	113.7	D47 Y51 Y52 V53 D644 Y646 Y665	D47-N49 PolarHBondContact O-N 2.94Å; N49-Y51 VanDerWaalsContact C-N 3.32Å; N49-Y51 PolarHBondContact O-N 3.18Å; N49-Y52 PolarHBondContact O-N 2.76Å; N49-V53 VanDerWaalsContact O-CB 3.27Å; N49-V53 WeakPolarHBondContact O-CB 3.39Å; N49-V53 WeakPolarHBondContact O-CG2 3.06Å; N49-V53 PolarHBondContact O-N 2.88Å; N49-D644 PolarHBondContact ND2-OD2 3.48Å; N49-Y646 PolarHBondContact ND2-OH 3.06Å; N49-Y646 VanDerWaalsContact ND2-OH 3.14Å; N49-Y646 PolarHBondContact OD1-OH 2.99Å; N49-Y665 WeakPolarHBondContact ND2-CD1 3.26Å; N49-Y665 WeakPolarHBondContact ND2-CE1 3.01Å
50	V	55.4	Low	51.2	Low	95 Å²	95	78 Å²	78	58%	0.576	42%	0.424	S	S	*	.	H	α-helix	trans	-62.2	-42.3	-177.5	-179.1	0	0	0	0	110.8	D47 F48 S54	D47-V50 HydrophobicContact CB-CB 4.34Å; D47-V50 HydrophobicContact CB-CG2 4.21Å; D47-V50 PolarHBondContact O-N 3.21Å; D47-V50 VanDerWaalsContact O-N 3.12Å; F48-V50 PolarHBondContact O-N 2.88Å; V50-S54 WeakPolarHBondContact O-CB 3.43Å; V50-S54 PolarHBondContact O-N 2.89Å
51	Y	55.1	Low	52.5	Low	103 Å²	103	78 Å²	78	40%	0.404	41%	0.411	S	S	.	.	H	α-helix	trans	-63.5	-48.2	-179.9	-177.3	-103.5	0	0	0	112.1	D47 F48 N49 S54 L55	D47-Y51 PolarHBondContact O-N 2.04Å; F48-Y51 PolarHBondContact O-N 3Å; N49-Y51 VanDerWaalsContact C-N 3.32Å; N49-Y51 PolarHBondContact O-N 3.18Å; Y51-S54 PolarHBondContact O-N 3.5Å; Y51-S54 PolarHBondContact O-OG 3.34Å; Y51-L55 HydrophobicContact CD1-CD1 3.86Å; Y51-L55 HydrophobicContact CE1-CD1 3.33Å; Y51-L55 HydrophobicContact CE1-CG 4.38Å; Y51-L55 HydrophobicContact CE2-CD1 4.36Å; Y51-L55 PolarHBondContact O-N 2.98Å
52	Y	58.2	Low	53.9	Low	4 Å²	4	79.8 Å²	79.8	2%	0.016	42%	0.419	C	S	.	.	H	α-helix	trans	-76.8	-29.7	-176.7	-76.9	-100.3	0	0	0	113.9	F48 N49 S54 L71 L74 L75 L575	F48-Y52 HydrophobicContact CD1-CD2 4.11Å; F48-Y52 AromaticContact CD2-CD2 3.79Å; F48-Y52 HydrophobicContact CD2-CD2 3.79Å; F48-Y52 AromaticContact CD2-CE2 3.45Å; F48-Y52 HydrophobicContact CD2-CE2 3.45Å; F48-Y52 VanDerWaalsContact CD2-CE2 3.45Å; F48-Y52 AromaticContact CE1-CD2 3.74Å; F48-Y52 HydrophobicContact CE1-CD2 3.74Å; F48-Y52 HydrophobicContact CE1-CE2 4.09Å; F48-Y52 HydrophobicContact CE1-CG 4.08Å; F48-Y52 AromaticContact CE2-CD2 3.41Å; F48-Y52 HydrophobicContact CE2-CD2 3.41Å; F48-Y52 VanDerWaalsContact CE2-CD2 3.41Å; F48-Y52 HydrophobicContact CE2-CE1 4.26Å; F48-Y52 AromaticContact CE2-CE2 2.88Å; F48-Y52 HydrophobicContact CE2-CE2 2.88Å; F48-Y52 HydrophobicContact CE2-CG 4.3Å; F48-Y52 AromaticContact CE2-CZ 3.37Å; F48-Y52 HydrophobicContact CG-CD2 4.11Å; F48-Y52 HydrophobicContact CG-CE2 4.23Å; F48-Y52 HydrophobicContact CZ-CD1 4.12Å; F48-Y52 AromaticContact CZ-CD2 3.36Å; F48-Y52 HydrophobicContact CZ-CD2 3.36Å; F48-Y52 AromaticContact CZ-CE1 3.99Å; F48-Y52 HydrophobicContact CZ-CE1 3.99Å; F48-Y52 AromaticContact CZ-CE2 3.25Å; F48-Y52 HydrophobicContact CZ-CE2 3.25Å; F48-Y52 AromaticContact CZ-CG 3.83Å; F48-Y52 HydrophobicContact CZ-CG 3.83Å; F48-Y52 AromaticContact CZ-CZ 3.56Å; F48-Y52 VanDerWaalsContact O-CD2 3.31Å; F48-Y52 WeakPolarHBondContact O-CD2 3.31Å; F48-Y52 PolarHBondContact O-N 3.17Å; N49-Y52 PolarHBondContact O-N 2.76Å; Y52-S54 PolarHBondContact O-N 3.47Å; Y52-L71 HydrophobicContact CE1-CB 4.31Å; Y52-L71 HydrophobicContact CE1-CD1 3.73Å; Y52-L74 WeakPolarHBondContact OH-CB 3.34Å; Y52-L75 HydrophobicContact CD1-CD2 4.09Å; Y52-L75 HydrophobicContact CE1-CD2 3.64Å; Y52-L575 HydrophobicContact CD1-CB 4.36Å; Y52-L575 HydrophobicContact CD1-CD2 3.74Å; Y52-L575 HydrophobicContact CD1-CG 4.2Å; Y52-L575 HydrophobicContact CE1-CD2 3.89Å
53	V	54.6	Low	55.3	Low	44 Å²	44	81.7 Å²	81.7	27%	0.267	42%	0.416	S	S	.	.	H	α-helix	trans	-64.2	-31.3	170.7	172.2	0	0	0	0	110.7	N49 F570 I576	N49-V53 VanDerWaalsContact O-CB 3.27Å; N49-V53 WeakPolarHBondContact O-CB 3.39Å; N49-V53 WeakPolarHBondContact O-CG2 3.06Å; N49-V53 PolarHBondContact O-N 2.88Å; V53-F570 HydrophobicContact CG1-CD2 4.4Å; V53-I576 HydrophobicContact CG2-CG2 3.87Å
54	S	56.2	Low	57	Low	79 Å²	79	77.3 Å²	77.3	55%	0.552	40%	0.396	S	S	*	.	H	α-helix	trans	-79.6	-28	179.6	78.5	0	0	0	0	114.7	V50 Y51 Y52 R56	V50-S54 WeakPolarHBondContact O-CB 3.43Å; V50-S54 PolarHBondContact O-N 2.89Å; Y51-S54 PolarHBondContact O-N 3.5Å; Y51-S54 PolarHBondContact O-OG 3.34Å; Y52-S54 PolarHBondContact O-N 3.47Å; S54-R56 PolarHBondContact O-N 3.08Å
55	L	57.5	Low	58.8	Low	51 Å²	51	69.4 Å²	69.4	27%	0.267	37%	0.368	S	S	.	.			trans	-79.5	119.9	-177.7	-74.7	173.6	0	0	0	112.1	Y51 L575	Y51-L55 HydrophobicContact CD1-CD1 3.86Å; Y51-L55 HydrophobicContact CE1-CD1 3.33Å; Y51-L55 HydrophobicContact CE1-CG 4.38Å; Y51-L55 HydrophobicContact CE2-CD1 4.36Å; Y51-L55 PolarHBondContact O-N 2.98Å; L55-L575 HydrophobicContact CB-CB 4.33Å; L55-L575 HydrophobicContact CD1-CD2 4.49Å; L55-L575 PolarHBondContact O-N 3.39Å
56	R	58.9	Low	60.3	Low	162 Å²	162	63.5 Å²	63.5	61%	0.611	35%	0.347	S	S	*	.	B	Isolated β-bridge	trans	-95.1	140.6	178.1	-63.1	-174.1	-176.9	-179.3	0.8	112.8	S54 N58 R67 D573	S54-R56 PolarHBondContact O-N 3.08Å; R56-N58 VanDerWaalsContact C-N 3.32Å; R56-N58 PolarHBondContact O-N 3.43Å; R56-R67 PolarHBondContact O-NH1 3.27Å; R56-D573 WeakPolarHBondContact CA-O 3.2Å
57	A	57.2	Low	61.8	Low	0 Å²	0	66.5 Å²	66.5	0%	0	35%	0.345	C	S	.	.			trans	-82	2.4	179.8	0	0	0	0	0	115.5	G59 A64 D573	A57-G59 VanDerWaalsContact C-N 3.3Å; A57-G59 PolarHBondContact O-N 3.06Å; A57-A64 HydrophobicContact CB-CB 3.63Å; A57-D573 PolarHBondContact N-O 2.78Å
58	N	62.3	Low	63.1	Low	114 Å²	114	62.5 Å²	62.5	61%	0.61	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	44.5	-174.5	-70.2	-0.2	0	0	0	113.5	R56 S60	R56-N58 VanDerWaalsContact C-N 3.32Å; R56-N58 PolarHBondContact O-N 3.43Å; N58-S60 PolarHBondContact O-N 3.25Å
59	G	58.6	Low	64.4	Low	54 Å²	54	69.5 Å²	69.5	56%	0.557	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	12.4	158.4	0	0	0	0	0	118.5	A57	A57-G59 VanDerWaalsContact C-N 3.3Å; A57-G59 PolarHBondContact O-N 3.06Å
60	S	66.4	Low	65.4	Low	40 Å²	40	78 Å²	78	28%	0.28	38%	0.381	S	S	.	.			trans	-140.7	133	176.9	169	0	0	0	0	112.1	N58 D62 K63 A64	N58-S60 PolarHBondContact O-N 3.25Å; S60-D62 VanDerWaalsContact C-N 3.26Å; S60-D62 PolarHBondContact O-N 3.47Å; S60-D62 PolarHBondContact OG-N 2.93Å; S60-K63 PolarHBondContact O-N 3.2Å; S60-K63 VanDerWaalsContact O-N 3.16Å; S60-A64 PolarHBondContact O-N 3.03Å
61	Y	68.7	Low	66.4	Low	59 Å²	59	75.5 Å²	75.5	23%	0.231	37%	0.365	C	S	.	.	H	α-helix	trans	-52.6	-43.2	175	176.3	-109.7	0	0	0	112.1	K63 A64 I65 W578 D582 L604	Y61-K63 VanDerWaalsContact C-N 3.32Å; Y61-K63 PolarHBondContact O-N 3.21Å; Y61-A64 WeakPolarHBondContact O-CB 3.45Å; Y61-A64 PolarHBondContact O-N 3.49Å; Y61-A64 VanDerWaalsContact O-N 3.11Å; Y61-I65 HydrophobicContact CD1-CG1 4.16Å; Y61-I65 HydrophobicContact CD2-CD1 4.48Å; Y61-I65 HydrophobicContact CD2-CG1 3.87Å; Y61-I65 HydrophobicContact CE1-CD1 4.46Å; Y61-I65 HydrophobicContact CE1-CG1 3.72Å; Y61-I65 HydrophobicContact CE2-CD1 3.63Å; Y61-I65 HydrophobicContact CE2-CG1 3.41Å; Y61-I65 VanDerWaalsContact CE2-CG1 3.41Å; Y61-I65 HydrophobicContact CG-CG1 4.26Å; Y61-I65 WeakPolarHBondContact O-CG1 3.49Å; Y61-I65 PolarHBondContact O-N 2.92Å; Y61-I65 WeakPolarHBondContact OH-CD1 3.36Å; Y61-W578 AromaticContact CD2-CE3 3.52Å; Y61-W578 HydrophobicContact CD2-CE3 3.52Å; Y61-W578 AromaticContact CD2-CZ3 3.53Å; Y61-W578 HydrophobicContact CD2-CZ3 3.53Å; Y61-W578 HydrophobicContact CE2-CE3 4.38Å; Y61-W578 HydrophobicContact CG-CE3 4.38Å; Y61-W578 HydrophobicContact CG-CZ3 4.04Å; Y61-D582 PolarHBondContact OH-OD1 3.24Å; Y61-D582 VanDerWaalsContact OH-OD1 3.13Å; Y61-L604 HydrophobicContact CD2-CB 4.43Å; Y61-L604 HydrophobicContact CD2-CD2 4.01Å; Y61-L604 HydrophobicContact CD2-CG 4.47Å; Y61-L604 HydrophobicContact CE2-CB 3.94Å; Y61-L604 HydrophobicContact CE2-CD2 3.79Å; Y61-L604 HydrophobicContact CE2-CG 4.32Å
62	D	71.2	Confident	67.2	Low	117 Å²	117	79 Å²	79	63%	0.626	38%	0.377	S	S	*	.	H	α-helix	trans	-61.7	-41.3	-178.9	-65	-40.6	0	0	0	111.5	S60 V66	S60-D62 VanDerWaalsContact C-N 3.26Å; S60-D62 PolarHBondContact O-N 3.47Å; S60-D62 PolarHBondContact OG-N 2.93Å; D62-V66 VanDerWaalsContact O-CG2 3.26Å; D62-V66 WeakPolarHBondContact O-CG2 3.24Å; D62-V66 PolarHBondContact O-N 2.93Å
63	K	70.9	Confident	67.9	Low	123 Å²	123	90.7 Å²	90.7	54%	0.535	42%	0.421	S	S	.	.	H	α-helix	trans	-67.3	-40.3	175	-68.8	-179	-177.5	171.7	0	111.7	S60 Y61 R67	S60-K63 PolarHBondContact O-N 3.2Å; S60-K63 VanDerWaalsContact O-N 3.16Å; Y61-K63 VanDerWaalsContact C-N 3.32Å; Y61-K63 PolarHBondContact O-N 3.21Å; K63-R67 PolarHBondContact O-N 2.93Å
64	A	72.1	Confident	68.9	Low	0 Å²	0	93.4 Å²	93.4	0%	0	43%	0.434	C	S	.	.	H	α-helix	trans	-60.2	-50.3	176.4	0	0	0	0	0	110.8	A57 S60 Y61 V66 R67 L68 W578	A57-A64 HydrophobicContact CB-CB 3.63Å; S60-A64 PolarHBondContact O-N 3.03Å; Y61-A64 WeakPolarHBondContact O-CB 3.45Å; Y61-A64 PolarHBondContact O-N 3.49Å; Y61-A64 VanDerWaalsContact O-N 3.11Å; A64-V66 PolarHBondContact O-N 3.02Å; A64-R67 PolarHBondContact O-N 3.19Å; A64-R67 VanDerWaalsContact O-N 3.16Å; A64-L68 WeakPolarHBondContact O-CG 3.26Å; A64-L68 PolarHBondContact O-N 2.82Å; A64-W578 HydrophobicContact CB-CB 3.82Å; A64-W578 HydrophobicContact CB-CD2 4.01Å; A64-W578 HydrophobicContact CB-CG 3.62Å
65	I	72.7	Confident	69.9	Low	21 Å²	21	90.5 Å²	90.5	11%	0.108	41%	0.412	C	S	.	.	H	α-helix	trans	-64	-40.1	-178.8	-72.3	-69.3	0	0	0	112.2	Y61 R67 L68 R69 D582	Y61-I65 HydrophobicContact CD1-CG1 4.16Å; Y61-I65 HydrophobicContact CD2-CD1 4.48Å; Y61-I65 HydrophobicContact CD2-CG1 3.87Å; Y61-I65 HydrophobicContact CE1-CD1 4.46Å; Y61-I65 HydrophobicContact CE1-CG1 3.72Å; Y61-I65 HydrophobicContact CE2-CD1 3.63Å; Y61-I65 HydrophobicContact CE2-CG1 3.41Å; Y61-I65 VanDerWaalsContact CE2-CG1 3.41Å; Y61-I65 HydrophobicContact CG-CG1 4.26Å; Y61-I65 WeakPolarHBondContact O-CG1 3.49Å; Y61-I65 PolarHBondContact O-N 2.92Å; Y61-I65 WeakPolarHBondContact OH-CD1 3.36Å; I65-R67 VanDerWaalsContact C-N 3.31Å; I65-R67 PolarHBondContact O-N 3.08Å; I65-L68 HydrophobicContact CD1-CD1 4.18Å; I65-L68 PolarHBondContact O-N 3.21Å; I65-R69 HydrophobicContact CG2-CG 4.4Å; I65-R69 WeakPolarHBondContact O-CB 3.43Å; I65-R69 WeakPolarHBondContact O-CG 3.33Å; I65-R69 PolarHBondContact O-N 3.16Å; I65-D582 HydrophobicContact CD1-CB 4.2Å
66	V	74.8	Confident	71	Confident	74 Å²	74	88.4 Å²	88.4	45%	0.448	40%	0.401	S	S	.	.	H	α-helix	trans	-57.6	-48.4	174.2	170.7	0	0	0	0	109.9	D62 A64 R69 Y70	D62-V66 VanDerWaalsContact O-CG2 3.26Å; D62-V66 WeakPolarHBondContact O-CG2 3.24Å; D62-V66 PolarHBondContact O-N 2.93Å; A64-V66 PolarHBondContact O-N 3.02Å; V66-R69 PolarHBondContact O-N 2.89Å; V66-Y70 HydrophobicContact CG1-CD2 4.19Å; V66-Y70 HydrophobicContact CG1-CE2 3.88Å; V66-Y70 WeakPolarHBondContact O-CD2 3.4Å; V66-Y70 PolarHBondContact O-N 3.38Å
67	R	74.3	Confident	72.3	Confident	106 Å²	106	86.2 Å²	86.2	40%	0.4	40%	0.398	S	S	.	.	H	α-helix	trans	-63.7	-42.6	176.5	-72.3	-177.4	177	179.4	2	112.8	R56 K63 A64 I65 R69 Y70 L71 L575	R56-R67 PolarHBondContact O-NH1 3.27Å; K63-R67 PolarHBondContact O-N 2.93Å; A64-R67 PolarHBondContact O-N 3.19Å; A64-R67 VanDerWaalsContact O-N 3.16Å; I65-R67 VanDerWaalsContact C-N 3.31Å; I65-R67 PolarHBondContact O-N 3.08Å; R67-R69 VanDerWaalsContact C-N 3.3Å; R67-R69 PolarHBondContact O-N 3.25Å; R67-Y70 PolarHBondContact O-N 2.81Å; R67-L71 WeakPolarHBondContact O-CG 3.29Å; R67-L71 PolarHBondContact O-N 2.59Å; R67-L575 HydrophobicContact CB-CD1 4.34Å
68	L	76.2	Confident	73.6	Confident	8 Å²	8	87.8 Å²	87.8	4%	0.042	41%	0.407	C	S	.	.	H	α-helix	trans	-61.7	-37.4	177.4	-72.1	170.9	0	0	0	112	A64 I65 Y70 L71 R72 L75 L575 W578 Y579	A64-L68 WeakPolarHBondContact O-CG 3.26Å; A64-L68 PolarHBondContact O-N 2.82Å; I65-L68 HydrophobicContact CD1-CD1 4.18Å; I65-L68 PolarHBondContact O-N 3.21Å; L68-Y70 VanDerWaalsContact C-N 3.35Å; L68-Y70 PolarHBondContact O-N 3.37Å; L68-L71 CarbonylContact O-C 3.55Å; L68-L71 PolarHBondContact O-N 3.34Å; L68-R72 WeakPolarHBondContact O-CA 3.43Å; L68-R72 PolarHBondContact O-N 3Å; L68-L75 HydrophobicContact CB-CD1 4.29Å; L68-L75 HydrophobicContact CD2-CD1 3.73Å; L68-L75 HydrophobicContact CD2-CD2 3.97Å; L68-L575 HydrophobicContact CD1-CD1 4.46Å; L68-L575 HydrophobicContact CD2-CD1 3.68Å; L68-L575 HydrophobicContact CD2-CD2 4.24Å; L68-L575 HydrophobicContact CD2-CG 3.65Å; L68-L575 HydrophobicContact CG-CD1 3.72Å; L68-L575 HydrophobicContact CG-CG 4.28Å; L68-W578 HydrophobicContact CD1-CB 4.28Å; L68-Y579 HydrophobicContact CD1-CD2 4.47Å; L68-Y579 HydrophobicContact CD2-CD2 4.11Å; L68-Y579 HydrophobicContact CD2-CG 4.18Å
69	R	76.1	Confident	74.8	Confident	187 Å²	187	86.9 Å²	86.9	71%	0.706	40%	0.398	S	S	*	.	H	α-helix	trans	-61	-42.9	174.6	-76.6	178.3	-173.6	178.7	3.6	111.9	I65 V66 R67 R72	I65-R69 HydrophobicContact CG2-CG 4.4Å; I65-R69 WeakPolarHBondContact O-CB 3.43Å; I65-R69 WeakPolarHBondContact O-CG 3.33Å; I65-R69 PolarHBondContact O-N 3.16Å; V66-R69 PolarHBondContact O-N 2.89Å; R67-R69 VanDerWaalsContact C-N 3.3Å; R67-R69 PolarHBondContact O-N 3.25Å; R69-R72 WeakPolarHBondContact O-CB 3.43Å; R69-R72 PolarHBondContact O-N 3.35Å
70	Y	75.6	Confident	75.9	Confident	197 Å²	197	87.9 Å²	87.9	77%	0.773	39%	0.393	S	S	*	.	H	α-helix	trans	-66.9	-38.1	176	-77.4	-73.6	0	0	0	112.5	V66 R67 L68 R72	V66-Y70 HydrophobicContact CG1-CD2 4.19Å; V66-Y70 HydrophobicContact CG1-CE2 3.88Å; V66-Y70 WeakPolarHBondContact O-CD2 3.4Å; V66-Y70 PolarHBondContact O-N 3.38Å; R67-Y70 PolarHBondContact O-N 2.81Å; L68-Y70 VanDerWaalsContact C-N 3.35Å; L68-Y70 PolarHBondContact O-N 3.37Å; Y70-R72 VanDerWaalsContact C-N 3.33Å
71	L	76	Confident	76.3	Confident	43 Å²	43	86.9 Å²	86.9	23%	0.225	39%	0.385	C	S	.	.	H	α-helix	trans	-88.5	4.1	-178.7	-60.9	179.1	0	0	0	113.6	Y52 R67 L68 R73 L74 L75 L575	Y52-L71 HydrophobicContact CE1-CB 4.31Å; Y52-L71 HydrophobicContact CE1-CD1 3.73Å; R67-L71 WeakPolarHBondContact O-CG 3.29Å; R67-L71 PolarHBondContact O-N 2.59Å; L68-L71 CarbonylContact O-C 3.55Å; L68-L71 PolarHBondContact O-N 3.34Å; L71-R73 PolarHBondContact O-N 2.98Å; L71-L74 HydrophobicContact CD2-CD1 4.12Å; L71-L74 WeakPolarHBondContact O-CA 3.39Å; L71-L74 WeakPolarHBondContact O-CB 3.36Å; L71-L74 PolarHBondContact O-N 3.09Å; L71-L75 PolarHBondContact O-N 3.09Å; L71-L575 HydrophobicContact CD1-CD2 3.57Å
72	R	73.3	Confident	76.1	Confident	177 Å²	177	91.7 Å²	91.7	67%	0.668	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-31.5	-170.3	-167.9	174.9	-174.3	-177.7	1.9	114.2	L68 R69 Y70 L74 L75	L68-R72 WeakPolarHBondContact O-CA 3.43Å; L68-R72 PolarHBondContact O-N 3Å; R69-R72 WeakPolarHBondContact O-CB 3.43Å; R69-R72 PolarHBondContact O-N 3.35Å; Y70-R72 VanDerWaalsContact C-N 3.33Å; R72-L74 VanDerWaalsContact C-N 3.25Å; R72-L74 PolarHBondContact O-N 3.35Å; R72-L75 PolarHBondContact O-N 3.09Å
73	R	72.6	Confident	75.1	Confident	249 Å²	249	96 Å²	96	94%	0.94	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-17.5	177.3	-67.8	-174.6	178.7	-178.6	0.1	114.1	L71	L71-R73 PolarHBondContact O-N 2.98Å
74	L	74.8	Confident	73.8	Confident	101 Å²	101	94.9 Å²	94.9	53%	0.529	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-22.2	177.8	-61.9	173.7	0	0	0	111.4	F48 Y52 L71 R72	F48-L74 HydrophobicContact CE2-CB 4.26Å; F48-L74 WeakPolarHBondContact CE2-O 3.35Å; F48-L74 WeakPolarHBondContact CZ-O 3.43Å; Y52-L74 WeakPolarHBondContact OH-CB 3.34Å; L71-L74 HydrophobicContact CD2-CD1 4.12Å; L71-L74 WeakPolarHBondContact O-CA 3.39Å; L71-L74 WeakPolarHBondContact O-CB 3.36Å; L71-L74 PolarHBondContact O-N 3.09Å; R72-L74 VanDerWaalsContact C-N 3.25Å; R72-L74 PolarHBondContact O-N 3.35Å
75	L	77.5	Confident	72	Confident	18 Å²	18	106.4 Å²	106.4	9%	0.094	45%	0.452	C	S	.	.	S	Bend	trans	-65.9	143.8	179.7	-63.8	172.3	0	0	0	111.1	F48 Y52 L68 L71 R72 Y579	F48-L75 HydrophobicContact CZ-CD2 4.14Å; Y52-L75 HydrophobicContact CD1-CD2 4.09Å; Y52-L75 HydrophobicContact CE1-CD2 3.64Å; L68-L75 HydrophobicContact CB-CD1 4.29Å; L68-L75 HydrophobicContact CD2-CD1 3.73Å; L68-L75 HydrophobicContact CD2-CD2 3.97Å; L71-L75 PolarHBondContact O-N 3.09Å; R72-L75 PolarHBondContact O-N 3.09Å; L75-Y579 HydrophobicContact CB-CE1 3.92Å; L75-Y579 HydrophobicContact CB-CE2 4.11Å; L75-Y579 HydrophobicContact CD1-CD2 3.6Å; L75-Y579 HydrophobicContact CD1-CE2 3.52Å; L75-Y579 HydrophobicContact CD1-CG 4.19Å; L75-Y579 HydrophobicContact CD2-CD1 4.07Å; L75-Y579 HydrophobicContact CD2-CD2 4.34Å; L75-Y579 HydrophobicContact CD2-CE1 4.29Å; L75-Y579 HydrophobicContact CD2-CG 4.09Å; L75-Y579 HydrophobicContact CG-CD2 4.42Å; L75-Y579 HydrophobicContact CG-CE1 4.46Å; L75-Y579 HydrophobicContact CG-CE2 4.27Å
76	P	81.2	Confident	70.6	Confident	6 Å²	6	107.1 Å²	107.1	4%	0.039	47%	0.465	C	S	.	.	P	Polyproline II helix	trans	-66.3	147.3	-179.1	27.3	-33.8	0	0	0	111.1	F48 Y579 Y665 A670 L672	F48-P76 HydrophobicContact CE1-CG 4.19Å; P76-Y579 HydrophobicContact CG-CE1 3.89Å; P76-Y579 PolarHBondContact O-OH 3.16Å; P76-Y665 HydrophobicContact CB-CD2 4.33Å; P76-Y665 HydrophobicContact CB-CE2 3.59Å; P76-Y665 HydrophobicContact CG-CD2 4.37Å; P76-Y665 HydrophobicContact CG-CE2 3.84Å; P76-A670 WeakPolarHBondContact CA-O 3.36Å; P76-A670 HydrophobicContact CB-CB 4.49Å; P76-A670 WeakPolarHBondContact CB-O 3.48Å; P76-L672 HydrophobicContact CB-CG 4.38Å; P76-L672 HydrophobicContact CG-CD1 3.73Å; P76-L672 HydrophobicContact CG-CG 3.8Å
77	E	85.9	Confident	69.2	Low	116 Å²	116	104.8 Å²	104.8	54%	0.542	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	141.8	175.6	-170.8	-169.1	159.7	0	0	109.8	K79 A670 V671 L672	E77-K79 WeakPolarHBondContact OE1-CE 3.46Å; E77-K79 IonicContact OE1-NZ 2.67Å; E77-A670 PolarHBondContact N-O 3.29Å; E77-V671 HydrophobicContact CB-CG2 4.4Å; E77-V671 CarbonylContact O-C 3.53Å; E77-V671 VanDerWaalsContact O-CA 3.28Å; E77-V671 WeakPolarHBondContact O-CA 3.28Å; E77-V671 WeakPolarHBondContact O-CG1 3.48Å; E77-L672 PolarHBondContact O-N 2.85Å
78	V	85.5	Confident	67.7	Low	33 Å²	33	101.3 Å²	101.3	20%	0.2	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	128.6	176.4	179.2	0	0	0	0	109.9	Y579 E583 L672 I674	V78-Y579 HydrophobicContact CG2-CE1 4.49Å; V78-Y579 WeakPolarHBondContact CG2-OH 3Å; V78-E583 HydrophobicContact CG1-CB 4.34Å; V78-E583 HydrophobicContact CG2-CB 3.95Å; V78-E583 HydrophobicContact CG2-CG 3.66Å; V78-L672 CarbonylContact C-O 3.57Å; V78-L672 WeakPolarHBondContact CA-O 3.29Å; V78-L672 HydrophobicContact CG2-CB 4.11Å; V78-L672 HydrophobicContact CG2-CD1 4.28Å; V78-I674 HydrophobicContact CG1-CD1 3.64Å; V78-I674 HydrophobicContact CG1-CG1 4.12Å
79	K	85.8	Confident	66.2	Low	95 Å²	95	111.3 Å²	111.3	41%	0.413	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	119.4	170.8	-61.5	-176.4	-178.5	177.3	0	109.5	E77 V81 V671 L672 L673 I674	E77-K79 WeakPolarHBondContact OE1-CE 3.46Å; E77-K79 IonicContact OE1-NZ 2.67Å; K79-V81 PolarHBondContact O-N 2.79Å; K79-V671 HydrophobicContact CB-CG1 4.33Å; K79-V671 HydrophobicContact CD-CG1 3.97Å; K79-V671 HydrophobicContact CG-CG1 3.91Å; K79-L672 PolarHBondContact N-O 3.17Å; K79-L673 HydrophobicContact CB-CD2 3.9Å; K79-L673 WeakPolarHBondContact O-CA 3.37Å; K79-I674 PolarHBondContact O-N 3.16Å
80	V	81.6	Confident	64.5	Low	75 Å²	75	102.9 Å²	102.9	46%	0.455	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	113.3	170.4	-176.8	0	0	0	0	107.2	A587 I674 L676	V80-A587 HydrophobicContact CG2-CB 3.66Å; V80-I674 WeakPolarHBondContact CA-O 3.45Å; V80-L676 HydrophobicContact CG1-CD1 3.69Å; V80-L676 HydrophobicContact CG1-CG 3.95Å
81	V	75.8	Confident	62.7	Low	19 Å²	19	95.2 Å²	95.2	12%	0.115	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	142.1	-177.6	-68.1	0	0	0	0	110	K79 Q84 L673 I674 D675	K79-V81 PolarHBondContact O-N 2.79Å; V81-Q84 HydrophobicContact CG1-CG 4.39Å; V81-L673 HydrophobicContact CG1-CD2 4.28Å; V81-I674 PolarHBondContact N-O 3.42Å; V81-D675 HydrophobicContact CG2-CB 4.27Å
82	R	64.7	Low	61	Low	161 Å²	161	99.2 Å²	99.2	61%	0.608	43%	0.431	S	S	*	.	S	Bend	trans	-116.4	114	164	-73.3	-175.8	178	-171.4	-3.8	106.6
83	R	50.8	Low	59.4	Low	206 Å²	206	97.9 Å²	97.9	78%	0.777	43%	0.43	S	S	*	.	S	Bend	trans	47.6	78.5	173.8	-63.6	178.2	177.8	-179.6	-2.5	113.5	Y85	R83-Y85 PolarHBondContact O-N 3.4Å
84	Q	43.1	Very low	58	Low	100 Å²	100	89.7 Å²	89.7	47%	0.467	40%	0.401	S	S	.	.			trans	-70.7	127.2	170.7	-105.8	180	-25.4	0	0	111.2	V81	V81-Q84 HydrophobicContact CG1-CG 4.39Å
85	Y	34.3	Very low	56.3	Low	243 Å²	243	88.2 Å²	88.2	95%	0.953	40%	0.404	S	S	*	.	S	Bend	trans	-70.9	129.2	163.4	-125.9	-96.1	0	0	0	108.4	R83	R83-Y85 PolarHBondContact O-N 3.4Å
86	G	43.2	Very low	54.5	Low	36 Å²	36	92.7 Å²	92.7	37%	0.371	43%	0.432	S	S	.	.	S	Bend	trans	99.3	-12.7	169.9	0	0	0	0	0	117.4
87	I	45	Very low	53.1	Low	25 Å²	25	94.1 Å²	94.1	13%	0.128	45%	0.448	C	S	.	.	B	Isolated β-bridge	trans	-88.9	116.5	162.4	-58.3	-173.3	0	0	0	105.9	R89 F91 V104 L673	I87-R89 PolarHBondContact O-N 2.71Å; I87-F91 HydrophobicContact CG2-CE2 4.44Å; I87-V104 HydrophobicContact CG2-CG1 4.05Å; I87-L673 HydrophobicContact CD1-CD1 4.45Å
88	E	43.2	Very low	52.1	Low	32 Å²	32	94.7 Å²	94.7	15%	0.15	46%	0.459	C	S	.	.			trans	-47.7	132.1	172	-87.9	-169.8	141.8	0	0	107.8	S90 R102 R236 M237 M240	E88-S90 PolarHBondContact O-N 2.74Å; E88-S90 PolarHBondContact O-OG 3.33Å; E88-R102 IonicContact OE1-NH2 3.86Å; E88-R102 IonicContact OE2-CZ 3.16Å; E88-R102 IonicContact OE2-NH2 3.73Å; E88-R102 PolarHBondContact OE2-NH2 3.13Å; E88-R236 IonicContact OE1-NE 2.69Å; E88-R236 IonicContact OE2-CZ 3.56Å; E88-R236 IonicContact OE2-NE 3.74Å; E88-R236 IonicContact OE2-NH2 3.25Å; E88-R236 PolarHBondContact OE2-NH2 3.33Å; E88-M237 HydrophobicContact CG-CE 4.27Å; E88-M237 WeakPolarHBondContact OE2-CE 3.39Å; E88-M240 HydrophobicContact CG-CE 4.42Å
89	R	44.1	Very low	51.8	Low	219 Å²	219	93.6 Å²	93.6	83%	0.826	46%	0.455	S	S	*	.			trans	-61.3	50.1	-175.3	-73.8	179.3	171.1	177.3	-1.1	113.8	I87 F91	I87-R89 PolarHBondContact O-N 2.71Å; R89-F91 PolarHBondContact O-N 3.09Å; R89-F91 VanDerWaalsContact O-N 3.08Å
90	S	41.3	Very low	51.9	Low	9 Å²	9	90 Å²	90	6%	0.063	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-16	177.6	52.5	0	0	0	0	112.2	E88 K92 F94 V104	E88-S90 PolarHBondContact O-N 2.74Å; E88-S90 PolarHBondContact O-OG 3.33Å; S90-K92 PolarHBondContact O-N 3.29Å; S90-K92 VanDerWaalsContact O-N 3.13Å; S90-F94 WeakPolarHBondContact O-CE2 3.31Å; S90-F94 VanDerWaalsContact O-CZ 3.31Å; S90-F94 WeakPolarHBondContact O-CZ 3.27Å; S90-V104 WeakPolarHBondContact OG-CG2 3.22Å
91	F	37.3	Very low	52	Low	36 Å²	36	86.8 Å²	86.8	16%	0.158	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	10	-179.4	-69.6	-59	0	0	0	116.6	I87 R89 K93 L664 L678	I87-F91 HydrophobicContact CG2-CE2 4.44Å; R89-F91 PolarHBondContact O-N 3.09Å; R89-F91 VanDerWaalsContact O-N 3.08Å; F91-K93 PolarHBondContact O-N 2.9Å; F91-L664 HydrophobicContact CE1-CB 3.88Å; F91-L664 HydrophobicContact CE1-CD2 4.27Å; F91-L664 HydrophobicContact CZ-CB 3.87Å; F91-L664 HydrophobicContact CZ-CD2 3.68Å; F91-L664 HydrophobicContact CZ-CG 4.33Å; F91-L678 HydrophobicContact CB-CD1 3.41Å; F91-L678 VanDerWaalsContact CB-CD1 3.41Å; F91-L678 HydrophobicContact CB-CD2 3.85Å; F91-L678 HydrophobicContact CB-CG 4.13Å; F91-L678 HydrophobicContact CD1-CD1 3.27Å; F91-L678 HydrophobicContact CE1-CD1 4.16Å; F91-L678 HydrophobicContact CG-CD1 3.53Å; F91-L678 WeakPolarHBondContact O-CD2 3.26Å
92	K	40.5	Very low	52.3	Low	127 Å²	127	86.5 Å²	86.5	55%	0.552	42%	0.419	S	S	*	.	S	Bend	trans	-55.8	130.5	173.8	-79.3	-179.1	-176	163.3	0	109.2	S90 F94 N509	S90-K92 PolarHBondContact O-N 3.29Å; S90-K92 VanDerWaalsContact O-N 3.13Å; K92-F94 WeakPolarHBondContact O-CD2 3.45Å; K92-F94 PolarHBondContact O-N 3.06Å; K92-N509 PolarHBondContact NZ-OD1 2.82Å
93	K	39.3	Very low	53.2	Low	150 Å²	150	79.1 Å²	79.1	65%	0.652	39%	0.392	S	S	*	.			trans	-46.2	95.6	177.2	-160.6	174.4	-169.5	175.3	0	109.6	F91 A95 S680	F91-K93 PolarHBondContact O-N 2.9Å; K93-A95 PolarHBondContact O-N 3.24Å; K93-S680 PolarHBondContact NZ-OG 3Å; K93-S680 VanDerWaalsContact NZ-OG 3.11Å
94	F	42.3	Very low	54.5	Low	76 Å²	76	69.7 Å²	69.7	33%	0.333	36%	0.357	S	S	.	.			trans	-68	128.1	-177.5	-74.5	-81.5	0	0	0	107.1	S90 K92 T96 R102	S90-F94 WeakPolarHBondContact O-CE2 3.31Å; S90-F94 VanDerWaalsContact O-CZ 3.31Å; S90-F94 WeakPolarHBondContact O-CZ 3.27Å; K92-F94 WeakPolarHBondContact O-CD2 3.45Å; K92-F94 PolarHBondContact O-N 3.06Å; F94-T96 PolarHBondContact O-N 3.22Å; F94-R102 HydrophobicContact CE1-CB 4.49Å; F94-R102 HydrophobicContact CZ-CB 4.22Å
95	A	39.5	Very low	56.3	Low	71 Å²	71	65.2 Å²	65.2	59%	0.587	34%	0.336	S	S	*	.			trans	-52	132.7	171.7	0	0	0	0	0	108.2	K93 G97	K93-A95 PolarHBondContact O-N 3.24Å; A95-G97 VanDerWaalsContact C-N 3.27Å; A95-G97 PolarHBondContact O-N 3.42Å
96	T	40.3	Very low	58.5	Low	112 Å²	112	54.5 Å²	54.5	69%	0.687	30%	0.295	S	S	*	.	S	Bend	trans	-49.7	92.4	166.8	37.9	0	0	0	0	108.7	F94	F94-T96 PolarHBondContact O-N 3.22Å
97	G	52.4	Low	60.5	Low	36 Å²	36	54.4 Å²	54.4	37%	0.371	29%	0.286	S	S	.	.			trans	-155.4	143.6	-165.9	0	0	0	0	0	112.3	A95 G99	A95-G97 VanDerWaalsContact C-N 3.27Å; A95-G97 PolarHBondContact O-N 3.42Å; G97-G99 PolarHBondContact O-N 2.75Å
98	T	64.7	Low	62.4	Low	127 Å²	127	57.9 Å²	57.9	78%	0.779	31%	0.305	S	S	*	.	S	Bend	trans	-73.9	10	175.7	53.5	0	0	0	0	113.5
99	G	79.6	Confident	64.1	Low	10 Å²	10	56.4 Å²	56.4	10%	0.103	30%	0.298	C	S	.	.	S	Bend	trans	-85.3	-177.4	-177.3	0	0	0	0	0	113.3	G97 V101	G97-G99 PolarHBondContact O-N 2.75Å; G99-V101 PolarHBondContact O-N 3.44Å
100	C	87	Confident	65.8	Low	20 Å²	20	49.1 Å²	49.1	14%	0.135	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-61.3	122.4	175.5	179.8	0	0	0	0	112.3	M261 L511 R550 C564	C100-M261 HydrophobicContact CB-CE 3.99Å; C100-M261 WeakPolarHBondContact O-CE 3.45Å; C100-M261 WeakPolarHBondContact SG-CE 3.21Å; C100-L511 HydrophobicContact CB-CB 3.92Å; C100-L511 HydrophobicContact CB-CD2 3.98Å; C100-L511 HydrophobicContact CB-CG 4.42Å; C100-R550 PolarHBondContact N-O 2.83Å; C100-C564 HydrophobicContact CB-CB 3.81Å; C100-C564 WeakPolarHBondContact CB-SG 3.4Å; C100-C564 WeakPolarHBondContact SG-CB 3.15Å; C100-C564 CovalentContact SG-SG 2.02Å; C100-C564 PolarHBondContact SG-SG 2.69Å
101	V	82.6	Confident	67.3	Low	7 Å²	7	52 Å²	52	4%	0.042	29%	0.293	C	S	.	.	B	Isolated β-bridge	trans	-93.4	128.9	168.8	-175.7	0	0	0	0	108.3	G99 L565 W567	G99-V101 PolarHBondContact O-N 3.44Å; V101-L565 HydrophobicContact CB-CB 4.1Å; V101-L565 VanDerWaalsContact CB-O 3.27Å; V101-L565 WeakPolarHBondContact CB-O 3.1Å; V101-L565 PolarHBondContact N-O 2.84Å; V101-L565 PolarHBondContact O-N 2.96Å; V101-W567 HydrophobicContact CG1-CZ2 4.36Å; V101-W567 VanDerWaalsContact CG2-CD1 3.44Å; V101-W567 HydrophobicContact CG2-CG 4.23Å; V101-W567 VanDerWaalsContact CG2-NE1 3.3Å
102	R	83.2	Confident	69.2	Low	14 Å²	14	50.2 Å²	50.2	5%	0.053	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-70.7	129.7	-178.3	-176.5	-175.8	174.6	178.3	4.5	110.5	E88 F94 E260 M261	E88-R102 IonicContact OE1-NH2 3.86Å; E88-R102 IonicContact OE2-CZ 3.16Å; E88-R102 IonicContact OE2-NH2 3.73Å; E88-R102 PolarHBondContact OE2-NH2 3.13Å; F94-R102 HydrophobicContact CE1-CB 4.49Å; F94-R102 HydrophobicContact CZ-CB 4.22Å; R102-E260 IonicContact CZ-OE2 3.44Å; R102-E260 IonicContact NH1-OE2 3.69Å; R102-E260 PolarHBondContact NH1-OE2 3.29Å; R102-E260 IonicContact NH2-OE2 3.4Å; R102-E260 PolarHBondContact NH2-OE2 3.25Å; R102-M261 HydrophobicContact CB-CE 3.84Å; R102-M261 HydrophobicContact CB-CG 4.08Å; R102-M261 HydrophobicContact CB-SD 4.04Å; R102-M261 HydrophobicContact CG-CG 4.04Å
103	P	82.7	Confident	71.2	Confident	6 Å²	6	47.3 Å²	47.3	4%	0.039	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-66.7	140	170.7	29	-34.8	0	0	0	110.8	L478 S563 L565	P103-L478 HydrophobicContact CB-CD1 4.12Å; P103-L478 HydrophobicContact CB-CD2 3.82Å; P103-L478 HydrophobicContact CG-CD2 3.9Å; P103-S563 WeakPolarHBondContact CD-O 3.29Å; P103-S563 WeakPolarHBondContact CG-O 3.43Å; P103-L565 HydrophobicContact CB-CD1 4.14Å; P103-L565 HydrophobicContact CB-CG 4.15Å
104	V	79.2	Confident	73.2	Confident	8 Å²	8	45.2 Å²	45.2	5%	0.048	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-75.1	135.9	173.5	-175.7	0	0	0	0	109	I87 S90 Y643 L664	I87-V104 HydrophobicContact CG2-CG1 4.05Å; S90-V104 WeakPolarHBondContact OG-CG2 3.22Å; V104-Y643 HydrophobicContact CB-CD2 4.13Å; V104-Y643 HydrophobicContact CB-CG 4.18Å; V104-Y643 HydrophobicContact CG1-CD2 4.23Å; V104-Y643 HydrophobicContact CG1-CG 4.36Å; V104-Y643 VanDerWaalsContact O-CD2 3.3Å; V104-Y643 WeakPolarHBondContact O-CD2 3.18Å; V104-L664 HydrophobicContact CB-CD1 4.22Å; V104-L664 HydrophobicContact CB-CD2 4.38Å; V104-L664 HydrophobicContact CG1-CD2 3.94Å; V104-L664 HydrophobicContact CG2-CD1 3.65Å; V104-L664 HydrophobicContact CG2-CD2 4.27Å
105	Q	80.4	Confident	74.9	Confident	5 Å²	5	42.3 Å²	42.3	2%	0.023	26%	0.264	C	S	.	.			trans	-131.4	140.8	177.9	-76	178.8	-57.2	0	0	108.6	M237 Q475 L478	Q105-M237 HydrophobicContact CB-CE 3.63Å; Q105-M237 HydrophobicContact CB-CG 4.34Å; Q105-M237 HydrophobicContact CB-SD 4.25Å; Q105-Q475 VanDerWaalsContact CB-NE2 3.35Å; Q105-L478 HydrophobicContact CG-CB 4.41Å
106	N	80.3	Confident	76.9	Confident	18 Å²	18	40.3 Å²	40.3	10%	0.096	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-110.3	121.4	177.7	177.5	7.3	0	0	0	109.8	N108 D109 Y643	N106-N108 PolarHBondContact O-N 2.84Å; N106-N108 PolarHBondContact OD1-N 3Å; N106-D109 HydrophobicContact CB-CB 4.15Å; N106-D109 WeakPolarHBondContact O-CB 3.01Å; N106-D109 PolarHBondContact O-N 2.84Å; N106-D109 VanDerWaalsContact O-N 3.12Å; N106-Y643 HydrophobicContact CB-CE2 4.27Å; N106-Y643 WeakPolarHBondContact CB-OH 3Å
107	I	84.9	Confident	79.1	Confident	35 Å²	35	39.3 Å²	39.3	18%	0.179	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-29.3	178.8	-164	171	0	0	0	111.6	M237 M240 R241	I107-M237 HydrophobicContact CB-SD 4.19Å; I107-M237 HydrophobicContact CG1-SD 4.46Å; I107-M240 HydrophobicContact CD1-CB 3.68Å; I107-M240 HydrophobicContact CD1-CE 4.4Å; I107-R241 HydrophobicContact CD1-CG 4.34Å; I107-R241 HydrophobicContact CG1-CG 3.78Å; I107-R241 VanDerWaalsContact O-CZ 3.29Å; I107-R241 PolarHBondContact O-NE 3.39Å; I107-R241 PolarHBondContact O-NH2 3.11Å
108	N	85	Confident	80.9	Confident	98 Å²	98	42 Å²	42	52%	0.524	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	40.6	177.4	-61.6	-44.5	0	0	0	111.7	N106 S110 M113	N106-N108 PolarHBondContact O-N 2.84Å; N106-N108 PolarHBondContact OD1-N 3Å; N108-S110 PolarHBondContact O-N 2.93Å; N108-M113 HydrophobicContact CB-CG 4.41Å
109	D	79.7	Confident	82	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.217	C	C	.	.			trans	-61.4	128.8	178.9	-167.8	-82.8	0	0	0	112	N106 E111 I112 M113 Q475 Y643	N106-D109 HydrophobicContact CB-CB 4.15Å; N106-D109 WeakPolarHBondContact O-CB 3.01Å; N106-D109 PolarHBondContact O-N 2.84Å; N106-D109 VanDerWaalsContact O-N 3.12Å; D109-E111 PolarHBondContact O-N 3.13Å; D109-E111 VanDerWaalsContact OD1-CB 3.27Å; D109-E111 WeakPolarHBondContact OD1-CB 3.48Å; D109-E111 PolarHBondContact OD1-N 2.69Å; D109-I112 HydrophobicContact CB-CG2 4.1Å; D109-I112 PolarHBondContact O-N 2.9Å; D109-M113 WeakPolarHBondContact O-CB 2.98Å; D109-M113 WeakPolarHBondContact O-CG 3.31Å; D109-M113 PolarHBondContact O-N 3.23Å; D109-Q475 HydrophobicContact CB-CB 4.18Å; D109-Q475 HydrophobicContact CB-CG 3.76Å; D109-Y643 PolarHBondContact OD2-OH 3.04Å
110	S	78.7	Confident	82.4	Confident	67 Å²	67	41 Å²	41	47%	0.469	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-22.1	-174.8	44.6	0	0	0	0	114.1	N108 P114	N108-S110 PolarHBondContact O-N 2.93Å; S110-P114 WeakPolarHBondContact O-CD 3.34Å
111	E	74.5	Confident	82.5	Confident	68 Å²	68	45.5 Å²	45.5	32%	0.318	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-34	176.5	-59.5	-169.5	131.5	0	0	111.6	D109 T473 K474 T668	D109-E111 PolarHBondContact O-N 3.13Å; D109-E111 VanDerWaalsContact OD1-CB 3.27Å; D109-E111 WeakPolarHBondContact OD1-CB 3.48Å; D109-E111 PolarHBondContact OD1-N 2.69Å; E111-T473 HydrophobicContact CB-CG2 3.88Å; E111-K474 WeakPolarHBondContact OE2-CB 3.29Å; E111-K474 PolarHBondContact OE2-N 3.15Å; E111-T668 HydrophobicContact CG-CG2 4.28Å
112	I	76.6	Confident	82.8	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104	-28.9	-171.3	-149.4	-178.8	0	0	0	113.7	D109 P114 L115 F116 E470 Q475 E479	D109-I112 HydrophobicContact CB-CG2 4.1Å; D109-I112 PolarHBondContact O-N 2.9Å; I112-P114 VanDerWaalsContact C-N 3.31Å; I112-P114 VanDerWaalsContact O-N 3.16Å; I112-L115 HydrophobicContact CG1-CD1 4.03Å; I112-L115 VanDerWaalsContact O-CB 3.32Å; I112-L115 WeakPolarHBondContact O-CB 3.37Å; I112-L115 WeakPolarHBondContact O-CG 3.47Å; I112-L115 PolarHBondContact O-N 3.08Å; I112-F116 HydrophobicContact CB-CE2 4.4Å; I112-F116 HydrophobicContact CD1-CE2 3.97Å; I112-F116 HydrophobicContact CD1-CZ 4.36Å; I112-F116 HydrophobicContact CG1-CE2 3.84Å; I112-F116 HydrophobicContact CG2-CE2 4Å; I112-F116 WeakPolarHBondContact O-CD2 3.28Å; I112-E470 HydrophobicContact CD1-CG 4.28Å; I112-Q475 HydrophobicContact CG2-CG 4.42Å; I112-E479 WeakPolarHBondContact CD1-OE2 3.13Å
113	M	81.8	Confident	83	Confident	65 Å²	65	53.9 Å²	53.9	32%	0.32	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-54	-34.8	-177	-77.5	-53.9	-60.6	0	0	115.3	N108 D109 L115 F116	N108-M113 HydrophobicContact CB-CG 4.41Å; D109-M113 WeakPolarHBondContact O-CB 2.98Å; D109-M113 WeakPolarHBondContact O-CG 3.31Å; D109-M113 PolarHBondContact O-N 3.23Å; M113-L115 PolarHBondContact O-N 3.01Å; M113-L115 VanDerWaalsContact O-N 3.1Å; M113-F116 PolarHBondContact O-N 3.13Å; M113-F116 VanDerWaalsContact O-N 3.1Å; M113-F116 HydrophobicContact SD-CD2 4.43Å
114	P	82.8	Confident	83.4	Confident	107 Å²	107	54.7 Å²	54.7	70%	0.695	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-60.5	-16.8	175.1	-25.9	36.4	0	0	0	115	S110 I112	S110-P114 WeakPolarHBondContact O-CD 3.34Å; I112-P114 VanDerWaalsContact C-N 3.31Å; I112-P114 VanDerWaalsContact O-N 3.16Å
115	L	77.4	Confident	84	Confident	15 Å²	15	57 Å²	57	8%	0.079	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-84	-18.2	178.4	-53	178.1	0	0	0	112.7	I112 M113 F402 N403 C455 C469 E470	I112-L115 HydrophobicContact CG1-CD1 4.03Å; I112-L115 VanDerWaalsContact O-CB 3.32Å; I112-L115 WeakPolarHBondContact O-CB 3.37Å; I112-L115 WeakPolarHBondContact O-CG 3.47Å; I112-L115 PolarHBondContact O-N 3.08Å; M113-L115 PolarHBondContact O-N 3.01Å; M113-L115 VanDerWaalsContact O-N 3.1Å; L115-F402 HydrophobicContact CB-CZ 3.95Å; L115-F402 WeakPolarHBondContact O-CZ 3.22Å; L115-N403 PolarHBondContact O-ND2 3.13Å; L115-C455 HydrophobicContact CD2-CB 4.5Å; L115-C469 HydrophobicContact CD1-CB 4.03Å; L115-C469 HydrophobicContact CD2-CB 4.18Å; L115-E470 HydrophobicContact CD1-CG 4.46Å
116	F	82.1	Confident	84.3	Confident	29 Å²	29	64 Å²	64	13%	0.127	38%	0.376	C	S	.	.			trans	-94.2	128.8	-177.3	-67.4	-86.6	0	0	0	111.8	I112 M113 S238 K242 F402 N403	I112-F116 HydrophobicContact CB-CE2 4.4Å; I112-F116 HydrophobicContact CD1-CE2 3.97Å; I112-F116 HydrophobicContact CD1-CZ 4.36Å; I112-F116 HydrophobicContact CG1-CE2 3.84Å; I112-F116 HydrophobicContact CG2-CE2 4Å; I112-F116 WeakPolarHBondContact O-CD2 3.28Å; M113-F116 PolarHBondContact O-N 3.13Å; M113-F116 VanDerWaalsContact O-N 3.1Å; M113-F116 HydrophobicContact SD-CD2 4.43Å; F116-S238 WeakPolarHBondContact CZ-OG 3.37Å; F116-K242 HydrophobicContact CD1-CG 4.44Å; F116-F402 HydrophobicContact CD1-CD2 4.13Å; F116-F402 AromaticContact CD1-CE2 3.6Å; F116-F402 HydrophobicContact CD1-CE2 3.6Å; F116-F402 AromaticContact CE1-CD2 3.74Å; F116-F402 HydrophobicContact CE1-CD2 3.74Å; F116-F402 AromaticContact CE1-CE2 3.46Å; F116-F402 HydrophobicContact CE1-CE2 3.46Å; F116-F402 VanDerWaalsContact CE1-CE2 3.46Å; F116-F402 HydrophobicContact CE1-CZ 4.47Å; F116-F402 HydrophobicContact CG-CE2 4.21Å; F116-F402 HydrophobicContact CZ-CD2 4.43Å; F116-F402 AromaticContact CZ-CE2 3.97Å; F116-F402 HydrophobicContact CZ-CE2 3.97Å; F116-N403 WeakPolarHBondContact CA-OD1 3.46Å
117	H	85.6	Confident	84.7	Confident	90 Å²	90	69.1 Å²	69.1	42%	0.417	40%	0.399	S	S	.	.			trans	-147.7	152.2	176	62.2	-80.7	0	0	0	110.4	K242 N403	H117-K242 PolarHBondContact O-NZ 3.17Å; H117-N403 VanDerWaalsContact CE1-CG 3.5Å; H117-N403 PolarHBondContact CE1-ND2 2.62Å; H117-N403 PolarHBondContact N-OD1 3.1Å; H117-N403 PolarHBondContact ND1-ND2 3Å; H117-N403 PolarHBondContact O-OD1 3.25Å; H117-N403 VanDerWaalsContact O-OD1 3.13Å
118	S	90.8	Very high	84.9	Confident	94 Å²	94	71 Å²	71	66%	0.657	42%	0.415	S	S	*	.			trans	-74.1	148.3	179.2	-72	0	0	0	0	112.6	E406	S118-E406 WeakPolarHBondContact CA-OE2 3.26Å; S118-E406 PolarHBondContact OG-OE1 3Å; S118-E406 VanDerWaalsContact OG-OE1 3.08Å
119	V	87.6	Confident	85.3	Confident	38 Å²	38	66.7 Å²	66.7	23%	0.23	39%	0.393	C	S	.	.			trans	-107.4	141.4	179.6	-176.3	0	0	0	0	110.2	N403 R404 E406 L407	V119-N403 HydrophobicContact CG2-CB 3.63Å; V119-N403 WeakPolarHBondContact CG2-O 3.42Å; V119-R404 HydrophobicContact CG1-CG 4.17Å; V119-R404 HydrophobicContact CG2-CG 4.4Å; V119-E406 PolarHBondContact N-OE2 3.4Å; V119-L407 HydrophobicContact CG1-CD1 4.34Å; V119-L407 HydrophobicContact CG1-CG 4.49Å
120	A	88.4	Confident	86	Confident	76 Å²	76	67.3 Å²	67.3	63%	0.628	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-66.1	144.6	176.4	0	0	0	0	0	111.3	L407	A120-L407 WeakPolarHBondContact O-CD2 3.16Å
121	P	88.1	Confident	86.7	Confident	116 Å²	116	64.2 Å²	64.2	75%	0.753	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-55	147.8	175.6	-25.2	34.2	0	0	0	112.7	N123	P121-N123 PolarHBondContact O-N 2.87Å
122	L	88.4	Confident	87.6	Confident	56 Å²	56	62.9 Å²	62.9	29%	0.293	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-67.5	128.9	177.6	-177.5	64.2	0	0	0	110.9	L360	L122-L360 HydrophobicContact CD1-CB 3.56Å; L122-L360 HydrophobicContact CD1-CD1 3.68Å; L122-L360 HydrophobicContact CD1-CG 4.25Å; L122-L360 HydrophobicContact CD2-CB 4.06Å; L122-L360 WeakPolarHBondContact CD2-O 3.44Å; L122-L360 HydrophobicContact CG-CB 4.46Å
123	N	88	Confident	88.5	Confident	140 Å²	140	63.5 Å²	63.5	75%	0.749	38%	0.375	S	S	*	.			trans	-106	92.8	179.2	-167.4	24.3	0	0	0	110.5	P121	P121-N123 PolarHBondContact O-N 2.87Å
124	C	92.1	Very high	89.1	Confident	23 Å²	23	65.7 Å²	65.7	16%	0.155	38%	0.379	C	S	.	.			trans	-85.7	179.7	173.3	-61	0	0	0	0	111.3	N126 C361	C124-N126 PolarHBondContact O-N 3.16Å; C124-C361 WeakPolarHBondContact CA-SG 3.3Å; C124-C361 HydrophobicContact CB-CB 3.7Å; C124-C361 WeakPolarHBondContact CB-SG 3.33Å; C124-C361 WeakPolarHBondContact SG-CB 3.27Å; C124-C361 CovalentContact SG-SG 2.04Å; C124-C361 PolarHBondContact SG-SG 3.3Å
125	S	90.7	Very high	89.5	Confident	56 Å²	56	64 Å²	64	39%	0.392	37%	0.365	S	S	.	.			trans	-59.8	138	179.6	-173.2	0	0	0	0	111.6	E127 G363 S364	S125-E127 PolarHBondContact O-N 3.07Å; S125-E127 PolarHBondContact OG-N 3.2Å; S125-E127 VanDerWaalsContact OG-N 3.16Å; S125-G363 VanDerWaalsContact CB-C 3.48Å; S125-G363 VanDerWaalsContact CB-O 3.27Å; S125-G363 WeakPolarHBondContact CB-O 3.33Å; S125-G363 PolarHBondContact N-O 2.74Å; S125-S364 WeakPolarHBondContact O-CA 3.47Å; S125-S364 VanDerWaalsContact O-CB 3.28Å; S125-S364 WeakPolarHBondContact O-CB 3.37Å
126	N	87.3	Confident	90.4	Very high	152 Å²	152	63.6 Å²	63.6	81%	0.813	36%	0.364	S	S	*	.	S	Bend	trans	-73.7	-19	170.6	-70	-26.6	0	0	0	112.2	C124 S128	C124-N126 PolarHBondContact O-N 3.16Å; N126-S128 PolarHBondContact O-N 3.22Å
127	E	87.2	Confident	91	Very high	126 Å²	126	66.5 Å²	66.5	59%	0.589	38%	0.377	S	S	*	.	S	Bend	trans	-78	119.3	176.6	-62.2	-169.7	164	0	0	109.9	S125 S364	S125-E127 PolarHBondContact O-N 3.07Å; S125-E127 PolarHBondContact OG-N 3.2Å; S125-E127 VanDerWaalsContact OG-N 3.16Å; E127-S364 VanDerWaalsContact O-CB 3.31Å; E127-S364 WeakPolarHBondContact O-CB 3.43Å
128	S	90.8	Very high	91.5	Very high	74 Å²	74	62.2 Å²	62.2	52%	0.517	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-60.6	142.2	179.5	-64.5	0	0	0	0	112	N126 W130	N126-S128 PolarHBondContact O-N 3.22Å; S128-W130 PolarHBondContact O-N 2.75Å
129	N	93.5	Very high	91.7	Very high	9 Å²	9	60.3 Å²	60.3	5%	0.048	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-58.5	128.9	172.1	-73.1	-24.5	0	0	0	111.1	F131 N199 L362 G363 S364	N129-F131 PolarHBondContact O-N 2.95Å; N129-N199 VanDerWaalsContact CG-ND2 3.26Å; N129-N199 PolarHBondContact ND2-ND2 3.06Å; N129-N199 PolarHBondContact OD1-ND2 3.48Å; N129-L362 PolarHBondContact ND2-O 2.89Å; N129-L362 VanDerWaalsContact ND2-O 3.07Å; N129-L362 PolarHBondContact OD1-O 3.35Å; N129-G363 WeakPolarHBondContact OD1-CA 3.13Å; N129-S364 PolarHBondContact N-OG 3Å; N129-S364 VanDerWaalsContact N-OG 3.12Å; N129-S364 PolarHBondContact OD1-N 2.82Å
130	W	92.8	Very high	91.9	Very high	12 Å²	12	60 Å²	60	5%	0.045	34%	0.336	C	S	.	.	S	Bend	trans	-68.3	-26.1	-178.7	-64.5	5.9	0	0	0	112.5	S128 L140 M141 A144 P146 I151 C189 A191 K195 Y197	S128-W130 PolarHBondContact O-N 2.75Å; W130-L140 WeakPolarHBondContact O-CD1 3.3Å; W130-M141 WeakPolarHBondContact O-CB 3.48Å; W130-M141 PolarHBondContact O-N 3.47Å; W130-A144 PolarHBondContact NE1-O 3.42Å; W130-P146 HydrophobicContact CZ2-CG 4.11Å; W130-I151 HydrophobicContact CE3-CD1 4.41Å; W130-I151 HydrophobicContact CE3-CG2 4.43Å; W130-I151 HydrophobicContact CH2-CG2 4.42Å; W130-I151 HydrophobicContact CZ3-CB 4.49Å; W130-I151 HydrophobicContact CZ3-CG2 3.85Å; W130-C189 HydrophobicContact CE3-CB 3.8Å; W130-C189 HydrophobicContact CZ3-CB 3.55Å; W130-A191 HydrophobicContact CH2-CB 3.95Å; W130-K195 HydrophobicContact CH2-CB 4.45Å; W130-K195 HydrophobicContact CZ2-CB 4.5Å; W130-Y197 HydrophobicContact CB-CD1 4.13Å; W130-Y197 HydrophobicContact CB-CD2 4.19Å; W130-Y197 HydrophobicContact CB-CE1 4.03Å; W130-Y197 HydrophobicContact CB-CE2 4.11Å; W130-Y197 HydrophobicContact CB-CG 4.19Å; W130-Y197 HydrophobicContact CD2-CD1 4.29Å; W130-Y197 AromaticContact CD2-CD2 3.99Å; W130-Y197 HydrophobicContact CD2-CD2 3.99Å; W130-Y197 AromaticContact CD2-CG 3.71Å; W130-Y197 HydrophobicContact CD2-CG 3.71Å; W130-Y197 VanDerWaalsContact CE3-CB 3.45Å; W130-Y197 HydrophobicContact CE3-CD1 4.19Å; W130-Y197 AromaticContact CE3-CG 3.86Å; W130-Y197 HydrophobicContact CE3-CG 3.86Å; W130-Y197 HydrophobicContact CG-CD1 4.3Å; W130-Y197 AromaticContact CG-CD2 3.8Å; W130-Y197 HydrophobicContact CG-CD2 3.8Å; W130-Y197 HydrophobicContact CG-CE2 4.12Å; W130-Y197 AromaticContact CG-CG 3.89Å; W130-Y197 HydrophobicContact CG-CG 3.89Å; W130-Y197 HydrophobicContact CZ3-CG 4.49Å; W130-Y197 PolarHBondContact N-OH 2.79Å
131	F	94.1	Very high	92	Very high	3 Å²	3	60.1 Å²	60.1	1%	0.013	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	152.7	176.4	-72.2	-89.5	0	0	0	111.3	N129 L138 I139 L140 C153 A174 I187 Y197 H201	N129-F131 PolarHBondContact O-N 2.95Å; F131-L138 HydrophobicContact CB-CD1 4.05Å; F131-L138 HydrophobicContact CD1-CD1 3.65Å; F131-L138 HydrophobicContact CD1-CD2 3.75Å; F131-L138 HydrophobicContact CD1-CG 3.6Å; F131-L138 HydrophobicContact CE1-CD1 4.46Å; F131-L138 HydrophobicContact CE1-CD2 3.71Å; F131-L138 HydrophobicContact CE1-CG 4.01Å; F131-L138 HydrophobicContact CG-CD1 4.16Å; F131-I139 WeakPolarHBondContact CA-O 3.47Å; F131-L140 HydrophobicContact CD1-CB 4.16Å; F131-L140 HydrophobicContact CD1-CD1 4.11Å; F131-L140 HydrophobicContact CD2-CD1 4.26Å; F131-L140 HydrophobicContact CE1-CB 3.81Å; F131-L140 HydrophobicContact CE1-CD1 3.6Å; F131-L140 HydrophobicContact CE1-CG 4.29Å; F131-L140 HydrophobicContact CE2-CD1 3.72Å; F131-L140 HydrophobicContact CG-CD1 4.45Å; F131-L140 HydrophobicContact CZ-CB 4.45Å; F131-L140 HydrophobicContact CZ-CD1 3.39Å; F131-L140 HydrophobicContact CZ-CG 4.46Å; F131-C153 HydrophobicContact CE2-CB 4.25Å; F131-C153 VanDerWaalsContact CE2-SG 3.59Å; F131-C153 HydrophobicContact CZ-CB 4.26Å; F131-A174 HydrophobicContact CZ-CB 4.27Å; F131-I187 HydrophobicContact CB-CD1 3.82Å; F131-I187 HydrophobicContact CD1-CD1 4.1Å; F131-I187 HydrophobicContact CD2-CD1 3.94Å; F131-I187 HydrophobicContact CD2-CG2 3.94Å; F131-I187 HydrophobicContact CE2-CG2 4.06Å; F131-I187 HydrophobicContact CG-CD1 3.68Å; F131-Y197 HydrophobicContact CD2-CE1 4.11Å; F131-H201 PolarHBondContact O-CE1 3.28Å
132	T	94.3	Very high	91.7	Very high	40 Å²	40	61 Å²	61	25%	0.245	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	170.2	162.6	-169.6	0	0	0	0	109.3	I139 M141	T132-I139 HydrophobicContact CG2-CB 3.74Å; T132-I139 HydrophobicContact CG2-CD1 4.33Å; T132-I139 HydrophobicContact CG2-CG2 4.04Å; T132-I139 PolarHBondContact N-O 3.45Å; T132-I139 PolarHBondContact O-N 2.9Å; T132-M141 HydrophobicContact CG2-CG 4.32Å; T132-M141 HydrophobicContact CG2-SD 3.68Å
133	A	95.3	Very high	91.4	Very high	13 Å²	13	67.5 Å²	67.5	11%	0.107	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	131.6	-174.9	0	0	0	0	0	109.7	K137 F185 H201 T203	A133-K137 WeakPolarHBondContact CA-O 3.28Å; A133-F185 HydrophobicContact CB-CE1 4.01Å; A133-F185 HydrophobicContact CB-CZ 3.55Å; A133-H201 HydrophobicContact CB-CB 4.22Å; A133-T203 HydrophobicContact CB-CG2 4.03Å
134	R	94.1	Very high	91.1	Very high	110 Å²	110	62 Å²	62	42%	0.415	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	140.9	177.9	-159.9	176.3	-173	156.9	12.7	111.6	G136 K137 I139 T203 D377	R134-G136 PolarHBondContact O-N 3.02Å; R134-K137 PolarHBondContact N-O 3.37Å; R134-K137 PolarHBondContact O-N 3.06Å; R134-I139 HydrophobicContact CB-CD1 4.15Å; R134-T203 WeakPolarHBondContact CA-OG1 3.48Å; R134-T203 PolarHBondContact N-OG1 3.36Å; R134-D377 VanDerWaalsContact CG-OD1 3.28Å; R134-D377 WeakPolarHBondContact CG-OD1 3.29Å
135	N	91.9	Very high	90.5	Very high	73 Å²	73	61.6 Å²	61.6	39%	0.39	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	41.9	179.8	-55.5	-44.1	0	0	0	112.8	K137 T203 D377 T380 T381	N135-K137 PolarHBondContact O-N 2.93Å; N135-T203 PolarHBondContact N-OG1 3.34Å; N135-D377 PolarHBondContact N-OD1 3.4Å; N135-D377 PolarHBondContact N-OD2 3.36Å; N135-D377 PolarHBondContact OD1-OD1 2.88Å; N135-T380 PolarHBondContact OD1-OG1 3.41Å; N135-T381 WeakPolarHBondContact CA-OG1 3.43Å; N135-T381 PolarHBondContact OD1-OG1 3.11Å
136	G	94.6	Very high	89.6	Confident	6 Å²	6	60 Å²	60	6%	0.062	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.6	16.6	179.2	0	0	0	0	0	114.4	R134 L180 T203 I204	R134-G136 PolarHBondContact O-N 3.02Å; G136-L180 WeakPolarHBondContact O-CB 3.1Å; G136-L180 PolarHBondContact O-N 3.12Å; G136-T203 PolarHBondContact N-OG1 3.48Å; G136-T203 VanDerWaalsContact N-OG1 3.12Å; G136-I204 WeakPolarHBondContact CA-O 3.49Å; G136-I204 PolarHBondContact N-O 2.91Å
137	K	96.2	Very high	88.5	Confident	89 Å²	89	61.9 Å²	61.9	39%	0.387	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	144.4	178.4	-61.7	-170	176.4	-171	0	112.3	A133 R134 N135 N177 M178	A133-K137 WeakPolarHBondContact CA-O 3.28Å; R134-K137 PolarHBondContact N-O 3.37Å; R134-K137 PolarHBondContact O-N 3.06Å; N135-K137 PolarHBondContact O-N 2.93Å; K137-N177 WeakPolarHBondContact CD-OD1 3.35Å; K137-N177 PolarHBondContact NZ-OD1 3.1Å; K137-M178 WeakPolarHBondContact CA-O 3.46Å
138	L	96.1	Very high	87.1	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	134.4	172.9	-172.8	64.3	0	0	0	110.8	F131 L155 A174 N177 M178 L180 F185 I187	F131-L138 HydrophobicContact CB-CD1 4.05Å; F131-L138 HydrophobicContact CD1-CD1 3.65Å; F131-L138 HydrophobicContact CD1-CD2 3.75Å; F131-L138 HydrophobicContact CD1-CG 3.6Å; F131-L138 HydrophobicContact CE1-CD1 4.46Å; F131-L138 HydrophobicContact CE1-CD2 3.71Å; F131-L138 HydrophobicContact CE1-CG 4.01Å; F131-L138 HydrophobicContact CG-CD1 4.16Å; L138-L155 HydrophobicContact CD2-CD1 3.94Å; L138-A174 HydrophobicContact CD2-CB 3.94Å; L138-N177 VanDerWaalsContact O-CA 3.25Å; L138-N177 WeakPolarHBondContact O-CA 3.16Å; L138-N177 PolarHBondContact O-N 2.85Å; L138-M178 HydrophobicContact CB-CG 3.79Å; L138-M178 HydrophobicContact CD2-CG 4.14Å; L138-M178 HydrophobicContact CD2-SD 3.98Å; L138-M178 PolarHBondContact N-O 2.82Å; L138-L180 HydrophobicContact CB-CD2 4.32Å; L138-F185 HydrophobicContact CD1-CE2 3.6Å; L138-F185 HydrophobicContact CD1-CZ 3.83Å; L138-I187 HydrophobicContact CD1-CD1 3.57Å; L138-I187 HydrophobicContact CD2-CD1 4.04Å; L138-I187 HydrophobicContact CG-CD1 4.44Å
139	I	95	Very high	85.7	Confident	55 Å²	55	61.7 Å²	61.7	28%	0.282	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	112.5	-179.7	-58.8	169.8	0	0	0	108.2	F131 T132 R134 M141	F131-I139 WeakPolarHBondContact CA-O 3.47Å; T132-I139 HydrophobicContact CG2-CB 3.74Å; T132-I139 HydrophobicContact CG2-CD1 4.33Å; T132-I139 HydrophobicContact CG2-CG2 4.04Å; T132-I139 PolarHBondContact N-O 3.45Å; T132-I139 PolarHBondContact O-N 2.9Å; R134-I139 HydrophobicContact CB-CD1 4.15Å; I139-M141 HydrophobicContact CG2-SD 4.3Å
140	L	92.1	Very high	85	Confident	31 Å²	31	65.6 Å²	65.6	16%	0.162	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	125.4	168.8	-179.2	69.2	0	0	0	110	W130 F131 Q142 V145 I151 H176	W130-L140 WeakPolarHBondContact O-CD1 3.3Å; F131-L140 HydrophobicContact CD1-CB 4.16Å; F131-L140 HydrophobicContact CD1-CD1 4.11Å; F131-L140 HydrophobicContact CD2-CD1 4.26Å; F131-L140 HydrophobicContact CE1-CB 3.81Å; F131-L140 HydrophobicContact CE1-CD1 3.6Å; F131-L140 HydrophobicContact CE1-CG 4.29Å; F131-L140 HydrophobicContact CE2-CD1 3.72Å; F131-L140 HydrophobicContact CG-CD1 4.45Å; F131-L140 HydrophobicContact CZ-CB 4.45Å; F131-L140 HydrophobicContact CZ-CD1 3.39Å; F131-L140 HydrophobicContact CZ-CG 4.46Å; L140-Q142 VanDerWaalsContact CD2-OE1 3.27Å; L140-Q142 PolarHBondContact O-N 3.36Å; L140-V145 HydrophobicContact CD1-CG2 3.87Å; L140-V145 HydrophobicContact CG-CG2 4.4Å; L140-I151 HydrophobicContact CD1-CD1 3.92Å; L140-H176 HydrophobicContact CB-CB 3.85Å; L140-H176 PolarHBondContact N-ND1 3.19Å; L140-H176 VanDerWaalsContact N-ND1 3.13Å
141	M	90.6	Very high	84.8	Confident	78 Å²	78	67 Å²	67	38%	0.384	35%	0.346	S	S	.	.			trans	-87.5	85.2	175.7	-59.2	-60.5	-71.7	0	0	108.8	W130 T132 I139 E143 A144	W130-M141 WeakPolarHBondContact O-CB 3.48Å; W130-M141 PolarHBondContact O-N 3.47Å; T132-M141 HydrophobicContact CG2-CG 4.32Å; T132-M141 HydrophobicContact CG2-SD 3.68Å; I139-M141 HydrophobicContact CG2-SD 4.3Å; M141-E143 PolarHBondContact O-N 3.24Å; M141-E143 VanDerWaalsContact O-N 3.08Å; M141-A144 HydrophobicContact CB-CB 4.01Å; M141-A144 WeakPolarHBondContact O-CB 3.14Å; M141-A144 PolarHBondContact O-N 3.25Å
142	Q	80.9	Confident	84.7	Confident	135 Å²	135	74.6 Å²	74.6	63%	0.631	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-55.5	-33.4	-171	-163.1	67.1	30.5	0	0	113.5	L140 A144 V145	L140-Q142 VanDerWaalsContact CD2-OE1 3.27Å; L140-Q142 PolarHBondContact O-N 3.36Å; Q142-A144 VanDerWaalsContact C-N 3.26Å; Q142-A144 PolarHBondContact O-N 3.38Å; Q142-V145 PolarHBondContact O-N 2.67Å
143	E	83	Confident	84.8	Confident	193 Å²	193	73.2 Å²	73.2	90%	0.902	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-68.5	-23.1	178.9	-62.3	162.9	-161.9	0	0	113.2	M141	M141-E143 PolarHBondContact O-N 3.24Å; M141-E143 VanDerWaalsContact O-N 3.08Å
144	A	81.6	Confident	84.8	Confident	23 Å²	23	77.1 Å²	77.1	19%	0.19	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-88.8	-16.3	179.8	0	0	0	0	0	113	W130 M141 Q142	W130-A144 PolarHBondContact NE1-O 3.42Å; M141-A144 HydrophobicContact CB-CB 4.01Å; M141-A144 WeakPolarHBondContact O-CB 3.14Å; M141-A144 PolarHBondContact O-N 3.25Å; Q142-A144 VanDerWaalsContact C-N 3.26Å; Q142-A144 PolarHBondContact O-N 3.38Å
145	V	77.6	Confident	85	Confident	15 Å²	15	72 Å²	72	9%	0.091	37%	0.371	C	S	.	.	S	Bend	trans	-76.2	136.3	178.1	-176.6	0	0	0	0	109.1	L140 Q142 Q147 I151	L140-V145 HydrophobicContact CD1-CG2 3.87Å; L140-V145 HydrophobicContact CG-CG2 4.4Å; Q142-V145 PolarHBondContact O-N 2.67Å; V145-Q147 PolarHBondContact O-N 3.39Å; V145-I151 HydrophobicContact CG1-CD1 3.94Å; V145-I151 HydrophobicContact CG1-CG1 4.31Å; V145-I151 HydrophobicContact CG1-CG2 3.72Å; V145-I151 HydrophobicContact CG2-CD1 3.89Å
146	P	71.9	Confident	85.3	Confident	24 Å²	24	69.9 Å²	69.9	16%	0.156	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-52.6	128.7	175.8	-23.7	32.3	0	0	0	111.4	W130 N148 A149 K195	W130-P146 HydrophobicContact CZ2-CG 4.11Å; P146-N148 PolarHBondContact O-N 3.49Å; P146-A149 HydrophobicContact CB-CB 3.95Å; P146-A149 WeakPolarHBondContact O-CB 3.31Å; P146-A149 PolarHBondContact O-N 3.41Å; P146-K195 HydrophobicContact CG-CD 4.03Å
147	Q	65.6	Low	85.5	Confident	191 Å²	191	69.7 Å²	69.7	89%	0.893	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	127.3	-176.2	-72.1	-174.7	-2.8	0	0	111	V145 A149	V145-Q147 PolarHBondContact O-N 3.39Å; Q147-A149 PolarHBondContact O-N 3.42Å
148	N	56.8	Low	85.5	Confident	175 Å²	175	65.6 Å²	65.6	94%	0.936	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.3	8.3	-179.5	-63.7	-16.9	0	0	0	116.9	P146 S150	P146-N148 PolarHBondContact O-N 3.49Å; N148-S150 PolarHBondContact O-N 3.42Å
149	A	62.7	Low	85.5	Confident	20 Å²	20	67.3 Å²	67.3	17%	0.165	35%	0.349	C	S	.	.			trans	-81	119.4	172.8	0	0	0	0	0	110.3	P146 Q147 I151 A191	P146-A149 HydrophobicContact CB-CB 3.95Å; P146-A149 WeakPolarHBondContact O-CB 3.31Å; P146-A149 PolarHBondContact O-N 3.41Å; Q147-A149 PolarHBondContact O-N 3.42Å; A149-I151 PolarHBondContact O-N 3.11Å; A149-A191 HydrophobicContact CB-CB 4.28Å
150	S	78.7	Confident	85.5	Confident	92 Å²	92	66.7 Å²	66.7	64%	0.643	34%	0.344	S	S	*	.			trans	-63.6	121.6	158.9	54.3	0	0	0	0	108.3	N148 A192	N148-S150 PolarHBondContact O-N 3.42Å; S150-A192 PolarHBondContact O-N 2.73Å
151	I	88	Confident	85.7	Confident	41 Å²	41	69.3 Å²	69.3	21%	0.21	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	139.8	176.5	56.1	171.3	0	0	0	109.7	W130 L140 V145 A149 A191	W130-I151 HydrophobicContact CE3-CD1 4.41Å; W130-I151 HydrophobicContact CE3-CG2 4.43Å; W130-I151 HydrophobicContact CH2-CG2 4.42Å; W130-I151 HydrophobicContact CZ3-CB 4.49Å; W130-I151 HydrophobicContact CZ3-CG2 3.85Å; L140-I151 HydrophobicContact CD1-CD1 3.92Å; V145-I151 HydrophobicContact CG1-CD1 3.94Å; V145-I151 HydrophobicContact CG1-CG1 4.31Å; V145-I151 HydrophobicContact CG1-CG2 3.72Å; V145-I151 HydrophobicContact CG2-CD1 3.89Å; A149-I151 PolarHBondContact O-N 3.11Å; I151-A191 HydrophobicContact CG2-CB 3.91Å
152	Q	91.9	Very high	85.8	Confident	162 Å²	162	67.6 Å²	67.6	76%	0.757	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.8	122.6	169.2	-69.2	-177.1	-10.5	0	0	108.1	C189 A190	Q152-C189 CarbonylContact O-C 3.22Å; Q152-C189 WeakPolarHBondContact O-CA 3.47Å; Q152-A190 PolarHBondContact N-O 3.18Å; Q152-A190 PolarHBondContact O-N 2.73Å
153	C	95.4	Very high	86.4	Confident	11 Å²	11	61.2 Å²	61.2	7%	0.074	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	131.6	-173.1	-65.8	0	0	0	0	111.1	F131 A174 I187 Q188 C189	F131-C153 HydrophobicContact CE2-CB 4.25Å; F131-C153 VanDerWaalsContact CE2-SG 3.59Å; F131-C153 HydrophobicContact CZ-CB 4.26Å; C153-A174 HydrophobicContact CB-CB 3.72Å; C153-A174 PolarHBondContact O-N 3.01Å; C153-I187 HydrophobicContact CB-CG2 4.48Å; C153-Q188 CarbonylContact C-O 3.45Å; C153-Q188 WeakPolarHBondContact CA-O 3.48Å; C153-C189 HydrophobicContact CB-CB 4.06Å; C153-C189 WeakPolarHBondContact CB-SG 3.39Å; C153-C189 WeakPolarHBondContact SG-CB 3.4Å; C153-C189 CovalentContact SG-SG 2.04Å; C153-C189 PolarHBondContact SG-SG 3.27Å
154	E	97.2	Very high	87	Confident	95 Å²	95	55.7 Å²	55.7	44%	0.444	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	133.9	172	-64	-173.7	156.9	0	0	110	R171 I187 Q188	E154-R171 WeakPolarHBondContact OE2-CD 3.01Å; E154-R171 IonicContact OE2-CZ 3.88Å; E154-R171 IonicContact OE2-NH1 3.77Å; E154-R171 PolarHBondContact OE2-NH1 3.47Å; E154-I187 WeakPolarHBondContact O-CA 3.49Å; E154-Q188 PolarHBondContact N-O 2.95Å; E154-Q188 PolarHBondContact O-N 3.19Å
155	L	97.6	Very high	87.6	Confident	4 Å²	4	57.7 Å²	57.7	2%	0.021	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	130.3	172.4	-176.4	148.6	0	0	0	109.2	L138 P157 R171 S172 A174 M178 L180 F185 K186 I187	L138-L155 HydrophobicContact CD2-CD1 3.94Å; L155-P157 HydrophobicContact CD2-CG 3.8Å; L155-R171 WeakPolarHBondContact O-CA 3.28Å; L155-S172 PolarHBondContact N-O 2.97Å; L155-S172 PolarHBondContact O-N 3.41Å; L155-A174 HydrophobicContact CB-CB 3.93Å; L155-M178 HydrophobicContact CD1-SD 4.38Å; L155-L180 HydrophobicContact CD1-CD2 3.55Å; L155-L180 HydrophobicContact CD2-CD2 4.49Å; L155-F185 HydrophobicContact CD1-CB 4.34Å; L155-F185 HydrophobicContact CD1-CD2 3.52Å; L155-F185 HydrophobicContact CD1-CE2 3.91Å; L155-F185 HydrophobicContact CD1-CG 3.96Å; L155-F185 HydrophobicContact CD2-CB 3.98Å; L155-F185 HydrophobicContact CD2-CG 4.43Å; L155-F185 HydrophobicContact CG-CB 4.01Å; L155-F185 HydrophobicContact CG-CD2 3.91Å; L155-F185 HydrophobicContact CG-CG 4.16Å; L155-K186 WeakPolarHBondContact CA-O 3.3Å; L155-I187 HydrophobicContact CB-CG1 4.43Å; L155-I187 HydrophobicContact CD1-CD1 4.28Å; L155-I187 HydrophobicContact CD1-CG1 4.3Å; L155-I187 HydrophobicContact CG-CG1 4.37Å
156	Q	97.8	Very high	88.4	Confident	28 Å²	28	58.1 Å²	58.1	13%	0.131	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	107.9	174.9	-173.1	169.2	35.4	0	0	109.8	T168 R171 F185 K186	Q156-T168 HydrophobicContact CG-CG2 4.13Å; Q156-T168 PolarHBondContact NE2-OG1 3.06Å; Q156-R171 HydrophobicContact CB-CG 4.18Å; Q156-R171 HydrophobicContact CG-CG 4.27Å; Q156-R171 VanDerWaalsContact OE1-NH2 3.14Å; Q156-F185 VanDerWaalsContact O-CA 3.26Å; Q156-F185 WeakPolarHBondContact O-CA 3.46Å; Q156-F185 WeakPolarHBondContact O-CB 3.07Å; Q156-K186 HydrophobicContact CB-CB 4.46Å; Q156-K186 PolarHBondContact N-O 3.13Å; Q156-K186 PolarHBondContact O-N 3.07Å
157	P	98.1	Very high	89.6	Confident	2 Å²	2	62.6 Å²	62.6	1%	0.013	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	144.7	176.7	-17.8	31.2	0	0	0	111.9	L155 T168 L169 T182	L155-P157 HydrophobicContact CD2-CG 3.8Å; P157-T168 WeakPolarHBondContact O-CA 3.35Å; P157-L169 HydrophobicContact CB-CB 4.01Å; P157-L169 HydrophobicContact CB-CD1 3.99Å; P157-L169 HydrophobicContact CB-CG 4.14Å; P157-L169 HydrophobicContact CG-CB 4.07Å; P157-L169 HydrophobicContact CG-CD1 4.44Å; P157-L169 PolarHBondContact O-N 2.75Å; P157-T182 HydrophobicContact CB-CG2 4.01Å; P157-T182 WeakPolarHBondContact CB-OG1 3.36Å
158	I	97.7	Very high	91	Very high	2 Å²	2	56 Å²	56	1%	0.01	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	130.4	179	-55.9	157.1	0	0	0	108.5	V166 F184 K349	I158-V166 HydrophobicContact CG2-CB 4.1Å; I158-V166 HydrophobicContact CG2-CG1 4.4Å; I158-V166 HydrophobicContact CG2-CG2 4.46Å; I158-F184 HydrophobicContact CB-CB 4.04Å; I158-F184 HydrophobicContact CD1-CB 4.28Å; I158-F184 PolarHBondContact N-O 3.35Å; I158-K349 HydrophobicContact CD1-CB 3.92Å; I158-K349 HydrophobicContact CD1-CG 3.58Å; I158-K349 HydrophobicContact CG1-CG 4.07Å; I158-K349 HydrophobicContact CG2-CB 4.23Å
159	V	95.8	Very high	92.9	Very high	37 Å²	37	50.2 Å²	50.2	22%	0.224	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	154.2	-179.4	-63.7	0	0	0	0	111.9	K167 L169 T182	V159-K167 HydrophobicContact CG2-CB 3.8Å; V159-K167 HydrophobicContact CG2-CD 4.33Å; V159-K167 HydrophobicContact CG2-CG 4Å; V159-K167 WeakPolarHBondContact CG2-O 3.25Å; V159-K167 PolarHBondContact N-O 3.05Å; V159-K167 PolarHBondContact O-N 2.76Å; V159-L169 HydrophobicContact CG1-CD1 4.03Å; V159-L169 HydrophobicContact CG1-CD2 4.36Å; V159-L169 HydrophobicContact CG1-CG 4.1Å; V159-L169 HydrophobicContact CG2-CD2 4.09Å; V159-L169 HydrophobicContact CG2-CG 4.47Å; V159-T182 HydrophobicContact CG1-CG2 3.39Å
160	F	95.4	Very high	94.6	Very high	41 Å²	41	56.3 Å²	56.3	18%	0.18	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	134.1	171.8	-175.5	-95.1	0	0	0	110.3	D162 Q337 Y342 N345	F160-D162 VanDerWaalsContact CZ-CA 3.5Å; F160-Q337 HydrophobicContact CD1-CB 4.14Å; F160-Q337 HydrophobicContact CD2-CB 4.33Å; F160-Q337 HydrophobicContact CD2-CG 4.38Å; F160-Q337 HydrophobicContact CE1-CB 4.38Å; F160-Q337 HydrophobicContact CG-CB 4.11Å; F160-Q337 HydrophobicContact CG-CG 4.43Å; F160-Y342 HydrophobicContact CD2-CD1 4.08Å; F160-Y342 HydrophobicContact CD2-CE1 4.41Å; F160-Y342 HydrophobicContact CE2-CD1 4.13Å; F160-Y342 HydrophobicContact CE2-CE1 4.07Å; F160-N345 WeakPolarHBondContact CA-ND2 3.29Å; F160-N345 WeakPolarHBondContact CB-ND2 3.42Å; F160-N345 WeakPolarHBondContact CD2-OD1 3.42Å
161	N	95	Very high	95.4	Very high	86 Å²	86	56.9 Å²	56.9	46%	0.46	28%	0.283	S	S	.	.	S	Bend	trans	-115.1	-56.7	164.9	-174.5	62.4	0	0	0	109.3	T165 K167	N161-T165 PolarHBondContact ND2-OG1 3.38Å; N161-K167 HydrophobicContact CB-CB 4.15Å
162	D	93.5	Very high	95.8	Very high	43 Å²	43	56.8 Å²	56.8	23%	0.23	29%	0.286	C	S	.	.			trans	-154.3	-176.7	169.6	57.5	57.3	0	0	0	109.4	F160 F164 T165	F160-D162 VanDerWaalsContact CZ-CA 3.5Å; D162-F164 PolarHBondContact O-N 3.3Å; D162-F164 WeakPolarHBondContact OD1-CA 3.38Å; D162-F164 PolarHBondContact OD1-N 3.26Å; D162-T165 PolarHBondContact N-O 3.35Å; D162-T165 PolarHBondContact OD1-N 3.19Å; D162-T165 PolarHBondContact OD1-OG1 2.83Å; D162-T165 PolarHBondContact OD2-OG1 3.49Å
163	D	93.8	Very high	96	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.278	C	S	.	.	S	Bend	trans	-70	-5.3	-179.5	-103.6	19.9	0	0	0	115.8	T328 G333 F334 Y342 R344	D163-T328 HydrophobicContact CB-CG2 3.93Å; D163-T328 WeakPolarHBondContact OD2-CG2 3.17Å; D163-G333 WeakPolarHBondContact OD2-CA 3.31Å; D163-F334 WeakPolarHBondContact CB-O 3.41Å; D163-F334 PolarHBondContact N-O 2.78Å; D163-F334 VanDerWaalsContact OD2-CD2 3.28Å; D163-F334 WeakPolarHBondContact OD2-CD2 3.36Å; D163-F334 PolarHBondContact OD2-N 3.4Å; D163-Y342 WeakPolarHBondContact OD1-CE1 3.35Å; D163-Y342 PolarHBondContact OD1-OH 2.95Å; D163-R344 VanDerWaalsContact O-CZ 3.24Å; D163-R344 PolarHBondContact O-NE 2.76Å; D163-R344 PolarHBondContact O-NH2 3.24Å
164	F	94.1	Very high	95.9	Very high	78 Å²	78	55.2 Å²	55.2	34%	0.342	28%	0.279	S	S	.	.	S	Bend	trans	-120.6	-17.3	-176.8	-56.3	-77.7	0	0	0	113.1	D162 K332	D162-F164 PolarHBondContact O-N 3.3Å; D162-F164 WeakPolarHBondContact OD1-CA 3.38Å; D162-F164 PolarHBondContact OD1-N 3.26Å; F164-K332 VanDerWaalsContact CE2-O 3.22Å; F164-K332 WeakPolarHBondContact CE2-O 3.4Å
165	T	94.7	Very high	95.7	Very high	64 Å²	64	55.9 Å²	55.9	39%	0.393	28%	0.281	S	S	.	.			trans	-135.5	151.9	-177.4	68.1	0	0	0	0	111.3	N161 D162	N161-T165 PolarHBondContact ND2-OG1 3.38Å; D162-T165 PolarHBondContact N-O 3.35Å; D162-T165 PolarHBondContact OD1-N 3.19Å; D162-T165 PolarHBondContact OD1-OG1 2.83Å; D162-T165 PolarHBondContact OD2-OG1 3.49Å
166	V	95.5	Very high	95.5	Very high	25 Å²	25	61 Å²	61	15%	0.152	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	149.9	175.5	-65	0	0	0	0	109.8	I158 N345 L348 K349	I158-V166 HydrophobicContact CG2-CB 4.1Å; I158-V166 HydrophobicContact CG2-CG1 4.4Å; I158-V166 HydrophobicContact CG2-CG2 4.46Å; V166-N345 HydrophobicContact CG1-CB 4.01Å; V166-L348 HydrophobicContact CG1-CB 3.78Å; V166-L348 HydrophobicContact CG1-CD1 4.14Å; V166-K349 HydrophobicContact CG2-CB 4.12Å; V166-K349 HydrophobicContact CG2-CD 4Å
167	K	95.9	Very high	95.3	Very high	118 Å²	118	64 Å²	64	51%	0.513	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	144.6	171.4	173.9	178.9	-178.2	-177	0	109.2	V159 N161	V159-K167 HydrophobicContact CG2-CB 3.8Å; V159-K167 HydrophobicContact CG2-CD 4.33Å; V159-K167 HydrophobicContact CG2-CG 4Å; V159-K167 WeakPolarHBondContact CG2-O 3.25Å; V159-K167 PolarHBondContact N-O 3.05Å; V159-K167 PolarHBondContact O-N 2.76Å; N161-K167 HydrophobicContact CB-CB 4.15Å
168	T	96.6	Very high	95.1	Very high	52 Å²	52	66 Å²	66	32%	0.319	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	149.1	172.2	53.4	0	0	0	0	110.4	Q156 P157	Q156-T168 HydrophobicContact CG-CG2 4.13Å; Q156-T168 PolarHBondContact NE2-OG1 3.06Å; P157-T168 WeakPolarHBondContact O-CA 3.35Å
169	L	96.6	Very high	95	Very high	53 Å²	53	70.2 Å²	70.2	28%	0.277	36%	0.361	S	S	.	.			trans	-96.2	174.6	172.3	-54.5	-175.7	0	0	0	110.7	P157 V159 T182	P157-L169 HydrophobicContact CB-CB 4.01Å; P157-L169 HydrophobicContact CB-CD1 3.99Å; P157-L169 HydrophobicContact CB-CG 4.14Å; P157-L169 HydrophobicContact CG-CB 4.07Å; P157-L169 HydrophobicContact CG-CD1 4.44Å; P157-L169 PolarHBondContact O-N 2.75Å; V159-L169 HydrophobicContact CG1-CD1 4.03Å; V159-L169 HydrophobicContact CG1-CD2 4.36Å; V159-L169 HydrophobicContact CG1-CG 4.1Å; V159-L169 HydrophobicContact CG2-CD2 4.09Å; V159-L169 HydrophobicContact CG2-CG 4.47Å; L169-T182 HydrophobicContact CD1-CG2 4.23Å
170	D	96.6	Very high	95	Very high	148 Å²	148	69 Å²	69	79%	0.791	35%	0.353	S	S	*	.			trans	-58.4	142.4	177.5	-66.8	-29.4	0	0	0	111.4
171	R	96.9	Very high	94.9	Very high	105 Å²	105	73.4 Å²	73.4	40%	0.396	37%	0.374	S	S	.	.			trans	-71.7	143.3	179	-66.1	175	171.9	-115.1	-9.5	110	E154 L155 Q156	E154-R171 WeakPolarHBondContact OE2-CD 3.01Å; E154-R171 IonicContact OE2-CZ 3.88Å; E154-R171 IonicContact OE2-NH1 3.77Å; E154-R171 PolarHBondContact OE2-NH1 3.47Å; L155-R171 WeakPolarHBondContact O-CA 3.28Å; Q156-R171 HydrophobicContact CB-CG 4.18Å; Q156-R171 HydrophobicContact CG-CG 4.27Å; Q156-R171 VanDerWaalsContact OE1-NH2 3.14Å
172	S	95.8	Very high	94.9	Very high	39 Å²	39	70 Å²	70	27%	0.273	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	156.5	174.8	62.3	0	0	0	0	110.8	L155 A174	L155-S172 PolarHBondContact N-O 2.97Å; L155-S172 PolarHBondContact O-N 3.41Å; S172-A174 PolarHBondContact O-N 3.05Å
173	E	96	Very high	95.1	Very high	126 Å²	126	68.2 Å²	68.2	59%	0.589	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.3	126.4	173.5	-169.6	-173.1	169.3	0	0	111	K175	E173-K175 HydrophobicContact CG-CG 4.36Å; E173-K175 PolarHBondContact O-N 2.7Å; E173-K175 VanDerWaalsContact OE1-CE 3.22Å; E173-K175 WeakPolarHBondContact OE1-CE 3.38Å; E173-K175 IonicContact OE1-NZ 2.77Å; E173-K175 WeakPolarHBondContact OE2-CE 3.28Å; E173-K175 IonicContact OE2-NZ 2.93Å; E173-K175 PolarHBondContact OE2-NZ 3.04Å
174	A	94.3	Very high	95.3	Very high	13 Å²	13	68.6 Å²	68.6	11%	0.107	35%	0.348	C	S	.	.			trans	-81.6	114.2	179.5	0	0	0	0	0	110.5	F131 L138 C153 L155 S172	F131-A174 HydrophobicContact CZ-CB 4.27Å; L138-A174 HydrophobicContact CD2-CB 3.94Å; C153-A174 HydrophobicContact CB-CB 3.72Å; C153-A174 PolarHBondContact O-N 3.01Å; L155-A174 HydrophobicContact CB-CB 3.93Å; S172-A174 PolarHBondContact O-N 3.05Å
175	K	92.1	Very high	95.5	Very high	109 Å²	109	64.9 Å²	64.9	47%	0.474	33%	0.332	S	S	.	.			trans	-118.1	142.7	-177.5	-65.1	-178.7	-177.4	175.5	0	112	E173 N177 M178	E173-K175 HydrophobicContact CG-CG 4.36Å; E173-K175 PolarHBondContact O-N 2.7Å; E173-K175 VanDerWaalsContact OE1-CE 3.22Å; E173-K175 WeakPolarHBondContact OE1-CE 3.38Å; E173-K175 IonicContact OE1-NZ 2.77Å; E173-K175 WeakPolarHBondContact OE2-CE 3.28Å; E173-K175 IonicContact OE2-NZ 2.93Å; E173-K175 PolarHBondContact OE2-NZ 3.04Å; K175-N177 PolarHBondContact O-N 2.68Å; K175-M178 HydrophobicContact CB-CB 4.34Å; K175-M178 PolarHBondContact N-SD 3.23Å; K175-M178 VanDerWaalsContact N-SD 3.41Å; K175-M178 WeakPolarHBondContact O-CB 3.33Å; K175-M178 VanDerWaalsContact O-CG 3.24Å; K175-M178 WeakPolarHBondContact O-CG 3.33Å; K175-M178 PolarHBondContact O-N 3.32Å
176	H	92.9	Very high	95.6	Very high	111 Å²	111	63 Å²	63	51%	0.514	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	136.5	171.7	-179.1	86.8	0	0	0	110.7	L140 M178	L140-H176 HydrophobicContact CB-CB 3.85Å; L140-H176 PolarHBondContact N-ND1 3.19Å; L140-H176 VanDerWaalsContact N-ND1 3.13Å; H176-M178 PolarHBondContact O-N 3.02Å
177	N	93.4	Very high	95.7	Very high	92 Å²	92	61.8 Å²	61.8	49%	0.492	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.7	17.4	179.3	-165.8	40.1	0	0	0	114.8	K137 L138 K175	K137-N177 WeakPolarHBondContact CD-OD1 3.35Å; K137-N177 PolarHBondContact NZ-OD1 3.1Å; L138-N177 VanDerWaalsContact O-CA 3.25Å; L138-N177 WeakPolarHBondContact O-CA 3.16Å; L138-N177 PolarHBondContact O-N 2.85Å; K175-N177 PolarHBondContact O-N 2.68Å
178	M	95	Very high	95.7	Very high	44 Å²	44	59 Å²	59	22%	0.217	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-69.2	147	171.1	76.1	-179	-72.3	0	0	111	K137 L138 L155 K175 H176	K137-M178 WeakPolarHBondContact CA-O 3.46Å; L138-M178 HydrophobicContact CB-CG 3.79Å; L138-M178 HydrophobicContact CD2-CG 4.14Å; L138-M178 HydrophobicContact CD2-SD 3.98Å; L138-M178 PolarHBondContact N-O 2.82Å; L155-M178 HydrophobicContact CD1-SD 4.38Å; K175-M178 HydrophobicContact CB-CB 4.34Å; K175-M178 PolarHBondContact N-SD 3.23Å; K175-M178 VanDerWaalsContact N-SD 3.41Å; K175-M178 WeakPolarHBondContact O-CB 3.33Å; K175-M178 VanDerWaalsContact O-CG 3.24Å; K175-M178 WeakPolarHBondContact O-CG 3.33Å; K175-M178 PolarHBondContact O-N 3.32Å; H176-M178 PolarHBondContact O-N 3.02Å
179	S	95.5	Very high	95.6	Very high	90 Å²	90	56.9 Å²	56.9	63%	0.629	29%	0.287	S	S	*	.	B	Isolated β-bridge	trans	-80.4	137.4	172.1	-58.9	0	0	0	0	109.9
180	L	96	Very high	95.4	Very high	12 Å²	12	56.6 Å²	56.6	6%	0.063	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-94.6	144.4	-176.7	-65.5	161.7	0	0	0	110.5	G136 L138 L155 F185 T203 V205	G136-L180 WeakPolarHBondContact O-CB 3.1Å; G136-L180 PolarHBondContact O-N 3.12Å; L138-L180 HydrophobicContact CB-CD2 4.32Å; L155-L180 HydrophobicContact CD1-CD2 3.55Å; L155-L180 HydrophobicContact CD2-CD2 4.49Å; L180-F185 HydrophobicContact CD1-CD1 4.14Å; L180-F185 HydrophobicContact CD1-CE1 3.32Å; L180-F185 HydrophobicContact CD1-CZ 3.64Å; L180-F185 HydrophobicContact CD2-CD1 3.94Å; L180-F185 HydrophobicContact CD2-CE1 3.81Å; L180-F185 HydrophobicContact CD2-CE2 4.43Å; L180-F185 HydrophobicContact CD2-CG 4.33Å; L180-F185 HydrophobicContact CD2-CZ 4.01Å; L180-F185 HydrophobicContact CG-CE1 4.15Å; L180-F185 HydrophobicContact CG-CZ 4.49Å; L180-T203 HydrophobicContact CD1-CG2 3.54Å; L180-V205 HydrophobicContact CB-CG2 4.02Å; L180-V205 WeakPolarHBondContact O-CG1 3.02Å
181	Q	92.7	Very high	95	Very high	133 Å²	133	50 Å²	50	62%	0.621	26%	0.258	S	S	*	.	S	Bend	trans	-82.3	-28.4	179.9	-61.9	178.9	49.1	0	0	112
182	T	95.8	Very high	94.4	Very high	14 Å²	14	48.8 Å²	48.8	9%	0.086	27%	0.271	C	S	.	.	S	Bend	trans	-138.1	159.1	-170.8	62.2	0	0	0	0	109.9	P157 V159 L169 F184 V205	P157-T182 HydrophobicContact CB-CG2 4.01Å; P157-T182 WeakPolarHBondContact CB-OG1 3.36Å; V159-T182 HydrophobicContact CG1-CG2 3.39Å; L169-T182 HydrophobicContact CD1-CG2 4.23Å; T182-F184 PolarHBondContact O-N 2.81Å; T182-F184 PolarHBondContact OG1-O 3.13Å; T182-V205 VanDerWaalsContact O-CG2 3.3Å; T182-V205 WeakPolarHBondContact O-CG2 3.2Å
183	D	97.4	Very high	93.9	Very high	7 Å²	7	51 Å²	51	4%	0.037	28%	0.28	C	S	.	.	S	Bend	trans	-65.8	-26.3	178.8	-72.3	21.8	0	0	0	112.5	A202 T203 V205 K207 H341 Y374	D183-A202 CarbonylContact O-C 3.53Å; D183-A202 WeakPolarHBondContact O-CA 3.16Å; D183-T203 CarbonylContact C-O 3.22Å; D183-T203 WeakPolarHBondContact CA-O 3.11Å; D183-T203 WeakPolarHBondContact CB-O 3.39Å; D183-T203 PolarHBondContact O-N 3.34Å; D183-T203 VanDerWaalsContact O-O 3.1Å; D183-V205 PolarHBondContact OD1-N 3.08Å; D183-V205 VanDerWaalsContact OD1-N 3.09Å; D183-K207 IonicContact OD1-NZ 3.39Å; D183-H341 IonicContact OD1-ND1 3.19Å; D183-H341 IonicContact OD2-CE1 2.75Å; D183-H341 IonicContact OD2-CG 3.43Å; D183-H341 IonicContact OD2-ND1 3Å; D183-H341 PolarHBondContact OD2-ND1 3.36Å; D183-Y374 HydrophobicContact CB-CE2 4.29Å; D183-Y374 PolarHBondContact OD2-OH 3.28Å
184	F	97.9	Very high	93.4	Very high	7 Å²	7	47.6 Å²	47.6	3%	0.031	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	142.4	-170.9	-43.2	-55.1	0	0	0	111.3	I158 T182 H201 A202 Y342 L343 N345 F346 Y374	I158-F184 HydrophobicContact CB-CB 4.04Å; I158-F184 HydrophobicContact CD1-CB 4.28Å; I158-F184 PolarHBondContact N-O 3.35Å; T182-F184 PolarHBondContact O-N 2.81Å; T182-F184 PolarHBondContact OG1-O 3.13Å; F184-H201 WeakPolarHBondContact CA-O 3.16Å; F184-A202 HydrophobicContact CD1-CB 3.79Å; F184-A202 HydrophobicContact CE1-CB 4.03Å; F184-Y342 WeakPolarHBondContact CE2-O 3.3Å; F184-Y342 VanDerWaalsContact CZ-O 3.28Å; F184-Y342 WeakPolarHBondContact CZ-O 3.43Å; F184-L343 HydrophobicContact CD1-CD1 4.31Å; F184-L343 HydrophobicContact CE1-CD1 3.46Å; F184-L343 VanDerWaalsContact CE1-CD1 3.46Å; F184-L343 HydrophobicContact CZ-CD1 3.98Å; F184-N345 HydrophobicContact CD2-CB 3.95Å; F184-N345 HydrophobicContact CE2-CB 4.03Å; F184-F346 HydrophobicContact CB-CB 4.39Å; F184-F346 HydrophobicContact CB-CD2 4.34Å; F184-F346 HydrophobicContact CD1-CB 3.63Å; F184-F346 HydrophobicContact CD1-CD2 4.13Å; F184-F346 HydrophobicContact CD1-CG 4.18Å; F184-F346 HydrophobicContact CD2-CB 4.34Å; F184-F346 HydrophobicContact CE1-CB 3.97Å; F184-F346 HydrophobicContact CG-CB 3.84Å; F184-F346 HydrophobicContact CG-CD2 4.47Å; F184-F346 HydrophobicContact CZ-CB 4.46Å; F184-Y374 HydrophobicContact CE1-CD2 4.32Å; F184-Y374 AromaticContact CE1-CE2 3.58Å; F184-Y374 HydrophobicContact CE1-CE2 3.58Å; F184-Y374 AromaticContact CE1-CZ 3.7Å; F184-Y374 HydrophobicContact CZ-CE2 4.1Å; F184-Y374 AromaticContact CZ-CZ 3.75Å; F184-Y374 WeakPolarHBondContact CZ-OH 3.28Å
185	F	97.5	Very high	93	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	152.7	179	51.4	-84.1	0	0	0	111.6	A133 L138 L155 Q156 L180 I187 H201 T203	A133-F185 HydrophobicContact CB-CE1 4.01Å; A133-F185 HydrophobicContact CB-CZ 3.55Å; L138-F185 HydrophobicContact CD1-CE2 3.6Å; L138-F185 HydrophobicContact CD1-CZ 3.83Å; L155-F185 HydrophobicContact CD1-CB 4.34Å; L155-F185 HydrophobicContact CD1-CD2 3.52Å; L155-F185 HydrophobicContact CD1-CE2 3.91Å; L155-F185 HydrophobicContact CD1-CG 3.96Å; L155-F185 HydrophobicContact CD2-CB 3.98Å; L155-F185 HydrophobicContact CD2-CG 4.43Å; L155-F185 HydrophobicContact CG-CB 4.01Å; L155-F185 HydrophobicContact CG-CD2 3.91Å; L155-F185 HydrophobicContact CG-CG 4.16Å; Q156-F185 VanDerWaalsContact O-CA 3.26Å; Q156-F185 WeakPolarHBondContact O-CA 3.46Å; Q156-F185 WeakPolarHBondContact O-CB 3.07Å; L180-F185 HydrophobicContact CD1-CD1 4.14Å; L180-F185 HydrophobicContact CD1-CE1 3.32Å; L180-F185 HydrophobicContact CD1-CZ 3.64Å; L180-F185 HydrophobicContact CD2-CD1 3.94Å; L180-F185 HydrophobicContact CD2-CE1 3.81Å; L180-F185 HydrophobicContact CD2-CE2 4.43Å; L180-F185 HydrophobicContact CD2-CG 4.33Å; L180-F185 HydrophobicContact CD2-CZ 4.01Å; L180-F185 HydrophobicContact CG-CE1 4.15Å; L180-F185 HydrophobicContact CG-CZ 4.49Å; F185-I187 HydrophobicContact CD2-CD1 4.01Å; F185-I187 HydrophobicContact CD2-CG1 3.83Å; F185-I187 HydrophobicContact CE2-CD1 3.7Å; F185-I187 HydrophobicContact CE2-CG1 4.05Å; F185-H201 HydrophobicContact CD2-CB 4.15Å; F185-H201 HydrophobicContact CE1-CB 4.11Å; F185-H201 HydrophobicContact CE2-CB 3.51Å; F185-H201 AromaticContact CE2-CD2 3.82Å; F185-H201 AromaticContact CE2-CG 3.92Å; F185-H201 HydrophobicContact CZ-CB 3.52Å; F185-H201 PolarHBondContact N-O 2.86Å; F185-H201 PolarHBondContact O-N 2.57Å; F185-T203 HydrophobicContact CE1-CG2 4.11Å
186	K	97.4	Very high	93	Very high	25 Å²	25	52.5 Å²	52.5	11%	0.109	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	135.1	170.6	-178.7	-178.8	-171.2	162.5	0	108.9	L155 Q156 Q188 Y200 D353	L155-K186 WeakPolarHBondContact CA-O 3.3Å; Q156-K186 HydrophobicContact CB-CB 4.46Å; Q156-K186 PolarHBondContact N-O 3.13Å; Q156-K186 PolarHBondContact O-N 3.07Å; K186-Q188 HydrophobicContact CD-CG 4.4Å; K186-Q188 HydrophobicContact CG-CG 4.29Å; K186-Y200 HydrophobicContact CB-CD1 3.97Å; K186-Y200 HydrophobicContact CB-CE1 4.01Å; K186-Y200 HydrophobicContact CD-CD1 4.46Å; K186-Y200 HydrophobicContact CD-CE1 3.67Å; K186-Y200 WeakPolarHBondContact CE-OH 3.28Å; K186-Y200 HydrophobicContact CG-CD1 4.03Å; K186-Y200 HydrophobicContact CG-CE1 3.7Å; K186-Y200 PolarHBondContact NZ-OH 3.5Å; K186-D353 IonicContact NZ-OD2 3.33Å; K186-D353 PolarHBondContact NZ-OD2 2.71Å
187	I	96.9	Very high	92.9	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	134.3	170.9	-65.1	-177.1	0	0	0	109	F131 L138 C153 E154 L155 F185 Y197 T198 N199	F131-I187 HydrophobicContact CB-CD1 3.82Å; F131-I187 HydrophobicContact CD1-CD1 4.1Å; F131-I187 HydrophobicContact CD2-CD1 3.94Å; F131-I187 HydrophobicContact CD2-CG2 3.94Å; F131-I187 HydrophobicContact CE2-CG2 4.06Å; F131-I187 HydrophobicContact CG-CD1 3.68Å; L138-I187 HydrophobicContact CD1-CD1 3.57Å; L138-I187 HydrophobicContact CD2-CD1 4.04Å; L138-I187 HydrophobicContact CG-CD1 4.44Å; C153-I187 HydrophobicContact CB-CG2 4.48Å; E154-I187 WeakPolarHBondContact O-CA 3.49Å; L155-I187 HydrophobicContact CB-CG1 4.43Å; L155-I187 HydrophobicContact CD1-CD1 4.28Å; L155-I187 HydrophobicContact CD1-CG1 4.3Å; L155-I187 HydrophobicContact CG-CG1 4.37Å; F185-I187 HydrophobicContact CD2-CD1 4.01Å; F185-I187 HydrophobicContact CD2-CG1 3.83Å; F185-I187 HydrophobicContact CE2-CD1 3.7Å; F185-I187 HydrophobicContact CE2-CG1 4.05Å; I187-Y197 HydrophobicContact CB-CE1 4.39Å; I187-Y197 HydrophobicContact CG2-CD1 4.22Å; I187-Y197 HydrophobicContact CG2-CE1 4.1Å; I187-T198 VanDerWaalsContact O-CA 3.31Å; I187-T198 WeakPolarHBondContact O-CA 3.37Å; I187-N199 PolarHBondContact N-O 2.72Å; I187-N199 PolarHBondContact O-N 2.67Å
188	Q	96.5	Very high	93	Very high	59 Å²	59	47 Å²	47	28%	0.276	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	126.5	170.7	-57.4	-173.2	-87.7	0	0	108.6	C153 E154 K186 Y197 T198	C153-Q188 CarbonylContact C-O 3.45Å; C153-Q188 WeakPolarHBondContact CA-O 3.48Å; E154-Q188 PolarHBondContact N-O 2.95Å; E154-Q188 PolarHBondContact O-N 3.19Å; K186-Q188 HydrophobicContact CD-CG 4.4Å; K186-Q188 HydrophobicContact CG-CG 4.29Å; Q188-Y197 CarbonylContact C-O 3.56Å; Q188-Y197 VanDerWaalsContact CA-O 3.31Å; Q188-Y197 WeakPolarHBondContact CA-O 3.47Å; Q188-T198 HydrophobicContact CG-CG2 4.11Å
189	C	94.3	Very high	93	Very high	7 Å²	7	45.1 Å²	45.1	5%	0.047	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	148	176.8	-53.4	0	0	0	0	111.7	W130 Q152 C153 N196 Y197	W130-C189 HydrophobicContact CE3-CB 3.8Å; W130-C189 HydrophobicContact CZ3-CB 3.55Å; Q152-C189 CarbonylContact O-C 3.22Å; Q152-C189 WeakPolarHBondContact O-CA 3.47Å; C153-C189 HydrophobicContact CB-CB 4.06Å; C153-C189 WeakPolarHBondContact CB-SG 3.39Å; C153-C189 WeakPolarHBondContact SG-CB 3.4Å; C153-C189 CovalentContact SG-SG 2.04Å; C153-C189 PolarHBondContact SG-SG 3.27Å; C189-N196 WeakPolarHBondContact O-CA 3.34Å; C189-Y197 HydrophobicContact CB-CD1 4.46Å; C189-Y197 PolarHBondContact N-O 2.61Å; C189-Y197 PolarHBondContact O-N 2.78Å
190	A	92	Very high	93	Very high	47 Å²	47	41.6 Å²	41.6	39%	0.388	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	128.8	165.4	0	0	0	0	0	109.1	Q152	Q152-A190 PolarHBondContact N-O 3.18Å; Q152-A190 PolarHBondContact O-N 2.73Å
191	A	88.7	Confident	93	Very high	9 Å²	9	41.5 Å²	41.5	7%	0.074	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	150.9	172	0	0	0	0	0	110.5	W130 A149 I151 D193 G194 K195	W130-A191 HydrophobicContact CH2-CB 3.95Å; A149-A191 HydrophobicContact CB-CB 4.28Å; I151-A191 HydrophobicContact CG2-CB 3.91Å; A191-D193 WeakPolarHBondContact CB-OD1 3.45Å; A191-D193 PolarHBondContact O-N 3.41Å; A191-D193 VanDerWaalsContact O-N 3.15Å; A191-G194 PolarHBondContact O-N 2.61Å; A191-K195 HydrophobicContact CB-CB 4.22Å; A191-K195 WeakPolarHBondContact CB-O 3.4Å; A191-K195 PolarHBondContact N-O 3.26Å
192	A	85.3	Confident	93.2	Very high	80 Å²	80	36 Å²	36	66%	0.661	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-22.3	179.3	0	0	0	0	0	114.1	S150 G194	S150-A192 PolarHBondContact O-N 2.73Å; A192-G194 PolarHBondContact O-N 2.57Å
193	D	83.9	Confident	93.3	Very high	86 Å²	86	35.3 Å²	35.3	46%	0.46	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	0.7	174.9	69.9	-10	0	0	0	113.4	A191 K195	A191-D193 WeakPolarHBondContact CB-OD1 3.45Å; A191-D193 PolarHBondContact O-N 3.41Å; A191-D193 VanDerWaalsContact O-N 3.15Å; D193-K195 WeakPolarHBondContact OD1-CB 3.5Å; D193-K195 WeakPolarHBondContact OD1-CG 3.34Å; D193-K195 PolarHBondContact OD1-N 3.28Å; D193-K195 WeakPolarHBondContact OD2-CD 3.39Å
194	G	85.3	Confident	93.3	Very high	55 Å²	55	35 Å²	35	57%	0.567	21%	0.213	S	C	*	.	S	Bend	trans	89.2	-0.4	-179.4	0	0	0	0	0	114.6	A191 A192	A191-G194 PolarHBondContact O-N 2.61Å; A192-G194 PolarHBondContact O-N 2.57Å
195	K	87.3	Confident	93.2	Very high	99 Å²	99	35.6 Å²	35.6	43%	0.43	22%	0.218	S	C	.	.			trans	-71.8	137.1	173.6	-68.1	-175.3	-178.6	-168	0	110.9	W130 P146 A191 D193	W130-K195 HydrophobicContact CH2-CB 4.45Å; W130-K195 HydrophobicContact CZ2-CB 4.5Å; P146-K195 HydrophobicContact CG-CD 4.03Å; A191-K195 HydrophobicContact CB-CB 4.22Å; A191-K195 WeakPolarHBondContact CB-O 3.4Å; A191-K195 PolarHBondContact N-O 3.26Å; D193-K195 WeakPolarHBondContact OD1-CB 3.5Å; D193-K195 WeakPolarHBondContact OD1-CG 3.34Å; D193-K195 PolarHBondContact OD1-N 3.28Å; D193-K195 WeakPolarHBondContact OD2-CD 3.39Å
196	N	90.5	Very high	92.9	Very high	126 Å²	126	38.8 Å²	38.8	67%	0.674	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-113.5	141.5	176	-65.4	-27.9	0	0	0	110	C189	C189-N196 WeakPolarHBondContact O-CA 3.34Å
197	Y	91.8	Very high	92.5	Very high	18 Å²	18	40.4 Å²	40.4	7%	0.071	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	131.4	173.5	172.1	-100.7	0	0	0	108.6	W130 F131 I187 Q188 C189 N199 H201	W130-Y197 HydrophobicContact CB-CD1 4.13Å; W130-Y197 HydrophobicContact CB-CD2 4.19Å; W130-Y197 HydrophobicContact CB-CE1 4.03Å; W130-Y197 HydrophobicContact CB-CE2 4.11Å; W130-Y197 HydrophobicContact CB-CG 4.19Å; W130-Y197 HydrophobicContact CD2-CD1 4.29Å; W130-Y197 AromaticContact CD2-CD2 3.99Å; W130-Y197 HydrophobicContact CD2-CD2 3.99Å; W130-Y197 AromaticContact CD2-CG 3.71Å; W130-Y197 HydrophobicContact CD2-CG 3.71Å; W130-Y197 VanDerWaalsContact CE3-CB 3.45Å; W130-Y197 HydrophobicContact CE3-CD1 4.19Å; W130-Y197 AromaticContact CE3-CG 3.86Å; W130-Y197 HydrophobicContact CE3-CG 3.86Å; W130-Y197 HydrophobicContact CG-CD1 4.3Å; W130-Y197 AromaticContact CG-CD2 3.8Å; W130-Y197 HydrophobicContact CG-CD2 3.8Å; W130-Y197 HydrophobicContact CG-CE2 4.12Å; W130-Y197 AromaticContact CG-CG 3.89Å; W130-Y197 HydrophobicContact CG-CG 3.89Å; W130-Y197 HydrophobicContact CZ3-CG 4.49Å; W130-Y197 PolarHBondContact N-OH 2.79Å; F131-Y197 HydrophobicContact CD2-CE1 4.11Å; I187-Y197 HydrophobicContact CB-CE1 4.39Å; I187-Y197 HydrophobicContact CG2-CD1 4.22Å; I187-Y197 HydrophobicContact CG2-CE1 4.1Å; Q188-Y197 CarbonylContact C-O 3.56Å; Q188-Y197 VanDerWaalsContact CA-O 3.31Å; Q188-Y197 WeakPolarHBondContact CA-O 3.47Å; C189-Y197 HydrophobicContact CB-CD1 4.46Å; C189-Y197 PolarHBondContact N-O 2.61Å; C189-Y197 PolarHBondContact O-N 2.78Å; Y197-N199 HydrophobicContact CE1-CB 3.97Å; Y197-N199 HydrophobicContact CE2-CB 3.91Å; Y197-N199 VanDerWaalsContact CZ-CB 3.47Å; Y197-N199 WeakPolarHBondContact OH-CB 3.47Å; Y197-H201 PolarHBondContact OH-CE1 3.07Å; Y197-H201 VanDerWaalsContact OH-CE1 3.22Å; Y197-H201 PolarHBondContact OH-NE2 3.28Å
198	T	94.5	Very high	91.7	Very high	69 Å²	69	48.5 Å²	48.5	42%	0.423	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	122.2	169.5	-68.5	0	0	0	0	107.9	I187 Q188	I187-T198 VanDerWaalsContact O-CA 3.31Å; I187-T198 WeakPolarHBondContact O-CA 3.37Å; Q188-T198 HydrophobicContact CG-CG2 4.11Å
199	N	95.6	Very high	90.6	Very high	4 Å²	4	47.7 Å²	47.7	2%	0.021	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	167.1	176	-152.9	-4.4	0	0	0	111.4	N129 I187 Y197 L362	N129-N199 VanDerWaalsContact CG-ND2 3.26Å; N129-N199 PolarHBondContact ND2-ND2 3.06Å; N129-N199 PolarHBondContact OD1-ND2 3.48Å; I187-N199 PolarHBondContact N-O 2.72Å; I187-N199 PolarHBondContact O-N 2.67Å; Y197-N199 HydrophobicContact CE1-CB 3.97Å; Y197-N199 HydrophobicContact CE2-CB 3.91Å; Y197-N199 VanDerWaalsContact CZ-CB 3.47Å; Y197-N199 WeakPolarHBondContact OH-CB 3.47Å; N199-L362 PolarHBondContact ND2-O 3.48Å; N199-L362 VanDerWaalsContact ND2-O 3.1Å; N199-L362 WeakPolarHBondContact OD1-CB 3.4Å
200	Y	96.3	Very high	89.7	Confident	17 Å²	17	47.7 Å²	47.7	7%	0.067	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	137.7	-179.7	-52.3	-95.6	0	0	0	108.1	K186 K349 V350 D353 L362	K186-Y200 HydrophobicContact CB-CD1 3.97Å; K186-Y200 HydrophobicContact CB-CE1 4.01Å; K186-Y200 HydrophobicContact CD-CD1 4.46Å; K186-Y200 HydrophobicContact CD-CE1 3.67Å; K186-Y200 WeakPolarHBondContact CE-OH 3.28Å; K186-Y200 HydrophobicContact CG-CD1 4.03Å; K186-Y200 HydrophobicContact CG-CE1 3.7Å; K186-Y200 PolarHBondContact NZ-OH 3.5Å; Y200-K349 HydrophobicContact CD1-CG 4.41Å; Y200-K349 HydrophobicContact CE1-CG 4.2Å; Y200-V350 HydrophobicContact CD1-CG2 4.11Å; Y200-V350 HydrophobicContact CD2-CG2 3.93Å; Y200-V350 HydrophobicContact CG-CG2 3.67Å; Y200-D353 HydrophobicContact CE1-CB 4.34Å; Y200-D353 WeakPolarHBondContact CE1-OD2 3.29Å; Y200-D353 WeakPolarHBondContact OH-CB 3.44Å; Y200-D353 PolarHBondContact OH-OD2 3.41Å; Y200-L362 HydrophobicContact CD2-CD2 3.95Å
201	H	96.3	Very high	88.5	Confident	9 Å²	9	52.2 Å²	52.2	4%	0.042	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	149.9	-178.4	-56.1	-83.5	0	0	0	111.1	F131 A133 F184 F185 Y197	F131-H201 PolarHBondContact O-CE1 3.28Å; A133-H201 HydrophobicContact CB-CB 4.22Å; F184-H201 WeakPolarHBondContact CA-O 3.16Å; F185-H201 HydrophobicContact CD2-CB 4.15Å; F185-H201 HydrophobicContact CE1-CB 4.11Å; F185-H201 HydrophobicContact CE2-CB 3.51Å; F185-H201 AromaticContact CE2-CD2 3.82Å; F185-H201 AromaticContact CE2-CG 3.92Å; F185-H201 HydrophobicContact CZ-CB 3.52Å; F185-H201 PolarHBondContact N-O 2.86Å; F185-H201 PolarHBondContact O-N 2.57Å; Y197-H201 PolarHBondContact OH-CE1 3.07Å; Y197-H201 VanDerWaalsContact OH-CE1 3.22Å; Y197-H201 PolarHBondContact OH-NE2 3.28Å
202	A	96.9	Very high	87.5	Confident	17 Å²	17	60 Å²	60	14%	0.14	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	139.1	176	0	0	0	0	0	110	D183 F184 L343 F346 V370 Y374	D183-A202 CarbonylContact O-C 3.53Å; D183-A202 WeakPolarHBondContact O-CA 3.16Å; F184-A202 HydrophobicContact CD1-CB 3.79Å; F184-A202 HydrophobicContact CE1-CB 4.03Å; A202-L343 HydrophobicContact CB-CD1 4.22Å; A202-F346 HydrophobicContact CB-CD2 4.17Å; A202-F346 HydrophobicContact CB-CE2 4.2Å; A202-F346 HydrophobicContact CB-CG 4.42Å; A202-F346 HydrophobicContact CB-CZ 4.45Å; A202-V370 HydrophobicContact CB-CG1 4.3Å; A202-Y374 HydrophobicContact CB-CD2 4.01Å; A202-Y374 HydrophobicContact CB-CE2 4.5Å
203	T	97	Very high	86.7	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.314	C	S	.	.			trans	-153.6	172.7	173.7	-173.1	0	0	0	0	108.8	A133 R134 N135 G136 L180 D183 F185 V205 Y374 D377	A133-T203 HydrophobicContact CB-CG2 4.03Å; R134-T203 WeakPolarHBondContact CA-OG1 3.48Å; R134-T203 PolarHBondContact N-OG1 3.36Å; N135-T203 PolarHBondContact N-OG1 3.34Å; G136-T203 PolarHBondContact N-OG1 3.48Å; G136-T203 VanDerWaalsContact N-OG1 3.12Å; L180-T203 HydrophobicContact CD1-CG2 3.54Å; D183-T203 CarbonylContact C-O 3.22Å; D183-T203 WeakPolarHBondContact CA-O 3.11Å; D183-T203 WeakPolarHBondContact CB-O 3.39Å; D183-T203 PolarHBondContact O-N 3.34Å; D183-T203 VanDerWaalsContact O-O 3.1Å; F185-T203 HydrophobicContact CE1-CG2 4.11Å; T203-V205 HydrophobicContact CG2-CG2 4.49Å; T203-Y374 WeakPolarHBondContact O-CE2 3.35Å; T203-D377 VanDerWaalsContact CA-OD2 3.24Å; T203-D377 WeakPolarHBondContact CA-OD2 3.39Å; T203-D377 WeakPolarHBondContact CB-OD2 3.48Å; T203-D377 PolarHBondContact OG1-OD2 3.31Å
204	I	97.3	Very high	85.5	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	32%	0.322	C	S	.	.			trans	-102.4	118.2	177.6	-64.7	-74.4	0	0	0	109.4	G136 L316 H341 Y374 D377 F378 T381 Y382	G136-I204 WeakPolarHBondContact CA-O 3.49Å; G136-I204 PolarHBondContact N-O 2.91Å; I204-L316 HydrophobicContact CD1-CD1 4Å; I204-H341 HydrophobicContact CD1-CB 4.02Å; I204-Y374 HydrophobicContact CD1-CD2 3.94Å; I204-Y374 HydrophobicContact CD1-CE1 4.05Å; I204-Y374 HydrophobicContact CD1-CE2 3.34Å; I204-Y374 VanDerWaalsContact CD1-CZ 3.4Å; I204-Y374 HydrophobicContact CG1-CD2 4.22Å; I204-Y374 HydrophobicContact CG1-CE2 3.98Å; I204-D377 HydrophobicContact CG1-CB 4.19Å; I204-D377 PolarHBondContact N-OD2 3.12Å; I204-F378 HydrophobicContact CD1-CB 3.89Å; I204-F378 HydrophobicContact CD1-CD2 4.22Å; I204-F378 HydrophobicContact CD1-CG 4.48Å; I204-F378 HydrophobicContact CG1-CB 3.81Å; I204-F378 HydrophobicContact CG2-CD2 4.26Å; I204-T381 HydrophobicContact CB-CG2 4.36Å; I204-T381 HydrophobicContact CG2-CG2 3.76Å; I204-Y382 HydrophobicContact CG2-CD2 4.43Å; I204-Y382 HydrophobicContact CG2-CE2 3.91Å
205	V	96.2	Very high	84.1	Confident	20 Å²	20	61.6 Å²	61.6	12%	0.121	33%	0.327	C	S	.	.			trans	-97.2	112.7	169.5	-179.8	0	0	0	0	108.4	L180 T182 D183 T203 K207 H341	L180-V205 HydrophobicContact CB-CG2 4.02Å; L180-V205 WeakPolarHBondContact O-CG1 3.02Å; T182-V205 VanDerWaalsContact O-CG2 3.3Å; T182-V205 WeakPolarHBondContact O-CG2 3.2Å; D183-V205 PolarHBondContact OD1-N 3.08Å; D183-V205 VanDerWaalsContact OD1-N 3.09Å; T203-V205 HydrophobicContact CG2-CG2 4.49Å; V205-K207 PolarHBondContact O-N 3.36Å; V205-H341 PolarHBondContact O-CE1 3.41Å
206	P	91.1	Very high	82.5	Confident	67 Å²	67	62.1 Å²	62.1	44%	0.435	34%	0.341	S	S	.	.			trans	-54.7	134.6	-178.2	-6.1	8.1	0	0	0	111.6	T381 Y382	P206-T381 HydrophobicContact CB-CG2 4.2Å; P206-T381 HydrophobicContact CG-CG2 3.47Å; P206-T381 VanDerWaalsContact CG-CG2 3.47Å; P206-Y382 HydrophobicContact CB-CE1 4.27Å
207	K	89.8	Confident	80.7	Confident	60 Å²	60	58.1 Å²	58.1	26%	0.261	32%	0.321	S	S	.	.			trans	-88.2	125.4	179.6	-56	-57.3	-179.6	-165.3	0	110.8	D183 V205 S209 M210 D340 Y382	D183-K207 IonicContact OD1-NZ 3.39Å; V205-K207 PolarHBondContact O-N 3.36Å; K207-S209 VanDerWaalsContact C-N 3.25Å; K207-S209 PolarHBondContact O-N 2.86Å; K207-M210 HydrophobicContact CB-CG 4.46Å; K207-M210 VanDerWaalsContact O-CB 3.3Å; K207-M210 WeakPolarHBondContact O-CB 3.36Å; K207-M210 WeakPolarHBondContact O-CG 3.41Å; K207-M210 PolarHBondContact O-N 2.81Å; K207-M210 VanDerWaalsContact O-N 3.08Å; K207-D340 VanDerWaalsContact CE-O 3.31Å; K207-D340 WeakPolarHBondContact CE-O 3.47Å; K207-D340 HydrophobicContact CG-CB 4.33Å; K207-Y382 PolarHBondContact N-OH 2.71Å
208	E	78.1	Confident	78.8	Confident	169 Å²	169	65.4 Å²	65.4	79%	0.79	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-57.6	-37.3	179	-65.5	-174.5	166.4	0	0	113.1	M210 N211	E208-M210 PolarHBondContact O-N 3.34Å; E208-N211 WeakPolarHBondContact O-CB 3.43Å; E208-N211 PolarHBondContact O-N 3.32Å
209	S	75.5	Confident	76.8	Confident	43 Å²	43	64 Å²	64	30%	0.301	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-57.2	-10.9	177.2	65.5	0	0	0	0	114.5	K207 R213	K207-S209 VanDerWaalsContact C-N 3.25Å; K207-S209 PolarHBondContact O-N 2.86Å; S209-R213 WeakPolarHBondContact O-CD 3.4Å; S209-R213 VanDerWaalsContact O-CG 3.28Å; S209-R213 WeakPolarHBondContact O-CG 3.47Å; S209-R213 PolarHBondContact O-NE 2.82Å; S209-R213 VanDerWaalsContact O-NE 3.16Å; S209-R213 PolarHBondContact OG-NH2 3.49Å
210	M	74.8	Confident	75.1	Confident	6 Å²	6	65.1 Å²	65.1	3%	0.03	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-69	-34	171.6	-74	-59.5	-49.4	0	0	113	K207 E208 E212 R213 A314 Y382	K207-M210 HydrophobicContact CB-CG 4.46Å; K207-M210 VanDerWaalsContact O-CB 3.3Å; K207-M210 WeakPolarHBondContact O-CB 3.36Å; K207-M210 WeakPolarHBondContact O-CG 3.41Å; K207-M210 PolarHBondContact O-N 2.81Å; K207-M210 VanDerWaalsContact O-N 3.08Å; E208-M210 PolarHBondContact O-N 3.34Å; M210-E212 PolarHBondContact O-N 2.93Å; M210-R213 PolarHBondContact O-N 3.46Å; M210-R213 VanDerWaalsContact O-N 3.11Å; M210-R213 PolarHBondContact SD-NH1 3.32Å; M210-A314 HydrophobicContact CE-CB 4.06Å; M210-A314 HydrophobicContact SD-CB 4.21Å; M210-Y382 HydrophobicContact CG-CE1 4.02Å
211	N	67.1	Low	73.3	Confident	142 Å²	142	74.8 Å²	74.8	76%	0.759	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-63.8	-29.5	-178.5	-67.7	-24.5	0	0	0	111.9	E208	E208-N211 WeakPolarHBondContact O-CB 3.43Å; E208-N211 PolarHBondContact O-N 3.32Å
212	E	66	Low	71.8	Confident	173 Å²	173	80.5 Å²	80.5	81%	0.808	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-78.8	-21.5	178.6	-61.4	177.3	174.2	0	0	113	M210	M210-E212 PolarHBondContact O-N 2.93Å
213	R	70.3	Confident	70.6	Confident	54 Å²	54	81 Å²	81	20%	0.204	42%	0.424	C	S	.	.	G	3₁₀ helix	trans	-92.1	-1.9	-170.9	-65.4	173.1	-156.2	173.3	3.2	114.5	S209 M210 N215 K309 D340	S209-R213 WeakPolarHBondContact O-CD 3.4Å; S209-R213 VanDerWaalsContact O-CG 3.28Å; S209-R213 WeakPolarHBondContact O-CG 3.47Å; S209-R213 PolarHBondContact O-NE 2.82Å; S209-R213 VanDerWaalsContact O-NE 3.16Å; S209-R213 PolarHBondContact OG-NH2 3.49Å; M210-R213 PolarHBondContact O-N 3.46Å; M210-R213 VanDerWaalsContact O-N 3.11Å; M210-R213 PolarHBondContact SD-NH1 3.32Å; R213-N215 PolarHBondContact O-N 2.98Å; R213-K309 VanDerWaalsContact NH2-CE 3.35Å; R213-D340 IonicContact CZ-OD1 2.69Å; R213-D340 VanDerWaalsContact NH1-CG 3.35Å; R213-D340 IonicContact NH1-OD1 3.54Å; R213-D340 PolarHBondContact NH1-OD1 3.47Å; R213-D340 IonicContact NH1-OD2 3.27Å; R213-D340 PolarHBondContact NH1-OD2 3.16Å; R213-D340 IonicContact NH2-OD1 2.76Å; R213-D340 PolarHBondContact NH2-OD1 3.02Å
214	A	57.7	Low	70	Confident	75 Å²	75	81.3 Å²	81.3	62%	0.62	43%	0.426	S	S	*	.			trans	-71.9	62.9	-175.6	0	0	0	0	0	112.3	P216	A214-P216 VanDerWaalsContact O-CD 3.29Å; A214-P216 WeakPolarHBondContact O-CD 3.3Å
215	N	56.1	Low	69.7	Low	125 Å²	125	81.5 Å²	81.5	67%	0.668	43%	0.427	S	S	*	.			trans	-82.1	111.8	163.4	-100.3	-28.9	0	0	0	107.9	R213 V217	R213-N215 PolarHBondContact O-N 2.98Å; N215-V217 VanDerWaalsContact C-N 3.34Å; N215-V217 PolarHBondContact O-N 3.18Å
216	P	53.6	Low	69.5	Low	111 Å²	111	80.5 Å²	80.5	72%	0.721	42%	0.421	S	S	*	.			trans	-69.2	94.1	177.8	27.2	-31.4	0	0	0	108.9	A214 N218	A214-P216 VanDerWaalsContact O-CD 3.29Å; A214-P216 WeakPolarHBondContact O-CD 3.3Å; P216-N218 PolarHBondContact O-N 3.44Å
217	V	53.1	Low	69.7	Low	42 Å²	42	77.4 Å²	77.4	26%	0.255	40%	0.4	S	S	.	.			trans	-58.8	123	168.6	-177	0	0	0	0	107.7	N215 S219 L311	N215-V217 VanDerWaalsContact C-N 3.34Å; N215-V217 PolarHBondContact O-N 3.18Å; V217-S219 WeakPolarHBondContact CG1-OG 3.15Å; V217-S219 PolarHBondContact O-N 3.39Å; V217-L311 HydrophobicContact CB-CD2 4.4Å; V217-L311 HydrophobicContact CG1-CD2 4.24Å; V217-L311 HydrophobicContact CG2-CB 3.85Å; V217-L311 HydrophobicContact CG2-CD2 3.33Å; V217-L311 HydrophobicContact CG2-CG 4.1Å
218	N	51.6	Low	69.9	Low	171 Å²	171	74.8 Å²	74.8	91%	0.914	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	2.4	-172.3	-108.1	-15.5	0	0	0	115.2	P216	P216-N218 PolarHBondContact O-N 3.44Å
219	S	52.3	Low	70.7	Confident	39 Å²	39	66.8 Å²	66.8	27%	0.273	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-14.1	-167.3	55	0	0	0	0	115.5	V217 L525	V217-S219 WeakPolarHBondContact CG1-OG 3.15Å; V217-S219 PolarHBondContact O-N 3.39Å; S219-L525 WeakPolarHBondContact CB-O 3.23Å; S219-L525 PolarHBondContact OG-O 2.91Å
220	F	60	Low	71.5	Confident	27 Å²	27	64.9 Å²	64.9	12%	0.118	34%	0.338	C	S	.	.			trans	-152	113.7	176.2	-115.5	-87.6	0	0	0	112.4	R222 R387 W492 F493 F497 F527	F220-R222 PolarHBondContact O-N 3.34Å; F220-R387 PolarHBondContact O-NH2 3.42Å; F220-W492 HydrophobicContact CD1-CH2 4.48Å; F220-W492 AromaticContact CE1-CH2 3.85Å; F220-W492 HydrophobicContact CE1-CH2 3.85Å; F220-W492 AromaticContact CE1-CZ3 3.96Å; F220-W492 HydrophobicContact CE1-CZ3 3.96Å; F220-F493 HydrophobicContact CZ-CE2 4.13Å; F220-F497 AromaticContact CE1-CE2 3.47Å; F220-F497 HydrophobicContact CE1-CE2 3.47Å; F220-F497 VanDerWaalsContact CE1-CE2 3.47Å; F220-F497 AromaticContact CE1-CZ 3.92Å; F220-F497 HydrophobicContact CE1-CZ 3.92Å; F220-F497 HydrophobicContact CE2-CE2 4.28Å; F220-F497 HydrophobicContact CE2-CZ 4.27Å; F220-F497 HydrophobicContact CZ-CD2 4.13Å; F220-F497 AromaticContact CZ-CE2 3.18Å; F220-F497 HydrophobicContact CZ-CE2 3.18Å; F220-F497 AromaticContact CZ-CZ 3.52Å; F220-F497 HydrophobicContact CZ-CZ 3.52Å; F220-F527 HydrophobicContact CD2-CB 4.05Å; F220-F527 HydrophobicContact CE2-CB 3.46Å; F220-F527 VanDerWaalsContact CE2-CB 3.46Å; F220-F527 AromaticContact CE2-CD1 3.63Å; F220-F527 HydrophobicContact CE2-CD1 3.63Å; F220-F527 HydrophobicContact CE2-CD2 4.34Å; F220-F527 AromaticContact CE2-CG 3.54Å; F220-F527 HydrophobicContact CE2-CG 3.54Å; F220-F527 AromaticContact CZ-CD1 3.87Å; F220-F527 HydrophobicContact CZ-CD1 3.87Å; F220-F527 HydrophobicContact CZ-CE1 4.4Å; F220-F527 HydrophobicContact CZ-CG 4.19Å
221	K	58.1	Low	72	Confident	220 Å²	220	64.8 Å²	64.8	96%	0.957	34%	0.338	S	S	*	.	S	Bend	trans	-63.2	-21.9	178.5	-76.3	-171.1	178.2	-177	0	114
222	R	66.2	Low	72.6	Confident	129 Å²	129	58.2 Å²	58.2	49%	0.487	30%	0.303	S	S	.	.	S	Bend	trans	-106.9	134.2	178.7	-68	-174.4	177.5	178.8	0.5	109.9	F220 L224 W492	F220-R222 PolarHBondContact O-N 3.34Å; R222-L224 PolarHBondContact O-N 2.83Å; R222-W492 HydrophobicContact CB-CH2 4.49Å
223	P	70.2	Confident	72.9	Confident	29 Å²	29	50.4 Å²	50.4	19%	0.188	27%	0.268	C	S	.	.			trans	-63.8	130	174.5	29.4	-35.6	0	0	0	109.3	E385 R387 L425	P223-E385 WeakPolarHBondContact CB-O 3.38Å; P223-R387 HydrophobicContact CB-CG 3.88Å; P223-L425 HydrophobicContact CG-CD1 4.45Å
224	L	85.1	Confident	73.2	Confident	5 Å²	5	48 Å²	48	3%	0.026	26%	0.258	C	S	.	.			trans	-119.7	114	176.8	-178.5	66.6	0	0	0	108.8	R222 Y313 L425 I427 P490 W492 F493 L524	R222-L224 PolarHBondContact O-N 2.83Å; L224-Y313 WeakPolarHBondContact O-CE1 2.98Å; L224-Y313 PolarHBondContact O-OH 2.84Å; L224-L425 WeakPolarHBondContact CD1-O 3.45Å; L224-I427 HydrophobicContact CD1-CD1 4.28Å; L224-I427 HydrophobicContact CD1-CG1 3.71Å; L224-I427 HydrophobicContact CD2-CD1 3.73Å; L224-I427 HydrophobicContact CD2-CG1 4.07Å; L224-I427 HydrophobicContact CG-CD1 4.39Å; L224-I427 HydrophobicContact CG-CG1 4.19Å; L224-P490 HydrophobicContact CD1-CG 4.03Å; L224-W492 HydrophobicContact CD1-CH2 4.18Å; L224-W492 HydrophobicContact CD1-CZ2 3.8Å; L224-F493 HydrophobicContact CD2-CE2 4.26Å; L224-L524 HydrophobicContact CD2-CD1 3.9Å; L224-L524 HydrophobicContact CD2-CD2 3.67Å; L224-L524 HydrophobicContact CD2-CG 4.31Å
225	N	89.9	Confident	74.4	Confident	4 Å²	4	44.4 Å²	44.4	2%	0.021	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	150.8	175.4	-58.3	-42.2	0	0	0	110.1	F379 K388 L425 G426 I427	N225-F379 HydrophobicContact CB-CE1 3.62Å; N225-F379 HydrophobicContact CB-CZ 4.18Å; N225-K388 CarbonylContact C-O 3.49Å; N225-K388 WeakPolarHBondContact CA-O 3.1Å; N225-K388 HydrophobicContact CB-CB 4.32Å; N225-K388 WeakPolarHBondContact OD1-CB 3.35Å; N225-K388 PolarHBondContact OD1-N 3.07Å; N225-L425 PolarHBondContact N-O 2.66Å; N225-G426 CarbonylContact O-C 3.42Å; N225-G426 VanDerWaalsContact O-CA 3.3Å; N225-G426 WeakPolarHBondContact O-CA 3.39Å; N225-I427 PolarHBondContact O-N 3.34Å
226	I	92.9	Very high	76	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	121.3	177.6	-59.5	171.1	0	0	0	106.6	F228 L308 Y313 K388 F389 A390 F429 V521 L524	I226-F228 HydrophobicContact CG2-CD2 3.93Å; I226-F228 HydrophobicContact CG2-CE2 3.51Å; I226-L308 HydrophobicContact CD1-CD1 4.31Å; I226-L308 HydrophobicContact CD1-CD2 4.38Å; I226-Y313 HydrophobicContact CD1-CE1 4.17Å; I226-Y313 HydrophobicContact CG1-CE1 4.35Å; I226-K388 PolarHBondContact N-O 2.95Å; I226-F389 HydrophobicContact CB-CD2 3.9Å; I226-F389 HydrophobicContact CG2-CD2 3.73Å; I226-F389 HydrophobicContact CG2-CE2 3.94Å; I226-F389 CarbonylContact O-C 3.55Å; I226-F389 VanDerWaalsContact O-CA 3.29Å; I226-F389 WeakPolarHBondContact O-CA 3.37Å; I226-A390 PolarHBondContact O-N 3.34Å; I226-F429 HydrophobicContact CG2-CD2 4.41Å; I226-F429 HydrophobicContact CG2-CE2 4.23Å; I226-V521 HydrophobicContact CD1-CG1 3.99Å; I226-V521 HydrophobicContact CG2-CG2 4.34Å; I226-L524 HydrophobicContact CD1-CD1 3.73Å; I226-L524 HydrophobicContact CG1-CD1 4.07Å
227	Y	94.6	Very high	77.6	Confident	2 Å²	2	33.3 Å²	33.3	1%	0.008	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	119.5	178.8	177	-154.5	0	0	0	110.1	L229 V375 A390 Q392 H415 F419 I427 Y428 F429	Y227-L229 HydrophobicContact CE1-CB 4.36Å; Y227-L229 HydrophobicContact CE2-CB 4.14Å; Y227-V375 HydrophobicContact CD2-CG1 4.28Å; Y227-V375 HydrophobicContact CE1-CG1 4.14Å; Y227-V375 HydrophobicContact CE2-CG1 3.84Å; Y227-V375 HydrophobicContact CE2-CG2 4.44Å; Y227-A390 WeakPolarHBondContact CA-O 3.34Å; Y227-A390 HydrophobicContact CD2-CB 3.66Å; Y227-A390 HydrophobicContact CE2-CB 4.27Å; Y227-A390 HydrophobicContact CG-CB 4.34Å; Y227-Q392 HydrophobicContact CE2-CB 3.9Å; Y227-Q392 PolarHBondContact OH-OE1 3.3Å; Y227-H415 AromaticContact CE1-NE2 3.45Å; Y227-H415 WeakPolarHBondContact CE1-NE2 3.41Å; Y227-H415 AromaticContact CZ-NE2 3.52Å; Y227-H415 PolarHBondContact OH-NE2 3.07Å; Y227-F419 HydrophobicContact CD1-CD2 4.47Å; Y227-F419 HydrophobicContact CD1-CE1 4.46Å; Y227-F419 AromaticContact CD1-CE2 3.98Å; Y227-F419 HydrophobicContact CD1-CE2 3.98Å; Y227-F419 AromaticContact CD1-CZ 3.98Å; Y227-F419 HydrophobicContact CD1-CZ 3.98Å; Y227-F419 HydrophobicContact CE1-CD2 4.26Å; Y227-F419 AromaticContact CE1-CE2 3.59Å; Y227-F419 HydrophobicContact CE1-CE2 3.59Å; Y227-F419 AromaticContact CE1-CZ 3.9Å; Y227-F419 HydrophobicContact CE1-CZ 3.9Å; Y227-I427 PolarHBondContact N-O 3.1Å; Y227-Y428 AromaticContact CD1-CD1 3.57Å; Y227-Y428 HydrophobicContact CD1-CD1 3.57Å; Y227-Y428 AromaticContact CD1-CE1 3.88Å; Y227-Y428 HydrophobicContact CD1-CE1 3.88Å; Y227-Y428 HydrophobicContact CG-CD1 4.12Å; Y227-Y428 CarbonylContact O-C 3.57Å; Y227-Y428 WeakPolarHBondContact O-CA 3Å; Y227-F429 PolarHBondContact O-N 2.64Å
228	F	95.5	Very high	79.1	Confident	4 Å²	4	31.3 Å²	31.3	2%	0.018	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	117.3	169.2	-71.3	-92.6	0	0	0	109.2	I226 I276 F389 A390 F391 Q392 F429 I431 V521	I226-F228 HydrophobicContact CG2-CD2 3.93Å; I226-F228 HydrophobicContact CG2-CE2 3.51Å; F228-I276 HydrophobicContact CD1-CG2 4.37Å; F228-I276 HydrophobicContact CE1-CG2 3.78Å; F228-I276 HydrophobicContact CZ-CG2 4.07Å; F228-F389 HydrophobicContact CD2-CE2 4.01Å; F228-F389 HydrophobicContact CD2-CZ 4.34Å; F228-F389 AromaticContact CE2-CE2 3.94Å; F228-F389 HydrophobicContact CE2-CE2 3.94Å; F228-A390 PolarHBondContact N-O 3.33Å; F228-F391 HydrophobicContact CB-CD2 3.36Å; F228-F391 HydrophobicContact CB-CE2 3.68Å; F228-F391 HydrophobicContact CB-CG 4.14Å; F228-F391 HydrophobicContact CD1-CD2 4.36Å; F228-F391 HydrophobicContact CD1-CE2 4.05Å; F228-F391 AromaticContact CD2-CD2 3.74Å; F228-F391 HydrophobicContact CD2-CD2 3.74Å; F228-F391 HydrophobicContact CD2-CE2 4.19Å; F228-F391 AromaticContact CG-CD2 3.56Å; F228-F391 HydrophobicContact CG-CD2 3.56Å; F228-F391 AromaticContact CG-CE2 3.72Å; F228-F391 HydrophobicContact CG-CE2 3.72Å; F228-Q392 PolarHBondContact O-N 3.23Å; F228-F429 CarbonylContact C-O 3.58Å; F228-F429 VanDerWaalsContact CA-O 3.31Å; F228-F429 WeakPolarHBondContact CA-O 3.36Å; F228-F429 HydrophobicContact CD1-CB 3.38Å; F228-F429 HydrophobicContact CD1-CD2 4.12Å; F228-F429 AromaticContact CD1-CG 3.88Å; F228-F429 HydrophobicContact CD1-CG 3.88Å; F228-F429 HydrophobicContact CD2-CD2 4.29Å; F228-F429 HydrophobicContact CE1-CB 3.49Å; F228-F429 VanDerWaalsContact CE1-CB 3.49Å; F228-F429 HydrophobicContact CE1-CD1 4.02Å; F228-F429 AromaticContact CE1-CD2 3.66Å; F228-F429 HydrophobicContact CE1-CD2 3.66Å; F228-F429 HydrophobicContact CE1-CE2 4.36Å; F228-F429 AromaticContact CE1-CG 3.45Å; F228-F429 HydrophobicContact CE1-CG 3.45Å; F228-F429 VanDerWaalsContact CE1-CG 3.45Å; F228-F429 AromaticContact CE2-CD2 3.84Å; F228-F429 HydrophobicContact CE2-CD2 3.84Å; F228-F429 HydrophobicContact CE2-CE2 4.22Å; F228-F429 HydrophobicContact CE2-CG 4.48Å; F228-F429 HydrophobicContact CG-CB 4.05Å; F228-F429 HydrophobicContact CG-CD2 4.42Å; F228-F429 HydrophobicContact CZ-CB 4.24Å; F228-F429 HydrophobicContact CZ-CD1 4.38Å; F228-F429 AromaticContact CZ-CD2 3.5Å; F228-F429 HydrophobicContact CZ-CD2 3.5Å; F228-F429 VanDerWaalsContact CZ-CD2 3.5Å; F228-F429 AromaticContact CZ-CE2 3.84Å; F228-F429 HydrophobicContact CZ-CE2 3.84Å; F228-F429 AromaticContact CZ-CG 3.8Å; F228-F429 HydrophobicContact CZ-CG 3.8Å; F228-F429 HydrophobicContact CZ-CZ 4.42Å; F228-I431 HydrophobicContact CD1-CD1 3.53Å; F228-I431 HydrophobicContact CD1-CG1 4.36Å; F228-I431 HydrophobicContact CE1-CD1 3.86Å; F228-V521 HydrophobicContact CE2-CG2 3.85Å; F228-V521 HydrophobicContact CZ-CG2 3.63Å
229	L	94.1	Very high	80.8	Confident	2 Å²	2	23.2 Å²	23.2	1%	0.01	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	115.8	171.7	172.1	59	0	0	0	108.9	Y227 F231 L372 Q392 T412 F429 I430 I431	Y227-L229 HydrophobicContact CE1-CB 4.36Å; Y227-L229 HydrophobicContact CE2-CB 4.14Å; L229-F231 HydrophobicContact CD1-CE2 3.98Å; L229-F231 HydrophobicContact CD1-CZ 4.19Å; L229-F231 HydrophobicContact CD2-CE2 4.11Å; L229-F231 HydrophobicContact CG-CE2 3.82Å; L229-F231 HydrophobicContact CG-CZ 4.42Å; L229-L372 HydrophobicContact CD1-CD2 4.29Å; L229-Q392 VanDerWaalsContact CD1-OE1 3.3Å; L229-T412 HydrophobicContact CD2-CG2 4.02Å; L229-F429 PolarHBondContact N-O 2.97Å; L229-I430 CarbonylContact O-C 3.53Å; L229-I430 WeakPolarHBondContact O-CA 3.46Å; L229-I431 PolarHBondContact O-N 2.69Å
230	G	91.3	Very high	82.6	Confident	2 Å²	2	22.5 Å²	22.5	2%	0.021	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	142.3	-170.9	0	0	0	0	0	113.9	Q392 H394 I431	G230-Q392 WeakPolarHBondContact CA-O 3.24Å; G230-Q392 PolarHBondContact N-O 3.22Å; G230-H394 PolarHBondContact O-N 3.36Å; G230-I431 CarbonylContact C-O 3.53Å; G230-I431 WeakPolarHBondContact CA-O 3.48Å
231	F	87.3	Confident	84	Confident	4 Å²	4	22.2 Å²	22.2	2%	0.018	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	133.1	164.7	-60	-99.3	0	0	0	111.2	L229 H394 Y397 A408 T412 I431 M432 R433	L229-F231 HydrophobicContact CD1-CE2 3.98Å; L229-F231 HydrophobicContact CD1-CZ 4.19Å; L229-F231 HydrophobicContact CD2-CE2 4.11Å; L229-F231 HydrophobicContact CG-CE2 3.82Å; L229-F231 HydrophobicContact CG-CZ 4.42Å; F231-H394 CarbonylContact C-O 3.51Å; F231-H394 WeakPolarHBondContact CA-O 3.49Å; F231-H394 HydrophobicContact CD1-CB 3.8Å; F231-H394 HydrophobicContact CE1-CB 4.13Å; F231-H394 AromaticContact CE1-CD2 3.99Å; F231-H394 HydrophobicContact CG-CB 4.46Å; F231-Y397 HydrophobicContact CD1-CD2 4.06Å; F231-Y397 AromaticContact CE1-CD2 3.88Å; F231-Y397 HydrophobicContact CE1-CD2 3.88Å; F231-Y397 HydrophobicContact CE1-CE2 4.1Å; F231-A408 HydrophobicContact CD1-CB 4.45Å; F231-A408 HydrophobicContact CE1-CB 3.75Å; F231-A408 HydrophobicContact CZ-CB 4.43Å; F231-T412 HydrophobicContact CE2-CG2 4.42Å; F231-T412 HydrophobicContact CZ-CG2 4.19Å; F231-T412 WeakPolarHBondContact CZ-OG1 3.47Å; F231-I431 PolarHBondContact N-O 3.42Å; F231-M432 HydrophobicContact CB-CB 4.22Å; F231-M432 HydrophobicContact CB-CG 3.79Å; F231-M432 HydrophobicContact CB-SD 3.6Å; F231-M432 HydrophobicContact CD2-CG 3.71Å; F231-M432 HydrophobicContact CD2-SD 3.53Å; F231-M432 VanDerWaalsContact CD2-SD 3.53Å; F231-M432 HydrophobicContact CE2-SD 4.4Å; F231-M432 HydrophobicContact CG-CG 4.15Å; F231-M432 HydrophobicContact CG-SD 3.72Å; F231-M432 CarbonylContact O-C 3.55Å; F231-M432 VanDerWaalsContact O-CA 3.3Å; F231-M432 WeakPolarHBondContact O-CA 3.44Å; F231-R433 PolarHBondContact O-N 2.75Å
232	D	79.4	Confident	85.5	Confident	4 Å²	4	12.2 Å²	12.2	2%	0.021	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	116	-178.9	-169.1	-6	0	0	0	108.9	T269 I393 H394 V395 S398 H399 R433	D232-T269 WeakPolarHBondContact OD2-CB 3.2Å; D232-T269 VanDerWaalsContact OD2-CG2 3.28Å; D232-T269 WeakPolarHBondContact OD2-CG2 3.07Å; D232-T269 PolarHBondContact OD2-OG1 2.8Å; D232-I393 HydrophobicContact CB-CG2 4.45Å; D232-H394 PolarHBondContact N-O 3.24Å; D232-V395 HydrophobicContact CB-CB 4.46Å; D232-V395 HydrophobicContact CB-CG1 4.46Å; D232-V395 HydrophobicContact CB-CG2 4.17Å; D232-S398 PolarHBondContact O-OG 2.97Å; D232-H399 PolarHBondContact O-N 3.09Å; D232-R433 WeakPolarHBondContact OD1-CD 3.22Å; D232-R433 IonicContact OD1-NE 2.93Å; D232-R433 PolarHBondContact OD1-NE 2.72Å; D232-R433 IonicContact OD2-NE 3.04Å
233	S	71.8	Confident	86.8	Confident	10 Å²	10	6.1 Å²	6.1	7%	0.07	3%	0.033	C	C	.	.	T	Hydrogen-bonded Turn	cis	-130.5	116.1	-4.4	-100.4	0	0	0	0	114	S398 R433 S435	S233-S398 PolarHBondContact N-OG 3.16Å; S233-S398 VanDerWaalsContact N-OG 3.1Å; S233-R433 CarbonylContact C-O 3.58Å; S233-R433 WeakPolarHBondContact CA-O 3.39Å; S233-R433 WeakPolarHBondContact OG-CD 3.29Å; S233-R433 WeakPolarHBondContact OG-CG 3.3Å; S233-R433 PolarHBondContact OG-NE 3.33Å; S233-R433 PolarHBondContact OG-O 2.84Å; S233-S435 WeakPolarHBondContact OG-CA 3.41Å; S233-S435 WeakPolarHBondContact OG-CB 3.37Å; S233-S435 PolarHBondContact OG-N 3.21Å
234	V	75.4	Confident	87.9	Confident	2 Å²	2	11 Å²	11	1%	0.012	5%	0.051	C	C	.	.			trans	-131.1	124.3	177.8	-173.4	0	0	0	0	111.4	S238 F239 A405 M432 R433	V234-S238 VanDerWaalsContact CG1-C 3.48Å; V234-F239 HydrophobicContact CG1-CB 4.31Å; V234-F239 VanDerWaalsContact CG1-N 3.26Å; V234-A405 HydrophobicContact CG2-CB 3.76Å; V234-M432 HydrophobicContact CB-CB 4.48Å; V234-M432 HydrophobicContact CB-CE 3.55Å; V234-M432 HydrophobicContact CB-SD 4.38Å; V234-M432 HydrophobicContact CG1-CE 3.42Å; V234-M432 VanDerWaalsContact CG1-CE 3.42Å; V234-M432 HydrophobicContact CG2-CE 4.46Å; V234-M432 CarbonylContact O-C 3.56Å; V234-R433 CarbonylContact C-O 3.58Å; V234-R433 WeakPolarHBondContact CA-O 3.11Å; V234-R433 PolarHBondContact N-O 3.47Å; V234-R433 CarbonylContact O-C 3.36Å
235	S	84.7	Confident	88.5	Confident	1 Å²	1	15.9 Å²	15.9	1%	0.007	7%	0.074	C	C	.	.	B	Isolated β-bridge	trans	-66.7	171	173.6	75.7	0	0	0	0	113.3	M237 S238 F239 E479	S235-M237 VanDerWaalsContact C-N 3.27Å; S235-M237 PolarHBondContact O-N 2.86Å; S235-M237 PolarHBondContact OG-N 3.35Å; S235-S238 PolarHBondContact O-N 2.94Å; S235-S238 WeakPolarHBondContact OG-CB 3.31Å; S235-S238 PolarHBondContact OG-N 3.42Å; S235-S238 PolarHBondContact OG-OG 3.29Å; S235-S238 VanDerWaalsContact OG-OG 3.07Å; S235-F239 WeakPolarHBondContact O-CB 3.34Å; S235-F239 PolarHBondContact O-N 3.16Å; S235-E479 WeakPolarHBondContact CB-O 3.42Å; S235-E479 PolarHBondContact OG-OE2 2.99Å
236	R	88.4	Confident	88.7	Confident	1 Å²	1	15.7 Å²	15.7	0%	0.004	7%	0.073	C	C	.	.	H	α-helix	trans	-55.4	-44.7	172.3	-169	178.5	75.5	-103.1	-4.7	112.1	E88 F239 M240 E260 N482 F484	E88-R236 IonicContact OE1-NE 2.69Å; E88-R236 IonicContact OE2-CZ 3.56Å; E88-R236 IonicContact OE2-NE 3.74Å; E88-R236 IonicContact OE2-NH2 3.25Å; E88-R236 PolarHBondContact OE2-NH2 3.33Å; R236-F239 WeakPolarHBondContact O-CB 3.44Å; R236-F239 PolarHBondContact O-N 2.89Å; R236-M240 HydrophobicContact CG-SD 4.12Å; R236-M240 VanDerWaalsContact O-CG 3.25Å; R236-M240 WeakPolarHBondContact O-CG 3.1Å; R236-M240 PolarHBondContact O-N 3.22Å; R236-M240 VanDerWaalsContact O-N 3.15Å; R236-E260 PolarHBondContact NH1-O 2.67Å; R236-N482 WeakPolarHBondContact CB-O 3.45Å; R236-N482 PolarHBondContact N-O 2.99Å; R236-F484 HydrophobicContact CB-CB 4.42Å; R236-F484 HydrophobicContact CG-CB 4.43Å; R236-F484 HydrophobicContact CG-CD2 4.04Å
237	M	86.9	Confident	88.8	Confident	1 Å²	1	18.5 Å²	18.5	1%	0.005	8%	0.084	C	C	.	.	H	α-helix	trans	-71.3	-43.5	-178.7	-71	-69.1	148.9	0	0	111.3	E88 Q105 I107 S235 F239 M240 R241 E479	E88-M237 HydrophobicContact CG-CE 4.27Å; E88-M237 WeakPolarHBondContact OE2-CE 3.39Å; Q105-M237 HydrophobicContact CB-CE 3.63Å; Q105-M237 HydrophobicContact CB-CG 4.34Å; Q105-M237 HydrophobicContact CB-SD 4.25Å; I107-M237 HydrophobicContact CB-SD 4.19Å; I107-M237 HydrophobicContact CG1-SD 4.46Å; S235-M237 VanDerWaalsContact C-N 3.27Å; S235-M237 PolarHBondContact O-N 2.86Å; S235-M237 PolarHBondContact OG-N 3.35Å; M237-F239 VanDerWaalsContact C-N 3.27Å; M237-F239 PolarHBondContact O-N 2.84Å; M237-M240 PolarHBondContact O-N 3.07Å; M237-R241 WeakPolarHBondContact O-CG 3.37Å; M237-R241 PolarHBondContact O-N 2.75Å; M237-E479 HydrophobicContact CB-CG 3.82Å; M237-E479 WeakPolarHBondContact CB-OE1 3.16Å; M237-E479 WeakPolarHBondContact CB-OE2 3.48Å; M237-E479 HydrophobicContact CG-CG 3.84Å
238	S	85.3	Confident	88.8	Confident	1 Å²	1	23 Å²	23	1%	0.007	10%	0.103	C	C	.	.	H	α-helix	trans	-62.5	-35.2	175.8	-60.5	0	0	0	0	111.4	F116 V234 S235 R241 K242 E470	F116-S238 WeakPolarHBondContact CZ-OG 3.37Å; V234-S238 VanDerWaalsContact CG1-C 3.48Å; S235-S238 PolarHBondContact O-N 2.94Å; S235-S238 WeakPolarHBondContact OG-CB 3.31Å; S235-S238 PolarHBondContact OG-N 3.42Å; S235-S238 PolarHBondContact OG-OG 3.29Å; S235-S238 VanDerWaalsContact OG-OG 3.07Å; S238-R241 PolarHBondContact O-N 2.73Å; S238-K242 VanDerWaalsContact O-CB 3.29Å; S238-K242 WeakPolarHBondContact O-CB 3.41Å; S238-K242 WeakPolarHBondContact O-CG 3.24Å; S238-K242 PolarHBondContact O-N 2.9Å; S238-E470 PolarHBondContact OG-OE1 3.37Å
239	F	88	Confident	88.8	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-59.3	-53.3	171.7	-175.9	-121	0	0	0	111.5	V234 S235 R236 M237 R241 K242 L243 T246 Y247 I250 M432 F484	V234-F239 HydrophobicContact CG1-CB 4.31Å; V234-F239 VanDerWaalsContact CG1-N 3.26Å; S235-F239 WeakPolarHBondContact O-CB 3.34Å; S235-F239 PolarHBondContact O-N 3.16Å; R236-F239 WeakPolarHBondContact O-CB 3.44Å; R236-F239 PolarHBondContact O-N 2.89Å; M237-F239 VanDerWaalsContact C-N 3.27Å; M237-F239 PolarHBondContact O-N 2.84Å; F239-R241 PolarHBondContact O-N 3.29Å; F239-K242 PolarHBondContact O-N 3.01Å; F239-K242 VanDerWaalsContact O-N 3.08Å; F239-L243 HydrophobicContact CD2-CB 3.53Å; F239-L243 HydrophobicContact CD2-CD1 4.1Å; F239-L243 HydrophobicContact CD2-CD2 3.83Å; F239-L243 HydrophobicContact CD2-CG 4.02Å; F239-L243 HydrophobicContact CE2-CB 3.54Å; F239-L243 HydrophobicContact CE2-CD2 3.53Å; F239-L243 HydrophobicContact CE2-CG 4.07Å; F239-L243 HydrophobicContact CG-CB 4.46Å; F239-L243 HydrophobicContact CZ-CB 4.33Å; F239-L243 WeakPolarHBondContact O-CA 3.4Å; F239-L243 PolarHBondContact O-N 3.04Å; F239-T246 HydrophobicContact CE2-CG2 4.15Å; F239-T246 HydrophobicContact CZ-CG2 3.81Å; F239-Y247 AromaticContact CD1-CD2 3.88Å; F239-Y247 HydrophobicContact CD1-CD2 3.88Å; F239-Y247 HydrophobicContact CD1-CG 4.48Å; F239-Y247 AromaticContact CE1-CD2 3.77Å; F239-Y247 HydrophobicContact CE1-CD2 3.77Å; F239-Y247 HydrophobicContact CE1-CG 4.26Å; F239-I250 HydrophobicContact CE1-CD1 4.24Å; F239-I250 HydrophobicContact CZ-CD1 3.81Å; F239-M432 HydrophobicContact CB-CE 3.1Å; F239-M432 HydrophobicContact CD1-CE 4.39Å; F239-M432 HydrophobicContact CD2-CE 2.84Å; F239-M432 HydrophobicContact CD2-CG 4.46Å; F239-M432 HydrophobicContact CD2-SD 3.32Å; F239-M432 WeakPolarHBondContact CD2-SD 3.25Å; F239-M432 HydrophobicContact CE2-CE 3.73Å; F239-M432 HydrophobicContact CE2-SD 3.59Å; F239-M432 VanDerWaalsContact CE2-SD 3.59Å; F239-M432 HydrophobicContact CG-CE 3.19Å; F239-M432 HydrophobicContact CG-SD 4.2Å; F239-F484 HydrophobicContact CB-CB 3.92Å; F239-F484 HydrophobicContact CB-CD2 4.42Å; F239-F484 HydrophobicContact CB-CG 4.21Å; F239-F484 HydrophobicContact CD1-CB 4.06Å; F239-F484 AromaticContact CD1-CD1 3.74Å; F239-F484 HydrophobicContact CD1-CD1 3.74Å; F239-F484 AromaticContact CD1-CD2 3.23Å; F239-F484 HydrophobicContact CD1-CD2 3.23Å; F239-F484 AromaticContact CD1-CE1 3.93Å; F239-F484 HydrophobicContact CD1-CE1 3.93Å; F239-F484 AromaticContact CD1-CE2 3.49Å; F239-F484 HydrophobicContact CD1-CE2 3.49Å; F239-F484 VanDerWaalsContact CD1-CE2 3.49Å; F239-F484 AromaticContact CD1-CG 3.38Å; F239-F484 HydrophobicContact CD1-CG 3.38Å; F239-F484 AromaticContact CD1-CZ 3.82Å; F239-F484 HydrophobicContact CD1-CZ 3.82Å; F239-F484 AromaticContact CE1-CD1 3.61Å; F239-F484 HydrophobicContact CE1-CD1 3.61Å; F239-F484 AromaticContact CE1-CD2 3.64Å; F239-F484 HydrophobicContact CE1-CD2 3.64Å; F239-F484 AromaticContact CE1-CE1 3.35Å; F239-F484 HydrophobicContact CE1-CE1 3.35Å; F239-F484 AromaticContact CE1-CE2 3.41Å; F239-F484 HydrophobicContact CE1-CE2 3.41Å; F239-F484 VanDerWaalsContact CE1-CE2 3.41Å; F239-F484 AromaticContact CE1-CG 3.75Å; F239-F484 HydrophobicContact CE1-CG 3.75Å; F239-F484 AromaticContact CE1-CZ 3.25Å; F239-F484 HydrophobicContact CE1-CZ 3.25Å; F239-F484 HydrophobicContact CE2-CD1 4.4Å; F239-F484 HydrophobicContact CG-CB 4.03Å; F239-F484 HydrophobicContact CG-CD1 4.2Å; F239-F484 HydrophobicContact CG-CD2 4.07Å; F239-F484 AromaticContact CG-CG 3.83Å; F239-F484 HydrophobicContact CG-CG 3.83Å; F239-F484 AromaticContact CZ-CD1 3.92Å; F239-F484 HydrophobicContact CZ-CD1 3.92Å; F239-F484 AromaticContact CZ-CE1 3.66Å; F239-F484 HydrophobicContact CZ-CE1 3.66Å; F239-F484 HydrophobicContact CZ-CE2 4.49Å; F239-F484 HydrophobicContact CZ-CG 4.42Å; F239-F484 AromaticContact CZ-CZ 3.98Å; F239-F484 HydrophobicContact CZ-CZ 3.98Å
240	M	90.1	Very high	88.7	Confident	24 Å²	24	23.4 Å²	23.4	12%	0.118	11%	0.105	C	C	.	.	H	α-helix	trans	-64.3	-25.5	-177.3	-66.4	168.4	69.8	0	0	111.5	E88 I107 R236 M237 K244 Y247	E88-M240 HydrophobicContact CG-CE 4.42Å; I107-M240 HydrophobicContact CD1-CB 3.68Å; I107-M240 HydrophobicContact CD1-CE 4.4Å; R236-M240 HydrophobicContact CG-SD 4.12Å; R236-M240 VanDerWaalsContact O-CG 3.25Å; R236-M240 WeakPolarHBondContact O-CG 3.1Å; R236-M240 PolarHBondContact O-N 3.22Å; R236-M240 VanDerWaalsContact O-N 3.15Å; M237-M240 PolarHBondContact O-N 3.07Å; M240-K244 WeakPolarHBondContact O-CG 3.16Å; M240-Y247 HydrophobicContact CE-CE1 4.22Å; M240-Y247 HydrophobicContact CE-CE2 4.19Å; M240-Y247 HydrophobicContact CG-CD2 3.68Å; M240-Y247 HydrophobicContact CG-CE2 3.72Å; M240-Y247 HydrophobicContact CG-CG 4.14Å; M240-Y247 HydrophobicContact SD-CE2 4.08Å
241	R	89.2	Confident	88.7	Confident	21 Å²	21	25.2 Å²	25.2	8%	0.079	12%	0.116	C	C	.	.	H	α-helix	trans	-77.4	-39.6	172.2	-70.1	177.6	-163.8	112.6	5.1	113	I107 M237 S238 F239 K244 E479	I107-R241 HydrophobicContact CD1-CG 4.34Å; I107-R241 HydrophobicContact CG1-CG 3.78Å; I107-R241 VanDerWaalsContact O-CZ 3.29Å; I107-R241 PolarHBondContact O-NE 3.39Å; I107-R241 PolarHBondContact O-NH2 3.11Å; M237-R241 WeakPolarHBondContact O-CG 3.37Å; M237-R241 PolarHBondContact O-N 2.75Å; S238-R241 PolarHBondContact O-N 2.73Å; F239-R241 PolarHBondContact O-N 3.29Å; R241-K244 WeakPolarHBondContact O-CE 3.14Å; R241-E479 IonicContact CZ-OE1 2.65Å; R241-E479 IonicContact CZ-OE2 2.6Å; R241-E479 IonicContact NH1-OE1 2.7Å; R241-E479 PolarHBondContact NH1-OE1 3.27Å; R241-E479 IonicContact NH1-OE2 3.93Å; R241-E479 PolarHBondContact NH1-OE2 3.16Å; R241-E479 IonicContact NH2-OE1 3.94Å; R241-E479 PolarHBondContact NH2-OE1 3.12Å; R241-E479 IonicContact NH2-OE2 3.85Å
242	K	89.8	Confident	89	Confident	11 Å²	11	30.6 Å²	30.6	5%	0.048	14%	0.141	C	C	.	.	H	α-helix	trans	-104.1	-30.5	-165.8	-70.5	-74.1	173.9	173.2	0	115.1	F116 H117 S238 F239 N403 A405 E406	F116-K242 HydrophobicContact CD1-CG 4.44Å; H117-K242 PolarHBondContact O-NZ 3.17Å; S238-K242 VanDerWaalsContact O-CB 3.29Å; S238-K242 WeakPolarHBondContact O-CB 3.41Å; S238-K242 WeakPolarHBondContact O-CG 3.24Å; S238-K242 PolarHBondContact O-N 2.9Å; F239-K242 PolarHBondContact O-N 3.01Å; F239-K242 VanDerWaalsContact O-N 3.08Å; K242-N403 WeakPolarHBondContact CE-OD1 3.3Å; K242-N403 PolarHBondContact NZ-O 2.99Å; K242-N403 PolarHBondContact NZ-OD1 2.97Å; K242-A405 HydrophobicContact CB-CB 4.23Å; K242-E406 HydrophobicContact CD-CB 3.99Å; K242-E406 IonicContact NZ-OE2 2.61Å; K242-E406 WeakPolarHBondContact O-CA 3.37Å
243	L	92.4	Very high	89.6	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.005	17%	0.166	C	C	.	.			trans	-117.6	62.7	179.2	-71.3	77	0	0	0	109.4	F239 Y247 A405 A408 D409 M432	F239-L243 HydrophobicContact CD2-CB 3.53Å; F239-L243 HydrophobicContact CD2-CD1 4.1Å; F239-L243 HydrophobicContact CD2-CD2 3.83Å; F239-L243 HydrophobicContact CD2-CG 4.02Å; F239-L243 HydrophobicContact CE2-CB 3.54Å; F239-L243 HydrophobicContact CE2-CD2 3.53Å; F239-L243 HydrophobicContact CE2-CG 4.07Å; F239-L243 HydrophobicContact CG-CB 4.46Å; F239-L243 HydrophobicContact CZ-CB 4.33Å; F239-L243 WeakPolarHBondContact O-CA 3.4Å; F239-L243 PolarHBondContact O-N 3.04Å; L243-Y247 WeakPolarHBondContact O-CB 3.25Å; L243-Y247 PolarHBondContact O-N 3.43Å; L243-A405 HydrophobicContact CD1-CB 3.77Å; L243-A405 VanDerWaalsContact CD1-O 3.24Å; L243-A405 WeakPolarHBondContact CD1-O 3.12Å; L243-A408 HydrophobicContact CD2-CB 4.17Å; L243-D409 VanDerWaalsContact CA-OD1 3.29Å; L243-D409 WeakPolarHBondContact CA-OD1 3.48Å; L243-D409 HydrophobicContact CB-CB 4.38Å; L243-D409 HydrophobicContact CG-CB 4.29Å; L243-M432 HydrophobicContact CD2-SD 4.29Å
244	K	94.5	Very high	90.5	Very high	130 Å²	130	36.7 Å²	36.7	57%	0.565	17%	0.169	S	C	*	.	H	α-helix	trans	-68.5	-44.4	-171.5	-69.4	176.8	-174.4	169.4	0	111.6	M240 R241 T246 Y247 K248 D409	M240-K244 WeakPolarHBondContact O-CG 3.16Å; R241-K244 WeakPolarHBondContact O-CE 3.14Å; K244-T246 VanDerWaalsContact C-N 3.33Å; K244-Y247 PolarHBondContact O-N 3.44Å; K244-K248 VanDerWaalsContact O-CB 3.32Å; K244-K248 WeakPolarHBondContact O-CB 3.32Å; K244-K248 PolarHBondContact O-N 3.2Å; K244-D409 PolarHBondContact N-OD2 3.35Å
245	E	96.2	Very high	91.3	Very high	109 Å²	109	42.9 Å²	42.9	51%	0.509	20%	0.202	S	C	.	.	H	α-helix	trans	-70.1	-36.9	-178.8	-61.5	-53.9	130.3	0	0	110.5	K248 H249 D409 V413	E245-K248 PolarHBondContact O-N 2.93Å; E245-H249 VanDerWaalsContact O-CB 3.25Å; E245-H249 WeakPolarHBondContact O-CB 3.44Å; E245-H249 PolarHBondContact O-N 3.26Å; E245-D409 PolarHBondContact N-OD1 3.4Å; E245-D409 PolarHBondContact N-OD2 3.06Å; E245-V413 HydrophobicContact CB-CG2 4Å
246	T	94.7	Very high	91.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-63.1	-50	172.9	-54.1	0	0	0	0	110.8	F239 K244 K248 H249 I250 D409 T412 L416	F239-T246 HydrophobicContact CE2-CG2 4.15Å; F239-T246 HydrophobicContact CZ-CG2 3.81Å; K244-T246 VanDerWaalsContact C-N 3.33Å; T246-K248 VanDerWaalsContact C-N 3.32Å; T246-K248 PolarHBondContact O-N 2.9Å; T246-H249 PolarHBondContact O-N 2.69Å; T246-I250 HydrophobicContact CG2-CD1 3.79Å; T246-I250 HydrophobicContact CG2-CG1 4.39Å; T246-I250 WeakPolarHBondContact O-CB 3.39Å; T246-I250 VanDerWaalsContact O-CG1 3.23Å; T246-I250 WeakPolarHBondContact O-CG1 3.45Å; T246-I250 PolarHBondContact O-N 2.84Å; T246-D409 VanDerWaalsContact CB-OD1 3.29Å; T246-D409 WeakPolarHBondContact CB-OD1 3.22Å; T246-D409 PolarHBondContact N-OD1 3.16Å; T246-D409 PolarHBondContact OG1-O 3.23Å; T246-D409 PolarHBondContact OG1-OD1 2.82Å; T246-T412 HydrophobicContact CG2-CG2 3.56Å; T246-L416 HydrophobicContact CG2-CD1 4.09Å
247	Y	94.5	Very high	91.9	Very high	59 Å²	59	44.3 Å²	44.3	23%	0.231	21%	0.213	C	C	.	.	H	α-helix	trans	-56.8	-48.8	177.3	178.5	-95.4	0	0	0	110.9	F239 M240 L243 K244 H249 I250 T251 V258 F484	F239-Y247 AromaticContact CD1-CD2 3.88Å; F239-Y247 HydrophobicContact CD1-CD2 3.88Å; F239-Y247 HydrophobicContact CD1-CG 4.48Å; F239-Y247 AromaticContact CE1-CD2 3.77Å; F239-Y247 HydrophobicContact CE1-CD2 3.77Å; F239-Y247 HydrophobicContact CE1-CG 4.26Å; M240-Y247 HydrophobicContact CE-CE1 4.22Å; M240-Y247 HydrophobicContact CE-CE2 4.19Å; M240-Y247 HydrophobicContact CG-CD2 3.68Å; M240-Y247 HydrophobicContact CG-CE2 3.72Å; M240-Y247 HydrophobicContact CG-CG 4.14Å; M240-Y247 HydrophobicContact SD-CE2 4.08Å; L243-Y247 WeakPolarHBondContact O-CB 3.25Å; L243-Y247 PolarHBondContact O-N 3.43Å; K244-Y247 PolarHBondContact O-N 3.44Å; Y247-H249 PolarHBondContact O-N 3.34Å; Y247-I250 PolarHBondContact O-N 2.94Å; Y247-T251 HydrophobicContact CD2-CG2 4.43Å; Y247-T251 HydrophobicContact CE1-CG2 4.13Å; Y247-T251 HydrophobicContact CE2-CG2 4Å; Y247-T251 PolarHBondContact O-N 2.85Å; Y247-T251 PolarHBondContact O-OG1 3.38Å; Y247-V258 HydrophobicContact CE2-CG2 4.12Å; Y247-F484 HydrophobicContact CD2-CD2 4.44Å; Y247-F484 AromaticContact CD2-CE2 3.66Å; Y247-F484 HydrophobicContact CD2-CE2 3.66Å; Y247-F484 HydrophobicContact CD2-CZ 4.26Å; Y247-F484 AromaticContact CE2-CE2 3.81Å; Y247-F484 HydrophobicContact CE2-CE2 3.81Å
248	K	95.7	Very high	92.2	Very high	95 Å²	95	44.9 Å²	44.9	41%	0.413	22%	0.216	S	C	.	.	H	α-helix	trans	-57.1	-50.6	177.1	-174.6	-172.7	174.7	-171.5	0	111.5	K244 E245 T246 I250 T251 E252	K244-K248 VanDerWaalsContact O-CB 3.32Å; K244-K248 WeakPolarHBondContact O-CB 3.32Å; K244-K248 PolarHBondContact O-N 3.2Å; E245-K248 PolarHBondContact O-N 2.93Å; T246-K248 VanDerWaalsContact C-N 3.32Å; T246-K248 PolarHBondContact O-N 2.9Å; K248-I250 VanDerWaalsContact C-N 3.35Å; K248-I250 PolarHBondContact O-N 3.14Å; K248-T251 PolarHBondContact O-N 3.44Å; K248-T251 PolarHBondContact O-OG1 2.84Å; K248-E252 WeakPolarHBondContact CE-OE2 3.5Å; K248-E252 VanDerWaalsContact CG-CD 3.49Å; K248-E252 HydrophobicContact CG-CG 4.18Å; K248-E252 VanDerWaalsContact CG-OE2 3.26Å; K248-E252 WeakPolarHBondContact CG-OE2 3.3Å; K248-E252 VanDerWaalsContact O-CB 3.28Å; K248-E252 WeakPolarHBondContact O-CB 3.12Å; K248-E252 PolarHBondContact O-N 3.19Å
249	H	94.1	Very high	92.6	Very high	15 Å²	15	44.9 Å²	44.9	7%	0.069	22%	0.216	C	C	.	.	I	π-helix	trans	-60.2	-43.9	179.8	-173.7	62.4	0	0	0	111.8	E245 T246 Y247 T251 E253 L254 V413	E245-H249 VanDerWaalsContact O-CB 3.25Å; E245-H249 WeakPolarHBondContact O-CB 3.44Å; E245-H249 PolarHBondContact O-N 3.26Å; T246-H249 PolarHBondContact O-N 2.69Å; Y247-H249 PolarHBondContact O-N 3.34Å; H249-T251 PolarHBondContact O-N 3.1Å; H249-E253 WeakPolarHBondContact ND1-CB 3.06Å; H249-E253 WeakPolarHBondContact O-CB 2.98Å; H249-E253 PolarHBondContact O-N 3.22Å; H249-E253 VanDerWaalsContact O-N 3.08Å; H249-L254 PolarHBondContact O-N 3.38Å; H249-V413 HydrophobicContact CB-CG2 4.35Å
250	I	92.4	Very high	92.8	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.226	C	C	.	.	I	π-helix	trans	-58.5	-49.7	175.6	-69.4	165.6	0	0	0	110.9	F239 T246 Y247 K248 N255 G256 L416 I430 F484 S486 I488	F239-I250 HydrophobicContact CE1-CD1 4.24Å; F239-I250 HydrophobicContact CZ-CD1 3.81Å; T246-I250 HydrophobicContact CG2-CD1 3.79Å; T246-I250 HydrophobicContact CG2-CG1 4.39Å; T246-I250 WeakPolarHBondContact O-CB 3.39Å; T246-I250 VanDerWaalsContact O-CG1 3.23Å; T246-I250 WeakPolarHBondContact O-CG1 3.45Å; T246-I250 PolarHBondContact O-N 2.84Å; Y247-I250 PolarHBondContact O-N 2.94Å; K248-I250 VanDerWaalsContact C-N 3.35Å; K248-I250 PolarHBondContact O-N 3.14Å; I250-N255 PolarHBondContact O-N 2.96Å; I250-G256 WeakPolarHBondContact O-CA 3.39Å; I250-G256 PolarHBondContact O-N 3.33Å; I250-L416 HydrophobicContact CD1-CD1 4.29Å; I250-L416 HydrophobicContact CG1-CD1 3.8Å; I250-I430 HydrophobicContact CD1-CD1 3.39Å; I250-I430 HydrophobicContact CD1-CG2 4.34Å; I250-I430 HydrophobicContact CG1-CD1 3.68Å; I250-F484 HydrophobicContact CD1-CE1 4.02Å; I250-F484 HydrophobicContact CD1-CZ 4.08Å; I250-F484 HydrophobicContact CG2-CZ 4.47Å; I250-S486 WeakPolarHBondContact CG2-OG 3.2Å; I250-I488 HydrophobicContact CG1-CD1 4.46Å; I250-I488 HydrophobicContact CG2-CD1 4.4Å; I250-I488 HydrophobicContact CG2-CG1 4.5Å
251	T	93	Very high	92.8	Very high	40 Å²	40	46.7 Å²	46.7	25%	0.245	22%	0.224	C	C	.	.	I	π-helix	trans	-82.7	-34.6	-170.9	55.5	0	0	0	0	114.2	Y247 K248 H249 V258	Y247-T251 HydrophobicContact CD2-CG2 4.43Å; Y247-T251 HydrophobicContact CE1-CG2 4.13Å; Y247-T251 HydrophobicContact CE2-CG2 4Å; Y247-T251 PolarHBondContact O-N 2.85Å; Y247-T251 PolarHBondContact O-OG1 3.38Å; K248-T251 PolarHBondContact O-N 3.44Å; K248-T251 PolarHBondContact O-OG1 2.84Å; H249-T251 PolarHBondContact O-N 3.1Å; T251-V258 HydrophobicContact CG2-CG2 3.78Å
252	E	93.6	Very high	93	Very high	117 Å²	117	45.9 Å²	45.9	55%	0.547	22%	0.222	S	C	.	.	I	π-helix	trans	-98.5	-35	-172.1	-60.1	-177.1	179.7	0	0	112.6	K248	K248-E252 WeakPolarHBondContact CE-OE2 3.5Å; K248-E252 VanDerWaalsContact CG-CD 3.49Å; K248-E252 HydrophobicContact CG-CG 4.18Å; K248-E252 VanDerWaalsContact CG-OE2 3.26Å; K248-E252 WeakPolarHBondContact CG-OE2 3.3Å; K248-E252 VanDerWaalsContact O-CB 3.28Å; K248-E252 WeakPolarHBondContact O-CB 3.12Å; K248-E252 PolarHBondContact O-N 3.19Å
253	E	91.5	Very high	93.1	Very high	116 Å²	116	45.4 Å²	45.4	54%	0.542	22%	0.219	S	C	.	.	I	π-helix	trans	-102.4	-39.2	-174.8	-58.6	-66.8	161.2	0	0	112.4	H249	H249-E253 WeakPolarHBondContact ND1-CB 3.06Å; H249-E253 WeakPolarHBondContact O-CB 2.98Å; H249-E253 PolarHBondContact O-N 3.22Å; H249-E253 VanDerWaalsContact O-N 3.08Å
254	L	90.6	Very high	93	Very high	26 Å²	26	45.6 Å²	45.6	14%	0.136	22%	0.221	C	C	.	.	S	Bend	trans	-94.9	-3.6	-177.3	-58.1	179.1	0	0	0	113.5	H249 G256 L416 Q420 I488	H249-L254 PolarHBondContact O-N 3.38Å; L254-G256 PolarHBondContact O-N 3.12Å; L254-G256 VanDerWaalsContact O-N 3.14Å; L254-L416 HydrophobicContact CD1-CB 4.05Å; L254-L416 HydrophobicContact CD1-CD1 4.21Å; L254-Q420 HydrophobicContact CD2-CB 3.96Å; L254-Q420 HydrophobicContact CD2-CG 3.73Å; L254-I488 HydrophobicContact CB-CD1 4.19Å; L254-I488 HydrophobicContact CB-CG1 4.25Å; L254-I488 HydrophobicContact CB-CG2 4.11Å; L254-I488 HydrophobicContact CD1-CD1 3.72Å
255	N	90.8	Very high	92.8	Very high	132 Å²	132	39.9 Å²	39.9	71%	0.706	20%	0.197	S	C	*	.			trans	49.7	34.8	-173.4	-68.5	-25.1	0	0	0	113	I250	I250-N255 PolarHBondContact O-N 2.96Å
256	G	92.6	Very high	92.3	Very high	10 Å²	10	35.3 Å²	35.3	10%	0.103	18%	0.179	C	C	.	.			trans	-64	133	178.1	0	0	0	0	0	111.4	I250 L254 I487	I250-G256 WeakPolarHBondContact O-CA 3.39Å; I250-G256 PolarHBondContact O-N 3.33Å; L254-G256 PolarHBondContact O-N 3.12Å; L254-G256 VanDerWaalsContact O-N 3.14Å; G256-I487 WeakPolarHBondContact CA-O 3.36Å
257	T	94.5	Very high	91.5	Very high	22 Å²	22	36.1 Å²	36.1	14%	0.135	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	111.6	176.1	-61.6	0	0	0	0	110	S486 I487 V504	T257-S486 WeakPolarHBondContact O-CA 3.49Å; T257-S486 PolarHBondContact O-OG 3.44Å; T257-I487 PolarHBondContact N-O 3.5Å; T257-I487 PolarHBondContact O-N 3.06Å; T257-V504 HydrophobicContact CG2-CG1 4.19Å
258	V	93.8	Very high	90.7	Very high	14 Å²	14	34 Å²	34	9%	0.085	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	130.4	172.9	-176.1	0	0	0	0	110	Y247 T251 E260 F484 V485 G508	Y247-V258 HydrophobicContact CE2-CG2 4.12Å; T251-V258 HydrophobicContact CG2-CG2 3.78Å; V258-E260 HydrophobicContact CB-CG 4.38Å; V258-E260 HydrophobicContact CG1-CG 4.13Å; V258-E260 PolarHBondContact O-N 3.03Å; V258-F484 HydrophobicContact CG1-CD2 4.3Å; V258-F484 HydrophobicContact CG1-CE2 3.89Å; V258-F484 HydrophobicContact CG2-CE2 3.88Å; V258-F484 HydrophobicContact CG2-CZ 4.19Å; V258-V485 CarbonylContact C-O 3.43Å; V258-V485 WeakPolarHBondContact CA-O 3.45Å; V258-G508 VanDerWaalsContact O-CA 3.27Å; V258-G508 WeakPolarHBondContact O-CA 3.36Å
259	L	93.6	Very high	90.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.164	C	C	.	.			trans	-85.5	81.5	172.7	-54.8	-172.6	0	0	0	109.4	M261 Y262 V485 L517 L542	L259-M261 PolarHBondContact O-N 3.35Å; L259-M261 VanDerWaalsContact O-N 3.11Å; L259-Y262 HydrophobicContact CD1-CD2 3.93Å; L259-Y262 WeakPolarHBondContact O-CB 3.27Å; L259-Y262 PolarHBondContact O-N 3.27Å; L259-Y262 VanDerWaalsContact O-N 3.1Å; L259-V485 HydrophobicContact CB-CB 4.19Å; L259-V485 HydrophobicContact CB-CG1 4.5Å; L259-V485 HydrophobicContact CD1-CB 4.12Å; L259-V485 HydrophobicContact CD1-CG1 3.6Å; L259-V485 HydrophobicContact CG-CB 4.3Å; L259-V485 HydrophobicContact CG-CG1 4.07Å; L259-V485 PolarHBondContact N-O 3.22Å; L259-L517 HydrophobicContact CD1-CD2 4.04Å; L259-L542 HydrophobicContact CD1-CD1 3.99Å; L259-L542 HydrophobicContact CD2-CD1 4.34Å; L259-L542 HydrophobicContact CD2-CD2 4.44Å
260	E	90.6	Very high	89.8	Confident	46 Å²	46	29.9 Å²	29.9	22%	0.215	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-16.6	-172.1	-66.3	-173.4	-115.9	0	0	114.4	R102 R236 V258 G508	R102-E260 IonicContact CZ-OE2 3.44Å; R102-E260 IonicContact NH1-OE2 3.69Å; R102-E260 PolarHBondContact NH1-OE2 3.29Å; R102-E260 IonicContact NH2-OE2 3.4Å; R102-E260 PolarHBondContact NH2-OE2 3.25Å; R236-E260 PolarHBondContact NH1-O 2.67Å; V258-E260 HydrophobicContact CB-CG 4.38Å; V258-E260 HydrophobicContact CG1-CG 4.13Å; V258-E260 PolarHBondContact O-N 3.03Å; E260-G508 WeakPolarHBondContact CB-O 3.44Å; E260-G508 PolarHBondContact N-O 3.42Å
261	M	91.3	Very high	89.6	Confident	16 Å²	16	30.7 Å²	30.7	8%	0.079	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.3	26.7	177.6	-58.3	-178.8	66.7	0	0	111.9	C100 R102 L259 R510 T512	C100-M261 HydrophobicContact CB-CE 3.99Å; C100-M261 WeakPolarHBondContact O-CE 3.45Å; C100-M261 WeakPolarHBondContact SG-CE 3.21Å; R102-M261 HydrophobicContact CB-CE 3.84Å; R102-M261 HydrophobicContact CB-CG 4.08Å; R102-M261 HydrophobicContact CB-SD 4.04Å; R102-M261 HydrophobicContact CG-CG 4.04Å; L259-M261 PolarHBondContact O-N 3.35Å; L259-M261 VanDerWaalsContact O-N 3.11Å; M261-R510 WeakPolarHBondContact CB-O 3Å; M261-T512 PolarHBondContact O-N 3.38Å
262	Y	93	Very high	89.4	Confident	5 Å²	5	29.3 Å²	29.3	2%	0.02	16%	0.162	C	C	.	.	B	Isolated β-bridge	trans	-68.8	132.9	173.4	-172.4	-86	0	0	0	110.8	L259 N482 P483 V485 T512 P514 L517	L259-Y262 HydrophobicContact CD1-CD2 3.93Å; L259-Y262 WeakPolarHBondContact O-CB 3.27Å; L259-Y262 PolarHBondContact O-N 3.27Å; L259-Y262 VanDerWaalsContact O-N 3.1Å; Y262-N482 PolarHBondContact O-ND2 3.13Å; Y262-P483 HydrophobicContact CD1-CG 3.54Å; Y262-P483 HydrophobicContact CE1-CG 3.58Å; Y262-V485 HydrophobicContact CD1-CG2 3.65Å; Y262-V485 HydrophobicContact CD2-CB 4.18Å; Y262-V485 HydrophobicContact CD2-CG1 4.48Å; Y262-V485 HydrophobicContact CD2-CG2 3.84Å; Y262-V485 HydrophobicContact CE1-CG2 3.69Å; Y262-V485 HydrophobicContact CE2-CG2 3.88Å; Y262-V485 HydrophobicContact CG-CB 4.17Å; Y262-V485 HydrophobicContact CG-CG2 3.68Å; Y262-T512 WeakPolarHBondContact CA-O 3.44Å; Y262-T512 WeakPolarHBondContact CA-OG1 3.38Å; Y262-P514 HydrophobicContact CE1-CG 4.42Å; Y262-P514 WeakPolarHBondContact OH-CA 3.33Å; Y262-P514 VanDerWaalsContact OH-CD 3.3Å; Y262-P514 WeakPolarHBondContact OH-CD 3.27Å; Y262-P514 WeakPolarHBondContact OH-CG 3.48Å; Y262-L517 HydrophobicContact CE2-CD1 3.74Å; Y262-L517 HydrophobicContact CE2-CG 3.99Å
263	N	92.3	Very high	89.3	Confident	0 Å²	0	24 Å²	24	0%	0	14%	0.137	C	C	.	.			trans	-127.9	139	-175.4	-159.3	97.1	0	0	0	110.9	L511 T512 P514 I557 W561 S563	N263-L511 HydrophobicContact CB-CD1 3.98Å; N263-T512 PolarHBondContact N-O 3.24Å; N263-P514 WeakPolarHBondContact O-CD 3.4Å; N263-I557 HydrophobicContact CB-CD1 3.9Å; N263-I557 WeakPolarHBondContact ND2-CG2 3.37Å; N263-W561 PolarHBondContact ND2-O 3.48Å; N263-W561 PolarHBondContact OD1-O 2.95Å; N263-S563 VanDerWaalsContact OD1-CB 3.3Å; N263-S563 WeakPolarHBondContact OD1-CB 3.31Å; N263-S563 PolarHBondContact OD1-N 2.68Å; N263-S563 PolarHBondContact OD1-OG 3.13Å
264	V	90.6	Very high	89.5	Confident	6 Å²	6	18.4 Å²	18.4	4%	0.036	11%	0.111	C	C	.	.			trans	-66	160.9	170.6	-60.7	0	0	0	0	111.4	R481 P483 W561	V264-R481 HydrophobicContact CG2-CB 4.01Å; V264-R481 HydrophobicContact CG2-CG 4.15Å; V264-R481 PolarHBondContact N-O 2.83Å; V264-R481 VanDerWaalsContact N-O 3.1Å; V264-P483 HydrophobicContact CG1-CG 3.8Å; V264-W561 HydrophobicContact CG2-CD2 4.31Å; V264-W561 HydrophobicContact CG2-CE3 3.63Å; V264-W561 HydrophobicContact CG2-CZ3 4.28Å
265	V	90.4	Very high	89.7	Confident	9 Å²	9	17.2 Å²	17.2	6%	0.055	11%	0.105	C	C	.	.			trans	-118.8	-1.6	178.9	-62.7	0	0	0	0	113.1	A271 P275 T513 P514 F515 I557 P558	V265-A271 WeakPolarHBondContact CG2-O 3.28Å; V265-P275 HydrophobicContact CG2-CB 4.42Å; V265-P275 HydrophobicContact CG2-CG 3.78Å; V265-T513 HydrophobicContact CG1-CG2 4.13Å; V265-P514 HydrophobicContact CG2-CG 4.19Å; V265-F515 HydrophobicContact CB-CE2 4.1Å; V265-F515 HydrophobicContact CG1-CD2 4.08Å; V265-F515 HydrophobicContact CG1-CE2 3.69Å; V265-F515 HydrophobicContact CG2-CE2 4.12Å; V265-F515 HydrophobicContact CG2-CZ 4.32Å; V265-I557 HydrophobicContact CG1-CG1 4.13Å; V265-P558 WeakPolarHBondContact O-CD 3.34Å
266	G	85.1	Confident	90	Very high	13 Å²	13	11.1 Å²	11.1	13%	0.134	7%	0.072	C	C	.	.	S	Bend	trans	-178.6	176.9	-178.9	0	0	0	0	0	111.9
267	D	78	Confident	90.2	Very high	18 Å²	18	10.6 Å²	10.6	10%	0.096	7%	0.067	C	C	.	.	S	Bend	trans	-86.3	152.3	-178.5	-160.5	4.7	0	0	0	112.8	A271 W561 S625	D267-A271 WeakPolarHBondContact O-CB 3.32Å; D267-W561 HydrophobicContact CB-CH2 4.05Å; D267-W561 HydrophobicContact CB-CZ2 3.63Å; D267-S625 VanDerWaalsContact CB-OG 3.3Å; D267-S625 WeakPolarHBondContact CB-OG 3.41Å; D267-S625 VanDerWaalsContact CG-OG 3.28Å; D267-S625 WeakPolarHBondContact OD2-CB 3.31Å; D267-S625 PolarHBondContact OD2-OG 2.7Å
268	G	77.7	Confident	90.3	Very high	13 Å²	13	10 Å²	10	13%	0.134	6%	0.064	C	C	.	.	H	α-helix	trans	75.2	152.6	173.4	0	0	0	0	0	114	P270 A271 A272 R433	G268-P270 VanDerWaalsContact C-N 3.27Å; G268-A271 PolarHBondContact O-N 2.72Å; G268-A272 PolarHBondContact O-N 2.78Å; G268-R433 VanDerWaalsContact N-NH2 3.15Å; G268-R433 PolarHBondContact O-NH1 2.96Å
269	T	82.2	Confident	90.5	Very high	16 Å²	16	10 Å²	10	10%	0.098	7%	0.066	C	C	.	.	H	α-helix	trans	-54.9	-37.6	-175.3	-46.6	0	0	0	0	112.7	D232 A271 A272 L273 T326 R433	D232-T269 WeakPolarHBondContact OD2-CB 3.2Å; D232-T269 VanDerWaalsContact OD2-CG2 3.28Å; D232-T269 WeakPolarHBondContact OD2-CG2 3.07Å; D232-T269 PolarHBondContact OD2-OG1 2.8Å; T269-A271 PolarHBondContact O-N 3.09Å; T269-A272 PolarHBondContact O-N 3.08Å; T269-A272 VanDerWaalsContact O-N 3.12Å; T269-L273 HydrophobicContact CG2-CD1 3.59Å; T269-L273 HydrophobicContact CG2-CG 3.91Å; T269-L273 WeakPolarHBondContact O-CG 3.45Å; T269-L273 PolarHBondContact O-N 3.27Å; T269-T326 HydrophobicContact CG2-CG2 4.01Å; T269-T326 WeakPolarHBondContact CG2-OG1 3.41Å; T269-R433 VanDerWaalsContact CA-NH1 3.28Å; T269-R433 VanDerWaalsContact N-NH1 3.14Å; T269-R433 VanDerWaalsContact N-NH2 3.15Å; T269-R433 PolarHBondContact OG1-NE 3.26Å
270	P	87.7	Confident	90.7	Very high	8 Å²	8	14.1 Å²	14.1	5%	0.052	9%	0.085	C	C	.	.	H	α-helix	trans	-58.4	-41.2	174.3	-27.9	37.4	0	0	0	114.1	G268 A272 L273 L274 T326 R330	G268-P270 VanDerWaalsContact C-N 3.27Å; P270-A272 PolarHBondContact O-N 3.35Å; P270-L273 PolarHBondContact O-N 3.42Å; P270-L274 HydrophobicContact CB-CD1 4.04Å; P270-L274 HydrophobicContact CB-CG 4.48Å; P270-L274 WeakPolarHBondContact O-CB 3.24Å; P270-L274 VanDerWaalsContact O-CG 3.31Å; P270-L274 WeakPolarHBondContact O-CG 3.36Å; P270-L274 PolarHBondContact O-N 3.06Å; P270-T326 HydrophobicContact CB-CG2 4.42Å; P270-T326 HydrophobicContact CG-CG2 3.97Å; P270-T326 WeakPolarHBondContact CG-O 3.1Å; P270-R330 VanDerWaalsContact CB-NH2 3.33Å
271	A	87.7	Confident	90.8	Very high	18 Å²	18	13.4 Å²	13.4	15%	0.149	8%	0.083	C	C	.	.	H	α-helix	trans	-72.4	-18.7	-179.8	0	0	0	0	0	113.1	V265 D267 G268 T269 P275	V265-A271 WeakPolarHBondContact CG2-O 3.28Å; D267-A271 WeakPolarHBondContact O-CB 3.32Å; G268-A271 PolarHBondContact O-N 2.72Å; T269-A271 PolarHBondContact O-N 3.09Å; A271-P275 WeakPolarHBondContact O-CD 3.44Å; A271-P275 VanDerWaalsContact O-CG 3.25Å; A271-P275 WeakPolarHBondContact O-CG 3.49Å
272	A	88.8	Confident	90.8	Very high	10 Å²	10	13.1 Å²	13.1	8%	0.083	8%	0.082	C	C	.	.	H	α-helix	trans	-82.8	-43.8	171.6	0	0	0	0	0	111.9	G268 T269 P270 I276 R433	G268-A272 PolarHBondContact O-N 2.78Å; T269-A272 PolarHBondContact O-N 3.08Å; T269-A272 VanDerWaalsContact O-N 3.12Å; P270-A272 PolarHBondContact O-N 3.35Å; A272-I276 WeakPolarHBondContact O-CD1 3.32Å; A272-I276 WeakPolarHBondContact O-CG1 3.49Å; A272-R433 HydrophobicContact CB-CG 4.44Å
273	L	92.9	Very high	90.7	Very high	5 Å²	5	18.3 Å²	18.3	3%	0.026	11%	0.106	C	C	.	.	H	α-helix	trans	-92.4	-34.6	-170	-54.5	-171.4	0	0	0	113.8	T269 P270 I276 L277 T326 F391 I393	T269-L273 HydrophobicContact CG2-CD1 3.59Å; T269-L273 HydrophobicContact CG2-CG 3.91Å; T269-L273 WeakPolarHBondContact O-CG 3.45Å; T269-L273 PolarHBondContact O-N 3.27Å; P270-L273 PolarHBondContact O-N 3.42Å; L273-I276 HydrophobicContact CD2-CD1 4.24Å; L273-I276 WeakPolarHBondContact O-CB 3.29Å; L273-I276 PolarHBondContact O-N 3.33Å; L273-I276 VanDerWaalsContact O-N 3.14Å; L273-L277 HydrophobicContact CB-CD1 4.33Å; L273-L277 WeakPolarHBondContact O-CB 3.41Å; L273-L277 WeakPolarHBondContact O-CG 3.38Å; L273-L277 PolarHBondContact O-N 3.03Å; L273-T326 HydrophobicContact CD1-CG2 4.2Å; L273-F391 HydrophobicContact CB-CZ 4.45Å; L273-F391 HydrophobicContact CD1-CE1 4.09Å; L273-F391 HydrophobicContact CD1-CZ 4.35Å; L273-F391 HydrophobicContact CD2-CZ 4.1Å; L273-I393 HydrophobicContact CD1-CD1 3.94Å; L273-I393 HydrophobicContact CD1-CG1 3.92Å; L273-I393 HydrophobicContact CD2-CD1 4.23Å
274	L	94.7	Very high	90.9	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-58.9	-44.6	177.8	-73.5	171.3	0	0	0	112.1	P270 I276 L277 T278 K280 E282 L285 Y301 F303 Y327	P270-L274 HydrophobicContact CB-CD1 4.04Å; P270-L274 HydrophobicContact CB-CG 4.48Å; P270-L274 WeakPolarHBondContact O-CB 3.24Å; P270-L274 VanDerWaalsContact O-CG 3.31Å; P270-L274 WeakPolarHBondContact O-CG 3.36Å; P270-L274 PolarHBondContact O-N 3.06Å; L274-I276 VanDerWaalsContact C-N 3.29Å; L274-I276 PolarHBondContact O-N 3.38Å; L274-L277 PolarHBondContact O-N 3.27Å; L274-T278 HydrophobicContact CD2-CG2 4.19Å; L274-T278 WeakPolarHBondContact O-CA 3.36Å; L274-T278 WeakPolarHBondContact O-CB 3.5Å; L274-T278 PolarHBondContact O-N 2.73Å; L274-T278 PolarHBondContact O-OG1 3.44Å; L274-K280 CarbonylContact C-O 3.56Å; L274-E282 HydrophobicContact CD1-CB 3.93Å; L274-E282 HydrophobicContact CD1-CG 4.24Å; L274-L285 HydrophobicContact CB-CD1 4.44Å; L274-L285 HydrophobicContact CD1-CD1 4.19Å; L274-L285 HydrophobicContact CD2-CD1 4.05Å; L274-L285 HydrophobicContact CG-CD1 4.48Å; L274-Y301 HydrophobicContact CD1-CE2 4.12Å; L274-Y301 HydrophobicContact CD2-CD2 3.57Å; L274-Y301 HydrophobicContact CD2-CE2 3.64Å; L274-F303 HydrophobicContact CD2-CE1 4.02Å; L274-F303 HydrophobicContact CD2-CZ 4.38Å; L274-Y327 HydrophobicContact CD2-CD1 4.37Å; L274-Y327 HydrophobicContact CD2-CE1 3.52Å; L274-Y327 HydrophobicContact CG-CE1 3.91Å
275	P	95.9	Very high	91.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-63.6	-32	176.7	-30.1	41	0	0	0	113.9	V265 A271 G279 K280 P514 F515 H518	V265-P275 HydrophobicContact CG2-CB 4.42Å; V265-P275 HydrophobicContact CG2-CG 3.78Å; A271-P275 WeakPolarHBondContact O-CD 3.44Å; A271-P275 VanDerWaalsContact O-CG 3.25Å; A271-P275 WeakPolarHBondContact O-CG 3.49Å; P275-G279 WeakPolarHBondContact O-CA 3.37Å; P275-G279 PolarHBondContact O-N 3.27Å; P275-K280 WeakPolarHBondContact CA-O 3.38Å; P275-P514 HydrophobicContact CB-CB 3.5Å; P275-P514 VanDerWaalsContact CB-CB 3.5Å; P275-P514 HydrophobicContact CG-CB 4.28Å; P275-F515 HydrophobicContact CB-CD1 3.77Å; P275-F515 HydrophobicContact CB-CE1 3.58Å; P275-F515 HydrophobicContact CB-CG 4.4Å; P275-F515 HydrophobicContact CB-CZ 4.08Å; P275-F515 HydrophobicContact CG-CE1 4.1Å; P275-F515 HydrophobicContact CG-CZ 4.25Å; P275-H518 VanDerWaalsContact O-CB 3.26Å; P275-H518 WeakPolarHBondContact O-CB 3.43Å
276	I	95.5	Very high	91.5	Very high	4 Å²	4	25.4 Å²	25.4	2%	0.021	14%	0.144	C	C	.	.	H	α-helix	trans	-67.4	-45.5	174.5	-59.5	172.8	0	0	0	109.8	F228 A272 L273 L274 F391 I431 P514 L517 H518	F228-I276 HydrophobicContact CD1-CG2 4.37Å; F228-I276 HydrophobicContact CE1-CG2 3.78Å; F228-I276 HydrophobicContact CZ-CG2 4.07Å; A272-I276 WeakPolarHBondContact O-CD1 3.32Å; A272-I276 WeakPolarHBondContact O-CG1 3.49Å; L273-I276 HydrophobicContact CD2-CD1 4.24Å; L273-I276 WeakPolarHBondContact O-CB 3.29Å; L273-I276 PolarHBondContact O-N 3.33Å; L273-I276 VanDerWaalsContact O-N 3.14Å; L274-I276 VanDerWaalsContact C-N 3.29Å; L274-I276 PolarHBondContact O-N 3.38Å; I276-F391 HydrophobicContact CG2-CE2 4.32Å; I276-I431 HydrophobicContact CD1-CD1 3.61Å; I276-P514 HydrophobicContact CG1-CB 3.81Å; I276-L517 HydrophobicContact CD1-CD1 4.02Å; I276-L517 HydrophobicContact CG1-CB 4.42Å; I276-L517 HydrophobicContact CG1-CD1 4.2Å; I276-L517 HydrophobicContact CG2-CB 4.29Å; I276-H518 VanDerWaalsContact O-CB 3.28Å; I276-H518 WeakPolarHBondContact O-CB 3.24Å; I276-H518 PolarHBondContact O-ND1 3.39Å
277	L	96.9	Very high	92	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-88.6	-21.3	-169.4	-67.6	167.7	0	0	0	113.7	L273 L274 F303 I304 W305 Y327 F389 F391	L273-L277 HydrophobicContact CB-CD1 4.33Å; L273-L277 WeakPolarHBondContact O-CB 3.41Å; L273-L277 WeakPolarHBondContact O-CG 3.38Å; L273-L277 PolarHBondContact O-N 3.03Å; L274-L277 PolarHBondContact O-N 3.27Å; L277-F303 HydrophobicContact CB-CD1 3.89Å; L277-F303 HydrophobicContact CB-CE1 4.4Å; L277-F303 CarbonylContact O-C 3.56Å; L277-F303 WeakPolarHBondContact O-CA 3.23Å; L277-I304 HydrophobicContact CD2-CG2 4.09Å; L277-I304 WeakPolarHBondContact O-CB 3.28Å; L277-I304 PolarHBondContact O-N 2.82Å; L277-W305 HydrophobicContact CB-CZ3 4.3Å; L277-W305 HydrophobicContact CD1-CH2 4.05Å; L277-W305 HydrophobicContact CD1-CZ3 3.51Å; L277-W305 HydrophobicContact CD2-CE3 3.73Å; L277-W305 HydrophobicContact CD2-CZ3 3.53Å; L277-W305 HydrophobicContact CG-CZ3 3.96Å; L277-Y327 WeakPolarHBondContact CD1-OH 3.28Å; L277-F389 HydrophobicContact CD2-CZ 4.16Å; L277-F391 HydrophobicContact CD1-CD1 4.32Å; L277-F391 HydrophobicContact CD1-CE1 3.79Å; L277-F391 HydrophobicContact CD1-CE2 4.16Å; L277-F391 HydrophobicContact CD1-CZ 3.7Å; L277-F391 HydrophobicContact CD2-CD2 3.58Å; L277-F391 HydrophobicContact CD2-CE1 4.47Å; L277-F391 HydrophobicContact CD2-CE2 3.53Å; L277-F391 HydrophobicContact CD2-CG 4.11Å; L277-F391 HydrophobicContact CD2-CZ 4Å; L277-F391 HydrophobicContact CG-CD2 4.41Å; L277-F391 HydrophobicContact CG-CE1 4.45Å; L277-F391 HydrophobicContact CG-CE2 3.91Å; L277-F391 HydrophobicContact CG-CZ 3.92Å
278	T	97.8	Very high	92.8	Very high	9 Å²	9	26.8 Å²	26.8	6%	0.055	15%	0.146	C	C	.	.	H	α-helix	trans	-126.7	-13.1	-175.7	71.5	0	0	0	0	113.4	L274 K280 L285 F303 H518	L274-T278 HydrophobicContact CD2-CG2 4.19Å; L274-T278 WeakPolarHBondContact O-CA 3.36Å; L274-T278 WeakPolarHBondContact O-CB 3.5Å; L274-T278 PolarHBondContact O-N 2.73Å; L274-T278 PolarHBondContact O-OG1 3.44Å; T278-K280 PolarHBondContact O-N 2.72Å; T278-K280 PolarHBondContact OG1-N 2.99Å; T278-K280 VanDerWaalsContact OG1-N 3.16Å; T278-K280 PolarHBondContact OG1-O 2.86Å; T278-L285 HydrophobicContact CG2-CD1 4.3Å; T278-F303 HydrophobicContact CG2-CD1 3.75Å; T278-F303 HydrophobicContact CG2-CE1 4.05Å; T278-F303 HydrophobicContact CG2-CG 4.37Å; T278-H518 VanDerWaalsContact C-CE1 3.47Å
279	G	97.1	Very high	93.5	Very high	14 Å²	14	27.3 Å²	27.3	14%	0.144	15%	0.145	C	C	.	.	S	Bend	trans	73	7.4	-172.2	0	0	0	0	0	113.9	P275 F515 H518 R538	P275-G279 WeakPolarHBondContact O-CA 3.37Å; P275-G279 PolarHBondContact O-N 3.27Å; G279-F515 WeakPolarHBondContact O-CD1 3.48Å; G279-H518 WeakPolarHBondContact CA-CD2 3.3Å; G279-H518 VanDerWaalsContact CA-CG 3.48Å; G279-H518 PolarHBondContact N-CE1 2.83Å; G279-H518 PolarHBondContact N-ND1 3.49Å; G279-R538 PolarHBondContact O-NH2 3.19Å
280	K	97.4	Very high	94	Very high	87 Å²	87	33 Å²	33	38%	0.378	16%	0.164	S	C	.	.	S	Bend	trans	-130.3	152.3	-171.5	-66.6	-174.7	172.7	-162	0	112.7	L274 P275 T278 E284 L285	L274-K280 CarbonylContact C-O 3.56Å; P275-K280 WeakPolarHBondContact CA-O 3.38Å; T278-K280 PolarHBondContact O-N 2.72Å; T278-K280 PolarHBondContact OG1-N 2.99Å; T278-K280 VanDerWaalsContact OG1-N 3.16Å; T278-K280 PolarHBondContact OG1-O 2.86Å; K280-E284 WeakPolarHBondContact CA-OE2 3.37Å; K280-E284 HydrophobicContact CB-CB 4.03Å; K280-E284 HydrophobicContact CD-CB 4.34Å; K280-E284 HydrophobicContact CG-CB 4.4Å; K280-L285 HydrophobicContact CB-CD1 4.38Å; K280-L285 HydrophobicContact CB-CD2 4.06Å; K280-L285 HydrophobicContact CB-CG 3.98Å; K280-L285 HydrophobicContact CD-CD2 3.72Å; K280-L285 HydrophobicContact CD-CG 4.36Å
281	T	94.3	Very high	94.1	Very high	31 Å²	31	36.2 Å²	36.2	19%	0.19	19%	0.186	C	C	.	.			trans	-75.6	168.7	165.9	76	0	0	0	0	110.4	E283 E284 L285 F515	T281-E283 VanDerWaalsContact C-N 3.3Å; T281-E283 VanDerWaalsContact CB-OE2 3.27Å; T281-E283 WeakPolarHBondContact CB-OE2 3.29Å; T281-E283 PolarHBondContact O-N 3.37Å; T281-E283 PolarHBondContact OG1-N 3.4Å; T281-E283 PolarHBondContact OG1-OE2 2.61Å; T281-E284 PolarHBondContact N-OE2 3.03Å; T281-E284 PolarHBondContact O-N 3.25Å; T281-L285 WeakPolarHBondContact O-CG 3.18Å; T281-F515 HydrophobicContact CG2-CE1 4.37Å; T281-F515 HydrophobicContact CG2-CZ 3.72Å
282	E	91.2	Very high	94.3	Very high	9 Å²	9	39 Å²	39	4%	0.042	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-63.8	-35.5	176.3	-173.1	176.6	128.9	0	0	112.8	L274 E284 L285 R330 R631	L274-E282 HydrophobicContact CD1-CB 3.93Å; L274-E282 HydrophobicContact CD1-CG 4.24Å; E282-E284 PolarHBondContact O-N 3.15Å; E282-L285 PolarHBondContact O-N 3.04Å; E282-L285 VanDerWaalsContact O-N 3.13Å; E282-R330 IonicContact OE1-CZ 2.73Å; E282-R330 IonicContact OE1-NH1 2.75Å; E282-R330 PolarHBondContact OE1-NH1 2.77Å; E282-R330 IonicContact OE1-NH2 3.54Å; E282-R330 IonicContact OE2-CZ 2.64Å; E282-R330 IonicContact OE2-NH1 3.62Å; E282-R330 PolarHBondContact OE2-NH1 3.37Å; E282-R330 IonicContact OE2-NH2 3.64Å; E282-R330 PolarHBondContact OE2-NH2 2.81Å; E282-R631 IonicContact OE1-CZ 3.72Å; E282-R631 IonicContact OE1-NE 3.73Å; E282-R631 IonicContact OE1-NH2 2.74Å; E282-R631 PolarHBondContact OE1-NH2 2.88Å
283	E	91.1	Very high	94.2	Very high	115 Å²	115	49.8 Å²	49.8	54%	0.537	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-68.1	-22.9	178.5	-58.4	79.6	-172.1	0	0	113	T281 L285 R631	T281-E283 VanDerWaalsContact C-N 3.3Å; T281-E283 VanDerWaalsContact CB-OE2 3.27Å; T281-E283 WeakPolarHBondContact CB-OE2 3.29Å; T281-E283 PolarHBondContact O-N 3.37Å; T281-E283 PolarHBondContact OG1-N 3.4Å; T281-E283 PolarHBondContact OG1-OE2 2.61Å; E283-L285 VanDerWaalsContact C-N 3.3Å; E283-R631 IonicContact OE1-NE 3.67Å
284	E	95.9	Very high	94.2	Very high	86 Å²	86	57.2 Å²	57.2	40%	0.402	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-85.5	-5.1	175.6	-65.7	178.1	140.7	0	0	113	K280 T281 E282 R538	K280-E284 WeakPolarHBondContact CA-OE2 3.37Å; K280-E284 HydrophobicContact CB-CB 4.03Å; K280-E284 HydrophobicContact CD-CB 4.34Å; K280-E284 HydrophobicContact CG-CB 4.4Å; T281-E284 PolarHBondContact N-OE2 3.03Å; T281-E284 PolarHBondContact O-N 3.25Å; E282-E284 PolarHBondContact O-N 3.15Å; E284-R538 VanDerWaalsContact CD-NH1 3.29Å; E284-R538 IonicContact OE1-CZ 3.7Å; E284-R538 IonicContact OE1-NH1 3.68Å; E284-R538 PolarHBondContact OE1-NH1 3.13Å; E284-R538 IonicContact OE1-NH2 2.72Å; E284-R538 PolarHBondContact OE1-NH2 3.44Å; E284-R538 IonicContact OE2-CZ 3.18Å; E284-R538 IonicContact OE2-NH1 3.72Å; E284-R538 PolarHBondContact OE2-NH1 3.15Å; E284-R538 VanDerWaalsContact OE2-NH1 3.16Å; E284-R538 IonicContact OE2-NH2 3.57Å; E284-R538 PolarHBondContact OE2-NH2 3.26Å
285	L	96.7	Very high	94.2	Very high	15 Å²	15	57.7 Å²	57.7	8%	0.079	28%	0.278	C	S	.	.	S	Bend	trans	-106.9	158.6	-178.2	-68.6	169.7	0	0	0	110.8	L274 T278 K280 T281 E282 E283 Y301 P302	L274-L285 HydrophobicContact CB-CD1 4.44Å; L274-L285 HydrophobicContact CD1-CD1 4.19Å; L274-L285 HydrophobicContact CD2-CD1 4.05Å; L274-L285 HydrophobicContact CG-CD1 4.48Å; T278-L285 HydrophobicContact CG2-CD1 4.3Å; K280-L285 HydrophobicContact CB-CD1 4.38Å; K280-L285 HydrophobicContact CB-CD2 4.06Å; K280-L285 HydrophobicContact CB-CG 3.98Å; K280-L285 HydrophobicContact CD-CD2 3.72Å; K280-L285 HydrophobicContact CD-CG 4.36Å; T281-L285 WeakPolarHBondContact O-CG 3.18Å; E282-L285 PolarHBondContact O-N 3.04Å; E282-L285 VanDerWaalsContact O-N 3.13Å; E283-L285 VanDerWaalsContact C-N 3.3Å; L285-Y301 HydrophobicContact CB-CD1 3.95Å; L285-Y301 HydrophobicContact CB-CE1 3.57Å; L285-Y301 HydrophobicContact CD1-CD1 4.22Å; L285-Y301 HydrophobicContact CD1-CD2 3.93Å; L285-Y301 HydrophobicContact CD1-CE1 4.23Å; L285-Y301 HydrophobicContact CD1-CE2 3.94Å; L285-Y301 HydrophobicContact CD1-CG 4.07Å; L285-Y301 HydrophobicContact CD2-CD1 4.17Å; L285-Y301 HydrophobicContact CD2-CG 4.35Å; L285-Y301 HydrophobicContact CG-CD1 4.35Å; L285-Y301 HydrophobicContact CG-CE1 4.36Å; L285-P302 VanDerWaalsContact CD2-CD 3.46Å; L285-P302 HydrophobicContact CD2-CG 4.09Å
286	P	96.4	Very high	94.3	Very high	63 Å²	63	60.1 Å²	60.1	41%	0.409	30%	0.296	S	S	.	.			trans	-56.4	151.3	175.7	-24.7	34.5	0	0	0	112.5	T288 V300 Y301	P286-T288 PolarHBondContact O-N 2.61Å; P286-V300 HydrophobicContact CB-CG2 3.68Å; P286-V300 HydrophobicContact CG-CB 4.38Å; P286-V300 HydrophobicContact CG-CG2 3.82Å; P286-Y301 WeakPolarHBondContact O-CE1 3.3Å; P286-Y301 PolarHBondContact O-OH 3.17Å
287	E	95.6	Very high	94.3	Very high	59 Å²	59	64.1 Å²	64.1	28%	0.276	31%	0.313	S	S	.	.			trans	-66.7	122.6	-180	-177.9	57.3	-99.3	0	0	111.5	R289 Q292 A295 S296	E287-R289 VanDerWaalsContact CD-NE 3.34Å; E287-R289 WeakPolarHBondContact OE1-CB 3.28Å; E287-R289 WeakPolarHBondContact OE1-CG 3.21Å; E287-R289 IonicContact OE1-CZ 2.72Å; E287-R289 PolarHBondContact OE1-N 3.14Å; E287-R289 IonicContact OE1-NE 2.92Å; E287-R289 PolarHBondContact OE1-NE 3.35Å; E287-R289 IonicContact OE2-CZ 2.79Å; E287-R289 VanDerWaalsContact OE2-CZ 3.27Å; E287-R289 IonicContact OE2-NE 3.32Å; E287-R289 PolarHBondContact OE2-NE 3.33Å; E287-R289 IonicContact OE2-NH2 2.71Å; E287-R289 PolarHBondContact OE2-NH2 3.07Å; E287-Q292 HydrophobicContact CG-CB 3.74Å; E287-Q292 HydrophobicContact CG-CG 3.83Å; E287-A295 HydrophobicContact CG-CB 4.05Å; E287-A295 CarbonylContact O-C 3.11Å; E287-A295 VanDerWaalsContact O-CA 3.26Å; E287-A295 WeakPolarHBondContact O-CA 3.32Å; E287-A295 WeakPolarHBondContact O-CB 3.31Å; E287-S296 PolarHBondContact O-N 2.9Å
288	T	95.8	Very high	94.3	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	31%	0.313	C	S	.	.			trans	-131	6.4	179.9	64.5	0	0	0	0	113.4	P286 S296 V298 V300 Y301 L331 K332	P286-T288 PolarHBondContact O-N 2.61Å; T288-S296 VanDerWaalsContact CA-O 3.29Å; T288-S296 WeakPolarHBondContact CA-O 3.42Å; T288-S296 WeakPolarHBondContact CB-O 3.45Å; T288-S296 WeakPolarHBondContact CG2-O 3.46Å; T288-V298 HydrophobicContact CG2-CG2 4.37Å; T288-V300 HydrophobicContact CG2-CG2 4.02Å; T288-Y301 HydrophobicContact CG2-CD1 4.31Å; T288-Y301 HydrophobicContact CG2-CE1 3.45Å; T288-Y301 VanDerWaalsContact CG2-CE1 3.45Å; T288-Y301 PolarHBondContact OG1-OH 2.99Å; T288-L331 CarbonylContact O-C 3.53Å; T288-L331 WeakPolarHBondContact O-CA 3.4Å; T288-K332 PolarHBondContact O-N 2.92Å
289	R	92.9	Very high	94.3	Very high	25 Å²	25	65.4 Å²	65.4	9%	0.094	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	-67.3	139.3	178.9	-66.8	176.3	-64.7	166.7	-2.3	111.6	E287 S291 Q292 A295 R330 L331 D629	E287-R289 VanDerWaalsContact CD-NE 3.34Å; E287-R289 WeakPolarHBondContact OE1-CB 3.28Å; E287-R289 WeakPolarHBondContact OE1-CG 3.21Å; E287-R289 IonicContact OE1-CZ 2.72Å; E287-R289 PolarHBondContact OE1-N 3.14Å; E287-R289 IonicContact OE1-NE 2.92Å; E287-R289 PolarHBondContact OE1-NE 3.35Å; E287-R289 IonicContact OE2-CZ 2.79Å; E287-R289 VanDerWaalsContact OE2-CZ 3.27Å; E287-R289 IonicContact OE2-NE 3.32Å; E287-R289 PolarHBondContact OE2-NE 3.33Å; E287-R289 IonicContact OE2-NH2 2.71Å; E287-R289 PolarHBondContact OE2-NH2 3.07Å; R289-S291 PolarHBondContact O-N 3.42Å; R289-Q292 HydrophobicContact CB-CG 4.04Å; R289-Q292 PolarHBondContact O-N 3.19Å; R289-Q292 VanDerWaalsContact O-N 3.11Å; R289-A295 VanDerWaalsContact O-CB 3.26Å; R289-A295 WeakPolarHBondContact O-CB 3.2Å; R289-R330 WeakPolarHBondContact CA-O 3.31Å; R289-L331 HydrophobicContact CB-CD2 4.37Å; R289-L331 HydrophobicContact CG-CD2 3.65Å; R289-D629 IonicContact NH1-OD2 3.57Å; R289-D629 PolarHBondContact NH1-OD2 3.44Å
290	R	91.2	Very high	94.3	Very high	136 Å²	136	68 Å²	68	51%	0.513	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-28.8	179.3	-58	178.7	85.3	-179.2	6.5	112.8	Q292 R330 L331 K332	R290-Q292 PolarHBondContact O-N 3.14Å; R290-R330 PolarHBondContact N-O 2.66Å; R290-L331 VanDerWaalsContact CD-O 3.31Å; R290-L331 WeakPolarHBondContact CD-O 3.4Å; R290-L331 VanDerWaalsContact CG-C 3.45Å; R290-L331 VanDerWaalsContact CG-O 3.27Å; R290-L331 WeakPolarHBondContact CG-O 3.25Å; R290-K332 HydrophobicContact CG-CG 4.24Å
291	S	89.3	Confident	94.4	Very high	74 Å²	74	64 Å²	64	52%	0.517	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-12.8	178.2	56.4	0	0	0	0	113.8	R289	R289-S291 PolarHBondContact O-N 3.42Å
292	Q	91.8	Very high	94.5	Very high	76 Å²	76	65.7 Å²	65.7	36%	0.355	33%	0.327	S	S	.	.	S	Bend	trans	-100.9	122.1	-176.3	-61.3	-63.1	-23.6	0	0	110.4	E287 R289 R290 N294 A295	E287-Q292 HydrophobicContact CG-CB 3.74Å; E287-Q292 HydrophobicContact CG-CG 3.83Å; R289-Q292 HydrophobicContact CB-CG 4.04Å; R289-Q292 PolarHBondContact O-N 3.19Å; R289-Q292 VanDerWaalsContact O-N 3.11Å; R290-Q292 PolarHBondContact O-N 3.14Å; Q292-N294 VanDerWaalsContact C-N 3.34Å; Q292-N294 PolarHBondContact O-N 2.92Å; Q292-A295 HydrophobicContact CB-CB 4.03Å; Q292-A295 WeakPolarHBondContact O-CB 3.27Å; Q292-A295 PolarHBondContact O-N 2.04Å
293	R	88.7	Confident	94.9	Very high	237 Å²	237	65.4 Å²	65.4	89%	0.894	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-42.5	-171.7	-70.7	-175.7	178.8	-177.3	-0.3	113.4
294	N	92.1	Very high	95.1	Very high	162 Å²	162	60.1 Å²	60.1	87%	0.866	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.1	24.7	-174.9	-63.3	-15.1	0	0	0	113.2	Q292	Q292-N294 VanDerWaalsContact C-N 3.34Å; Q292-N294 PolarHBondContact O-N 2.92Å
295	A	95.2	Very high	95.1	Very high	9 Å²	9	56 Å²	56	7%	0.074	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-71.7	147.8	179.4	0	0	0	0	0	112	E287 R289 Q292 K332	E287-A295 HydrophobicContact CG-CB 4.05Å; E287-A295 CarbonylContact O-C 3.11Å; E287-A295 VanDerWaalsContact O-CA 3.26Å; E287-A295 WeakPolarHBondContact O-CA 3.32Å; E287-A295 WeakPolarHBondContact O-CB 3.31Å; R289-A295 VanDerWaalsContact O-CB 3.26Å; R289-A295 WeakPolarHBondContact O-CB 3.2Å; Q292-A295 HydrophobicContact CB-CB 4.03Å; Q292-A295 WeakPolarHBondContact O-CB 3.27Å; Q292-A295 PolarHBondContact O-N 2.04Å; A295-K332 HydrophobicContact CB-CD 4.11Å; A295-K332 WeakPolarHBondContact O-CE 3.16Å; A295-K332 PolarHBondContact O-NZ 2.8Å
296	S	96.8	Very high	95.1	Very high	52 Å²	52	58.9 Å²	58.9	36%	0.364	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-85.3	166.7	172.3	-63.6	0	0	0	0	111.4	E287 T288 K332	E287-S296 PolarHBondContact O-N 2.9Å; T288-S296 VanDerWaalsContact CA-O 3.29Å; T288-S296 WeakPolarHBondContact CA-O 3.42Å; T288-S296 WeakPolarHBondContact CB-O 3.45Å; T288-S296 WeakPolarHBondContact CG2-O 3.46Å; S296-K332 WeakPolarHBondContact O-CD 3.39Å
297	F	97.1	Very high	94.9	Very high	88 Å²	88	58.8 Å²	58.8	39%	0.386	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-70.1	159.8	162.3	-66.2	-87	0	0	0	110.8	D299 V300 K332 N335	F297-D299 WeakPolarHBondContact CB-OD2 3.44Å; F297-D299 PolarHBondContact O-N 3.35Å; F297-D299 VanDerWaalsContact O-N 3.09Å; F297-V300 WeakPolarHBondContact O-CG2 3.39Å; F297-V300 PolarHBondContact O-N 3.44Å; F297-K332 HydrophobicContact CD1-CB 4.01Å; F297-K332 WeakPolarHBondContact CD1-O 3.49Å; F297-N335 HydrophobicContact CB-CB 4.02Å; F297-N335 HydrophobicContact CD1-CB 3.97Å; F297-N335 HydrophobicContact CD2-CB 3.85Å; F297-N335 HydrophobicContact CE1-CB 4.35Å; F297-N335 HydrophobicContact CE2-CB 4.24Å; F297-N335 HydrophobicContact CG-CB 3.7Å; F297-N335 HydrophobicContact CZ-CB 4.48Å
298	V	96.9	Very high	94.7	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-65.7	-13.7	-174.8	176.7	0	0	0	0	112.3	T288 V300 Y301 F303 Y327 L331 G333 F334	T288-V298 HydrophobicContact CG2-CG2 4.37Å; V298-V300 PolarHBondContact O-N 2.67Å; V298-Y301 HydrophobicContact CG1-CD2 3.64Å; V298-Y301 HydrophobicContact CG1-CE2 3.92Å; V298-Y301 HydrophobicContact CG1-CG 4.27Å; V298-Y301 WeakPolarHBondContact O-CB 3.11Å; V298-Y301 PolarHBondContact O-N 3.15Å; V298-F303 HydrophobicContact CG1-CE2 3.68Å; V298-F303 HydrophobicContact CG1-CZ 3.52Å; V298-Y327 HydrophobicContact CG1-CD1 4.26Å; V298-Y327 HydrophobicContact CG1-CG 4.28Å; V298-L331 HydrophobicContact CG2-CB 3.92Å; V298-L331 HydrophobicContact CG2-CD1 4.29Å; V298-G333 WeakPolarHBondContact CB-O 3.45Å; V298-G333 PolarHBondContact N-O 2.65Å; V298-F334 HydrophobicContact CB-CD1 4.36Å; V298-F334 HydrophobicContact CB-CE1 4.3Å; V298-F334 HydrophobicContact CG1-CD1 4.37Å; V298-F334 HydrophobicContact CG1-CE1 3.82Å; V298-F334 HydrophobicContact CG1-CE2 4.48Å; V298-F334 HydrophobicContact CG1-CZ 3.87Å
299	D	97.2	Very high	94.5	Very high	36 Å²	36	58.9 Å²	58.9	19%	0.193	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-50.7	-25.1	171.8	-51.9	-109.8	0	0	0	113.7	F297 Y301 K306 F334 N335 E336	F297-D299 WeakPolarHBondContact CB-OD2 3.44Å; F297-D299 PolarHBondContact O-N 3.35Å; F297-D299 VanDerWaalsContact O-N 3.09Å; D299-Y301 PolarHBondContact O-N 2.88Å; D299-K306 PolarHBondContact O-NZ 2.85Å; D299-F334 WeakPolarHBondContact OD2-CA 3.48Å; D299-N335 PolarHBondContact OD1-N 3.34Å; D299-N335 PolarHBondContact OD2-N 3.18Å; D299-E336 PolarHBondContact OD1-N 3.47Å
300	V	97.6	Very high	94.3	Very high	69 Å²	69	65.1 Å²	65.1	42%	0.418	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-74	-11	178.5	-59	0	0	0	0	113.9	P286 T288 F297 V298	P286-V300 HydrophobicContact CB-CG2 3.68Å; P286-V300 HydrophobicContact CG-CB 4.38Å; P286-V300 HydrophobicContact CG-CG2 3.82Å; T288-V300 HydrophobicContact CG2-CG2 4.02Å; F297-V300 WeakPolarHBondContact O-CG2 3.39Å; F297-V300 PolarHBondContact O-N 3.44Å; V298-V300 PolarHBondContact O-N 2.67Å
301	Y	98.2	Very high	94	Very high	1 Å²	1	60.6 Å²	60.6	0%	0.004	30%	0.303	C	S	.	.	S	Bend	trans	-75.3	143.9	-178.4	-68.3	-2	0	0	0	112.3	L274 L285 P286 T288 V298 D299 F303 K306	L274-Y301 HydrophobicContact CD1-CE2 4.12Å; L274-Y301 HydrophobicContact CD2-CD2 3.57Å; L274-Y301 HydrophobicContact CD2-CE2 3.64Å; L285-Y301 HydrophobicContact CB-CD1 3.95Å; L285-Y301 HydrophobicContact CB-CE1 3.57Å; L285-Y301 HydrophobicContact CD1-CD1 4.22Å; L285-Y301 HydrophobicContact CD1-CD2 3.93Å; L285-Y301 HydrophobicContact CD1-CE1 4.23Å; L285-Y301 HydrophobicContact CD1-CE2 3.94Å; L285-Y301 HydrophobicContact CD1-CG 4.07Å; L285-Y301 HydrophobicContact CD2-CD1 4.17Å; L285-Y301 HydrophobicContact CD2-CG 4.35Å; L285-Y301 HydrophobicContact CG-CD1 4.35Å; L285-Y301 HydrophobicContact CG-CE1 4.36Å; P286-Y301 WeakPolarHBondContact O-CE1 3.3Å; P286-Y301 PolarHBondContact O-OH 3.17Å; T288-Y301 HydrophobicContact CG2-CD1 4.31Å; T288-Y301 HydrophobicContact CG2-CE1 3.45Å; T288-Y301 VanDerWaalsContact CG2-CE1 3.45Å; T288-Y301 PolarHBondContact OG1-OH 2.99Å; V298-Y301 HydrophobicContact CG1-CD2 3.64Å; V298-Y301 HydrophobicContact CG1-CE2 3.92Å; V298-Y301 HydrophobicContact CG1-CG 4.27Å; V298-Y301 WeakPolarHBondContact O-CB 3.11Å; V298-Y301 PolarHBondContact O-N 3.15Å; D299-Y301 PolarHBondContact O-N 2.88Å; Y301-F303 VanDerWaalsContact CB-CE2 3.46Å; Y301-F303 HydrophobicContact CD2-CE1 4.34Å; Y301-F303 HydrophobicContact CD2-CE2 4.1Å; Y301-F303 AromaticContact CD2-CZ 3.69Å; Y301-F303 HydrophobicContact CD2-CZ 3.69Å; Y301-F303 HydrophobicContact CG-CE2 4.22Å; Y301-F303 HydrophobicContact CG-CZ 4.25Å; Y301-F303 PolarHBondContact O-N 2.84Å; Y301-K306 PolarHBondContact O-NZ 2.96Å
302	P	97.7	Very high	93.9	Very high	67 Å²	67	57.5 Å²	57.5	44%	0.435	28%	0.283	S	S	.	.			trans	-84.3	61.4	-179.7	36.6	-35.7	0	0	0	110.9	L285	L285-P302 VanDerWaalsContact CD2-CD 3.46Å; L285-P302 HydrophobicContact CD2-CG 4.09Å
303	F	98.2	Very high	93.9	Very high	3 Å²	3	54.5 Å²	54.5	1%	0.013	27%	0.268	C	S	.	.			trans	-61.8	137	179	-66.1	-73.8	0	0	0	112.2	L274 L277 T278 V298 Y301 W305 K306 Y327 F334	L274-F303 HydrophobicContact CD2-CE1 4.02Å; L274-F303 HydrophobicContact CD2-CZ 4.38Å; L277-F303 HydrophobicContact CB-CD1 3.89Å; L277-F303 HydrophobicContact CB-CE1 4.4Å; L277-F303 CarbonylContact O-C 3.56Å; L277-F303 WeakPolarHBondContact O-CA 3.23Å; T278-F303 HydrophobicContact CG2-CD1 3.75Å; T278-F303 HydrophobicContact CG2-CE1 4.05Å; T278-F303 HydrophobicContact CG2-CG 4.37Å; V298-F303 HydrophobicContact CG1-CE2 3.68Å; V298-F303 HydrophobicContact CG1-CZ 3.52Å; Y301-F303 VanDerWaalsContact CB-CE2 3.46Å; Y301-F303 HydrophobicContact CD2-CE1 4.34Å; Y301-F303 HydrophobicContact CD2-CE2 4.1Å; Y301-F303 AromaticContact CD2-CZ 3.69Å; Y301-F303 HydrophobicContact CD2-CZ 3.69Å; Y301-F303 HydrophobicContact CG-CE2 4.22Å; Y301-F303 HydrophobicContact CG-CZ 4.25Å; Y301-F303 PolarHBondContact O-N 2.84Å; F303-W305 HydrophobicContact CB-CD2 3.57Å; F303-W305 HydrophobicContact CB-CE3 4.12Å; F303-W305 HydrophobicContact CB-CG 4.06Å; F303-W305 HydrophobicContact CB-CH2 4.07Å; F303-W305 HydrophobicContact CB-CZ2 3.52Å; F303-W305 HydrophobicContact CB-CZ3 4.36Å; F303-W305 HydrophobicContact CD1-CE3 4.41Å; F303-W305 AromaticContact CD1-CH2 3.25Å; F303-W305 HydrophobicContact CD1-CH2 3.25Å; F303-W305 AromaticContact CD1-CZ2 3.38Å; F303-W305 HydrophobicContact CD1-CZ2 3.38Å; F303-W305 AromaticContact CD1-CZ3 3.83Å; F303-W305 HydrophobicContact CD1-CZ3 3.83Å; F303-W305 AromaticContact CD2-CE2 3.9Å; F303-W305 HydrophobicContact CD2-CH2 4.16Å; F303-W305 AromaticContact CD2-CZ2 3.42Å; F303-W305 HydrophobicContact CD2-CZ2 3.42Å; F303-W305 VanDerWaalsContact CD2-CZ2 3.42Å; F303-W305 AromaticContact CE1-CH2 3.52Å; F303-W305 HydrophobicContact CE1-CH2 3.52Å; F303-W305 AromaticContact CE1-CZ2 3.81Å; F303-W305 HydrophobicContact CE1-CZ2 3.81Å; F303-W305 HydrophobicContact CE1-CZ3 4.37Å; F303-W305 HydrophobicContact CE2-CH2 4.37Å; F303-W305 AromaticContact CE2-CZ2 3.85Å; F303-W305 HydrophobicContact CE2-CZ2 3.85Å; F303-W305 HydrophobicContact CG-CD2 4.18Å; F303-W305 AromaticContact CG-CE2 3.49Å; F303-W305 VanDerWaalsContact CG-CE2 3.49Å; F303-W305 AromaticContact CG-CH2 3.59Å; F303-W305 HydrophobicContact CG-CH2 3.59Å; F303-W305 AromaticContact CG-CZ2 3.15Å; F303-W305 HydrophobicContact CG-CZ2 3.15Å; F303-W305 HydrophobicContact CG-CZ3 4.26Å; F303-W305 HydrophobicContact CZ-CH2 4.07Å; F303-W305 HydrophobicContact CZ-CZ2 4.02Å; F303-W305 PolarHBondContact O-N 2.59Å; F303-K306 HydrophobicContact CB-CG 4.43Å; F303-K306 VanDerWaalsContact O-CB 3.3Å; F303-K306 WeakPolarHBondContact O-CB 3.49Å; F303-K306 PolarHBondContact O-N 3.32Å; F303-Y327 HydrophobicContact CE1-CE1 4.33Å; F303-Y327 HydrophobicContact CE1-CE2 4.41Å; F303-Y327 AromaticContact CE1-CZ 4Å; F303-Y327 HydrophobicContact CZ-CE1 4.39Å; F303-F334 HydrophobicContact CD2-CE1 4.13Å; F303-F334 AromaticContact CE2-CE1 3.42Å; F303-F334 HydrophobicContact CE2-CE1 3.42Å; F303-F334 VanDerWaalsContact CE2-CE1 3.42Å; F303-F334 AromaticContact CE2-CZ 3.7Å; F303-F334 HydrophobicContact CE2-CZ 3.7Å; F303-F334 AromaticContact CZ-CE1 3.98Å; F303-F334 HydrophobicContact CZ-CE1 3.98Å; F303-F334 AromaticContact CZ-CZ 3.77Å; F303-F334 HydrophobicContact CZ-CZ 3.77Å
304	I	96.5	Very high	94.1	Very high	5 Å²	5	43.2 Å²	43.2	3%	0.026	23%	0.226	C	C	.	.	H	α-helix	trans	-60.6	-30	-176.5	-168.9	60	0	0	0	112.3	L277 K306 E307 L308 F389 V521 K522	L277-I304 HydrophobicContact CD2-CG2 4.09Å; L277-I304 WeakPolarHBondContact O-CB 3.28Å; L277-I304 PolarHBondContact O-N 2.82Å; I304-K306 PolarHBondContact O-N 2.77Å; I304-E307 PolarHBondContact O-N 2.76Å; I304-L308 HydrophobicContact CG1-CD1 4.17Å; I304-L308 HydrophobicContact CG1-CG 4.38Å; I304-L308 WeakPolarHBondContact O-CG 3.28Å; I304-L308 PolarHBondContact O-N 3.32Å; I304-F389 HydrophobicContact CG2-CE2 4.3Å; I304-F389 HydrophobicContact CG2-CZ 4.13Å; I304-V521 HydrophobicContact CD1-CG1 4.43Å; I304-V521 HydrophobicContact CG1-CG1 3.76Å; I304-K522 HydrophobicContact CD1-CD 4.11Å
305	W	95.9	Very high	94.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-64.2	-26.2	175.6	58.7	72.7	0	0	0	112.9	L277 F303 L308 K309 T315 Y317 F334 P338 T339 F389	L277-W305 HydrophobicContact CB-CZ3 4.3Å; L277-W305 HydrophobicContact CD1-CH2 4.05Å; L277-W305 HydrophobicContact CD1-CZ3 3.51Å; L277-W305 HydrophobicContact CD2-CE3 3.73Å; L277-W305 HydrophobicContact CD2-CZ3 3.53Å; L277-W305 HydrophobicContact CG-CZ3 3.96Å; F303-W305 HydrophobicContact CB-CD2 3.57Å; F303-W305 HydrophobicContact CB-CE3 4.12Å; F303-W305 HydrophobicContact CB-CG 4.06Å; F303-W305 HydrophobicContact CB-CH2 4.07Å; F303-W305 HydrophobicContact CB-CZ2 3.52Å; F303-W305 HydrophobicContact CB-CZ3 4.36Å; F303-W305 HydrophobicContact CD1-CE3 4.41Å; F303-W305 AromaticContact CD1-CH2 3.25Å; F303-W305 HydrophobicContact CD1-CH2 3.25Å; F303-W305 AromaticContact CD1-CZ2 3.38Å; F303-W305 HydrophobicContact CD1-CZ2 3.38Å; F303-W305 AromaticContact CD1-CZ3 3.83Å; F303-W305 HydrophobicContact CD1-CZ3 3.83Å; F303-W305 AromaticContact CD2-CE2 3.9Å; F303-W305 HydrophobicContact CD2-CH2 4.16Å; F303-W305 AromaticContact CD2-CZ2 3.42Å; F303-W305 HydrophobicContact CD2-CZ2 3.42Å; F303-W305 VanDerWaalsContact CD2-CZ2 3.42Å; F303-W305 AromaticContact CE1-CH2 3.52Å; F303-W305 HydrophobicContact CE1-CH2 3.52Å; F303-W305 AromaticContact CE1-CZ2 3.81Å; F303-W305 HydrophobicContact CE1-CZ2 3.81Å; F303-W305 HydrophobicContact CE1-CZ3 4.37Å; F303-W305 HydrophobicContact CE2-CH2 4.37Å; F303-W305 AromaticContact CE2-CZ2 3.85Å; F303-W305 HydrophobicContact CE2-CZ2 3.85Å; F303-W305 HydrophobicContact CG-CD2 4.18Å; F303-W305 AromaticContact CG-CE2 3.49Å; F303-W305 VanDerWaalsContact CG-CE2 3.49Å; F303-W305 AromaticContact CG-CH2 3.59Å; F303-W305 HydrophobicContact CG-CH2 3.59Å; F303-W305 AromaticContact CG-CZ2 3.15Å; F303-W305 HydrophobicContact CG-CZ2 3.15Å; F303-W305 HydrophobicContact CG-CZ3 4.26Å; F303-W305 HydrophobicContact CZ-CH2 4.07Å; F303-W305 HydrophobicContact CZ-CZ2 4.02Å; F303-W305 PolarHBondContact O-N 2.59Å; W305-L308 PolarHBondContact O-N 2.8Å; W305-K309 WeakPolarHBondContact O-CB 3.3Å; W305-K309 PolarHBondContact O-N 3.19Å; W305-T315 HydrophobicContact CB-CG2 4.23Å; W305-Y317 HydrophobicContact CH2-CD1 4.44Å; W305-F334 HydrophobicContact CH2-CZ 4.4Å; W305-F334 HydrophobicContact CZ2-CE1 4.27Å; W305-F334 AromaticContact CZ2-CZ 3.99Å; W305-F334 HydrophobicContact CZ2-CZ 3.99Å; W305-P338 VanDerWaalsContact CD1-O 3.28Å; W305-P338 HydrophobicContact CZ2-CB 4.15Å; W305-P338 PolarHBondContact NE1-O 3.38Å; W305-P338 VanDerWaalsContact NE1-O 3.09Å; W305-T339 HydrophobicContact CB-CG2 4.32Å; W305-T339 HydrophobicContact CD2-CG2 4.12Å; W305-T339 HydrophobicContact CG-CG2 3.91Å; W305-F389 HydrophobicContact CB-CD1 3.85Å; W305-F389 HydrophobicContact CB-CE1 3.75Å; W305-F389 HydrophobicContact CE3-CE1 4.02Å; W305-F389 HydrophobicContact CE3-CZ 4.47Å
306	K	95.5	Very high	94.4	Very high	75 Å²	75	35.1 Å²	35.1	33%	0.326	18%	0.181	S	C	.	.	H	α-helix	trans	-65.7	-43.7	175.5	-65.2	178.4	173.8	178.5	0	111.2	D299 Y301 F303 I304 Q310	D299-K306 PolarHBondContact O-NZ 2.85Å; Y301-K306 PolarHBondContact O-NZ 2.96Å; F303-K306 HydrophobicContact CB-CG 4.43Å; F303-K306 VanDerWaalsContact O-CB 3.3Å; F303-K306 WeakPolarHBondContact O-CB 3.49Å; F303-K306 PolarHBondContact O-N 3.32Å; I304-K306 PolarHBondContact O-N 2.77Å; K306-Q310 WeakPolarHBondContact O-CG 3.3Å; K306-Q310 PolarHBondContact O-N 2.85Å
307	E	92.2	Very high	94.5	Very high	61 Å²	61	32.7 Å²	32.7	29%	0.285	16%	0.164	S	C	.	.	H	α-helix	trans	-69	-44.6	175.9	-175	177.2	-160.6	0	0	111.1	I304 K309 Q310 L311 K522 L525	I304-E307 PolarHBondContact O-N 2.76Å; E307-K309 VanDerWaalsContact C-N 3.28Å; E307-K309 PolarHBondContact O-N 2.8Å; E307-Q310 WeakPolarHBondContact O-CB 3.38Å; E307-Q310 PolarHBondContact O-N 3.38Å; E307-Q310 VanDerWaalsContact O-N 3.13Å; E307-L311 HydrophobicContact CG-CD1 4.43Å; E307-L311 WeakPolarHBondContact O-CG 3.34Å; E307-L311 PolarHBondContact O-N 3.49Å; E307-L311 VanDerWaalsContact O-N 3.1Å; E307-K522 IonicContact OE1-NZ 3.4Å; E307-K522 PolarHBondContact OE1-NZ 2.85Å; E307-K522 IonicContact OE2-NZ 2.76Å; E307-K522 PolarHBondContact OE2-NZ 3.1Å; E307-L525 HydrophobicContact CG-CD1 4.08Å; E307-L525 VanDerWaalsContact OE1-CD1 3.24Å; E307-L525 WeakPolarHBondContact OE1-CD1 3.37Å
308	L	91.7	Very high	94.5	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-59.8	-39.6	176.1	-68	170.8	0	0	0	111.9	I226 I304 W305 Q310 L311 G312 Y313 F389 V521 L525	I226-L308 HydrophobicContact CD1-CD1 4.31Å; I226-L308 HydrophobicContact CD1-CD2 4.38Å; I304-L308 HydrophobicContact CG1-CD1 4.17Å; I304-L308 HydrophobicContact CG1-CG 4.38Å; I304-L308 WeakPolarHBondContact O-CG 3.28Å; I304-L308 PolarHBondContact O-N 3.32Å; W305-L308 PolarHBondContact O-N 2.8Å; L308-Q310 VanDerWaalsContact C-N 3.34Å; L308-Q310 PolarHBondContact O-N 2.86Å; L308-L311 CarbonylContact O-C 3.58Å; L308-L311 WeakPolarHBondContact O-CA 3.1Å; L308-L311 WeakPolarHBondContact O-CB 2.9Å; L308-L311 PolarHBondContact O-N 2.78Å; L308-G312 PolarHBondContact O-N 2.69Å; L308-Y313 HydrophobicContact CB-CD2 4.14Å; L308-Y313 HydrophobicContact CB-CG 3.99Å; L308-Y313 HydrophobicContact CD2-CD2 4.04Å; L308-Y313 HydrophobicContact CD2-CE1 4.49Å; L308-Y313 HydrophobicContact CD2-CE2 3.93Å; L308-Y313 HydrophobicContact CD2-CG 4.38Å; L308-Y313 WeakPolarHBondContact O-CB 3.06Å; L308-Y313 WeakPolarHBondContact O-CD2 3.15Å; L308-Y313 PolarHBondContact O-N 3.27Å; L308-F389 HydrophobicContact CD1-CB 4.03Å; L308-F389 HydrophobicContact CD1-CD2 3.27Å; L308-F389 HydrophobicContact CD1-CE2 3.82Å; L308-F389 HydrophobicContact CD1-CG 3.68Å; L308-V521 HydrophobicContact CD1-CG1 4.38Å; L308-L525 HydrophobicContact CD2-CD2 3.88Å
309	K	91.4	Very high	94.3	Very high	59 Å²	59	28.9 Å²	28.9	26%	0.257	15%	0.147	S	C	.	.	H	α-helix	trans	-59.8	-42.3	174.9	-172.4	177.2	-170.4	170.4	0	111.9	R213 W305 E307 L311 G312 T315 D340	R213-K309 VanDerWaalsContact NH2-CE 3.35Å; W305-K309 WeakPolarHBondContact O-CB 3.3Å; W305-K309 PolarHBondContact O-N 3.19Å; E307-K309 VanDerWaalsContact C-N 3.28Å; E307-K309 PolarHBondContact O-N 2.8Å; K309-L311 PolarHBondContact O-N 3.23Å; K309-G312 PolarHBondContact O-N 3.03Å; K309-G312 VanDerWaalsContact O-N 3.07Å; K309-T315 HydrophobicContact CB-CG2 3.98Å; K309-D340 WeakPolarHBondContact CE-OD1 3.46Å; K309-D340 IonicContact NZ-OD1 3.98Å; K309-D340 PolarHBondContact NZ-OD1 3.24Å
310	Q	88.9	Confident	94.1	Very high	156 Å²	156	27.2 Å²	27.2	73%	0.729	14%	0.139	S	C	*	.	H	α-helix	trans	-64.7	-28.2	174.4	-69.8	172.1	-1.8	0	0	112.8	K306 E307 L308 G312	K306-Q310 WeakPolarHBondContact O-CG 3.3Å; K306-Q310 PolarHBondContact O-N 2.85Å; E307-Q310 WeakPolarHBondContact O-CB 3.38Å; E307-Q310 PolarHBondContact O-N 3.38Å; E307-Q310 VanDerWaalsContact O-N 3.13Å; L308-Q310 VanDerWaalsContact C-N 3.34Å; L308-Q310 PolarHBondContact O-N 2.86Å; Q310-G312 PolarHBondContact O-N 2.86Å
311	L	85.9	Confident	93.7	Very high	41 Å²	41	24.1 Å²	24.1	22%	0.215	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	12.1	174.8	-59.8	175.2	0	0	0	113	V217 E307 L308 K309 L525	V217-L311 HydrophobicContact CB-CD2 4.4Å; V217-L311 HydrophobicContact CG1-CD2 4.24Å; V217-L311 HydrophobicContact CG2-CB 3.85Å; V217-L311 HydrophobicContact CG2-CD2 3.33Å; V217-L311 HydrophobicContact CG2-CG 4.1Å; E307-L311 HydrophobicContact CG-CD1 4.43Å; E307-L311 WeakPolarHBondContact O-CG 3.34Å; E307-L311 PolarHBondContact O-N 3.49Å; E307-L311 VanDerWaalsContact O-N 3.1Å; L308-L311 CarbonylContact O-C 3.58Å; L308-L311 WeakPolarHBondContact O-CA 3.1Å; L308-L311 WeakPolarHBondContact O-CB 2.9Å; L308-L311 PolarHBondContact O-N 2.78Å; K309-L311 PolarHBondContact O-N 3.23Å; L311-L525 HydrophobicContact CD1-CD1 4.15Å; L311-L525 HydrophobicContact CD1-CD2 3.4Å; L311-L525 VanDerWaalsContact CD1-CD2 3.4Å; L311-L525 HydrophobicContact CD1-CG 4.26Å
312	G	87.6	Confident	93.3	Very high	9 Å²	9	24.3 Å²	24.3	9%	0.093	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.6	14.4	174.4	0	0	0	0	0	114.8	L308 K309 Q310 Q386	L308-G312 PolarHBondContact O-N 2.69Å; K309-G312 PolarHBondContact O-N 3.03Å; K309-G312 VanDerWaalsContact O-N 3.07Å; Q310-G312 PolarHBondContact O-N 2.86Å; G312-Q386 PolarHBondContact O-NE2 3.02Å
313	Y	90.6	Very high	92.7	Very high	14 Å²	14	24.2 Å²	24.2	6%	0.055	12%	0.119	C	C	.	.			trans	-71	139.5	171.3	-80.6	-115.1	0	0	0	111	L224 I226 L308 R387 F389	L224-Y313 WeakPolarHBondContact O-CE1 2.98Å; L224-Y313 PolarHBondContact O-OH 2.84Å; I226-Y313 HydrophobicContact CD1-CE1 4.17Å; I226-Y313 HydrophobicContact CG1-CE1 4.35Å; L308-Y313 HydrophobicContact CB-CD2 4.14Å; L308-Y313 HydrophobicContact CB-CG 3.99Å; L308-Y313 HydrophobicContact CD2-CD2 4.04Å; L308-Y313 HydrophobicContact CD2-CE1 4.49Å; L308-Y313 HydrophobicContact CD2-CE2 3.93Å; L308-Y313 HydrophobicContact CD2-CG 4.38Å; L308-Y313 WeakPolarHBondContact O-CB 3.06Å; L308-Y313 WeakPolarHBondContact O-CD2 3.15Å; L308-Y313 PolarHBondContact O-N 3.27Å; Y313-R387 WeakPolarHBondContact CA-O 3.3Å; Y313-R387 HydrophobicContact CD1-CB 3.74Å; Y313-R387 HydrophobicContact CD2-CB 3.91Å; Y313-R387 HydrophobicContact CE1-CB 3.63Å; Y313-R387 HydrophobicContact CE2-CB 3.81Å; Y313-R387 VanDerWaalsContact CE2-CD 3.43Å; Y313-R387 HydrophobicContact CE2-CG 4.27Å; Y313-R387 HydrophobicContact CG-CB 3.87Å; Y313-F389 HydrophobicContact CD1-CB 3.89Å
314	A	93.5	Very high	92.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	133.7	158.3	0	0	0	0	0	108	M210 F378 Y382 Q386 R387 F389	M210-A314 HydrophobicContact CE-CB 4.06Å; M210-A314 HydrophobicContact SD-CB 4.21Å; A314-F378 HydrophobicContact CB-CE2 3.83Å; A314-F378 HydrophobicContact CB-CZ 3.77Å; A314-Y382 HydrophobicContact CB-CD2 4.38Å; A314-Y382 HydrophobicContact CB-CE1 4.38Å; A314-Y382 HydrophobicContact CB-CE2 4.24Å; A314-Q386 HydrophobicContact CB-CG 4.35Å; A314-R387 PolarHBondContact N-O 3.38Å; A314-F389 PolarHBondContact O-N 2.84Å
315	T	96.2	Very high	91.8	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	135.7	-172	59.8	0	0	0	0	112.6	W305 K309 D340 H341 F389	W305-T315 HydrophobicContact CB-CG2 4.23Å; K309-T315 HydrophobicContact CB-CG2 3.98Å; T315-D340 PolarHBondContact N-OD2 2.98Å; T315-D340 WeakPolarHBondContact O-CB 3.47Å; T315-D340 PolarHBondContact O-N 3.49Å; T315-D340 PolarHBondContact OG1-N 3.48Å; T315-D340 PolarHBondContact OG1-OD2 3.42Å; T315-H341 PolarHBondContact O-N 3.41Å; T315-F389 CarbonylContact C-O 3.54Å; T315-F389 WeakPolarHBondContact CA-O 3.49Å; T315-F389 HydrophobicContact CG2-CB 4.43Å
316	L	97.8	Very high	91.5	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	132.6	178.2	-178.5	154.4	0	0	0	110.4	I204 A318 H341 Y374 V375 F378 F389 A390 F391	I204-L316 HydrophobicContact CD1-CD1 4Å; L316-A318 HydrophobicContact CD2-CB 3.82Å; L316-H341 WeakPolarHBondContact CA-O 3.41Å; L316-H341 HydrophobicContact CB-CB 4.03Å; L316-H341 HydrophobicContact CD1-CB 3.98Å; L316-H341 HydrophobicContact CG-CB 3.92Å; L316-Y374 HydrophobicContact CD1-CD1 3.91Å; L316-Y374 HydrophobicContact CD1-CE1 3.65Å; L316-Y374 HydrophobicContact CG-CE1 4.1Å; L316-V375 HydrophobicContact CD2-CG2 4.02Å; L316-F378 HydrophobicContact CB-CD1 4.12Å; L316-F378 HydrophobicContact CB-CD2 4.48Å; L316-F378 HydrophobicContact CB-CE1 3.96Å; L316-F378 HydrophobicContact CB-CE2 4.36Å; L316-F378 HydrophobicContact CB-CG 4.38Å; L316-F378 HydrophobicContact CB-CZ 4.1Å; L316-F378 HydrophobicContact CD1-CB 3.64Å; L316-F378 HydrophobicContact CD1-CD1 3.89Å; L316-F378 HydrophobicContact CD1-CD2 4.05Å; L316-F378 HydrophobicContact CD1-CG 3.6Å; L316-F389 PolarHBondContact N-O 2.8Å; L316-A390 HydrophobicContact CB-CB 4.37Å; L316-A390 HydrophobicContact CD2-CB 4.27Å; L316-F391 PolarHBondContact O-N 2.98Å
317	Y	97.7	Very high	91.4	Very high	1 Å²	1	22.3 Å²	22.3	0%	0.004	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	125.8	167.5	177.3	-153.6	0	0	0	108.8	W305 E319 Y327 F334 P338 T339 H341 Y342 L343 F391	W305-Y317 HydrophobicContact CH2-CD1 4.44Å; Y317-E319 HydrophobicContact CE2-CB 3.96Å; Y317-E319 PolarHBondContact OH-OE2 3.31Å; Y317-Y327 AromaticContact CE1-CD2 3.9Å; Y317-Y327 HydrophobicContact CE1-CD2 3.9Å; Y317-Y327 AromaticContact CE1-CE2 3.97Å; Y317-Y327 HydrophobicContact CE1-CE2 3.97Å; Y317-Y327 AromaticContact CZ-CD2 3.92Å; Y317-Y327 AromaticContact CZ-CE2 3.78Å; Y317-Y327 WeakPolarHBondContact OH-CD2 3.39Å; Y317-Y327 WeakPolarHBondContact OH-CE2 3.26Å; Y317-F334 HydrophobicContact CE1-CE2 4.03Å; Y317-P338 HydrophobicContact CD1-CG 4.08Å; Y317-T339 WeakPolarHBondContact CB-OG1 3.41Å; Y317-T339 PolarHBondContact N-OG1 3.49Å; Y317-H341 PolarHBondContact N-O 3.17Å; Y317-Y342 AromaticContact CD1-CD2 3.86Å; Y317-Y342 HydrophobicContact CD1-CD2 3.86Å; Y317-Y342 AromaticContact CD1-CE2 3.37Å; Y317-Y342 HydrophobicContact CD1-CE2 3.37Å; Y317-Y342 AromaticContact CE1-CE2 3.73Å; Y317-Y342 HydrophobicContact CE1-CE2 3.73Å; Y317-Y342 HydrophobicContact CG-CD2 4.18Å; Y317-Y342 HydrophobicContact CG-CE2 4.02Å; Y317-Y342 WeakPolarHBondContact O-CA 3.32Å; Y317-Y342 WeakPolarHBondContact O-CD2 3.44Å; Y317-L343 PolarHBondContact O-N 2.77Å; Y317-L343 VanDerWaalsContact O-N 3.13Å; Y317-F391 CarbonylContact C-O 3.33Å; Y317-F391 WeakPolarHBondContact CA-O 3.3Å; Y317-F391 AromaticContact CD2-CD1 3.97Å; Y317-F391 HydrophobicContact CD2-CD1 3.97Å; Y317-F391 WeakPolarHBondContact CD2-O 3.43Å; Y317-F391 HydrophobicContact CE2-CD1 4.07Å
318	A	96.8	Very high	91.3	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	124.9	179.6	0	0	0	0	0	109.7	L316 L343 H371 Y374 F391 Q392 I393	L316-A318 HydrophobicContact CD2-CB 3.82Å; A318-L343 HydrophobicContact CB-CB 3.65Å; A318-L343 HydrophobicContact CB-CD2 3.82Å; A318-L343 HydrophobicContact CB-CG 4.4Å; A318-H371 WeakPolarHBondContact CB-NE2 3.29Å; A318-Y374 HydrophobicContact CB-CD1 4.49Å; A318-F391 PolarHBondContact N-O 2.91Å; A318-Q392 HydrophobicContact CB-CB 4.45Å; A318-Q392 HydrophobicContact CB-CG 4.25Å; A318-Q392 CarbonylContact O-C 3.58Å; A318-Q392 VanDerWaalsContact O-CA 3.3Å; A318-Q392 WeakPolarHBondContact O-CA 3.46Å; A318-I393 PolarHBondContact O-N 3.41Å
319	E	94	Very high	91.2	Very high	8 Å²	8	23.8 Å²	23.8	4%	0.037	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	133.9	175	-175.1	178.4	-167.2	0	0	107.4	Y317 T326 I393 V395	Y317-E319 HydrophobicContact CE2-CB 3.96Å; Y317-E319 PolarHBondContact OH-OE2 3.31Å; E319-T326 VanDerWaalsContact OE1-CB 3.3Å; E319-T326 WeakPolarHBondContact OE1-CB 3.49Å; E319-T326 PolarHBondContact OE1-N 3.31Å; E319-T326 PolarHBondContact OE1-OG1 3.34Å; E319-T326 PolarHBondContact OE2-N 2.53Å; E319-I393 WeakPolarHBondContact CA-O 2.93Å; E319-I393 HydrophobicContact CG-CB 4.31Å; E319-V395 HydrophobicContact CG-CG2 4.07Å
320	D	91.5	Very high	91.1	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.011	11%	0.11	C	C	.	.			trans	-91.2	178.9	176.8	60.4	22.6	0	0	0	111.8	Y347 H371 H394 V395 G396	D320-Y347 HydrophobicContact CB-CD1 4.12Å; D320-Y347 HydrophobicContact CB-CD2 4.12Å; D320-Y347 HydrophobicContact CB-CE1 3.57Å; D320-Y347 HydrophobicContact CB-CE2 3.6Å; D320-Y347 HydrophobicContact CB-CG 4.38Å; D320-H371 IonicContact OD2-CE1 2.69Å; D320-H371 IonicContact OD2-ND1 3.65Å; D320-H371 PolarHBondContact OD2-ND1 3.01Å; D320-H394 IonicContact OD2-ND1 3.27Å; D320-V395 VanDerWaalsContact OD1-CA 3.32Å; D320-V395 WeakPolarHBondContact OD1-CA 3.44Å; D320-V395 VanDerWaalsContact OD1-CB 3.25Å; D320-V395 WeakPolarHBondContact OD1-CB 3.34Å; D320-V395 PolarHBondContact OD1-N 3.1Å; D320-G396 PolarHBondContact OD1-N 3.26Å
321	V	90.3	Very high	91.2	Very high	3 Å²	3	15 Å²	15	2%	0.018	8%	0.075	C	C	.	.			trans	51.6	68.9	179.4	-159.6	0	0	0	0	114	T323 I324 G325 Y357 V395	V321-T323 WeakPolarHBondContact CG1-OG1 3.36Å; V321-T323 PolarHBondContact O-N 2.9Å; V321-I324 HydrophobicContact CB-CD1 4.47Å; V321-I324 HydrophobicContact CB-CG1 4.02Å; V321-I324 HydrophobicContact CG1-CD1 4.01Å; V321-I324 HydrophobicContact CG1-CG1 3.52Å; V321-I324 PolarHBondContact O-N 2.82Å; V321-G325 PolarHBondContact O-N 2.8Å; V321-Y357 HydrophobicContact CG1-CE1 4.19Å; V321-Y357 HydrophobicContact CG1-CE2 3.9Å; V321-V395 HydrophobicContact CB-CB 4.42Å; V321-V395 HydrophobicContact CG2-CB 4.25Å
322	P	89.7	Confident	91.7	Very high	5 Å²	5	15.5 Å²	15.5	3%	0.032	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	-63.5	-18	-170.6	21.3	-33.5	0	0	0	115.7	I324 T328 R344 L348 Q351	P322-I324 VanDerWaalsContact C-N 3.3Å; P322-I324 PolarHBondContact O-N 3.49Å; P322-T328 PolarHBondContact O-OG1 3.24Å; P322-R344 VanDerWaalsContact CA-NH1 3.3Å; P322-R344 HydrophobicContact CB-CG 4.33Å; P322-R344 PolarHBondContact O-NH1 3.38Å; P322-R344 PolarHBondContact O-NH2 3.28Å; P322-L348 HydrophobicContact CB-CD2 3.62Å; P322-L348 HydrophobicContact CB-CG 3.89Å; P322-L348 HydrophobicContact CG-CD2 3.9Å; P322-L348 HydrophobicContact CG-CG 4.12Å; P322-Q351 HydrophobicContact CG-CG 4.32Å; P322-Q351 VanDerWaalsContact CG-OE1 3.31Å
323	T	85.8	Confident	92	Very high	65 Å²	65	15 Å²	15	40%	0.399	7%	0.071	S	C	.	.	G	3₁₀ helix	trans	-63.2	-29.5	173	37.7	0	0	0	0	113.8	V321 Y329 Y357	V321-T323 WeakPolarHBondContact CG1-OG1 3.36Å; V321-T323 PolarHBondContact O-N 2.9Å; T323-Y329 WeakPolarHBondContact O-CD2 3.32Å; T323-Y357 HydrophobicContact CG2-CD2 4.18Å; T323-Y357 WeakPolarHBondContact OG1-CD2 3.46Å; T323-Y357 WeakPolarHBondContact OG1-CE2 3.34Å
324	I	85.7	Confident	92.4	Very high	35 Å²	35	14.5 Å²	14.5	18%	0.179	7%	0.069	C	C	.	.	G	3₁₀ helix	trans	-124.2	22.3	179.1	54	158.9	0	0	0	112.6	V321 P322 Y329 Y357 V395 H399	V321-I324 HydrophobicContact CB-CD1 4.47Å; V321-I324 HydrophobicContact CB-CG1 4.02Å; V321-I324 HydrophobicContact CG1-CD1 4.01Å; V321-I324 HydrophobicContact CG1-CG1 3.52Å; V321-I324 PolarHBondContact O-N 2.82Å; P322-I324 VanDerWaalsContact C-N 3.3Å; P322-I324 PolarHBondContact O-N 3.49Å; I324-Y329 HydrophobicContact CG2-CD2 4.24Å; I324-Y329 HydrophobicContact CG2-CE2 4.35Å; I324-Y357 WeakPolarHBondContact CD1-OH 3.42Å; I324-Y357 WeakPolarHBondContact CG1-OH 3.35Å; I324-Y357 HydrophobicContact CG2-CE2 4.35Å; I324-V395 HydrophobicContact CD1-CG1 3.52Å; I324-V395 HydrophobicContact CG1-CG1 4.24Å; I324-H399 HydrophobicContact CD1-CB 4.3Å
325	G	88.5	Confident	92.5	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.089	C	C	.	.			trans	-59	145	-178.9	0	0	0	0	0	113.8	V321 Y327 T328 Y329	V321-G325 PolarHBondContact O-N 2.8Å; G325-Y327 VanDerWaalsContact C-N 3.3Å; G325-Y327 PolarHBondContact O-N 3.33Å; G325-T328 PolarHBondContact O-N 3.39Å; G325-T328 VanDerWaalsContact O-N 3.08Å; G325-T328 PolarHBondContact O-OG1 3.47Å; G325-Y329 WeakPolarHBondContact O-CB 3.38Å; G325-Y329 PolarHBondContact O-N 3.01Å
326	T	89.8	Confident	92.4	Very high	6 Å²	6	24.9 Å²	24.9	4%	0.037	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.1	-47.8	-172.7	-62.6	0	0	0	0	112.5	T269 P270 L273 E319	T269-T326 HydrophobicContact CG2-CG2 4.01Å; T269-T326 WeakPolarHBondContact CG2-OG1 3.41Å; P270-T326 HydrophobicContact CB-CG2 4.42Å; P270-T326 HydrophobicContact CG-CG2 3.97Å; P270-T326 WeakPolarHBondContact CG-O 3.1Å; L273-T326 HydrophobicContact CD1-CG2 4.2Å; E319-T326 VanDerWaalsContact OE1-CB 3.3Å; E319-T326 WeakPolarHBondContact OE1-CB 3.49Å; E319-T326 PolarHBondContact OE1-N 3.31Å; E319-T326 PolarHBondContact OE1-OG1 3.34Å; E319-T326 PolarHBondContact OE2-N 2.53Å
327	Y	93.1	Very high	92.3	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.008	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	3.3	-175	-54	-58.9	0	0	0	114.2	L274 L277 V298 F303 Y317 G325 L331 G333 F334	L274-Y327 HydrophobicContact CD2-CD1 4.37Å; L274-Y327 HydrophobicContact CD2-CE1 3.52Å; L274-Y327 HydrophobicContact CG-CE1 3.91Å; L277-Y327 WeakPolarHBondContact CD1-OH 3.28Å; V298-Y327 HydrophobicContact CG1-CD1 4.26Å; V298-Y327 HydrophobicContact CG1-CG 4.28Å; F303-Y327 HydrophobicContact CE1-CE1 4.33Å; F303-Y327 HydrophobicContact CE1-CE2 4.41Å; F303-Y327 AromaticContact CE1-CZ 4Å; F303-Y327 HydrophobicContact CZ-CE1 4.39Å; Y317-Y327 AromaticContact CE1-CD2 3.9Å; Y317-Y327 HydrophobicContact CE1-CD2 3.9Å; Y317-Y327 AromaticContact CE1-CE2 3.97Å; Y317-Y327 HydrophobicContact CE1-CE2 3.97Å; Y317-Y327 AromaticContact CZ-CD2 3.92Å; Y317-Y327 AromaticContact CZ-CE2 3.78Å; Y317-Y327 WeakPolarHBondContact OH-CD2 3.39Å; Y317-Y327 WeakPolarHBondContact OH-CE2 3.26Å; G325-Y327 VanDerWaalsContact C-N 3.3Å; G325-Y327 PolarHBondContact O-N 3.33Å; Y327-L331 HydrophobicContact CD1-CD1 4.17Å; Y327-L331 CarbonylContact O-C 3.31Å; Y327-L331 VanDerWaalsContact O-CB 3.28Å; Y327-L331 WeakPolarHBondContact O-CB 3.05Å; Y327-G333 WeakPolarHBondContact O-CA 3.47Å; Y327-G333 PolarHBondContact O-N 3.09Å; Y327-F334 AromaticContact CD2-CE2 3.75Å; Y327-F334 HydrophobicContact CD2-CE2 3.75Å; Y327-F334 HydrophobicContact CD2-CZ 4Å; Y327-F334 HydrophobicContact CG-CE2 4.17Å; Y327-F334 HydrophobicContact CG-CZ 4.39Å
328	T	91.6	Very high	92.3	Very high	5 Å²	5	28.8 Å²	28.8	3%	0.031	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122	-22.6	-172.4	58.5	0	0	0	0	113.8	D163 P322 G325 L331 R344	D163-T328 HydrophobicContact CB-CG2 3.93Å; D163-T328 WeakPolarHBondContact OD2-CG2 3.17Å; P322-T328 PolarHBondContact O-OG1 3.24Å; G325-T328 PolarHBondContact O-N 3.39Å; G325-T328 VanDerWaalsContact O-N 3.08Å; G325-T328 PolarHBondContact O-OG1 3.47Å; T328-L331 CarbonylContact C-O 3.58Å; T328-R344 VanDerWaalsContact OG1-CZ 3.32Å; T328-R344 PolarHBondContact OG1-NH1 3.17Å; T328-R344 PolarHBondContact OG1-NH2 3.4Å
329	Y	88.5	Confident	92.3	Very high	89 Å²	89	28.9 Å²	28.9	35%	0.349	14%	0.14	S	C	.	.	S	Bend	trans	-64.8	-67.2	180	-178.1	-115.6	0	0	0	111.1	T323 I324 G325 Y628	T323-Y329 WeakPolarHBondContact O-CD2 3.32Å; I324-Y329 HydrophobicContact CG2-CD2 4.24Å; I324-Y329 HydrophobicContact CG2-CE2 4.35Å; G325-Y329 WeakPolarHBondContact O-CB 3.38Å; G325-Y329 PolarHBondContact O-N 3.01Å; Y329-Y628 HydrophobicContact CE1-CE2 4.15Å; Y329-Y628 PolarHBondContact O-OH 3.02Å
330	R	88.9	Confident	92.4	Very high	29 Å²	29	28.9 Å²	28.9	11%	0.109	14%	0.14	C	C	.	.	S	Bend	trans	-100.6	-13.2	-179.8	65.6	179.7	-178.5	78.6	-8	114.7	P270 E282 R289 R290 Y628	P270-R330 VanDerWaalsContact CB-NH2 3.33Å; E282-R330 IonicContact OE1-CZ 2.73Å; E282-R330 IonicContact OE1-NH1 2.75Å; E282-R330 PolarHBondContact OE1-NH1 2.77Å; E282-R330 IonicContact OE1-NH2 3.54Å; E282-R330 IonicContact OE2-CZ 2.64Å; E282-R330 IonicContact OE2-NH1 3.62Å; E282-R330 PolarHBondContact OE2-NH1 3.37Å; E282-R330 IonicContact OE2-NH2 3.64Å; E282-R330 PolarHBondContact OE2-NH2 2.81Å; R289-R330 WeakPolarHBondContact CA-O 3.31Å; R290-R330 PolarHBondContact N-O 2.66Å; R330-Y628 HydrophobicContact CB-CE1 3.75Å
331	L	92.3	Very high	92.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.14	C	C	.	.	B	Isolated β-bridge	trans	-105	161.6	179.2	-53.6	-176.1	0	0	0	110.8	T288 R289 R290 V298 Y327 T328 G333	T288-L331 CarbonylContact O-C 3.53Å; T288-L331 WeakPolarHBondContact O-CA 3.4Å; R289-L331 HydrophobicContact CB-CD2 4.37Å; R289-L331 HydrophobicContact CG-CD2 3.65Å; R290-L331 VanDerWaalsContact CD-O 3.31Å; R290-L331 WeakPolarHBondContact CD-O 3.4Å; R290-L331 VanDerWaalsContact CG-C 3.45Å; R290-L331 VanDerWaalsContact CG-O 3.27Å; R290-L331 WeakPolarHBondContact CG-O 3.25Å; V298-L331 HydrophobicContact CG2-CB 3.92Å; V298-L331 HydrophobicContact CG2-CD1 4.29Å; Y327-L331 HydrophobicContact CD1-CD1 4.17Å; Y327-L331 CarbonylContact O-C 3.31Å; Y327-L331 VanDerWaalsContact O-CB 3.28Å; Y327-L331 WeakPolarHBondContact O-CB 3.05Å; T328-L331 CarbonylContact C-O 3.58Å; L331-G333 PolarHBondContact O-N 2.89Å; L331-G333 VanDerWaalsContact O-N 3.14Å
332	K	94.9	Very high	93	Very high	52 Å²	52	28.7 Å²	28.7	23%	0.226	14%	0.139	C	C	.	.			trans	-69	-2.5	-175.5	-81.5	-169.4	171.6	-175	0	114.9	F164 T288 R290 A295 S296 F297	F164-K332 VanDerWaalsContact CE2-O 3.22Å; F164-K332 WeakPolarHBondContact CE2-O 3.4Å; T288-K332 PolarHBondContact O-N 2.92Å; R290-K332 HydrophobicContact CG-CG 4.24Å; A295-K332 HydrophobicContact CB-CD 4.11Å; A295-K332 WeakPolarHBondContact O-CE 3.16Å; A295-K332 PolarHBondContact O-NZ 2.8Å; S296-K332 WeakPolarHBondContact O-CD 3.39Å; F297-K332 HydrophobicContact CD1-CB 4.01Å; F297-K332 WeakPolarHBondContact CD1-O 3.49Å
333	G	95.9	Very high	93.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.138	C	C	.	.			trans	68.3	-176.8	-173.6	0	0	0	0	0	113	D163 V298 Y327 L331	D163-G333 WeakPolarHBondContact OD2-CA 3.31Å; V298-G333 WeakPolarHBondContact CB-O 3.45Å; V298-G333 PolarHBondContact N-O 2.65Å; Y327-G333 WeakPolarHBondContact O-CA 3.47Å; Y327-G333 PolarHBondContact O-N 3.09Å; L331-G333 PolarHBondContact O-N 2.89Å; L331-G333 VanDerWaalsContact O-N 3.14Å
334	F	96.9	Very high	93.8	Very high	3 Å²	3	25.8 Å²	25.8	1%	0.013	12%	0.12	C	C	.	.			trans	-85.2	137	171.3	-60.7	-82.1	0	0	0	111.5	D163 V298 D299 F303 W305 Y317 Y327 E336 P338	D163-F334 WeakPolarHBondContact CB-O 3.41Å; D163-F334 PolarHBondContact N-O 2.78Å; D163-F334 VanDerWaalsContact OD2-CD2 3.28Å; D163-F334 WeakPolarHBondContact OD2-CD2 3.36Å; D163-F334 PolarHBondContact OD2-N 3.4Å; V298-F334 HydrophobicContact CB-CD1 4.36Å; V298-F334 HydrophobicContact CB-CE1 4.3Å; V298-F334 HydrophobicContact CG1-CD1 4.37Å; V298-F334 HydrophobicContact CG1-CE1 3.82Å; V298-F334 HydrophobicContact CG1-CE2 4.48Å; V298-F334 HydrophobicContact CG1-CZ 3.87Å; D299-F334 WeakPolarHBondContact OD2-CA 3.48Å; F303-F334 HydrophobicContact CD2-CE1 4.13Å; F303-F334 AromaticContact CE2-CE1 3.42Å; F303-F334 HydrophobicContact CE2-CE1 3.42Å; F303-F334 VanDerWaalsContact CE2-CE1 3.42Å; F303-F334 AromaticContact CE2-CZ 3.7Å; F303-F334 HydrophobicContact CE2-CZ 3.7Å; F303-F334 AromaticContact CZ-CE1 3.98Å; F303-F334 HydrophobicContact CZ-CE1 3.98Å; F303-F334 AromaticContact CZ-CZ 3.77Å; F303-F334 HydrophobicContact CZ-CZ 3.77Å; W305-F334 HydrophobicContact CH2-CZ 4.4Å; W305-F334 HydrophobicContact CZ2-CE1 4.27Å; W305-F334 AromaticContact CZ2-CZ 3.99Å; W305-F334 HydrophobicContact CZ2-CZ 3.99Å; Y317-F334 HydrophobicContact CE1-CE2 4.03Å; Y327-F334 AromaticContact CD2-CE2 3.75Å; Y327-F334 HydrophobicContact CD2-CE2 3.75Å; Y327-F334 HydrophobicContact CD2-CZ 4Å; Y327-F334 HydrophobicContact CG-CE2 4.17Å; Y327-F334 HydrophobicContact CG-CZ 4.39Å; F334-E336 WeakPolarHBondContact CB-O 3.42Å; F334-P338 HydrophobicContact CD1-CB 3.75Å; F334-P338 HydrophobicContact CD1-CG 4.28Å; F334-P338 HydrophobicContact CD2-CB 4.22Å; F334-P338 HydrophobicContact CD2-CG 3.91Å; F334-P338 HydrophobicContact CE1-CB 3.64Å; F334-P338 HydrophobicContact CE1-CG 4.37Å; F334-P338 HydrophobicContact CE2-CB 4.17Å; F334-P338 HydrophobicContact CE2-CG 4.06Å; F334-P338 HydrophobicContact CG-CB 4.04Å; F334-P338 HydrophobicContact CG-CG 4.05Å; F334-P338 HydrophobicContact CZ-CB 3.88Å; F334-P338 HydrophobicContact CZ-CG 4.28Å
335	N	95.6	Very high	94.2	Very high	79 Å²	79	24.2 Å²	24.2	42%	0.422	11%	0.112	S	C	.	.	S	Bend	trans	-88	-32.6	170.2	-172.8	71.1	0	0	0	111.4	F297 D299	F297-N335 HydrophobicContact CB-CB 4.02Å; F297-N335 HydrophobicContact CD1-CB 3.97Å; F297-N335 HydrophobicContact CD2-CB 3.85Å; F297-N335 HydrophobicContact CE1-CB 4.35Å; F297-N335 HydrophobicContact CE2-CB 4.24Å; F297-N335 HydrophobicContact CG-CB 3.7Å; F297-N335 HydrophobicContact CZ-CB 4.48Å; D299-N335 PolarHBondContact OD1-N 3.34Å; D299-N335 PolarHBondContact OD2-N 3.18Å
336	E	95.9	Very high	94.6	Very high	138 Å²	138	24.2 Å²	24.2	65%	0.645	11%	0.112	S	C	*	.	S	Bend	trans	-114.1	151.4	172.9	-63.3	-179	-174.1	0	0	111	D299 F334 P338	D299-E336 PolarHBondContact OD1-N 3.47Å; F334-E336 WeakPolarHBondContact CB-O 3.42Å; E336-P338 WeakPolarHBondContact O-CD 3.2Å; E336-P338 VanDerWaalsContact O-N 3.15Å
337	Q	95.8	Very high	94.9	Very high	70 Å²	70	24.2 Å²	24.2	33%	0.327	11%	0.112	S	C	.	.			trans	-59.1	121.5	179.9	-167	-178.9	-78.3	0	0	110.9	F160 T339 D340 Y342	F160-Q337 HydrophobicContact CD1-CB 4.14Å; F160-Q337 HydrophobicContact CD2-CB 4.33Å; F160-Q337 HydrophobicContact CD2-CG 4.38Å; F160-Q337 HydrophobicContact CE1-CB 4.38Å; F160-Q337 HydrophobicContact CG-CB 4.11Å; F160-Q337 HydrophobicContact CG-CG 4.43Å; Q337-T339 WeakPolarHBondContact CG-O 3.11Å; Q337-T339 PolarHBondContact NE2-O 2.99Å; Q337-T339 PolarHBondContact O-N 3.18Å; Q337-D340 PolarHBondContact NE2-O 3.09Å; Q337-D340 VanDerWaalsContact NE2-O 3.09Å; Q337-Y342 HydrophobicContact CG-CD1 4.16Å; Q337-Y342 HydrophobicContact CG-CG 4.31Å
338	P	97	Very high	95	Very high	14 Å²	14	25.2 Å²	25.2	9%	0.091	12%	0.117	C	C	.	.	S	Bend	trans	-72.3	-26.9	-166.8	24.6	-34.5	0	0	0	114.8	W305 Y317 F334 E336 Y342	W305-P338 VanDerWaalsContact CD1-O 3.28Å; W305-P338 HydrophobicContact CZ2-CB 4.15Å; W305-P338 PolarHBondContact NE1-O 3.38Å; W305-P338 VanDerWaalsContact NE1-O 3.09Å; Y317-P338 HydrophobicContact CD1-CG 4.08Å; F334-P338 HydrophobicContact CD1-CB 3.75Å; F334-P338 HydrophobicContact CD1-CG 4.28Å; F334-P338 HydrophobicContact CD2-CB 4.22Å; F334-P338 HydrophobicContact CD2-CG 3.91Å; F334-P338 HydrophobicContact CE1-CB 3.64Å; F334-P338 HydrophobicContact CE1-CG 4.37Å; F334-P338 HydrophobicContact CE2-CB 4.17Å; F334-P338 HydrophobicContact CE2-CG 4.06Å; F334-P338 HydrophobicContact CG-CB 4.04Å; F334-P338 HydrophobicContact CG-CG 4.05Å; F334-P338 HydrophobicContact CZ-CB 3.88Å; F334-P338 HydrophobicContact CZ-CG 4.28Å; E336-P338 WeakPolarHBondContact O-CD 3.2Å; E336-P338 VanDerWaalsContact O-N 3.15Å; P338-Y342 HydrophobicContact CG-CD1 4.19Å; P338-Y342 HydrophobicContact CG-CD2 3.96Å; P338-Y342 HydrophobicContact CG-CE1 4.15Å; P338-Y342 HydrophobicContact CG-CE2 3.98Å; P338-Y342 HydrophobicContact CG-CG 4.08Å
339	T	97.1	Very high	95.2	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.006	12%	0.119	C	C	.	.	S	Bend	trans	-136.6	169.4	-174.9	47.2	0	0	0	0	110.2	W305 Y317 Q337 H341	W305-T339 HydrophobicContact CB-CG2 4.32Å; W305-T339 HydrophobicContact CD2-CG2 4.12Å; W305-T339 HydrophobicContact CG-CG2 3.91Å; Y317-T339 WeakPolarHBondContact CB-OG1 3.41Å; Y317-T339 PolarHBondContact N-OG1 3.49Å; Q337-T339 WeakPolarHBondContact CG-O 3.11Å; Q337-T339 PolarHBondContact NE2-O 2.99Å; Q337-T339 PolarHBondContact O-N 3.18Å; T339-H341 PolarHBondContact O-N 3.33Å; T339-H341 PolarHBondContact OG1-O 3.38Å
340	D	96	Very high	95.5	Very high	8 Å²	8	21.6 Å²	21.6	4%	0.043	10%	0.103	C	C	.	.	S	Bend	trans	-64.7	-32.8	178.4	-58.2	-66.1	0	0	0	112.3	K207 R213 K309 T315 Q337	K207-D340 VanDerWaalsContact CE-O 3.31Å; K207-D340 WeakPolarHBondContact CE-O 3.47Å; K207-D340 HydrophobicContact CG-CB 4.33Å; R213-D340 IonicContact CZ-OD1 2.69Å; R213-D340 VanDerWaalsContact NH1-CG 3.35Å; R213-D340 IonicContact NH1-OD1 3.54Å; R213-D340 PolarHBondContact NH1-OD1 3.47Å; R213-D340 IonicContact NH1-OD2 3.27Å; R213-D340 PolarHBondContact NH1-OD2 3.16Å; R213-D340 IonicContact NH2-OD1 2.76Å; R213-D340 PolarHBondContact NH2-OD1 3.02Å; K309-D340 WeakPolarHBondContact CE-OD1 3.46Å; K309-D340 IonicContact NZ-OD1 3.98Å; K309-D340 PolarHBondContact NZ-OD1 3.24Å; T315-D340 PolarHBondContact N-OD2 2.98Å; T315-D340 WeakPolarHBondContact O-CB 3.47Å; T315-D340 PolarHBondContact O-N 3.49Å; T315-D340 PolarHBondContact OG1-N 3.48Å; T315-D340 PolarHBondContact OG1-OD2 3.42Å; Q337-D340 PolarHBondContact NE2-O 3.09Å; Q337-D340 VanDerWaalsContact NE2-O 3.09Å
341	H	97.6	Very high	95.8	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	126.5	177.2	-62.7	-71.8	0	0	0	109.5	D183 I204 V205 T315 L316 Y317 T339 Y374 F378 Y382	D183-H341 IonicContact OD1-ND1 3.19Å; D183-H341 IonicContact OD2-CE1 2.75Å; D183-H341 IonicContact OD2-CG 3.43Å; D183-H341 IonicContact OD2-ND1 3Å; D183-H341 PolarHBondContact OD2-ND1 3.36Å; I204-H341 HydrophobicContact CD1-CB 4.02Å; V205-H341 PolarHBondContact O-CE1 3.41Å; T315-H341 PolarHBondContact O-N 3.41Å; L316-H341 WeakPolarHBondContact CA-O 3.41Å; L316-H341 HydrophobicContact CB-CB 4.03Å; L316-H341 HydrophobicContact CD1-CB 3.98Å; L316-H341 HydrophobicContact CG-CB 3.92Å; Y317-H341 PolarHBondContact N-O 3.17Å; T339-H341 PolarHBondContact O-N 3.33Å; T339-H341 PolarHBondContact OG1-O 3.38Å; H341-Y374 WeakPolarHBondContact CB-OH 3.41Å; H341-F378 AromaticContact CD2-CD2 3.77Å; H341-F378 AromaticContact CD2-CE2 3.59Å; H341-Y382 AromaticContact NE2-CE2 3.34Å; H341-Y382 VanDerWaalsContact NE2-CE2 3.34Å; H341-Y382 WeakPolarHBondContact NE2-CE2 3.39Å; H341-Y382 AromaticContact NE2-CZ 3.47Å; H341-Y382 PolarHBondContact NE2-OH 3.05Å
342	Y	97.6	Very high	95.8	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.008	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	102.7	-173.7	-172.4	-139.7	0	0	0	112.4	F160 D163 F184 Y317 Q337 P338 R344	F160-Y342 HydrophobicContact CD2-CD1 4.08Å; F160-Y342 HydrophobicContact CD2-CE1 4.41Å; F160-Y342 HydrophobicContact CE2-CD1 4.13Å; F160-Y342 HydrophobicContact CE2-CE1 4.07Å; D163-Y342 WeakPolarHBondContact OD1-CE1 3.35Å; D163-Y342 PolarHBondContact OD1-OH 2.95Å; F184-Y342 WeakPolarHBondContact CE2-O 3.3Å; F184-Y342 VanDerWaalsContact CZ-O 3.28Å; F184-Y342 WeakPolarHBondContact CZ-O 3.43Å; Y317-Y342 AromaticContact CD1-CD2 3.86Å; Y317-Y342 HydrophobicContact CD1-CD2 3.86Å; Y317-Y342 AromaticContact CD1-CE2 3.37Å; Y317-Y342 HydrophobicContact CD1-CE2 3.37Å; Y317-Y342 AromaticContact CE1-CE2 3.73Å; Y317-Y342 HydrophobicContact CE1-CE2 3.73Å; Y317-Y342 HydrophobicContact CG-CD2 4.18Å; Y317-Y342 HydrophobicContact CG-CE2 4.02Å; Y317-Y342 WeakPolarHBondContact O-CA 3.32Å; Y317-Y342 WeakPolarHBondContact O-CD2 3.44Å; Q337-Y342 HydrophobicContact CG-CD1 4.16Å; Q337-Y342 HydrophobicContact CG-CG 4.31Å; P338-Y342 HydrophobicContact CG-CD1 4.19Å; P338-Y342 HydrophobicContact CG-CD2 3.96Å; P338-Y342 HydrophobicContact CG-CE1 4.15Å; P338-Y342 HydrophobicContact CG-CE2 3.98Å; P338-Y342 HydrophobicContact CG-CG 4.08Å; Y342-R344 VanDerWaalsContact C-N 3.27Å; Y342-R344 HydrophobicContact CD1-CB 4.11Å; Y342-R344 HydrophobicContact CD2-CB 4.29Å; Y342-R344 HydrophobicContact CE1-CB 3.6Å; Y342-R344 HydrophobicContact CE1-CG 4.27Å; Y342-R344 HydrophobicContact CE2-CB 3.77Å; Y342-R344 HydrophobicContact CG-CB 4.45Å; Y342-R344 VanDerWaalsContact CZ-CB 3.41Å; Y342-R344 PolarHBondContact O-N 2.71Å; Y342-R344 WeakPolarHBondContact OH-CD 3.4Å
343	L	96.7	Very high	95.8	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-16.9	-168.8	-168.3	58.2	0	0	0	114.3	F184 A202 Y317 A318 N345 F346 Y347 H371 Y374	F184-L343 HydrophobicContact CD1-CD1 4.31Å; F184-L343 HydrophobicContact CE1-CD1 3.46Å; F184-L343 VanDerWaalsContact CE1-CD1 3.46Å; F184-L343 HydrophobicContact CZ-CD1 3.98Å; A202-L343 HydrophobicContact CB-CD1 4.22Å; Y317-L343 PolarHBondContact O-N 2.77Å; Y317-L343 VanDerWaalsContact O-N 3.13Å; A318-L343 HydrophobicContact CB-CB 3.65Å; A318-L343 HydrophobicContact CB-CD2 3.82Å; A318-L343 HydrophobicContact CB-CG 4.4Å; L343-N345 PolarHBondContact O-N 3.39Å; L343-N345 VanDerWaalsContact O-N 3.13Å; L343-F346 HydrophobicContact CD1-CB 3.9Å; L343-F346 HydrophobicContact CD1-CD1 4.11Å; L343-F346 HydrophobicContact CD1-CG 4.22Å; L343-F346 VanDerWaalsContact O-CB 3.28Å; L343-F346 WeakPolarHBondContact O-CB 3.07Å; L343-F346 PolarHBondContact O-N 3.02Å; L343-F346 VanDerWaalsContact O-N 3.07Å; L343-Y347 HydrophobicContact CD2-CD2 4.42Å; L343-Y347 HydrophobicContact CD2-CE2 3.66Å; L343-Y347 HydrophobicContact CG-CD2 4.04Å; L343-Y347 HydrophobicContact CG-CE2 3.76Å; L343-H371 WeakPolarHBondContact CD2-CD2 2.93Å; L343-Y374 HydrophobicContact CB-CD1 4.02Å; L343-Y374 HydrophobicContact CB-CE1 3.83Å; L343-Y374 HydrophobicContact CD1-CD1 3.78Å; L343-Y374 HydrophobicContact CD1-CD2 4.15Å; L343-Y374 HydrophobicContact CD1-CE1 3.95Å; L343-Y374 HydrophobicContact CD1-CE2 4.32Å; L343-Y374 HydrophobicContact CD1-CG 3.88Å; L343-Y374 HydrophobicContact CD2-CD1 3.91Å; L343-Y374 HydrophobicContact CD2-CG 4.33Å; L343-Y374 HydrophobicContact CG-CD1 4.11Å; L343-Y374 HydrophobicContact CG-CE1 4.31Å
344	R	95.2	Very high	95.6	Very high	8 Å²	8	28.3 Å²	28.3	3%	0.03	14%	0.141	C	C	.	.	H	α-helix	trans	-53.3	-39	-176.3	-179.7	177	179	80.4	5.8	113.6	D163 P322 T328 Y342 F346 Y347 L348	D163-R344 VanDerWaalsContact O-CZ 3.24Å; D163-R344 PolarHBondContact O-NE 2.76Å; D163-R344 PolarHBondContact O-NH2 3.24Å; P322-R344 VanDerWaalsContact CA-NH1 3.3Å; P322-R344 HydrophobicContact CB-CG 4.33Å; P322-R344 PolarHBondContact O-NH1 3.38Å; P322-R344 PolarHBondContact O-NH2 3.28Å; T328-R344 VanDerWaalsContact OG1-CZ 3.32Å; T328-R344 PolarHBondContact OG1-NH1 3.17Å; T328-R344 PolarHBondContact OG1-NH2 3.4Å; Y342-R344 VanDerWaalsContact C-N 3.27Å; Y342-R344 HydrophobicContact CD1-CB 4.11Å; Y342-R344 HydrophobicContact CD2-CB 4.29Å; Y342-R344 HydrophobicContact CE1-CB 3.6Å; Y342-R344 HydrophobicContact CE1-CG 4.27Å; Y342-R344 HydrophobicContact CE2-CB 3.77Å; Y342-R344 HydrophobicContact CG-CB 4.45Å; Y342-R344 VanDerWaalsContact CZ-CB 3.41Å; Y342-R344 PolarHBondContact O-N 2.71Å; Y342-R344 WeakPolarHBondContact OH-CD 3.4Å; R344-F346 PolarHBondContact O-N 2.91Å; R344-Y347 PolarHBondContact O-N 3.22Å; R344-Y347 VanDerWaalsContact O-N 3.16Å; R344-L348 HydrophobicContact CG-CD1 3.96Å; R344-L348 HydrophobicContact CG-CG 4.13Å; R344-L348 PolarHBondContact O-N 3.41Å
345	N	94.3	Very high	95.2	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.011	18%	0.178	C	C	.	.	H	α-helix	trans	-60.6	-36.7	-177.9	-58.3	-27.6	0	0	0	112.3	F160 V166 F184 L343 K349	F160-N345 WeakPolarHBondContact CA-ND2 3.29Å; F160-N345 WeakPolarHBondContact CB-ND2 3.42Å; F160-N345 WeakPolarHBondContact CD2-OD1 3.42Å; V166-N345 HydrophobicContact CG1-CB 4.01Å; F184-N345 HydrophobicContact CD2-CB 3.95Å; F184-N345 HydrophobicContact CE2-CB 4.03Å; L343-N345 PolarHBondContact O-N 3.39Å; L343-N345 VanDerWaalsContact O-N 3.13Å; N345-K349 PolarHBondContact O-N 2.93Å
346	F	96.8	Very high	94.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-60.7	-52.4	175.3	175.5	-107.6	0	0	0	110.8	F184 A202 L343 R344 L348 K349 V350 L362 L367 V370	F184-F346 HydrophobicContact CB-CB 4.39Å; F184-F346 HydrophobicContact CB-CD2 4.34Å; F184-F346 HydrophobicContact CD1-CB 3.63Å; F184-F346 HydrophobicContact CD1-CD2 4.13Å; F184-F346 HydrophobicContact CD1-CG 4.18Å; F184-F346 HydrophobicContact CD2-CB 4.34Å; F184-F346 HydrophobicContact CE1-CB 3.97Å; F184-F346 HydrophobicContact CG-CB 3.84Å; F184-F346 HydrophobicContact CG-CD2 4.47Å; F184-F346 HydrophobicContact CZ-CB 4.46Å; A202-F346 HydrophobicContact CB-CD2 4.17Å; A202-F346 HydrophobicContact CB-CE2 4.2Å; A202-F346 HydrophobicContact CB-CG 4.42Å; A202-F346 HydrophobicContact CB-CZ 4.45Å; L343-F346 HydrophobicContact CD1-CB 3.9Å; L343-F346 HydrophobicContact CD1-CD1 4.11Å; L343-F346 HydrophobicContact CD1-CG 4.22Å; L343-F346 VanDerWaalsContact O-CB 3.28Å; L343-F346 WeakPolarHBondContact O-CB 3.07Å; L343-F346 PolarHBondContact O-N 3.02Å; L343-F346 VanDerWaalsContact O-N 3.07Å; R344-F346 PolarHBondContact O-N 2.91Å; F346-L348 PolarHBondContact O-N 3.26Å; F346-K349 PolarHBondContact O-N 3.21Å; F346-V350 HydrophobicContact CE1-CG2 4.37Å; F346-V350 HydrophobicContact CE2-CG2 4.33Å; F346-V350 HydrophobicContact CZ-CG2 4.24Å; F346-V350 WeakPolarHBondContact O-CG2 3.38Å; F346-V350 PolarHBondContact O-N 3.22Å; F346-L362 HydrophobicContact CE1-CD1 4.04Å; F346-L362 HydrophobicContact CE2-CD1 4.41Å; F346-L362 HydrophobicContact CZ-CD1 3.43Å; F346-L362 VanDerWaalsContact CZ-CD1 3.43Å; F346-L367 HydrophobicContact CE1-CD1 3.68Å; F346-L367 HydrophobicContact CZ-CD1 4.29Å; F346-V370 HydrophobicContact CE1-CG1 3.89Å; F346-V370 HydrophobicContact CZ-CG1 3.9Å
347	Y	95.7	Very high	94.1	Very high	5 Å²	5	35.3 Å²	35.3	2%	0.02	17%	0.168	C	C	.	.	H	α-helix	trans	-65.1	-38.9	179.4	-76	-78.3	0	0	0	113	D320 L343 R344 K349 V350 Q351 L367 H371	D320-Y347 HydrophobicContact CB-CD1 4.12Å; D320-Y347 HydrophobicContact CB-CD2 4.12Å; D320-Y347 HydrophobicContact CB-CE1 3.57Å; D320-Y347 HydrophobicContact CB-CE2 3.6Å; D320-Y347 HydrophobicContact CB-CG 4.38Å; L343-Y347 HydrophobicContact CD2-CD2 4.42Å; L343-Y347 HydrophobicContact CD2-CE2 3.66Å; L343-Y347 HydrophobicContact CG-CD2 4.04Å; L343-Y347 HydrophobicContact CG-CE2 3.76Å; R344-Y347 PolarHBondContact O-N 3.22Å; R344-Y347 VanDerWaalsContact O-N 3.16Å; Y347-K349 VanDerWaalsContact C-N 3.29Å; Y347-K349 PolarHBondContact O-N 3.42Å; Y347-V350 PolarHBondContact O-N 3.39Å; Y347-Q351 WeakPolarHBondContact O-CB 3.19Å; Y347-Q351 WeakPolarHBondContact O-CG 3.33Å; Y347-Q351 PolarHBondContact O-N 2.68Å; Y347-L367 HydrophobicContact CD1-CD2 3.94Å; Y347-L367 HydrophobicContact CD1-CG 4.47Å; Y347-L367 HydrophobicContact CE1-CD1 3.9Å; Y347-L367 HydrophobicContact CE1-CD2 3.39Å; Y347-L367 HydrophobicContact CE1-CG 3.54Å; Y347-L367 PolarHBondContact OH-O 3.12Å; Y347-H371 VanDerWaalsContact OH-CB 3.3Å; Y347-H371 WeakPolarHBondContact OH-CB 3.5Å; Y347-H371 PolarHBondContact OH-ND1 2.8Å
348	L	95.4	Very high	93.4	Very high	24 Å²	24	33.2 Å²	33.2	13%	0.126	16%	0.159	C	C	.	.	H	α-helix	trans	-58	-45.6	175.1	-80.9	173.1	0	0	0	110.5	V166 P322 R344 F346 Q351 E352	V166-L348 HydrophobicContact CG1-CB 3.78Å; V166-L348 HydrophobicContact CG1-CD1 4.14Å; P322-L348 HydrophobicContact CB-CD2 3.62Å; P322-L348 HydrophobicContact CB-CG 3.89Å; P322-L348 HydrophobicContact CG-CD2 3.9Å; P322-L348 HydrophobicContact CG-CG 4.12Å; R344-L348 HydrophobicContact CG-CD1 3.96Å; R344-L348 HydrophobicContact CG-CG 4.13Å; R344-L348 PolarHBondContact O-N 3.41Å; F346-L348 PolarHBondContact O-N 3.26Å; L348-Q351 PolarHBondContact O-N 3.27Å; L348-E352 VanDerWaalsContact O-CB 3.26Å; L348-E352 WeakPolarHBondContact O-CB 2.99Å; L348-E352 PolarHBondContact O-N 2.83Å
349	K	96	Very high	92.8	Very high	18 Å²	18	32.8 Å²	32.8	8%	0.078	16%	0.156	C	C	.	.	H	α-helix	trans	-67.3	-42.2	179.1	-171.7	47.4	172.3	164.9	0	112.7	I158 V166 Y200 N345 F346 Y347 E352 D353	I158-K349 HydrophobicContact CD1-CB 3.92Å; I158-K349 HydrophobicContact CD1-CG 3.58Å; I158-K349 HydrophobicContact CG1-CG 4.07Å; I158-K349 HydrophobicContact CG2-CB 4.23Å; V166-K349 HydrophobicContact CG2-CB 4.12Å; V166-K349 HydrophobicContact CG2-CD 4Å; Y200-K349 HydrophobicContact CD1-CG 4.41Å; Y200-K349 HydrophobicContact CE1-CG 4.2Å; N345-K349 PolarHBondContact O-N 2.93Å; F346-K349 PolarHBondContact O-N 3.21Å; Y347-K349 VanDerWaalsContact C-N 3.29Å; Y347-K349 PolarHBondContact O-N 3.42Å; K349-E352 WeakPolarHBondContact CD-OE2 3.49Å; K349-E352 IonicContact NZ-OE1 3.8Å; K349-E352 IonicContact NZ-OE2 2.8Å; K349-E352 PolarHBondContact NZ-OE2 3.15Å; K349-E352 PolarHBondContact O-N 3.39Å; K349-D353 WeakPolarHBondContact CE-OD1 3.47Å; K349-D353 WeakPolarHBondContact CE-OD2 3.32Å; K349-D353 IonicContact NZ-OD1 3.74Å; K349-D353 PolarHBondContact NZ-OD1 2.93Å; K349-D353 IonicContact NZ-OD2 3.81Å; K349-D353 PolarHBondContact NZ-OD2 2.84Å; K349-D353 PolarHBondContact O-N 2.7Å; K349-D353 VanDerWaalsContact O-N 3.08Å
350	V	95.1	Very high	92.3	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-58.9	-50.8	176.7	172.4	0	0	0	0	109.9	Y200 F346 Y347 E352 D353 T354 P359 L362	Y200-V350 HydrophobicContact CD1-CG2 4.11Å; Y200-V350 HydrophobicContact CD2-CG2 3.93Å; Y200-V350 HydrophobicContact CG-CG2 3.67Å; F346-V350 HydrophobicContact CE1-CG2 4.37Å; F346-V350 HydrophobicContact CE2-CG2 4.33Å; F346-V350 HydrophobicContact CZ-CG2 4.24Å; F346-V350 WeakPolarHBondContact O-CG2 3.38Å; F346-V350 PolarHBondContact O-N 3.22Å; Y347-V350 PolarHBondContact O-N 3.39Å; V350-E352 PolarHBondContact O-N 2.94Å; V350-D353 PolarHBondContact O-N 2.62Å; V350-T354 HydrophobicContact CG1-CG2 4.3Å; V350-T354 WeakPolarHBondContact O-CB 3.48Å; V350-T354 WeakPolarHBondContact O-CG2 3.5Å; V350-T354 PolarHBondContact O-N 3.45Å; V350-T354 PolarHBondContact O-OG1 3.36Å; V350-P359 HydrophobicContact CG1-CG 3.73Å; V350-L362 HydrophobicContact CG1-CD2 4.18Å; V350-L362 HydrophobicContact CG2-CD2 4.46Å
351	Q	93.3	Very high	92.1	Very high	23 Å²	23	36.3 Å²	36.3	11%	0.107	18%	0.177	C	C	.	.	H	α-helix	trans	-65.2	-38.3	179.2	-69.1	-168.4	-15.4	0	0	113.1	P322 Y347 L348 D353 H355 E356 Y357	P322-Q351 HydrophobicContact CG-CG 4.32Å; P322-Q351 VanDerWaalsContact CG-OE1 3.31Å; Y347-Q351 WeakPolarHBondContact O-CB 3.19Å; Y347-Q351 WeakPolarHBondContact O-CG 3.33Å; Y347-Q351 PolarHBondContact O-N 2.68Å; L348-Q351 PolarHBondContact O-N 3.27Å; Q351-D353 VanDerWaalsContact C-N 3.31Å; Q351-D353 PolarHBondContact O-N 3.03Å; Q351-H355 VanDerWaalsContact O-CA 3.28Å; Q351-H355 WeakPolarHBondContact O-CA 3.38Å; Q351-H355 PolarHBondContact O-N 3.06Å; Q351-E356 WeakPolarHBondContact CG-O 3.5Å; Q351-Y357 PolarHBondContact NE2-O 3.43Å
352	E	93.7	Very high	91.8	Very high	103 Å²	103	36.8 Å²	36.8	48%	0.481	18%	0.18	S	C	.	.	H	α-helix	trans	-57.1	-46.3	176.1	-178	-169.6	-164	0	0	110.9	L348 K349 V350 H355	L348-E352 VanDerWaalsContact O-CB 3.26Å; L348-E352 WeakPolarHBondContact O-CB 2.99Å; L348-E352 PolarHBondContact O-N 2.83Å; K349-E352 WeakPolarHBondContact CD-OE2 3.49Å; K349-E352 IonicContact NZ-OE1 3.8Å; K349-E352 IonicContact NZ-OE2 2.8Å; K349-E352 PolarHBondContact NZ-OE2 3.15Å; K349-E352 PolarHBondContact O-N 3.39Å; V350-E352 PolarHBondContact O-N 2.94Å; E352-H355 PolarHBondContact O-CE1 2.9Å; E352-H355 PolarHBondContact O-ND1 3.49Å
353	D	94.5	Very high	91.5	Very high	49 Å²	49	38.3 Å²	38.3	26%	0.262	20%	0.195	S	C	.	.	H	α-helix	trans	-85	-31.9	-173.5	-75.5	-7.8	0	0	0	113.8	K186 Y200 K349 V350 Q351	K186-D353 IonicContact NZ-OD2 3.33Å; K186-D353 PolarHBondContact NZ-OD2 2.71Å; Y200-D353 HydrophobicContact CE1-CB 4.34Å; Y200-D353 WeakPolarHBondContact CE1-OD2 3.29Å; Y200-D353 WeakPolarHBondContact OH-CB 3.44Å; Y200-D353 PolarHBondContact OH-OD2 3.41Å; K349-D353 WeakPolarHBondContact CE-OD1 3.47Å; K349-D353 WeakPolarHBondContact CE-OD2 3.32Å; K349-D353 IonicContact NZ-OD1 3.74Å; K349-D353 PolarHBondContact NZ-OD1 2.93Å; K349-D353 IonicContact NZ-OD2 3.81Å; K349-D353 PolarHBondContact NZ-OD2 2.84Å; K349-D353 PolarHBondContact O-N 2.7Å; K349-D353 VanDerWaalsContact O-N 3.08Å; V350-D353 PolarHBondContact O-N 2.62Å; Q351-D353 VanDerWaalsContact C-N 3.31Å; Q351-D353 PolarHBondContact O-N 3.03Å
354	T	90.7	Very high	91.3	Very high	47 Å²	47	40.1 Å²	40.1	29%	0.288	21%	0.208	S	C	.	.	H	α-helix	trans	-89.7	-20.1	179.3	65.4	0	0	0	0	112.9	V350 E356	V350-T354 HydrophobicContact CG1-CG2 4.3Å; V350-T354 WeakPolarHBondContact O-CB 3.48Å; V350-T354 WeakPolarHBondContact O-CG2 3.5Å; V350-T354 PolarHBondContact O-N 3.45Å; V350-T354 PolarHBondContact O-OG1 3.36Å; T354-E356 PolarHBondContact O-N 3.42Å; T354-E356 WeakPolarHBondContact OG1-CB 3.38Å; T354-E356 PolarHBondContact OG1-N 3.18Å
355	H	89.7	Confident	91.1	Very high	169 Å²	169	42.9 Å²	42.9	78%	0.782	22%	0.222	S	C	*	.			trans	57.1	20.3	-168.9	-52.1	-53.7	0	0	0	113.7	Q351 E352	Q351-H355 VanDerWaalsContact O-CA 3.28Å; Q351-H355 WeakPolarHBondContact O-CA 3.38Å; Q351-H355 PolarHBondContact O-N 3.06Å; E352-H355 PolarHBondContact O-CE1 2.9Å; E352-H355 PolarHBondContact O-ND1 3.49Å
356	E	86.4	Confident	91	Very high	106 Å²	106	43.4 Å²	43.4	50%	0.495	23%	0.225	S	C	.	.			trans	-95.8	132.7	177	-65.7	-176.6	-155.9	0	0	110.9	Q351 T354 P359	Q351-E356 WeakPolarHBondContact CG-O 3.5Å; T354-E356 PolarHBondContact O-N 3.42Å; T354-E356 WeakPolarHBondContact OG1-CB 3.38Å; T354-E356 PolarHBondContact OG1-N 3.18Å; E356-P359 HydrophobicContact CB-CB 4.15Å; E356-P359 HydrophobicContact CB-CG 4.34Å; E356-P359 WeakPolarHBondContact OE2-CA 3.21Å; E356-P359 WeakPolarHBondContact OE2-CB 3.17Å
357	Y	80.7	Confident	90.6	Very high	91 Å²	91	43.5 Å²	43.5	36%	0.357	23%	0.226	S	C	.	.	S	Bend	trans	-68.5	-39.1	178.8	164.6	-96.5	0	0	0	113.3	V321 T323 I324 Q351 D400	V321-Y357 HydrophobicContact CG1-CE1 4.19Å; V321-Y357 HydrophobicContact CG1-CE2 3.9Å; T323-Y357 HydrophobicContact CG2-CD2 4.18Å; T323-Y357 WeakPolarHBondContact OG1-CD2 3.46Å; T323-Y357 WeakPolarHBondContact OG1-CE2 3.34Å; I324-Y357 WeakPolarHBondContact CD1-OH 3.42Å; I324-Y357 WeakPolarHBondContact CG1-OH 3.35Å; I324-Y357 HydrophobicContact CG2-CE2 4.35Å; Q351-Y357 PolarHBondContact NE2-O 3.43Å; Y357-D400 WeakPolarHBondContact CE1-OD2 3.17Å
358	N	82.2	Confident	90.2	Very high	26 Å²	26	43.6 Å²	43.6	14%	0.139	23%	0.226	C	C	.	.	S	Bend	trans	-145.9	72.7	-179.5	-175	15.9	0	0	0	109.3	L360 G396	N358-L360 PolarHBondContact O-N 2.95Å; N358-G396 PolarHBondContact ND2-O 3.41Å; N358-G396 VanDerWaalsContact ND2-O 3.14Å
359	P	84.4	Confident	89.9	Confident	6 Å²	6	46.7 Å²	46.7	4%	0.039	24%	0.24	C	C	.	.			trans	-62.5	126.2	178.5	21.8	-27.5	0	0	0	109.4	V350 E356 L367	V350-P359 HydrophobicContact CG1-CG 3.73Å; E356-P359 HydrophobicContact CB-CB 4.15Å; E356-P359 HydrophobicContact CB-CG 4.34Å; E356-P359 WeakPolarHBondContact OE2-CA 3.21Å; E356-P359 WeakPolarHBondContact OE2-CB 3.17Å; P359-L367 HydrophobicContact CB-CD2 4.42Å; P359-L367 HydrophobicContact CG-CD2 3.87Å; P359-L367 WeakPolarHBondContact O-CD2 3.45Å
360	L	85.8	Confident	89.7	Confident	47 Å²	47	46.4 Å²	46.4	25%	0.246	24%	0.24	C	C	.	.			trans	-86.5	-21.5	-175.4	-58.4	179.1	0	0	0	112.9	L122 N358 S366 L367 Y368	L122-L360 HydrophobicContact CD1-CB 3.56Å; L122-L360 HydrophobicContact CD1-CD1 3.68Å; L122-L360 HydrophobicContact CD1-CG 4.25Å; L122-L360 HydrophobicContact CD2-CB 4.06Å; L122-L360 WeakPolarHBondContact CD2-O 3.44Å; L122-L360 HydrophobicContact CG-CB 4.46Å; N358-L360 PolarHBondContact O-N 2.95Å; L360-S366 WeakPolarHBondContact O-CA 3.33Å; L360-L367 PolarHBondContact O-N 3.31Å; L360-Y368 HydrophobicContact CD2-CE2 3.83Å; L360-Y368 WeakPolarHBondContact CD2-OH 3.25Å
361	C	91.7	Very high	89.7	Confident	36 Å²	36	46.4 Å²	46.4	24%	0.243	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	149.6	-172.5	-61.9	0	0	0	0	111.8	C124 E365	C124-C361 WeakPolarHBondContact CA-SG 3.3Å; C124-C361 HydrophobicContact CB-CB 3.7Å; C124-C361 WeakPolarHBondContact CB-SG 3.33Å; C124-C361 WeakPolarHBondContact SG-CB 3.27Å; C124-C361 CovalentContact SG-SG 2.04Å; C124-C361 PolarHBondContact SG-SG 3.3Å; C361-E365 CarbonylContact C-O 3.57Å; C361-E365 WeakPolarHBondContact CA-O 3.45Å
362	L	91.8	Very high	89.8	Confident	10 Å²	10	45.6 Å²	45.6	5%	0.052	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	88.6	168.9	-77.8	-176.3	0	0	0	109.1	N129 N199 Y200 F346 V350 S364 E365 L367	N129-L362 PolarHBondContact ND2-O 2.89Å; N129-L362 VanDerWaalsContact ND2-O 3.07Å; N129-L362 PolarHBondContact OD1-O 3.35Å; N199-L362 PolarHBondContact ND2-O 3.48Å; N199-L362 VanDerWaalsContact ND2-O 3.1Å; N199-L362 WeakPolarHBondContact OD1-CB 3.4Å; Y200-L362 HydrophobicContact CD2-CD2 3.95Å; F346-L362 HydrophobicContact CE1-CD1 4.04Å; F346-L362 HydrophobicContact CE2-CD1 4.41Å; F346-L362 HydrophobicContact CZ-CD1 3.43Å; F346-L362 VanDerWaalsContact CZ-CD1 3.43Å; V350-L362 HydrophobicContact CG1-CD2 4.18Å; V350-L362 HydrophobicContact CG2-CD2 4.46Å; L362-S364 PolarHBondContact O-N 2.8Å; L362-E365 PolarHBondContact N-O 3.13Å; L362-E365 PolarHBondContact O-N 2.86Å; L362-L367 HydrophobicContact CD1-CD1 3.39Å; L362-L367 HydrophobicContact CG-CD1 3.8Å
363	G	91.7	Very high	89.8	Confident	33 Å²	33	43.3 Å²	43.3	34%	0.34	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	64	-121.8	-169.2	0	0	0	0	0	110.4	S125 N129	S125-G363 VanDerWaalsContact CB-C 3.48Å; S125-G363 VanDerWaalsContact CB-O 3.27Å; S125-G363 WeakPolarHBondContact CB-O 3.33Å; S125-G363 PolarHBondContact N-O 2.74Å; N129-G363 WeakPolarHBondContact OD1-CA 3.13Å
364	S	91.9	Very high	89.9	Confident	40 Å²	40	41 Å²	41	28%	0.28	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-13.6	-179.8	56.7	0	0	0	0	115.1	S125 E127 N129 L362	S125-S364 WeakPolarHBondContact O-CA 3.47Å; S125-S364 VanDerWaalsContact O-CB 3.28Å; S125-S364 WeakPolarHBondContact O-CB 3.37Å; E127-S364 VanDerWaalsContact O-CB 3.31Å; E127-S364 WeakPolarHBondContact O-CB 3.43Å; N129-S364 PolarHBondContact N-OG 3Å; N129-S364 VanDerWaalsContact N-OG 3.12Å; N129-S364 PolarHBondContact OD1-N 2.82Å; L362-S364 PolarHBondContact O-N 2.8Å
365	E	91.7	Very high	90.1	Very high	66 Å²	66	38.8 Å²	38.8	31%	0.308	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	142	-176	-72.5	177.8	-174.9	0	0	110.8	C361 L362 V370	C361-E365 CarbonylContact C-O 3.57Å; C361-E365 WeakPolarHBondContact CA-O 3.45Å; L362-E365 PolarHBondContact N-O 3.13Å; L362-E365 PolarHBondContact O-N 2.86Å; E365-V370 HydrophobicContact CB-CG2 4.27Å
366	S	91	Very high	90.3	Very high	12 Å²	12	32.5 Å²	32.5	8%	0.084	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	139.2	169.1	69.1	0	0	0	0	109.7	L360 Y368 Q369 V370	L360-S366 WeakPolarHBondContact O-CA 3.33Å; S366-Y368 PolarHBondContact O-N 3.4Å; S366-Y368 VanDerWaalsContact O-N 3.15Å; S366-Q369 PolarHBondContact O-N 3.04Å; S366-Q369 VanDerWaalsContact OG-CB 3.3Å; S366-Q369 WeakPolarHBondContact OG-CB 3.37Å; S366-Q369 VanDerWaalsContact OG-CD 3.24Å; S366-Q369 WeakPolarHBondContact OG-CG 3.39Å; S366-Q369 PolarHBondContact OG-N 2.92Å; S366-Q369 VanDerWaalsContact OG-N 3.15Å; S366-Q369 PolarHBondContact OG-OE1 2.88Å; S366-V370 PolarHBondContact O-N 2.92Å; S366-V370 VanDerWaalsContact O-N 3.13Å
367	L	89.6	Confident	90.8	Very high	3 Å²	3	27.9 Å²	27.9	2%	0.016	16%	0.155	C	C	.	.	H	α-helix	trans	-61.8	-26.1	178	-170.5	56.5	0	0	0	111.6	F346 Y347 P359 L360 L362 V370 H371	F346-L367 HydrophobicContact CE1-CD1 3.68Å; F346-L367 HydrophobicContact CZ-CD1 4.29Å; Y347-L367 HydrophobicContact CD1-CD2 3.94Å; Y347-L367 HydrophobicContact CD1-CG 4.47Å; Y347-L367 HydrophobicContact CE1-CD1 3.9Å; Y347-L367 HydrophobicContact CE1-CD2 3.39Å; Y347-L367 HydrophobicContact CE1-CG 3.54Å; Y347-L367 PolarHBondContact OH-O 3.12Å; P359-L367 HydrophobicContact CB-CD2 4.42Å; P359-L367 HydrophobicContact CG-CD2 3.87Å; P359-L367 WeakPolarHBondContact O-CD2 3.45Å; L360-L367 PolarHBondContact O-N 3.31Å; L362-L367 HydrophobicContact CD1-CD1 3.39Å; L362-L367 HydrophobicContact CG-CD1 3.8Å; L367-V370 HydrophobicContact CD1-CB 4.46Å; L367-V370 PolarHBondContact O-N 3.35Å; L367-H371 PolarHBondContact O-N 3.23Å
368	Y	86.5	Confident	91.5	Very high	6 Å²	6	23.5 Å²	23.5	2%	0.024	14%	0.138	C	C	.	.	H	α-helix	trans	-69.7	-37.6	173.9	-53.4	-55	0	0	0	113.7	L360 S366 H371 L372 G396 Y397	L360-Y368 HydrophobicContact CD2-CE2 3.83Å; L360-Y368 WeakPolarHBondContact CD2-OH 3.25Å; S366-Y368 PolarHBondContact O-N 3.4Å; S366-Y368 VanDerWaalsContact O-N 3.15Å; Y368-H371 WeakPolarHBondContact O-CB 3.46Å; Y368-H371 PolarHBondContact O-N 3.48Å; Y368-L372 PolarHBondContact O-N 3.32Å; Y368-L372 VanDerWaalsContact O-N 3.08Å; Y368-G396 VanDerWaalsContact OH-C 3.25Å; Y368-G396 PolarHBondContact OH-O 3.08Å; Y368-Y397 WeakPolarHBondContact CB-OH 3.28Å; Y368-Y397 HydrophobicContact CD1-CD1 4.34Å; Y368-Y397 AromaticContact CD1-CD2 3.89Å; Y368-Y397 HydrophobicContact CD1-CD2 3.89Å; Y368-Y397 HydrophobicContact CD1-CE1 4.18Å; Y368-Y397 AromaticContact CD1-CE2 3.72Å; Y368-Y397 HydrophobicContact CD1-CE2 3.72Å; Y368-Y397 HydrophobicContact CD1-CG 4.2Å; Y368-Y397 AromaticContact CD1-CZ 3.89Å; Y368-Y397 HydrophobicContact CD2-CD1 4.02Å; Y368-Y397 AromaticContact CD2-CE1 3.41Å; Y368-Y397 HydrophobicContact CD2-CE1 3.41Å; Y368-Y397 VanDerWaalsContact CD2-CE1 3.41Å; Y368-Y397 HydrophobicContact CD2-CE2 4.28Å; Y368-Y397 AromaticContact CD2-CZ 3.58Å; Y368-Y397 HydrophobicContact CE1-CD1 4.26Å; Y368-Y397 HydrophobicContact CE1-CD2 4.22Å; Y368-Y397 HydrophobicContact CE1-CE1 4.48Å; Y368-Y397 HydrophobicContact CE1-CE2 4.45Å; Y368-Y397 HydrophobicContact CE1-CG 4.13Å; Y368-Y397 AromaticContact CE2-CD1 3.92Å; Y368-Y397 HydrophobicContact CE2-CD1 3.92Å; Y368-Y397 AromaticContact CE2-CE1 3.76Å; Y368-Y397 HydrophobicContact CE2-CE1 3.76Å; Y368-Y397 HydrophobicContact CG-CD1 4.22Å; Y368-Y397 HydrophobicContact CG-CD2 4.19Å; Y368-Y397 AromaticContact CG-CE1 3.64Å; Y368-Y397 HydrophobicContact CG-CE1 3.64Å; Y368-Y397 AromaticContact CG-CE2 3.61Å; Y368-Y397 HydrophobicContact CG-CE2 3.61Å; Y368-Y397 HydrophobicContact CG-CG 4.47Å; Y368-Y397 AromaticContact CG-CZ 3.31Å
369	Q	88.8	Confident	91.9	Very high	89 Å²	89	22.3 Å²	22.3	42%	0.416	13%	0.131	S	C	.	.	H	α-helix	trans	-68	-38.9	172.4	-79.2	165.9	-25.4	0	0	111.5	S366 H371 L372 S373	S366-Q369 PolarHBondContact O-N 3.04Å; S366-Q369 VanDerWaalsContact OG-CB 3.3Å; S366-Q369 WeakPolarHBondContact OG-CB 3.37Å; S366-Q369 VanDerWaalsContact OG-CD 3.24Å; S366-Q369 WeakPolarHBondContact OG-CG 3.39Å; S366-Q369 PolarHBondContact OG-N 2.92Å; S366-Q369 VanDerWaalsContact OG-N 3.15Å; S366-Q369 PolarHBondContact OG-OE1 2.88Å; Q369-H371 PolarHBondContact O-N 3.35Å; Q369-L372 PolarHBondContact O-N 3.32Å; Q369-S373 VanDerWaalsContact O-CB 3.23Å; Q369-S373 WeakPolarHBondContact O-CB 3.23Å; Q369-S373 PolarHBondContact O-N 3.43Å; Q369-S373 PolarHBondContact O-OG 3.12Å
370	V	93.1	Very high	92.2	Very high	13 Å²	13	23.5 Å²	23.5	8%	0.079	14%	0.139	C	C	.	.	H	α-helix	trans	-57.4	-42.7	173.1	175.3	0	0	0	0	110.1	A202 F346 E365 S366 L367 S373 Y374	A202-V370 HydrophobicContact CB-CG1 4.3Å; F346-V370 HydrophobicContact CE1-CG1 3.89Å; F346-V370 HydrophobicContact CZ-CG1 3.9Å; E365-V370 HydrophobicContact CB-CG2 4.27Å; S366-V370 PolarHBondContact O-N 2.92Å; S366-V370 VanDerWaalsContact O-N 3.13Å; L367-V370 HydrophobicContact CD1-CB 4.46Å; L367-V370 PolarHBondContact O-N 3.35Å; V370-S373 PolarHBondContact O-N 2.9Å; V370-Y374 PolarHBondContact O-N 2.79Å
371	H	94.7	Very high	92.5	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-60.3	-54.1	177.1	-160.6	166.2	0	0	0	111.9	A318 D320 L343 Y347 L367 Y368 Q369 S373 Y374 Q392 I393 H394	A318-H371 WeakPolarHBondContact CB-NE2 3.29Å; D320-H371 IonicContact OD2-CE1 2.69Å; D320-H371 IonicContact OD2-ND1 3.65Å; D320-H371 PolarHBondContact OD2-ND1 3.01Å; L343-H371 WeakPolarHBondContact CD2-CD2 2.93Å; Y347-H371 VanDerWaalsContact OH-CB 3.3Å; Y347-H371 WeakPolarHBondContact OH-CB 3.5Å; Y347-H371 PolarHBondContact OH-ND1 2.8Å; L367-H371 PolarHBondContact O-N 3.23Å; Y368-H371 WeakPolarHBondContact O-CB 3.46Å; Y368-H371 PolarHBondContact O-N 3.48Å; Q369-H371 PolarHBondContact O-N 3.35Å; H371-S373 VanDerWaalsContact C-N 3.34Å; H371-S373 PolarHBondContact O-N 3.45Å; H371-Y374 WeakPolarHBondContact O-CB 3.49Å; H371-Y374 PolarHBondContact O-N 2.97Å; H371-Q392 VanDerWaalsContact C-NE2 3.28Å; H371-Q392 PolarHBondContact CD2-NE2 3.41Å; H371-Q392 WeakPolarHBondContact NE2-CG 3.42Å; H371-Q392 PolarHBondContact O-NE2 3.09Å; H371-I393 PolarHBondContact CE1-O 2.89Å; H371-I393 VanDerWaalsContact CE1-O 3.27Å; H371-H394 AromaticContact CG-CE1 3.52Å; H371-H394 AromaticContact CG-ND1 3.87Å; H371-H394 AromaticContact ND1-CE1 3.51Å; H371-H394 AromaticContact ND1-ND1 3.37Å; H371-H394 PolarHBondContact ND1-ND1 3.27Å
372	L	94.5	Very high	92.4	Very high	6 Å²	6	21.4 Å²	21.4	3%	0.031	13%	0.126	C	C	.	.	H	α-helix	trans	-58	-45.5	177.1	-70.1	170.2	0	0	0	111.7	L229 Y368 Q369 Y374 V375 E376 H394 P411 H415	L229-L372 HydrophobicContact CD1-CD2 4.29Å; Y368-L372 PolarHBondContact O-N 3.32Å; Y368-L372 VanDerWaalsContact O-N 3.08Å; Q369-L372 PolarHBondContact O-N 3.32Å; L372-Y374 VanDerWaalsContact C-N 3.25Å; L372-Y374 PolarHBondContact O-N 3.16Å; L372-V375 PolarHBondContact O-N 3.47Å; L372-V375 VanDerWaalsContact O-N 3.1Å; L372-E376 PolarHBondContact O-N 2.79Å; L372-H394 WeakPolarHBondContact CD2-NE2 3.42Å; L372-P411 HydrophobicContact CD1-CB 3.94Å; L372-H415 HydrophobicContact CD1-CB 4.33Å; L372-H415 HydrophobicContact CD2-CB 4.23Å; L372-H415 PolarHBondContact O-CE1 3.16Å; L372-H415 VanDerWaalsContact O-CE1 3.27Å
373	S	94.6	Very high	92.1	Very high	54 Å²	54	24.8 Å²	24.8	38%	0.378	15%	0.148	S	C	.	.	H	α-helix	trans	-63	-30	-178.3	-58.5	0	0	0	0	112.8	Q369 V370 H371 V375 E376 D377	Q369-S373 VanDerWaalsContact O-CB 3.23Å; Q369-S373 WeakPolarHBondContact O-CB 3.23Å; Q369-S373 PolarHBondContact O-N 3.43Å; Q369-S373 PolarHBondContact O-OG 3.12Å; V370-S373 PolarHBondContact O-N 2.9Å; H371-S373 VanDerWaalsContact C-N 3.34Å; H371-S373 PolarHBondContact O-N 3.45Å; S373-V375 VanDerWaalsContact C-N 3.28Å; S373-V375 PolarHBondContact O-N 3.1Å; S373-E376 WeakPolarHBondContact O-CB 3.35Å; S373-E376 PolarHBondContact O-N 3.1Å; S373-D377 WeakPolarHBondContact O-CB 3.27Å; S373-D377 PolarHBondContact O-N 2.63Å
374	Y	97.1	Very high	91.5	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.008	16%	0.158	C	C	.	.	H	α-helix	trans	-60.8	-37.6	175.6	-174.7	-116.2	0	0	0	112.1	D183 F184 A202 T203 I204 L316 A318 H341 L343 V370 H371 L372 F378	D183-Y374 HydrophobicContact CB-CE2 4.29Å; D183-Y374 PolarHBondContact OD2-OH 3.28Å; F184-Y374 HydrophobicContact CE1-CD2 4.32Å; F184-Y374 AromaticContact CE1-CE2 3.58Å; F184-Y374 HydrophobicContact CE1-CE2 3.58Å; F184-Y374 AromaticContact CE1-CZ 3.7Å; F184-Y374 HydrophobicContact CZ-CE2 4.1Å; F184-Y374 AromaticContact CZ-CZ 3.75Å; F184-Y374 WeakPolarHBondContact CZ-OH 3.28Å; A202-Y374 HydrophobicContact CB-CD2 4.01Å; A202-Y374 HydrophobicContact CB-CE2 4.5Å; T203-Y374 WeakPolarHBondContact O-CE2 3.35Å; I204-Y374 HydrophobicContact CD1-CD2 3.94Å; I204-Y374 HydrophobicContact CD1-CE1 4.05Å; I204-Y374 HydrophobicContact CD1-CE2 3.34Å; I204-Y374 VanDerWaalsContact CD1-CZ 3.4Å; I204-Y374 HydrophobicContact CG1-CD2 4.22Å; I204-Y374 HydrophobicContact CG1-CE2 3.98Å; L316-Y374 HydrophobicContact CD1-CD1 3.91Å; L316-Y374 HydrophobicContact CD1-CE1 3.65Å; L316-Y374 HydrophobicContact CG-CE1 4.1Å; A318-Y374 HydrophobicContact CB-CD1 4.49Å; H341-Y374 WeakPolarHBondContact CB-OH 3.41Å; L343-Y374 HydrophobicContact CB-CD1 4.02Å; L343-Y374 HydrophobicContact CB-CE1 3.83Å; L343-Y374 HydrophobicContact CD1-CD1 3.78Å; L343-Y374 HydrophobicContact CD1-CD2 4.15Å; L343-Y374 HydrophobicContact CD1-CE1 3.95Å; L343-Y374 HydrophobicContact CD1-CE2 4.32Å; L343-Y374 HydrophobicContact CD1-CG 3.88Å; L343-Y374 HydrophobicContact CD2-CD1 3.91Å; L343-Y374 HydrophobicContact CD2-CG 4.33Å; L343-Y374 HydrophobicContact CG-CD1 4.11Å; L343-Y374 HydrophobicContact CG-CE1 4.31Å; V370-Y374 PolarHBondContact O-N 2.79Å; H371-Y374 WeakPolarHBondContact O-CB 3.49Å; H371-Y374 PolarHBondContact O-N 2.97Å; L372-Y374 VanDerWaalsContact C-N 3.25Å; L372-Y374 PolarHBondContact O-N 3.16Å; Y374-F378 PolarHBondContact O-N 3.02Å; Y374-F378 VanDerWaalsContact O-N 3.11Å
375	V	95.1	Very high	91	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-75.5	-37	174.8	-178.5	0	0	0	0	111.1	Y227 L316 L372 S373 D377 F378 F379 A390 Q392 F419	Y227-V375 HydrophobicContact CD2-CG1 4.28Å; Y227-V375 HydrophobicContact CE1-CG1 4.14Å; Y227-V375 HydrophobicContact CE2-CG1 3.84Å; Y227-V375 HydrophobicContact CE2-CG2 4.44Å; L316-V375 HydrophobicContact CD2-CG2 4.02Å; L372-V375 PolarHBondContact O-N 3.47Å; L372-V375 VanDerWaalsContact O-N 3.1Å; S373-V375 VanDerWaalsContact C-N 3.28Å; S373-V375 PolarHBondContact O-N 3.1Å; V375-D377 VanDerWaalsContact C-N 3.31Å; V375-D377 PolarHBondContact O-N 3.12Å; V375-F378 WeakPolarHBondContact O-CB 3.43Å; V375-F378 PolarHBondContact O-N 3.39Å; V375-F379 HydrophobicContact CG1-CD2 3.9Å; V375-F379 HydrophobicContact CG1-CE2 3.82Å; V375-F379 VanDerWaalsContact O-CD2 3.32Å; V375-F379 WeakPolarHBondContact O-CD2 2.73Å; V375-F379 PolarHBondContact O-N 3.2Å; V375-F379 VanDerWaalsContact O-N 3.07Å; V375-A390 HydrophobicContact CG1-CB 4.1Å; V375-Q392 HydrophobicContact CG2-CB 4.1Å; V375-Q392 HydrophobicContact CG2-CG 4.28Å; V375-Q392 VanDerWaalsContact CG2-NE2 3.31Å; V375-F419 HydrophobicContact CG1-CZ 4.19Å
376	E	94.1	Very high	90.6	Very high	37 Å²	37	33.7 Å²	33.7	17%	0.173	17%	0.17	C	C	.	.	H	α-helix	trans	-59.2	-45.4	173.7	-63.4	-179.6	-169.9	0	0	111.6	L372 S373 F378 F379 T380 H415 F418	L372-E376 PolarHBondContact O-N 2.79Å; S373-E376 WeakPolarHBondContact O-CB 3.35Å; S373-E376 PolarHBondContact O-N 3.1Å; E376-F378 VanDerWaalsContact C-N 3.26Å; E376-F378 PolarHBondContact O-N 3.13Å; E376-F379 PolarHBondContact O-N 3.45Å; E376-T380 WeakPolarHBondContact O-CG2 3.3Å; E376-T380 PolarHBondContact O-N 3.39Å; E376-T380 PolarHBondContact O-OG1 3.18Å; E376-H415 WeakPolarHBondContact CG-ND1 3.5Å; E376-H415 IonicContact OE1-CE1 3.99Å; E376-H415 IonicContact OE1-CG 3.59Å; E376-H415 IonicContact OE1-ND1 3.08Å; E376-H415 PolarHBondContact OE1-ND1 2.89Å; E376-F418 HydrophobicContact CB-CD1 4.22Å; E376-F418 HydrophobicContact CB-CE1 3.73Å; E376-F418 HydrophobicContact CB-CE2 4.1Å; E376-F418 HydrophobicContact CB-CZ 3.63Å; E376-F418 HydrophobicContact CG-CD1 3.78Å; E376-F418 HydrophobicContact CG-CD2 4.4Å; E376-F418 HydrophobicContact CG-CE1 3.81Å; E376-F418 HydrophobicContact CG-CE2 4.41Å; E376-F418 HydrophobicContact CG-CG 4.09Å; E376-F418 HydrophobicContact CG-CZ 4.1Å
377	D	95.2	Very high	90.5	Very high	8 Å²	8	35 Å²	35	4%	0.043	17%	0.173	C	C	.	.	H	α-helix	trans	-62.9	-34.8	177	-160.5	37	0	0	0	111.4	R134 N135 T203 I204 S373 V375 T380 T381	R134-D377 VanDerWaalsContact CG-OD1 3.28Å; R134-D377 WeakPolarHBondContact CG-OD1 3.29Å; N135-D377 PolarHBondContact N-OD1 3.4Å; N135-D377 PolarHBondContact N-OD2 3.36Å; N135-D377 PolarHBondContact OD1-OD1 2.88Å; T203-D377 VanDerWaalsContact CA-OD2 3.24Å; T203-D377 WeakPolarHBondContact CA-OD2 3.39Å; T203-D377 WeakPolarHBondContact CB-OD2 3.48Å; T203-D377 PolarHBondContact OG1-OD2 3.31Å; I204-D377 HydrophobicContact CG1-CB 4.19Å; I204-D377 PolarHBondContact N-OD2 3.12Å; S373-D377 WeakPolarHBondContact O-CB 3.27Å; S373-D377 PolarHBondContact O-N 2.63Å; V375-D377 VanDerWaalsContact C-N 3.31Å; V375-D377 PolarHBondContact O-N 3.12Å; D377-T380 VanDerWaalsContact CA-OG1 3.31Å; D377-T380 WeakPolarHBondContact CA-OG1 3.32Å; D377-T380 PolarHBondContact O-N 2.94Å; D377-T380 PolarHBondContact O-OG1 3.34Å; D377-T380 VanDerWaalsContact O-OG1 3.04Å; D377-T381 WeakPolarHBondContact O-CB 3.17Å; D377-T381 PolarHBondContact O-N 3.04Å; D377-T381 PolarHBondContact O-OG1 2.74Å
378	F	95.2	Very high	90.6	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-64.5	-42.1	175.8	173.7	-117.8	0	0	0	112	I204 A314 L316 H341 Y374 V375 E376 T380 Y382 K388 A390	I204-F378 HydrophobicContact CD1-CB 3.89Å; I204-F378 HydrophobicContact CD1-CD2 4.22Å; I204-F378 HydrophobicContact CD1-CG 4.48Å; I204-F378 HydrophobicContact CG1-CB 3.81Å; I204-F378 HydrophobicContact CG2-CD2 4.26Å; A314-F378 HydrophobicContact CB-CE2 3.83Å; A314-F378 HydrophobicContact CB-CZ 3.77Å; L316-F378 HydrophobicContact CB-CD1 4.12Å; L316-F378 HydrophobicContact CB-CD2 4.48Å; L316-F378 HydrophobicContact CB-CE1 3.96Å; L316-F378 HydrophobicContact CB-CE2 4.36Å; L316-F378 HydrophobicContact CB-CG 4.38Å; L316-F378 HydrophobicContact CB-CZ 4.1Å; L316-F378 HydrophobicContact CD1-CB 3.64Å; L316-F378 HydrophobicContact CD1-CD1 3.89Å; L316-F378 HydrophobicContact CD1-CD2 4.05Å; L316-F378 HydrophobicContact CD1-CG 3.6Å; H341-F378 AromaticContact CD2-CD2 3.77Å; H341-F378 AromaticContact CD2-CE2 3.59Å; Y374-F378 PolarHBondContact O-N 3.02Å; Y374-F378 VanDerWaalsContact O-N 3.11Å; V375-F378 WeakPolarHBondContact O-CB 3.43Å; V375-F378 PolarHBondContact O-N 3.39Å; E376-F378 VanDerWaalsContact C-N 3.26Å; E376-F378 PolarHBondContact O-N 3.13Å; F378-T380 VanDerWaalsContact C-N 3.34Å; F378-Y382 AromaticContact CD2-CD2 3.74Å; F378-Y382 HydrophobicContact CD2-CD2 3.74Å; F378-Y382 AromaticContact CD2-CE2 3.66Å; F378-Y382 HydrophobicContact CD2-CE2 3.66Å; F378-Y382 AromaticContact CE2-CD2 3.67Å; F378-Y382 HydrophobicContact CE2-CD2 3.67Å; F378-Y382 AromaticContact CE2-CE2 3.5Å; F378-Y382 HydrophobicContact CE2-CE2 3.5Å; F378-Y382 WeakPolarHBondContact O-CD2 3.5Å; F378-K388 HydrophobicContact CE1-CB 3.7Å; F378-K388 HydrophobicContact CE1-CD 4.35Å; F378-K388 HydrophobicContact CE1-CG 4.05Å; F378-K388 HydrophobicContact CZ-CB 4.02Å; F378-K388 HydrophobicContact CZ-CG 4.08Å; F378-A390 HydrophobicContact CD1-CB 4.26Å; F378-A390 HydrophobicContact CE1-CB 4.16Å
379	F	91.6	Very high	90.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-73.8	-25.2	177.1	-82.4	-106	0	0	0	113.2	N225 V375 E376 K388 A390 F419 Y423	N225-F379 HydrophobicContact CB-CE1 3.62Å; N225-F379 HydrophobicContact CB-CZ 4.18Å; V375-F379 HydrophobicContact CG1-CD2 3.9Å; V375-F379 HydrophobicContact CG1-CE2 3.82Å; V375-F379 VanDerWaalsContact O-CD2 3.32Å; V375-F379 WeakPolarHBondContact O-CD2 2.73Å; V375-F379 PolarHBondContact O-N 3.2Å; V375-F379 VanDerWaalsContact O-N 3.07Å; E376-F379 PolarHBondContact O-N 3.45Å; F379-K388 HydrophobicContact CB-CD 4.36Å; F379-K388 HydrophobicContact CD1-CD 3.64Å; F379-K388 HydrophobicContact CD2-CD 4.32Å; F379-K388 HydrophobicContact CE1-CB 4.14Å; F379-K388 HydrophobicContact CE1-CD 4Å; F379-K388 HydrophobicContact CG-CD 3.83Å; F379-K388 HydrophobicContact CZ-CB 4.09Å; F379-K388 HydrophobicContact CZ-CD 4.48Å; F379-A390 HydrophobicContact CE2-CB 3.92Å; F379-F419 HydrophobicContact CB-CE1 4.03Å; F379-F419 HydrophobicContact CD1-CD1 4.41Å; F379-F419 AromaticContact CD1-CE1 3.67Å; F379-F419 HydrophobicContact CD1-CE1 3.67Å; F379-F419 AromaticContact CD2-CE1 3.78Å; F379-F419 HydrophobicContact CD2-CE1 3.78Å; F379-F419 AromaticContact CD2-CZ 3.99Å; F379-F419 HydrophobicContact CD2-CZ 3.99Å; F379-F419 AromaticContact CE1-CE1 3.96Å; F379-F419 HydrophobicContact CE1-CE1 3.96Å; F379-F419 HydrophobicContact CE2-CE1 4.07Å; F379-F419 HydrophobicContact CE2-CZ 4.27Å; F379-F419 AromaticContact CG-CE1 3.57Å; F379-F419 HydrophobicContact CG-CE1 3.57Å; F379-F419 HydrophobicContact CG-CZ 4.19Å; F379-F419 HydrophobicContact CZ-CE1 4.16Å; F379-Y423 HydrophobicContact CB-CD1 4.35Å; F379-Y423 HydrophobicContact CB-CE1 4.4Å; F379-Y423 HydrophobicContact CB-CG 4.42Å; F379-Y423 WeakPolarHBondContact O-CE1 3.21Å
380	T	91.1	Very high	91.3	Very high	31 Å²	31	30.4 Å²	30.4	19%	0.19	15%	0.152	C	C	.	.	H	α-helix	trans	-83.9	-34.7	175.8	57.2	0	0	0	0	114.2	N135 E376 D377 F378 F418 Y423	N135-T380 PolarHBondContact OD1-OG1 3.41Å; E376-T380 WeakPolarHBondContact O-CG2 3.3Å; E376-T380 PolarHBondContact O-N 3.39Å; E376-T380 PolarHBondContact O-OG1 3.18Å; D377-T380 VanDerWaalsContact CA-OG1 3.31Å; D377-T380 WeakPolarHBondContact CA-OG1 3.32Å; D377-T380 PolarHBondContact O-N 2.94Å; D377-T380 PolarHBondContact O-OG1 3.34Å; D377-T380 VanDerWaalsContact O-OG1 3.04Å; F378-T380 VanDerWaalsContact C-N 3.34Å; T380-F418 HydrophobicContact CG2-CE2 4.18Å; T380-F418 HydrophobicContact CG2-CZ 3.65Å; T380-Y423 VanDerWaalsContact CA-OH 3.31Å; T380-Y423 WeakPolarHBondContact CA-OH 3.29Å; T380-Y423 HydrophobicContact CG2-CE2 4.01Å; T380-Y423 WeakPolarHBondContact CG2-OH 3.45Å
381	T	92.2	Very high	91.5	Very high	26 Å²	26	29.9 Å²	29.9	16%	0.16	15%	0.148	C	C	.	.	H	α-helix	trans	-69.3	-38.8	-174.1	-64.8	0	0	0	0	112.1	N135 I204 P206 D377	N135-T381 WeakPolarHBondContact CA-OG1 3.43Å; N135-T381 PolarHBondContact OD1-OG1 3.11Å; I204-T381 HydrophobicContact CB-CG2 4.36Å; I204-T381 HydrophobicContact CG2-CG2 3.76Å; P206-T381 HydrophobicContact CB-CG2 4.2Å; P206-T381 HydrophobicContact CG-CG2 3.47Å; P206-T381 VanDerWaalsContact CG-CG2 3.47Å; D377-T381 WeakPolarHBondContact O-CB 3.17Å; D377-T381 PolarHBondContact O-N 3.04Å; D377-T381 PolarHBondContact O-OG1 2.74Å
382	Y	89	Confident	91.5	Very high	14 Å²	14	29.9 Å²	29.9	6%	0.055	15%	0.148	C	C	.	.	S	Bend	trans	-91.8	144.3	-179.1	-75.3	-77.5	0	0	0	112	I204 P206 K207 M210 A314 H341 F378 Q386	I204-Y382 HydrophobicContact CG2-CD2 4.43Å; I204-Y382 HydrophobicContact CG2-CE2 3.91Å; P206-Y382 HydrophobicContact CB-CE1 4.27Å; K207-Y382 PolarHBondContact N-OH 2.71Å; M210-Y382 HydrophobicContact CG-CE1 4.02Å; A314-Y382 HydrophobicContact CB-CD2 4.38Å; A314-Y382 HydrophobicContact CB-CE1 4.38Å; A314-Y382 HydrophobicContact CB-CE2 4.24Å; H341-Y382 AromaticContact NE2-CE2 3.34Å; H341-Y382 VanDerWaalsContact NE2-CE2 3.34Å; H341-Y382 WeakPolarHBondContact NE2-CE2 3.39Å; H341-Y382 AromaticContact NE2-CZ 3.47Å; H341-Y382 PolarHBondContact NE2-OH 3.05Å; F378-Y382 AromaticContact CD2-CD2 3.74Å; F378-Y382 HydrophobicContact CD2-CD2 3.74Å; F378-Y382 AromaticContact CD2-CE2 3.66Å; F378-Y382 HydrophobicContact CD2-CE2 3.66Å; F378-Y382 AromaticContact CE2-CD2 3.67Å; F378-Y382 HydrophobicContact CE2-CD2 3.67Å; F378-Y382 AromaticContact CE2-CE2 3.5Å; F378-Y382 HydrophobicContact CE2-CE2 3.5Å; F378-Y382 WeakPolarHBondContact O-CD2 3.5Å; Y382-Q386 HydrophobicContact CD1-CG 4.06Å; Y382-Q386 HydrophobicContact CG-CG 4.33Å
383	P	85	Confident	91.4	Very high	81 Å²	81	30 Å²	30	53%	0.526	15%	0.149	S	C	.	.			trans	-53.7	159	177.7	-25.9	34.2	0	0	0	113.8	E385 Q386 K388	P383-E385 PolarHBondContact O-N 3.08Å; P383-Q386 WeakPolarHBondContact O-CB 3.34Å; P383-Q386 PolarHBondContact O-N 3.15Å; P383-K388 PolarHBondContact O-NZ 3.35Å
384	R	80.2	Confident	91.2	Very high	145 Å²	145	27.4 Å²	27.4	55%	0.547	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-32.2	-178.5	-73.4	-175.3	170.5	-168.6	-4	112.7	Q386 R422	R384-Q386 VanDerWaalsContact C-N 3.28Å; R384-R422 PolarHBondContact NH2-O 2.94Å
385	E	80.1	Confident	90.7	Very high	144 Å²	144	27.3 Å²	27.3	67%	0.673	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-25.5	-179.4	-61.6	68	-147.4	0	0	111.8	P223 P383 R387	P223-E385 WeakPolarHBondContact CB-O 3.38Å; P383-E385 PolarHBondContact O-N 3.08Å; E385-R387 PolarHBondContact O-N 2.91Å
386	Q	84.9	Confident	90.1	Very high	37 Å²	37	27.5 Å²	27.5	17%	0.173	13%	0.133	C	C	.	.	S	Bend	trans	-72.3	117.1	177.1	-179.4	54.4	67.1	0	0	109.6	G312 A314 Y382 P383 R384 K388	G312-Q386 PolarHBondContact O-NE2 3.02Å; A314-Q386 HydrophobicContact CB-CG 4.35Å; Y382-Q386 HydrophobicContact CD1-CG 4.06Å; Y382-Q386 HydrophobicContact CG-CG 4.33Å; P383-Q386 WeakPolarHBondContact O-CB 3.34Å; P383-Q386 PolarHBondContact O-N 3.15Å; R384-Q386 VanDerWaalsContact C-N 3.28Å; Q386-K388 PolarHBondContact O-NZ 3.41Å
387	R	87.9	Confident	89.5	Confident	40 Å²	40	26 Å²	26	15%	0.151	13%	0.125	C	C	.	.			trans	-69.6	139.8	175.1	-60.8	-177.8	-175.5	131.4	-5.1	110.3	F220 P223 Y313 A314 E385	F220-R387 PolarHBondContact O-NH2 3.42Å; P223-R387 HydrophobicContact CB-CG 3.88Å; Y313-R387 WeakPolarHBondContact CA-O 3.3Å; Y313-R387 HydrophobicContact CD1-CB 3.74Å; Y313-R387 HydrophobicContact CD2-CB 3.91Å; Y313-R387 HydrophobicContact CE1-CB 3.63Å; Y313-R387 HydrophobicContact CE2-CB 3.81Å; Y313-R387 VanDerWaalsContact CE2-CD 3.43Å; Y313-R387 HydrophobicContact CE2-CG 4.27Å; Y313-R387 HydrophobicContact CG-CB 3.87Å; A314-R387 PolarHBondContact N-O 3.38Å; E385-R387 PolarHBondContact O-N 2.91Å
388	K	91.1	Very high	88.7	Confident	1 Å²	1	25.7 Å²	25.7	0%	0.004	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	134.3	-173.7	-64	170	-169.6	77.2	0	110.5	N225 I226 F378 F379 P383 Q386	N225-K388 CarbonylContact C-O 3.49Å; N225-K388 WeakPolarHBondContact CA-O 3.1Å; N225-K388 HydrophobicContact CB-CB 4.32Å; N225-K388 WeakPolarHBondContact OD1-CB 3.35Å; N225-K388 PolarHBondContact OD1-N 3.07Å; I226-K388 PolarHBondContact N-O 2.95Å; F378-K388 HydrophobicContact CE1-CB 3.7Å; F378-K388 HydrophobicContact CE1-CD 4.35Å; F378-K388 HydrophobicContact CE1-CG 4.05Å; F378-K388 HydrophobicContact CZ-CB 4.02Å; F378-K388 HydrophobicContact CZ-CG 4.08Å; F379-K388 HydrophobicContact CB-CD 4.36Å; F379-K388 HydrophobicContact CD1-CD 3.64Å; F379-K388 HydrophobicContact CD2-CD 4.32Å; F379-K388 HydrophobicContact CE1-CB 4.14Å; F379-K388 HydrophobicContact CE1-CD 4Å; F379-K388 HydrophobicContact CG-CD 3.83Å; F379-K388 HydrophobicContact CZ-CB 4.09Å; F379-K388 HydrophobicContact CZ-CD 4.48Å; P383-K388 PolarHBondContact O-NZ 3.35Å; Q386-K388 PolarHBondContact O-NZ 3.41Å
389	F	94.3	Very high	87.5	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	115.2	169.5	174.5	-90.7	0	0	0	107.6	I226 F228 L277 I304 W305 L308 Y313 A314 T315 L316 F391	I226-F389 HydrophobicContact CB-CD2 3.9Å; I226-F389 HydrophobicContact CG2-CD2 3.73Å; I226-F389 HydrophobicContact CG2-CE2 3.94Å; I226-F389 CarbonylContact O-C 3.55Å; I226-F389 VanDerWaalsContact O-CA 3.29Å; I226-F389 WeakPolarHBondContact O-CA 3.37Å; F228-F389 HydrophobicContact CD2-CE2 4.01Å; F228-F389 HydrophobicContact CD2-CZ 4.34Å; F228-F389 AromaticContact CE2-CE2 3.94Å; F228-F389 HydrophobicContact CE2-CE2 3.94Å; L277-F389 HydrophobicContact CD2-CZ 4.16Å; I304-F389 HydrophobicContact CG2-CE2 4.3Å; I304-F389 HydrophobicContact CG2-CZ 4.13Å; W305-F389 HydrophobicContact CB-CD1 3.85Å; W305-F389 HydrophobicContact CB-CE1 3.75Å; W305-F389 HydrophobicContact CE3-CE1 4.02Å; W305-F389 HydrophobicContact CE3-CZ 4.47Å; L308-F389 HydrophobicContact CD1-CB 4.03Å; L308-F389 HydrophobicContact CD1-CD2 3.27Å; L308-F389 HydrophobicContact CD1-CE2 3.82Å; L308-F389 HydrophobicContact CD1-CG 3.68Å; Y313-F389 HydrophobicContact CD1-CB 3.89Å; A314-F389 PolarHBondContact O-N 2.84Å; T315-F389 CarbonylContact C-O 3.54Å; T315-F389 WeakPolarHBondContact CA-O 3.49Å; T315-F389 HydrophobicContact CG2-CB 4.43Å; L316-F389 PolarHBondContact N-O 2.8Å; F389-F391 HydrophobicContact CE1-CB 3.89Å; F389-F391 HydrophobicContact CZ-CB 4.11Å; F389-F391 HydrophobicContact CZ-CD2 4.19Å
390	A	96.1	Very high	86.6	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	133.7	175.4	0	0	0	0	0	109.6	I226 Y227 F228 L316 V375 F378 F379	I226-A390 PolarHBondContact O-N 3.34Å; Y227-A390 WeakPolarHBondContact CA-O 3.34Å; Y227-A390 HydrophobicContact CD2-CB 3.66Å; Y227-A390 HydrophobicContact CE2-CB 4.27Å; Y227-A390 HydrophobicContact CG-CB 4.34Å; F228-A390 PolarHBondContact N-O 3.33Å; L316-A390 HydrophobicContact CB-CB 4.37Å; L316-A390 HydrophobicContact CD2-CB 4.27Å; V375-A390 HydrophobicContact CG1-CB 4.1Å; F378-A390 HydrophobicContact CD1-CB 4.26Å; F378-A390 HydrophobicContact CE1-CB 4.16Å; F379-A390 HydrophobicContact CE2-CB 3.92Å
391	F	96.6	Very high	85.9	Confident	1 Å²	1	28.5 Å²	28.5	0%	0.004	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	102.9	173.8	-163.5	-89.4	0	0	0	108.2	F228 L273 I276 L277 L316 Y317 A318 F389 I393	F228-F391 HydrophobicContact CB-CD2 3.36Å; F228-F391 HydrophobicContact CB-CE2 3.68Å; F228-F391 HydrophobicContact CB-CG 4.14Å; F228-F391 HydrophobicContact CD1-CD2 4.36Å; F228-F391 HydrophobicContact CD1-CE2 4.05Å; F228-F391 AromaticContact CD2-CD2 3.74Å; F228-F391 HydrophobicContact CD2-CD2 3.74Å; F228-F391 HydrophobicContact CD2-CE2 4.19Å; F228-F391 AromaticContact CG-CD2 3.56Å; F228-F391 HydrophobicContact CG-CD2 3.56Å; F228-F391 AromaticContact CG-CE2 3.72Å; F228-F391 HydrophobicContact CG-CE2 3.72Å; L273-F391 HydrophobicContact CB-CZ 4.45Å; L273-F391 HydrophobicContact CD1-CE1 4.09Å; L273-F391 HydrophobicContact CD1-CZ 4.35Å; L273-F391 HydrophobicContact CD2-CZ 4.1Å; I276-F391 HydrophobicContact CG2-CE2 4.32Å; L277-F391 HydrophobicContact CD1-CD1 4.32Å; L277-F391 HydrophobicContact CD1-CE1 3.79Å; L277-F391 HydrophobicContact CD1-CE2 4.16Å; L277-F391 HydrophobicContact CD1-CZ 3.7Å; L277-F391 HydrophobicContact CD2-CD2 3.58Å; L277-F391 HydrophobicContact CD2-CE1 4.47Å; L277-F391 HydrophobicContact CD2-CE2 3.53Å; L277-F391 HydrophobicContact CD2-CG 4.11Å; L277-F391 HydrophobicContact CD2-CZ 4Å; L277-F391 HydrophobicContact CG-CD2 4.41Å; L277-F391 HydrophobicContact CG-CE1 4.45Å; L277-F391 HydrophobicContact CG-CE2 3.91Å; L277-F391 HydrophobicContact CG-CZ 3.92Å; L316-F391 PolarHBondContact O-N 2.98Å; Y317-F391 CarbonylContact C-O 3.33Å; Y317-F391 WeakPolarHBondContact CA-O 3.3Å; Y317-F391 AromaticContact CD2-CD1 3.97Å; Y317-F391 HydrophobicContact CD2-CD1 3.97Å; Y317-F391 WeakPolarHBondContact CD2-O 3.43Å; Y317-F391 HydrophobicContact CE2-CD1 4.07Å; A318-F391 PolarHBondContact N-O 2.91Å; F389-F391 HydrophobicContact CE1-CB 3.89Å; F389-F391 HydrophobicContact CZ-CB 4.11Å; F389-F391 HydrophobicContact CZ-CD2 4.19Å; F391-I393 HydrophobicContact CD1-CD1 4.17Å; F391-I393 HydrophobicContact CD1-CG1 3.98Å; F391-I393 HydrophobicContact CE1-CD1 3.5Å; F391-I393 HydrophobicContact CE1-CG1 3.56Å; F391-I393 HydrophobicContact CZ-CD1 3.92Å; F391-I393 HydrophobicContact CZ-CG1 4.44Å
392	Q	95.3	Very high	85.1	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	130	-177	-177.6	178.3	58.5	0	0	109.7	Y227 F228 L229 G230 A318 H371 V375 H394	Y227-Q392 HydrophobicContact CE2-CB 3.9Å; Y227-Q392 PolarHBondContact OH-OE1 3.3Å; F228-Q392 PolarHBondContact O-N 3.23Å; L229-Q392 VanDerWaalsContact CD1-OE1 3.3Å; G230-Q392 WeakPolarHBondContact CA-O 3.24Å; G230-Q392 PolarHBondContact N-O 3.22Å; A318-Q392 HydrophobicContact CB-CB 4.45Å; A318-Q392 HydrophobicContact CB-CG 4.25Å; A318-Q392 CarbonylContact O-C 3.58Å; A318-Q392 VanDerWaalsContact O-CA 3.3Å; A318-Q392 WeakPolarHBondContact O-CA 3.46Å; H371-Q392 VanDerWaalsContact C-NE2 3.28Å; H371-Q392 PolarHBondContact CD2-NE2 3.41Å; H371-Q392 WeakPolarHBondContact NE2-CG 3.42Å; H371-Q392 PolarHBondContact O-NE2 3.09Å; V375-Q392 HydrophobicContact CG2-CB 4.1Å; V375-Q392 HydrophobicContact CG2-CG 4.28Å; V375-Q392 VanDerWaalsContact CG2-NE2 3.31Å; Q392-H394 PolarHBondContact OE1-NE2 3.41Å
393	I	92.8	Very high	84.9	Confident	8 Å²	8	27 Å²	27	4%	0.041	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	123	177.7	-55.1	-63.1	0	0	0	109.3	D232 L273 A318 E319 H371 F391 V395	D232-I393 HydrophobicContact CB-CG2 4.45Å; L273-I393 HydrophobicContact CD1-CD1 3.94Å; L273-I393 HydrophobicContact CD1-CG1 3.92Å; L273-I393 HydrophobicContact CD2-CD1 4.23Å; A318-I393 PolarHBondContact O-N 3.41Å; E319-I393 WeakPolarHBondContact CA-O 2.93Å; E319-I393 HydrophobicContact CG-CB 4.31Å; H371-I393 PolarHBondContact CE1-O 2.89Å; H371-I393 VanDerWaalsContact CE1-O 3.27Å; F391-I393 HydrophobicContact CD1-CD1 4.17Å; F391-I393 HydrophobicContact CD1-CG1 3.98Å; F391-I393 HydrophobicContact CE1-CD1 3.5Å; F391-I393 HydrophobicContact CE1-CG1 3.56Å; F391-I393 HydrophobicContact CZ-CD1 3.92Å; F391-I393 HydrophobicContact CZ-CG1 4.44Å; I393-V395 HydrophobicContact CG2-CG2 4.15Å
394	H	91	Very high	84.9	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	115.8	171.2	-67.8	-93.8	0	0	0	110.8	G230 F231 D232 D320 H371 L372 Q392 Y397	G230-H394 PolarHBondContact O-N 3.36Å; F231-H394 CarbonylContact C-O 3.51Å; F231-H394 WeakPolarHBondContact CA-O 3.49Å; F231-H394 HydrophobicContact CD1-CB 3.8Å; F231-H394 HydrophobicContact CE1-CB 4.13Å; F231-H394 AromaticContact CE1-CD2 3.99Å; F231-H394 HydrophobicContact CG-CB 4.46Å; D232-H394 PolarHBondContact N-O 3.24Å; D320-H394 IonicContact OD2-ND1 3.27Å; H371-H394 AromaticContact CG-CE1 3.52Å; H371-H394 AromaticContact CG-ND1 3.87Å; H371-H394 AromaticContact ND1-CE1 3.51Å; H371-H394 AromaticContact ND1-ND1 3.37Å; H371-H394 PolarHBondContact ND1-ND1 3.27Å; L372-H394 WeakPolarHBondContact CD2-NE2 3.42Å; Q392-H394 PolarHBondContact OE1-NE2 3.41Å; H394-Y397 HydrophobicContact CB-CD2 3.91Å; H394-Y397 AromaticContact ND1-CD2 3.91Å; H394-Y397 AromaticContact ND1-CE2 3.82Å
395	V	86.3	Confident	85.2	Confident	1 Å²	1	20.4 Å²	20.4	1%	0.006	9%	0.094	C	C	.	.			trans	-99.2	-40.8	175.5	-172.4	0	0	0	0	110.5	D232 E319 D320 V321 I324 I393 Y397 S398 H399	D232-V395 HydrophobicContact CB-CB 4.46Å; D232-V395 HydrophobicContact CB-CG1 4.46Å; D232-V395 HydrophobicContact CB-CG2 4.17Å; E319-V395 HydrophobicContact CG-CG2 4.07Å; D320-V395 VanDerWaalsContact OD1-CA 3.32Å; D320-V395 WeakPolarHBondContact OD1-CA 3.44Å; D320-V395 VanDerWaalsContact OD1-CB 3.25Å; D320-V395 WeakPolarHBondContact OD1-CB 3.34Å; D320-V395 PolarHBondContact OD1-N 3.1Å; V321-V395 HydrophobicContact CB-CB 4.42Å; V321-V395 HydrophobicContact CG2-CB 4.25Å; I324-V395 HydrophobicContact CD1-CG1 3.52Å; I324-V395 HydrophobicContact CG1-CG1 4.24Å; I393-V395 HydrophobicContact CG2-CG2 4.15Å; V395-Y397 PolarHBondContact O-N 3.47Å; V395-Y397 VanDerWaalsContact O-N 3.07Å; V395-S398 PolarHBondContact O-N 3.17Å; V395-H399 HydrophobicContact CG1-CB 3.76Å; V395-H399 VanDerWaalsContact O-CB 3.3Å; V395-H399 WeakPolarHBondContact O-CB 3.31Å; V395-H399 PolarHBondContact O-N 3.17Å
396	G	82.4	Confident	85.7	Confident	4 Å²	4	16.4 Å²	16.4	4%	0.041	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-24.5	-171.7	0	0	0	0	0	115.3	D320 N358 Y368	D320-G396 PolarHBondContact OD1-N 3.26Å; N358-G396 PolarHBondContact ND2-O 3.41Å; N358-G396 VanDerWaalsContact ND2-O 3.14Å; Y368-G396 VanDerWaalsContact OH-C 3.25Å; Y368-G396 PolarHBondContact OH-O 3.08Å
397	Y	81.9	Confident	86	Confident	4 Å²	4	16.5 Å²	16.5	2%	0.016	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-38.7	-178.9	-91.1	-61.3	0	0	0	114.3	F231 Y368 H394 V395 R404 A405 L407 A408	F231-Y397 HydrophobicContact CD1-CD2 4.06Å; F231-Y397 AromaticContact CE1-CD2 3.88Å; F231-Y397 HydrophobicContact CE1-CD2 3.88Å; F231-Y397 HydrophobicContact CE1-CE2 4.1Å; Y368-Y397 WeakPolarHBondContact CB-OH 3.28Å; Y368-Y397 HydrophobicContact CD1-CD1 4.34Å; Y368-Y397 AromaticContact CD1-CD2 3.89Å; Y368-Y397 HydrophobicContact CD1-CD2 3.89Å; Y368-Y397 HydrophobicContact CD1-CE1 4.18Å; Y368-Y397 AromaticContact CD1-CE2 3.72Å; Y368-Y397 HydrophobicContact CD1-CE2 3.72Å; Y368-Y397 HydrophobicContact CD1-CG 4.2Å; Y368-Y397 AromaticContact CD1-CZ 3.89Å; Y368-Y397 HydrophobicContact CD2-CD1 4.02Å; Y368-Y397 AromaticContact CD2-CE1 3.41Å; Y368-Y397 HydrophobicContact CD2-CE1 3.41Å; Y368-Y397 VanDerWaalsContact CD2-CE1 3.41Å; Y368-Y397 HydrophobicContact CD2-CE2 4.28Å; Y368-Y397 AromaticContact CD2-CZ 3.58Å; Y368-Y397 HydrophobicContact CE1-CD1 4.26Å; Y368-Y397 HydrophobicContact CE1-CD2 4.22Å; Y368-Y397 HydrophobicContact CE1-CE1 4.48Å; Y368-Y397 HydrophobicContact CE1-CE2 4.45Å; Y368-Y397 HydrophobicContact CE1-CG 4.13Å; Y368-Y397 AromaticContact CE2-CD1 3.92Å; Y368-Y397 HydrophobicContact CE2-CD1 3.92Å; Y368-Y397 AromaticContact CE2-CE1 3.76Å; Y368-Y397 HydrophobicContact CE2-CE1 3.76Å; Y368-Y397 HydrophobicContact CG-CD1 4.22Å; Y368-Y397 HydrophobicContact CG-CD2 4.19Å; Y368-Y397 AromaticContact CG-CE1 3.64Å; Y368-Y397 HydrophobicContact CG-CE1 3.64Å; Y368-Y397 AromaticContact CG-CE2 3.61Å; Y368-Y397 HydrophobicContact CG-CE2 3.61Å; Y368-Y397 HydrophobicContact CG-CG 4.47Å; Y368-Y397 AromaticContact CG-CZ 3.31Å; H394-Y397 HydrophobicContact CB-CD2 3.91Å; H394-Y397 AromaticContact ND1-CD2 3.91Å; H394-Y397 AromaticContact ND1-CE2 3.82Å; V395-Y397 PolarHBondContact O-N 3.47Å; V395-Y397 VanDerWaalsContact O-N 3.07Å; Y397-R404 CarbonylContact O-C 3.6Å; Y397-R404 VanDerWaalsContact O-C 3.31Å; Y397-R404 WeakPolarHBondContact O-CB 3.36Å; Y397-A405 PolarHBondContact O-N 3.41Å; Y397-L407 HydrophobicContact CD1-CB 4.32Å; Y397-L407 HydrophobicContact CE1-CB 3.92Å; Y397-A408 HydrophobicContact CD1-CB 3.9Å; Y397-A408 HydrophobicContact CD2-CB 3.92Å; Y397-A408 HydrophobicContact CE1-CB 3.67Å; Y397-A408 HydrophobicContact CE2-CB 3.68Å; Y397-A408 HydrophobicContact CG-CB 4.02Å
398	S	77	Confident	86.1	Confident	2 Å²	2	14.6 Å²	14.6	1%	0.014	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133	-18.1	-163.2	31.5	0	0	0	0	114.9	D232 S233 V395 D400 D401 F402	D232-S398 PolarHBondContact O-OG 2.97Å; S233-S398 PolarHBondContact N-OG 3.16Å; S233-S398 VanDerWaalsContact N-OG 3.1Å; V395-S398 PolarHBondContact O-N 3.17Å; S398-D400 PolarHBondContact O-N 3.34Å; S398-D401 CarbonylContact O-C 3.55Å; S398-D401 VanDerWaalsContact O-C 3.24Å; S398-D401 PolarHBondContact O-N 2.89Å; S398-F402 PolarHBondContact O-N 3.37Å
399	H	70.7	Confident	86.2	Confident	26 Å²	26	15.5 Å²	15.5	12%	0.12	7%	0.074	C	C	.	.	S	Bend	trans	-57.5	-44.5	-173.5	-174.8	-78.1	0	0	0	113.1	D232 I324 V395	D232-H399 PolarHBondContact O-N 3.09Å; I324-H399 HydrophobicContact CD1-CB 4.3Å; V395-H399 HydrophobicContact CG1-CB 3.76Å; V395-H399 VanDerWaalsContact O-CB 3.3Å; V395-H399 WeakPolarHBondContact O-CB 3.31Å; V395-H399 PolarHBondContact O-N 3.17Å
400	D	72.5	Confident	86.2	Confident	38 Å²	38	17.5 Å²	17.5	20%	0.203	10%	0.095	C	C	.	.	S	Bend	trans	-88.7	-26.7	-178.9	-55.5	-29.7	0	0	0	112.8	Y357 S398	Y357-D400 WeakPolarHBondContact CE1-OD2 3.17Å; S398-D400 PolarHBondContact O-N 3.34Å
401	D	76.3	Confident	86	Confident	26 Å²	26	19.1 Å²	19.1	14%	0.139	11%	0.105	C	C	.	.			trans	-153.2	105.1	177.7	174.9	14	0	0	0	109.7	S398 N403 R404	S398-D401 CarbonylContact O-C 3.55Å; S398-D401 VanDerWaalsContact O-C 3.24Å; S398-D401 PolarHBondContact O-N 2.89Å; D401-N403 PolarHBondContact O-N 2.7Å; D401-N403 WeakPolarHBondContact OD1-CB 3.31Å; D401-N403 PolarHBondContact OD1-N 3.1Å; D401-N403 PolarHBondContact OD1-ND2 2.84Å; D401-R404 HydrophobicContact CB-CG 4.16Å; D401-R404 WeakPolarHBondContact O-CB 3.42Å; D401-R404 PolarHBondContact O-N 2.61Å
402	F	76	Confident	85.8	Confident	9 Å²	9	19.1 Å²	19.1	4%	0.039	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-59.9	-18.6	179.4	64.4	-103.9	0	0	0	112.9	L115 F116 S398 R404 A405 F466 E470	L115-F402 HydrophobicContact CB-CZ 3.95Å; L115-F402 WeakPolarHBondContact O-CZ 3.22Å; F116-F402 HydrophobicContact CD1-CD2 4.13Å; F116-F402 AromaticContact CD1-CE2 3.6Å; F116-F402 HydrophobicContact CD1-CE2 3.6Å; F116-F402 AromaticContact CE1-CD2 3.74Å; F116-F402 HydrophobicContact CE1-CD2 3.74Å; F116-F402 AromaticContact CE1-CE2 3.46Å; F116-F402 HydrophobicContact CE1-CE2 3.46Å; F116-F402 VanDerWaalsContact CE1-CE2 3.46Å; F116-F402 HydrophobicContact CE1-CZ 4.47Å; F116-F402 HydrophobicContact CG-CE2 4.21Å; F116-F402 HydrophobicContact CZ-CD2 4.43Å; F116-F402 AromaticContact CZ-CE2 3.97Å; F116-F402 HydrophobicContact CZ-CE2 3.97Å; S398-F402 PolarHBondContact O-N 3.37Å; F402-R404 VanDerWaalsContact C-N 3.29Å; F402-R404 PolarHBondContact O-N 3.32Å; F402-A405 WeakPolarHBondContact O-CB 3.34Å; F402-A405 PolarHBondContact O-N 3.01Å; F402-F466 HydrophobicContact CD1-CB 4.18Å; F402-F466 HydrophobicContact CE1-CB 3.83Å; F402-F466 AromaticContact CE1-CD1 3.99Å; F402-F466 HydrophobicContact CE1-CD1 3.99Å; F402-F466 HydrophobicContact CE1-CG 4.32Å; F402-F466 HydrophobicContact CZ-CD1 4.31Å; F402-E470 HydrophobicContact CE1-CG 4.43Å
403	N	84.5	Confident	85.8	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-69.5	-28.7	176.8	-66.3	-78.4	0	0	0	112.4	L115 F116 H117 V119 K242 D401 A405 E406	L115-N403 PolarHBondContact O-ND2 3.13Å; F116-N403 WeakPolarHBondContact CA-OD1 3.46Å; H117-N403 VanDerWaalsContact CE1-CG 3.5Å; H117-N403 PolarHBondContact CE1-ND2 2.62Å; H117-N403 PolarHBondContact N-OD1 3.1Å; H117-N403 PolarHBondContact ND1-ND2 3Å; H117-N403 PolarHBondContact O-OD1 3.25Å; H117-N403 VanDerWaalsContact O-OD1 3.13Å; V119-N403 HydrophobicContact CG2-CB 3.63Å; V119-N403 WeakPolarHBondContact CG2-O 3.42Å; K242-N403 WeakPolarHBondContact CE-OD1 3.3Å; K242-N403 PolarHBondContact NZ-O 2.99Å; K242-N403 PolarHBondContact NZ-OD1 2.97Å; D401-N403 PolarHBondContact O-N 2.7Å; D401-N403 WeakPolarHBondContact OD1-CB 3.31Å; D401-N403 PolarHBondContact OD1-N 3.1Å; D401-N403 PolarHBondContact OD1-ND2 2.84Å; N403-A405 PolarHBondContact O-N 3.25Å; N403-E406 WeakPolarHBondContact O-CB 3.21Å; N403-E406 PolarHBondContact O-N 2.75Å
404	R	85.2	Confident	85.8	Confident	86 Å²	86	24.6 Å²	24.6	33%	0.325	13%	0.131	S	C	.	.	G	3₁₀ helix	trans	-67.3	-13.7	176.5	-73	177.5	-175.5	-169.8	0.2	113.3	V119 Y397 D401 F402 E406 L407	V119-R404 HydrophobicContact CG1-CG 4.17Å; V119-R404 HydrophobicContact CG2-CG 4.4Å; Y397-R404 CarbonylContact O-C 3.6Å; Y397-R404 VanDerWaalsContact O-C 3.31Å; Y397-R404 WeakPolarHBondContact O-CB 3.36Å; D401-R404 HydrophobicContact CB-CG 4.16Å; D401-R404 WeakPolarHBondContact O-CB 3.42Å; D401-R404 PolarHBondContact O-N 2.61Å; F402-R404 VanDerWaalsContact C-N 3.29Å; F402-R404 PolarHBondContact O-N 3.32Å; R404-E406 PolarHBondContact O-N 2.69Å; R404-E406 VanDerWaalsContact O-N 3.09Å; R404-L407 VanDerWaalsContact O-CB 3.29Å; R404-L407 WeakPolarHBondContact O-CB 3.32Å; R404-L407 WeakPolarHBondContact O-CG 3.39Å; R404-L407 PolarHBondContact O-N 2.88Å
405	A	86.8	Confident	85.8	Confident	2 Å²	2	24.6 Å²	24.6	2%	0.017	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-54.6	-26.3	168.8	0	0	0	0	0	112.4	V234 K242 L243 Y397 F402 N403 L407 A408	V234-A405 HydrophobicContact CG2-CB 3.76Å; K242-A405 HydrophobicContact CB-CB 4.23Å; L243-A405 HydrophobicContact CD1-CB 3.77Å; L243-A405 VanDerWaalsContact CD1-O 3.24Å; L243-A405 WeakPolarHBondContact CD1-O 3.12Å; Y397-A405 PolarHBondContact O-N 3.41Å; F402-A405 WeakPolarHBondContact O-CB 3.34Å; F402-A405 PolarHBondContact O-N 3.01Å; N403-A405 PolarHBondContact O-N 3.25Å; A405-L407 PolarHBondContact O-N 2.76Å; A405-A408 WeakPolarHBondContact O-CB 3.42Å; A405-A408 PolarHBondContact O-N 3.13Å
406	E	90.5	Very high	86.1	Confident	60 Å²	60	24.8 Å²	24.8	28%	0.28	13%	0.133	S	C	.	.	G	3₁₀ helix	trans	-57.1	-30.6	173.2	-173.1	174	-142.9	0	0	112.8	S118 V119 K242 N403 R404 A408 D409	S118-E406 WeakPolarHBondContact CA-OE2 3.26Å; S118-E406 PolarHBondContact OG-OE1 3Å; S118-E406 VanDerWaalsContact OG-OE1 3.08Å; V119-E406 PolarHBondContact N-OE2 3.4Å; K242-E406 HydrophobicContact CD-CB 3.99Å; K242-E406 IonicContact NZ-OE2 2.61Å; K242-E406 WeakPolarHBondContact O-CA 3.37Å; N403-E406 WeakPolarHBondContact O-CB 3.21Å; N403-E406 PolarHBondContact O-N 2.75Å; R404-E406 PolarHBondContact O-N 2.69Å; R404-E406 VanDerWaalsContact O-N 3.09Å; E406-A408 PolarHBondContact O-N 3.37Å; E406-D409 WeakPolarHBondContact O-CB 3.33Å; E406-D409 PolarHBondContact O-N 3.36Å
407	L	90.7	Very high	86.5	Confident	39 Å²	39	28.9 Å²	28.9	20%	0.204	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-69.5	-16.4	177.5	-58.1	179.3	0	0	0	113	V119 A120 Y397 R404 A405 P411	V119-L407 HydrophobicContact CG1-CD1 4.34Å; V119-L407 HydrophobicContact CG1-CG 4.49Å; A120-L407 WeakPolarHBondContact O-CD2 3.16Å; Y397-L407 HydrophobicContact CD1-CB 4.32Å; Y397-L407 HydrophobicContact CE1-CB 3.92Å; R404-L407 VanDerWaalsContact O-CB 3.29Å; R404-L407 WeakPolarHBondContact O-CB 3.32Å; R404-L407 WeakPolarHBondContact O-CG 3.39Å; R404-L407 PolarHBondContact O-N 2.88Å; A405-L407 PolarHBondContact O-N 2.76Å; L407-P411 WeakPolarHBondContact O-CD 3.5Å
408	A	90.7	Very high	86.9	Confident	0 Å²	0	30 Å²	30	0%	0	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-84.8	-16	176.4	0	0	0	0	0	112.9	F231 L243 Y397 A405 E406 T412	F231-A408 HydrophobicContact CD1-CB 4.45Å; F231-A408 HydrophobicContact CE1-CB 3.75Å; F231-A408 HydrophobicContact CZ-CB 4.43Å; L243-A408 HydrophobicContact CD2-CB 4.17Å; Y397-A408 HydrophobicContact CD1-CB 3.9Å; Y397-A408 HydrophobicContact CD2-CB 3.92Å; Y397-A408 HydrophobicContact CE1-CB 3.67Å; Y397-A408 HydrophobicContact CE2-CB 3.68Å; Y397-A408 HydrophobicContact CG-CB 4.02Å; A405-A408 WeakPolarHBondContact O-CB 3.42Å; A405-A408 PolarHBondContact O-N 3.13Å; E406-A408 PolarHBondContact O-N 3.37Å; A408-T412 WeakPolarHBondContact O-CB 3.33Å; A408-T412 PolarHBondContact O-N 3.27Å; A408-T412 PolarHBondContact O-OG1 3.4Å
409	D	93.4	Very high	87.3	Confident	19 Å²	19	30.1 Å²	30.1	10%	0.102	15%	0.154	C	C	.	.	H	α-helix	trans	-60.5	-60	-167.6	-163.5	15.9	0	0	0	112.5	L243 K244 E245 T246 E406 T412 V413	L243-D409 VanDerWaalsContact CA-OD1 3.29Å; L243-D409 WeakPolarHBondContact CA-OD1 3.48Å; L243-D409 HydrophobicContact CB-CB 4.38Å; L243-D409 HydrophobicContact CG-CB 4.29Å; K244-D409 PolarHBondContact N-OD2 3.35Å; E245-D409 PolarHBondContact N-OD1 3.4Å; E245-D409 PolarHBondContact N-OD2 3.06Å; T246-D409 VanDerWaalsContact CB-OD1 3.29Å; T246-D409 WeakPolarHBondContact CB-OD1 3.22Å; T246-D409 PolarHBondContact N-OD1 3.16Å; T246-D409 PolarHBondContact OG1-O 3.23Å; T246-D409 PolarHBondContact OG1-OD1 2.82Å; E406-D409 WeakPolarHBondContact O-CB 3.33Å; E406-D409 PolarHBondContact O-N 3.36Å; D409-T412 PolarHBondContact O-N 2.81Å; D409-V413 WeakPolarHBondContact O-CG2 3.24Å; D409-V413 PolarHBondContact O-N 3.41Å; D409-V413 VanDerWaalsContact O-N 3.1Å
410	G	93.4	Very high	87.8	Confident	42 Å²	42	33.2 Å²	33.2	43%	0.433	17%	0.169	S	C	.	.	H	α-helix	trans	-58.6	-53.5	178	0	0	0	0	0	113.4	T412 V413 E414	G410-T412 VanDerWaalsContact C-N 3.28Å; G410-T412 PolarHBondContact O-N 3.1Å; G410-V413 WeakPolarHBondContact O-CB 2.95Å; G410-V413 PolarHBondContact O-N 3.39Å; G410-E414 PolarHBondContact O-N 3.19Å; G410-E414 VanDerWaalsContact O-N 3.13Å
411	P	92.6	Very high	87.6	Confident	35 Å²	35	34.3 Å²	34.3	23%	0.227	19%	0.189	C	C	.	.	H	α-helix	trans	-56.3	-38.5	177.5	-28.5	36.5	0	0	0	114	L372 L407 E414 H415	L372-P411 HydrophobicContact CD1-CB 3.94Å; L407-P411 WeakPolarHBondContact O-CD 3.5Å; P411-E414 PolarHBondContact O-N 2.92Å; P411-H415 WeakPolarHBondContact O-CB 3.31Å; P411-H415 PolarHBondContact O-N 2.87Å
412	T	92.6	Very high	86.9	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-68.1	-39.3	178.8	-56.1	0	0	0	0	111.3	L229 F231 T246 A408 D409 G410 H415 L416	L229-T412 HydrophobicContact CD2-CG2 4.02Å; F231-T412 HydrophobicContact CE2-CG2 4.42Å; F231-T412 HydrophobicContact CZ-CG2 4.19Å; F231-T412 WeakPolarHBondContact CZ-OG1 3.47Å; T246-T412 HydrophobicContact CG2-CG2 3.56Å; A408-T412 WeakPolarHBondContact O-CB 3.33Å; A408-T412 PolarHBondContact O-N 3.27Å; A408-T412 PolarHBondContact O-OG1 3.4Å; D409-T412 PolarHBondContact O-N 2.81Å; G410-T412 VanDerWaalsContact C-N 3.28Å; G410-T412 PolarHBondContact O-N 3.1Å; T412-H415 PolarHBondContact O-N 3.33Å; T412-L416 HydrophobicContact CG2-CD1 4.3Å; T412-L416 HydrophobicContact CG2-CG 4.44Å; T412-L416 VanDerWaalsContact O-CG 3.29Å; T412-L416 WeakPolarHBondContact O-CG 3.46Å; T412-L416 PolarHBondContact O-N 3.23Å
413	V	93.7	Very high	86.2	Confident	13 Å²	13	41.2 Å²	41.2	8%	0.079	21%	0.213	C	C	.	.	H	α-helix	trans	-59.4	-47.8	173.6	170.4	0	0	0	0	111.3	E245 H249 D409 G410 H415 L416 K417	E245-V413 HydrophobicContact CB-CG2 4Å; H249-V413 HydrophobicContact CB-CG2 4.35Å; D409-V413 WeakPolarHBondContact O-CG2 3.24Å; D409-V413 PolarHBondContact O-N 3.41Å; D409-V413 VanDerWaalsContact O-N 3.1Å; G410-V413 WeakPolarHBondContact O-CB 2.95Å; G410-V413 PolarHBondContact O-N 3.39Å; V413-H415 VanDerWaalsContact C-N 3.32Å; V413-H415 PolarHBondContact O-N 3.02Å; V413-L416 PolarHBondContact O-N 3.03Å; V413-K417 HydrophobicContact CG1-CD 4.22Å; V413-K417 WeakPolarHBondContact O-CG 3.46Å; V413-K417 PolarHBondContact O-N 3.45Å
414	E	93	Very high	84.9	Confident	110 Å²	110	43.6 Å²	43.6	51%	0.514	23%	0.23	S	C	.	.	H	α-helix	trans	-63.5	-39.7	179.2	-65.8	-52.6	126.2	0	0	112	G410 P411 L416 K417 F418	G410-E414 PolarHBondContact O-N 3.19Å; G410-E414 VanDerWaalsContact O-N 3.13Å; P411-E414 PolarHBondContact O-N 2.92Å; E414-L416 PolarHBondContact O-N 2.02Å; E414-K417 PolarHBondContact O-N 2.79Å; E414-K417 IonicContact OE1-NZ 2.73Å; E414-K417 PolarHBondContact OE1-NZ 2.92Å; E414-F418 PolarHBondContact O-N 3.31Å
415	H	92.6	Very high	83.7	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-61.4	-42.4	173.9	-172.6	68.8	0	0	0	112.4	Y227 L372 E376 P411 T412 V413 F418 F419	Y227-H415 AromaticContact CE1-NE2 3.45Å; Y227-H415 WeakPolarHBondContact CE1-NE2 3.41Å; Y227-H415 AromaticContact CZ-NE2 3.52Å; Y227-H415 PolarHBondContact OH-NE2 3.07Å; L372-H415 HydrophobicContact CD1-CB 4.33Å; L372-H415 HydrophobicContact CD2-CB 4.23Å; L372-H415 PolarHBondContact O-CE1 3.16Å; L372-H415 VanDerWaalsContact O-CE1 3.27Å; E376-H415 WeakPolarHBondContact CG-ND1 3.5Å; E376-H415 IonicContact OE1-CE1 3.99Å; E376-H415 IonicContact OE1-CG 3.59Å; E376-H415 IonicContact OE1-ND1 3.08Å; E376-H415 PolarHBondContact OE1-ND1 2.89Å; P411-H415 WeakPolarHBondContact O-CB 3.31Å; P411-H415 PolarHBondContact O-N 2.87Å; T412-H415 PolarHBondContact O-N 3.33Å; V413-H415 VanDerWaalsContact C-N 3.32Å; V413-H415 PolarHBondContact O-N 3.02Å; H415-F418 WeakPolarHBondContact O-CB 3.39Å; H415-F418 PolarHBondContact O-N 3.09Å; H415-F419 AromaticContact CD2-CE2 4Å; H415-F419 AromaticContact CE1-CE2 3.59Å; H415-F419 AromaticContact NE2-CE2 3.47Å; H415-F419 WeakPolarHBondContact NE2-CE2 3.24Å; H415-F419 VanDerWaalsContact O-CD2 3.23Å; H415-F419 WeakPolarHBondContact O-CD2 3.43Å
416	L	91.8	Very high	82.7	Confident	5 Å²	5	41.7 Å²	41.7	3%	0.026	23%	0.225	C	C	.	.	H	α-helix	trans	-67.7	-38.5	176.8	-68.7	175.8	0	0	0	112.5	T246 I250 L254 T412 V413 E414 F418 F419 Q420 I430	T246-L416 HydrophobicContact CG2-CD1 4.09Å; I250-L416 HydrophobicContact CD1-CD1 4.29Å; I250-L416 HydrophobicContact CG1-CD1 3.8Å; L254-L416 HydrophobicContact CD1-CB 4.05Å; L254-L416 HydrophobicContact CD1-CD1 4.21Å; T412-L416 HydrophobicContact CG2-CD1 4.3Å; T412-L416 HydrophobicContact CG2-CG 4.44Å; T412-L416 VanDerWaalsContact O-CG 3.29Å; T412-L416 WeakPolarHBondContact O-CG 3.46Å; T412-L416 PolarHBondContact O-N 3.23Å; V413-L416 PolarHBondContact O-N 3.03Å; E414-L416 PolarHBondContact O-N 2.02Å; L416-F418 VanDerWaalsContact C-N 3.29Å; L416-F418 PolarHBondContact O-N 3.1Å; L416-F419 PolarHBondContact O-N 3.47Å; L416-F419 VanDerWaalsContact O-N 3.12Å; L416-Q420 PolarHBondContact O-N 2.8Å; L416-I430 HydrophobicContact CD1-CD1 3.94Å; L416-I430 HydrophobicContact CD2-CD1 3.8Å
417	K	91.4	Very high	81.7	Confident	89 Å²	89	38.8 Å²	38.8	39%	0.387	21%	0.212	S	C	.	.	H	α-helix	trans	-61	-37.4	173.9	-73.2	173.6	-176.5	166.6	0	112.3	V413 E414 F419 Q420 G421	V413-K417 HydrophobicContact CG1-CD 4.22Å; V413-K417 WeakPolarHBondContact O-CG 3.46Å; V413-K417 PolarHBondContact O-N 3.45Å; E414-K417 PolarHBondContact O-N 2.79Å; E414-K417 IonicContact OE1-NZ 2.73Å; E414-K417 PolarHBondContact OE1-NZ 2.92Å; K417-F419 PolarHBondContact O-N 3.11Å; K417-Q420 PolarHBondContact O-N 2.96Å; K417-G421 PolarHBondContact O-N 3.44Å
418	F	89.6	Confident	81	Confident	29 Å²	29	37.7 Å²	37.7	13%	0.127	21%	0.205	C	C	.	.	H	α-helix	trans	-54.9	-41.4	174.2	170.2	-88	0	0	0	111.7	E376 T380 E414 H415 L416 R422 Y423	E376-F418 HydrophobicContact CB-CD1 4.22Å; E376-F418 HydrophobicContact CB-CE1 3.73Å; E376-F418 HydrophobicContact CB-CE2 4.1Å; E376-F418 HydrophobicContact CB-CZ 3.63Å; E376-F418 HydrophobicContact CG-CD1 3.78Å; E376-F418 HydrophobicContact CG-CD2 4.4Å; E376-F418 HydrophobicContact CG-CE1 3.81Å; E376-F418 HydrophobicContact CG-CE2 4.41Å; E376-F418 HydrophobicContact CG-CG 4.09Å; E376-F418 HydrophobicContact CG-CZ 4.1Å; T380-F418 HydrophobicContact CG2-CE2 4.18Å; T380-F418 HydrophobicContact CG2-CZ 3.65Å; E414-F418 PolarHBondContact O-N 3.31Å; H415-F418 WeakPolarHBondContact O-CB 3.39Å; H415-F418 PolarHBondContact O-N 3.09Å; L416-F418 VanDerWaalsContact C-N 3.29Å; L416-F418 PolarHBondContact O-N 3.1Å; F418-R422 PolarHBondContact O-N 2.95Å; F418-Y423 HydrophobicContact CD1-CD2 4.27Å; F418-Y423 AromaticContact CE1-CD2 3.66Å; F418-Y423 HydrophobicContact CE1-CD2 3.66Å; F418-Y423 AromaticContact CE1-CE2 3.66Å; F418-Y423 HydrophobicContact CE1-CE2 3.66Å; F418-Y423 HydrophobicContact CE2-CE2 4.25Å; F418-Y423 AromaticContact CZ-CD2 3.99Å; F418-Y423 HydrophobicContact CZ-CD2 3.99Å; F418-Y423 AromaticContact CZ-CE2 3.49Å; F418-Y423 HydrophobicContact CZ-CE2 3.49Å; F418-Y423 VanDerWaalsContact CZ-CE2 3.49Å
419	F	86.4	Confident	80.5	Confident	3 Å²	3	37.8 Å²	37.8	1%	0.013	21%	0.205	C	C	.	.	H	α-helix	trans	-76.3	-34.9	177.3	-73.5	-72.2	0	0	0	114.2	Y227 V375 F379 H415 L416 K417 G421 Y423 S424 Y428	Y227-F419 HydrophobicContact CD1-CD2 4.47Å; Y227-F419 HydrophobicContact CD1-CE1 4.46Å; Y227-F419 AromaticContact CD1-CE2 3.98Å; Y227-F419 HydrophobicContact CD1-CE2 3.98Å; Y227-F419 AromaticContact CD1-CZ 3.98Å; Y227-F419 HydrophobicContact CD1-CZ 3.98Å; Y227-F419 HydrophobicContact CE1-CD2 4.26Å; Y227-F419 AromaticContact CE1-CE2 3.59Å; Y227-F419 HydrophobicContact CE1-CE2 3.59Å; Y227-F419 AromaticContact CE1-CZ 3.9Å; Y227-F419 HydrophobicContact CE1-CZ 3.9Å; V375-F419 HydrophobicContact CG1-CZ 4.19Å; F379-F419 HydrophobicContact CB-CE1 4.03Å; F379-F419 HydrophobicContact CD1-CD1 4.41Å; F379-F419 AromaticContact CD1-CE1 3.67Å; F379-F419 HydrophobicContact CD1-CE1 3.67Å; F379-F419 AromaticContact CD2-CE1 3.78Å; F379-F419 HydrophobicContact CD2-CE1 3.78Å; F379-F419 AromaticContact CD2-CZ 3.99Å; F379-F419 HydrophobicContact CD2-CZ 3.99Å; F379-F419 AromaticContact CE1-CE1 3.96Å; F379-F419 HydrophobicContact CE1-CE1 3.96Å; F379-F419 HydrophobicContact CE2-CE1 4.07Å; F379-F419 HydrophobicContact CE2-CZ 4.27Å; F379-F419 AromaticContact CG-CE1 3.57Å; F379-F419 HydrophobicContact CG-CE1 3.57Å; F379-F419 HydrophobicContact CG-CZ 4.19Å; F379-F419 HydrophobicContact CZ-CE1 4.16Å; H415-F419 AromaticContact CD2-CE2 4Å; H415-F419 AromaticContact CE1-CE2 3.59Å; H415-F419 AromaticContact NE2-CE2 3.47Å; H415-F419 WeakPolarHBondContact NE2-CE2 3.24Å; H415-F419 VanDerWaalsContact O-CD2 3.23Å; H415-F419 WeakPolarHBondContact O-CD2 3.43Å; L416-F419 PolarHBondContact O-N 3.47Å; L416-F419 VanDerWaalsContact O-N 3.12Å; K417-F419 PolarHBondContact O-N 3.11Å; F419-G421 VanDerWaalsContact C-N 3.26Å; F419-G421 PolarHBondContact O-N 2.94Å; F419-Y423 CarbonylContact O-C 3.59Å; F419-Y423 PolarHBondContact O-N 3.04Å; F419-S424 PolarHBondContact O-N 2.97Å; F419-Y428 HydrophobicContact CB-CE1 3.98Å; F419-Y428 HydrophobicContact CB-CE2 4.39Å; F419-Y428 AromaticContact CD1-CE1 3.54Å; F419-Y428 HydrophobicContact CD1-CE1 3.54Å; F419-Y428 AromaticContact CD1-CZ 3.75Å; F419-Y428 VanDerWaalsContact CD1-OH 3.28Å; F419-Y428 WeakPolarHBondContact CD1-OH 3.2Å; F419-Y428 HydrophobicContact CD2-CE1 4.36Å; F419-Y428 HydrophobicContact CE1-CE1 4.13Å; F419-Y428 AromaticContact CG-CE1 3.69Å; F419-Y428 HydrophobicContact CG-CE1 3.69Å; F419-Y428 AromaticContact CG-CZ 3.92Å
420	Q	80.2	Confident	79.6	Confident	92 Å²	92	37 Å²	37	43%	0.43	20%	0.201	S	C	.	.	H	α-helix	trans	-59	-39.3	177.5	-168.5	-178.9	11.4	0	0	111.6	L254 L416 K417	L254-Q420 HydrophobicContact CD2-CB 3.96Å; L254-Q420 HydrophobicContact CD2-CG 3.73Å; L416-Q420 PolarHBondContact O-N 2.8Å; K417-Q420 PolarHBondContact O-N 2.96Å
421	G	68.1	Low	78.6	Confident	60 Å²	60	35.5 Å²	35.5	62%	0.619	18%	0.183	S	C	*	.	H	α-helix	trans	-77.6	-70.7	-179.2	0	0	0	0	0	114.1	K417 F419	K417-G421 PolarHBondContact O-N 3.44Å; F419-G421 VanDerWaalsContact C-N 3.26Å; F419-G421 PolarHBondContact O-N 2.94Å
422	R	62.2	Low	77.3	Confident	149 Å²	149	33.9 Å²	33.9	56%	0.562	17%	0.173	S	C	*	.	H	α-helix	trans	-88.8	-17.7	-163.1	-71.8	-177.6	-178.3	146.2	1.3	114.9	R384 F418	R384-R422 PolarHBondContact NH2-O 2.94Å; F418-R422 PolarHBondContact O-N 2.95Å
423	Y	60.3	Low	76	Confident	31 Å²	31	34.5 Å²	34.5	12%	0.122	18%	0.175	C	C	.	.			trans	-136.5	35.5	-165.6	-60.1	-74.2	0	0	0	113	F379 T380 F418 F419 L425 Y428	F379-Y423 HydrophobicContact CB-CD1 4.35Å; F379-Y423 HydrophobicContact CB-CE1 4.4Å; F379-Y423 HydrophobicContact CB-CG 4.42Å; F379-Y423 WeakPolarHBondContact O-CE1 3.21Å; T380-Y423 VanDerWaalsContact CA-OH 3.31Å; T380-Y423 WeakPolarHBondContact CA-OH 3.29Å; T380-Y423 HydrophobicContact CG2-CE2 4.01Å; T380-Y423 WeakPolarHBondContact CG2-OH 3.45Å; F418-Y423 HydrophobicContact CD1-CD2 4.27Å; F418-Y423 AromaticContact CE1-CD2 3.66Å; F418-Y423 HydrophobicContact CE1-CD2 3.66Å; F418-Y423 AromaticContact CE1-CE2 3.66Å; F418-Y423 HydrophobicContact CE1-CE2 3.66Å; F418-Y423 HydrophobicContact CE2-CE2 4.25Å; F418-Y423 AromaticContact CZ-CD2 3.99Å; F418-Y423 HydrophobicContact CZ-CD2 3.99Å; F418-Y423 AromaticContact CZ-CE2 3.49Å; F418-Y423 HydrophobicContact CZ-CE2 3.49Å; F418-Y423 VanDerWaalsContact CZ-CE2 3.49Å; F419-Y423 CarbonylContact O-C 3.59Å; F419-Y423 PolarHBondContact O-N 3.04Å; Y423-L425 PolarHBondContact O-N 2.86Å; Y423-Y428 PolarHBondContact O-OH 3.43Å
424	S	58.4	Low	73.8	Confident	50 Å²	50	34.3 Å²	34.3	35%	0.35	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	25.4	-179.8	59.3	0	0	0	0	115.8	F419 P490	F419-S424 PolarHBondContact O-N 2.97Å; S424-P490 WeakPolarHBondContact O-CB 3.46Å
425	L	58.5	Low	71.7	Confident	48 Å²	48	29.7 Å²	29.7	25%	0.251	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.1	7.5	179.2	-59.5	177.1	0	0	0	113.3	P223 L224 N225 Y423	P223-L425 HydrophobicContact CG-CD1 4.45Å; L224-L425 WeakPolarHBondContact CD1-O 3.45Å; N225-L425 PolarHBondContact N-O 2.66Å; Y423-L425 PolarHBondContact O-N 2.86Å
426	G	66.5	Low	69.4	Low	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	149.2	-176.6	0	0	0	0	0	114.2	N225 Y428 P490	N225-G426 CarbonylContact O-C 3.42Å; N225-G426 VanDerWaalsContact O-CA 3.3Å; N225-G426 WeakPolarHBondContact O-CA 3.39Å; G426-Y428 WeakPolarHBondContact O-CD2 3.36Å; G426-Y428 VanDerWaalsContact O-CE2 3.25Å; G426-Y428 WeakPolarHBondContact O-CE2 3.33Å; G426-P490 VanDerWaalsContact O-CD 3.24Å; G426-P490 WeakPolarHBondContact O-CD 3.37Å
427	I	70.4	Confident	67	Low	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	123.9	155	-61.4	-175.8	0	0	0	107.2	L224 N225 Y227 F429 I487 I488 L489 F493 L524 F543	L224-I427 HydrophobicContact CD1-CD1 4.28Å; L224-I427 HydrophobicContact CD1-CG1 3.71Å; L224-I427 HydrophobicContact CD2-CD1 3.73Å; L224-I427 HydrophobicContact CD2-CG1 4.07Å; L224-I427 HydrophobicContact CG-CD1 4.39Å; L224-I427 HydrophobicContact CG-CG1 4.19Å; N225-I427 PolarHBondContact O-N 3.34Å; Y227-I427 PolarHBondContact N-O 3.1Å; I427-F429 HydrophobicContact CB-CE2 4.25Å; I427-F429 HydrophobicContact CG2-CD2 3.9Å; I427-F429 HydrophobicContact CG2-CE1 4.36Å; I427-F429 HydrophobicContact CG2-CE2 3.33Å; I427-F429 HydrophobicContact CG2-CZ 3.6Å; I427-I487 HydrophobicContact CG2-CD1 4.13Å; I427-I487 HydrophobicContact CG2-CG1 4.03Å; I427-I488 WeakPolarHBondContact CA-O 3.05Å; I427-L489 HydrophobicContact CB-CD2 4.39Å; I427-L489 HydrophobicContact CD1-CD2 3.74Å; I427-L489 HydrophobicContact CG1-CD2 3.75Å; I427-L489 HydrophobicContact CG2-CD2 3.93Å; I427-F493 HydrophobicContact CD1-CE2 4.39Å; I427-L524 HydrophobicContact CD1-CD1 4.17Å; I427-L524 HydrophobicContact CD1-CD2 4.1Å; I427-F543 HydrophobicContact CD1-CZ 3.69Å
428	Y	75.5	Confident	64.4	Low	16 Å²	16	29 Å²	29	6%	0.063	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	121.6	179	-52	-82.4	0	0	0	109.1	Y227 F419 Y423 G426 I487 I488	Y227-Y428 AromaticContact CD1-CD1 3.57Å; Y227-Y428 HydrophobicContact CD1-CD1 3.57Å; Y227-Y428 AromaticContact CD1-CE1 3.88Å; Y227-Y428 HydrophobicContact CD1-CE1 3.88Å; Y227-Y428 HydrophobicContact CG-CD1 4.12Å; Y227-Y428 CarbonylContact O-C 3.57Å; Y227-Y428 WeakPolarHBondContact O-CA 3Å; F419-Y428 HydrophobicContact CB-CE1 3.98Å; F419-Y428 HydrophobicContact CB-CE2 4.39Å; F419-Y428 AromaticContact CD1-CE1 3.54Å; F419-Y428 HydrophobicContact CD1-CE1 3.54Å; F419-Y428 AromaticContact CD1-CZ 3.75Å; F419-Y428 VanDerWaalsContact CD1-OH 3.28Å; F419-Y428 WeakPolarHBondContact CD1-OH 3.2Å; F419-Y428 HydrophobicContact CD2-CE1 4.36Å; F419-Y428 HydrophobicContact CE1-CE1 4.13Å; F419-Y428 AromaticContact CG-CE1 3.69Å; F419-Y428 HydrophobicContact CG-CE1 3.69Å; F419-Y428 AromaticContact CG-CZ 3.92Å; Y423-Y428 PolarHBondContact O-OH 3.43Å; G426-Y428 WeakPolarHBondContact O-CD2 3.36Å; G426-Y428 VanDerWaalsContact O-CE2 3.25Å; G426-Y428 WeakPolarHBondContact O-CE2 3.33Å; Y428-I487 WeakPolarHBondContact O-CA 3.49Å; Y428-I488 HydrophobicContact CD2-CB 4.4Å; Y428-I488 HydrophobicContact CD2-CG2 4.27Å; Y428-I488 PolarHBondContact N-O 3.02Å; Y428-I488 PolarHBondContact O-N 2.9Å
429	F	79.1	Confident	61.7	Low	1 Å²	1	29.8 Å²	29.8	0%	0.004	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	116.1	171.7	-63.4	-89.5	0	0	0	107.5	I226 Y227 F228 L229 I427 I431 I487 L517 T520 V521	I226-F429 HydrophobicContact CG2-CD2 4.41Å; I226-F429 HydrophobicContact CG2-CE2 4.23Å; Y227-F429 PolarHBondContact O-N 2.64Å; F228-F429 CarbonylContact C-O 3.58Å; F228-F429 VanDerWaalsContact CA-O 3.31Å; F228-F429 WeakPolarHBondContact CA-O 3.36Å; F228-F429 HydrophobicContact CD1-CB 3.38Å; F228-F429 HydrophobicContact CD1-CD2 4.12Å; F228-F429 AromaticContact CD1-CG 3.88Å; F228-F429 HydrophobicContact CD1-CG 3.88Å; F228-F429 HydrophobicContact CD2-CD2 4.29Å; F228-F429 HydrophobicContact CE1-CB 3.49Å; F228-F429 VanDerWaalsContact CE1-CB 3.49Å; F228-F429 HydrophobicContact CE1-CD1 4.02Å; F228-F429 AromaticContact CE1-CD2 3.66Å; F228-F429 HydrophobicContact CE1-CD2 3.66Å; F228-F429 HydrophobicContact CE1-CE2 4.36Å; F228-F429 AromaticContact CE1-CG 3.45Å; F228-F429 HydrophobicContact CE1-CG 3.45Å; F228-F429 VanDerWaalsContact CE1-CG 3.45Å; F228-F429 AromaticContact CE2-CD2 3.84Å; F228-F429 HydrophobicContact CE2-CD2 3.84Å; F228-F429 HydrophobicContact CE2-CE2 4.22Å; F228-F429 HydrophobicContact CE2-CG 4.48Å; F228-F429 HydrophobicContact CG-CB 4.05Å; F228-F429 HydrophobicContact CG-CD2 4.42Å; F228-F429 HydrophobicContact CZ-CB 4.24Å; F228-F429 HydrophobicContact CZ-CD1 4.38Å; F228-F429 AromaticContact CZ-CD2 3.5Å; F228-F429 HydrophobicContact CZ-CD2 3.5Å; F228-F429 VanDerWaalsContact CZ-CD2 3.5Å; F228-F429 AromaticContact CZ-CE2 3.84Å; F228-F429 HydrophobicContact CZ-CE2 3.84Å; F228-F429 AromaticContact CZ-CG 3.8Å; F228-F429 HydrophobicContact CZ-CG 3.8Å; F228-F429 HydrophobicContact CZ-CZ 4.42Å; L229-F429 PolarHBondContact N-O 2.97Å; I427-F429 HydrophobicContact CB-CE2 4.25Å; I427-F429 HydrophobicContact CG2-CD2 3.9Å; I427-F429 HydrophobicContact CG2-CE1 4.36Å; I427-F429 HydrophobicContact CG2-CE2 3.33Å; I427-F429 HydrophobicContact CG2-CZ 3.6Å; F429-I431 HydrophobicContact CB-CG1 4.43Å; F429-I487 HydrophobicContact CD1-CB 4.42Å; F429-I487 HydrophobicContact CD1-CD1 4.37Å; F429-I487 HydrophobicContact CD1-CG1 4.29Å; F429-I487 HydrophobicContact CE1-CD1 3.67Å; F429-I487 HydrophobicContact CE1-CG1 4.07Å; F429-I487 HydrophobicContact CZ-CD1 4.08Å; F429-L517 HydrophobicContact CD1-CD2 4.2Å; F429-L517 HydrophobicContact CE1-CD2 4.25Å; F429-T520 HydrophobicContact CE1-CG2 4.28Å; F429-T520 HydrophobicContact CZ-CG2 4.03Å; F429-V521 HydrophobicContact CE2-CG2 4.16Å; F429-V521 HydrophobicContact CZ-CG2 4.29Å
430	I	74.7	Confident	59.2	Low	2 Å²	2	32.2 Å²	32.2	1%	0.01	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	116.9	173.7	-58.5	172.4	0	0	0	106	L229 I250 L416 F484 V485 S486 I488	L229-I430 CarbonylContact O-C 3.53Å; L229-I430 WeakPolarHBondContact O-CA 3.46Å; I250-I430 HydrophobicContact CD1-CD1 3.39Å; I250-I430 HydrophobicContact CD1-CG2 4.34Å; I250-I430 HydrophobicContact CG1-CD1 3.68Å; L416-I430 HydrophobicContact CD1-CD1 3.94Å; L416-I430 HydrophobicContact CD2-CD1 3.8Å; I430-F484 HydrophobicContact CB-CE1 4.32Å; I430-F484 HydrophobicContact CG2-CD1 4.24Å; I430-F484 HydrophobicContact CG2-CE1 3.95Å; I430-V485 CarbonylContact O-C 3.5Å; I430-V485 VanDerWaalsContact O-CA 3.27Å; I430-V485 WeakPolarHBondContact O-CA 3.46Å; I430-S486 PolarHBondContact N-O 2.91Å; I430-S486 PolarHBondContact O-N 3.28Å; I430-I488 HydrophobicContact CD1-CD1 3.68Å; I430-I488 HydrophobicContact CG1-CD1 4.5Å
431	I	74.1	Confident	56.8	Low	12 Å²	12	36.8 Å²	36.8	6%	0.062	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	130.7	-174.3	-55.6	-175.2	0	0	0	107.5	F228 L229 G230 F231 I276 F429 F484 V485 L517	F228-I431 HydrophobicContact CD1-CD1 3.53Å; F228-I431 HydrophobicContact CD1-CG1 4.36Å; F228-I431 HydrophobicContact CE1-CD1 3.86Å; L229-I431 PolarHBondContact O-N 2.69Å; G230-I431 CarbonylContact C-O 3.53Å; G230-I431 WeakPolarHBondContact CA-O 3.48Å; F231-I431 PolarHBondContact N-O 3.42Å; I276-I431 HydrophobicContact CD1-CD1 3.61Å; F429-I431 HydrophobicContact CB-CG1 4.43Å; I431-F484 CarbonylContact C-O 3.5Å; I431-F484 WeakPolarHBondContact CA-O 3.23Å; I431-V485 HydrophobicContact CG1-CG1 4.31Å; I431-V485 HydrophobicContact CG1-CG2 4.47Å; I431-V485 HydrophobicContact CG2-CG2 4.17Å; I431-L517 HydrophobicContact CD1-CD1 3.55Å; I431-L517 HydrophobicContact CG1-CD1 4.37Å
432	M	64.6	Low	55	Low	1 Å²	1	42.2 Å²	42.2	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	114	170.3	-55.2	-154.3	-43.3	0	0	109.8	F231 V234 F239 L243 P483 F484	F231-M432 HydrophobicContact CB-CB 4.22Å; F231-M432 HydrophobicContact CB-CG 3.79Å; F231-M432 HydrophobicContact CB-SD 3.6Å; F231-M432 HydrophobicContact CD2-CG 3.71Å; F231-M432 HydrophobicContact CD2-SD 3.53Å; F231-M432 VanDerWaalsContact CD2-SD 3.53Å; F231-M432 HydrophobicContact CE2-SD 4.4Å; F231-M432 HydrophobicContact CG-CG 4.15Å; F231-M432 HydrophobicContact CG-SD 3.72Å; F231-M432 CarbonylContact O-C 3.55Å; F231-M432 VanDerWaalsContact O-CA 3.3Å; F231-M432 WeakPolarHBondContact O-CA 3.44Å; V234-M432 HydrophobicContact CB-CB 4.48Å; V234-M432 HydrophobicContact CB-CE 3.55Å; V234-M432 HydrophobicContact CB-SD 4.38Å; V234-M432 HydrophobicContact CG1-CE 3.42Å; V234-M432 VanDerWaalsContact CG1-CE 3.42Å; V234-M432 HydrophobicContact CG2-CE 4.46Å; V234-M432 CarbonylContact O-C 3.56Å; F239-M432 HydrophobicContact CB-CE 3.1Å; F239-M432 HydrophobicContact CD1-CE 4.39Å; F239-M432 HydrophobicContact CD2-CE 2.84Å; F239-M432 HydrophobicContact CD2-CG 4.46Å; F239-M432 HydrophobicContact CD2-SD 3.32Å; F239-M432 WeakPolarHBondContact CD2-SD 3.25Å; F239-M432 HydrophobicContact CE2-CE 3.73Å; F239-M432 HydrophobicContact CE2-SD 3.59Å; F239-M432 VanDerWaalsContact CE2-SD 3.59Å; F239-M432 HydrophobicContact CG-CE 3.19Å; F239-M432 HydrophobicContact CG-SD 4.2Å; L243-M432 HydrophobicContact CD2-SD 4.29Å; M432-P483 CarbonylContact O-C 3.57Å; M432-P483 VanDerWaalsContact O-CA 3.29Å; M432-P483 WeakPolarHBondContact O-CA 3.06Å; M432-P483 WeakPolarHBondContact O-CB 3.44Å; M432-F484 HydrophobicContact CB-CB 4.19Å; M432-F484 HydrophobicContact CE-CB 4.12Å; M432-F484 HydrophobicContact CG-CB 4.46Å; M432-F484 HydrophobicContact CG-CD1 4.48Å; M432-F484 PolarHBondContact N-O 3.38Å; M432-F484 PolarHBondContact O-N 2.8Å; M432-F484 VanDerWaalsContact O-N 3.12Å
433	R	64.7	Low	53.5	Low	13 Å²	13	41.3 Å²	41.3	5%	0.049	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	150.9	-176.5	173.1	-172.2	159.8	65.4	13.8	110.1	F231 D232 S233 V234 G268 T269 A272 S435	F231-R433 PolarHBondContact O-N 2.75Å; D232-R433 WeakPolarHBondContact OD1-CD 3.22Å; D232-R433 IonicContact OD1-NE 2.93Å; D232-R433 PolarHBondContact OD1-NE 2.72Å; D232-R433 IonicContact OD2-NE 3.04Å; S233-R433 CarbonylContact C-O 3.58Å; S233-R433 WeakPolarHBondContact CA-O 3.39Å; S233-R433 WeakPolarHBondContact OG-CD 3.29Å; S233-R433 WeakPolarHBondContact OG-CG 3.3Å; S233-R433 PolarHBondContact OG-NE 3.33Å; S233-R433 PolarHBondContact OG-O 2.84Å; V234-R433 CarbonylContact C-O 3.58Å; V234-R433 WeakPolarHBondContact CA-O 3.11Å; V234-R433 PolarHBondContact N-O 3.47Å; V234-R433 CarbonylContact O-C 3.36Å; G268-R433 VanDerWaalsContact N-NH2 3.15Å; G268-R433 PolarHBondContact O-NH1 2.96Å; T269-R433 VanDerWaalsContact CA-NH1 3.28Å; T269-R433 VanDerWaalsContact N-NH1 3.14Å; T269-R433 VanDerWaalsContact N-NH2 3.15Å; T269-R433 PolarHBondContact OG1-NE 3.26Å; A272-R433 HydrophobicContact CB-CG 4.44Å; R433-S435 PolarHBondContact NH2-OG 3.17Å
434	A	48.4	Very low	52.2	Low	8 Å²	8	44.9 Å²	44.9	7%	0.066	21%	0.213	C	C	.	.			trans	-105.5	136.5	154.7	0	0	0	0	0	108.4	E480	A434-E480 WeakPolarHBondContact CB-O 3.46Å
435	S	49.4	Very low	51.2	Low	13 Å²	13	51.5 Å²	51.5	9%	0.091	24%	0.238	C	C	.	.			trans	-123.9	136.7	-175.7	-173.1	0	0	0	0	108.3	S233 R433 S437	S233-S435 WeakPolarHBondContact OG-CA 3.41Å; S233-S435 WeakPolarHBondContact OG-CB 3.37Å; S233-S435 PolarHBondContact OG-N 3.21Å; R433-S435 PolarHBondContact NH2-OG 3.17Å; S435-S437 PolarHBondContact OG-N 3.15Å
436	I	44.1	Very low	50	Low	20 Å²	20	60 Å²	60	10%	0.103	27%	0.267	C	S	.	.			trans	-92.9	113	145.9	-50.2	173.2	0	0	0	104.6	S438 T471 E480	I436-S438 PolarHBondContact O-N 3.38Å; I436-S438 VanDerWaalsContact O-N 3.14Å; I436-T471 HydrophobicContact CD1-CG2 3.72Å; I436-T471 HydrophobicContact CG1-CG2 3.77Å; I436-E480 HydrophobicContact CD1-CG 4.25Å; I436-E480 WeakPolarHBondContact CD1-OE1 3.5Å; I436-E480 VanDerWaalsContact CG1-CD 3.45Å; I436-E480 HydrophobicContact CG1-CG 3.86Å; I436-E480 VanDerWaalsContact CG1-OE1 3.29Å; I436-E480 WeakPolarHBondContact CG1-OE1 3.43Å
437	S	40.3	Very low	48.5	Very low	17 Å²	17	63.4 Å²	63.4	12%	0.119	29%	0.285	C	S	.	.			trans	-63.2	116.9	160.5	61.5	0	0	0	0	107.9	S435 V439 E467	S435-S437 PolarHBondContact OG-N 3.15Å; S437-V439 PolarHBondContact O-N 2.9Å; S437-E467 WeakPolarHBondContact CB-OE2 3.39Å; S437-E467 PolarHBondContact N-OE2 3.48Å; S437-E467 PolarHBondContact OG-OE2 3.01Å
438	S	36.3	Very low	46.9	Very low	43 Å²	43	67.6 Å²	67.6	30%	0.301	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-65.2	14.4	172.9	-10.4	0	0	0	0	112.7	I436 H440	I436-S438 PolarHBondContact O-N 3.38Å; I436-S438 VanDerWaalsContact O-N 3.14Å; S438-H440 PolarHBondContact O-N 3.29Å
439	V	34.3	Very low	45.2	Very low	47 Å²	47	76.3 Å²	76.3	29%	0.285	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-70.3	4.4	-179.7	-171.9	0	0	0	0	111.8	S437 Y441 F442 F464	S437-V439 PolarHBondContact O-N 2.9Å; V439-Y441 PolarHBondContact O-N 2.97Å; V439-F442 PolarHBondContact O-N 2.97Å; V439-F464 HydrophobicContact CB-CD1 4.47Å; V439-F464 HydrophobicContact CB-CE1 4.39Å; V439-F464 HydrophobicContact CG1-CD1 4.23Å; V439-F464 HydrophobicContact CG1-CE1 3.85Å; V439-F464 HydrophobicContact CG1-CZ 4.44Å
440	H	32.6	Very low	43.2	Very low	53 Å²	53	85.6 Å²	85.6	25%	0.245	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-59.1	-11.4	167.7	-128.4	91.5	0	0	0	114.7	S438 F442 F448	S438-H440 PolarHBondContact O-N 3.29Å; H440-F442 VanDerWaalsContact C-N 3.35Å; H440-F442 PolarHBondContact O-N 2.77Å; H440-F448 AromaticContact CE1-CE2 3.78Å; H440-F448 AromaticContact CE1-CZ 3.91Å; H440-F448 AromaticContact NE2-CD2 3.87Å; H440-F448 AromaticContact NE2-CE2 2.93Å; H440-F448 WeakPolarHBondContact NE2-CE2 3.5Å; H440-F448 AromaticContact NE2-CZ 3.29Å; H440-F448 VanDerWaalsContact NE2-CZ 3.29Å; H440-F448 WeakPolarHBondContact NE2-CZ 3.32Å
441	Y	30.6	Very low	41.4	Very low	188 Å²	188	93.4 Å²	93.4	74%	0.737	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-66	-31	-179.9	-159.6	-98.4	0	0	0	113.6	V439	V439-Y441 PolarHBondContact O-N 2.97Å
442	F	29.7	Very low	39.4	Very low	175 Å²	175	95.8 Å²	95.8	77%	0.768	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-19.3	-170.1	-151.9	-96.9	0	0	0	115.3	V439 H440	V439-F442 PolarHBondContact O-N 2.97Å; H440-F442 VanDerWaalsContact C-N 3.35Å; H440-F442 PolarHBondContact O-N 2.77Å
443	F	30.3	Very low	38	Very low	129 Å²	129	99.9 Å²	99.9	57%	0.566	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.1	1.7	-173.4	-84.9	-83.3	0	0	0	116	E445 I447	F443-E445 PolarHBondContact O-N 3.19Å; F443-I447 HydrophobicContact CD1-CD1 4.44Å
444	R	34.9	Very low	36.6	Very low	106 Å²	106	105.6 Å²	105.6	40%	0.4	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-25.1	-172.2	-142.9	176	-174.3	-88.4	-8.9	114.9	R446 F448	R444-R446 VanDerWaalsContact C-N 3.28Å; R444-R446 PolarHBondContact O-N 3.08Å; R444-F448 HydrophobicContact CG-CD2 4.28Å; R444-F448 HydrophobicContact CG-CG 4.45Å
445	E	36.5	Very low	36.2	Very low	189 Å²	189	107.9 Å²	107.9	88%	0.883	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-13.8	-172.5	-82.9	-86.4	139.7	0	0	114.8	F443	F443-E445 PolarHBondContact O-N 3.19Å
446	R	33.5	Very low	35.4	Very low	227 Å²	227	112 Å²	112	86%	0.857	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.3	-16.1	-175.7	-74.4	-168.4	179.8	-172.7	1.5	119.3	R444	R444-R446 VanDerWaalsContact C-N 3.28Å; R444-R446 PolarHBondContact O-N 3.08Å
447	I	35.7	Very low	34.8	Very low	72 Å²	72	116.8 Å²	116.8	37%	0.369	56%	0.559	S	S	.	*	S	Bend	trans	-109	-30.3	-169.8	-57.2	-179.2	0	0	0	113.1	F443 E449 R450 Y451 I461	F443-I447 HydrophobicContact CD1-CD1 4.44Å; I447-E449 PolarHBondContact O-N 2.64Å; I447-R450 PolarHBondContact O-N 2.99Å; I447-Y451 PolarHBondContact O-N 3.27Å; I447-I461 HydrophobicContact CD1-CD1 3.89Å
448	F	36.8	Very low	34.2	Very low	87 Å²	87	126.7 Å²	126.7	38%	0.382	59%	0.593	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.3	-40.3	-168.1	-114.4	-97.7	0	0	0	115.2	H440 R444 V453	H440-F448 AromaticContact CE1-CE2 3.78Å; H440-F448 AromaticContact CE1-CZ 3.91Å; H440-F448 AromaticContact NE2-CD2 3.87Å; H440-F448 AromaticContact NE2-CE2 2.93Å; H440-F448 WeakPolarHBondContact NE2-CE2 3.5Å; H440-F448 AromaticContact NE2-CZ 3.29Å; H440-F448 VanDerWaalsContact NE2-CZ 3.29Å; H440-F448 WeakPolarHBondContact NE2-CZ 3.32Å; R444-F448 HydrophobicContact CG-CD2 4.28Å; R444-F448 HydrophobicContact CG-CG 4.45Å; F448-V453 HydrophobicContact CE1-CG2 4.43Å; F448-V453 HydrophobicContact CZ-CG2 4.32Å
449	E	39	Very low	34.2	Very low	200 Å²	200	129.4 Å²	129.4	94%	0.935	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.5	-24.4	-178.2	-72.8	-172.7	163	0	0	113.1	I447	I447-E449 PolarHBondContact O-N 2.64Å
450	R	37	Very low	34.3	Very low	196 Å²	196	138.3 Å²	138.3	74%	0.74	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.9	-27.3	-169.9	-154.3	179	-118.6	-144.5	1.3	113.7	I447	I447-R450 PolarHBondContact O-N 2.99Å
451	Y	36.6	Very low	34.4	Very low	165 Å²	165	141 Å²	141	65%	0.647	66%	0.656	S	S	*	*	S	Bend	trans	-136.6	52.4	-172.1	-63.4	-75.9	0	0	0	113	I447 V453	I447-Y451 PolarHBondContact O-N 3.27Å; Y451-V453 PolarHBondContact O-N 2.99Å; Y451-V453 VanDerWaalsContact O-N 3.15Å
452	G	33.1	Very low	34.6	Very low	63 Å²	63	137 Å²	137	65%	0.649	64%	0.644	S	S	*	*			trans	-17.5	111	178.5	0	0	0	0	0	113.5	N454	G452-N454 VanDerWaalsContact C-N 3.33Å; G452-N454 PolarHBondContact O-N 2.9Å
453	V	35.5	Very low	34.9	Very low	86 Å²	86	133.9 Å²	133.9	52%	0.521	63%	0.634	S	S	.	*			trans	-62.4	93.6	-168.7	-166.3	0	0	0	0	109	F448 Y451 C455	F448-V453 HydrophobicContact CE1-CG2 4.43Å; F448-V453 HydrophobicContact CZ-CG2 4.32Å; Y451-V453 PolarHBondContact O-N 2.99Å; Y451-V453 VanDerWaalsContact O-N 3.15Å; V453-C455 PolarHBondContact O-N 2.75Å
454	N	34	Very low	35.2	Very low	133 Å²	133	132.5 Å²	132.5	71%	0.711	63%	0.628	S	S	*	*			trans	-65.7	120.6	150.1	-92.5	-25	0	0	0	104.2	G452 V456	G452-N454 VanDerWaalsContact C-N 3.33Å; G452-N454 PolarHBondContact O-N 2.9Å; N454-V456 HydrophobicContact CB-CB 4.28Å; N454-V456 HydrophobicContact CB-CG2 4.13Å; N454-V456 PolarHBondContact O-N 2.73Å
455	C	40.4	Very low	35.6	Very low	57 Å²	57	129.6 Å²	129.6	39%	0.385	62%	0.624	S	S	.	*	S	Bend	trans	-66.2	33.5	172.8	-60.5	0	0	0	0	111.8	L115 V453	L115-C455 HydrophobicContact CD2-CB 4.5Å; V453-C455 PolarHBondContact O-N 2.75Å
456	V	32.3	Very low	36	Very low	100 Å²	100	122 Å²	122	61%	0.606	59%	0.588	S	S	*	*	S	Bend	trans	-106.1	106.8	178.4	-178.6	0	0	0	0	105.2	N454 R458	N454-V456 HydrophobicContact CB-CB 4.28Å; N454-V456 HydrophobicContact CB-CG2 4.13Å; N454-V456 PolarHBondContact O-N 2.73Å; V456-R458 PolarHBondContact O-N 3.4Å
457	L	32.5	Very low	36.6	Very low	120 Å²	120	112.3 Å²	112.3	63%	0.628	55%	0.552	S	S	*	*			trans	-16.9	95.6	163	-74.8	161.3	0	0	0	111.8	F466	L457-F466 HydrophobicContact CD2-CE2 4.32Å; L457-F466 HydrophobicContact CD2-CZ 3.7Å
458	R	26.4	Very low	37.1	Very low	224 Å²	224	110 Å²	110	85%	0.845	54%	0.544	S	S	*	.			trans	-114.9	119.8	165.2	-87	-168.8	171.2	-172.7	-1.8	107.6	V456	V456-R458 PolarHBondContact O-N 3.4Å
459	S	36.3	Very low	37.7	Very low	101 Å²	101	106.3 Å²	106.3	71%	0.706	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.5	133.6	-169.7	43.7	0	0	0	0	113.2
460	R	36.2	Very low	38.3	Very low	234 Å²	234	97.6 Å²	97.6	88%	0.883	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.2	1.3	166.3	-60.8	-172.1	-163	-140.8	0	120.3
461	I	34.8	Very low	39.3	Very low	109 Å²	109	89.3 Å²	89.3	56%	0.559	46%	0.46	S	S	*	.			trans	-131.9	63.3	164.6	-48.4	177.4	0	0	0	108.3	I447	I447-I461 HydrophobicContact CD1-CD1 3.89Å
462	E	35.1	Very low	40.4	Very low	105 Å²	105	85.3 Å²	85.3	49%	0.491	45%	0.452	S	S	.	.			trans	-88.2	-14.6	-170.4	-77.6	176.1	171.6	0	0	114.4
463	I	37	Very low	42.2	Very low	108 Å²	108	83 Å²	83	55%	0.554	43%	0.426	S	S	*	.	S	Bend	trans	-82.5	-25.3	-162.4	-59	175.2	0	0	0	114.1
464	F	36.2	Very low	44.1	Very low	101 Å²	101	80.8 Å²	80.8	44%	0.443	41%	0.409	S	S	.	.	S	Bend	trans	-120.3	-1	-171.5	-66.5	-76.8	0	0	0	114.8	V439	V439-F464 HydrophobicContact CB-CD1 4.47Å; V439-F464 HydrophobicContact CB-CE1 4.39Å; V439-F464 HydrophobicContact CG1-CD1 4.23Å; V439-F464 HydrophobicContact CG1-CE1 3.85Å; V439-F464 HydrophobicContact CG1-CZ 4.44Å
465	S	42.7	Very low	46.3	Very low	44 Å²	44	74.4 Å²	74.4	31%	0.308	38%	0.375	S	S	.	.	H	α-helix	trans	-85.6	-26	-170.6	51.4	0	0	0	0	114.5	A468 C469	S465-A468 PolarHBondContact O-N 2.97Å; S465-C469 WeakPolarHBondContact O-CB 3.39Å; S465-C469 PolarHBondContact O-N 2.91Å; S465-C469 PolarHBondContact O-SG 2.76Å
466	F	44.4	Very low	48	Very low	30 Å²	30	71.7 Å²	71.7	13%	0.132	36%	0.357	C	S	.	.	H	α-helix	trans	-70.9	-43.9	-168	-82.7	-77.5	0	0	0	114	F402 L457 A468 C469 E470	F402-F466 HydrophobicContact CD1-CB 4.18Å; F402-F466 HydrophobicContact CE1-CB 3.83Å; F402-F466 AromaticContact CE1-CD1 3.99Å; F402-F466 HydrophobicContact CE1-CD1 3.99Å; F402-F466 HydrophobicContact CE1-CG 4.32Å; F402-F466 HydrophobicContact CZ-CD1 4.31Å; L457-F466 HydrophobicContact CD2-CE2 4.32Å; L457-F466 HydrophobicContact CD2-CZ 3.7Å; F466-A468 PolarHBondContact O-N 2.94Å; F466-C469 WeakPolarHBondContact O-CB 3.46Å; F466-C469 PolarHBondContact O-N 2.8Å; F466-E470 PolarHBondContact O-N 3.04Å
467	E	45.7	Very low	50.2	Low	23 Å²	23	67.5 Å²	67.5	11%	0.107	33%	0.33	C	S	.	.	H	α-helix	trans	-61.7	-44.2	175.2	-65.2	-174.6	148.2	0	0	111.3	S437 C469 E470	S437-E467 WeakPolarHBondContact CB-OE2 3.39Å; S437-E467 PolarHBondContact N-OE2 3.48Å; S437-E467 PolarHBondContact OG-OE2 3.01Å; E467-C469 VanDerWaalsContact C-N 3.27Å; E467-C469 PolarHBondContact O-N 3.04Å; E467-E470 PolarHBondContact O-N 2.72Å
468	A	47.1	Very low	52.4	Low	24 Å²	24	61.8 Å²	61.8	20%	0.198	30%	0.301	C	S	.	.	H	α-helix	trans	-61.9	-35.8	176.4	0	0	0	0	0	111.8	S465 F466 E470 T471 T472	S465-A468 PolarHBondContact O-N 2.97Å; F466-A468 PolarHBondContact O-N 2.94Å; A468-E470 PolarHBondContact O-N 3.41Å; A468-T471 PolarHBondContact O-N 3.18Å; A468-T471 PolarHBondContact O-OG1 3.24Å; A468-T472 WeakPolarHBondContact O-CG2 3.39Å
469	C	48.7	Very low	55.2	Low	10 Å²	10	51.1 Å²	51.1	7%	0.068	26%	0.26	C	S	.	.	H	α-helix	trans	-62.3	-38.8	178.7	-75.7	0	0	0	0	112.8	L115 S465 F466 E467 T471 T472	L115-C469 HydrophobicContact CD1-CB 4.03Å; L115-C469 HydrophobicContact CD2-CB 4.18Å; S465-C469 WeakPolarHBondContact O-CB 3.39Å; S465-C469 PolarHBondContact O-N 2.91Å; S465-C469 PolarHBondContact O-SG 2.76Å; F466-C469 WeakPolarHBondContact O-CB 3.46Å; F466-C469 PolarHBondContact O-N 2.8Å; E467-C469 VanDerWaalsContact C-N 3.27Å; E467-C469 PolarHBondContact O-N 3.04Å; C469-T471 VanDerWaalsContact C-N 3.28Å; C469-T471 PolarHBondContact O-N 2.91Å; C469-T472 PolarHBondContact O-N 2.91Å; C469-T472 VanDerWaalsContact O-N 3.17Å; C469-T472 PolarHBondContact O-OG1 2.87Å
470	E	52.2	Low	57.2	Low	17 Å²	17	46.8 Å²	46.8	8%	0.079	23%	0.229	C	C	.	.	H	α-helix	trans	-56.4	-47	177.8	-69.8	-165.3	158.6	0	0	110.2	I112 L115 S238 F402 F466 E467 A468 T472 T473 G476	I112-E470 HydrophobicContact CD1-CG 4.28Å; L115-E470 HydrophobicContact CD1-CG 4.46Å; S238-E470 PolarHBondContact OG-OE1 3.37Å; F402-E470 HydrophobicContact CE1-CG 4.43Å; F466-E470 PolarHBondContact O-N 3.04Å; E467-E470 PolarHBondContact O-N 2.72Å; A468-E470 PolarHBondContact O-N 3.41Å; E470-T472 PolarHBondContact O-N 3.28Å; E470-T472 VanDerWaalsContact O-N 3.09Å; E470-T473 PolarHBondContact O-N 2.91Å; E470-T473 VanDerWaalsContact O-N 3.16Å; E470-T473 PolarHBondContact O-OG1 3.48Å; E470-G476 WeakPolarHBondContact O-CA 3.49Å
471	T	57.3	Low	59.5	Low	22 Å²	22	35.7 Å²	35.7	14%	0.135	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-11.6	-176.6	74.1	0	0	0	0	114.9	I436 A468 C469 T473 K477 E480	I436-T471 HydrophobicContact CD1-CG2 3.72Å; I436-T471 HydrophobicContact CG1-CG2 3.77Å; A468-T471 PolarHBondContact O-N 3.18Å; A468-T471 PolarHBondContact O-OG1 3.24Å; C469-T471 VanDerWaalsContact C-N 3.28Å; C469-T471 PolarHBondContact O-N 2.91Å; T471-T473 VanDerWaalsContact C-N 3.31Å; T471-K477 VanDerWaalsContact O-CE 3.26Å; T471-K477 WeakPolarHBondContact O-CE 3.24Å; T471-K477 VanDerWaalsContact O-CG 3.22Å; T471-K477 WeakPolarHBondContact O-CG 3.31Å; T471-E480 HydrophobicContact CG2-CG 4.35Å; T471-E480 WeakPolarHBondContact CG2-OE2 3.44Å
472	T	60.7	Low	62	Low	80 Å²	80	30.7 Å²	30.7	49%	0.491	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-22.1	176.6	68.1	0	0	0	0	112.7	A468 C469 E470	A468-T472 WeakPolarHBondContact O-CG2 3.39Å; C469-T472 PolarHBondContact O-N 2.91Å; C469-T472 VanDerWaalsContact O-N 3.17Å; C469-T472 PolarHBondContact O-OG1 2.87Å; E470-T472 PolarHBondContact O-N 3.28Å; E470-T472 VanDerWaalsContact O-N 3.09Å
473	T	70.6	Confident	64.5	Low	16 Å²	16	25.9 Å²	25.9	10%	0.098	14%	0.139	C	C	.	.	S	Bend	trans	-94.4	156.1	-178.8	69.2	0	0	0	0	111.3	E111 E470 T471 Q475 G476 K477	E111-T473 HydrophobicContact CB-CG2 3.88Å; E470-T473 PolarHBondContact O-N 2.91Å; E470-T473 VanDerWaalsContact O-N 3.16Å; E470-T473 PolarHBondContact O-OG1 3.48Å; T471-T473 VanDerWaalsContact C-N 3.31Å; T473-Q475 VanDerWaalsContact C-N 3.33Å; T473-G476 WeakPolarHBondContact OG1-CA 3.29Å; T473-G476 PolarHBondContact OG1-N 3.48Å; T473-K477 PolarHBondContact O-N 3.12Å
474	K	76.3	Confident	67.1	Low	38 Å²	38	20.7 Å²	20.7	17%	0.165	11%	0.113	C	C	.	.	H	α-helix	trans	-67.6	-39.6	179.2	-59.5	-178	172.8	-175.6	0	111	E111 I639 G640 P642 T668	E111-K474 WeakPolarHBondContact OE2-CB 3.29Å; E111-K474 PolarHBondContact OE2-N 3.15Å; K474-I639 HydrophobicContact CG-CG2 3.89Å; K474-G640 WeakPolarHBondContact CB-O 3.33Å; K474-G640 VanDerWaalsContact CG-O 3.3Å; K474-G640 WeakPolarHBondContact CG-O 3.49Å; K474-P642 HydrophobicContact CB-CB 3.99Å; K474-P642 HydrophobicContact CB-CG 4.19Å; K474-T668 HydrophobicContact CD-CG2 4.39Å
475	Q	79	Confident	69.8	Low	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-66.4	-47.8	176.6	177.5	72.2	13.2	0	0	111.6	Q105 D109 I112 T473 K477 L478 E479 P642	Q105-Q475 VanDerWaalsContact CB-NE2 3.35Å; D109-Q475 HydrophobicContact CB-CB 4.18Å; D109-Q475 HydrophobicContact CB-CG 3.76Å; I112-Q475 HydrophobicContact CG2-CG 4.42Å; T473-Q475 VanDerWaalsContact C-N 3.33Å; Q475-K477 VanDerWaalsContact C-N 3.33Å; Q475-K477 PolarHBondContact O-N 2.96Å; Q475-L478 WeakPolarHBondContact O-CA 3.18Å; Q475-L478 WeakPolarHBondContact O-CB 3.49Å; Q475-L478 PolarHBondContact O-N 2.94Å; Q475-E479 HydrophobicContact CG-CG 4.23Å; Q475-E479 WeakPolarHBondContact CG-OE1 3.25Å; Q475-E479 PolarHBondContact NE2-OE1 2.88Å; Q475-E479 WeakPolarHBondContact O-CG 3.34Å; Q475-E479 PolarHBondContact O-N 3.16Å; Q475-P642 HydrophobicContact CB-CG 4.3Å
476	G	77.6	Confident	72.3	Confident	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-64.7	-33.9	-177	0	0	0	0	0	113.3	E470 T473 L478 E479 E480	E470-G476 WeakPolarHBondContact O-CA 3.49Å; T473-G476 WeakPolarHBondContact OG1-CA 3.29Å; T473-G476 PolarHBondContact OG1-N 3.48Å; G476-L478 PolarHBondContact O-N 2.85Å; G476-E479 PolarHBondContact O-N 3.09Å; G476-E480 WeakPolarHBondContact O-CB 3.3Å; G476-E480 PolarHBondContact O-N 3.1Å
477	K	76.6	Confident	74.6	Confident	11 Å²	11	12.5 Å²	12.5	5%	0.048	7%	0.071	C	C	.	.	H	α-helix	trans	-57.2	-35	169.2	-76.8	-166.4	171.6	-157.3	0	113.7	T471 T473 Q475 R481 F622 I639	T471-K477 VanDerWaalsContact O-CE 3.26Å; T471-K477 WeakPolarHBondContact O-CE 3.24Å; T471-K477 VanDerWaalsContact O-CG 3.22Å; T471-K477 WeakPolarHBondContact O-CG 3.31Å; T473-K477 PolarHBondContact O-N 3.12Å; Q475-K477 VanDerWaalsContact C-N 3.33Å; Q475-K477 PolarHBondContact O-N 2.96Å; K477-R481 PolarHBondContact O-NH1 3.19Å; K477-F622 PolarHBondContact NZ-O 2.65Å; K477-I639 HydrophobicContact CD-CB 4.31Å; K477-I639 HydrophobicContact CD-CG2 4.27Å
478	L	80.5	Confident	76.9	Confident	1 Å²	1	11.9 Å²	11.9	1%	0.005	7%	0.069	C	C	.	.	H	α-helix	trans	-75.8	-44.7	175	-72	166.8	0	0	0	111	P103 Q105 Q475 G476 E480 R481 N482 F619 V641 P642	P103-L478 HydrophobicContact CB-CD1 4.12Å; P103-L478 HydrophobicContact CB-CD2 3.82Å; P103-L478 HydrophobicContact CG-CD2 3.9Å; Q105-L478 HydrophobicContact CG-CB 4.41Å; Q475-L478 WeakPolarHBondContact O-CA 3.18Å; Q475-L478 WeakPolarHBondContact O-CB 3.49Å; Q475-L478 PolarHBondContact O-N 2.94Å; G476-L478 PolarHBondContact O-N 2.85Å; L478-E480 VanDerWaalsContact C-N 3.32Å; L478-E480 PolarHBondContact O-N 2.85Å; L478-R481 PolarHBondContact O-N 2.77Å; L478-R481 VanDerWaalsContact O-N 3.15Å; L478-N482 PolarHBondContact O-N 3.3Å; L478-N482 PolarHBondContact O-OD1 3.2Å; L478-F619 HydrophobicContact CD2-CE1 4.14Å; L478-F619 HydrophobicContact CD2-CE2 4.19Å; L478-F619 HydrophobicContact CD2-CZ 3.46Å; L478-F619 VanDerWaalsContact CD2-CZ 3.46Å; L478-F619 HydrophobicContact CG-CZ 4.1Å; L478-V641 HydrophobicContact CD1-CB 4.38Å; L478-V641 HydrophobicContact CD1-CG1 4.13Å; L478-V641 HydrophobicContact CD2-CG1 4.18Å; L478-V641 HydrophobicContact CG-CG1 4.39Å; L478-P642 VanDerWaalsContact CD1-CD 3.5Å; L478-P642 HydrophobicContact CD1-CG 4Å
479	E	83.4	Confident	79	Confident	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-59.2	-42.4	-179.4	-70.4	-171.5	-164.4	0	0	112.3	I112 S235 M237 R241 Q475 G476 R481 N482	I112-E479 WeakPolarHBondContact CD1-OE2 3.13Å; S235-E479 WeakPolarHBondContact CB-O 3.42Å; S235-E479 PolarHBondContact OG-OE2 2.99Å; M237-E479 HydrophobicContact CB-CG 3.82Å; M237-E479 WeakPolarHBondContact CB-OE1 3.16Å; M237-E479 WeakPolarHBondContact CB-OE2 3.48Å; M237-E479 HydrophobicContact CG-CG 3.84Å; R241-E479 IonicContact CZ-OE1 2.65Å; R241-E479 IonicContact CZ-OE2 2.6Å; R241-E479 IonicContact NH1-OE1 2.7Å; R241-E479 PolarHBondContact NH1-OE1 3.27Å; R241-E479 IonicContact NH1-OE2 3.93Å; R241-E479 PolarHBondContact NH1-OE2 3.16Å; R241-E479 IonicContact NH2-OE1 3.94Å; R241-E479 PolarHBondContact NH2-OE1 3.12Å; R241-E479 IonicContact NH2-OE2 3.85Å; Q475-E479 HydrophobicContact CG-CG 4.23Å; Q475-E479 WeakPolarHBondContact CG-OE1 3.25Å; Q475-E479 PolarHBondContact NE2-OE1 2.88Å; Q475-E479 WeakPolarHBondContact O-CG 3.34Å; Q475-E479 PolarHBondContact O-N 3.16Å; G476-E479 PolarHBondContact O-N 3.09Å; E479-R481 PolarHBondContact O-N 3.46Å; E479-R481 VanDerWaalsContact O-N 3.08Å; E479-N482 CarbonylContact O-C 3.48Å; E479-N482 PolarHBondContact O-N 3.46Å
480	E	79	Confident	80.9	Confident	9 Å²	9	12 Å²	12	4%	0.042	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-29.2	176.4	-170.8	-147.2	139.1	0	0	113.7	A434 I436 T471 G476 L478 W561	A434-E480 WeakPolarHBondContact CB-O 3.46Å; I436-E480 HydrophobicContact CD1-CG 4.25Å; I436-E480 WeakPolarHBondContact CD1-OE1 3.5Å; I436-E480 VanDerWaalsContact CG1-CD 3.45Å; I436-E480 HydrophobicContact CG1-CG 3.86Å; I436-E480 VanDerWaalsContact CG1-OE1 3.29Å; I436-E480 WeakPolarHBondContact CG1-OE1 3.43Å; T471-E480 HydrophobicContact CG2-CG 4.35Å; T471-E480 WeakPolarHBondContact CG2-OE2 3.44Å; G476-E480 WeakPolarHBondContact O-CB 3.3Å; G476-E480 PolarHBondContact O-N 3.1Å; L478-E480 VanDerWaalsContact C-N 3.32Å; L478-E480 PolarHBondContact O-N 2.85Å; E480-W561 WeakPolarHBondContact OE1-CZ3 3.49Å
481	R	84.3	Confident	82.5	Confident	1 Å²	1	15.6 Å²	15.6	0%	0.004	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-8.2	-176.9	-64.8	171.4	170.8	80.6	-6.1	113.5	V264 K477 L478 E479 P483 H560 W561	V264-R481 HydrophobicContact CG2-CB 4.01Å; V264-R481 HydrophobicContact CG2-CG 4.15Å; V264-R481 PolarHBondContact N-O 2.83Å; V264-R481 VanDerWaalsContact N-O 3.1Å; K477-R481 PolarHBondContact O-NH1 3.19Å; L478-R481 PolarHBondContact O-N 2.77Å; L478-R481 VanDerWaalsContact O-N 3.15Å; E479-R481 PolarHBondContact O-N 3.46Å; E479-R481 VanDerWaalsContact O-N 3.08Å; R481-P483 WeakPolarHBondContact O-CD 3.21Å; R481-H560 PolarHBondContact NE-O 2.92Å; R481-H560 VanDerWaalsContact NE-O 3.11Å; R481-H560 PolarHBondContact NH2-O 3.42Å; R481-W561 HydrophobicContact CG-CE3 3.9Å; R481-W561 HydrophobicContact CG-CZ3 4.14Å
482	N	86.9	Confident	83.8	Confident	5 Å²	5	15.6 Å²	15.6	3%	0.027	9%	0.088	C	C	.	.			trans	-121.6	76.7	-174.2	-64.5	143.1	0	0	0	110.8	R236 Y262 L478 E479 S563	R236-N482 WeakPolarHBondContact CB-O 3.45Å; R236-N482 PolarHBondContact N-O 2.99Å; Y262-N482 PolarHBondContact O-ND2 3.13Å; L478-N482 PolarHBondContact O-N 3.3Å; L478-N482 PolarHBondContact O-OD1 3.2Å; E479-N482 CarbonylContact O-C 3.48Å; E479-N482 PolarHBondContact O-N 3.46Å; N482-S563 PolarHBondContact ND2-OG 3.18Å; N482-S563 PolarHBondContact OD1-OG 3.08Å
483	P	89	Confident	85.1	Confident	3 Å²	3	11.8 Å²	11.8	2%	0.019	6%	0.064	C	C	.	.	B	Isolated β-bridge	trans	-65.4	158.4	176.3	20.5	-26.4	0	0	0	112.9	Y262 V264 M432 R481 V485	Y262-P483 HydrophobicContact CD1-CG 3.54Å; Y262-P483 HydrophobicContact CE1-CG 3.58Å; V264-P483 HydrophobicContact CG1-CG 3.8Å; M432-P483 CarbonylContact O-C 3.57Å; M432-P483 VanDerWaalsContact O-CA 3.29Å; M432-P483 WeakPolarHBondContact O-CA 3.06Å; M432-P483 WeakPolarHBondContact O-CB 3.44Å; R481-P483 WeakPolarHBondContact O-CD 3.21Å; P483-V485 PolarHBondContact O-N 3.16Å
484	F	90.3	Very high	86	Confident	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	126.4	170.8	-179.1	-99.8	0	0	0	108.8	R236 F239 Y247 I250 V258 I430 I431 M432	R236-F484 HydrophobicContact CB-CB 4.42Å; R236-F484 HydrophobicContact CG-CB 4.43Å; R236-F484 HydrophobicContact CG-CD2 4.04Å; F239-F484 HydrophobicContact CB-CB 3.92Å; F239-F484 HydrophobicContact CB-CD2 4.42Å; F239-F484 HydrophobicContact CB-CG 4.21Å; F239-F484 HydrophobicContact CD1-CB 4.06Å; F239-F484 AromaticContact CD1-CD1 3.74Å; F239-F484 HydrophobicContact CD1-CD1 3.74Å; F239-F484 AromaticContact CD1-CD2 3.23Å; F239-F484 HydrophobicContact CD1-CD2 3.23Å; F239-F484 AromaticContact CD1-CE1 3.93Å; F239-F484 HydrophobicContact CD1-CE1 3.93Å; F239-F484 AromaticContact CD1-CE2 3.49Å; F239-F484 HydrophobicContact CD1-CE2 3.49Å; F239-F484 VanDerWaalsContact CD1-CE2 3.49Å; F239-F484 AromaticContact CD1-CG 3.38Å; F239-F484 HydrophobicContact CD1-CG 3.38Å; F239-F484 AromaticContact CD1-CZ 3.82Å; F239-F484 HydrophobicContact CD1-CZ 3.82Å; F239-F484 AromaticContact CE1-CD1 3.61Å; F239-F484 HydrophobicContact CE1-CD1 3.61Å; F239-F484 AromaticContact CE1-CD2 3.64Å; F239-F484 HydrophobicContact CE1-CD2 3.64Å; F239-F484 AromaticContact CE1-CE1 3.35Å; F239-F484 HydrophobicContact CE1-CE1 3.35Å; F239-F484 AromaticContact CE1-CE2 3.41Å; F239-F484 HydrophobicContact CE1-CE2 3.41Å; F239-F484 VanDerWaalsContact CE1-CE2 3.41Å; F239-F484 AromaticContact CE1-CG 3.75Å; F239-F484 HydrophobicContact CE1-CG 3.75Å; F239-F484 AromaticContact CE1-CZ 3.25Å; F239-F484 HydrophobicContact CE1-CZ 3.25Å; F239-F484 HydrophobicContact CE2-CD1 4.4Å; F239-F484 HydrophobicContact CG-CB 4.03Å; F239-F484 HydrophobicContact CG-CD1 4.2Å; F239-F484 HydrophobicContact CG-CD2 4.07Å; F239-F484 AromaticContact CG-CG 3.83Å; F239-F484 HydrophobicContact CG-CG 3.83Å; F239-F484 AromaticContact CZ-CD1 3.92Å; F239-F484 HydrophobicContact CZ-CD1 3.92Å; F239-F484 AromaticContact CZ-CE1 3.66Å; F239-F484 HydrophobicContact CZ-CE1 3.66Å; F239-F484 HydrophobicContact CZ-CE2 4.49Å; F239-F484 HydrophobicContact CZ-CG 4.42Å; F239-F484 AromaticContact CZ-CZ 3.98Å; F239-F484 HydrophobicContact CZ-CZ 3.98Å; Y247-F484 HydrophobicContact CD2-CD2 4.44Å; Y247-F484 AromaticContact CD2-CE2 3.66Å; Y247-F484 HydrophobicContact CD2-CE2 3.66Å; Y247-F484 HydrophobicContact CD2-CZ 4.26Å; Y247-F484 AromaticContact CE2-CE2 3.81Å; Y247-F484 HydrophobicContact CE2-CE2 3.81Å; I250-F484 HydrophobicContact CD1-CE1 4.02Å; I250-F484 HydrophobicContact CD1-CZ 4.08Å; I250-F484 HydrophobicContact CG2-CZ 4.47Å; V258-F484 HydrophobicContact CG1-CD2 4.3Å; V258-F484 HydrophobicContact CG1-CE2 3.89Å; V258-F484 HydrophobicContact CG2-CE2 3.88Å; V258-F484 HydrophobicContact CG2-CZ 4.19Å; I430-F484 HydrophobicContact CB-CE1 4.32Å; I430-F484 HydrophobicContact CG2-CD1 4.24Å; I430-F484 HydrophobicContact CG2-CE1 3.95Å; I431-F484 CarbonylContact C-O 3.5Å; I431-F484 WeakPolarHBondContact CA-O 3.23Å; M432-F484 HydrophobicContact CB-CB 4.19Å; M432-F484 HydrophobicContact CE-CB 4.12Å; M432-F484 HydrophobicContact CG-CB 4.46Å; M432-F484 HydrophobicContact CG-CD1 4.48Å; M432-F484 PolarHBondContact N-O 3.38Å; M432-F484 PolarHBondContact O-N 2.8Å; M432-F484 VanDerWaalsContact O-N 3.12Å
485	V	93.9	Very high	86.5	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	129.5	166.3	-179.1	0	0	0	0	108.9	V258 L259 Y262 I430 I431 P483 L517	V258-V485 CarbonylContact C-O 3.43Å; V258-V485 WeakPolarHBondContact CA-O 3.45Å; L259-V485 HydrophobicContact CB-CB 4.19Å; L259-V485 HydrophobicContact CB-CG1 4.5Å; L259-V485 HydrophobicContact CD1-CB 4.12Å; L259-V485 HydrophobicContact CD1-CG1 3.6Å; L259-V485 HydrophobicContact CG-CB 4.3Å; L259-V485 HydrophobicContact CG-CG1 4.07Å; L259-V485 PolarHBondContact N-O 3.22Å; Y262-V485 HydrophobicContact CD1-CG2 3.65Å; Y262-V485 HydrophobicContact CD2-CB 4.18Å; Y262-V485 HydrophobicContact CD2-CG1 4.48Å; Y262-V485 HydrophobicContact CD2-CG2 3.84Å; Y262-V485 HydrophobicContact CE1-CG2 3.69Å; Y262-V485 HydrophobicContact CE2-CG2 3.88Å; Y262-V485 HydrophobicContact CG-CB 4.17Å; Y262-V485 HydrophobicContact CG-CG2 3.68Å; I430-V485 CarbonylContact O-C 3.5Å; I430-V485 VanDerWaalsContact O-CA 3.27Å; I430-V485 WeakPolarHBondContact O-CA 3.46Å; I431-V485 HydrophobicContact CG1-CG1 4.31Å; I431-V485 HydrophobicContact CG1-CG2 4.47Å; I431-V485 HydrophobicContact CG2-CG2 4.17Å; P483-V485 PolarHBondContact O-N 3.16Å; V485-L517 HydrophobicContact CG1-CD1 4.27Å; V485-L517 HydrophobicContact CG1-CD2 4.34Å
486	S	94.4	Very high	87.1	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	145.5	170.8	-175.6	0	0	0	0	110.8	I250 T257 I430	I250-S486 WeakPolarHBondContact CG2-OG 3.2Å; T257-S486 WeakPolarHBondContact O-CA 3.49Å; T257-S486 PolarHBondContact O-OG 3.44Å; I430-S486 PolarHBondContact N-O 2.91Å; I430-S486 PolarHBondContact O-N 3.28Å
487	I	94	Very high	87.8	Confident	2 Å²	2	27.4 Å²	27.4	1%	0.01	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	125.2	173.4	-178.7	174.4	0	0	0	109.5	G256 T257 I427 Y428 F429 L489 V504 L542	G256-I487 WeakPolarHBondContact CA-O 3.36Å; T257-I487 PolarHBondContact N-O 3.5Å; T257-I487 PolarHBondContact O-N 3.06Å; I427-I487 HydrophobicContact CG2-CD1 4.13Å; I427-I487 HydrophobicContact CG2-CG1 4.03Å; Y428-I487 WeakPolarHBondContact O-CA 3.49Å; F429-I487 HydrophobicContact CD1-CB 4.42Å; F429-I487 HydrophobicContact CD1-CD1 4.37Å; F429-I487 HydrophobicContact CD1-CG1 4.29Å; F429-I487 HydrophobicContact CE1-CD1 3.67Å; F429-I487 HydrophobicContact CE1-CG1 4.07Å; F429-I487 HydrophobicContact CZ-CD1 4.08Å; I487-L489 HydrophobicContact CD1-CD2 3.86Å; I487-L489 HydrophobicContact CG1-CD2 4Å; I487-L489 HydrophobicContact CG1-CG 4.39Å; I487-V504 HydrophobicContact CD1-CG1 4.36Å; I487-V504 HydrophobicContact CG2-CG1 3.43Å; I487-V504 VanDerWaalsContact CG2-CG1 3.43Å; I487-L542 HydrophobicContact CD1-CD1 4.41Å
488	I	92.5	Very high	88.7	Confident	10 Å²	10	29.3 Å²	29.3	5%	0.051	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	125.6	174.4	-58.6	153.8	0	0	0	107.2	I250 L254 I427 Y428 I430	I250-I488 HydrophobicContact CG1-CD1 4.46Å; I250-I488 HydrophobicContact CG2-CD1 4.4Å; I250-I488 HydrophobicContact CG2-CG1 4.5Å; L254-I488 HydrophobicContact CB-CD1 4.19Å; L254-I488 HydrophobicContact CB-CG1 4.25Å; L254-I488 HydrophobicContact CB-CG2 4.11Å; L254-I488 HydrophobicContact CD1-CD1 3.72Å; I427-I488 WeakPolarHBondContact CA-O 3.05Å; Y428-I488 HydrophobicContact CD2-CB 4.4Å; Y428-I488 HydrophobicContact CD2-CG2 4.27Å; Y428-I488 PolarHBondContact N-O 3.02Å; Y428-I488 PolarHBondContact O-N 2.9Å; I430-I488 HydrophobicContact CD1-CD1 3.68Å; I430-I488 HydrophobicContact CG1-CD1 4.5Å
489	L	91.7	Very high	89.4	Confident	32 Å²	32	31.8 Å²	31.8	17%	0.168	17%	0.17	C	C	.	.			trans	-104.8	148.9	178.9	-61.1	177.5	0	0	0	109.6	I427 I487 F493 V501 V504 F543	I427-L489 HydrophobicContact CB-CD2 4.39Å; I427-L489 HydrophobicContact CD1-CD2 3.74Å; I427-L489 HydrophobicContact CG1-CD2 3.75Å; I427-L489 HydrophobicContact CG2-CD2 3.93Å; I487-L489 HydrophobicContact CD1-CD2 3.86Å; I487-L489 HydrophobicContact CG1-CD2 4Å; I487-L489 HydrophobicContact CG1-CG 4.39Å; L489-F493 HydrophobicContact CB-CB 4.45Å; L489-F493 HydrophobicContact CD1-CD1 4.08Å; L489-F493 HydrophobicContact CD1-CE1 4.45Å; L489-V501 HydrophobicContact CD1-CB 4.48Å; L489-V501 HydrophobicContact CD1-CG1 4.47Å; L489-V501 HydrophobicContact CD1-CG2 3.82Å; L489-V504 HydrophobicContact CD1-CB 4.49Å; L489-V504 HydrophobicContact CD1-CG1 4.48Å; L489-V504 HydrophobicContact CD1-CG2 4.27Å; L489-F543 HydrophobicContact CD1-CE1 4.35Å; L489-F543 HydrophobicContact CD2-CE1 4.04Å; L489-F543 HydrophobicContact CD2-CZ 4.37Å
490	P	88.3	Confident	90	Very high	5 Å²	5	32.2 Å²	32.2	3%	0.032	17%	0.173	C	C	.	.			trans	-71.6	147.4	178.1	26.7	-26.2	0	0	0	110.4	L224 S424 G426 W492 F493	L224-P490 HydrophobicContact CD1-CG 4.03Å; S424-P490 WeakPolarHBondContact O-CB 3.46Å; G426-P490 VanDerWaalsContact O-CD 3.24Å; G426-P490 WeakPolarHBondContact O-CD 3.37Å; P490-W492 VanDerWaalsContact C-N 3.3Å; P490-W492 HydrophobicContact CG-CD2 4.48Å; P490-W492 HydrophobicContact CG-CZ2 3.86Å; P490-W492 PolarHBondContact O-N 3.03Å; P490-W492 VanDerWaalsContact O-N 3.16Å; P490-F493 HydrophobicContact CG-CB 3.98Å; P490-F493 WeakPolarHBondContact O-CB 3.47Å; P490-F493 PolarHBondContact O-N 3.38Å
491	P	85.3	Confident	90.7	Very high	93 Å²	93	32.6 Å²	32.6	60%	0.604	18%	0.176	S	C	*	.	H	α-helix	trans	-54.2	-41.3	-172.4	-29.5	35.3	0	0	0	114.5	F493 E494	P491-F493 PolarHBondContact O-N 3.45Å; P491-F493 VanDerWaalsContact O-N 3.12Å; P491-E494 PolarHBondContact O-N 3.32Å
492	W	85.6	Confident	91.3	Very high	21 Å²	21	38.4 Å²	38.4	8%	0.08	20%	0.198	C	C	.	.	H	α-helix	trans	-63.5	-19.9	178.9	66.3	-99.3	0	0	0	113.7	F220 R222 L224 P490 E494 E495 T496 F497	F220-W492 HydrophobicContact CD1-CH2 4.48Å; F220-W492 AromaticContact CE1-CH2 3.85Å; F220-W492 HydrophobicContact CE1-CH2 3.85Å; F220-W492 AromaticContact CE1-CZ3 3.96Å; F220-W492 HydrophobicContact CE1-CZ3 3.96Å; R222-W492 HydrophobicContact CB-CH2 4.49Å; L224-W492 HydrophobicContact CD1-CH2 4.18Å; L224-W492 HydrophobicContact CD1-CZ2 3.8Å; P490-W492 VanDerWaalsContact C-N 3.3Å; P490-W492 HydrophobicContact CG-CD2 4.48Å; P490-W492 HydrophobicContact CG-CZ2 3.86Å; P490-W492 PolarHBondContact O-N 3.03Å; P490-W492 VanDerWaalsContact O-N 3.16Å; W492-E494 VanDerWaalsContact C-N 3.32Å; W492-E495 PolarHBondContact O-N 3.03Å; W492-T496 PolarHBondContact O-N 3.44Å; W492-T496 PolarHBondContact O-OG1 3.38Å; W492-F497 HydrophobicContact CZ3-CE2 4.46Å
493	F	88.2	Confident	91.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-68.5	-34.4	-178.8	-158.5	-88.6	0	0	0	111.2	F220 L224 I427 L489 P490 P491 T496 F497 A500 V501 F527 F543	F220-F493 HydrophobicContact CZ-CE2 4.13Å; L224-F493 HydrophobicContact CD2-CE2 4.26Å; I427-F493 HydrophobicContact CD1-CE2 4.39Å; L489-F493 HydrophobicContact CB-CB 4.45Å; L489-F493 HydrophobicContact CD1-CD1 4.08Å; L489-F493 HydrophobicContact CD1-CE1 4.45Å; P490-F493 HydrophobicContact CG-CB 3.98Å; P490-F493 WeakPolarHBondContact O-CB 3.47Å; P490-F493 PolarHBondContact O-N 3.38Å; P491-F493 PolarHBondContact O-N 3.45Å; P491-F493 VanDerWaalsContact O-N 3.12Å; F493-T496 PolarHBondContact O-N 3.14Å; F493-F497 HydrophobicContact CD1-CB 4.41Å; F493-F497 HydrophobicContact CD1-CD2 4.42Å; F493-F497 HydrophobicContact CD2-CD2 4.29Å; F493-F497 HydrophobicContact CE1-CB 4.21Å; F493-F497 HydrophobicContact CE1-CD2 4.26Å; F493-F497 HydrophobicContact CE2-CD2 4.11Å; F493-F497 HydrophobicContact CG-CD2 4.44Å; F493-F497 HydrophobicContact CZ-CD2 4.1Å; F493-F497 WeakPolarHBondContact O-CA 3.41Å; F493-F497 PolarHBondContact O-N 3.01Å; F493-A500 HydrophobicContact CE1-CB 4.29Å; F493-V501 HydrophobicContact CD1-CG2 3.83Å; F493-F527 HydrophobicContact CE1-CZ 4.11Å; F493-F527 HydrophobicContact CZ-CE1 4.18Å; F493-F527 HydrophobicContact CZ-CE2 4.06Å; F493-F527 AromaticContact CZ-CZ 3.61Å; F493-F527 HydrophobicContact CZ-CZ 3.61Å; F493-F543 AromaticContact CE1-CD1 3.98Å; F493-F543 HydrophobicContact CE1-CD1 3.98Å; F493-F543 AromaticContact CE1-CE1 3.51Å; F493-F543 HydrophobicContact CE1-CE1 3.51Å; F493-F543 HydrophobicContact CE1-CZ 4.16Å; F493-F543 HydrophobicContact CZ-CD1 4.3Å; F493-F543 AromaticContact CZ-CE1 3.69Å; F493-F543 HydrophobicContact CZ-CE1 3.69Å; F493-F543 AromaticContact CZ-CZ 3.86Å; F493-F543 HydrophobicContact CZ-CZ 3.86Å
494	E	88.6	Confident	92.2	Very high	114 Å²	114	38.6 Å²	38.6	53%	0.533	20%	0.199	S	C	.	.	H	α-helix	trans	-68.3	-41.1	174.2	-174.7	167.9	-165.1	0	0	111.7	P491 W492 T496 P498 V501	P491-E494 PolarHBondContact O-N 3.32Å; W492-E494 VanDerWaalsContact C-N 3.32Å; E494-T496 VanDerWaalsContact C-N 3.29Å; E494-T496 PolarHBondContact O-N 2.81Å; E494-P498 VanDerWaalsContact O-CA 3.25Å; E494-P498 WeakPolarHBondContact O-CA 3.41Å; E494-P498 WeakPolarHBondContact O-CB 3.13Å; E494-P498 VanDerWaalsContact O-CD 3.24Å; E494-P498 WeakPolarHBondContact O-CD 3.48Å; E494-P498 VanDerWaalsContact O-N 3.11Å; E494-V501 HydrophobicContact CB-CB 4.41Å; E494-V501 HydrophobicContact CB-CG1 4.32Å; E494-V501 HydrophobicContact CB-CG2 3.92Å; E494-V501 HydrophobicContact CG-CB 4.27Å; E494-V501 HydrophobicContact CG-CG1 4.14Å; E494-V501 HydrophobicContact CG-CG2 4.3Å
495	E	88.5	Confident	92.5	Very high	158 Å²	158	42.5 Å²	42.5	74%	0.738	22%	0.223	S	C	*	.	H	α-helix	trans	-61.1	-40.6	176	-59.6	174.8	172.9	0	0	111.6	W492	W492-E495 PolarHBondContact O-N 3.03Å
496	T	90.4	Very high	92.5	Very high	66 Å²	66	47.7 Å²	47.7	41%	0.405	25%	0.245	S	C	.	.	H	α-helix	trans	-83.8	-37.7	-175.7	-47.2	0	0	0	0	112.1	W492 F493 E494	W492-T496 PolarHBondContact O-N 3.44Å; W492-T496 PolarHBondContact O-OG1 3.38Å; F493-T496 PolarHBondContact O-N 3.14Å; E494-T496 VanDerWaalsContact C-N 3.29Å; E494-T496 PolarHBondContact O-N 2.81Å
497	F	92.1	Very high	92.6	Very high	45 Å²	45	47.7 Å²	47.7	20%	0.197	25%	0.245	C	C	.	.			trans	-134.2	60.8	-173.8	-53.7	-72	0	0	0	112.8	F220 W492 F493 T499 A500 V501 F527	F220-F497 AromaticContact CE1-CE2 3.47Å; F220-F497 HydrophobicContact CE1-CE2 3.47Å; F220-F497 VanDerWaalsContact CE1-CE2 3.47Å; F220-F497 AromaticContact CE1-CZ 3.92Å; F220-F497 HydrophobicContact CE1-CZ 3.92Å; F220-F497 HydrophobicContact CE2-CE2 4.28Å; F220-F497 HydrophobicContact CE2-CZ 4.27Å; F220-F497 HydrophobicContact CZ-CD2 4.13Å; F220-F497 AromaticContact CZ-CE2 3.18Å; F220-F497 HydrophobicContact CZ-CE2 3.18Å; F220-F497 AromaticContact CZ-CZ 3.52Å; F220-F497 HydrophobicContact CZ-CZ 3.52Å; W492-F497 HydrophobicContact CZ3-CE2 4.46Å; F493-F497 HydrophobicContact CD1-CB 4.41Å; F493-F497 HydrophobicContact CD1-CD2 4.42Å; F493-F497 HydrophobicContact CD2-CD2 4.29Å; F493-F497 HydrophobicContact CE1-CB 4.21Å; F493-F497 HydrophobicContact CE1-CD2 4.26Å; F493-F497 HydrophobicContact CE2-CD2 4.11Å; F493-F497 HydrophobicContact CG-CD2 4.44Å; F493-F497 HydrophobicContact CZ-CD2 4.1Å; F493-F497 WeakPolarHBondContact O-CA 3.41Å; F493-F497 PolarHBondContact O-N 3.01Å; F497-T499 PolarHBondContact O-N 3.03Å; F497-T499 VanDerWaalsContact O-N 3.09Å; F497-A500 HydrophobicContact CB-CB 3.9Å; F497-A500 WeakPolarHBondContact O-CB 3.39Å; F497-A500 PolarHBondContact O-N 2.99Å; F497-V501 PolarHBondContact O-N 3.08Å; F497-V501 VanDerWaalsContact O-N 3.16Å; F497-F527 HydrophobicContact CB-CE1 4.08Å; F497-F527 HydrophobicContact CB-CZ 4.49Å; F497-F527 HydrophobicContact CD1-CD1 4.02Å; F497-F527 AromaticContact CD1-CE1 3.46Å; F497-F527 HydrophobicContact CD1-CE1 3.46Å; F497-F527 VanDerWaalsContact CD1-CE1 3.46Å; F497-F527 HydrophobicContact CD2-CD1 4.39Å; F497-F527 AromaticContact CD2-CE1 3.74Å; F497-F527 HydrophobicContact CD2-CE1 3.74Å; F497-F527 AromaticContact CE1-CD1 3.71Å; F497-F527 HydrophobicContact CE1-CD1 3.71Å; F497-F527 AromaticContact CE1-CE1 3.65Å; F497-F527 HydrophobicContact CE1-CE1 3.65Å; F497-F527 HydrophobicContact CE2-CD1 4.15Å; F497-F527 AromaticContact CE2-CE1 3.97Å; F497-F527 HydrophobicContact CE2-CE1 3.97Å; F497-F527 HydrophobicContact CG-CD1 4.32Å; F497-F527 AromaticContact CG-CE1 3.47Å; F497-F527 HydrophobicContact CG-CE1 3.47Å; F497-F527 VanDerWaalsContact CG-CE1 3.47Å; F497-F527 HydrophobicContact CG-CZ 4.29Å; F497-F527 AromaticContact CZ-CD1 3.77Å; F497-F527 HydrophobicContact CZ-CD1 3.77Å; F497-F527 AromaticContact CZ-CE1 3.9Å; F497-F527 HydrophobicContact CZ-CE1 3.9Å
498	P	95.1	Very high	92.6	Very high	50 Å²	50	47.7 Å²	47.7	33%	0.325	25%	0.245	S	C	.	.	H	α-helix	trans	-62.8	-28.5	-173	24.7	-35.3	0	0	0	112.8	E494 R502	E494-P498 VanDerWaalsContact O-CA 3.25Å; E494-P498 WeakPolarHBondContact O-CA 3.41Å; E494-P498 WeakPolarHBondContact O-CB 3.13Å; E494-P498 VanDerWaalsContact O-CD 3.24Å; E494-P498 WeakPolarHBondContact O-CD 3.48Å; E494-P498 VanDerWaalsContact O-N 3.11Å; P498-R502 WeakPolarHBondContact O-CB 3.49Å; P498-R502 WeakPolarHBondContact O-CG 3.27Å; P498-R502 PolarHBondContact O-N 2.02Å
499	T	96.2	Very high	92.6	Very high	54 Å²	54	49.5 Å²	49.5	33%	0.331	26%	0.255	S	S	.	.	H	α-helix	trans	-68.7	-39.2	175	-57.8	0	0	0	0	112.1	F497 R502 N503	F497-T499 PolarHBondContact O-N 3.03Å; F497-T499 VanDerWaalsContact O-N 3.09Å; T499-R502 PolarHBondContact OG1-NH2 3.19Å; T499-N503 VanDerWaalsContact O-CG 3.27Å; T499-N503 PolarHBondContact O-N 2.85Å; T499-N503 PolarHBondContact O-ND2 2.89Å
500	A	95.2	Very high	92.7	Very high	9 Å²	9	51.7 Å²	51.7	7%	0.074	26%	0.261	C	S	.	.	H	α-helix	trans	-66.7	-43.4	178.5	0	0	0	0	0	110.7	F493 F497 N503 V504 F527 F543	F493-A500 HydrophobicContact CE1-CB 4.29Å; F497-A500 HydrophobicContact CB-CB 3.9Å; F497-A500 WeakPolarHBondContact O-CB 3.39Å; F497-A500 PolarHBondContact O-N 2.99Å; A500-N503 WeakPolarHBondContact O-CB 3.31Å; A500-N503 PolarHBondContact O-N 3.24Å; A500-N503 VanDerWaalsContact O-N 3.12Å; A500-V504 WeakPolarHBondContact O-CG2 3.48Å; A500-V504 PolarHBondContact O-N 3.47Å; A500-F527 HydrophobicContact CB-CZ 3.94Å; A500-F543 HydrophobicContact CB-CB 3.96Å; A500-F543 HydrophobicContact CB-CD1 3.87Å; A500-F543 HydrophobicContact CB-CG 4.27Å
501	V	94.4	Very high	93.1	Very high	16 Å²	16	51.7 Å²	51.7	10%	0.097	26%	0.261	C	S	.	.	H	α-helix	trans	-62.2	-46.3	176	179.1	0	0	0	0	111.7	L489 F493 E494 F497 N503 V504 V505	L489-V501 HydrophobicContact CD1-CB 4.48Å; L489-V501 HydrophobicContact CD1-CG1 4.47Å; L489-V501 HydrophobicContact CD1-CG2 3.82Å; F493-V501 HydrophobicContact CD1-CG2 3.83Å; E494-V501 HydrophobicContact CB-CB 4.41Å; E494-V501 HydrophobicContact CB-CG1 4.32Å; E494-V501 HydrophobicContact CB-CG2 3.92Å; E494-V501 HydrophobicContact CG-CB 4.27Å; E494-V501 HydrophobicContact CG-CG1 4.14Å; E494-V501 HydrophobicContact CG-CG2 4.3Å; F497-V501 PolarHBondContact O-N 3.08Å; F497-V501 VanDerWaalsContact O-N 3.16Å; V501-N503 PolarHBondContact O-N 2.89Å; V501-V504 WeakPolarHBondContact O-CB 3.48Å; V501-V504 PolarHBondContact O-N 3.5Å; V501-V504 VanDerWaalsContact O-N 3.13Å; V501-V505 WeakPolarHBondContact O-CG2 3.48Å; V501-V505 PolarHBondContact O-N 2.88Å
502	R	96.7	Very high	93.6	Very high	123 Å²	123	47.2 Å²	47.2	46%	0.464	23%	0.232	S	C	.	.	H	α-helix	trans	-58.8	-33.9	173.7	-75.8	-170.7	-59.5	-96.1	2.2	113.1	P498 T499 K506	P498-R502 WeakPolarHBondContact O-CB 3.49Å; P498-R502 WeakPolarHBondContact O-CG 3.27Å; P498-R502 PolarHBondContact O-N 2.02Å; T499-R502 PolarHBondContact OG1-NH2 3.19Å; R502-K506 WeakPolarHBondContact O-CB 3.49Å; R502-K506 VanDerWaalsContact O-CG 3.26Å; R502-K506 WeakPolarHBondContact O-CG 3.27Å; R502-K506 PolarHBondContact O-N 3.42Å; R502-K506 VanDerWaalsContact O-N 3.1Å
503	N	97.8	Very high	94	Very high	11 Å²	11	46.2 Å²	46.2	6%	0.059	23%	0.228	C	C	.	.	H	α-helix	trans	-70.1	-44	176.4	-75.4	-16.3	0	0	0	111	T499 A500 V501 V505 K506 N507 K531 L542 F543 K545	T499-N503 VanDerWaalsContact O-CG 3.27Å; T499-N503 PolarHBondContact O-N 2.85Å; T499-N503 PolarHBondContact O-ND2 2.89Å; A500-N503 WeakPolarHBondContact O-CB 3.31Å; A500-N503 PolarHBondContact O-N 3.24Å; A500-N503 VanDerWaalsContact O-N 3.12Å; V501-N503 PolarHBondContact O-N 2.89Å; N503-V505 PolarHBondContact O-N 2.66Å; N503-K506 PolarHBondContact O-N 3.32Å; N503-N507 VanDerWaalsContact O-CB 3.27Å; N503-N507 WeakPolarHBondContact O-CB 3.41Å; N503-N507 PolarHBondContact O-N 3.48Å; N503-N507 PolarHBondContact O-ND2 2.93Å; N503-N507 PolarHBondContact O-OD1 3.4Å; N503-K531 PolarHBondContact ND2-O 3.39Å; N503-K531 VanDerWaalsContact ND2-O 3.15Å; N503-L542 CarbonylContact C-O 3.48Å; N503-F543 WeakPolarHBondContact CB-O 3.24Å; N503-F543 PolarHBondContact ND2-O 3.01Å; N503-K545 PolarHBondContact ND2-N 2.99Å
504	V	96.7	Very high	94.4	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.012	23%	0.229	C	C	.	.	H	α-helix	trans	-55	-52	174.3	171.2	0	0	0	0	110.7	T257 I487 L489 A500 V501 K506 N507 G508 L542 F543	T257-V504 HydrophobicContact CG2-CG1 4.19Å; I487-V504 HydrophobicContact CD1-CG1 4.36Å; I487-V504 HydrophobicContact CG2-CG1 3.43Å; I487-V504 VanDerWaalsContact CG2-CG1 3.43Å; L489-V504 HydrophobicContact CD1-CB 4.49Å; L489-V504 HydrophobicContact CD1-CG1 4.48Å; L489-V504 HydrophobicContact CD1-CG2 4.27Å; A500-V504 WeakPolarHBondContact O-CG2 3.48Å; A500-V504 PolarHBondContact O-N 3.47Å; V501-V504 WeakPolarHBondContact O-CB 3.48Å; V501-V504 PolarHBondContact O-N 3.5Å; V501-V504 VanDerWaalsContact O-N 3.13Å; V504-K506 VanDerWaalsContact C-N 3.33Å; V504-K506 PolarHBondContact O-N 2.89Å; V504-N507 CarbonylContact O-C 3.48Å; V504-N507 WeakPolarHBondContact O-CA 3.33Å; V504-N507 WeakPolarHBondContact O-CB 3.46Å; V504-N507 PolarHBondContact O-N 3.36Å; V504-G508 PolarHBondContact O-N 3.12Å; V504-L542 WeakPolarHBondContact CA-O 3.21Å; V504-L542 HydrophobicContact CG2-CB 4.15Å; V504-L542 VanDerWaalsContact CG2-O 3.31Å; V504-L542 WeakPolarHBondContact CG2-O 3.42Å; V504-L542 PolarHBondContact N-O 2.66Å; V504-F543 HydrophobicContact CG2-CD1 3.69Å; V504-F543 HydrophobicContact CG2-CE1 4.01Å
505	V	96.1	Very high	94.8	Very high	82 Å²	82	41.1 Å²	41.1	50%	0.497	20%	0.204	S	C	.	.	H	α-helix	trans	-58	-43.1	178.2	175.3	0	0	0	0	111.9	V501 N503 N507 G508	V501-V505 WeakPolarHBondContact O-CG2 3.48Å; V501-V505 PolarHBondContact O-N 2.88Å; N503-V505 PolarHBondContact O-N 2.66Å; V505-N507 VanDerWaalsContact C-N 3.34Å; V505-N507 PolarHBondContact O-N 2.94Å; V505-G508 PolarHBondContact O-N 3.18Å
506	K	95.6	Very high	95.3	Very high	109 Å²	109	33.6 Å²	33.6	47%	0.474	17%	0.169	S	C	.	.	H	α-helix	trans	-65.6	-37.5	175.9	-76.6	174.7	-176.1	178.2	0	112.4	R502 N503 V504 G508 N509	R502-K506 WeakPolarHBondContact O-CB 3.49Å; R502-K506 VanDerWaalsContact O-CG 3.26Å; R502-K506 WeakPolarHBondContact O-CG 3.27Å; R502-K506 PolarHBondContact O-N 3.42Å; R502-K506 VanDerWaalsContact O-N 3.1Å; N503-K506 PolarHBondContact O-N 3.32Å; V504-K506 VanDerWaalsContact C-N 3.33Å; V504-K506 PolarHBondContact O-N 2.89Å; K506-G508 VanDerWaalsContact C-N 3.25Å; K506-G508 PolarHBondContact O-N 2.91Å; K506-N509 PolarHBondContact O-N 3.03Å
507	N	96.3	Very high	95.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-72.1	-18.7	-179.3	-69.1	-18.7	0	0	0	112.7	N503 V504 V505 N509 R510 L542 S544 I546	N503-N507 VanDerWaalsContact O-CB 3.27Å; N503-N507 WeakPolarHBondContact O-CB 3.41Å; N503-N507 PolarHBondContact O-N 3.48Å; N503-N507 PolarHBondContact O-ND2 2.93Å; N503-N507 PolarHBondContact O-OD1 3.4Å; V504-N507 CarbonylContact O-C 3.48Å; V504-N507 WeakPolarHBondContact O-CA 3.33Å; V504-N507 WeakPolarHBondContact O-CB 3.46Å; V504-N507 PolarHBondContact O-N 3.36Å; V505-N507 VanDerWaalsContact C-N 3.34Å; V505-N507 PolarHBondContact O-N 2.94Å; N507-N509 PolarHBondContact O-N 3.48Å; N507-R510 WeakPolarHBondContact O-CB 2.99Å; N507-R510 PolarHBondContact O-N 3.48Å; N507-L542 HydrophobicContact CB-CD2 4.15Å; N507-L542 PolarHBondContact ND2-O 2.91Å; N507-S544 PolarHBondContact ND2-O 3.26Å; N507-I546 HydrophobicContact CB-CD1 4.17Å; N507-I546 WeakPolarHBondContact OD1-CB 3.34Å; N507-I546 PolarHBondContact OD1-N 3.13Å
508	G	94.1	Very high	95.8	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.01	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-24.8	169.6	0	0	0	0	0	113.6	V258 E260 V504 V505 K506	V258-G508 VanDerWaalsContact O-CA 3.27Å; V258-G508 WeakPolarHBondContact O-CA 3.36Å; E260-G508 WeakPolarHBondContact CB-O 3.44Å; E260-G508 PolarHBondContact N-O 3.42Å; V504-G508 PolarHBondContact O-N 3.12Å; V505-G508 PolarHBondContact O-N 3.18Å; K506-G508 VanDerWaalsContact C-N 3.25Å; K506-G508 PolarHBondContact O-N 2.91Å
509	N	92.4	Very high	95.9	Very high	48 Å²	48	28.3 Å²	28.3	26%	0.257	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	31.5	175	-70.8	-106.4	0	0	0	112.3	K92 K506 N507	K92-N509 PolarHBondContact NZ-OD1 2.82Å; K506-N509 PolarHBondContact O-N 3.03Å; N507-N509 PolarHBondContact O-N 3.48Å
510	R	94.2	Very high	95.9	Very high	78 Å²	78	25.8 Å²	25.8	29%	0.294	12%	0.124	S	C	.	.	S	Bend	trans	-127.3	150.7	177.6	-63.5	-66.1	179.7	-138.8	-4.3	110.8	M261 N507 T512 I546 A548	M261-R510 WeakPolarHBondContact CB-O 3Å; N507-R510 WeakPolarHBondContact O-CB 2.99Å; N507-R510 PolarHBondContact O-N 3.48Å; R510-T512 PolarHBondContact O-N 3.23Å; R510-T512 VanDerWaalsContact O-N 3.09Å; R510-I546 HydrophobicContact CB-CB 4.1Å; R510-I546 HydrophobicContact CB-CG2 4.03Å; R510-I546 HydrophobicContact CG-CB 4.22Å; R510-I546 HydrophobicContact CG-CG2 4.44Å; R510-A548 VanDerWaalsContact CZ-CB 3.44Å
511	L	94.7	Very high	95.9	Very high	5 Å²	5	25.4 Å²	25.4	3%	0.026	12%	0.121	C	C	.	.			trans	-57	116.3	172.9	179.6	62.1	0	0	0	109.7	C100 N263 R550 D551 A555 I557	C100-L511 HydrophobicContact CB-CB 3.92Å; C100-L511 HydrophobicContact CB-CD2 3.98Å; C100-L511 HydrophobicContact CB-CG 4.42Å; N263-L511 HydrophobicContact CB-CD1 3.98Å; L511-R550 PolarHBondContact O-NH1 2.69Å; L511-D551 VanDerWaalsContact CD2-C 3.44Å; L511-D551 WeakPolarHBondContact CD2-O 3.26Å; L511-A555 HydrophobicContact CD2-CB 3.91Å; L511-A555 HydrophobicContact CG-CB 4.34Å; L511-I557 HydrophobicContact CD1-CD1 3.86Å; L511-I557 HydrophobicContact CD2-CD1 4.08Å; L511-I557 HydrophobicContact CG-CD1 4.26Å
512	T	95.9	Very high	95.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-130.2	156.8	-179.8	47.5	0	0	0	0	110.2	M261 Y262 N263 R510 D516 L542 I546	M261-T512 PolarHBondContact O-N 3.38Å; Y262-T512 WeakPolarHBondContact CA-O 3.44Å; Y262-T512 WeakPolarHBondContact CA-OG1 3.38Å; N263-T512 PolarHBondContact N-O 3.24Å; R510-T512 PolarHBondContact O-N 3.23Å; R510-T512 VanDerWaalsContact O-N 3.09Å; T512-D516 VanDerWaalsContact CA-OD2 3.24Å; T512-D516 WeakPolarHBondContact CA-OD2 2.97Å; T512-L542 HydrophobicContact CG2-CD2 3.6Å; T512-I546 HydrophobicContact CG2-CD1 3.53Å
513	T	95.7	Very high	95.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.117	C	C	.	.			trans	-142.6	166.3	-172.8	60.5	0	0	0	0	110.4	V265 F515 D516 L517 A555 I557	V265-T513 HydrophobicContact CG1-CG2 4.13Å; T513-F515 PolarHBondContact O-N 3.32Å; T513-F515 VanDerWaalsContact O-N 3.13Å; T513-F515 PolarHBondContact OG1-N 3.12Å; T513-D516 PolarHBondContact N-OD2 2.63Å; T513-D516 WeakPolarHBondContact O-CB 3.26Å; T513-D516 PolarHBondContact O-N 2.93Å; T513-D516 PolarHBondContact OG1-OD2 3.5Å; T513-L517 PolarHBondContact O-N 3.47Å; T513-A555 HydrophobicContact CG2-CB 3.88Å; T513-I557 HydrophobicContact CG2-CD1 3.67Å; T513-I557 HydrophobicContact CG2-CG1 3.72Å
514	P	95.5	Very high	95.2	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.006	12%	0.117	C	C	.	.	H	α-helix	trans	-45.2	-36.9	165.7	-34.6	37.4	0	0	0	115.4	Y262 N263 V265 P275 I276 D516 L517 H518	Y262-P514 HydrophobicContact CE1-CG 4.42Å; Y262-P514 WeakPolarHBondContact OH-CA 3.33Å; Y262-P514 VanDerWaalsContact OH-CD 3.3Å; Y262-P514 WeakPolarHBondContact OH-CD 3.27Å; Y262-P514 WeakPolarHBondContact OH-CG 3.48Å; N263-P514 WeakPolarHBondContact O-CD 3.4Å; V265-P514 HydrophobicContact CG2-CG 4.19Å; P275-P514 HydrophobicContact CB-CB 3.5Å; P275-P514 VanDerWaalsContact CB-CB 3.5Å; P275-P514 HydrophobicContact CG-CB 4.28Å; I276-P514 HydrophobicContact CG1-CB 3.81Å; P514-D516 VanDerWaalsContact C-N 3.28Å; P514-D516 PolarHBondContact O-N 3.41Å; P514-L517 PolarHBondContact O-N 2.82Å; P514-H518 PolarHBondContact O-N 3.37Å; P514-H518 VanDerWaalsContact O-N 3.15Å
515	F	97.7	Very high	94.6	Very high	5 Å²	5	24.9 Å²	24.9	2%	0.022	12%	0.123	C	C	.	.	H	α-helix	trans	-65.6	-30.5	178.2	-58.3	-66.4	0	0	0	113.1	V265 P275 G279 T281 T513 H518 A519 R538	V265-F515 HydrophobicContact CB-CE2 4.1Å; V265-F515 HydrophobicContact CG1-CD2 4.08Å; V265-F515 HydrophobicContact CG1-CE2 3.69Å; V265-F515 HydrophobicContact CG2-CE2 4.12Å; V265-F515 HydrophobicContact CG2-CZ 4.32Å; P275-F515 HydrophobicContact CB-CD1 3.77Å; P275-F515 HydrophobicContact CB-CE1 3.58Å; P275-F515 HydrophobicContact CB-CG 4.4Å; P275-F515 HydrophobicContact CB-CZ 4.08Å; P275-F515 HydrophobicContact CG-CE1 4.1Å; P275-F515 HydrophobicContact CG-CZ 4.25Å; G279-F515 WeakPolarHBondContact O-CD1 3.48Å; T281-F515 HydrophobicContact CG2-CE1 4.37Å; T281-F515 HydrophobicContact CG2-CZ 3.72Å; T513-F515 PolarHBondContact O-N 3.32Å; T513-F515 VanDerWaalsContact O-N 3.13Å; T513-F515 PolarHBondContact OG1-N 3.12Å; F515-H518 PolarHBondContact O-N 3.38Å; F515-A519 WeakPolarHBondContact O-CB 3.42Å; F515-A519 PolarHBondContact O-N 2.75Å; F515-R538 HydrophobicContact CB-CG 4.36Å; F515-R538 HydrophobicContact CD2-CG 3.77Å; F515-R538 VanDerWaalsContact CE1-NE 3.3Å; F515-R538 HydrophobicContact CE2-CG 4.17Å; F515-R538 HydrophobicContact CG-CG 4.01Å
516	D	98.1	Very high	94	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-72.1	-35.3	177	-58.9	-54	0	0	0	111.1	T512 T513 P514 A519 T520 I540 L542 R550	T512-D516 VanDerWaalsContact CA-OD2 3.24Å; T512-D516 WeakPolarHBondContact CA-OD2 2.97Å; T513-D516 PolarHBondContact N-OD2 2.63Å; T513-D516 WeakPolarHBondContact O-CB 3.26Å; T513-D516 PolarHBondContact O-N 2.93Å; T513-D516 PolarHBondContact OG1-OD2 3.5Å; P514-D516 VanDerWaalsContact C-N 3.28Å; P514-D516 PolarHBondContact O-N 3.41Å; D516-A519 PolarHBondContact O-N 3.29Å; D516-T520 WeakPolarHBondContact O-CB 3.32Å; D516-T520 PolarHBondContact O-N 3.32Å; D516-T520 PolarHBondContact O-OG1 2.72Å; D516-I540 WeakPolarHBondContact CA-O 3.37Å; D516-I540 WeakPolarHBondContact CB-O 3.26Å; D516-I540 PolarHBondContact OD1-N 3.12Å; D516-L542 HydrophobicContact CB-CD2 4.5Å; D516-R550 IonicContact OD1-CZ 3.51Å; D516-R550 IonicContact OD1-NH1 2.66Å; D516-R550 PolarHBondContact OD1-NH1 2.87Å; D516-R550 IonicContact OD1-NH2 2.88Å; D516-R550 PolarHBondContact OD1-NH2 3.42Å; D516-R550 IonicContact OD2-CZ 2.78Å; D516-R550 IonicContact OD2-NH1 3.81Å; D516-R550 PolarHBondContact OD2-NH1 3.23Å; D516-R550 IonicContact OD2-NH2 3.7Å; D516-R550 PolarHBondContact OD2-NH2 3.35Å
517	L	96.5	Very high	93.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-64.4	-43.9	173.4	-56.9	-175.9	0	0	0	110.7	L259 Y262 I276 F429 I431 V485 T513 P514 T520 V521 L542	L259-L517 HydrophobicContact CD1-CD2 4.04Å; Y262-L517 HydrophobicContact CE2-CD1 3.74Å; Y262-L517 HydrophobicContact CE2-CG 3.99Å; I276-L517 HydrophobicContact CD1-CD1 4.02Å; I276-L517 HydrophobicContact CG1-CB 4.42Å; I276-L517 HydrophobicContact CG1-CD1 4.2Å; I276-L517 HydrophobicContact CG2-CB 4.29Å; F429-L517 HydrophobicContact CD1-CD2 4.2Å; F429-L517 HydrophobicContact CE1-CD2 4.25Å; I431-L517 HydrophobicContact CD1-CD1 3.55Å; I431-L517 HydrophobicContact CG1-CD1 4.37Å; V485-L517 HydrophobicContact CG1-CD1 4.27Å; V485-L517 HydrophobicContact CG1-CD2 4.34Å; T513-L517 PolarHBondContact O-N 3.47Å; P514-L517 PolarHBondContact O-N 2.82Å; L517-T520 WeakPolarHBondContact O-CB 3.49Å; L517-T520 PolarHBondContact O-N 3.01Å; L517-V521 PolarHBondContact O-N 3.05Å; L517-L542 HydrophobicContact CD2-CD1 3.86Å
518	H	97.2	Very high	93.4	Very high	31 Å²	31	27.5 Å²	27.5	14%	0.144	14%	0.144	C	C	.	.	H	α-helix	trans	-59	-50.3	173	-174.7	78.2	0	0	0	112	P275 I276 T278 G279 P514 F515 T520 V521 K522	P275-H518 VanDerWaalsContact O-CB 3.26Å; P275-H518 WeakPolarHBondContact O-CB 3.43Å; I276-H518 VanDerWaalsContact O-CB 3.28Å; I276-H518 WeakPolarHBondContact O-CB 3.24Å; I276-H518 PolarHBondContact O-ND1 3.39Å; T278-H518 VanDerWaalsContact C-CE1 3.47Å; G279-H518 WeakPolarHBondContact CA-CD2 3.3Å; G279-H518 VanDerWaalsContact CA-CG 3.48Å; G279-H518 PolarHBondContact N-CE1 2.83Å; G279-H518 PolarHBondContact N-ND1 3.49Å; P514-H518 PolarHBondContact O-N 3.37Å; P514-H518 VanDerWaalsContact O-N 3.15Å; F515-H518 PolarHBondContact O-N 3.38Å; H518-T520 PolarHBondContact O-N 2.84Å; H518-V521 PolarHBondContact O-N 2.81Å; H518-K522 WeakPolarHBondContact O-CB 3.27Å; H518-K522 PolarHBondContact O-N 3.06Å
519	A	97.4	Very high	93.3	Very high	20 Å²	20	28.6 Å²	28.6	17%	0.165	15%	0.151	C	C	.	.	H	α-helix	trans	-60.9	-32	177.8	0	0	0	0	0	112.4	F515 D516 S523	F515-A519 WeakPolarHBondContact O-CB 3.42Å; F515-A519 PolarHBondContact O-N 2.75Å; D516-A519 PolarHBondContact O-N 3.29Å; A519-S523 WeakPolarHBondContact O-CB 3.4Å; A519-S523 PolarHBondContact O-N 2.67Å; A519-S523 PolarHBondContact O-OG 3.37Å
520	T	96	Very high	93.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-65.3	-51.4	175.3	-58.1	0	0	0	0	110.8	F429 D516 L517 H518 S523 L542 F543	F429-T520 HydrophobicContact CE1-CG2 4.28Å; F429-T520 HydrophobicContact CZ-CG2 4.03Å; D516-T520 WeakPolarHBondContact O-CB 3.32Å; D516-T520 PolarHBondContact O-N 3.32Å; D516-T520 PolarHBondContact O-OG1 2.72Å; L517-T520 WeakPolarHBondContact O-CB 3.49Å; L517-T520 PolarHBondContact O-N 3.01Å; H518-T520 PolarHBondContact O-N 2.84Å; T520-S523 PolarHBondContact O-N 3.33Å; T520-S523 PolarHBondContact O-OG 3.2Å; T520-L542 HydrophobicContact CG2-CB 4.16Å; T520-L542 WeakPolarHBondContact OG1-CB 3.31Å; T520-L542 VanDerWaalsContact OG1-CG 3.31Å; T520-L542 WeakPolarHBondContact OG1-CG 3.23Å; T520-L542 PolarHBondContact OG1-N 3.4Å; T520-F543 HydrophobicContact CG2-CD2 3.85Å; T520-F543 HydrophobicContact CG2-CE2 3.41Å; T520-F543 VanDerWaalsContact CG2-CE2 3.41Å; T520-F543 HydrophobicContact CG2-CZ 3.92Å
521	V	93.9	Very high	93.5	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.012	19%	0.188	C	C	.	.	H	α-helix	trans	-61.1	-46.5	175.6	171.8	0	0	0	0	111	I226 F228 I304 L308 F429 L517 H518 S523 L524	I226-V521 HydrophobicContact CD1-CG1 3.99Å; I226-V521 HydrophobicContact CG2-CG2 4.34Å; F228-V521 HydrophobicContact CE2-CG2 3.85Å; F228-V521 HydrophobicContact CZ-CG2 3.63Å; I304-V521 HydrophobicContact CD1-CG1 4.43Å; I304-V521 HydrophobicContact CG1-CG1 3.76Å; L308-V521 HydrophobicContact CD1-CG1 4.38Å; F429-V521 HydrophobicContact CE2-CG2 4.16Å; F429-V521 HydrophobicContact CZ-CG2 4.29Å; L517-V521 PolarHBondContact O-N 3.05Å; H518-V521 PolarHBondContact O-N 2.81Å; V521-S523 PolarHBondContact O-N 3.33Å; V521-L524 VanDerWaalsContact O-CB 3.27Å; V521-L524 WeakPolarHBondContact O-CB 3.39Å; V521-L524 PolarHBondContact O-N 2.81Å
522	K	93.2	Very high	93.6	Very high	84 Å²	84	38.8 Å²	38.8	37%	0.365	21%	0.212	S	C	.	.	H	α-helix	trans	-59.2	-36	178.7	-168.4	75	-173.4	-169.6	0	112.3	I304 E307 H518 L524 L525	I304-K522 HydrophobicContact CD1-CD 4.11Å; E307-K522 IonicContact OE1-NZ 3.4Å; E307-K522 PolarHBondContact OE1-NZ 2.85Å; E307-K522 IonicContact OE2-NZ 2.76Å; E307-K522 PolarHBondContact OE2-NZ 3.1Å; H518-K522 WeakPolarHBondContact O-CB 3.27Å; H518-K522 PolarHBondContact O-N 3.06Å; K522-L524 PolarHBondContact O-N 3.24Å; K522-L525 HydrophobicContact CD-CD1 3.93Å; K522-L525 WeakPolarHBondContact O-CB 3.19Å; K522-L525 WeakPolarHBondContact O-CG 3.33Å; K522-L525 PolarHBondContact O-N 2.6Å; K522-L525 VanDerWaalsContact O-N 3.17Å
523	S	92.5	Very high	93.6	Very high	15 Å²	15	39.3 Å²	39.3	11%	0.105	22%	0.218	C	C	.	.	H	α-helix	trans	-68.5	-17	177.8	71	0	0	0	0	114.2	A519 T520 V521 L525 N526 S541 F543	A519-S523 WeakPolarHBondContact O-CB 3.4Å; A519-S523 PolarHBondContact O-N 2.67Å; A519-S523 PolarHBondContact O-OG 3.37Å; T520-S523 PolarHBondContact O-N 3.33Å; T520-S523 PolarHBondContact O-OG 3.2Å; V521-S523 PolarHBondContact O-N 3.33Å; S523-L525 PolarHBondContact O-N 2.87Å; S523-N526 CarbonylContact O-C 3.57Å; S523-N526 PolarHBondContact O-N 3.28Å; S523-S541 PolarHBondContact OG-OG 3.49Å; S523-F543 WeakPolarHBondContact OG-CD2 3.44Å
524	L	88.8	Confident	93.7	Very high	11 Å²	11	43.6 Å²	43.6	6%	0.058	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-21	173.9	-60.1	172.9	0	0	0	112.2	L224 I226 I427 V521 K522 N526 F527 F543	L224-L524 HydrophobicContact CD2-CD1 3.9Å; L224-L524 HydrophobicContact CD2-CD2 3.67Å; L224-L524 HydrophobicContact CD2-CG 4.31Å; I226-L524 HydrophobicContact CD1-CD1 3.73Å; I226-L524 HydrophobicContact CG1-CD1 4.07Å; I427-L524 HydrophobicContact CD1-CD1 4.17Å; I427-L524 HydrophobicContact CD1-CD2 4.1Å; V521-L524 VanDerWaalsContact O-CB 3.27Å; V521-L524 WeakPolarHBondContact O-CB 3.39Å; V521-L524 PolarHBondContact O-N 2.81Å; K522-L524 PolarHBondContact O-N 3.24Å; L524-N526 VanDerWaalsContact C-N 3.33Å; L524-F527 HydrophobicContact CD2-CD2 4.14Å; L524-F527 HydrophobicContact CD2-CE2 4.29Å; L524-F543 HydrophobicContact CD2-CE2 3.63Å; L524-F543 HydrophobicContact CD2-CZ 4.02Å; L524-F543 HydrophobicContact CG-CE2 4.3Å
525	L	85.1	Confident	93.7	Very high	30 Å²	30	45.9 Å²	45.9	16%	0.157	25%	0.253	C	S	.	.	S	Bend	trans	-71.2	-31.8	178.5	-51.7	-171.5	0	0	0	111.9	S219 E307 L308 L311 K522 S523	S219-L525 WeakPolarHBondContact CB-O 3.23Å; S219-L525 PolarHBondContact OG-O 2.91Å; E307-L525 HydrophobicContact CG-CD1 4.08Å; E307-L525 VanDerWaalsContact OE1-CD1 3.24Å; E307-L525 WeakPolarHBondContact OE1-CD1 3.37Å; L308-L525 HydrophobicContact CD2-CD2 3.88Å; L311-L525 HydrophobicContact CD1-CD1 4.15Å; L311-L525 HydrophobicContact CD1-CD2 3.4Å; L311-L525 VanDerWaalsContact CD1-CD2 3.4Å; L311-L525 HydrophobicContact CD1-CG 4.26Å; K522-L525 HydrophobicContact CD-CD1 3.93Å; K522-L525 WeakPolarHBondContact O-CB 3.19Å; K522-L525 WeakPolarHBondContact O-CG 3.33Å; K522-L525 PolarHBondContact O-N 2.6Å; K522-L525 VanDerWaalsContact O-N 3.17Å; S523-L525 PolarHBondContact O-N 2.87Å
526	N	84.4	Confident	93.6	Very high	134 Å²	134	50.7 Å²	50.7	72%	0.717	29%	0.286	S	S	*	.	S	Bend	trans	-139.9	94.2	175.3	-174.4	15.8	0	0	0	110	S523 L524	S523-N526 CarbonylContact O-C 3.57Å; S523-N526 PolarHBondContact O-N 3.28Å; L524-N526 VanDerWaalsContact C-N 3.33Å
527	F	88.5	Confident	93.5	Very high	20 Å²	20	54.9 Å²	54.9	9%	0.088	31%	0.309	C	S	.	.			trans	-119	144.2	-169.5	-160.2	-87.6	0	0	0	110.9	F220 F493 F497 A500 L524 P529 F543	F220-F527 HydrophobicContact CD2-CB 4.05Å; F220-F527 HydrophobicContact CE2-CB 3.46Å; F220-F527 VanDerWaalsContact CE2-CB 3.46Å; F220-F527 AromaticContact CE2-CD1 3.63Å; F220-F527 HydrophobicContact CE2-CD1 3.63Å; F220-F527 HydrophobicContact CE2-CD2 4.34Å; F220-F527 AromaticContact CE2-CG 3.54Å; F220-F527 HydrophobicContact CE2-CG 3.54Å; F220-F527 AromaticContact CZ-CD1 3.87Å; F220-F527 HydrophobicContact CZ-CD1 3.87Å; F220-F527 HydrophobicContact CZ-CE1 4.4Å; F220-F527 HydrophobicContact CZ-CG 4.19Å; F493-F527 HydrophobicContact CE1-CZ 4.11Å; F493-F527 HydrophobicContact CZ-CE1 4.18Å; F493-F527 HydrophobicContact CZ-CE2 4.06Å; F493-F527 AromaticContact CZ-CZ 3.61Å; F493-F527 HydrophobicContact CZ-CZ 3.61Å; F497-F527 HydrophobicContact CB-CE1 4.08Å; F497-F527 HydrophobicContact CB-CZ 4.49Å; F497-F527 HydrophobicContact CD1-CD1 4.02Å; F497-F527 AromaticContact CD1-CE1 3.46Å; F497-F527 HydrophobicContact CD1-CE1 3.46Å; F497-F527 VanDerWaalsContact CD1-CE1 3.46Å; F497-F527 HydrophobicContact CD2-CD1 4.39Å; F497-F527 AromaticContact CD2-CE1 3.74Å; F497-F527 HydrophobicContact CD2-CE1 3.74Å; F497-F527 AromaticContact CE1-CD1 3.71Å; F497-F527 HydrophobicContact CE1-CD1 3.71Å; F497-F527 AromaticContact CE1-CE1 3.65Å; F497-F527 HydrophobicContact CE1-CE1 3.65Å; F497-F527 HydrophobicContact CE2-CD1 4.15Å; F497-F527 AromaticContact CE2-CE1 3.97Å; F497-F527 HydrophobicContact CE2-CE1 3.97Å; F497-F527 HydrophobicContact CG-CD1 4.32Å; F497-F527 AromaticContact CG-CE1 3.47Å; F497-F527 HydrophobicContact CG-CE1 3.47Å; F497-F527 VanDerWaalsContact CG-CE1 3.47Å; F497-F527 HydrophobicContact CG-CZ 4.29Å; F497-F527 AromaticContact CZ-CD1 3.77Å; F497-F527 HydrophobicContact CZ-CD1 3.77Å; F497-F527 AromaticContact CZ-CE1 3.9Å; F497-F527 HydrophobicContact CZ-CE1 3.9Å; A500-F527 HydrophobicContact CB-CZ 3.94Å; L524-F527 HydrophobicContact CD2-CD2 4.14Å; L524-F527 HydrophobicContact CD2-CE2 4.29Å; F527-P529 VanDerWaalsContact CE2-CD 3.49Å; F527-P529 HydrophobicContact CE2-CG 4.34Å; F527-F543 HydrophobicContact CD2-CD2 4.42Å; F527-F543 HydrophobicContact CE2-CB 4.1Å; F527-F543 HydrophobicContact CE2-CD1 4.32Å; F527-F543 AromaticContact CE2-CD2 3.5Å; F527-F543 HydrophobicContact CE2-CD2 3.5Å; F527-F543 VanDerWaalsContact CE2-CD2 3.5Å; F527-F543 AromaticContact CE2-CE2 3.88Å; F527-F543 HydrophobicContact CE2-CE2 3.88Å; F527-F543 AromaticContact CE2-CG 3.71Å; F527-F543 HydrophobicContact CE2-CG 3.71Å; F527-F543 HydrophobicContact CE2-CZ 4.43Å; F527-F543 HydrophobicContact CZ-CB 4.34Å; F527-F543 HydrophobicContact CZ-CD1 4.37Å; F527-F543 HydrophobicContact CZ-CD2 4.31Å; F527-F543 HydrophobicContact CZ-CG 4.09Å
528	P	89.8	Confident	93.4	Very high	92 Å²	92	58.5 Å²	58.5	60%	0.597	32%	0.323	S	S	*	.	S	Bend	cis	-82.9	149.4	3.4	32.9	-35	0	0	0	114.1
529	P	92.6	Very high	93.4	Very high	24 Å²	24	58 Å²	58	16%	0.156	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-72.4	171.3	171	31.2	-34.3	0	0	0	111.7	F527 F543	F527-P529 VanDerWaalsContact CE2-CD 3.49Å; F527-P529 HydrophobicContact CE2-CG 4.34Å; P529-F543 HydrophobicContact CG-CB 3.7Å
530	P	94.6	Very high	93.5	Very high	97 Å²	97	57.3 Å²	57.3	63%	0.63	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-53	145.2	173.8	-26.6	35.4	0	0	0	112.8	V532 S544	P530-V532 PolarHBondContact O-N 2.83Å; P530-S544 WeakPolarHBondContact O-CB 3.34Å; P530-S544 PolarHBondContact O-OG 2.99Å
531	K	95.8	Very high	93.5	Very high	159 Å²	159	57.8 Å²	57.8	69%	0.691	32%	0.323	S	S	*	.	S	Bend	trans	-64.1	-27.9	-177.4	-65.7	-177.1	-178.8	175.6	0	113.6	N503 K545	N503-K531 PolarHBondContact ND2-O 3.39Å; N503-K531 VanDerWaalsContact ND2-O 3.15Å; K531-K545 WeakPolarHBondContact O-CB 3.24Å; K531-K545 PolarHBondContact O-N 2.61Å
532	V	96.5	Very high	93.7	Very high	90 Å²	90	57.7 Å²	57.7	55%	0.545	32%	0.323	S	S	.	.	B	Isolated β-bridge	trans	-125.6	134	-179.2	-176.3	0	0	0	0	108.2	P530 P547	P530-V532 PolarHBondContact O-N 2.83Å; V532-P547 HydrophobicContact CG1-CG 4.46Å
533	G	96.3	Very high	93.9	Very high	11 Å²	11	53.9 Å²	53.9	11%	0.113	31%	0.306	C	S	.	.			trans	-71.8	148.3	177.2	0	0	0	0	0	112.3	K545	G533-K545 PolarHBondContact N-O 2.82Å
534	N	96.4	Very high	94.2	Very high	89 Å²	89	53.5 Å²	53.5	48%	0.476	30%	0.303	S	S	.	.			trans	-92.6	123.9	174.2	-173.6	-8.4	0	0	0	109.8	S536 N537	N534-S536 PolarHBondContact O-N 3.23Å; N534-S536 WeakPolarHBondContact OD1-CB 3.41Å; N534-S536 PolarHBondContact OD1-N 3.2Å; N534-S536 PolarHBondContact OD1-OG 2.62Å; N534-N537 WeakPolarHBondContact O-CB 3.2Å; N534-N537 PolarHBondContact O-N 2.73Å
535	L	95.7	Very high	94.6	Very high	50 Å²	50	57 Å²	57	26%	0.262	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-16	177.9	-67.2	178	0	0	0	113.6	N537 I540 P547 R550 N554	L535-N537 PolarHBondContact O-N 2.98Å; L535-I540 HydrophobicContact CD2-CD1 4.41Å; L535-P547 HydrophobicContact CD1-CB 4.2Å; L535-P547 HydrophobicContact CD1-CG 4.43Å; L535-P547 HydrophobicContact CD2-CB 3.98Å; L535-P547 HydrophobicContact CD2-CG 3.83Å; L535-P547 HydrophobicContact CG-CB 4.18Å; L535-P547 HydrophobicContact CG-CG 3.92Å; L535-R550 HydrophobicContact CD2-CB 3.76Å; L535-R550 HydrophobicContact CD2-CG 3.89Å; L535-N554 HydrophobicContact CD2-CB 4.41Å
536	S	95.9	Very high	95.2	Very high	105 Å²	105	55.6 Å²	55.6	73%	0.734	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-17.6	169.8	-54.2	0	0	0	0	112.9	N534	N534-S536 PolarHBondContact O-N 3.23Å; N534-S536 WeakPolarHBondContact OD1-CB 3.41Å; N534-S536 PolarHBondContact OD1-N 3.2Å; N534-S536 PolarHBondContact OD1-OG 2.62Å
537	N	96.5	Very high	95.7	Very high	88 Å²	88	50.4 Å²	50.4	47%	0.471	28%	0.284	S	S	.	.	S	Bend	trans	-93	122.3	176.5	-64.5	-12.2	0	0	0	109.6	N534 L535 G539	N534-N537 WeakPolarHBondContact O-CB 3.2Å; N534-N537 PolarHBondContact O-N 2.73Å; L535-N537 PolarHBondContact O-N 2.98Å; N537-G539 VanDerWaalsContact C-N 3.32Å; N537-G539 PolarHBondContact O-N 3.41Å
538	R	95.5	Very high	95.8	Very high	76 Å²	76	51.6 Å²	51.6	29%	0.287	30%	0.297	S	S	.	.	S	Bend	trans	-55.7	-46.5	175	179.1	175.6	68.5	-163.7	2.5	112.2	G279 E284 F515 R550	G279-R538 PolarHBondContact O-NH2 3.19Å; E284-R538 VanDerWaalsContact CD-NH1 3.29Å; E284-R538 IonicContact OE1-CZ 3.7Å; E284-R538 IonicContact OE1-NH1 3.68Å; E284-R538 PolarHBondContact OE1-NH1 3.13Å; E284-R538 IonicContact OE1-NH2 2.72Å; E284-R538 PolarHBondContact OE1-NH2 3.44Å; E284-R538 IonicContact OE2-CZ 3.18Å; E284-R538 IonicContact OE2-NH1 3.72Å; E284-R538 PolarHBondContact OE2-NH1 3.15Å; E284-R538 VanDerWaalsContact OE2-NH1 3.16Å; E284-R538 IonicContact OE2-NH2 3.57Å; E284-R538 PolarHBondContact OE2-NH2 3.26Å; F515-R538 HydrophobicContact CB-CG 4.36Å; F515-R538 HydrophobicContact CD2-CG 3.77Å; F515-R538 VanDerWaalsContact CE1-NE 3.3Å; F515-R538 HydrophobicContact CE2-CG 4.17Å; F515-R538 HydrophobicContact CG-CG 4.01Å; R538-R550 PolarHBondContact O-NH2 2.94Å
539	G	97.2	Very high	95.9	Very high	22 Å²	22	49.6 Å²	49.6	23%	0.227	29%	0.286	C	S	.	.	S	Bend	trans	-101.8	126.3	174.1	0	0	0	0	0	111.3	N537	N537-G539 VanDerWaalsContact C-N 3.32Å; N537-G539 PolarHBondContact O-N 3.41Å
540	I	98	Very high	96	Very high	5 Å²	5	48.6 Å²	48.6	3%	0.026	28%	0.279	C	S	.	.			trans	-116.7	126.3	176.7	-60.9	175.3	0	0	0	108	D516 L535 L542 I546	D516-I540 WeakPolarHBondContact CA-O 3.37Å; D516-I540 WeakPolarHBondContact CB-O 3.26Å; D516-I540 PolarHBondContact OD1-N 3.12Å; L535-I540 HydrophobicContact CD2-CD1 4.41Å; I540-L542 PolarHBondContact O-N 3.38Å; I540-I546 HydrophobicContact CB-CG1 4.2Å; I540-I546 HydrophobicContact CG2-CG1 3.79Å
541	S	97.5	Very high	95.8	Very high	10 Å²	10	46.7 Å²	46.7	7%	0.07	26%	0.263	C	S	.	.			trans	-56.9	134.4	174.2	174.5	0	0	0	0	110.9	S523 F543 S544	S523-S541 PolarHBondContact OG-OG 3.49Å; S541-F543 PolarHBondContact O-N 2.8Å; S541-F543 VanDerWaalsContact O-N 3.13Å; S541-F543 WeakPolarHBondContact OG-CD2 3.31Å; S541-F543 PolarHBondContact OG-N 2.95Å; S541-S544 WeakPolarHBondContact O-CB 3.49Å; S541-S544 PolarHBondContact O-N 3.14Å
542	L	97.7	Very high	95.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-16.1	177.1	-65.5	176.1	0	0	0	112.8	L259 I487 N503 V504 N507 T512 D516 L517 T520 I540 S544 I546	L259-L542 HydrophobicContact CD1-CD1 3.99Å; L259-L542 HydrophobicContact CD2-CD1 4.34Å; L259-L542 HydrophobicContact CD2-CD2 4.44Å; I487-L542 HydrophobicContact CD1-CD1 4.41Å; N503-L542 CarbonylContact C-O 3.48Å; V504-L542 WeakPolarHBondContact CA-O 3.21Å; V504-L542 HydrophobicContact CG2-CB 4.15Å; V504-L542 VanDerWaalsContact CG2-O 3.31Å; V504-L542 WeakPolarHBondContact CG2-O 3.42Å; V504-L542 PolarHBondContact N-O 2.66Å; N507-L542 HydrophobicContact CB-CD2 4.15Å; N507-L542 PolarHBondContact ND2-O 2.91Å; T512-L542 HydrophobicContact CG2-CD2 3.6Å; D516-L542 HydrophobicContact CB-CD2 4.5Å; L517-L542 HydrophobicContact CD2-CD1 3.86Å; T520-L542 HydrophobicContact CG2-CB 4.16Å; T520-L542 WeakPolarHBondContact OG1-CB 3.31Å; T520-L542 VanDerWaalsContact OG1-CG 3.31Å; T520-L542 WeakPolarHBondContact OG1-CG 3.23Å; T520-L542 PolarHBondContact OG1-N 3.4Å; I540-L542 PolarHBondContact O-N 3.38Å; L542-S544 VanDerWaalsContact C-N 3.28Å; L542-I546 HydrophobicContact CD2-CD1 3.97Å
543	F	97.1	Very high	95.4	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.018	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-14.6	172.3	-56.7	-59.3	0	0	0	113.2	I427 L489 F493 A500 N503 V504 T520 S523 L524 F527 P529 S541	I427-F543 HydrophobicContact CD1-CZ 3.69Å; L489-F543 HydrophobicContact CD1-CE1 4.35Å; L489-F543 HydrophobicContact CD2-CE1 4.04Å; L489-F543 HydrophobicContact CD2-CZ 4.37Å; F493-F543 AromaticContact CE1-CD1 3.98Å; F493-F543 HydrophobicContact CE1-CD1 3.98Å; F493-F543 AromaticContact CE1-CE1 3.51Å; F493-F543 HydrophobicContact CE1-CE1 3.51Å; F493-F543 HydrophobicContact CE1-CZ 4.16Å; F493-F543 HydrophobicContact CZ-CD1 4.3Å; F493-F543 AromaticContact CZ-CE1 3.69Å; F493-F543 HydrophobicContact CZ-CE1 3.69Å; F493-F543 AromaticContact CZ-CZ 3.86Å; F493-F543 HydrophobicContact CZ-CZ 3.86Å; A500-F543 HydrophobicContact CB-CB 3.96Å; A500-F543 HydrophobicContact CB-CD1 3.87Å; A500-F543 HydrophobicContact CB-CG 4.27Å; N503-F543 WeakPolarHBondContact CB-O 3.24Å; N503-F543 PolarHBondContact ND2-O 3.01Å; V504-F543 HydrophobicContact CG2-CD1 3.69Å; V504-F543 HydrophobicContact CG2-CE1 4.01Å; T520-F543 HydrophobicContact CG2-CD2 3.85Å; T520-F543 HydrophobicContact CG2-CE2 3.41Å; T520-F543 VanDerWaalsContact CG2-CE2 3.41Å; T520-F543 HydrophobicContact CG2-CZ 3.92Å; S523-F543 WeakPolarHBondContact OG-CD2 3.44Å; L524-F543 HydrophobicContact CD2-CE2 3.63Å; L524-F543 HydrophobicContact CD2-CZ 4.02Å; L524-F543 HydrophobicContact CG-CE2 4.3Å; F527-F543 HydrophobicContact CD2-CD2 4.42Å; F527-F543 HydrophobicContact CE2-CB 4.1Å; F527-F543 HydrophobicContact CE2-CD1 4.32Å; F527-F543 AromaticContact CE2-CD2 3.5Å; F527-F543 HydrophobicContact CE2-CD2 3.5Å; F527-F543 VanDerWaalsContact CE2-CD2 3.5Å; F527-F543 AromaticContact CE2-CE2 3.88Å; F527-F543 HydrophobicContact CE2-CE2 3.88Å; F527-F543 AromaticContact CE2-CG 3.71Å; F527-F543 HydrophobicContact CE2-CG 3.71Å; F527-F543 HydrophobicContact CE2-CZ 4.43Å; F527-F543 HydrophobicContact CZ-CB 4.34Å; F527-F543 HydrophobicContact CZ-CD1 4.37Å; F527-F543 HydrophobicContact CZ-CD2 4.31Å; F527-F543 HydrophobicContact CZ-CG 4.09Å; P529-F543 HydrophobicContact CG-CB 3.7Å; S541-F543 PolarHBondContact O-N 2.8Å; S541-F543 VanDerWaalsContact O-N 3.13Å; S541-F543 WeakPolarHBondContact OG-CD2 3.31Å; S541-F543 PolarHBondContact OG-N 2.95Å
544	S	98	Very high	95.3	Very high	6 Å²	6	40.7 Å²	40.7	4%	0.042	24%	0.244	C	C	.	.	S	Bend	trans	-95.4	139.7	170.1	-59.2	0	0	0	0	109.7	N507 P530 S541 L542 I546	N507-S544 PolarHBondContact ND2-O 3.26Å; P530-S544 WeakPolarHBondContact O-CB 3.34Å; P530-S544 PolarHBondContact O-OG 2.99Å; S541-S544 WeakPolarHBondContact O-CB 3.49Å; S541-S544 PolarHBondContact O-N 3.14Å; L542-S544 VanDerWaalsContact C-N 3.28Å; S544-I546 PolarHBondContact O-N 2.88Å; S544-I546 VanDerWaalsContact O-N 3.1Å
545	K	97.9	Very high	95.2	Very high	86 Å²	86	36.4 Å²	36.4	37%	0.374	22%	0.222	S	C	.	.	B	Isolated β-bridge	trans	-63.5	116.3	175.8	-175.3	-174.2	176.7	-169.8	0	109.6	N503 K531 G533 P547	N503-K545 PolarHBondContact ND2-N 2.99Å; K531-K545 WeakPolarHBondContact O-CB 3.24Å; K531-K545 PolarHBondContact O-N 2.61Å; G533-K545 PolarHBondContact N-O 2.82Å; K545-P547 WeakPolarHBondContact O-CD 3.25Å
546	I	97.4	Very high	95.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-72.3	125.1	173.5	-65.2	172.2	0	0	0	108.3	N507 R510 T512 I540 L542 S544 R550	N507-I546 HydrophobicContact CB-CD1 4.17Å; N507-I546 WeakPolarHBondContact OD1-CB 3.34Å; N507-I546 PolarHBondContact OD1-N 3.13Å; R510-I546 HydrophobicContact CB-CB 4.1Å; R510-I546 HydrophobicContact CB-CG2 4.03Å; R510-I546 HydrophobicContact CG-CB 4.22Å; R510-I546 HydrophobicContact CG-CG2 4.44Å; T512-I546 HydrophobicContact CG2-CD1 3.53Å; I540-I546 HydrophobicContact CB-CG1 4.2Å; I540-I546 HydrophobicContact CG2-CG1 3.79Å; L542-I546 HydrophobicContact CD2-CD1 3.97Å; S544-I546 PolarHBondContact O-N 2.88Å; S544-I546 VanDerWaalsContact O-N 3.1Å; I546-R550 HydrophobicContact CG2-CB 4.25Å
547	P	95.2	Very high	95	Very high	24 Å²	24	31 Å²	31	16%	0.156	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-59.4	139.8	179.1	-26.2	37	0	0	0	112.2	V532 L535 K545 S549 R550	V532-P547 HydrophobicContact CG1-CG 4.46Å; L535-P547 HydrophobicContact CD1-CB 4.2Å; L535-P547 HydrophobicContact CD1-CG 4.43Å; L535-P547 HydrophobicContact CD2-CB 3.98Å; L535-P547 HydrophobicContact CD2-CG 3.83Å; L535-P547 HydrophobicContact CG-CB 4.18Å; L535-P547 HydrophobicContact CG-CG 3.92Å; K545-P547 WeakPolarHBondContact O-CD 3.25Å; P547-S549 PolarHBondContact O-N 3.49Å; P547-R550 WeakPolarHBondContact O-CB 3.43Å; P547-R550 PolarHBondContact O-N 3.43Å; P547-R550 VanDerWaalsContact O-N 3.16Å
548	A	91	Very high	94.6	Very high	45 Å²	45	29.2 Å²	29.2	37%	0.372	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-21	179.6	0	0	0	0	0	113.3	R510 R550	R510-A548 VanDerWaalsContact CZ-CB 3.44Å; A548-R550 VanDerWaalsContact C-N 3.28Å
549	S	91.5	Very high	94.2	Very high	50 Å²	50	29.6 Å²	29.6	35%	0.35	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-0.8	178.1	57	0	0	0	0	113.7	P547 D551	P547-S549 PolarHBondContact O-N 3.49Å; S549-D551 PolarHBondContact O-N 3.39Å
550	R	93.9	Very high	93.5	Very high	4 Å²	4	29.8 Å²	29.8	2%	0.015	19%	0.188	C	C	.	.			trans	-61.8	129.9	178.9	-168.9	-178.5	-171.8	-172.3	9.8	110.3	C100 L511 D516 L535 R538 I546 P547 A548 N554	C100-R550 PolarHBondContact N-O 2.83Å; L511-R550 PolarHBondContact O-NH1 2.69Å; D516-R550 IonicContact OD1-CZ 3.51Å; D516-R550 IonicContact OD1-NH1 2.66Å; D516-R550 PolarHBondContact OD1-NH1 2.87Å; D516-R550 IonicContact OD1-NH2 2.88Å; D516-R550 PolarHBondContact OD1-NH2 3.42Å; D516-R550 IonicContact OD2-CZ 2.78Å; D516-R550 IonicContact OD2-NH1 3.81Å; D516-R550 PolarHBondContact OD2-NH1 3.23Å; D516-R550 IonicContact OD2-NH2 3.7Å; D516-R550 PolarHBondContact OD2-NH2 3.35Å; L535-R550 HydrophobicContact CD2-CB 3.76Å; L535-R550 HydrophobicContact CD2-CG 3.89Å; R538-R550 PolarHBondContact O-NH2 2.94Å; I546-R550 HydrophobicContact CG2-CB 4.25Å; P547-R550 WeakPolarHBondContact O-CB 3.43Å; P547-R550 PolarHBondContact O-N 3.43Å; P547-R550 VanDerWaalsContact O-N 3.16Å; A548-R550 VanDerWaalsContact C-N 3.28Å; R550-N554 HydrophobicContact CG-CB 3.95Å
551	D	91.6	Very high	92.9	Very high	56 Å²	56	30 Å²	30	30%	0.299	19%	0.188	S	C	.	.			trans	-115.2	179.9	174.5	63.8	23.7	0	0	0	111.5	L511 S549 A553 N554 A555	L511-D551 VanDerWaalsContact CD2-C 3.44Å; L511-D551 WeakPolarHBondContact CD2-O 3.26Å; S549-D551 PolarHBondContact O-N 3.39Å; D551-A553 VanDerWaalsContact C-N 3.27Å; D551-A553 PolarHBondContact O-N 3.18Å; D551-A553 WeakPolarHBondContact OD1-CB 3.28Å; D551-A553 PolarHBondContact OD1-N 3.28Å; D551-N554 PolarHBondContact N-OD1 3.12Å; D551-N554 PolarHBondContact O-N 3.48Å; D551-N554 PolarHBondContact OD1-N 2.92Å; D551-N554 PolarHBondContact OD1-ND2 2.91Å; D551-N554 PolarHBondContact OD1-OD1 2.79Å; D551-A555 WeakPolarHBondContact O-CB 3.46Å; D551-A555 PolarHBondContact O-N 3.42Å; D551-A555 VanDerWaalsContact O-N 3.1Å
552	C	92	Very high	92.6	Very high	7 Å²	7	29.7 Å²	29.7	5%	0.047	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-31.5	179.1	-74.6	0	0	0	0	113.3	A555 G556 I557 C562 C564	C552-A555 CarbonylContact O-C 3.55Å; C552-A555 PolarHBondContact O-N 3.04Å; C552-G556 PolarHBondContact O-N 2.81Å; C552-I557 HydrophobicContact CB-CB 4.05Å; C552-I557 HydrophobicContact CB-CD1 4.36Å; C552-I557 PolarHBondContact O-N 3.46Å; C552-C562 HydrophobicContact CB-CB 3.74Å; C552-C562 WeakPolarHBondContact CB-SG 3.31Å; C552-C562 WeakPolarHBondContact SG-CB 3Å; C552-C562 CovalentContact SG-SG 2.02Å; C552-C562 PolarHBondContact SG-SG 2.72Å; C552-C564 PolarHBondContact SG-SG 3.04Å
553	A	91.2	Very high	92.1	Very high	78 Å²	78	30 Å²	30	65%	0.645	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-45.7	178.2	0	0	0	0	0	111	D551 A555 G556	D551-A553 VanDerWaalsContact C-N 3.27Å; D551-A553 PolarHBondContact O-N 3.18Å; D551-A553 WeakPolarHBondContact OD1-CB 3.28Å; D551-A553 PolarHBondContact OD1-N 3.28Å; A553-A555 PolarHBondContact O-N 3Å; A553-G556 PolarHBondContact O-N 2.98Å
554	N	93.8	Very high	91.6	Very high	49 Å²	49	30.2 Å²	30.2	26%	0.262	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-34.3	174.2	-53.2	155.3	0	0	0	111.9	L535 R550 D551 G556	L535-N554 HydrophobicContact CD2-CB 4.41Å; R550-N554 HydrophobicContact CG-CB 3.95Å; D551-N554 PolarHBondContact N-OD1 3.12Å; D551-N554 PolarHBondContact O-N 3.48Å; D551-N554 PolarHBondContact OD1-N 2.92Å; D551-N554 PolarHBondContact OD1-ND2 2.91Å; D551-N554 PolarHBondContact OD1-OD1 2.79Å; N554-G556 VanDerWaalsContact C-N 3.3Å
555	A	95.5	Very high	91	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-5.4	179.4	0	0	0	0	0	113.9	L511 T513 D551 C552 A553 I557	L511-A555 HydrophobicContact CD2-CB 3.91Å; L511-A555 HydrophobicContact CG-CB 4.34Å; T513-A555 HydrophobicContact CG2-CB 3.88Å; D551-A555 WeakPolarHBondContact O-CB 3.46Å; D551-A555 PolarHBondContact O-N 3.42Å; D551-A555 VanDerWaalsContact O-N 3.1Å; C552-A555 CarbonylContact O-C 3.55Å; C552-A555 PolarHBondContact O-N 3.04Å; A553-A555 PolarHBondContact O-N 3Å; A555-I557 VanDerWaalsContact C-N 3.32Å; A555-I557 HydrophobicContact CB-CD1 3.79Å; A555-I557 HydrophobicContact CB-CG1 3.91Å
556	G	93.3	Very high	90.1	Very high	32 Å²	32	27.6 Å²	27.6	33%	0.33	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	31.2	-178.1	0	0	0	0	0	113.7	C552 A553 N554	C552-G556 PolarHBondContact O-N 2.81Å; A553-G556 PolarHBondContact O-N 2.98Å; N554-G556 VanDerWaalsContact C-N 3.3Å
557	I	92.5	Very high	89.4	Confident	8 Å²	8	29.9 Å²	29.9	4%	0.041	19%	0.191	C	C	.	.			trans	-92.9	123	178.4	-55.6	165.8	0	0	0	108.5	N263 V265 L511 T513 C552 A555 W561 C562	N263-I557 HydrophobicContact CB-CD1 3.9Å; N263-I557 WeakPolarHBondContact ND2-CG2 3.37Å; V265-I557 HydrophobicContact CG1-CG1 4.13Å; L511-I557 HydrophobicContact CD1-CD1 3.86Å; L511-I557 HydrophobicContact CD2-CD1 4.08Å; L511-I557 HydrophobicContact CG-CD1 4.26Å; T513-I557 HydrophobicContact CG2-CD1 3.67Å; T513-I557 HydrophobicContact CG2-CG1 3.72Å; C552-I557 HydrophobicContact CB-CB 4.05Å; C552-I557 HydrophobicContact CB-CD1 4.36Å; C552-I557 PolarHBondContact O-N 3.46Å; A555-I557 VanDerWaalsContact C-N 3.32Å; A555-I557 HydrophobicContact CB-CD1 3.79Å; A555-I557 HydrophobicContact CB-CG1 3.91Å; I557-W561 HydrophobicContact CG2-CB 3.93Å; I557-C562 HydrophobicContact CG2-CB 4.13Å
558	P	89.1	Confident	88.8	Confident	52 Å²	52	31.9 Å²	31.9	34%	0.338	20%	0.197	S	C	.	.			trans	-58.7	143.7	171.8	-21.9	32.7	0	0	0	111.7	V265 H560 W561 C562	V265-P558 WeakPolarHBondContact O-CD 3.34Å; P558-H560 VanDerWaalsContact C-N 3.26Å; P558-H560 PolarHBondContact O-N 2.98Å; P558-H560 VanDerWaalsContact O-N 3.12Å; P558-W561 WeakPolarHBondContact O-CA 3.38Å; P558-W561 PolarHBondContact O-N 3.4Å; P558-C562 PolarHBondContact O-N 3.26Å; P558-C562 VanDerWaalsContact O-N 3.16Å
559	L	86.2	Confident	88.5	Confident	84 Å²	84	36.2 Å²	36.2	44%	0.44	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-33.9	-170.3	-63.7	177.9	0	0	0	114.2	W561 C562 E616 D618	L559-W561 VanDerWaalsContact C-N 3.29Å; L559-W561 PolarHBondContact O-N 3.46Å; L559-C562 WeakPolarHBondContact O-CB 3.42Å; L559-C562 PolarHBondContact O-N 3.32Å; L559-E616 HydrophobicContact CD2-CG 4.36Å; L559-D618 HydrophobicContact CB-CB 3.98Å
560	H	82	Confident	88.2	Confident	26 Å²	26	34.9 Å²	34.9	12%	0.12	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-17.1	177.5	57.8	-86.1	0	0	0	114.3	R481 P558 D618 F622 F635	R481-H560 PolarHBondContact NE-O 2.92Å; R481-H560 VanDerWaalsContact NE-O 3.11Å; R481-H560 PolarHBondContact NH2-O 3.42Å; P558-H560 VanDerWaalsContact C-N 3.26Å; P558-H560 PolarHBondContact O-N 2.98Å; P558-H560 VanDerWaalsContact O-N 3.12Å; H560-D618 HydrophobicContact CB-CB 4.12Å; H560-F622 HydrophobicContact CB-CB 4.04Å; H560-F622 HydrophobicContact CB-CD2 3.91Å; H560-F622 HydrophobicContact CB-CG 4.2Å; H560-F622 AromaticContact CD2-CD2 3.68Å; H560-F622 AromaticContact CD2-CE2 3.66Å; H560-F635 HydrophobicContact CB-CE1 3.99Å; H560-F635 HydrophobicContact CB-CZ 4.36Å
561	W	87.3	Confident	87.8	Confident	9 Å²	9	36.6 Å²	36.6	3%	0.034	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-14.6	173.1	-69.4	116	0	0	0	112.8	N263 V264 D267 E480 R481 I557 P558 L559 S563 F622	N263-W561 PolarHBondContact ND2-O 3.48Å; N263-W561 PolarHBondContact OD1-O 2.95Å; V264-W561 HydrophobicContact CG2-CD2 4.31Å; V264-W561 HydrophobicContact CG2-CE3 3.63Å; V264-W561 HydrophobicContact CG2-CZ3 4.28Å; D267-W561 HydrophobicContact CB-CH2 4.05Å; D267-W561 HydrophobicContact CB-CZ2 3.63Å; E480-W561 WeakPolarHBondContact OE1-CZ3 3.49Å; R481-W561 HydrophobicContact CG-CE3 3.9Å; R481-W561 HydrophobicContact CG-CZ3 4.14Å; I557-W561 HydrophobicContact CG2-CB 3.93Å; P558-W561 WeakPolarHBondContact O-CA 3.38Å; P558-W561 PolarHBondContact O-N 3.4Å; L559-W561 VanDerWaalsContact C-N 3.29Å; L559-W561 PolarHBondContact O-N 3.46Å; W561-S563 PolarHBondContact O-N 2.76Å; W561-S563 VanDerWaalsContact O-N 3.16Å; W561-F622 AromaticContact CH2-CE1 3.82Å; W561-F622 HydrophobicContact CH2-CE1 3.82Å; W561-F622 AromaticContact CH2-CZ 3.77Å; W561-F622 HydrophobicContact CH2-CZ 3.77Å; W561-F622 HydrophobicContact CZ2-CE1 4.1Å; W561-F622 HydrophobicContact CZ2-CE2 4.27Å; W561-F622 AromaticContact CZ2-CZ 3.59Å; W561-F622 HydrophobicContact CZ2-CZ 3.59Å; W561-F622 HydrophobicContact CZ3-CE1 4.42Å
562	C	89.2	Confident	87.6	Confident	3 Å²	3	35.8 Å²	35.8	2%	0.02	21%	0.205	C	C	.	.			trans	-71.7	104	-176.5	178.7	0	0	0	0	111.8	C552 I557 P558 L559 C564 F619	C552-C562 HydrophobicContact CB-CB 3.74Å; C552-C562 WeakPolarHBondContact CB-SG 3.31Å; C552-C562 WeakPolarHBondContact SG-CB 3Å; C552-C562 CovalentContact SG-SG 2.02Å; C552-C562 PolarHBondContact SG-SG 2.72Å; I557-C562 HydrophobicContact CG2-CB 4.13Å; P558-C562 PolarHBondContact O-N 3.26Å; P558-C562 VanDerWaalsContact O-N 3.16Å; L559-C562 WeakPolarHBondContact O-CB 3.42Å; L559-C562 PolarHBondContact O-N 3.32Å; C562-C564 PolarHBondContact O-N 2.74Å; C562-F619 WeakPolarHBondContact O-CD2 3.39Å
563	S	87.6	Confident	87.2	Confident	8 Å²	8	38.2 Å²	38.2	6%	0.056	22%	0.218	C	C	.	.			trans	-80.9	-2.8	175.2	85.3	0	0	0	0	113.9	P103 N263 N482 W561 L565	P103-S563 WeakPolarHBondContact CD-O 3.29Å; P103-S563 WeakPolarHBondContact CG-O 3.43Å; N263-S563 VanDerWaalsContact OD1-CB 3.3Å; N263-S563 WeakPolarHBondContact OD1-CB 3.31Å; N263-S563 PolarHBondContact OD1-N 2.68Å; N263-S563 PolarHBondContact OD1-OG 3.13Å; N482-S563 PolarHBondContact ND2-OG 3.18Å; N482-S563 PolarHBondContact OD1-OG 3.08Å; W561-S563 PolarHBondContact O-N 2.76Å; W561-S563 VanDerWaalsContact O-N 3.16Å; S563-L565 PolarHBondContact O-N 3.33Å
564	C	87.7	Confident	86.9	Confident	7 Å²	7	34.5 Å²	34.5	5%	0.047	19%	0.187	C	C	.	.			trans	-61.8	137.5	175.8	-64.4	0	0	0	0	111.3	C100 C552 C562	C100-C564 HydrophobicContact CB-CB 3.81Å; C100-C564 WeakPolarHBondContact CB-SG 3.4Å; C100-C564 WeakPolarHBondContact SG-CB 3.15Å; C100-C564 CovalentContact SG-SG 2.02Å; C100-C564 PolarHBondContact SG-SG 2.69Å; C552-C564 PolarHBondContact SG-SG 3.04Å; C562-C564 PolarHBondContact O-N 2.74Å
565	L	84.8	Confident	86.3	Confident	5 Å²	5	32.3 Å²	32.3	3%	0.026	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-89.8	149.8	164.5	-50.5	179.2	0	0	0	109.1	V101 P103 S563 Q614 P615 V641	V101-L565 HydrophobicContact CB-CB 4.1Å; V101-L565 VanDerWaalsContact CB-O 3.27Å; V101-L565 WeakPolarHBondContact CB-O 3.1Å; V101-L565 PolarHBondContact N-O 2.84Å; V101-L565 PolarHBondContact O-N 2.96Å; P103-L565 HydrophobicContact CB-CD1 4.14Å; P103-L565 HydrophobicContact CB-CG 4.15Å; S563-L565 PolarHBondContact O-N 3.33Å; L565-Q614 WeakPolarHBondContact CA-O 3.45Å; L565-P615 HydrophobicContact CD2-CB 3.87Å; L565-V641 HydrophobicContact CD2-CG1 4.35Å
566	S	80	Confident	85.8	Confident	33 Å²	33	32.3 Å²	32.3	23%	0.231	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	141.9	170.9	57.5	0	0	0	0	110.4	K568 S613 Q614	S566-K568 PolarHBondContact O-N 3.28Å; S566-S613 WeakPolarHBondContact O-CA 3.27Å; S566-Q614 PolarHBondContact N-O 2.85Å; S566-Q614 PolarHBondContact O-N 3.32Å; S566-Q614 PolarHBondContact OG-O 2.78Å
567	W	81.5	Confident	85.6	Confident	47 Å²	47	30.8 Å²	30.8	18%	0.178	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	110.7	173.4	-73.1	114.7	0	0	0	109.9	V101 Y611 S645 R647 T662	V101-W567 HydrophobicContact CG1-CZ2 4.36Å; V101-W567 VanDerWaalsContact CG2-CD1 3.44Å; V101-W567 HydrophobicContact CG2-CG 4.23Å; V101-W567 VanDerWaalsContact CG2-NE1 3.3Å; W567-Y611 HydrophobicContact CB-CD1 4.49Å; W567-S645 WeakPolarHBondContact CZ3-O 3.32Å; W567-R647 HydrophobicContact CE3-CB 4.42Å; W567-R647 HydrophobicContact CH2-CB 3.92Å; W567-R647 HydrophobicContact CZ3-CB 3.82Å; W567-T662 HydrophobicContact CH2-CG2 4.31Å
568	K	83.2	Confident	85.3	Confident	66 Å²	66	31.1 Å²	31.1	29%	0.287	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	122.2	173.9	-69.4	179.2	-173.6	171.7	0	109.6	S566 Y611 V612 Q614	S566-K568 PolarHBondContact O-N 3.28Å; K568-Y611 WeakPolarHBondContact O-CA 3.22Å; K568-V612 PolarHBondContact N-O 3.1Å; K568-V612 PolarHBondContact O-N 2.79Å; K568-Q614 HydrophobicContact CD-CB 3.96Å; K568-Q614 HydrophobicContact CD-CG 4.32Å
569	K	85.5	Confident	85.3	Confident	136 Å²	136	29.4 Å²	29.4	59%	0.591	15%	0.147	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-66.3	133.4	174.9	-168.7	169.8	-175.8	165.5	0	108.8	A610 Y611	K569-A610 WeakPolarHBondContact CA-O 3.39Å; K569-Y611 HydrophobicContact CB-CD1 3.82Å; K569-Y611 HydrophobicContact CB-CE1 3.71Å; K569-Y611 HydrophobicContact CD-CE1 4.1Å; K569-Y611 HydrophobicContact CG-CD1 4.24Å; K569-Y611 HydrophobicContact CG-CE1 3.89Å
570	F	84	Confident	85.5	Confident	23 Å²	23	25.5 Å²	25.5	10%	0.101	13%	0.127	C	C	.	.			trans	-128.2	171.8	174.4	73.7	-82.6	0	0	0	110.8	V53 T572 A574 I576 S577 A610 Y611 V612 Y646	V53-F570 HydrophobicContact CG1-CD2 4.4Å; F570-T572 PolarHBondContact O-N 3.03Å; F570-A574 HydrophobicContact CD2-CB 3.98Å; F570-A574 HydrophobicContact CE2-CB 4.04Å; F570-I576 HydrophobicContact CD2-CG2 4.44Å; F570-I576 HydrophobicContact CE2-CG2 3.56Å; F570-I576 HydrophobicContact CZ-CG2 4.16Å; F570-S577 WeakPolarHBondContact CE2-OG 3.1Å; F570-S577 WeakPolarHBondContact CZ-OG 3.49Å; F570-A610 HydrophobicContact CD1-CB 4.06Å; F570-A610 WeakPolarHBondContact CD1-O 3.45Å; F570-A610 HydrophobicContact CD2-CB 4.37Å; F570-A610 HydrophobicContact CE1-CB 3.65Å; F570-A610 HydrophobicContact CE2-CB 4.02Å; F570-A610 HydrophobicContact CG-CB 4.4Å; F570-A610 HydrophobicContact CZ-CB 3.64Å; F570-A610 PolarHBondContact N-O 3.27Å; F570-Y611 WeakPolarHBondContact CE1-O 3.36Å; F570-V612 HydrophobicContact CD1-CB 4.01Å; F570-V612 HydrophobicContact CD1-CG1 3.91Å; F570-V612 HydrophobicContact CE1-CB 4.09Å; F570-V612 HydrophobicContact CE1-CG1 4.48Å; F570-Y646 AromaticContact CE1-CD1 3.79Å; F570-Y646 HydrophobicContact CE1-CD1 3.79Å; F570-Y646 HydrophobicContact CE1-CE1 4.13Å; F570-Y646 AromaticContact CZ-CD1 3.74Å; F570-Y646 HydrophobicContact CZ-CD1 3.74Å; F570-Y646 AromaticContact CZ-CE1 3.97Å; F570-Y646 HydrophobicContact CZ-CE1 3.97Å
571	S	85.7	Confident	86	Confident	39 Å²	39	24.2 Å²	24.2	27%	0.273	12%	0.121	S	C	.	.			trans	-61.9	126.5	-172.8	178.6	0	0	0	0	111.7	D573 A574 S577	S571-D573 PolarHBondContact O-N 3.29Å; S571-D573 PolarHBondContact OG-N 3.49Å; S571-A574 WeakPolarHBondContact O-CB 3.28Å; S571-A574 PolarHBondContact O-N 3.41Å; S571-S577 PolarHBondContact O-OG 3.47Å; S571-S577 VanDerWaalsContact O-OG 3.1Å
572	T	87	Confident	86.3	Confident	40 Å²	40	24.8 Å²	24.8	25%	0.245	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-24.2	171.2	51.3	0	0	0	0	112.2	F570 A574 S577 V607 L608 A610	F570-T572 PolarHBondContact O-N 3.03Å; T572-A574 VanDerWaalsContact C-N 3.3Å; T572-A574 PolarHBondContact O-N 2.92Å; T572-S577 WeakPolarHBondContact O-CB 3.44Å; T572-V607 WeakPolarHBondContact CB-O 3.38Å; T572-V607 HydrophobicContact CG2-CG1 4.24Å; T572-L608 WeakPolarHBondContact CG2-O 3.31Å; T572-A610 HydrophobicContact CG2-CB 4.31Å
573	D	84.7	Confident	86.4	Confident	57 Å²	57	25.9 Å²	25.9	31%	0.305	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-0.6	173.6	-71.7	-40.3	0	0	0	114.6	R56 A57 S571	R56-D573 WeakPolarHBondContact CA-O 3.2Å; A57-D573 PolarHBondContact N-O 2.78Å; S571-D573 PolarHBondContact O-N 3.29Å; S571-D573 PolarHBondContact OG-N 3.49Å
574	A	84.1	Confident	86.7	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.127	C	C	.	.	B	Isolated β-bridge	trans	-64.3	143.7	177.3	0	0	0	0	0	110.2	F570 S571 T572 I576 S577 W578	F570-A574 HydrophobicContact CD2-CB 3.98Å; F570-A574 HydrophobicContact CE2-CB 4.04Å; S571-A574 WeakPolarHBondContact O-CB 3.28Å; S571-A574 PolarHBondContact O-N 3.41Å; T572-A574 VanDerWaalsContact C-N 3.3Å; T572-A574 PolarHBondContact O-N 2.92Å; A574-I576 HydrophobicContact CB-CG2 4.1Å; A574-I576 PolarHBondContact O-N 2.82Å; A574-S577 WeakPolarHBondContact O-CB 3.46Å; A574-S577 PolarHBondContact O-N 2.74Å; A574-W578 PolarHBondContact O-N 3.23Å
575	L	82.1	Confident	86.9	Confident	3 Å²	3	25.6 Å²	25.6	2%	0.016	13%	0.127	C	C	.	.	H	α-helix	trans	-61.2	-34.3	-176.3	-167.3	60.7	0	0	0	112.2	Y52 L55 R67 L68 L71 S577 W578 Y579	Y52-L575 HydrophobicContact CD1-CB 4.36Å; Y52-L575 HydrophobicContact CD1-CD2 3.74Å; Y52-L575 HydrophobicContact CD1-CG 4.2Å; Y52-L575 HydrophobicContact CE1-CD2 3.89Å; L55-L575 HydrophobicContact CB-CB 4.33Å; L55-L575 HydrophobicContact CD1-CD2 4.49Å; L55-L575 PolarHBondContact O-N 3.39Å; R67-L575 HydrophobicContact CB-CD1 4.34Å; L68-L575 HydrophobicContact CD1-CD1 4.46Å; L68-L575 HydrophobicContact CD2-CD1 3.68Å; L68-L575 HydrophobicContact CD2-CD2 4.24Å; L68-L575 HydrophobicContact CD2-CG 3.65Å; L68-L575 HydrophobicContact CG-CD1 3.72Å; L68-L575 HydrophobicContact CG-CG 4.28Å; L71-L575 HydrophobicContact CD1-CD2 3.57Å; L575-S577 VanDerWaalsContact C-N 3.35Å; L575-W578 PolarHBondContact O-N 3.12Å; L575-Y579 WeakPolarHBondContact O-CB 3.42Å; L575-Y579 PolarHBondContact O-N 3.2Å
576	I	84.5	Confident	87.3	Confident	1 Å²	1	29.3 Å²	29.3	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-64.5	-35.4	174.4	-168.7	61.5	0	0	0	112.5	V53 F570 A574 Y579 I580 Y646	V53-I576 HydrophobicContact CG2-CG2 3.87Å; F570-I576 HydrophobicContact CD2-CG2 4.44Å; F570-I576 HydrophobicContact CE2-CG2 3.56Å; F570-I576 HydrophobicContact CZ-CG2 4.16Å; A574-I576 HydrophobicContact CB-CG2 4.1Å; A574-I576 PolarHBondContact O-N 2.82Å; I576-Y579 HydrophobicContact CD1-CD1 4.17Å; I576-Y579 PolarHBondContact O-N 3.22Å; I576-I580 HydrophobicContact CD1-CD1 4.14Å; I576-I580 HydrophobicContact CD1-CG1 4.17Å; I576-I580 HydrophobicContact CG1-CD1 3.81Å; I576-I580 HydrophobicContact CG1-CG1 4.27Å; I576-I580 WeakPolarHBondContact O-CB 3.5Å; I576-I580 VanDerWaalsContact O-CG1 3.31Å; I576-I580 WeakPolarHBondContact O-CG1 3.32Å; I576-I580 PolarHBondContact O-N 3.21Å; I576-Y646 HydrophobicContact CG1-CE1 4.3Å
577	S	88.6	Confident	87.9	Confident	0 Å²	0	28 Å²	28	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-63.5	-46.4	177.1	-62.7	0	0	0	0	111.2	F570 S571 T572 A574 L575 Y579 G581 L648	F570-S577 WeakPolarHBondContact CE2-OG 3.1Å; F570-S577 WeakPolarHBondContact CZ-OG 3.49Å; S571-S577 PolarHBondContact O-OG 3.47Å; S571-S577 VanDerWaalsContact O-OG 3.1Å; T572-S577 WeakPolarHBondContact O-CB 3.44Å; A574-S577 WeakPolarHBondContact O-CB 3.46Å; A574-S577 PolarHBondContact O-N 2.74Å; L575-S577 VanDerWaalsContact C-N 3.35Å; S577-Y579 VanDerWaalsContact C-N 3.33Å; S577-G581 PolarHBondContact O-N 3.43Å; S577-L648 VanDerWaalsContact O-CD2 3.23Å; S577-L648 WeakPolarHBondContact O-CD2 3.15Å
578	W	87.4	Confident	88.3	Confident	14 Å²	14	26.6 Å²	26.6	5%	0.053	13%	0.129	C	C	.	.	H	α-helix	trans	-66	-37.5	176.2	-71.7	105.3	0	0	0	112.1	Y61 A64 L68 A574 L575 D582 L604 V607	Y61-W578 AromaticContact CD2-CE3 3.52Å; Y61-W578 HydrophobicContact CD2-CE3 3.52Å; Y61-W578 AromaticContact CD2-CZ3 3.53Å; Y61-W578 HydrophobicContact CD2-CZ3 3.53Å; Y61-W578 HydrophobicContact CE2-CE3 4.38Å; Y61-W578 HydrophobicContact CG-CE3 4.38Å; Y61-W578 HydrophobicContact CG-CZ3 4.04Å; A64-W578 HydrophobicContact CB-CB 3.82Å; A64-W578 HydrophobicContact CB-CD2 4.01Å; A64-W578 HydrophobicContact CB-CG 3.62Å; L68-W578 HydrophobicContact CD1-CB 4.28Å; A574-W578 PolarHBondContact O-N 3.23Å; L575-W578 PolarHBondContact O-N 3.12Å; W578-D582 VanDerWaalsContact O-CB 3.32Å; W578-D582 WeakPolarHBondContact O-CB 3.46Å; W578-D582 PolarHBondContact O-N 3.29Å; W578-L604 HydrophobicContact CE3-CD2 3.63Å; W578-L604 HydrophobicContact CE3-CG 4.48Å; W578-L604 HydrophobicContact CZ3-CD2 3.91Å; W578-L604 HydrophobicContact CZ3-CG 4.28Å; W578-V607 HydrophobicContact CD2-CG2 4.47Å; W578-V607 HydrophobicContact CE3-CG2 4.29Å
579	Y	89.2	Confident	88.8	Confident	17 Å²	17	25.5 Å²	25.5	7%	0.067	13%	0.127	C	C	.	.	H	α-helix	trans	-63.7	-52.5	176.7	-176.5	-127.2	0	0	0	112.1	L68 L75 P76 V78 L575 I576 S577 G581 D582 E583 L672	L68-Y579 HydrophobicContact CD1-CD2 4.47Å; L68-Y579 HydrophobicContact CD2-CD2 4.11Å; L68-Y579 HydrophobicContact CD2-CG 4.18Å; L75-Y579 HydrophobicContact CB-CE1 3.92Å; L75-Y579 HydrophobicContact CB-CE2 4.11Å; L75-Y579 HydrophobicContact CD1-CD2 3.6Å; L75-Y579 HydrophobicContact CD1-CE2 3.52Å; L75-Y579 HydrophobicContact CD1-CG 4.19Å; L75-Y579 HydrophobicContact CD2-CD1 4.07Å; L75-Y579 HydrophobicContact CD2-CD2 4.34Å; L75-Y579 HydrophobicContact CD2-CE1 4.29Å; L75-Y579 HydrophobicContact CD2-CG 4.09Å; L75-Y579 HydrophobicContact CG-CD2 4.42Å; L75-Y579 HydrophobicContact CG-CE1 4.46Å; L75-Y579 HydrophobicContact CG-CE2 4.27Å; P76-Y579 HydrophobicContact CG-CE1 3.89Å; P76-Y579 PolarHBondContact O-OH 3.16Å; V78-Y579 HydrophobicContact CG2-CE1 4.49Å; V78-Y579 WeakPolarHBondContact CG2-OH 3Å; L575-Y579 WeakPolarHBondContact O-CB 3.42Å; L575-Y579 PolarHBondContact O-N 3.2Å; I576-Y579 HydrophobicContact CD1-CD1 4.17Å; I576-Y579 PolarHBondContact O-N 3.22Å; S577-Y579 VanDerWaalsContact C-N 3.33Å; Y579-G581 VanDerWaalsContact C-N 3.31Å; Y579-G581 PolarHBondContact O-N 2.93Å; Y579-D582 PolarHBondContact O-N 3.39Å; Y579-E583 HydrophobicContact CD2-CG 3.97Å; Y579-E583 HydrophobicContact CE1-CG 4.48Å; Y579-E583 HydrophobicContact CE2-CG 3.51Å; Y579-E583 WeakPolarHBondContact CE2-OE1 3.2Å; Y579-E583 VanDerWaalsContact O-CG 3.3Å; Y579-E583 WeakPolarHBondContact O-CG 3.02Å; Y579-E583 PolarHBondContact O-N 3.35Å; Y579-L672 HydrophobicContact CD1-CD1 3.79Å; Y579-L672 HydrophobicContact CE1-CD1 3.47Å; Y579-L672 VanDerWaalsContact CE1-CD1 3.47Å
580	I	90.5	Very high	89.1	Confident	1 Å²	1	24.8 Å²	24.8	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-61.4	-43.1	178.5	-65.4	170.6	0	0	0	110.2	I576 D582 E583 L584 Y646 L648 V663 L672	I576-I580 HydrophobicContact CD1-CD1 4.14Å; I576-I580 HydrophobicContact CD1-CG1 4.17Å; I576-I580 HydrophobicContact CG1-CD1 3.81Å; I576-I580 HydrophobicContact CG1-CG1 4.27Å; I576-I580 WeakPolarHBondContact O-CB 3.5Å; I576-I580 VanDerWaalsContact O-CG1 3.31Å; I576-I580 WeakPolarHBondContact O-CG1 3.32Å; I576-I580 PolarHBondContact O-N 3.21Å; I580-D582 PolarHBondContact O-N 3.46Å; I580-E583 PolarHBondContact O-N 2.99Å; I580-L584 HydrophobicContact CG2-CD1 3.91Å; I580-L584 HydrophobicContact CG2-CG 4.31Å; I580-L584 WeakPolarHBondContact O-CB 2.98Å; I580-L584 VanDerWaalsContact O-CG 3.29Å; I580-L584 WeakPolarHBondContact O-CG 3.48Å; I580-L584 PolarHBondContact O-N 3.42Å; I580-Y646 HydrophobicContact CD1-CD1 3.9Å; I580-Y646 HydrophobicContact CD1-CD2 3.83Å; I580-Y646 HydrophobicContact CD1-CE2 4.45Å; I580-Y646 HydrophobicContact CD1-CG 3.51Å; I580-L648 HydrophobicContact CB-CD1 4.32Å; I580-L648 HydrophobicContact CB-CD2 3.85Å; I580-L648 HydrophobicContact CD1-CD1 4.17Å; I580-L648 HydrophobicContact CG2-CD1 3.95Å; I580-L648 HydrophobicContact CG2-CD2 3.85Å; I580-L648 HydrophobicContact CG2-CG 4.46Å; I580-V663 HydrophobicContact CG2-CB 4.16Å; I580-V663 HydrophobicContact CG2-CG1 4.47Å; I580-V663 HydrophobicContact CG2-CG2 3.72Å; I580-L672 HydrophobicContact CG1-CD1 4.13Å; I580-L672 HydrophobicContact CG1-CD2 4.48Å
581	G	92.4	Very high	89.2	Confident	0 Å²	0	28 Å²	28	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-59.5	-43.3	176.6	0	0	0	0	0	113.4	S577 Y579 V585	S577-G581 PolarHBondContact O-N 3.43Å; Y579-G581 VanDerWaalsContact C-N 3.31Å; Y579-G581 PolarHBondContact O-N 2.93Å; G581-V585 WeakPolarHBondContact O-CG2 3.5Å; G581-V585 PolarHBondContact O-N 3.39Å; G581-V585 VanDerWaalsContact O-N 3.1Å
582	D	91.8	Very high	89.3	Confident	20 Å²	20	28.6 Å²	28.6	11%	0.107	14%	0.14	C	C	.	.	H	α-helix	trans	-66.2	-42.7	178.4	177.9	52.8	0	0	0	111.3	Y61 I65 W578 Y579 I580 V585 K586	Y61-D582 PolarHBondContact OH-OD1 3.24Å; Y61-D582 VanDerWaalsContact OH-OD1 3.13Å; I65-D582 HydrophobicContact CD1-CB 4.2Å; W578-D582 VanDerWaalsContact O-CB 3.32Å; W578-D582 WeakPolarHBondContact O-CB 3.46Å; W578-D582 PolarHBondContact O-N 3.29Å; Y579-D582 PolarHBondContact O-N 3.39Å; I580-D582 PolarHBondContact O-N 3.46Å; D582-V585 PolarHBondContact O-N 3.28Å; D582-K586 WeakPolarHBondContact O-CG 3.38Å; D582-K586 PolarHBondContact O-N 3.5Å; D582-K586 VanDerWaalsContact OD2-CE 3.23Å; D582-K586 WeakPolarHBondContact OD2-CE 3.29Å; D582-K586 IonicContact OD2-NZ 2.85Å; D582-K586 PolarHBondContact OD2-NZ 3.48Å
583	E	92.4	Very high	89.3	Confident	27 Å²	27	32 Å²	32	13%	0.126	15%	0.152	C	C	.	.	H	α-helix	trans	-69.1	-34.1	178.5	-64.6	-65.7	154	0	0	112.7	V78 Y579 I580 K586 A587 I674	V78-E583 HydrophobicContact CG1-CB 4.34Å; V78-E583 HydrophobicContact CG2-CB 3.95Å; V78-E583 HydrophobicContact CG2-CG 3.66Å; Y579-E583 HydrophobicContact CD2-CG 3.97Å; Y579-E583 HydrophobicContact CE1-CG 4.48Å; Y579-E583 HydrophobicContact CE2-CG 3.51Å; Y579-E583 WeakPolarHBondContact CE2-OE1 3.2Å; Y579-E583 VanDerWaalsContact O-CG 3.3Å; Y579-E583 WeakPolarHBondContact O-CG 3.02Å; Y579-E583 PolarHBondContact O-N 3.35Å; I580-E583 PolarHBondContact O-N 2.99Å; E583-K586 PolarHBondContact O-N 3.48Å; E583-K586 IonicContact OE1-NZ 2.59Å; E583-K586 PolarHBondContact OE1-NZ 2.94Å; E583-K586 IonicContact OE2-NZ 3.99Å; E583-A587 WeakPolarHBondContact O-CB 3.39Å; E583-A587 PolarHBondContact O-N 3.02Å; E583-I674 HydrophobicContact CB-CD1 4.16Å
584	L	92.8	Very high	89.4	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-61.3	-48.4	169.3	-78	167.1	0	0	0	111.6	I580 K586 A587 F588 I650 A661 V663 I674	I580-L584 HydrophobicContact CG2-CD1 3.91Å; I580-L584 HydrophobicContact CG2-CG 4.31Å; I580-L584 WeakPolarHBondContact O-CB 2.98Å; I580-L584 VanDerWaalsContact O-CG 3.29Å; I580-L584 WeakPolarHBondContact O-CG 3.48Å; I580-L584 PolarHBondContact O-N 3.42Å; L584-K586 VanDerWaalsContact C-N 3.32Å; L584-K586 PolarHBondContact O-N 2.95Å; L584-A587 WeakPolarHBondContact O-CB 3.46Å; L584-A587 PolarHBondContact O-N 2.93Å; L584-A587 VanDerWaalsContact O-N 3.13Å; L584-F588 HydrophobicContact CB-CE1 4.46Å; L584-F588 HydrophobicContact CB-CZ 4.21Å; L584-F588 HydrophobicContact CD2-CE1 4.28Å; L584-F588 HydrophobicContact CD2-CZ 4.36Å; L584-F588 WeakPolarHBondContact O-CD1 3.5Å; L584-F588 VanDerWaalsContact O-CG 3.23Å; L584-F588 WeakPolarHBondContact O-CG 3.49Å; L584-F588 PolarHBondContact O-N 2.98Å; L584-I650 HydrophobicContact CB-CD1 4.12Å; L584-I650 HydrophobicContact CD1-CD1 4.31Å; L584-A661 HydrophobicContact CD1-CB 3.65Å; L584-A661 HydrophobicContact CD2-CB 3.65Å; L584-A661 HydrophobicContact CG-CB 4.32Å; L584-V663 HydrophobicContact CD1-CG2 4.29Å; L584-V663 HydrophobicContact CD2-CG2 3.94Å; L584-V663 HydrophobicContact CG-CG2 4.24Å; L584-I674 HydrophobicContact CD2-CD1 4.19Å; L584-I674 HydrophobicContact CD2-CG1 4.42Å; L584-I674 HydrophobicContact CD2-CG2 3.76Å; L584-I674 HydrophobicContact CG-CD1 4.38Å
585	V	93.2	Very high	89.6	Confident	7 Å²	7	41.4 Å²	41.4	4%	0.042	19%	0.191	C	C	.	.	H	α-helix	trans	-64.3	-37.7	179.2	171.1	0	0	0	0	111.6	G581 D582 F588 N589 L602 L604 I650 T652	G581-V585 WeakPolarHBondContact O-CG2 3.5Å; G581-V585 PolarHBondContact O-N 3.39Å; G581-V585 VanDerWaalsContact O-N 3.1Å; D582-V585 PolarHBondContact O-N 3.28Å; V585-F588 PolarHBondContact O-N 3.43Å; V585-N589 WeakPolarHBondContact O-CB 3.4Å; V585-N589 PolarHBondContact O-N 2.96Å; V585-N589 PolarHBondContact O-ND2 3.1Å; V585-L602 HydrophobicContact CG1-CB 4.06Å; V585-L602 VanDerWaalsContact CG1-O 3.24Å; V585-L602 WeakPolarHBondContact CG1-O 2.84Å; V585-L604 HydrophobicContact CG2-CB 3.98Å; V585-L604 HydrophobicContact CG2-CD1 4.18Å; V585-I650 HydrophobicContact CG2-CD1 4Å; V585-T652 HydrophobicContact CG2-CG2 3.78Å
586	K	92.6	Very high	89.6	Confident	84 Å²	84	47.6 Å²	47.6	37%	0.365	22%	0.22	S	C	.	.	H	α-helix	trans	-59.8	-45.8	171	-74.5	166.4	179.6	157.3	0	111.6	D582 E583 L584 F588 N589 E590	D582-K586 WeakPolarHBondContact O-CG 3.38Å; D582-K586 PolarHBondContact O-N 3.5Å; D582-K586 VanDerWaalsContact OD2-CE 3.23Å; D582-K586 WeakPolarHBondContact OD2-CE 3.29Å; D582-K586 IonicContact OD2-NZ 2.85Å; D582-K586 PolarHBondContact OD2-NZ 3.48Å; E583-K586 PolarHBondContact O-N 3.48Å; E583-K586 IonicContact OE1-NZ 2.59Å; E583-K586 PolarHBondContact OE1-NZ 2.94Å; E583-K586 IonicContact OE2-NZ 3.99Å; L584-K586 VanDerWaalsContact C-N 3.32Å; L584-K586 PolarHBondContact O-N 2.95Å; K586-F588 VanDerWaalsContact C-N 3.35Å; K586-F588 PolarHBondContact O-N 2.94Å; K586-N589 PolarHBondContact O-N 2.99Å; K586-E590 PolarHBondContact O-N 3.03Å
587	A	91.8	Very high	89.8	Confident	6 Å²	6	55.6 Å²	55.6	5%	0.05	26%	0.26	C	S	.	.	H	α-helix	trans	-62.3	-40.9	177.4	0	0	0	0	0	112.1	V80 E583 L584 E590 Q591 I674 L676	V80-A587 HydrophobicContact CG2-CB 3.66Å; E583-A587 WeakPolarHBondContact O-CB 3.39Å; E583-A587 PolarHBondContact O-N 3.02Å; L584-A587 WeakPolarHBondContact O-CB 3.46Å; L584-A587 PolarHBondContact O-N 2.93Å; L584-A587 VanDerWaalsContact O-N 3.13Å; A587-E590 PolarHBondContact O-N 3Å; A587-Q591 PolarHBondContact O-N 2.91Å; A587-Q591 VanDerWaalsContact O-N 3.1Å; A587-I674 HydrophobicContact CB-CD1 4.47Å; A587-I674 HydrophobicContact CB-CG2 4.43Å; A587-L676 HydrophobicContact CB-CD1 4.37Å; A587-L676 HydrophobicContact CB-CD2 4.02Å
588	F	91.5	Very high	89.7	Confident	16 Å²	16	63 Å²	63	7%	0.07	30%	0.298	C	S	.	.	H	α-helix	trans	-61.6	-47.1	175.3	-60.6	-10.1	0	0	0	111.3	L584 V585 K586 E590 Q591 L592 L602 I650 Y659 L676 V679	L584-F588 HydrophobicContact CB-CE1 4.46Å; L584-F588 HydrophobicContact CB-CZ 4.21Å; L584-F588 HydrophobicContact CD2-CE1 4.28Å; L584-F588 HydrophobicContact CD2-CZ 4.36Å; L584-F588 WeakPolarHBondContact O-CD1 3.5Å; L584-F588 VanDerWaalsContact O-CG 3.23Å; L584-F588 WeakPolarHBondContact O-CG 3.49Å; L584-F588 PolarHBondContact O-N 2.98Å; V585-F588 PolarHBondContact O-N 3.43Å; K586-F588 VanDerWaalsContact C-N 3.35Å; K586-F588 PolarHBondContact O-N 2.94Å; F588-E590 PolarHBondContact O-N 3.45Å; F588-Q591 PolarHBondContact O-N 3.34Å; F588-L592 WeakPolarHBondContact O-CB 3.2Å; F588-L592 VanDerWaalsContact O-CG 3.28Å; F588-L592 WeakPolarHBondContact O-CG 3.28Å; F588-L592 PolarHBondContact O-N 3.23Å; F588-L602 HydrophobicContact CB-CD1 4.07Å; F588-L602 HydrophobicContact CD2-CD1 4.03Å; F588-I650 HydrophobicContact CE2-CD1 4.1Å; F588-Y659 HydrophobicContact CE2-CD1 4.06Å; F588-Y659 HydrophobicContact CE2-CD2 4.15Å; F588-Y659 AromaticContact CE2-CG 3.84Å; F588-Y659 HydrophobicContact CE2-CG 3.84Å; F588-Y659 HydrophobicContact CZ-CD1 4.47Å; F588-Y659 HydrophobicContact CZ-CG 4.41Å; F588-L676 HydrophobicContact CD1-CD2 3.69Å; F588-L676 HydrophobicContact CE1-CD2 3.68Å; F588-V679 HydrophobicContact CE1-CB 4.38Å; F588-V679 HydrophobicContact CE1-CG1 3.85Å; F588-V679 HydrophobicContact CE1-CG2 3.83Å; F588-V679 HydrophobicContact CZ-CG1 3.57Å; F588-V679 HydrophobicContact CZ-CG2 4.19Å
589	N	93	Very high	89.7	Confident	44 Å²	44	64.7 Å²	64.7	24%	0.235	31%	0.312	C	S	.	.	H	α-helix	trans	-64.9	-37	179.7	-75.6	-34.8	0	0	0	112.8	V585 K586 Q591 L592 K593 L602	V585-N589 WeakPolarHBondContact O-CB 3.4Å; V585-N589 PolarHBondContact O-N 2.96Å; V585-N589 PolarHBondContact O-ND2 3.1Å; K586-N589 PolarHBondContact O-N 2.99Å; N589-Q591 VanDerWaalsContact C-N 3.32Å; N589-L592 PolarHBondContact O-N 2.82Å; N589-K593 PolarHBondContact O-N 2.89Å; N589-K593 VanDerWaalsContact O-N 3.09Å; N589-L602 PolarHBondContact ND2-O 2.86Å; N589-L602 PolarHBondContact OD1-N 2.92Å
590	E	91.2	Very high	89.6	Confident	120 Å²	120	67.7 Å²	67.7	56%	0.561	34%	0.335	S	S	*	.	H	α-helix	trans	-67.1	-35.2	175.3	-167.8	61.8	-153.3	0	0	111.3	K586 A587 F588 K593	K586-E590 PolarHBondContact O-N 3.03Å; A587-E590 PolarHBondContact O-N 3Å; F588-E590 PolarHBondContact O-N 3.45Å; E590-K593 VanDerWaalsContact O-CB 3.29Å; E590-K593 WeakPolarHBondContact O-CB 3.43Å; E590-K593 WeakPolarHBondContact OE1-CD 3.42Å; E590-K593 IonicContact OE1-NZ 3.49Å; E590-K593 PolarHBondContact OE1-NZ 2.72Å; E590-K593 IonicContact OE2-NZ 2.8Å; E590-K593 PolarHBondContact OE2-NZ 2.81Å
591	Q	86.3	Confident	89.6	Confident	91 Å²	91	72 Å²	72	43%	0.425	36%	0.363	S	S	.	.	H	α-helix	trans	-67	-42.5	172.4	179	160.1	-32.3	0	0	112.3	A587 F588 N589 K593 L676	A587-Q591 PolarHBondContact O-N 2.91Å; A587-Q591 VanDerWaalsContact O-N 3.1Å; F588-Q591 PolarHBondContact O-N 3.34Å; N589-Q591 VanDerWaalsContact C-N 3.32Å; Q591-K593 PolarHBondContact O-N 3.29Å; Q591-L676 HydrophobicContact CB-CD1 4.37Å
592	L	88.2	Confident	89.7	Confident	51 Å²	51	73 Å²	73	27%	0.267	37%	0.368	S	S	.	.	H	α-helix	trans	-73.4	-7.1	-179.9	-69.3	171.2	0	0	0	114.3	F588 N589 K594 E595 Q596 C599 L602	F588-L592 WeakPolarHBondContact O-CB 3.2Å; F588-L592 VanDerWaalsContact O-CG 3.28Å; F588-L592 WeakPolarHBondContact O-CG 3.28Å; F588-L592 PolarHBondContact O-N 3.23Å; N589-L592 PolarHBondContact O-N 2.82Å; L592-K594 PolarHBondContact O-N 3.47Å; L592-K594 VanDerWaalsContact O-N 3.16Å; L592-E595 WeakPolarHBondContact CA-OE2 3Å; L592-E595 CarbonylContact O-C 3.32Å; L592-E595 VanDerWaalsContact O-C 3.32Å; L592-E595 WeakPolarHBondContact O-CA 3.48Å; L592-E595 PolarHBondContact O-N 3.19Å; L592-Q596 PolarHBondContact O-N 3Å; L592-Q596 VanDerWaalsContact O-N 3.16Å; L592-C599 HydrophobicContact CD2-CB 4.48Å; L592-L602 HydrophobicContact CD1-CD1 4.07Å; L592-L602 HydrophobicContact CD1-CG 4.2Å
593	K	87.8	Confident	89.7	Confident	111 Å²	111	80.7 Å²	80.7	48%	0.483	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-58.8	-28.5	-178.5	-168	173	-179	174.6	0	112.8	N589 E590 Q591 E595 Q596	N589-K593 PolarHBondContact O-N 2.89Å; N589-K593 VanDerWaalsContact O-N 3.09Å; E590-K593 VanDerWaalsContact O-CB 3.29Å; E590-K593 WeakPolarHBondContact O-CB 3.43Å; E590-K593 WeakPolarHBondContact OE1-CD 3.42Å; E590-K593 IonicContact OE1-NZ 3.49Å; E590-K593 PolarHBondContact OE1-NZ 2.72Å; E590-K593 IonicContact OE2-NZ 2.8Å; E590-K593 PolarHBondContact OE2-NZ 2.81Å; Q591-K593 PolarHBondContact O-N 3.29Å; K593-E595 VanDerWaalsContact C-N 3.26Å; K593-E595 PolarHBondContact O-N 3.41Å; K593-Q596 WeakPolarHBondContact O-CB 3.43Å; K593-Q596 WeakPolarHBondContact O-CG 3.19Å; K593-Q596 PolarHBondContact O-N 2.89Å
594	K	86	Confident	89.6	Confident	175 Å²	175	79.7 Å²	79.7	76%	0.761	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-66	-31.4	174.7	-65.9	-176.2	-179.6	-172.2	0	112	L592	L592-K594 PolarHBondContact O-N 3.47Å; L592-K594 VanDerWaalsContact O-N 3.16Å
595	E	88.1	Confident	89.5	Confident	80 Å²	80	82.2 Å²	82.2	37%	0.374	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-107.6	23.6	179.9	-52.4	79.7	-165	0	0	112.1	L592 K593 M597 L598 C599	L592-E595 WeakPolarHBondContact CA-OE2 3Å; L592-E595 CarbonylContact O-C 3.32Å; L592-E595 VanDerWaalsContact O-C 3.32Å; L592-E595 WeakPolarHBondContact O-CA 3.48Å; L592-E595 PolarHBondContact O-N 3.19Å; K593-E595 VanDerWaalsContact C-N 3.26Å; K593-E595 PolarHBondContact O-N 3.41Å; E595-M597 PolarHBondContact O-N 3.48Å; E595-L598 WeakPolarHBondContact O-CA 3.19Å; E595-L598 PolarHBondContact O-N 3.03Å; E595-C599 PolarHBondContact O-N 3.27Å
596	Q	82.9	Confident	89.4	Confident	133 Å²	133	83.1 Å²	83.1	62%	0.621	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-24.2	-174.4	68.2	176.6	2.5	0	0	114.4	L592 K593 L598	L592-Q596 PolarHBondContact O-N 3Å; L592-Q596 VanDerWaalsContact O-N 3.16Å; K593-Q596 WeakPolarHBondContact O-CB 3.43Å; K593-Q596 WeakPolarHBondContact O-CG 3.19Å; K593-Q596 PolarHBondContact O-N 2.89Å; Q596-L598 VanDerWaalsContact C-N 3.32Å
597	M	87.3	Confident	89.3	Confident	170 Å²	170	79.6 Å²	79.6	84%	0.837	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-17.9	177.1	-62.6	-61.3	-68.5	0	0	112.8	E595	E595-M597 PolarHBondContact O-N 3.48Å
598	L	88.2	Confident	89.4	Confident	155 Å²	155	81.9 Å²	81.9	81%	0.812	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.2	-30.1	-178.2	-57.9	177	0	0	0	111.9	E595 Q596	E595-L598 WeakPolarHBondContact O-CA 3.19Å; E595-L598 PolarHBondContact O-N 3.03Å; Q596-L598 VanDerWaalsContact C-N 3.32Å
599	C	86	Confident	89.4	Confident	49 Å²	49	84.6 Å²	84.6	33%	0.331	42%	0.421	S	S	.	.	S	Bend	trans	-112.6	130.4	-174.2	-61.8	0	0	0	0	111.5	L592 E595	L592-C599 HydrophobicContact CD2-CB 4.48Å; E595-C599 PolarHBondContact O-N 3.27Å
600	S	88.4	Confident	89.3	Confident	81 Å²	81	82.5 Å²	82.5	57%	0.566	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-71.9	144.2	168.5	-60.1	0	0	0	0	110.9	L602	S600-L602 PolarHBondContact O-N 3.11Å
601	P	90.5	Very high	89.2	Confident	90 Å²	90	78.5 Å²	78.5	58%	0.584	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-63.2	134.7	176	26.2	-33.9	0	0	0	110.8
602	L	92.8	Very high	89.2	Confident	21 Å²	21	74.4 Å²	74.4	11%	0.11	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-76.2	145.4	177.5	-60.1	-179.5	0	0	0	110.7	V585 F588 N589 L592 S600 N653	V585-L602 HydrophobicContact CG1-CB 4.06Å; V585-L602 VanDerWaalsContact CG1-O 3.24Å; V585-L602 WeakPolarHBondContact CG1-O 2.84Å; F588-L602 HydrophobicContact CB-CD1 4.07Å; F588-L602 HydrophobicContact CD2-CD1 4.03Å; N589-L602 PolarHBondContact ND2-O 2.86Å; N589-L602 PolarHBondContact OD1-N 2.92Å; L592-L602 HydrophobicContact CD1-CD1 4.07Å; L592-L602 HydrophobicContact CD1-CG 4.2Å; S600-L602 PolarHBondContact O-N 3.11Å; L602-N653 WeakPolarHBondContact CA-O 3.3Å
603	R	92.2	Very high	88.9	Confident	182 Å²	182	72 Å²	72	69%	0.687	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.9	139.7	169.6	-63.8	-178.1	-176.3	171.8	1.7	109.4	D605 T652 N653	R603-D605 PolarHBondContact O-N 2.92Å; R603-T652 CarbonylContact O-C 3.49Å; R603-T652 WeakPolarHBondContact O-CA 3.35Å; R603-T652 WeakPolarHBondContact O-CB 3.39Å; R603-N653 PolarHBondContact N-O 3.2Å; R603-N653 PolarHBondContact O-N 2.94Å
604	L	91.2	Very high	88.4	Confident	7 Å²	7	70.2 Å²	70.2	4%	0.037	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	124.5	172.7	-173.7	66.8	0	0	0	109.1	Y61 W578 V585 I650	Y61-L604 HydrophobicContact CD2-CB 4.43Å; Y61-L604 HydrophobicContact CD2-CD2 4.01Å; Y61-L604 HydrophobicContact CD2-CG 4.47Å; Y61-L604 HydrophobicContact CE2-CB 3.94Å; Y61-L604 HydrophobicContact CE2-CD2 3.79Å; Y61-L604 HydrophobicContact CE2-CG 4.32Å; W578-L604 HydrophobicContact CE3-CD2 3.63Å; W578-L604 HydrophobicContact CE3-CG 4.48Å; W578-L604 HydrophobicContact CZ3-CD2 3.91Å; W578-L604 HydrophobicContact CZ3-CG 4.28Å; V585-L604 HydrophobicContact CG2-CB 3.98Å; V585-L604 HydrophobicContact CG2-CD1 4.18Å; L604-I650 HydrophobicContact CD1-CB 3.78Å; L604-I650 HydrophobicContact CD1-CD1 4.05Å; L604-I650 HydrophobicContact CD1-CG1 4.45Å; L604-I650 HydrophobicContact CD1-CG2 4.01Å
605	D	90.5	Very high	88.3	Confident	54 Å²	54	62.6 Å²	62.6	29%	0.289	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	-54.8	175.7	179	68.1	0	0	0	109.9	R603 R651 N653	R603-D605 PolarHBondContact O-N 2.92Å; D605-R651 HydrophobicContact CB-CB 4.37Å; D605-R651 HydrophobicContact CB-CG 4.39Å; D605-R651 WeakPolarHBondContact CB-O 3.5Å; D605-R651 PolarHBondContact N-O 3.31Å; D605-R651 WeakPolarHBondContact OD2-CD 3.42Å; D605-N653 PolarHBondContact OD1-ND2 2.96Å
606	S	90.8	Very high	88	Confident	25 Å²	25	61.5 Å²	61.5	18%	0.175	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	155.9	-176.5	45.5	0	0	0	0	112	I650 R651	S606-I650 WeakPolarHBondContact O-CA 3.34Å; S606-R651 PolarHBondContact N-O 2.77Å; S606-R651 PolarHBondContact O-N 3.13Å
607	V	91.4	Very high	87.8	Confident	11 Å²	11	58.9 Å²	58.9	7%	0.067	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	117.1	165.3	-173.8	0	0	0	0	107.7	T572 W578 A610 L648 I650	T572-V607 WeakPolarHBondContact CB-O 3.38Å; T572-V607 HydrophobicContact CG2-CG1 4.24Å; W578-V607 HydrophobicContact CD2-CG2 4.47Å; W578-V607 HydrophobicContact CE3-CG2 4.29Å; V607-A610 HydrophobicContact CG1-CB 4.36Å; V607-L648 HydrophobicContact CG1-CD2 4.12Å; V607-L648 HydrophobicContact CG1-CG 4.28Å; V607-I650 HydrophobicContact CG1-CG2 4.47Å; V607-I650 HydrophobicContact CG2-CG2 4.27Å
608	L	92.4	Very high	87.4	Confident	54 Å²	54	53.8 Å²	53.8	28%	0.283	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	-43.1	-175.7	-55.4	-177.5	0	0	0	111.7	T572 T649 R651 I658	T572-L608 WeakPolarHBondContact CG2-O 3.31Å; L608-T649 HydrophobicContact CB-CG2 4.3Å; L608-T649 WeakPolarHBondContact CB-O 3.47Å; L608-T649 HydrophobicContact CD1-CG2 4.32Å; L608-T649 PolarHBondContact N-O 2.85Å; L608-R651 HydrophobicContact CD1-CB 4.28Å; L608-R651 HydrophobicContact CD2-CB 4.39Å; L608-R651 HydrophobicContact CG-CB 4.33Å; L608-I658 HydrophobicContact CD1-CD1 4Å; L608-I658 HydrophobicContact CD1-CG1 4.11Å; L608-I658 HydrophobicContact CD1-CG2 4.21Å
609	E	92.5	Very high	87	Confident	72 Å²	72	46.5 Å²	46.5	34%	0.336	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	148.8	176.7	-54.8	-164	171.8	0	0	110.7	Y611 L648 T649	E609-Y611 HydrophobicContact CB-CE2 3.75Å; E609-Y611 WeakPolarHBondContact OE2-CE2 3.4Å; E609-Y611 PolarHBondContact OE2-OH 3.42Å; E609-L648 WeakPolarHBondContact O-CA 3.23Å; E609-T649 PolarHBondContact N-O 2.95Å; E609-T649 PolarHBondContact O-N 3.4Å
610	A	90.1	Very high	86.7	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	125.7	179.7	0	0	0	0	0	110.2	K569 F570 T572 V607 R647 L648	K569-A610 WeakPolarHBondContact CA-O 3.39Å; F570-A610 HydrophobicContact CD1-CB 4.06Å; F570-A610 WeakPolarHBondContact CD1-O 3.45Å; F570-A610 HydrophobicContact CD2-CB 4.37Å; F570-A610 HydrophobicContact CE1-CB 3.65Å; F570-A610 HydrophobicContact CE2-CB 4.02Å; F570-A610 HydrophobicContact CG-CB 4.4Å; F570-A610 HydrophobicContact CZ-CB 3.64Å; F570-A610 PolarHBondContact N-O 3.27Å; T572-A610 HydrophobicContact CG2-CB 4.31Å; V607-A610 HydrophobicContact CG1-CB 4.36Å; A610-R647 WeakPolarHBondContact CA-O 3.32Å; A610-L648 HydrophobicContact CB-CG 4.47Å
611	Y	89.9	Confident	86.2	Confident	37 Å²	37	41.3 Å²	41.3	15%	0.145	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	145.6	178.1	-55.5	-96.5	0	0	0	110.5	W567 K568 K569 F570 E609 Y646 R647	W567-Y611 HydrophobicContact CB-CD1 4.49Å; K568-Y611 WeakPolarHBondContact O-CA 3.22Å; K569-Y611 HydrophobicContact CB-CD1 3.82Å; K569-Y611 HydrophobicContact CB-CE1 3.71Å; K569-Y611 HydrophobicContact CD-CE1 4.1Å; K569-Y611 HydrophobicContact CG-CD1 4.24Å; K569-Y611 HydrophobicContact CG-CE1 3.89Å; F570-Y611 WeakPolarHBondContact CE1-O 3.36Å; E609-Y611 HydrophobicContact CB-CE2 3.75Å; E609-Y611 WeakPolarHBondContact OE2-CE2 3.4Å; E609-Y611 PolarHBondContact OE2-OH 3.42Å; Y611-Y646 CarbonylContact O-C 3.51Å; Y611-Y646 WeakPolarHBondContact O-CA 3.38Å; Y611-R647 VanDerWaalsContact CE2-NH2 3.33Å; Y611-R647 PolarHBondContact N-O 3.29Å; Y611-R647 PolarHBondContact O-N 3.34Å
612	V	87	Confident	85.4	Confident	5 Å²	5	37.1 Å²	37.1	3%	0.03	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	135.8	173.1	58.1	0	0	0	0	108.7	K568 F570 Q614 D644 S645 Y646	K568-V612 PolarHBondContact N-O 3.1Å; K568-V612 PolarHBondContact O-N 2.79Å; F570-V612 HydrophobicContact CD1-CB 4.01Å; F570-V612 HydrophobicContact CD1-CG1 3.91Å; F570-V612 HydrophobicContact CE1-CB 4.09Å; F570-V612 HydrophobicContact CE1-CG1 4.48Å; V612-Q614 HydrophobicContact CG1-CG 4.01Å; V612-Q614 HydrophobicContact CG2-CG 4.29Å; V612-Q614 PolarHBondContact O-N 2.99Å; V612-D644 HydrophobicContact CG2-CB 4.49Å; V612-S645 CarbonylContact C-O 3.59Å; V612-S645 WeakPolarHBondContact CA-O 3.35Å; V612-Y646 HydrophobicContact CB-CD1 3.97Å; V612-Y646 HydrophobicContact CB-CE1 3.81Å; V612-Y646 HydrophobicContact CG2-CD1 4.06Å; V612-Y646 HydrophobicContact CG2-CE1 3.65Å
613	S	81.8	Confident	84.4	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	120.4	171.9	67.1	0	0	0	0	108.3	S566 S645	S566-S613 WeakPolarHBondContact O-CA 3.27Å; S613-S645 PolarHBondContact N-O 3.38Å; S613-S645 WeakPolarHBondContact OG-CA 3.35Å; S613-S645 WeakPolarHBondContact OG-CB 3.16Å; S613-S645 PolarHBondContact OG-N 3.44Å; S613-S645 PolarHBondContact OG-O 3.16Å
614	Q	76.7	Confident	83.3	Confident	74 Å²	74	32 Å²	32	35%	0.346	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	144.3	176.5	-68.8	-171.1	-19.5	0	0	110.7	L565 S566 K568 V612	L565-Q614 WeakPolarHBondContact CA-O 3.45Å; S566-Q614 PolarHBondContact N-O 2.85Å; S566-Q614 PolarHBondContact O-N 3.32Å; S566-Q614 PolarHBondContact OG-O 2.78Å; K568-Q614 HydrophobicContact CD-CB 3.96Å; K568-Q614 HydrophobicContact CD-CG 4.32Å; V612-Q614 HydrophobicContact CG1-CG 4.01Å; V612-Q614 HydrophobicContact CG2-CG 4.29Å; V612-Q614 PolarHBondContact O-N 2.99Å
615	P	83.2	Confident	82.2	Confident	15 Å²	15	32.2 Å²	32.2	10%	0.097	17%	0.169	C	C	.	.			trans	-69.8	167	168.3	32.3	-36.6	0	0	0	110.6	L565 F619 V620 V641	L565-P615 HydrophobicContact CD2-CB 3.87Å; P615-F619 HydrophobicContact CB-CD1 3.89Å; P615-F619 HydrophobicContact CB-CG 4.44Å; P615-V620 HydrophobicContact CB-CG1 3.94Å; P615-V620 HydrophobicContact CG-CG1 3.3Å; P615-V641 HydrophobicContact CB-CG1 4.18Å; P615-V641 HydrophobicContact CG-CG1 4.06Å; P615-V641 HydrophobicContact CG-CG2 4.4Å
616	E	81.7	Confident	80.9	Confident	56 Å²	56	34.1 Å²	34.1	26%	0.262	18%	0.175	S	C	.	.			trans	-64.2	147.3	167.7	-67.4	-55.6	147.9	0	0	111.4	L559 D618 F619 V620	L559-E616 HydrophobicContact CD2-CG 4.36Å; E616-D618 VanDerWaalsContact C-N 3.3Å; E616-D618 PolarHBondContact O-N 3.01Å; E616-F619 HydrophobicContact CB-CB 4.23Å; E616-F619 WeakPolarHBondContact O-CB 3.4Å; E616-F619 PolarHBondContact O-N 2.96Å; E616-V620 PolarHBondContact O-N 3.26Å
617	D	79.4	Confident	79.4	Confident	78 Å²	78	34.5 Å²	34.5	42%	0.417	18%	0.183	S	C	.	.	H	α-helix	trans	-63.9	-39.4	-177.7	-76.4	-19.9	0	0	0	111.4	F619 V620 A621 R638	D617-F619 VanDerWaalsContact C-N 3.31Å; D617-F619 PolarHBondContact O-N 3.37Å; D617-V620 WeakPolarHBondContact O-CG2 3.23Å; D617-V620 PolarHBondContact O-N 2.95Å; D617-A621 VanDerWaalsContact O-CB 3.31Å; D617-A621 WeakPolarHBondContact O-CB 3.45Å; D617-A621 PolarHBondContact O-N 3.19Å; D617-A621 VanDerWaalsContact O-N 3.09Å; D617-R638 IonicContact OD1-CZ 2.66Å; D617-R638 IonicContact OD1-NH2 2.91Å; D617-R638 PolarHBondContact OD1-NH2 3.46Å
618	D	79.4	Confident	77.9	Confident	63 Å²	63	39.4 Å²	39.4	34%	0.337	20%	0.201	S	C	.	.	H	α-helix	trans	-63.4	-36.7	176.2	-73.9	9.7	0	0	0	112	L559 H560 E616 A621 F622 F635	L559-D618 HydrophobicContact CB-CB 3.98Å; H560-D618 HydrophobicContact CB-CB 4.12Å; E616-D618 VanDerWaalsContact C-N 3.3Å; E616-D618 PolarHBondContact O-N 3.01Å; D618-A621 PolarHBondContact O-N 2.88Å; D618-F622 WeakPolarHBondContact O-CB 3.5Å; D618-F622 PolarHBondContact O-N 3.45Å; D618-F635 HydrophobicContact CB-CE1 4.08Å; D618-F635 HydrophobicContact CB-CZ 4.46Å
619	F	79.7	Confident	76.4	Confident	3 Å²	3	39.1 Å²	39.1	1%	0.013	20%	0.2	C	C	.	.	H	α-helix	trans	-60.7	-50.7	177.6	173.2	-81.5	0	0	0	111	L478 C562 P615 E616 D617 A621 F622 V641	L478-F619 HydrophobicContact CD2-CE1 4.14Å; L478-F619 HydrophobicContact CD2-CE2 4.19Å; L478-F619 HydrophobicContact CD2-CZ 3.46Å; L478-F619 VanDerWaalsContact CD2-CZ 3.46Å; L478-F619 HydrophobicContact CG-CZ 4.1Å; C562-F619 WeakPolarHBondContact O-CD2 3.39Å; P615-F619 HydrophobicContact CB-CD1 3.89Å; P615-F619 HydrophobicContact CB-CG 4.44Å; E616-F619 HydrophobicContact CB-CB 4.23Å; E616-F619 WeakPolarHBondContact O-CB 3.4Å; E616-F619 PolarHBondContact O-N 2.96Å; D617-F619 VanDerWaalsContact C-N 3.31Å; D617-F619 PolarHBondContact O-N 3.37Å; F619-A621 VanDerWaalsContact C-N 3.28Å; F619-A621 PolarHBondContact O-N 2.83Å; F619-F622 PolarHBondContact O-N 3.45Å; F619-V641 HydrophobicContact CE1-CG1 4.16Å
620	V	79.5	Confident	75	Confident	6 Å²	6	36.4 Å²	36.4	4%	0.036	19%	0.19	C	C	.	.	H	α-helix	trans	-72	-26.1	-177.7	-64.6	0	0	0	0	112.3	P615 E616 D617 R638 I639	P615-V620 HydrophobicContact CB-CG1 3.94Å; P615-V620 HydrophobicContact CG-CG1 3.3Å; E616-V620 PolarHBondContact O-N 3.26Å; D617-V620 WeakPolarHBondContact O-CG2 3.23Å; D617-V620 PolarHBondContact O-N 2.95Å; V620-R638 HydrophobicContact CG2-CB 4.17Å; V620-R638 HydrophobicContact CG2-CG 4.22Å; V620-R638 CarbonylContact O-C 3.57Å; V620-R638 VanDerWaalsContact O-CA 3.31Å; V620-R638 WeakPolarHBondContact O-CA 3.46Å; V620-I639 VanDerWaalsContact CB-O 3.24Å; V620-I639 WeakPolarHBondContact CB-O 3.46Å; V620-I639 VanDerWaalsContact CG1-O 3.31Å; V620-I639 WeakPolarHBondContact CG1-O 3.46Å; V620-I639 PolarHBondContact O-N 3.11Å
621	A	77.3	Confident	74	Confident	15 Å²	15	39.8 Å²	39.8	12%	0.124	20%	0.203	C	C	.	.	H	α-helix	trans	-83.2	-21.3	178.7	0	0	0	0	0	113.5	D617 D618 F619 V623 F635 G636 R638	D617-A621 VanDerWaalsContact O-CB 3.31Å; D617-A621 WeakPolarHBondContact O-CB 3.45Å; D617-A621 PolarHBondContact O-N 3.19Å; D617-A621 VanDerWaalsContact O-N 3.09Å; D618-A621 PolarHBondContact O-N 2.88Å; F619-A621 VanDerWaalsContact C-N 3.28Å; F619-A621 PolarHBondContact O-N 2.83Å; A621-V623 PolarHBondContact O-N 2.82Å; A621-F635 HydrophobicContact CB-CB 4.32Å; A621-F635 HydrophobicContact CB-CD1 3.92Å; A621-F635 CarbonylContact O-C 3.58Å; A621-F635 VanDerWaalsContact O-CA 3.32Å; A621-F635 WeakPolarHBondContact O-CA 3.36Å; A621-G636 PolarHBondContact O-N 3.16Å; A621-R638 HydrophobicContact CB-CG 4.32Å
622	F	74.2	Confident	73.2	Confident	2 Å²	2	43.8 Å²	43.8	1%	0.009	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	133.2	-178.1	-178.2	-95.6	0	0	0	111.9	K477 H560 W561 D618 F619 E624 P633 F635	K477-F622 PolarHBondContact NZ-O 2.65Å; H560-F622 HydrophobicContact CB-CB 4.04Å; H560-F622 HydrophobicContact CB-CD2 3.91Å; H560-F622 HydrophobicContact CB-CG 4.2Å; H560-F622 AromaticContact CD2-CD2 3.68Å; H560-F622 AromaticContact CD2-CE2 3.66Å; W561-F622 AromaticContact CH2-CE1 3.82Å; W561-F622 HydrophobicContact CH2-CE1 3.82Å; W561-F622 AromaticContact CH2-CZ 3.77Å; W561-F622 HydrophobicContact CH2-CZ 3.77Å; W561-F622 HydrophobicContact CZ2-CE1 4.1Å; W561-F622 HydrophobicContact CZ2-CE2 4.27Å; W561-F622 AromaticContact CZ2-CZ 3.59Å; W561-F622 HydrophobicContact CZ2-CZ 3.59Å; W561-F622 HydrophobicContact CZ3-CE1 4.42Å; D618-F622 WeakPolarHBondContact O-CB 3.5Å; D618-F622 PolarHBondContact O-N 3.45Å; F619-F622 PolarHBondContact O-N 3.45Å; F622-E624 WeakPolarHBondContact CE2-O 3.44Å; F622-P633 HydrophobicContact CD2-CB 3.8Å; F622-P633 HydrophobicContact CE2-CB 3.76Å; F622-F635 HydrophobicContact CB-CD1 4.41Å; F622-F635 HydrophobicContact CB-CE1 4.34Å; F622-F635 HydrophobicContact CD2-CE1 4.47Å
623	V	70.6	Confident	72.7	Confident	49 Å²	49	45.2 Å²	45.2	30%	0.297	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	-56.8	178.3	179.3	0	0	0	0	110.4	A621 R634	A621-V623 PolarHBondContact O-N 2.82Å; V623-R634 WeakPolarHBondContact CB-O 3.28Å; V623-R634 PolarHBondContact N-O 2.89Å
624	E	69.1	Low	72.3	Confident	46 Å²	46	48.9 Å²	48.9	22%	0.215	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	166.6	-175.4	64.5	-170.4	179.6	0	0	108.9	F622 R634	F622-E624 WeakPolarHBondContact CE2-O 3.44Å; E624-R634 HydrophobicContact CG-CB 4.08Å; E624-R634 WeakPolarHBondContact O-CA 3.46Å; E624-R634 VanDerWaalsContact O-CB 3.3Å; E624-R634 WeakPolarHBondContact O-CB 3.39Å; E624-R634 PolarHBondContact O-N 2.85Å; E624-R634 WeakPolarHBondContact OE1-CD 3.38Å; E624-R634 IonicContact OE1-CZ 3.91Å; E624-R634 IonicContact OE1-NE 3.26Å; E624-R634 IonicContact OE1-NH1 2.75Å; E624-R634 PolarHBondContact OE1-NH1 3.35Å
625	S	68.4	Low	72.4	Confident	11 Å²	11	49.6 Å²	49.6	8%	0.077	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	139.6	166.1	-46.9	0	0	0	0	110.4	D267 G630 E632	D267-S625 VanDerWaalsContact CB-OG 3.3Å; D267-S625 WeakPolarHBondContact CB-OG 3.41Å; D267-S625 VanDerWaalsContact CG-OG 3.28Å; D267-S625 WeakPolarHBondContact OD2-CB 3.31Å; D267-S625 PolarHBondContact OD2-OG 2.7Å; S625-G630 VanDerWaalsContact CB-O 3.28Å; S625-G630 WeakPolarHBondContact CB-O 3.47Å; S625-G630 PolarHBondContact OG-O 3.34Å; S625-E632 CarbonylContact C-O 3.58Å
626	K	64.1	Low	72	Confident	95 Å²	95	50.8 Å²	50.8	41%	0.413	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	151.8	177.9	-61.4	179.2	-175.2	169.6	0	111	G630 E632 R634	K626-G630 WeakPolarHBondContact O-CA 3.36Å; K626-G630 PolarHBondContact O-N 3.47Å; K626-E632 HydrophobicContact CB-CB 4.13Å; K626-E632 WeakPolarHBondContact CB-O 3.45Å; K626-E632 HydrophobicContact CD-CB 4.2Å; K626-E632 HydrophobicContact CG-CB 4.5Å; K626-E632 WeakPolarHBondContact CG-O 3.07Å; K626-E632 PolarHBondContact N-O 3.32Å; K626-R634 HydrophobicContact CD-CB 4.49Å; K626-R634 HydrophobicContact CG-CB 3.76Å
627	G	58.9	Low	71.6	Confident	32 Å²	32	56.9 Å²	56.9	33%	0.33	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.7	173	166.9	0	0	0	0	0	113.6	D629	G627-D629 PolarHBondContact O-N 3.29Å
628	Y	59.1	Low	71.2	Confident	115 Å²	115	60.1 Å²	60.1	45%	0.451	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-21	176.9	-178.6	-100.9	0	0	0	112.6	Y329 R330	Y329-Y628 HydrophobicContact CE1-CE2 4.15Å; Y329-Y628 PolarHBondContact O-OH 3.02Å; R330-Y628 HydrophobicContact CB-CE1 3.75Å
629	D	61.3	Low	70.7	Confident	48 Å²	48	59.7 Å²	59.7	26%	0.257	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-15.8	179.8	61.4	-12.8	0	0	0	114	R289 G627 R631	R289-D629 IonicContact NH1-OD2 3.57Å; R289-D629 PolarHBondContact NH1-OD2 3.44Å; G627-D629 PolarHBondContact O-N 3.29Å; D629-R631 HydrophobicContact CB-CG 4.37Å; D629-R631 PolarHBondContact O-N 2.85Å
630	G	63.5	Low	70.3	Confident	14 Å²	14	61.2 Å²	61.2	14%	0.144	30%	0.304	C	S	.	.			trans	65.2	22.2	173.1	0	0	0	0	0	114.6	S625 K626	S625-G630 VanDerWaalsContact CB-O 3.28Å; S625-G630 WeakPolarHBondContact CB-O 3.47Å; S625-G630 PolarHBondContact OG-O 3.34Å; K626-G630 WeakPolarHBondContact O-CA 3.36Å; K626-G630 PolarHBondContact O-N 3.47Å
631	R	68.1	Low	70.2	Confident	71 Å²	71	61.2 Å²	61.2	27%	0.268	30%	0.304	S	S	.	.			trans	-91	-28.9	-174.9	-66	-172.1	-177.7	179.2	0.8	114.1	E282 E283 D629	E282-R631 IonicContact OE1-CZ 3.72Å; E282-R631 IonicContact OE1-NE 3.73Å; E282-R631 IonicContact OE1-NH2 2.74Å; E282-R631 PolarHBondContact OE1-NH2 2.88Å; E283-R631 IonicContact OE1-NE 3.67Å; D629-R631 HydrophobicContact CB-CG 4.37Å; D629-R631 PolarHBondContact O-N 2.85Å
632	E	73.1	Confident	70.1	Confident	122 Å²	122	60.5 Å²	60.5	57%	0.57	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.7	123.7	-176.1	-71.6	-174.7	-172	0	0	111.3	S625 K626	S625-E632 CarbonylContact C-O 3.58Å; K626-E632 HydrophobicContact CB-CB 4.13Å; K626-E632 WeakPolarHBondContact CB-O 3.45Å; K626-E632 HydrophobicContact CD-CB 4.2Å; K626-E632 HydrophobicContact CG-CB 4.5Å; K626-E632 WeakPolarHBondContact CG-O 3.07Å; K626-E632 PolarHBondContact N-O 3.32Å
633	P	77.7	Confident	70.4	Confident	35 Å²	35	60.7 Å²	60.7	23%	0.227	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	141.4	177.1	28.3	-34.2	0	0	0	111.7	F622 F635	F622-P633 HydrophobicContact CD2-CB 3.8Å; F622-P633 HydrophobicContact CE2-CB 3.76Å; P633-F635 HydrophobicContact CB-CE1 4.23Å; P633-F635 HydrophobicContact CB-CE2 3.94Å; P633-F635 HydrophobicContact CB-CZ 3.7Å; P633-F635 HydrophobicContact CG-CE2 3.7Å; P633-F635 HydrophobicContact CG-CZ 3.69Å
634	R	73.1	Confident	71	Confident	76 Å²	76	59.5 Å²	59.5	29%	0.287	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	120.4	165	-174.4	-179.3	159.3	-155.2	-8.4	109.4	V623 E624 K626	V623-R634 WeakPolarHBondContact CB-O 3.28Å; V623-R634 PolarHBondContact N-O 2.89Å; E624-R634 HydrophobicContact CG-CB 4.08Å; E624-R634 WeakPolarHBondContact O-CA 3.46Å; E624-R634 VanDerWaalsContact O-CB 3.3Å; E624-R634 WeakPolarHBondContact O-CB 3.39Å; E624-R634 PolarHBondContact O-N 2.85Å; E624-R634 WeakPolarHBondContact OE1-CD 3.38Å; E624-R634 IonicContact OE1-CZ 3.91Å; E624-R634 IonicContact OE1-NE 3.26Å; E624-R634 IonicContact OE1-NH1 2.75Å; E624-R634 PolarHBondContact OE1-NH1 3.35Å; K626-R634 HydrophobicContact CD-CB 4.49Å; K626-R634 HydrophobicContact CG-CB 3.76Å
635	F	79.1	Confident	71.7	Confident	90 Å²	90	57.9 Å²	57.9	40%	0.395	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	149.1	173.4	-57.8	-70.1	0	0	0	111.3	H560 D618 A621 F622 P633	H560-F635 HydrophobicContact CB-CE1 3.99Å; H560-F635 HydrophobicContact CB-CZ 4.36Å; D618-F635 HydrophobicContact CB-CE1 4.08Å; D618-F635 HydrophobicContact CB-CZ 4.46Å; A621-F635 HydrophobicContact CB-CB 4.32Å; A621-F635 HydrophobicContact CB-CD1 3.92Å; A621-F635 CarbonylContact O-C 3.58Å; A621-F635 VanDerWaalsContact O-CA 3.32Å; A621-F635 WeakPolarHBondContact O-CA 3.36Å; F622-F635 HydrophobicContact CB-CD1 4.41Å; F622-F635 HydrophobicContact CB-CE1 4.34Å; F622-F635 HydrophobicContact CD2-CE1 4.47Å; P633-F635 HydrophobicContact CB-CE1 4.23Å; P633-F635 HydrophobicContact CB-CE2 3.94Å; P633-F635 HydrophobicContact CB-CZ 3.7Å; P633-F635 HydrophobicContact CG-CE2 3.7Å; P633-F635 HydrophobicContact CG-CZ 3.69Å
636	G	75.2	Confident	72.6	Confident	39 Å²	39	57.4 Å²	57.4	40%	0.402	28%	0.281	S	S	.	.			trans	-153.1	-145.4	-179	0	0	0	0	0	111.8	A621 R638	A621-G636 PolarHBondContact O-N 3.16Å; G636-R638 PolarHBondContact O-N 3.3Å
637	R	72.1	Confident	73.8	Confident	184 Å²	184	53.9 Å²	53.9	69%	0.694	27%	0.265	S	S	*	.	S	Bend	trans	-63.8	132.2	-179.8	-175.8	178.7	178.3	-166.3	-2.9	110.2	I639	R637-I639 PolarHBondContact O-N 2.88Å
638	R	71	Confident	75.4	Confident	147 Å²	147	52.4 Å²	52.4	56%	0.555	25%	0.25	S	C	*	.			trans	-65.1	124	177.2	-60.7	178.7	69.2	176.4	4.6	110.7	D617 V620 A621 G636	D617-R638 IonicContact OD1-CZ 2.66Å; D617-R638 IonicContact OD1-NH2 2.91Å; D617-R638 PolarHBondContact OD1-NH2 3.46Å; V620-R638 HydrophobicContact CG2-CB 4.17Å; V620-R638 HydrophobicContact CG2-CG 4.22Å; V620-R638 CarbonylContact O-C 3.57Å; V620-R638 VanDerWaalsContact O-CA 3.31Å; V620-R638 WeakPolarHBondContact O-CA 3.46Å; A621-R638 HydrophobicContact CB-CG 4.32Å; G636-R638 PolarHBondContact O-N 3.3Å
639	I	69.1	Low	77.1	Confident	53 Å²	53	47.8 Å²	47.8	27%	0.272	23%	0.234	S	C	.	.			trans	-115.2	110	171.9	-63.8	171.4	0	0	0	106.5	K474 K477 V620 R637	K474-I639 HydrophobicContact CG-CG2 3.89Å; K477-I639 HydrophobicContact CD-CB 4.31Å; K477-I639 HydrophobicContact CD-CG2 4.27Å; V620-I639 VanDerWaalsContact CB-O 3.24Å; V620-I639 WeakPolarHBondContact CB-O 3.46Å; V620-I639 VanDerWaalsContact CG1-O 3.31Å; V620-I639 WeakPolarHBondContact CG1-O 3.46Å; V620-I639 PolarHBondContact O-N 3.11Å; R637-I639 PolarHBondContact O-N 2.88Å
640	G	71.8	Confident	78.6	Confident	35 Å²	35	45.5 Å²	45.5	36%	0.361	22%	0.221	S	C	.	.			trans	-66.9	179	178.6	0	0	0	0	0	113.2	K474	K474-G640 WeakPolarHBondContact CB-O 3.33Å; K474-G640 VanDerWaalsContact CG-O 3.3Å; K474-G640 WeakPolarHBondContact CG-O 3.49Å
641	V	76.7	Confident	80.1	Confident	6 Å²	6	48.6 Å²	48.6	4%	0.036	23%	0.229	C	C	.	.			trans	-82.4	156.4	176.1	-71.5	0	0	0	0	111.4	L478 L565 P615 F619 Y643	L478-V641 HydrophobicContact CD1-CB 4.38Å; L478-V641 HydrophobicContact CD1-CG1 4.13Å; L478-V641 HydrophobicContact CD2-CG1 4.18Å; L478-V641 HydrophobicContact CG-CG1 4.39Å; L565-V641 HydrophobicContact CD2-CG1 4.35Å; P615-V641 HydrophobicContact CB-CG1 4.18Å; P615-V641 HydrophobicContact CG-CG1 4.06Å; P615-V641 HydrophobicContact CG-CG2 4.4Å; F619-V641 HydrophobicContact CE1-CG1 4.16Å; V641-Y643 VanDerWaalsContact CG2-O 3.24Å; V641-Y643 WeakPolarHBondContact CG2-O 3.29Å; V641-Y643 PolarHBondContact O-N 3.42Å
642	P	75.6	Confident	81.4	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.006	22%	0.216	C	C	.	.	S	Bend	trans	-69.7	-23.1	-179.4	24.3	-27.2	0	0	0	112.3	K474 Q475 L478 V667 T668	K474-P642 HydrophobicContact CB-CB 3.99Å; K474-P642 HydrophobicContact CB-CG 4.19Å; Q475-P642 HydrophobicContact CB-CG 4.3Å; L478-P642 VanDerWaalsContact CD1-CD 3.5Å; L478-P642 HydrophobicContact CD1-CG 4Å; P642-V667 WeakPolarHBondContact O-CB 3.42Å; P642-V667 WeakPolarHBondContact O-CG2 3.41Å; P642-V667 PolarHBondContact O-N 3.3Å; P642-T668 HydrophobicContact CB-CG2 3.98Å
643	Y	80.9	Confident	82.2	Confident	6 Å²	6	41.9 Å²	41.9	2%	0.024	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	133.2	-177.8	-57.1	-79.5	0	0	0	112.1	V104 N106 D109 V641 L664 Y665 D666	V104-Y643 HydrophobicContact CB-CD2 4.13Å; V104-Y643 HydrophobicContact CB-CG 4.18Å; V104-Y643 HydrophobicContact CG1-CD2 4.23Å; V104-Y643 HydrophobicContact CG1-CG 4.36Å; V104-Y643 VanDerWaalsContact O-CD2 3.3Å; V104-Y643 WeakPolarHBondContact O-CD2 3.18Å; N106-Y643 HydrophobicContact CB-CE2 4.27Å; N106-Y643 WeakPolarHBondContact CB-OH 3Å; D109-Y643 PolarHBondContact OD2-OH 3.04Å; V641-Y643 VanDerWaalsContact CG2-O 3.24Å; V641-Y643 WeakPolarHBondContact CG2-O 3.29Å; V641-Y643 PolarHBondContact O-N 3.42Å; Y643-L664 HydrophobicContact CD1-CD2 3.96Å; Y643-L664 HydrophobicContact CD1-CG 4.2Å; Y643-L664 HydrophobicContact CG-CD2 4.45Å; Y643-Y665 VanDerWaalsContact CA-O 3.29Å; Y643-Y665 WeakPolarHBondContact CA-O 3.38Å; Y643-D666 HydrophobicContact CD1-CB 3.99Å; Y643-D666 HydrophobicContact CE1-CB 3.74Å; Y643-D666 VanDerWaalsContact CE1-CG 3.5Å
644	D	82.2	Confident	82.8	Confident	23 Å²	23	44 Å²	44	12%	0.123	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	136.8	168.1	-67.5	-38.2	0	0	0	109.3	N49 V612 Y646 Y665	N49-D644 PolarHBondContact ND2-OD2 3.48Å; V612-D644 HydrophobicContact CG2-CB 4.49Å; D644-Y646 HydrophobicContact CB-CE2 4.16Å; D644-Y665 HydrophobicContact CB-CD1 4.44Å; D644-Y665 PolarHBondContact N-O 3.13Å; D644-Y665 PolarHBondContact O-N 2.88Å
645	S	85	Confident	83.6	Confident	12 Å²	12	51.3 Å²	51.3	8%	0.084	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	131.4	171.8	-58.8	0	0	0	0	110	W567 V612 S613 V663 L664	W567-S645 WeakPolarHBondContact CZ3-O 3.32Å; V612-S645 CarbonylContact C-O 3.59Å; V612-S645 WeakPolarHBondContact CA-O 3.35Å; S613-S645 PolarHBondContact N-O 3.38Å; S613-S645 WeakPolarHBondContact OG-CA 3.35Å; S613-S645 WeakPolarHBondContact OG-CB 3.16Å; S613-S645 PolarHBondContact OG-N 3.44Å; S613-S645 PolarHBondContact OG-O 3.16Å; S645-V663 WeakPolarHBondContact CA-O 3.38Å; S645-L664 WeakPolarHBondContact OG-CD1 3.3Å
646	Y	87.8	Confident	84.1	Confident	2 Å²	2	53.6 Å²	53.6	1%	0.008	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	128.5	174.4	-71.9	-83.5	0	0	0	109.5	N49 F570 I576 I580 Y611 V612 D644 T662 V663 Y665	N49-Y646 PolarHBondContact ND2-OH 3.06Å; N49-Y646 VanDerWaalsContact ND2-OH 3.14Å; N49-Y646 PolarHBondContact OD1-OH 2.99Å; F570-Y646 AromaticContact CE1-CD1 3.79Å; F570-Y646 HydrophobicContact CE1-CD1 3.79Å; F570-Y646 HydrophobicContact CE1-CE1 4.13Å; F570-Y646 AromaticContact CZ-CD1 3.74Å; F570-Y646 HydrophobicContact CZ-CD1 3.74Å; F570-Y646 AromaticContact CZ-CE1 3.97Å; F570-Y646 HydrophobicContact CZ-CE1 3.97Å; I576-Y646 HydrophobicContact CG1-CE1 4.3Å; I580-Y646 HydrophobicContact CD1-CD1 3.9Å; I580-Y646 HydrophobicContact CD1-CD2 3.83Å; I580-Y646 HydrophobicContact CD1-CE2 4.45Å; I580-Y646 HydrophobicContact CD1-CG 3.51Å; Y611-Y646 CarbonylContact O-C 3.51Å; Y611-Y646 WeakPolarHBondContact O-CA 3.38Å; V612-Y646 HydrophobicContact CB-CD1 3.97Å; V612-Y646 HydrophobicContact CB-CE1 3.81Å; V612-Y646 HydrophobicContact CG2-CD1 4.06Å; V612-Y646 HydrophobicContact CG2-CE1 3.65Å; D644-Y646 HydrophobicContact CB-CE2 4.16Å; Y646-T662 CarbonylContact O-C 3.57Å; Y646-T662 VanDerWaalsContact O-CA 3.29Å; Y646-T662 WeakPolarHBondContact O-CA 3.45Å; Y646-V663 PolarHBondContact N-O 2.84Å; Y646-V663 PolarHBondContact O-N 3.37Å; Y646-Y665 HydrophobicContact CE2-CG 4.4Å
647	R	88.9	Confident	85	Confident	21 Å²	21	53.2 Å²	53.2	8%	0.079	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	120.3	171.3	-171.5	-177.7	68.7	-176.5	0.1	109.4	W567 A610 Y611 E660 A661	W567-R647 HydrophobicContact CE3-CB 4.42Å; W567-R647 HydrophobicContact CH2-CB 3.92Å; W567-R647 HydrophobicContact CZ3-CB 3.82Å; A610-R647 WeakPolarHBondContact CA-O 3.32Å; Y611-R647 VanDerWaalsContact CE2-NH2 3.33Å; Y611-R647 PolarHBondContact N-O 3.29Å; Y611-R647 PolarHBondContact O-N 3.34Å; R647-E660 HydrophobicContact CG-CG 4.17Å; R647-A661 WeakPolarHBondContact CA-O 3.46Å
648	L	92.1	Very high	86.1	Confident	1 Å²	1	49 Å²	49	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	137.7	177.6	-80.8	71.8	0	0	0	110.2	S577 I580 V607 E609 A610 I650 E660 A661	S577-L648 VanDerWaalsContact O-CD2 3.23Å; S577-L648 WeakPolarHBondContact O-CD2 3.15Å; I580-L648 HydrophobicContact CB-CD1 4.32Å; I580-L648 HydrophobicContact CB-CD2 3.85Å; I580-L648 HydrophobicContact CD1-CD1 4.17Å; I580-L648 HydrophobicContact CG2-CD1 3.95Å; I580-L648 HydrophobicContact CG2-CD2 3.85Å; I580-L648 HydrophobicContact CG2-CG 4.46Å; V607-L648 HydrophobicContact CG1-CD2 4.12Å; V607-L648 HydrophobicContact CG1-CG 4.28Å; E609-L648 WeakPolarHBondContact O-CA 3.23Å; A610-L648 HydrophobicContact CB-CG 4.47Å; L648-I650 HydrophobicContact CB-CG2 4.08Å; L648-I650 HydrophobicContact CD2-CG2 4.28Å; L648-E660 WeakPolarHBondContact O-CA 3.47Å; L648-A661 PolarHBondContact N-O 3.42Å; L648-A661 PolarHBondContact O-N 3.1Å
649	T	94.3	Very high	87.1	Confident	18 Å²	18	44.9 Å²	44.9	11%	0.11	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	111.8	163.5	-50.3	0	0	0	0	107.1	L608 E609 I658 Y659	L608-T649 HydrophobicContact CB-CG2 4.3Å; L608-T649 WeakPolarHBondContact CB-O 3.47Å; L608-T649 HydrophobicContact CD1-CG2 4.32Å; L608-T649 PolarHBondContact N-O 2.85Å; E609-T649 PolarHBondContact N-O 2.95Å; E609-T649 PolarHBondContact O-N 3.4Å; T649-I658 HydrophobicContact CG2-CG2 3.55Å; T649-Y659 CarbonylContact C-O 3.47Å; T649-Y659 WeakPolarHBondContact CA-O 3.18Å
650	I	94.3	Very high	88.2	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	150.9	-177.4	64.1	171.6	0	0	0	111.1	L584 V585 F588 L604 S606 V607 L648 T652 I658 Y659	L584-I650 HydrophobicContact CB-CD1 4.12Å; L584-I650 HydrophobicContact CD1-CD1 4.31Å; V585-I650 HydrophobicContact CG2-CD1 4Å; F588-I650 HydrophobicContact CE2-CD1 4.1Å; L604-I650 HydrophobicContact CD1-CB 3.78Å; L604-I650 HydrophobicContact CD1-CD1 4.05Å; L604-I650 HydrophobicContact CD1-CG1 4.45Å; L604-I650 HydrophobicContact CD1-CG2 4.01Å; S606-I650 WeakPolarHBondContact O-CA 3.34Å; V607-I650 HydrophobicContact CG1-CG2 4.47Å; V607-I650 HydrophobicContact CG2-CG2 4.27Å; L648-I650 HydrophobicContact CB-CG2 4.08Å; L648-I650 HydrophobicContact CD2-CG2 4.28Å; I650-T652 HydrophobicContact CD1-CG2 4.3Å; I650-I658 WeakPolarHBondContact O-CA 3.44Å; I650-Y659 PolarHBondContact N-O 2.87Å; I650-Y659 PolarHBondContact O-N 3.41Å
651	R	94.6	Very high	89.1	Confident	79 Å²	79	43.1 Å²	43.1	30%	0.298	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	138.2	169.1	-169.2	-178.4	-63.9	154.7	1.6	109.4	D605 S606 L608 K656 A657	D605-R651 HydrophobicContact CB-CB 4.37Å; D605-R651 HydrophobicContact CB-CG 4.39Å; D605-R651 WeakPolarHBondContact CB-O 3.5Å; D605-R651 PolarHBondContact N-O 3.31Å; D605-R651 WeakPolarHBondContact OD2-CD 3.42Å; S606-R651 PolarHBondContact N-O 2.77Å; S606-R651 PolarHBondContact O-N 3.13Å; L608-R651 HydrophobicContact CD1-CB 4.28Å; L608-R651 HydrophobicContact CD2-CB 4.39Å; L608-R651 HydrophobicContact CG-CB 4.33Å; R651-K656 HydrophobicContact CG-CB 4.28Å; R651-A657 CarbonylContact C-O 3.59Å; R651-A657 VanDerWaalsContact CA-O 3.3Å; R651-A657 WeakPolarHBondContact CA-O 3.33Å
652	T	94	Very high	89.6	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	150.1	176.6	71.5	0	0	0	0	112.7	V585 R603 I650 K656 A657 Y659	V585-T652 HydrophobicContact CG2-CG2 3.78Å; R603-T652 CarbonylContact O-C 3.49Å; R603-T652 WeakPolarHBondContact O-CA 3.35Å; R603-T652 WeakPolarHBondContact O-CB 3.39Å; I650-T652 HydrophobicContact CD1-CG2 4.3Å; T652-K656 CarbonylContact O-C 3.44Å; T652-K656 WeakPolarHBondContact O-CA 3.31Å; T652-K656 PolarHBondContact O-N 3.06Å; T652-A657 PolarHBondContact N-O 3.46Å; T652-A657 PolarHBondContact O-N 2.96Å; T652-Y659 HydrophobicContact CG2-CD2 3.88Å; T652-Y659 HydrophobicContact CG2-CE2 3.89Å; T652-Y659 VanDerWaalsContact OG1-CE2 3.31Å; T652-Y659 WeakPolarHBondContact OG1-CE2 3.23Å
653	N	91.3	Very high	90.2	Very high	52 Å²	52	44.6 Å²	44.6	28%	0.278	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	151.9	169.5	-75.5	-34.4	0	0	0	110.1	L602 R603 D605	L602-N653 WeakPolarHBondContact CA-O 3.3Å; R603-N653 PolarHBondContact N-O 3.2Å; R603-N653 PolarHBondContact O-N 2.94Å; D605-N653 PolarHBondContact OD1-ND2 2.96Å
654	P	89.8	Confident	90.5	Very high	80 Å²	80	44.3 Å²	44.3	52%	0.519	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	cis	-89	-20.4	15.6	32.4	-35.3	0	0	0	116.4	K656	P654-K656 PolarHBondContact O-N 3.19Å
655	R	89	Confident	90.6	Very high	228 Å²	228	43.5 Å²	43.5	86%	0.86	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90	8.2	-170.5	-71.9	-73.4	-174.5	172.4	0.3	114.9	A657	R655-A657 PolarHBondContact O-N 3.36Å
656	K	91.1	Very high	90.5	Very high	138 Å²	138	43.3 Å²	43.3	60%	0.6	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.2	33.1	-174.3	-64.1	-173.1	177.7	-178.4	0	112.7	R651 T652 P654	R651-K656 HydrophobicContact CG-CB 4.28Å; T652-K656 CarbonylContact O-C 3.44Å; T652-K656 WeakPolarHBondContact O-CA 3.31Å; T652-K656 PolarHBondContact O-N 3.06Å; P654-K656 PolarHBondContact O-N 3.19Å
657	A	93	Very high	90.1	Very high	31 Å²	31	44.4 Å²	44.4	26%	0.256	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	141.8	179	0	0	0	0	0	109.5	R651 T652 R655 Y659	R651-A657 CarbonylContact C-O 3.59Å; R651-A657 VanDerWaalsContact CA-O 3.3Å; R651-A657 WeakPolarHBondContact CA-O 3.33Å; T652-A657 PolarHBondContact N-O 3.46Å; T652-A657 PolarHBondContact O-N 2.96Å; R655-A657 PolarHBondContact O-N 3.36Å; A657-Y659 HydrophobicContact CB-CD2 4.46Å; A657-Y659 HydrophobicContact CB-CE2 3.54Å
658	I	94.7	Very high	89.5	Confident	97 Å²	97	45.4 Å²	45.4	50%	0.497	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	130.9	179.6	-60.9	176	0	0	0	107.4	L608 T649 I650	L608-I658 HydrophobicContact CD1-CD1 4Å; L608-I658 HydrophobicContact CD1-CG1 4.11Å; L608-I658 HydrophobicContact CD1-CG2 4.21Å; T649-I658 HydrophobicContact CG2-CG2 3.55Å; I650-I658 WeakPolarHBondContact O-CA 3.44Å
659	Y	93.6	Very high	88.9	Confident	59 Å²	59	50.7 Å²	50.7	23%	0.231	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	138.3	176.6	-59.1	-91.5	0	0	0	109	F588 T649 I650 T652 A657 V679 S680	F588-Y659 HydrophobicContact CE2-CD1 4.06Å; F588-Y659 HydrophobicContact CE2-CD2 4.15Å; F588-Y659 AromaticContact CE2-CG 3.84Å; F588-Y659 HydrophobicContact CE2-CG 3.84Å; F588-Y659 HydrophobicContact CZ-CD1 4.47Å; F588-Y659 HydrophobicContact CZ-CG 4.41Å; T649-Y659 CarbonylContact C-O 3.47Å; T649-Y659 WeakPolarHBondContact CA-O 3.18Å; I650-Y659 PolarHBondContact N-O 2.87Å; I650-Y659 PolarHBondContact O-N 3.41Å; T652-Y659 HydrophobicContact CG2-CD2 3.88Å; T652-Y659 HydrophobicContact CG2-CE2 3.89Å; T652-Y659 VanDerWaalsContact OG1-CE2 3.31Å; T652-Y659 WeakPolarHBondContact OG1-CE2 3.23Å; A657-Y659 HydrophobicContact CB-CD2 4.46Å; A657-Y659 HydrophobicContact CB-CE2 3.54Å; Y659-V679 HydrophobicContact CD1-CG1 4.12Å; Y659-S680 CarbonylContact C-O 3.56Å; Y659-S680 WeakPolarHBondContact CA-O 3.49Å
660	E	92.2	Very high	88.4	Confident	51 Å²	51	52 Å²	52	24%	0.238	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	128.3	165.6	-175.4	174	96.5	0	0	109.1	R647 L648 V679 S680	R647-E660 HydrophobicContact CG-CG 4.17Å; L648-E660 WeakPolarHBondContact O-CA 3.47Å; E660-V679 WeakPolarHBondContact O-CA 3.24Å; E660-S680 PolarHBondContact N-O 3.01Å; E660-S680 PolarHBondContact O-N 3.04Å
661	A	89.9	Confident	88	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.008	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	143.7	179.3	0	0	0	0	0	110.8	L584 R647 L648 V679	L584-A661 HydrophobicContact CD1-CB 3.65Å; L584-A661 HydrophobicContact CD2-CB 3.65Å; L584-A661 HydrophobicContact CG-CB 4.32Å; R647-A661 WeakPolarHBondContact CA-O 3.46Å; L648-A661 PolarHBondContact N-O 3.42Å; L648-A661 PolarHBondContact O-N 3.1Å; A661-V679 HydrophobicContact CB-CG2 3.99Å
662	T	87.1	Confident	87.6	Confident	35 Å²	35	48.9 Å²	48.9	22%	0.215	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	125.7	169.1	-56.4	0	0	0	0	108.9	W567 Y646	W567-T662 HydrophobicContact CH2-CG2 4.31Å; Y646-T662 CarbonylContact O-C 3.57Å; Y646-T662 VanDerWaalsContact O-CA 3.29Å; Y646-T662 WeakPolarHBondContact O-CA 3.45Å
663	V	88.1	Confident	87.3	Confident	2 Å²	2	49.5 Å²	49.5	1%	0.012	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	134.2	-178.5	179.9	0	0	0	0	108.4	I580 L584 S645 Y646 L672 L673 I674	I580-V663 HydrophobicContact CG2-CB 4.16Å; I580-V663 HydrophobicContact CG2-CG1 4.47Å; I580-V663 HydrophobicContact CG2-CG2 3.72Å; L584-V663 HydrophobicContact CD1-CG2 4.29Å; L584-V663 HydrophobicContact CD2-CG2 3.94Å; L584-V663 HydrophobicContact CG-CG2 4.24Å; S645-V663 WeakPolarHBondContact CA-O 3.38Å; Y646-V663 PolarHBondContact N-O 2.84Å; Y646-V663 PolarHBondContact O-N 3.37Å; V663-L672 HydrophobicContact CG1-CB 4.3Å; V663-L672 HydrophobicContact CG1-CD2 3.88Å; V663-L673 WeakPolarHBondContact CG1-O 3.46Å; V663-I674 HydrophobicContact CG1-CG1 3.98Å; V663-I674 HydrophobicContact CG2-CG1 4.1Å
664	L	86.7	Confident	87.1	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	133.9	176.7	-169.1	68.8	0	0	0	109.6	F91 V104 Y643 S645 L672 L673	F91-L664 HydrophobicContact CE1-CB 3.88Å; F91-L664 HydrophobicContact CE1-CD2 4.27Å; F91-L664 HydrophobicContact CZ-CB 3.87Å; F91-L664 HydrophobicContact CZ-CD2 3.68Å; F91-L664 HydrophobicContact CZ-CG 4.33Å; V104-L664 HydrophobicContact CB-CD1 4.22Å; V104-L664 HydrophobicContact CB-CD2 4.38Å; V104-L664 HydrophobicContact CG1-CD2 3.94Å; V104-L664 HydrophobicContact CG2-CD1 3.65Å; V104-L664 HydrophobicContact CG2-CD2 4.27Å; Y643-L664 HydrophobicContact CD1-CD2 3.96Å; Y643-L664 HydrophobicContact CD1-CG 4.2Å; Y643-L664 HydrophobicContact CG-CD2 4.45Å; S645-L664 WeakPolarHBondContact OG-CD1 3.3Å; L664-L672 CarbonylContact O-C 3.24Å; L664-L672 WeakPolarHBondContact O-CA 3.42Å; L664-L673 HydrophobicContact CB-CB 4.3Å; L664-L673 HydrophobicContact CD2-CD1 4.33Å; L664-L673 PolarHBondContact N-O 3.44Å; L664-L673 PolarHBondContact O-N 2.78Å
665	Y	85.3	Confident	86.9	Confident	7 Å²	7	44.2 Å²	44.2	3%	0.027	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	112.6	172.8	179.1	-121.4	0	0	0	109.4	N49 P76 Y643 D644 Y646 V667 V671 L672	N49-Y665 WeakPolarHBondContact ND2-CD1 3.26Å; N49-Y665 WeakPolarHBondContact ND2-CE1 3.01Å; P76-Y665 HydrophobicContact CB-CD2 4.33Å; P76-Y665 HydrophobicContact CB-CE2 3.59Å; P76-Y665 HydrophobicContact CG-CD2 4.37Å; P76-Y665 HydrophobicContact CG-CE2 3.84Å; Y643-Y665 VanDerWaalsContact CA-O 3.29Å; Y643-Y665 WeakPolarHBondContact CA-O 3.38Å; D644-Y665 HydrophobicContact CB-CD1 4.44Å; D644-Y665 PolarHBondContact N-O 3.13Å; D644-Y665 PolarHBondContact O-N 2.88Å; Y646-Y665 HydrophobicContact CE2-CG 4.4Å; Y665-V667 HydrophobicContact CD1-CB 4.39Å; Y665-V667 HydrophobicContact CD1-CG2 3.65Å; Y665-V667 HydrophobicContact CE1-CB 4.13Å; Y665-V667 HydrophobicContact CE1-CG1 4.23Å; Y665-V667 HydrophobicContact CE1-CG2 3.79Å; Y665-V667 PolarHBondContact O-N 3.09Å; Y665-V671 WeakPolarHBondContact CD2-O 3.46Å; Y665-L672 HydrophobicContact CD2-CD2 3.67Å; Y665-L672 HydrophobicContact CD2-CG 3.94Å; Y665-L672 HydrophobicContact CG-CD2 4.04Å
666	D	83.1	Confident	86.6	Confident	7 Å²	7	34.4 Å²	34.4	4%	0.037	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	101.5	168.3	-173.9	-29.1	0	0	0	108.2	Y643 T668 K669 A670 V671	Y643-D666 HydrophobicContact CD1-CB 3.99Å; Y643-D666 HydrophobicContact CE1-CB 3.74Å; Y643-D666 VanDerWaalsContact CE1-CG 3.5Å; D666-T668 PolarHBondContact O-N 2.97Å; D666-T668 WeakPolarHBondContact OD1-CB 3.39Å; D666-T668 PolarHBondContact OD1-N 3.34Å; D666-T668 PolarHBondContact OD1-OG1 3.3Å; D666-K669 HydrophobicContact CB-CB 4.47Å; D666-K669 PolarHBondContact O-N 3.46Å; D666-K669 PolarHBondContact OD1-N 2.85Å; D666-K669 WeakPolarHBondContact OD2-CD 3.36Å; D666-K669 IonicContact OD2-NZ 3.29Å; D666-A670 VanDerWaalsContact O-CA 3.28Å; D666-A670 WeakPolarHBondContact O-CA 3.18Å; D666-A670 PolarHBondContact O-N 3.2Å; D666-V671 PolarHBondContact N-O 3.31Å; D666-V671 PolarHBondContact O-N 2.92Å; D666-V671 VanDerWaalsContact O-N 3.13Å
667	V	79.3	Confident	86.1	Confident	25 Å²	25	32.8 Å²	32.8	15%	0.152	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-30.3	-177.5	-171.4	0	0	0	0	110.5	P642 Y665	P642-V667 WeakPolarHBondContact O-CB 3.42Å; P642-V667 WeakPolarHBondContact O-CG2 3.41Å; P642-V667 PolarHBondContact O-N 3.3Å; Y665-V667 HydrophobicContact CD1-CB 4.39Å; Y665-V667 HydrophobicContact CD1-CG2 3.65Å; Y665-V667 HydrophobicContact CE1-CB 4.13Å; Y665-V667 HydrophobicContact CE1-CG1 4.23Å; Y665-V667 HydrophobicContact CE1-CG2 3.79Å; Y665-V667 PolarHBondContact O-N 3.09Å
668	T	76.2	Confident	85.2	Confident	43 Å²	43	33 Å²	33	26%	0.264	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-36.3	-177.4	70.5	0	0	0	0	111.5	E111 K474 P642 D666	E111-T668 HydrophobicContact CG-CG2 4.28Å; K474-T668 HydrophobicContact CD-CG2 4.39Å; P642-T668 HydrophobicContact CB-CG2 3.98Å; D666-T668 PolarHBondContact O-N 2.97Å; D666-T668 WeakPolarHBondContact OD1-CB 3.39Å; D666-T668 PolarHBondContact OD1-N 3.34Å; D666-T668 PolarHBondContact OD1-OG1 3.3Å
669	K	79.9	Confident	84.6	Confident	112 Å²	112	30 Å²	30	49%	0.487	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-7.6	179.9	-62.5	177.6	-169.9	156.2	0	113.8	D666 V671	D666-K669 HydrophobicContact CB-CB 4.47Å; D666-K669 PolarHBondContact O-N 3.46Å; D666-K669 PolarHBondContact OD1-N 2.85Å; D666-K669 WeakPolarHBondContact OD2-CD 3.36Å; D666-K669 IonicContact OD2-NZ 3.29Å; K669-V671 HydrophobicContact CB-CB 4.49Å; K669-V671 HydrophobicContact CB-CG2 3.89Å
670	A	83.2	Confident	84.1	Confident	45 Å²	45	31.1 Å²	31.1	37%	0.372	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	52	-169.9	0	0	0	0	0	112.1	P76 E77 D666	P76-A670 WeakPolarHBondContact CA-O 3.36Å; P76-A670 HydrophobicContact CB-CB 4.49Å; P76-A670 WeakPolarHBondContact CB-O 3.48Å; E77-A670 PolarHBondContact N-O 3.29Å; D666-A670 VanDerWaalsContact O-CA 3.28Å; D666-A670 WeakPolarHBondContact O-CA 3.18Å; D666-A670 PolarHBondContact O-N 3.2Å
671	V	85.5	Confident	83.7	Confident	11 Å²	11	30.2 Å²	30.2	7%	0.067	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	131.6	-179.8	179.3	0	0	0	0	110.3	E77 K79 Y665 D666 K669 L673	E77-V671 HydrophobicContact CB-CG2 4.4Å; E77-V671 CarbonylContact O-C 3.53Å; E77-V671 VanDerWaalsContact O-CA 3.28Å; E77-V671 WeakPolarHBondContact O-CA 3.28Å; E77-V671 WeakPolarHBondContact O-CG1 3.48Å; K79-V671 HydrophobicContact CB-CG1 4.33Å; K79-V671 HydrophobicContact CD-CG1 3.97Å; K79-V671 HydrophobicContact CG-CG1 3.91Å; Y665-V671 WeakPolarHBondContact CD2-O 3.46Å; D666-V671 PolarHBondContact N-O 3.31Å; D666-V671 PolarHBondContact O-N 2.92Å; D666-V671 VanDerWaalsContact O-N 3.13Å; K669-V671 HydrophobicContact CB-CB 4.49Å; K669-V671 HydrophobicContact CB-CG2 3.89Å; V671-L673 HydrophobicContact CG1-CD2 3.73Å; V671-L673 HydrophobicContact CG1-CG 4.42Å
672	L	87.4	Confident	83.4	Confident	2 Å²	2	31.7 Å²	31.7	1%	0.01	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	124.8	167.5	-74.7	169.8	0	0	0	110.1	P76 E77 V78 K79 Y579 I580 V663 L664 Y665	P76-L672 HydrophobicContact CB-CG 4.38Å; P76-L672 HydrophobicContact CG-CD1 3.73Å; P76-L672 HydrophobicContact CG-CG 3.8Å; E77-L672 PolarHBondContact O-N 2.85Å; V78-L672 CarbonylContact C-O 3.57Å; V78-L672 WeakPolarHBondContact CA-O 3.29Å; V78-L672 HydrophobicContact CG2-CB 4.11Å; V78-L672 HydrophobicContact CG2-CD1 4.28Å; K79-L672 PolarHBondContact N-O 3.17Å; Y579-L672 HydrophobicContact CD1-CD1 3.79Å; Y579-L672 HydrophobicContact CE1-CD1 3.47Å; Y579-L672 VanDerWaalsContact CE1-CD1 3.47Å; I580-L672 HydrophobicContact CG1-CD1 4.13Å; I580-L672 HydrophobicContact CG1-CD2 4.48Å; V663-L672 HydrophobicContact CG1-CB 4.3Å; V663-L672 HydrophobicContact CG1-CD2 3.88Å; L664-L672 CarbonylContact O-C 3.24Å; L664-L672 WeakPolarHBondContact O-CA 3.42Å; Y665-L672 HydrophobicContact CD2-CD2 3.67Å; Y665-L672 HydrophobicContact CD2-CG 3.94Å; Y665-L672 HydrophobicContact CG-CD2 4.04Å
673	L	87	Confident	83.1	Confident	14 Å²	14	31.5 Å²	31.5	7%	0.073	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	115.7	177.7	-56.1	177.1	0	0	0	109	K79 V81 I87 V663 L664 V671	K79-L673 HydrophobicContact CB-CD2 3.9Å; K79-L673 WeakPolarHBondContact O-CA 3.37Å; V81-L673 HydrophobicContact CG1-CD2 4.28Å; I87-L673 HydrophobicContact CD1-CD1 4.45Å; V663-L673 WeakPolarHBondContact CG1-O 3.46Å; L664-L673 HydrophobicContact CB-CB 4.3Å; L664-L673 HydrophobicContact CD2-CD1 4.33Å; L664-L673 PolarHBondContact N-O 3.44Å; L664-L673 PolarHBondContact O-N 2.78Å; V671-L673 HydrophobicContact CG1-CD2 3.73Å; V671-L673 HydrophobicContact CG1-CG 4.42Å
674	I	88	Confident	82.9	Confident	3 Å²	3	33.2 Å²	33.2	2%	0.015	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	115.9	175.4	-61.7	176.7	0	0	0	107.9	V78 K79 V80 V81 E583 L584 A587 V663 L676	V78-I674 HydrophobicContact CG1-CD1 3.64Å; V78-I674 HydrophobicContact CG1-CG1 4.12Å; K79-I674 PolarHBondContact O-N 3.16Å; V80-I674 WeakPolarHBondContact CA-O 3.45Å; V81-I674 PolarHBondContact N-O 3.42Å; E583-I674 HydrophobicContact CB-CD1 4.16Å; L584-I674 HydrophobicContact CD2-CD1 4.19Å; L584-I674 HydrophobicContact CD2-CG1 4.42Å; L584-I674 HydrophobicContact CD2-CG2 3.76Å; L584-I674 HydrophobicContact CG-CD1 4.38Å; A587-I674 HydrophobicContact CB-CD1 4.47Å; A587-I674 HydrophobicContact CB-CG2 4.43Å; V663-I674 HydrophobicContact CG1-CG1 3.98Å; V663-I674 HydrophobicContact CG2-CG1 4.1Å; I674-L676 HydrophobicContact CG2-CD2 3.86Å; I674-L676 HydrophobicContact CG2-CG 4.3Å
675	D	84	Confident	82.6	Confident	18 Å²	18	35.3 Å²	35.3	10%	0.096	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	109	168.3	-170.5	-12.9	0	0	0	109.3	V81 D677 L678	V81-D675 HydrophobicContact CG2-CB 4.27Å; D675-D677 PolarHBondContact O-N 3.46Å; D675-D677 WeakPolarHBondContact OD1-CB 3.48Å; D675-D677 PolarHBondContact OD1-N 2.92Å; D675-L678 HydrophobicContact CB-CD1 3.86Å; D675-L678 HydrophobicContact CB-CG 3.97Å; D675-L678 PolarHBondContact O-N 3.16Å
676	L	83.6	Confident	82.4	Confident	22 Å²	22	37.2 Å²	37.2	12%	0.115	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-70.5	-17.1	-178.1	-67.7	177.3	0	0	0	112.8	V80 A587 F588 Q591 I674 L678 V679	V80-L676 HydrophobicContact CG1-CD1 3.69Å; V80-L676 HydrophobicContact CG1-CG 3.95Å; A587-L676 HydrophobicContact CB-CD1 4.37Å; A587-L676 HydrophobicContact CB-CD2 4.02Å; F588-L676 HydrophobicContact CD1-CD2 3.69Å; F588-L676 HydrophobicContact CE1-CD2 3.68Å; Q591-L676 HydrophobicContact CB-CD1 4.37Å; I674-L676 HydrophobicContact CG2-CD2 3.86Å; I674-L676 HydrophobicContact CG2-CG 4.3Å; L676-L678 PolarHBondContact O-N 2.9Å; L676-V679 HydrophobicContact CD2-CG2 4.15Å; L676-V679 PolarHBondContact O-N 2.83Å
677	D	79.8	Confident	82.4	Confident	104 Å²	104	39.4 Å²	39.4	56%	0.556	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-71.9	-11.6	176.6	-68	-16.7	0	0	0	112.1	D675	D675-D677 PolarHBondContact O-N 3.46Å; D675-D677 WeakPolarHBondContact OD1-CB 3.48Å; D675-D677 PolarHBondContact OD1-N 2.92Å
678	L	74	Confident	82.6	Confident	35 Å²	35	40.5 Å²	40.5	18%	0.183	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-99.6	-5.4	-179.8	-54.4	-178.8	0	0	0	114.4	F91 D675 L676	F91-L678 HydrophobicContact CB-CD1 3.41Å; F91-L678 VanDerWaalsContact CB-CD1 3.41Å; F91-L678 HydrophobicContact CB-CD2 3.85Å; F91-L678 HydrophobicContact CB-CG 4.13Å; F91-L678 HydrophobicContact CD1-CD1 3.27Å; F91-L678 HydrophobicContact CE1-CD1 4.16Å; F91-L678 HydrophobicContact CG-CD1 3.53Å; F91-L678 WeakPolarHBondContact O-CD2 3.26Å; D675-L678 HydrophobicContact CB-CD1 3.86Å; D675-L678 HydrophobicContact CB-CG 3.97Å; D675-L678 PolarHBondContact O-N 3.16Å; L676-L678 PolarHBondContact O-N 2.9Å
679	V	83.1	Confident	83.2	Confident	35 Å²	35	40.3 Å²	40.3	21%	0.212	23%	0.23	C	C	.	.			trans	-77.2	132	179.7	-179	0	0	0	0	108	F588 Y659 E660 A661 L676	F588-V679 HydrophobicContact CE1-CB 4.38Å; F588-V679 HydrophobicContact CE1-CG1 3.85Å; F588-V679 HydrophobicContact CE1-CG2 3.83Å; F588-V679 HydrophobicContact CZ-CG1 3.57Å; F588-V679 HydrophobicContact CZ-CG2 4.19Å; Y659-V679 HydrophobicContact CD1-CG1 4.12Å; E660-V679 WeakPolarHBondContact O-CA 3.24Å; A661-V679 HydrophobicContact CB-CG2 3.99Å; L676-V679 HydrophobicContact CD2-CG2 4.15Å; L676-V679 PolarHBondContact O-N 2.83Å
680	S	82.3	Confident	83.4	Confident	82 Å²	82	33.7 Å²	33.7	57%	0.573	21%	0.207	S	C	*	.			trans	-126.4	0	174.7	66.8	0	0	0	0	114.6	K93 Y659 E660	K93-S680 PolarHBondContact NZ-OG 3Å; K93-S680 VanDerWaalsContact NZ-OG 3.11Å; Y659-S680 CarbonylContact C-O 3.56Å; Y659-S680 WeakPolarHBondContact CA-O 3.49Å; E660-S680 PolarHBondContact N-O 3.01Å; E660-S680 PolarHBondContact O-N 3.04Å

Retrieved 680 of 680 residues in 141.6 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).