A0A3Q0KP74_SCHMA Loading...

Glycosyltransferase-related

AlphaFold DB , UniProt , Accession A0A3Q0KP74, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 788 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	41.2	Very low	45.5	Very low	206 Å²	206	123.1 Å²	123.1	100%	1.015	65%	0.65	S	S	*	*				0	-48.9	0	-77.6	-147.4	-133	0	0	113.3	T3 C4 Y5	M1-T3 VanDerWaalsContact C-N 3.34Å; M1-T3 PolarHBondContact O-N 2.95Å; M1-C4 PolarHBondContact O-N 3.13Å; M1-Y5 PolarHBondContact O-N 2.85Å; M1-Y5 VanDerWaalsContact O-N 3.08Å
2	Q	40.8	Very low	45.2	Very low	168 Å²	168	118.8 Å²	118.8	79%	0.785	64%	0.637	S	S	*	*	H	α-helix	trans	-59.3	-37.5	177.5	-84.8	172.8	-28.4	0	0	114.2	Y5 I6	Q2-Y5 PolarHBondContact O-N 2.94Å; Q2-I6 WeakPolarHBondContact O-CG1 3.31Å; Q2-I6 PolarHBondContact O-N 3.19Å
3	T	41.8	Very low	45.3	Very low	106 Å²	106	114.9 Å²	114.9	65%	0.65	62%	0.623	S	S	*	*	H	α-helix	trans	-66.1	-37	175	19.8	0	0	0	0	113.4	M1 Y5 L7	M1-T3 VanDerWaalsContact C-N 3.34Å; M1-T3 PolarHBondContact O-N 2.95Å; T3-Y5 VanDerWaalsContact C-N 3.34Å; T3-L7 PolarHBondContact O-N 3.42Å; T3-L7 VanDerWaalsContact O-N 3.13Å
4	C	42	Very low	45.1	Very low	82 Å²	82	111.7 Å²	111.7	55%	0.554	61%	0.612	S	S	*	*	H	α-helix	trans	-67.6	-34.6	171.9	-72.6	0	0	0	0	112.1	M1 L7 L8	M1-C4 PolarHBondContact O-N 3.13Å; C4-L7 PolarHBondContact O-N 3.38Å; C4-L8 WeakPolarHBondContact O-CB 3.25Å; C4-L8 PolarHBondContact O-N 3.09Å
5	Y	46.9	Very low	45.1	Very low	173 Å²	173	109.1 Å²	109.1	68%	0.678	60%	0.601	S	S	*	*	H	α-helix	trans	-67.7	-39.6	178.1	-136.6	-90.8	0	0	0	111.9	M1 Q2 T3 L8 I9	M1-Y5 PolarHBondContact O-N 2.85Å; M1-Y5 VanDerWaalsContact O-N 3.08Å; Q2-Y5 PolarHBondContact O-N 2.94Å; T3-Y5 VanDerWaalsContact C-N 3.34Å; Y5-L8 PolarHBondContact O-N 3.21Å; Y5-I9 HydrophobicContact CD1-CD1 3.83Å; Y5-I9 HydrophobicContact CD1-CG1 4.42Å; Y5-I9 HydrophobicContact CE1-CD1 4.26Å; Y5-I9 VanDerWaalsContact O-CG1 3.3Å; Y5-I9 WeakPolarHBondContact O-CG1 2.9Å; Y5-I9 PolarHBondContact O-N 3.45Å
6	I	55.5	Low	45.2	Very low	116 Å²	116	109.6 Å²	109.6	60%	0.595	60%	0.602	S	S	*	*	H	α-helix	trans	-66.6	-42.1	175.1	-66.1	168.5	0	0	0	110.9	Q2 L8 I9 C10	Q2-I6 WeakPolarHBondContact O-CG1 3.31Å; Q2-I6 PolarHBondContact O-N 3.19Å; I6-L8 PolarHBondContact O-N 2.98Å; I6-I9 PolarHBondContact O-N 3.37Å; I6-C10 WeakPolarHBondContact O-CB 3.42Å; I6-C10 PolarHBondContact O-N 2.87Å
7	L	44.6	Very low	45.3	Very low	126 Å²	126	109.9 Å²	109.9	66%	0.66	60%	0.602	S	S	*	*	H	α-helix	trans	-63.3	-39.4	175.2	-90	155	0	0	0	112.3	T3 C4 C10 C11	T3-L7 PolarHBondContact O-N 3.42Å; T3-L7 VanDerWaalsContact O-N 3.13Å; C4-L7 PolarHBondContact O-N 3.38Å; L7-C10 PolarHBondContact O-N 3.11Å; L7-C11 WeakPolarHBondContact O-CB 3.42Å; L7-C11 PolarHBondContact O-N 3.14Å
8	L	45	Very low	45.2	Very low	117 Å²	117	109.3 Å²	109.3	61%	0.613	60%	0.597	S	S	*	*	H	α-helix	trans	-66.2	-41	175.2	-109.4	120.6	0	0	0	112.6	C4 Y5 I6 C11 C12	C4-L8 WeakPolarHBondContact O-CB 3.25Å; C4-L8 PolarHBondContact O-N 3.09Å; Y5-L8 PolarHBondContact O-N 3.21Å; I6-L8 PolarHBondContact O-N 2.98Å; L8-C11 PolarHBondContact O-N 2.99Å; L8-C12 WeakPolarHBondContact O-CB 3.31Å; L8-C12 PolarHBondContact O-N 3.34Å
9	I	55.3	Low	45.4	Very low	95 Å²	95	108.4 Å²	108.4	49%	0.487	59%	0.591	S	S	.	*	H	α-helix	trans	-65.4	-41.8	175.6	-67.7	167.1	0	0	0	110.5	Y5 I6 C11 C12 C13	Y5-I9 HydrophobicContact CD1-CD1 3.83Å; Y5-I9 HydrophobicContact CD1-CG1 4.42Å; Y5-I9 HydrophobicContact CE1-CD1 4.26Å; Y5-I9 VanDerWaalsContact O-CG1 3.3Å; Y5-I9 WeakPolarHBondContact O-CG1 2.9Å; Y5-I9 PolarHBondContact O-N 3.45Å; I6-I9 PolarHBondContact O-N 3.37Å; I9-C11 PolarHBondContact O-N 2.88Å; I9-C12 PolarHBondContact O-N 3.26Å; I9-C13 WeakPolarHBondContact O-CB 3.19Å; I9-C13 PolarHBondContact O-N 3.28Å
10	C	45.3	Very low	45.3	Very low	78 Å²	78	110.2 Å²	110.2	53%	0.527	59%	0.589	S	S	.	*	H	α-helix	trans	-65.4	-38.8	176.8	-128.1	0	0	0	0	111.9	I6 L7 C13 C14	I6-C10 WeakPolarHBondContact O-CB 3.42Å; I6-C10 PolarHBondContact O-N 2.87Å; L7-C10 PolarHBondContact O-N 3.11Å; C10-C13 PolarHBondContact O-N 3.31Å; C10-C14 WeakPolarHBondContact O-CB 3.38Å; C10-C14 PolarHBondContact O-N 3.12Å; C10-C14 PolarHBondContact O-SG 3.12Å; C10-C14 VanDerWaalsContact O-SG 3.35Å
11	C	42.4	Very low	45.4	Very low	87 Å²	87	111.1 Å²	111.1	59%	0.588	59%	0.59	S	S	*	*	H	α-helix	trans	-68	-40.1	176.1	-135.6	0	0	0	0	111.8	L7 L8 I9 C14 T15	L7-C11 WeakPolarHBondContact O-CB 3.42Å; L7-C11 PolarHBondContact O-N 3.14Å; L8-C11 PolarHBondContact O-N 2.99Å; I9-C11 PolarHBondContact O-N 2.88Å; C11-C14 PolarHBondContact O-N 3.11Å; C11-T15 PolarHBondContact O-N 3.05Å; C11-T15 PolarHBondContact O-OG1 2.69Å
12	C	41.5	Very low	45.5	Very low	72 Å²	72	108.3 Å²	108.3	49%	0.486	57%	0.572	S	S	.	*	H	α-helix	trans	-65	-40.8	172.8	-92	0	0	0	0	112.7	L8 I9 T15 L16	L8-C12 WeakPolarHBondContact O-CB 3.31Å; L8-C12 PolarHBondContact O-N 3.34Å; I9-C12 PolarHBondContact O-N 3.26Å; C12-T15 WeakPolarHBondContact CA-OG1 3.4Å; C12-T15 PolarHBondContact O-N 3.18Å; C12-T15 PolarHBondContact O-OG1 3.12Å; C12-L16 WeakPolarHBondContact O-CB 3.45Å; C12-L16 PolarHBondContact O-N 3.13Å
13	C	46.4	Very low	45.7	Very low	68 Å²	68	106.4 Å²	106.4	46%	0.459	56%	0.563	S	S	.	*	H	α-helix	trans	-65.3	-41	174.5	-83.2	0	0	0	0	112	I9 C10 L16 L17	I9-C13 WeakPolarHBondContact O-CB 3.19Å; I9-C13 PolarHBondContact O-N 3.28Å; C10-C13 PolarHBondContact O-N 3.31Å; C13-L16 PolarHBondContact O-N 3.19Å; C13-L17 WeakPolarHBondContact O-CB 3.1Å; C13-L17 PolarHBondContact O-N 2.81Å
14	C	42.2	Very low	45.8	Very low	70 Å²	70	104.7 Å²	104.7	47%	0.473	55%	0.55	S	S	.	.	H	α-helix	trans	-66.4	-38.1	175.4	-73.1	0	0	0	0	112.3	C10 C11 L17 L18	C10-C14 WeakPolarHBondContact O-CB 3.38Å; C10-C14 PolarHBondContact O-N 3.12Å; C10-C14 PolarHBondContact O-SG 3.12Å; C10-C14 VanDerWaalsContact O-SG 3.35Å; C11-C14 PolarHBondContact O-N 3.11Å; C14-L17 PolarHBondContact O-N 3.4Å; C14-L18 WeakPolarHBondContact O-CB 3.2Å; C14-L18 WeakPolarHBondContact O-CG 3.09Å; C14-L18 PolarHBondContact O-N 2.7Å
15	T	45.6	Very low	45.7	Very low	72 Å²	72	107.7 Å²	107.7	44%	0.442	55%	0.554	S	S	.	*	H	α-helix	trans	-69.6	-37.4	175.1	25.1	0	0	0	0	112.1	C11 C12 L18 I19	C11-T15 PolarHBondContact O-N 3.05Å; C11-T15 PolarHBondContact O-OG1 2.69Å; C12-T15 WeakPolarHBondContact CA-OG1 3.4Å; C12-T15 PolarHBondContact O-N 3.18Å; C12-T15 PolarHBondContact O-OG1 3.12Å; T15-L18 PolarHBondContact O-N 3.11Å; T15-I19 WeakPolarHBondContact O-CB 3.31Å; T15-I19 WeakPolarHBondContact O-CD1 3.07Å; T15-I19 WeakPolarHBondContact O-CG1 3.32Å; T15-I19 PolarHBondContact O-N 3.1Å
16	L	46.6	Very low	45.3	Very low	118 Å²	118	105 Å²	105	62%	0.618	55%	0.55	S	S	*	*	H	α-helix	trans	-64.2	-42	172.9	-86.6	157.2	0	0	0	112.1	C12 C13 I19 Y20	C12-L16 WeakPolarHBondContact O-CB 3.45Å; C12-L16 PolarHBondContact O-N 3.13Å; C13-L16 PolarHBondContact O-N 3.19Å; L16-I19 PolarHBondContact O-N 3.03Å; L16-Y20 WeakPolarHBondContact O-CB 3.44Å; L16-Y20 PolarHBondContact O-N 2.96Å
17	L	46.9	Very low	44.5	Very low	114 Å²	114	100.7 Å²	100.7	60%	0.597	53%	0.531	S	S	*	.	H	α-helix	trans	-62.3	-43.7	173.3	-99.9	141.8	0	0	0	112.1	C13 C14 I19 Y20 E21	C13-L17 WeakPolarHBondContact O-CB 3.1Å; C13-L17 PolarHBondContact O-N 2.81Å; C14-L17 PolarHBondContact O-N 3.4Å; L17-I19 PolarHBondContact O-N 3.49Å; L17-Y20 PolarHBondContact O-N 3.22Å; L17-E21 PolarHBondContact O-N 3.02Å
18	L	44.1	Very low	44.3	Very low	100 Å²	100	99.8 Å²	99.8	52%	0.524	52%	0.519	S	S	.	.	H	α-helix	trans	-67.3	-33.8	176.5	-78.2	163.7	0	0	0	113	C14 T15 K22	C14-L18 WeakPolarHBondContact O-CB 3.2Å; C14-L18 WeakPolarHBondContact O-CG 3.09Å; C14-L18 PolarHBondContact O-N 2.7Å; T15-L18 PolarHBondContact O-N 3.11Å; L18-K22 WeakPolarHBondContact O-CB 3.38Å; L18-K22 WeakPolarHBondContact O-CG 3.39Å; L18-K22 PolarHBondContact O-N 2.55Å
19	I	48.7	Very low	44	Very low	92 Å²	92	96.8 Å²	96.8	47%	0.472	51%	0.506	S	S	.	.	H	α-helix	trans	-70	-39.3	173.3	-68.7	162.7	0	0	0	110	T15 L16 L17 K22 Q23	T15-I19 WeakPolarHBondContact O-CB 3.31Å; T15-I19 WeakPolarHBondContact O-CD1 3.07Å; T15-I19 WeakPolarHBondContact O-CG1 3.32Å; T15-I19 PolarHBondContact O-N 3.1Å; L16-I19 PolarHBondContact O-N 3.03Å; L17-I19 PolarHBondContact O-N 3.49Å; I19-K22 PolarHBondContact O-N 3.09Å; I19-Q23 WeakPolarHBondContact O-CB 3.49Å; I19-Q23 PolarHBondContact O-N 3.27Å
20	Y	44.1	Very low	43.1	Very low	144 Å²	144	95.8 Å²	95.8	57%	0.565	51%	0.507	S	S	*	.	H	α-helix	trans	-66.2	-43	176.6	-148.9	-96.4	0	0	0	111.4	L16 L17 Q23 L24	L16-Y20 WeakPolarHBondContact O-CB 3.44Å; L16-Y20 PolarHBondContact O-N 2.96Å; L17-Y20 PolarHBondContact O-N 3.22Å; Y20-Q23 PolarHBondContact O-N 3.21Å; Y20-L24 HydrophobicContact CD1-CD1 3.55Å; Y20-L24 HydrophobicContact CE1-CD1 3.56Å; Y20-L24 WeakPolarHBondContact O-CB 3.37Å; Y20-L24 WeakPolarHBondContact O-CD1 3.38Å; Y20-L24 PolarHBondContact O-N 3.17Å
21	E	46.8	Very low	42.8	Very low	129 Å²	129	95.7 Å²	95.7	60%	0.603	50%	0.498	S	S	*	.	H	α-helix	trans	-64.6	-41.2	173	-77.3	-167.5	163.4	0	0	111.9	L17 L24 F25	L17-E21 PolarHBondContact O-N 3.02Å; E21-L24 PolarHBondContact O-N 3.34Å; E21-F25 VanDerWaalsContact O-CB 3.31Å; E21-F25 WeakPolarHBondContact O-CB 3.36Å; E21-F25 PolarHBondContact O-N 3.17Å
22	K	42.4	Very low	42.8	Very low	148 Å²	148	96 Å²	96	64%	0.643	49%	0.493	S	S	*	.	H	α-helix	trans	-66.1	-38.8	174.8	-84.3	-173.8	175.4	-176.3	0	112.6	L18 I19 F25 L26	L18-K22 WeakPolarHBondContact O-CB 3.38Å; L18-K22 WeakPolarHBondContact O-CG 3.39Å; L18-K22 PolarHBondContact O-N 2.55Å; I19-K22 PolarHBondContact O-N 3.09Å; K22-F25 PolarHBondContact O-N 3Å; K22-L26 WeakPolarHBondContact O-CB 3.37Å; K22-L26 PolarHBondContact O-N 2.8Å
23	Q	44.7	Very low	42.7	Very low	128 Å²	128	97.1 Å²	97.1	60%	0.598	49%	0.494	S	S	*	.	H	α-helix	trans	-68.9	-37.7	174.4	-85.3	-174.7	-24.8	0	0	111.7	I19 Y20 S27	I19-Q23 WeakPolarHBondContact O-CB 3.49Å; I19-Q23 PolarHBondContact O-N 3.27Å; Y20-Q23 PolarHBondContact O-N 3.21Å; Q23-S27 WeakPolarHBondContact O-CB 3.35Å; Q23-S27 PolarHBondContact O-N 2.93Å
24	L	45	Very low	42.3	Very low	69 Å²	69	100.8 Å²	100.8	36%	0.361	50%	0.503	S	S	.	.	H	α-helix	trans	-60.1	-47.9	170.2	-109.4	101	0	0	0	110.4	Y20 E21 L26 S27 Y28	Y20-L24 HydrophobicContact CD1-CD1 3.55Å; Y20-L24 HydrophobicContact CE1-CD1 3.56Å; Y20-L24 WeakPolarHBondContact O-CB 3.37Å; Y20-L24 WeakPolarHBondContact O-CD1 3.38Å; Y20-L24 PolarHBondContact O-N 3.17Å; E21-L24 PolarHBondContact O-N 3.34Å; L24-L26 PolarHBondContact O-N 3.43Å; L24-S27 CarbonylContact O-C 3.47Å; L24-S27 PolarHBondContact O-N 2.86Å; L24-S27 VanDerWaalsContact O-N 3.12Å; L24-S27 PolarHBondContact O-OG 2.98Å; L24-Y28 HydrophobicContact CD2-CE2 4.29Å; L24-Y28 WeakPolarHBondContact O-CB 3.36Å; L24-Y28 WeakPolarHBondContact O-CD2 3.47Å; L24-Y28 PolarHBondContact O-N 3.17Å
25	F	39.2	Very low	42.1	Very low	145 Å²	145	105 Å²	105	64%	0.636	51%	0.513	S	S	*	.	H	α-helix	trans	-65.1	-38.7	-179.4	-160	-91.3	0	0	0	112.6	E21 K22 Y28 T29	E21-F25 VanDerWaalsContact O-CB 3.31Å; E21-F25 WeakPolarHBondContact O-CB 3.36Å; E21-F25 PolarHBondContact O-N 3.17Å; K22-F25 PolarHBondContact O-N 3Å; F25-Y28 PolarHBondContact O-N 3Å; F25-T29 HydrophobicContact CD1-CG2 3.98Å; F25-T29 HydrophobicContact CE1-CG2 3.76Å; F25-T29 HydrophobicContact CZ-CG2 4.48Å; F25-T29 WeakPolarHBondContact O-CB 3.11Å; F25-T29 WeakPolarHBondContact O-CG2 3.4Å; F25-T29 PolarHBondContact O-N 3.35Å; F25-T29 PolarHBondContact O-OG1 3.41Å
26	L	38.2	Very low	41.7	Very low	117 Å²	117	107 Å²	107	61%	0.613	52%	0.518	S	S	*	.	H	α-helix	trans	-66	-37.2	171.4	-86.4	153.8	0	0	0	111.9	K22 L24 T29 C30	K22-L26 WeakPolarHBondContact O-CB 3.37Å; K22-L26 PolarHBondContact O-N 2.8Å; L24-L26 PolarHBondContact O-N 3.43Å; L26-T29 WeakPolarHBondContact CA-OG1 2.99Å; L26-T29 PolarHBondContact O-OG1 2.97Å; L26-T29 VanDerWaalsContact O-OG1 3.13Å; L26-C30 VanDerWaalsContact O-CB 3.29Å; L26-C30 WeakPolarHBondContact O-CB 3.44Å; L26-C30 PolarHBondContact O-N 3.24Å
27	S	39.8	Very low	41.2	Very low	26 Å²	26	106.1 Å²	106.1	18%	0.182	51%	0.513	C	S	.	.	H	α-helix	trans	-70	-36.7	175.3	83.2	0	0	0	0	112.3	Q23 L24 Q31	Q23-S27 WeakPolarHBondContact O-CB 3.35Å; Q23-S27 PolarHBondContact O-N 2.93Å; L24-S27 CarbonylContact O-C 3.47Å; L24-S27 PolarHBondContact O-N 2.86Å; L24-S27 VanDerWaalsContact O-N 3.12Å; L24-S27 PolarHBondContact O-OG 2.98Å; S27-Q31 WeakPolarHBondContact O-CB 3Å; S27-Q31 WeakPolarHBondContact O-CG 3.4Å; S27-Q31 PolarHBondContact O-N 3.31Å
28	Y	40.3	Very low	40.6	Very low	107 Å²	107	104 Å²	104	42%	0.42	51%	0.507	S	S	.	.	H	α-helix	trans	-68.4	-45.6	175.7	-100.8	-91.2	0	0	0	111.7	L24 F25 C30 Q31 I32	L24-Y28 HydrophobicContact CD2-CE2 4.29Å; L24-Y28 WeakPolarHBondContact O-CB 3.36Å; L24-Y28 WeakPolarHBondContact O-CD2 3.47Å; L24-Y28 PolarHBondContact O-N 3.17Å; F25-Y28 PolarHBondContact O-N 3Å; Y28-C30 VanDerWaalsContact C-N 3.33Å; Y28-C30 PolarHBondContact O-N 3.41Å; Y28-Q31 PolarHBondContact O-N 2.85Å; Y28-I32 WeakPolarHBondContact O-CG1 3.46Å; Y28-I32 PolarHBondContact O-N 3.31Å
29	T	38.5	Very low	40.3	Very low	53 Å²	53	101.8 Å²	101.8	33%	0.325	50%	0.501	S	S	.	.	H	α-helix	trans	-65.7	-35.8	176.8	46	0	0	0	0	112.1	F25 L26 I32 N33	F25-T29 HydrophobicContact CD1-CG2 3.98Å; F25-T29 HydrophobicContact CE1-CG2 3.76Å; F25-T29 HydrophobicContact CZ-CG2 4.48Å; F25-T29 WeakPolarHBondContact O-CB 3.11Å; F25-T29 WeakPolarHBondContact O-CG2 3.4Å; F25-T29 PolarHBondContact O-N 3.35Å; F25-T29 PolarHBondContact O-OG1 3.41Å; L26-T29 WeakPolarHBondContact CA-OG1 2.99Å; L26-T29 PolarHBondContact O-OG1 2.97Å; L26-T29 VanDerWaalsContact O-OG1 3.13Å; T29-I32 PolarHBondContact O-N 2.86Å; T29-N33 PolarHBondContact O-N 2.99Å
30	C	35.9	Very low	39.6	Very low	75 Å²	75	102.1 Å²	102.1	51%	0.507	50%	0.503	S	S	.	.	H	α-helix	trans	-69.5	-32.2	173.7	-152.1	0	0	0	0	112.4	L26 Y28 F34	L26-C30 VanDerWaalsContact O-CB 3.29Å; L26-C30 WeakPolarHBondContact O-CB 3.44Å; L26-C30 PolarHBondContact O-N 3.24Å; Y28-C30 VanDerWaalsContact C-N 3.33Å; Y28-C30 PolarHBondContact O-N 3.41Å; C30-F34 PolarHBondContact O-N 3.41Å
31	Q	38.7	Very low	39	Very low	75 Å²	75	98.8 Å²	98.8	35%	0.35	50%	0.5	S	S	.	.	H	α-helix	trans	-71.2	-37	172.6	-82.6	-179	-38.5	0	0	113	S27 Y28 N33 F34 F35	S27-Q31 WeakPolarHBondContact O-CB 3Å; S27-Q31 WeakPolarHBondContact O-CG 3.4Å; S27-Q31 PolarHBondContact O-N 3.31Å; Y28-Q31 PolarHBondContact O-N 2.85Å; Q31-N33 VanDerWaalsContact C-N 3.34Å; Q31-F34 PolarHBondContact O-N 2.8Å; Q31-F35 PolarHBondContact O-N 2.88Å
32	I	42.3	Very low	38.4	Very low	93 Å²	93	95.6 Å²	95.6	48%	0.477	49%	0.492	S	S	.	.	H	α-helix	trans	-63.4	-41.6	175.5	-68.7	165	0	0	0	110.5	Y28 T29 F34 F35 Q36	Y28-I32 WeakPolarHBondContact O-CG1 3.46Å; Y28-I32 PolarHBondContact O-N 3.31Å; T29-I32 PolarHBondContact O-N 2.86Å; I32-F34 VanDerWaalsContact C-N 3.33Å; I32-F34 PolarHBondContact O-N 3.34Å; I32-F35 PolarHBondContact O-N 3.42Å; I32-Q36 WeakPolarHBondContact O-CG 3.42Å; I32-Q36 PolarHBondContact O-N 3Å
33	N	40.2	Very low	38	Very low	96 Å²	96	94.9 Å²	94.9	51%	0.513	49%	0.492	S	S	.	.	H	α-helix	trans	-65.3	-34.8	174.9	-78.1	-13.7	0	0	0	112.6	T29 Q31 L37	T29-N33 PolarHBondContact O-N 2.99Å; Q31-N33 VanDerWaalsContact C-N 3.34Å; N33-L37 WeakPolarHBondContact O-CB 3.39Å; N33-L37 WeakPolarHBondContact O-CD1 3.29Å; N33-L37 WeakPolarHBondContact O-CG 3.39Å; N33-L37 PolarHBondContact O-N 3.18Å
34	F	38.6	Very low	37.7	Very low	146 Å²	146	93.6 Å²	93.6	64%	0.64	49%	0.488	S	S	*	.	H	α-helix	trans	-72.1	-35.5	175.2	-104.1	-85.6	0	0	0	113.4	C30 Q31 I32 L37 S38	C30-F34 PolarHBondContact O-N 3.41Å; Q31-F34 PolarHBondContact O-N 2.8Å; I32-F34 VanDerWaalsContact C-N 3.33Å; I32-F34 PolarHBondContact O-N 3.34Å; F34-L37 PolarHBondContact O-N 3.05Å; F34-S38 PolarHBondContact O-N 3.01Å
35	F	37.2	Very low	37.3	Very low	158 Å²	158	93.5 Å²	93.5	69%	0.693	49%	0.488	S	S	*	.	H	α-helix	trans	-69.8	-36.5	174.3	-113.5	-85.2	0	0	0	112.3	Q31 I32 L37 S38 S39	Q31-F35 PolarHBondContact O-N 2.88Å; I32-F35 PolarHBondContact O-N 3.42Å; F35-L37 VanDerWaalsContact C-N 3.33Å; F35-S38 PolarHBondContact O-N 3.22Å; F35-S38 PolarHBondContact O-OG 3.21Å; F35-S38 VanDerWaalsContact O-OG 3.05Å; F35-S39 PolarHBondContact O-N 3.09Å; F35-S39 VanDerWaalsContact O-N 3.1Å
36	Q	36.4	Very low	37.2	Very low	115 Å²	115	91.9 Å²	91.9	54%	0.537	49%	0.486	S	S	.	.	H	α-helix	trans	-68.6	-32.3	172	-74	-171.3	-27.4	0	0	112.2	I32 S39 L40	I32-Q36 WeakPolarHBondContact O-CG 3.42Å; I32-Q36 PolarHBondContact O-N 3Å; Q36-S39 PolarHBondContact O-OG 2.04Å; Q36-S39 VanDerWaalsContact O-OG 3.11Å; Q36-L40 WeakPolarHBondContact O-CB 3.22Å; Q36-L40 WeakPolarHBondContact O-CD1 3.46Å; Q36-L40 PolarHBondContact O-N 3.16Å
37	L	37.1	Very low	37.1	Very low	98 Å²	98	92 Å²	92	51%	0.513	49%	0.488	S	S	.	.	H	α-helix	trans	-70.2	-36.7	172.9	-84.8	157.6	0	0	0	112.7	N33 F34 F35 L40 C41	N33-L37 WeakPolarHBondContact O-CB 3.39Å; N33-L37 WeakPolarHBondContact O-CD1 3.29Å; N33-L37 WeakPolarHBondContact O-CG 3.39Å; N33-L37 PolarHBondContact O-N 3.18Å; F34-L37 PolarHBondContact O-N 3.05Å; F35-L37 VanDerWaalsContact C-N 3.33Å; L37-L40 PolarHBondContact O-N 3.26Å; L37-C41 WeakPolarHBondContact O-CB 3.25Å; L37-C41 PolarHBondContact O-N 3.16Å; L37-C41 PolarHBondContact O-SG 3.26Å
38	S	35.3	Very low	36.9	Very low	69 Å²	69	97.5 Å²	97.5	48%	0.483	51%	0.51	S	S	.	.	H	α-helix	trans	-70.1	-35.1	175.7	75.6	0	0	0	0	112.2	F34 F35 C41 S42	F34-S38 PolarHBondContact O-N 3.01Å; F35-S38 PolarHBondContact O-N 3.22Å; F35-S38 PolarHBondContact O-OG 3.21Å; F35-S38 VanDerWaalsContact O-OG 3.05Å; S38-C41 PolarHBondContact O-N 3.32Å; S38-S42 PolarHBondContact O-N 2.82Å; S38-S42 VanDerWaalsContact O-N 3.12Å
39	S	35.9	Very low	36.7	Very low	55 Å²	55	100.5 Å²	100.5	39%	0.385	53%	0.528	S	S	.	.	H	α-helix	trans	-71.4	-34.6	171.7	77.8	0	0	0	0	112.6	F35 Q36 S42 M43	F35-S39 PolarHBondContact O-N 3.09Å; F35-S39 VanDerWaalsContact O-N 3.1Å; Q36-S39 PolarHBondContact O-OG 2.04Å; Q36-S39 VanDerWaalsContact O-OG 3.11Å; S39-S42 PolarHBondContact O-N 3.21Å; S39-S42 PolarHBondContact O-OG 3.44Å; S39-S42 VanDerWaalsContact O-OG 3.05Å; S39-M43 WeakPolarHBondContact O-CG 3.42Å; S39-M43 PolarHBondContact O-N 2.73Å
40	L	33.9	Very low	36.5	Very low	98 Å²	98	106.7 Å²	106.7	51%	0.513	55%	0.551	S	S	.	*	H	α-helix	trans	-65.9	-40.7	171.7	-110.2	94.4	0	0	0	111.6	Q36 L37 S42 M43 I44	Q36-L40 WeakPolarHBondContact O-CB 3.22Å; Q36-L40 WeakPolarHBondContact O-CD1 3.46Å; Q36-L40 PolarHBondContact O-N 3.16Å; L37-L40 PolarHBondContact O-N 3.26Å; L40-S42 VanDerWaalsContact C-N 3.29Å; L40-S42 PolarHBondContact O-N 2.9Å; L40-M43 PolarHBondContact O-N 3.37Å; L40-I44 HydrophobicContact CD2-CD1 4.5Å; L40-I44 WeakPolarHBondContact O-CB 3.46Å; L40-I44 VanDerWaalsContact O-CG1 3.25Å; L40-I44 WeakPolarHBondContact O-CG1 3.45Å; L40-I44 PolarHBondContact O-N 2.94Å
41	C	31.9	Very low	36.3	Very low	74 Å²	74	110.4 Å²	110.4	50%	0.5	57%	0.565	S	S	.	*	H	α-helix	trans	-66.5	-27.2	176.7	-80.2	0	0	0	0	113.3	L37 S38 N45	L37-C41 WeakPolarHBondContact O-CB 3.25Å; L37-C41 PolarHBondContact O-N 3.16Å; L37-C41 PolarHBondContact O-SG 3.26Å; S38-C41 PolarHBondContact O-N 3.32Å; C41-N45 PolarHBondContact O-N 3.35Å; C41-N45 PolarHBondContact O-ND2 3.07Å; C41-N45 VanDerWaalsContact O-ND2 3.08Å
42	S	35.4	Very low	35.9	Very low	62 Å²	62	115.6 Å²	115.6	43%	0.434	59%	0.589	S	S	.	*	H	α-helix	trans	-78.6	-35.5	171.3	79.1	0	0	0	0	112.3	S38 S39 L40 N46	S38-S42 PolarHBondContact O-N 2.82Å; S38-S42 VanDerWaalsContact O-N 3.12Å; S39-S42 PolarHBondContact O-N 3.21Å; S39-S42 PolarHBondContact O-OG 3.44Å; S39-S42 VanDerWaalsContact O-OG 3.05Å; L40-S42 VanDerWaalsContact C-N 3.29Å; L40-S42 PolarHBondContact O-N 2.9Å; S42-N46 PolarHBondContact O-N 3.06Å
43	M	33.7	Very low	35.3	Very low	134 Å²	134	119.1 Å²	119.1	66%	0.66	61%	0.609	S	S	*	*	H	α-helix	trans	-71.3	-34.8	175.1	-71.6	-164.1	108.1	0	0	113.3	S39 L40 N46 N47	S39-M43 WeakPolarHBondContact O-CG 3.42Å; S39-M43 PolarHBondContact O-N 2.73Å; L40-M43 PolarHBondContact O-N 3.37Å; M43-N46 PolarHBondContact O-N 3.46Å; M43-N47 PolarHBondContact O-N 3.19Å
44	I	37.8	Very low	34.8	Very low	100 Å²	100	119.2 Å²	119.2	51%	0.513	62%	0.617	S	S	.	*	H	α-helix	trans	-68.5	-39	175	-67.3	165.9	0	0	0	110.5	L40 N46 N47	L40-I44 HydrophobicContact CD2-CD1 4.5Å; L40-I44 WeakPolarHBondContact O-CB 3.46Å; L40-I44 VanDerWaalsContact O-CG1 3.25Å; L40-I44 WeakPolarHBondContact O-CG1 3.45Å; L40-I44 PolarHBondContact O-N 2.94Å; I44-N46 VanDerWaalsContact C-N 3.33Å; I44-N46 PolarHBondContact O-N 3.12Å; I44-N47 PolarHBondContact O-N 2.96Å
45	N	37.3	Very low	34.4	Very low	68 Å²	68	120 Å²	120	36%	0.364	63%	0.626	S	S	.	*	H	α-helix	trans	-66.7	-29.4	174.8	-94.4	-62.2	0	0	0	113.8	C41 K429	C41-N45 PolarHBondContact O-N 3.35Å; C41-N45 PolarHBondContact O-ND2 3.07Å; C41-N45 VanDerWaalsContact O-ND2 3.08Å; N45-K429 PolarHBondContact OD1-NZ 3.4Å
46	N	37	Very low	33.9	Very low	110 Å²	110	120.3 Å²	120.3	59%	0.588	64%	0.635	S	S	*	*	H	α-helix	trans	-81.2	-13.5	178.5	-80.2	-10.5	0	0	0	113.6	S42 M43 I44	S42-N46 PolarHBondContact O-N 3.06Å; M43-N46 PolarHBondContact O-N 3.46Å; I44-N46 VanDerWaalsContact C-N 3.33Å; I44-N46 PolarHBondContact O-N 3.12Å
47	N	36.3	Very low	33.7	Very low	121 Å²	121	120.8 Å²	120.8	65%	0.647	65%	0.646	S	S	*	*	H	α-helix	trans	-91.6	-14	175.5	-83.4	-15.2	0	0	0	113.8	M43 I44	M43-N47 PolarHBondContact O-N 3.19Å; I44-N47 PolarHBondContact O-N 2.96Å
48	E	36	Very low	33.4	Very low	140 Å²	140	124 Å²	124	65%	0.654	66%	0.658	S	S	*	*	G	3₁₀ helix	trans	-79.4	-15.4	172.9	-77.8	-177.8	157.8	0	0	113.2	K50	E48-K50 PolarHBondContact O-N 3.21Å
49	Q	36.1	Very low	33.2	Very low	170 Å²	170	128.7 Å²	128.7	79%	0.794	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-90.1	10.8	178	-94.6	175.1	-29	0	0	115.1
50	K	34.2	Very low	32.9	Very low	183 Å²	183	134.6 Å²	134.6	80%	0.796	70%	0.698	S	S	*	*	G	3₁₀ helix	trans	-120.4	15.9	177.5	-92.3	-174.2	175.3	-179	0	114.4	E48	E48-K50 PolarHBondContact O-N 3.21Å
51	L	30.7	Very low	32.6	Very low	153 Å²	153	139.4 Å²	139.4	80%	0.801	72%	0.718	S	S	*	*	S	Bend	trans	-121.1	10.1	-177.1	-124.2	92.1	0	0	0	115.9
52	E	31.3	Very low	32.4	Very low	184 Å²	184	139.1 Å²	139.1	86%	0.86	73%	0.728	S	S	*	*			trans	-111	5.2	-178.9	-76.1	-174	158.2	0	0	115.5	S54	E52-S54 PolarHBondContact O-N 3.38Å
53	D	29.6	Very low	32.1	Very low	168 Å²	168	143 Å²	143	90%	0.898	75%	0.749	S	S	*	*	S	Bend	trans	-98.8	67.9	173.5	-73.9	-26.2	0	0	0	111.8
54	S	28.3	Very low	31.8	Very low	98 Å²	98	145.8 Å²	145.8	69%	0.685	76%	0.76	S	S	*	*			trans	-179.6	104.6	153.8	56.5	0	0	0	0	109.2	E52	E52-S54 PolarHBondContact O-N 3.38Å
55	I	31.7	Very low	31.3	Very low	162 Å²	162	150 Å²	150	83%	0.831	78%	0.775	S	S	*	*			trans	-176.9	105.5	144.7	-87.4	143.9	0	0	0	106.5	V57	I55-V57 HydrophobicContact CG2-CG2 3.81Å
56	D	27.1	Very low	30.7	Very low	164 Å²	164	156 Å²	156	88%	0.877	80%	0.801	S	S	*	*			trans	-69.8	126.7	164.5	-77.5	-48.6	0	0	0	109.6
57	V	32.3	Very low	30.3	Very low	126 Å²	126	157.9 Å²	157.9	76%	0.764	81%	0.81	S	S	*	*			trans	-140.2	92.6	158.2	-173.7	0	0	0	0	109	I55	I55-V57 HydrophobicContact CG2-CG2 3.81Å
58	E	29.4	Very low	29.9	Very low	166 Å²	166	156.5 Å²	156.5	78%	0.776	81%	0.809	S	S	*	*			trans	-73.1	158.4	158.1	-75.8	-171	147.5	0	0	110.9
59	H	30.7	Very low	29.5	Very low	166 Å²	166	159.9 Å²	159.9	77%	0.769	82%	0.822	S	S	*	*			trans	84	95.6	169.9	-73.8	47	0	0	0	117.7
60	L	31.3	Very low	29.2	Very low	180 Å²	180	160.5 Å²	160.5	94%	0.942	82%	0.822	S	S	*	*				-170.3	107.4	111.2	-95.4	153.1	0	0	0	110.2
61	Q	27.2	Very low	28.9	Very low	199 Å²	199	162.7 Å²	162.7	93%	0.93	83%	0.825	S	S	*	*			trans	-70.7	146.8	167.1	-71.3	172.8	-28.9	0	0	110.6
62	G	28	Very low	29	Very low	68 Å²	68	164.8 Å²	164.8	70%	0.701	83%	0.828	S	S	*	*			trans	130.7	83.2	151.5	0	0	0	0	0	115.5
63	T	29.3	Very low	29.4	Very low	142 Å²	142	164.6 Å²	164.6	87%	0.871	83%	0.825	S	S	*	*				175.2	111.8	124.6	29.3	0	0	0	0	109.4	F65	T63-F65 PolarHBondContact O-N 3.45Å
64	Q	26	Very low	30.3	Very low	194 Å²	194	161 Å²	161	91%	0.907	80%	0.801	S	S	*	*			trans	-69.1	122.1	172.9	-80.8	172.4	-33.9	0	0	110.1
65	F	27.4	Very low	32.1	Very low	187 Å²	187	161.9 Å²	161.9	82%	0.82	79%	0.792	S	S	*	*			trans	-128.4	105.4	153.6	-108.4	-87.6	0	0	0	108.9	T63 I67	T63-F65 PolarHBondContact O-N 3.45Å; F65-I67 PolarHBondContact O-N 3.33Å
66	Q	24.2	Very low	34.2	Very low	196 Å²	196	158.2 Å²	158.2	92%	0.916	77%	0.774	S	S	*	*			trans	-65.1	106.3	166.8	-85.4	177.2	-35	0	0	109
67	I	29.5	Very low	37	Very low	149 Å²	149	152.3 Å²	152.3	76%	0.764	74%	0.742	S	S	*	*			trans	-108.4	116.9	163.7	-62.8	177.2	0	0	0	108	F65	F65-I67 PolarHBondContact O-N 3.33Å
68	S	28.4	Very low	39.8	Very low	92 Å²	92	148.7 Å²	148.7	64%	0.643	72%	0.72	S	S	*	*			trans	-49.4	129	-177.5	59.1	0	0	0	0	113.8	K70	S68-K70 PolarHBondContact O-N 2.88Å
69	K	27.2	Very low	42.9	Very low	211 Å²	211	141 Å²	141	92%	0.917	68%	0.684	S	S	*	*			trans	-61.9	89.7	163.2	-77.6	177.2	174.2	176.7	0	110.5
70	K	29.3	Very low	46.1	Very low	182 Å²	182	134 Å²	134	79%	0.791	65%	0.653	S	S	*	*			trans	-100	99.7	168.2	-112	-179.6	178.7	176.6	0	109.7	S68 F72	S68-K70 PolarHBondContact O-N 2.88Å; K70-F72 PolarHBondContact O-N 2.99Å
71	W	29.2	Very low	49.3	Very low	230 Å²	230	125.5 Å²	125.5	87%	0.871	61%	0.608	S	S	*	*			trans	-3.1	104.8	161.7	-65.3	65.3	0	0	0	117.6	K73	W71-K73 PolarHBondContact O-N 2.93Å
72	F	32.8	Very low	52.7	Low	197 Å²	197	116 Å²	116	86%	0.864	56%	0.564	S	S	*	*			trans	-80.3	92.2	158	-78.5	-84.3	0	0	0	109.4	K70 K74	K70-F72 PolarHBondContact O-N 2.99Å; F72-K74 PolarHBondContact O-N 2.94Å; F72-K74 VanDerWaalsContact O-N 3.16Å
73	K	39.1	Very low	56	Low	180 Å²	180	112.8 Å²	112.8	78%	0.783	53%	0.53	S	S	*	.			trans	-68.4	105.9	165.4	-92.2	-177.3	174.1	179.5	0	108.4	W71 K75	W71-K73 PolarHBondContact O-N 2.93Å; K73-K75 PolarHBondContact O-N 2.82Å
74	K	48.5	Very low	59.2	Low	93 Å²	93	107.2 Å²	107.2	40%	0.404	50%	0.496	S	S	.	.			trans	-55	120.1	168.3	-73.4	-178.4	175.9	-179.9	0	108.7	F72 I76 I146	F72-K74 PolarHBondContact O-N 2.94Å; F72-K74 VanDerWaalsContact O-N 3.16Å; K74-I76 PolarHBondContact O-N 2.66Å; K74-I146 HydrophobicContact CD-CD1 3.99Å
75	K	65.7	Low	62.5	Low	115 Å²	115	98 Å²	98	50%	0.5	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	112.1	172.7	-77.2	172.7	-175.6	160.8	0	108	K73 E143 Y145	K73-K75 PolarHBondContact O-N 2.82Å; K75-E143 IonicContact NZ-OE1 2.81Å; K75-E143 IonicContact NZ-OE2 2.81Å; K75-E143 PolarHBondContact NZ-OE2 3.22Å; K75-Y145 HydrophobicContact CB-CD1 3.65Å; K75-Y145 HydrophobicContact CB-CE1 3.73Å; K75-Y145 HydrophobicContact CD-CE1 3.83Å; K75-Y145 HydrophobicContact CG-CE1 4.44Å; K75-Y145 WeakPolarHBondContact O-CD1 3.3Å
76	I	74.8	Confident	65.5	Low	85 Å²	85	90 Å²	90	44%	0.436	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	124	168.2	-59.8	175.1	0	0	0	106.6	K74 I146 H148 F442	K74-I76 PolarHBondContact O-N 2.66Å; I76-I146 WeakPolarHBondContact CA-O 3.36Å; I76-I146 HydrophobicContact CG1-CB 4.32Å; I76-H148 HydrophobicContact CG2-CB 3.97Å; I76-F442 HydrophobicContact CD1-CE2 4.44Å
77	I	85.9	Confident	68.7	Low	41 Å²	41	81.6 Å²	81.6	21%	0.21	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	114.7	171.6	-58.2	176.1	0	0	0	107.5	Y145 I146 H148 L233	I77-Y145 HydrophobicContact CD1-CD1 3.48Å; I77-Y145 VanDerWaalsContact CD1-CD1 3.48Å; I77-Y145 HydrophobicContact CD1-CE1 3.93Å; I77-Y145 HydrophobicContact CD1-CG 3.83Å; I77-Y145 HydrophobicContact CG1-CD1 3.85Å; I77-Y145 HydrophobicContact CG1-CE1 4.5Å; I77-Y145 HydrophobicContact CG1-CG 4.4Å; I77-I146 PolarHBondContact N-O 3.16Å; I77-H148 PolarHBondContact O-N 3.39Å; I77-L233 HydrophobicContact CD1-CD1 4.14Å; I77-L233 HydrophobicContact CD1-CD2 4.38Å; I77-L233 HydrophobicContact CG2-CD1 3.72Å
78	T	92	Very high	71.6	Confident	49 Å²	49	74.9 Å²	74.9	30%	0.301	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	130.9	174.5	-56.2	0	0	0	0	109.8	H148 N150	T78-H148 CarbonylContact C-O 3.59Å; T78-H148 VanDerWaalsContact CA-O 3.29Å; T78-H148 WeakPolarHBondContact CA-O 3.42Å; T78-N150 HydrophobicContact CG2-CB 4.43Å; T78-N150 VanDerWaalsContact CG2-ND2 3.25Å; T78-N150 WeakPolarHBondContact CG2-ND2 3.43Å
79	I	95	Very high	74.6	Confident	4 Å²	4	73.7 Å²	73.7	2%	0.021	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	117.3	173.5	-59	175.6	0	0	0	106.8	I81 H148 I149 N150 I220 L233 W236	I79-I81 HydrophobicContact CG2-CG1 4.07Å; I79-H148 PolarHBondContact N-O 2.86Å; I79-I149 WeakPolarHBondContact O-CA 3.29Å; I79-N150 PolarHBondContact O-N 2.72Å; I79-I220 HydrophobicContact CG2-CD1 4.09Å; I79-L233 HydrophobicContact CD1-CB 4.07Å; I79-L233 HydrophobicContact CD1-CD1 4.31Å; I79-W236 HydrophobicContact CB-CD2 4.43Å; I79-W236 HydrophobicContact CB-CE3 4.33Å; I79-W236 HydrophobicContact CD1-CB 4.49Å; I79-W236 HydrophobicContact CG1-CB 4.35Å; I79-W236 HydrophobicContact CG1-CD2 4.28Å; I79-W236 HydrophobicContact CG1-CG 4.15Å; I79-W236 HydrophobicContact CG2-CD2 4.13Å; I79-W236 HydrophobicContact CG2-CE3 3.66Å; I79-W236 HydrophobicContact CG2-CZ3 4.17Å
80	D	98	Very high	77.7	Confident	21 Å²	21	64.7 Å²	64.7	11%	0.112	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	123	175.5	-58.6	-85.1	0	0	0	109.5	N150 H152 V216 K218 V219 I220 W236	D80-N150 WeakPolarHBondContact CA-O 3.4Å; D80-N150 WeakPolarHBondContact OD1-CB 3.02Å; D80-N150 PolarHBondContact OD1-ND2 2.84Å; D80-H152 IonicContact OD1-NE2 3.64Å; D80-H152 PolarHBondContact OD1-NE2 3.42Å; D80-V216 HydrophobicContact CB-CG1 4.26Å; D80-K218 WeakPolarHBondContact CB-O 3.44Å; D80-V219 HydrophobicContact CB-CG2 4.29Å; D80-V219 WeakPolarHBondContact O-CA 3.32Å; D80-V219 WeakPolarHBondContact O-CG2 3.46Å; D80-I220 PolarHBondContact O-N 3.12Å; D80-W236 HydrophobicContact CB-CH2 4.02Å; D80-W236 HydrophobicContact CB-CZ3 4.28Å; D80-W236 WeakPolarHBondContact O-CZ3 3.44Å
81	I	98.2	Very high	80.8	Confident	1 Å²	1	56 Å²	56	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	132.6	179.1	-57.8	177.1	0	0	0	107.7	I79 L83 I101 I149 N150 L151 H152 I220 L222 L232	I79-I81 HydrophobicContact CG2-CG1 4.07Å; I81-L83 HydrophobicContact CG2-CD1 3.79Å; I81-I101 HydrophobicContact CD1-CD1 4.42Å; I81-I149 HydrophobicContact CD1-CG2 3.81Å; I81-I149 HydrophobicContact CG1-CG2 4.32Å; I81-N150 PolarHBondContact N-O 3.42Å; I81-L151 HydrophobicContact CB-CD1 4.21Å; I81-L151 HydrophobicContact CG2-CD1 4.06Å; I81-L151 CarbonylContact O-C 3.6Å; I81-L151 WeakPolarHBondContact O-CA 3.03Å; I81-H152 PolarHBondContact O-N 3.33Å; I81-I220 CarbonylContact C-O 3.54Å; I81-I220 VanDerWaalsContact CA-O 3.28Å; I81-I220 WeakPolarHBondContact CA-O 3.46Å; I81-L222 HydrophobicContact CG2-CD1 3.8Å; I81-L222 HydrophobicContact CG2-CG 4.21Å; I81-L232 HydrophobicContact CD1-CD1 3.54Å
82	S	98.4	Very high	83.9	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	145.5	172.2	64.9	0	0	0	0	112.6	H152 V219 I220 N221 L222	S82-H152 VanDerWaalsContact CA-O 3.23Å; S82-H152 WeakPolarHBondContact CA-O 3.01Å; S82-V219 WeakPolarHBondContact OG-CG2 3.36Å; S82-I220 PolarHBondContact N-O 2.89Å; S82-N221 WeakPolarHBondContact O-CA 3.41Å; S82-N221 PolarHBondContact O-ND2 2.83Å; S82-N221 PolarHBondContact OG-ND2 2.9Å; S82-L222 PolarHBondContact O-N 3.4Å
83	L	97.7	Very high	86.9	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	148.4	170.6	-65	99	0	0	0	110.7	I81 I85 L94 L97 L151 H152 L153 I154 L222	I81-L83 HydrophobicContact CG2-CD1 3.79Å; L83-I85 HydrophobicContact CB-CD1 3.96Å; L83-I85 HydrophobicContact CB-CG1 3.97Å; L83-I85 HydrophobicContact CD2-CD1 4.21Å; L83-L94 HydrophobicContact CD1-CD1 4.08Å; L83-L94 HydrophobicContact CD2-CD1 3.98Å; L83-L97 HydrophobicContact CD2-CD2 3.59Å; L83-L151 HydrophobicContact CD1-CD1 3.49Å; L83-L151 VanDerWaalsContact CD1-CD1 3.49Å; L83-H152 PolarHBondContact N-O 2.58Å; L83-L153 HydrophobicContact CB-CD2 4.2Å; L83-L153 HydrophobicContact CD1-CD2 4.33Å; L83-I154 PolarHBondContact O-N 2.53Å; L83-L222 HydrophobicContact CD2-CB 4.14Å; L83-L222 WeakPolarHBondContact CD2-O 3.37Å; L83-L222 HydrophobicContact CG-CB 4.2Å; L83-L222 WeakPolarHBondContact CG-O 3.45Å
84	V	96.5	Very high	89.6	Confident	24 Å²	24	28.1 Å²	28.1	15%	0.145	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	121.1	166.1	-177.5	0	0	0	0	108.1	I154 L182 F201 K205	V84-I154 CarbonylContact C-O 3.37Å; V84-I154 WeakPolarHBondContact CA-O 3.39Å; V84-I154 HydrophobicContact CG2-CB 4.24Å; V84-I154 HydrophobicContact CG2-CD1 4.32Å; V84-L182 HydrophobicContact CG1-CD2 4.27Å; V84-F201 HydrophobicContact CG1-CB 4.34Å; V84-F201 HydrophobicContact CG1-CD1 4.32Å; V84-K205 HydrophobicContact CG2-CG 3.99Å
85	I	95	Very high	91.8	Very high	1 Å²	1	24 Å²	24	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	121.1	-173.1	-56.8	-67	0	0	0	110.6	L83 A90 L94 L153 I154 S155 D156 A159 L163 V224	L83-I85 HydrophobicContact CB-CD1 3.96Å; L83-I85 HydrophobicContact CB-CG1 3.97Å; L83-I85 HydrophobicContact CD2-CD1 4.21Å; I85-A90 HydrophobicContact CG2-CB 3.81Å; I85-L94 HydrophobicContact CD1-CB 4.28Å; I85-L94 HydrophobicContact CG1-CD2 4.33Å; I85-L153 HydrophobicContact CG1-CD2 4.19Å; I85-I154 PolarHBondContact N-O 3.49Å; I85-S155 VanDerWaalsContact O-CA 3.26Å; I85-S155 WeakPolarHBondContact O-CA 3.42Å; I85-D156 PolarHBondContact O-N 2.04Å; I85-A159 HydrophobicContact CG2-CB 3.83Å; I85-L163 HydrophobicContact CG2-CD1 3.95Å; I85-V224 HydrophobicContact CD1-CB 4.12Å; I85-V224 HydrophobicContact CD1-CG2 3.99Å
86	G	90.6	Very high	93.2	Very high	20 Å²	20	18.7 Å²	18.7	21%	0.206	11%	0.113	C	C	.	.			trans	-124.2	127.9	177	0	0	0	0	0	112.4	A90	G86-A90 VanDerWaalsContact O-CB 3.3Å; G86-A90 WeakPolarHBondContact O-CB 3.47Å
87	G	90	Very high	94.3	Very high	19 Å²	19	14.7 Å²	14.7	20%	0.196	9%	0.092	C	C	.	.	H	α-helix	trans	72.1	173.2	174.8	0	0	0	0	0	116.8	Q89 A91 D156	G87-Q89 PolarHBondContact O-N 3.27Å; G87-A91 PolarHBondContact O-N 3.08Å; G87-D156 PolarHBondContact N-OD1 3.13Å; G87-D156 PolarHBondContact N-OD2 2.78Å
88	A	91.1	Very high	94.7	Very high	7 Å²	7	12.8 Å²	12.8	6%	0.058	8%	0.083	C	C	.	.	H	α-helix	trans	-62.1	-38	-173.6	0	0	0	0	0	114.1	A91 R92 H158	A88-A91 WeakPolarHBondContact O-CB 3.4Å; A88-A91 PolarHBondContact O-N 3.24Å; A88-R92 PolarHBondContact O-N 3.16Å; A88-H158 VanDerWaalsContact CB-CE1 3.5Å; A88-H158 WeakPolarHBondContact CB-CE1 3.34Å
89	Q	91.4	Very high	94.8	Very high	68 Å²	68	10.6 Å²	10.6	32%	0.318	7%	0.069	S	C	.	.	H	α-helix	trans	-67.6	-45.8	-176.3	-178.7	172.5	9.8	0	0	111.9	G87 A91 R92 G93 D388 M389	G87-Q89 PolarHBondContact O-N 3.27Å; Q89-A91 VanDerWaalsContact C-N 3.28Å; Q89-A91 PolarHBondContact O-N 3.37Å; Q89-R92 PolarHBondContact O-N 2.79Å; Q89-G93 PolarHBondContact O-N 2.67Å; Q89-D388 PolarHBondContact NE2-OD1 3.33Å; Q89-M389 PolarHBondContact NE2-SD 2.68Å
90	A	92.3	Very high	94.8	Very high	21 Å²	21	10.4 Å²	10.4	17%	0.174	7%	0.068	C	C	.	.	H	α-helix	trans	-64.1	-36.6	174.5	0	0	0	0	0	111	I85 G86 R92 G93 L94 V224	I85-A90 HydrophobicContact CG2-CB 3.81Å; G86-A90 VanDerWaalsContact O-CB 3.3Å; G86-A90 WeakPolarHBondContact O-CB 3.47Å; A90-R92 VanDerWaalsContact C-N 3.35Å; A90-R92 PolarHBondContact O-N 2.8Å; A90-G93 PolarHBondContact O-N 2.87Å; A90-L94 WeakPolarHBondContact O-CB 3.42Å; A90-L94 PolarHBondContact O-N 3.16Å; A90-V224 WeakPolarHBondContact O-CG2 3.42Å
91	A	94.3	Very high	94.6	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-58.7	-42.6	173.6	0	0	0	0	0	112.5	G87 A88 Q89 L94 V95 L163	G87-A91 PolarHBondContact O-N 3.08Å; A88-A91 WeakPolarHBondContact O-CB 3.4Å; A88-A91 PolarHBondContact O-N 3.24Å; Q89-A91 VanDerWaalsContact C-N 3.28Å; Q89-A91 PolarHBondContact O-N 3.37Å; A91-L94 PolarHBondContact O-N 3.28Å; A91-V95 WeakPolarHBondContact O-CG2 3.35Å; A91-V95 PolarHBondContact O-N 2.94Å; A91-L163 HydrophobicContact CB-CD1 4.14Å; A91-L163 HydrophobicContact CB-CD2 3.87Å; A91-L163 HydrophobicContact CB-CG 3.94Å
92	R	94.5	Very high	94.2	Very high	15 Å²	15	10.4 Å²	10.4	6%	0.057	7%	0.068	C	C	.	.	H	α-helix	trans	-66.3	-42.7	173.9	-66.2	-169.1	-54.2	-84.8	-1.2	112.9	A88 Q89 A90 L94 V95 T96 D388 Y477	A88-R92 PolarHBondContact O-N 3.16Å; Q89-R92 PolarHBondContact O-N 2.79Å; A90-R92 VanDerWaalsContact C-N 3.35Å; A90-R92 PolarHBondContact O-N 2.8Å; R92-L94 VanDerWaalsContact C-N 3.28Å; R92-L94 PolarHBondContact O-N 3.18Å; R92-V95 PolarHBondContact O-N 3.44Å; R92-T96 PolarHBondContact O-N 3.09Å; R92-T96 PolarHBondContact O-OG1 3.3Å; R92-D388 IonicContact CZ-OD2 3.57Å; R92-D388 IonicContact NE-OD2 3.48Å; R92-D388 IonicContact NH2-OD2 3.23Å; R92-D388 PolarHBondContact NH2-OD2 3.06Å; R92-Y477 VanDerWaalsContact CD-CZ 3.44Å; R92-Y477 WeakPolarHBondContact CD-O 3.41Å; R92-Y477 HydrophobicContact CG-CD2 4.12Å; R92-Y477 HydrophobicContact CG-CE1 4.44Å; R92-Y477 HydrophobicContact CG-CE2 3.79Å; R92-Y477 PolarHBondContact NH1-O 3.25Å
93	G	95.1	Very high	93.6	Very high	6 Å²	6	13.4 Å²	13.4	6%	0.062	8%	0.084	C	C	.	.	H	α-helix	trans	-58.1	-41.9	175.8	0	0	0	0	0	112	Q89 A90 V95 T96 L97 V224	Q89-G93 PolarHBondContact O-N 2.67Å; A90-G93 PolarHBondContact O-N 2.87Å; G93-V95 VanDerWaalsContact C-N 3.32Å; G93-V95 PolarHBondContact O-N 3.13Å; G93-T96 WeakPolarHBondContact O-CB 3.43Å; G93-T96 PolarHBondContact O-N 3.09Å; G93-T96 VanDerWaalsContact O-N 3.08Å; G93-L97 PolarHBondContact O-N 3.38Å; G93-V224 VanDerWaalsContact C-CG2 3.43Å
94	L	96.5	Very high	92.9	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-58.8	-41.8	177.3	175.1	66.5	0	0	0	111.7	L83 I85 A90 A91 R92 T96 L97 I98 L153 L163 F167 V224	L83-L94 HydrophobicContact CD1-CD1 4.08Å; L83-L94 HydrophobicContact CD2-CD1 3.98Å; I85-L94 HydrophobicContact CD1-CB 4.28Å; I85-L94 HydrophobicContact CG1-CD2 4.33Å; A90-L94 WeakPolarHBondContact O-CB 3.42Å; A90-L94 PolarHBondContact O-N 3.16Å; A91-L94 PolarHBondContact O-N 3.28Å; R92-L94 VanDerWaalsContact C-N 3.28Å; R92-L94 PolarHBondContact O-N 3.18Å; L94-T96 VanDerWaalsContact C-N 3.27Å; L94-T96 PolarHBondContact O-N 3.02Å; L94-L97 PolarHBondContact O-N 3Å; L94-I98 HydrophobicContact CD1-CD1 4.13Å; L94-I98 HydrophobicContact CD1-CG1 3.91Å; L94-I98 HydrophobicContact CG-CG1 4.2Å; L94-I98 WeakPolarHBondContact O-CG1 3.45Å; L94-I98 PolarHBondContact O-N 3.01Å; L94-L153 HydrophobicContact CD1-CD2 4.43Å; L94-L153 HydrophobicContact CD2-CD1 3.95Å; L94-L153 HydrophobicContact CD2-CD2 3.79Å; L94-L163 HydrophobicContact CD2-CD1 3.62Å; L94-L163 HydrophobicContact CD2-CD2 4.02Å; L94-L163 HydrophobicContact CD2-CG 4.45Å; L94-F167 HydrophobicContact CD2-CE2 3.93Å; L94-F167 HydrophobicContact CD2-CZ 4.13Å; L94-F167 HydrophobicContact CG-CZ 4.45Å; L94-V224 HydrophobicContact CB-CG2 4.13Å
95	V	95.5	Very high	91.6	Very high	7 Å²	7	15 Å²	15	4%	0.042	9%	0.089	C	C	.	.	H	α-helix	trans	-59.1	-42.7	177	-179.4	0	0	0	0	111.1	A91 R92 G93 I98 K99 L166 W170	A91-V95 WeakPolarHBondContact O-CG2 3.35Å; A91-V95 PolarHBondContact O-N 2.94Å; R92-V95 PolarHBondContact O-N 3.44Å; G93-V95 VanDerWaalsContact C-N 3.32Å; G93-V95 PolarHBondContact O-N 3.13Å; V95-I98 PolarHBondContact O-N 2.88Å; V95-K99 HydrophobicContact CG1-CD 4.44Å; V95-K99 WeakPolarHBondContact O-CG 3.43Å; V95-K99 PolarHBondContact O-N 3.36Å; V95-L166 HydrophobicContact CG2-CD2 3.37Å; V95-W170 HydrophobicContact CG1-CH2 3.89Å; V95-W170 HydrophobicContact CG1-CZ3 4.09Å
96	T	95.6	Very high	90	Very high	4 Å²	4	19.6 Å²	19.6	3%	0.025	11%	0.109	C	C	.	.	H	α-helix	trans	-64.6	-43.7	178.1	-52.8	0	0	0	0	111.1	R92 G93 L94 K99 S100 L227 Y413 Q417	R92-T96 PolarHBondContact O-N 3.09Å; R92-T96 PolarHBondContact O-OG1 3.3Å; G93-T96 WeakPolarHBondContact O-CB 3.43Å; G93-T96 PolarHBondContact O-N 3.09Å; G93-T96 VanDerWaalsContact O-N 3.08Å; L94-T96 VanDerWaalsContact C-N 3.27Å; L94-T96 PolarHBondContact O-N 3.02Å; T96-K99 PolarHBondContact O-N 3.27Å; T96-S100 PolarHBondContact O-N 3Å; T96-L227 HydrophobicContact CG2-CD2 4.35Å; T96-Y413 HydrophobicContact CG2-CD2 3.75Å; T96-Y413 HydrophobicContact CG2-CE1 4.5Å; T96-Y413 HydrophobicContact CG2-CE2 3.66Å; T96-Y413 HydrophobicContact CG2-CG 4.22Å; T96-Q417 HydrophobicContact CG2-CB 4.47Å
97	L	96.6	Very high	88.1	Confident	1 Å²	1	22.8 Å²	22.8	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-59.9	-50.3	174.5	173.6	59.1	0	0	0	111.9	L83 G93 L94 K99 S100 I101 D223 L226 V228	L83-L97 HydrophobicContact CD2-CD2 3.59Å; G93-L97 PolarHBondContact O-N 3.38Å; L94-L97 PolarHBondContact O-N 3Å; L97-K99 VanDerWaalsContact C-N 3.33Å; L97-K99 PolarHBondContact O-N 3.32Å; L97-S100 WeakPolarHBondContact O-CA 3.28Å; L97-S100 WeakPolarHBondContact O-CB 3.43Å; L97-S100 PolarHBondContact O-N 3.41Å; L97-S100 PolarHBondContact O-OG 3.11Å; L97-I101 HydrophobicContact CD1-CD1 3.94Å; L97-I101 HydrophobicContact CD1-CG1 4.23Å; L97-I101 HydrophobicContact CG-CD1 3.95Å; L97-I101 WeakPolarHBondContact O-CG1 3.32Å; L97-I101 PolarHBondContact O-N 3.37Å; L97-D223 WeakPolarHBondContact CD2-O 3.46Å; L97-L226 HydrophobicContact CD1-CB 3.97Å; L97-V228 HydrophobicContact CD1-CG2 3.98Å
98	I	95.5	Very high	85.6	Confident	1 Å²	1	26.8 Å²	26.8	1%	0.005	13%	0.128	C	C	.	.	H	α-helix	trans	-60.8	-42	179.9	-66.6	-51	0	0	0	111.2	L94 V95 S100 I101 L102 L151 F167 W170 I172 F175	L94-I98 HydrophobicContact CD1-CD1 4.13Å; L94-I98 HydrophobicContact CD1-CG1 3.91Å; L94-I98 HydrophobicContact CG-CG1 4.2Å; L94-I98 WeakPolarHBondContact O-CG1 3.45Å; L94-I98 PolarHBondContact O-N 3.01Å; V95-I98 PolarHBondContact O-N 2.88Å; I98-S100 VanDerWaalsContact C-N 3.31Å; I98-S100 PolarHBondContact O-N 3.12Å; I98-I101 HydrophobicContact CD1-CD1 4.2Å; I98-I101 PolarHBondContact O-N 3.28Å; I98-L102 HydrophobicContact CG2-CD1 3.65Å; I98-L102 HydrophobicContact CG2-CG 4.01Å; I98-L102 WeakPolarHBondContact O-CB 3.43Å; I98-L102 VanDerWaalsContact O-CG 3.29Å; I98-L102 WeakPolarHBondContact O-CG 3.4Å; I98-L102 PolarHBondContact O-N 3.29Å; I98-L151 HydrophobicContact CD1-CD1 4.18Å; I98-L151 HydrophobicContact CD1-CD2 4.11Å; I98-L151 HydrophobicContact CG1-CD2 4.48Å; I98-F167 HydrophobicContact CG1-CE1 4.37Å; I98-F167 HydrophobicContact CG1-CZ 4.11Å; I98-F167 HydrophobicContact CG2-CE1 4.44Å; I98-W170 HydrophobicContact CB-CH2 4.45Å; I98-W170 HydrophobicContact CG2-CH2 4.05Å; I98-W170 HydrophobicContact CG2-CZ3 4.16Å; I98-I172 HydrophobicContact CG2-CD1 4.43Å; I98-F175 HydrophobicContact CD1-CZ 3.97Å; I98-F175 HydrophobicContact CG1-CZ 4.46Å; I98-F175 HydrophobicContact CG2-CE2 4.35Å; I98-F175 HydrophobicContact CG2-CZ 4.09Å
99	K	93.8	Very high	83	Confident	2 Å²	2	35.1 Å²	35.1	1%	0.009	16%	0.158	C	C	.	.	H	α-helix	trans	-58.6	-43.5	173.2	-73	176.3	-177.5	-177.5	0	111.7	V95 T96 L97 I101 L102 L103 W170 Y416 Q417 F419 D533	V95-K99 HydrophobicContact CG1-CD 4.44Å; V95-K99 WeakPolarHBondContact O-CG 3.43Å; V95-K99 PolarHBondContact O-N 3.36Å; T96-K99 PolarHBondContact O-N 3.27Å; L97-K99 VanDerWaalsContact C-N 3.33Å; L97-K99 PolarHBondContact O-N 3.32Å; K99-I101 VanDerWaalsContact C-N 3.33Å; K99-I101 PolarHBondContact O-N 2.85Å; K99-L102 PolarHBondContact O-N 3.05Å; K99-L103 WeakPolarHBondContact O-CB 3.13Å; K99-L103 WeakPolarHBondContact O-CG 3.48Å; K99-L103 PolarHBondContact O-N 3.01Å; K99-L103 VanDerWaalsContact O-N 3.08Å; K99-W170 HydrophobicContact CG-CH2 4Å; K99-W170 HydrophobicContact CG-CZ2 4.06Å; K99-Y416 WeakPolarHBondContact CD-O 3.44Å; K99-Y416 PolarHBondContact NZ-O 2.73Å; K99-Q417 PolarHBondContact NZ-O 2.96Å; K99-Q417 VanDerWaalsContact NZ-O 3.11Å; K99-F419 WeakPolarHBondContact CE-O 3.41Å; K99-F419 PolarHBondContact NZ-O 2.82Å; K99-D533 IonicContact NZ-OD1 2.68Å; K99-D533 PolarHBondContact NZ-OD1 3.36Å
100	S	93.8	Very high	80.1	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-61.1	-41.7	176.6	81.3	0	0	0	0	111.8	T96 L97 I98 Q104 V228	T96-S100 PolarHBondContact O-N 3Å; L97-S100 WeakPolarHBondContact O-CA 3.28Å; L97-S100 WeakPolarHBondContact O-CB 3.43Å; L97-S100 PolarHBondContact O-N 3.41Å; L97-S100 PolarHBondContact O-OG 3.11Å; I98-S100 VanDerWaalsContact C-N 3.31Å; I98-S100 PolarHBondContact O-N 3.12Å; S100-Q104 WeakPolarHBondContact O-CG 3.46Å; S100-Q104 PolarHBondContact O-N 2.84Å; S100-V228 PolarHBondContact OG-N 2.59Å; S100-V228 VanDerWaalsContact OG-N 3.12Å
101	I	93.6	Very high	77.5	Confident	8 Å²	8	38 Å²	38	4%	0.041	18%	0.181	C	C	.	.	H	α-helix	trans	-64.7	-50.1	177.2	-68.4	167.1	0	0	0	111.3	I81 L97 I98 K99 L103 Q104 R105 I149 L222 V228 L232	I81-I101 HydrophobicContact CD1-CD1 4.42Å; L97-I101 HydrophobicContact CD1-CD1 3.94Å; L97-I101 HydrophobicContact CD1-CG1 4.23Å; L97-I101 HydrophobicContact CG-CD1 3.95Å; L97-I101 WeakPolarHBondContact O-CG1 3.32Å; L97-I101 PolarHBondContact O-N 3.37Å; I98-I101 HydrophobicContact CD1-CD1 4.2Å; I98-I101 PolarHBondContact O-N 3.28Å; K99-I101 VanDerWaalsContact C-N 3.33Å; K99-I101 PolarHBondContact O-N 2.85Å; I101-L103 VanDerWaalsContact C-N 3.28Å; I101-L103 PolarHBondContact O-N 3.21Å; I101-Q104 PolarHBondContact O-N 3Å; I101-Q104 VanDerWaalsContact O-N 3.14Å; I101-R105 PolarHBondContact O-N 3.05Å; I101-I149 HydrophobicContact CG2-CD1 4.07Å; I101-L222 HydrophobicContact CD1-CD1 4.21Å; I101-V228 HydrophobicContact CD1-CG2 4.36Å; I101-V228 HydrophobicContact CG1-CB 3.93Å; I101-V228 HydrophobicContact CG1-CG1 4.35Å; I101-V228 HydrophobicContact CG1-CG2 3.64Å; I101-L232 HydrophobicContact CD1-CD1 3.93Å; I101-L232 HydrophobicContact CG1-CD1 3.94Å; I101-L232 HydrophobicContact CG2-CD1 3.77Å; I101-L232 HydrophobicContact CG2-CG 4.4Å
102	L	89.7	Confident	74.4	Confident	15 Å²	15	44.1 Å²	44.1	8%	0.079	21%	0.21	C	C	.	.	H	α-helix	trans	-64.3	-33.2	-175.5	-68.5	176	0	0	0	112.1	I98 K99 Q104 R105 I172 F175 V424	I98-L102 HydrophobicContact CG2-CD1 3.65Å; I98-L102 HydrophobicContact CG2-CG 4.01Å; I98-L102 WeakPolarHBondContact O-CB 3.43Å; I98-L102 VanDerWaalsContact O-CG 3.29Å; I98-L102 WeakPolarHBondContact O-CG 3.4Å; I98-L102 PolarHBondContact O-N 3.29Å; K99-L102 PolarHBondContact O-N 3.05Å; L102-Q104 VanDerWaalsContact C-N 3.32Å; L102-Q104 PolarHBondContact O-N 2.98Å; L102-R105 WeakPolarHBondContact O-CB 3.37Å; L102-R105 PolarHBondContact O-N 2.99Å; L102-I172 HydrophobicContact CD1-CD1 3.92Å; L102-I172 HydrophobicContact CD1-CG1 4.33Å; L102-I172 HydrophobicContact CD1-CG2 3.9Å; L102-I172 HydrophobicContact CD2-CG2 4.08Å; L102-F175 HydrophobicContact CD2-CD2 4.12Å; L102-F175 HydrophobicContact CD2-CE2 4.33Å; L102-V424 HydrophobicContact CB-CB 4.41Å; L102-V424 HydrophobicContact CB-CG1 3.99Å; L102-V424 HydrophobicContact CD1-CB 4Å; L102-V424 HydrophobicContact CD1-CG1 4.31Å; L102-V424 HydrophobicContact CD1-CG2 3.93Å
103	L	86	Confident	71.8	Confident	63 Å²	63	47.6 Å²	47.6	33%	0.33	23%	0.225	S	C	.	.	H	α-helix	trans	-72.3	-22.6	177	-74.3	169	0	0	0	113.7	K99 I101 R105 Y416 F419	K99-L103 WeakPolarHBondContact O-CB 3.13Å; K99-L103 WeakPolarHBondContact O-CG 3.48Å; K99-L103 PolarHBondContact O-N 3.01Å; K99-L103 VanDerWaalsContact O-N 3.08Å; I101-L103 VanDerWaalsContact C-N 3.28Å; I101-L103 PolarHBondContact O-N 3.21Å; L103-R105 VanDerWaalsContact C-N 3.3Å; L103-Y416 HydrophobicContact CB-CE1 4.4Å; L103-Y416 HydrophobicContact CD1-CD1 3.63Å; L103-Y416 HydrophobicContact CD1-CE1 3.46Å; L103-Y416 VanDerWaalsContact CD1-CE1 3.46Å; L103-F419 HydrophobicContact CD1-CD1 4.05Å; L103-F419 HydrophobicContact CD1-CD2 4.45Å; L103-F419 HydrophobicContact CD1-CE1 3.92Å; L103-F419 HydrophobicContact CD1-CE2 4.35Å; L103-F419 HydrophobicContact CD1-CG 4.3Å; L103-F419 HydrophobicContact CD1-CZ 4.08Å; L103-F419 HydrophobicContact CD2-CE1 3.83Å; L103-F419 HydrophobicContact CD2-CZ 3.72Å; L103-F419 HydrophobicContact CG-CE1 4.31Å
104	Q	83.7	Confident	68.8	Low	40 Å²	40	52 Å²	52	19%	0.187	26%	0.255	C	S	.	.	H	α-helix	trans	-83.3	-8.1	172.4	-55.2	-49.5	-32.7	0	0	113.2	S100 I101 L102 K106 V228 N229 Y416	S100-Q104 WeakPolarHBondContact O-CG 3.46Å; S100-Q104 PolarHBondContact O-N 2.84Å; I101-Q104 PolarHBondContact O-N 3Å; I101-Q104 VanDerWaalsContact O-N 3.14Å; L102-Q104 VanDerWaalsContact C-N 3.32Å; L102-Q104 PolarHBondContact O-N 2.98Å; Q104-K106 VanDerWaalsContact C-N 3.31Å; Q104-K106 PolarHBondContact O-N 3.32Å; Q104-V228 HydrophobicContact CG-CG1 4.29Å; Q104-V228 VanDerWaalsContact CG-O 3.3Å; Q104-V228 WeakPolarHBondContact CG-O 3.39Å; Q104-V228 PolarHBondContact NE2-O 3.16Å; Q104-N229 PolarHBondContact OE1-O 3.41Å; Q104-Y416 PolarHBondContact NE2-OH 3.1Å
105	R	70.2	Confident	65.9	Low	17 Å²	17	61.3 Å²	61.3	6%	0.064	30%	0.296	C	S	.	.			trans	-71.2	84.9	-178.8	-168.5	178.8	177.9	176.2	3.9	110.3	I101 L102 L103 W107 R147 P173	I101-R105 PolarHBondContact O-N 3.05Å; L102-R105 WeakPolarHBondContact O-CB 3.37Å; L102-R105 PolarHBondContact O-N 2.99Å; L103-R105 VanDerWaalsContact C-N 3.3Å; R105-W107 VanDerWaalsContact CZ-CZ2 3.45Å; R105-W107 PolarHBondContact O-N 3.02Å; R105-R147 PolarHBondContact NH2-O 3.44Å; R105-P173 PolarHBondContact NH1-O 2.79Å; R105-P173 VanDerWaalsContact NH1-O 3.16Å
106	K	59.8	Low	63.2	Low	98 Å²	98	64.7 Å²	64.7	43%	0.426	31%	0.31	S	S	.	.			trans	-72.1	93.8	174.5	-68.7	-177.4	-178.5	170.7	0	110.1	Q104 E108 R147	Q104-K106 VanDerWaalsContact C-N 3.31Å; Q104-K106 PolarHBondContact O-N 3.32Å; K106-E108 PolarHBondContact O-N 3.31Å; K106-R147 VanDerWaalsContact C-NH1 3.27Å; K106-R147 PolarHBondContact O-NH1 2.76Å; K106-R147 PolarHBondContact O-NH2 2.99Å
107	W	51.8	Low	60.3	Low	86 Å²	86	70.5 Å²	70.5	33%	0.326	35%	0.348	S	S	.	.	S	Bend	trans	-52.5	-22.5	178.8	-65.6	94	0	0	0	113.3	R105 N174	R105-W107 VanDerWaalsContact CZ-CZ2 3.45Å; R105-W107 PolarHBondContact O-N 3.02Å; W107-N174 HydrophobicContact CH2-CB 4.48Å
108	E	36.2	Very low	57.2	Low	103 Å²	103	80.8 Å²	80.8	48%	0.481	39%	0.387	S	S	.	.			trans	-132	116.5	178.8	-64.9	171.8	178.5	0	0	111	K106 S432	K106-E108 PolarHBondContact O-N 3.31Å; E108-S432 PolarHBondContact OE1-OG 3.12Å
109	R	37.3	Very low	54.3	Low	182 Å²	182	86.4 Å²	86.4	69%	0.687	42%	0.423	S	S	*	.			trans	-166.8	134.6	152.1	-113.3	-176.5	-172.1	-171.9	-0.4	110	V111	R109-V111 PolarHBondContact O-N 2.99Å
110	S	30.6	Very low	51.3	Low	74 Å²	74	91.1 Å²	91.1	52%	0.517	46%	0.463	S	S	.	.			trans	-57.5	111.1	167.1	57.1	0	0	0	0	109.8	E112 N142	S110-E112 PolarHBondContact O-N 3.25Å; S110-N142 WeakPolarHBondContact CB-OD1 3.27Å
111	V	38.1	Very low	48.4	Very low	76 Å²	76	96.8 Å²	96.8	46%	0.461	50%	0.497	S	S	.	.			trans	-76.6	111	166.3	-177.6	0	0	0	0	106.7	R109 F113	R109-V111 PolarHBondContact O-N 2.99Å; V111-F113 VanDerWaalsContact C-N 3.27Å; V111-F113 HydrophobicContact CB-CD2 3.9Å; V111-F113 HydrophobicContact CB-CE2 3.87Å; V111-F113 HydrophobicContact CG1-CD2 3.59Å; V111-F113 HydrophobicContact CG1-CE2 3.56Å; V111-F113 HydrophobicContact CG1-CG 4.28Å; V111-F113 HydrophobicContact CG1-CZ 4.21Å; V111-F113 PolarHBondContact O-N 3.46Å
112	E	29.2	Very low	45.5	Very low	129 Å²	129	104.5 Å²	104.5	60%	0.603	54%	0.538	S	S	*	.			trans	-65.6	90.7	165.3	-85.9	-174.1	165.6	0	0	108.6	S110 S114 K140	S110-E112 PolarHBondContact O-N 3.25Å; E112-S114 PolarHBondContact O-N 3.48Å; E112-S114 VanDerWaalsContact O-N 3.12Å; E112-K140 IonicContact OE1-NZ 2.61Å
113	F	39.2	Very low	42.7	Very low	88 Å²	88	114 Å²	114	39%	0.386	58%	0.578	S	S	.	*	G	3₁₀ helix	trans	-70.9	8.5	170.4	-91.9	-82	0	0	0	113	V111 K115 F116	V111-F113 VanDerWaalsContact C-N 3.27Å; V111-F113 HydrophobicContact CB-CD2 3.9Å; V111-F113 HydrophobicContact CB-CE2 3.87Å; V111-F113 HydrophobicContact CG1-CD2 3.59Å; V111-F113 HydrophobicContact CG1-CE2 3.56Å; V111-F113 HydrophobicContact CG1-CG 4.28Å; V111-F113 HydrophobicContact CG1-CZ 4.21Å; V111-F113 PolarHBondContact O-N 3.46Å; F113-K115 PolarHBondContact O-N 3.14Å; F113-K115 VanDerWaalsContact O-N 3.12Å; F113-F116 HydrophobicContact CD1-CB 4.31Å; F113-F116 AromaticContact CD1-CD2 3.52Å; F113-F116 HydrophobicContact CD1-CD2 3.52Å; F113-F116 HydrophobicContact CD1-CE2 4.09Å; F113-F116 HydrophobicContact CD1-CG 4.11Å; F113-F116 AromaticContact CE1-CD2 3.89Å; F113-F116 HydrophobicContact CE1-CD2 3.89Å; F113-F116 HydrophobicContact CE1-CE2 4.03Å; F113-F116 HydrophobicContact CE1-CG 4.48Å; F113-F116 PolarHBondContact O-N 3.48Å; F113-F116 VanDerWaalsContact O-N 3.14Å
114	S	32.3	Very low	40.3	Very low	98 Å²	98	116.1 Å²	116.1	69%	0.685	60%	0.598	S	S	*	*	G	3₁₀ helix	trans	-69.2	-2.3	178.3	53.3	0	0	0	0	114.3	E112	E112-S114 PolarHBondContact O-N 3.48Å; E112-S114 VanDerWaalsContact O-N 3.12Å
115	K	35.7	Very low	37.9	Very low	196 Å²	196	121 Å²	121	85%	0.852	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-102.8	7.1	170.1	-71.9	-172.9	177.8	179.9	0	114.8	F113	F113-K115 PolarHBondContact O-N 3.14Å; F113-K115 VanDerWaalsContact O-N 3.12Å
116	F	38.6	Very low	36.3	Very low	77 Å²	77	126 Å²	126	34%	0.338	66%	0.663	S	S	.	*	S	Bend	trans	-106.4	122.9	172	-76.7	-87.6	0	0	0	110.3	F113 R118	F113-F116 HydrophobicContact CD1-CB 4.31Å; F113-F116 AromaticContact CD1-CD2 3.52Å; F113-F116 HydrophobicContact CD1-CD2 3.52Å; F113-F116 HydrophobicContact CD1-CE2 4.09Å; F113-F116 HydrophobicContact CD1-CG 4.11Å; F113-F116 AromaticContact CE1-CD2 3.89Å; F113-F116 HydrophobicContact CE1-CD2 3.89Å; F113-F116 HydrophobicContact CE1-CE2 4.03Å; F113-F116 HydrophobicContact CE1-CG 4.48Å; F113-F116 PolarHBondContact O-N 3.48Å; F113-F116 VanDerWaalsContact O-N 3.14Å; F116-R118 PolarHBondContact O-N 3.36Å; F116-R118 VanDerWaalsContact O-N 3.11Å
117	P	34.6	Very low	35.1	Very low	127 Å²	127	126.7 Å²	126.7	83%	0.825	68%	0.676	S	S	*	*			trans	-65.9	114	174.2	25.6	-29.5	0	0	0	108.9
118	R	32.2	Very low	34.4	Very low	217 Å²	217	131 Å²	131	82%	0.819	70%	0.697	S	S	*	*			trans	-73.6	146.4	165.9	-73.4	-174.5	-176.1	-176.4	1.7	109.1	F116 A120	F116-R118 PolarHBondContact O-N 3.36Å; F116-R118 VanDerWaalsContact O-N 3.11Å; R118-A120 PolarHBondContact O-N 2.76Å
119	P	34.2	Very low	34.6	Very low	118 Å²	118	133.4 Å²	133.4	77%	0.766	71%	0.713	S	S	*	*			trans	-55.6	131.3	168.6	-17.7	29.5	0	0	0	109.9	T121	P119-T121 PolarHBondContact O-N 2.78Å
120	A	30.7	Very low	34.8	Very low	102 Å²	102	128.8 Å²	128.8	84%	0.843	72%	0.722	S	S	*	*	S	Bend	trans	-76	87.5	-174.3	0	0	0	0	0	112.1	R118	R118-A120 PolarHBondContact O-N 2.76Å
121	T	32.8	Very low	35	Very low	119 Å²	119	133.1 Å²	133.1	73%	0.73	73%	0.732	S	S	*	*			trans	-156.1	74	167.2	41.8	0	0	0	0	111.7	P119	P119-T121 PolarHBondContact O-N 2.78Å
122	L	32.5	Very low	34.9	Very low	170 Å²	170	138.6 Å²	138.6	89%	0.89	75%	0.753	S	S	*	*			trans	178.9	86.4	153.8	-102.8	138.1	0	0	0	109.5
123	K	31.4	Very low	35	Very low	214 Å²	214	137.8 Å²	137.8	93%	0.93	76%	0.757	S	S	*	*			trans	-115.6	111.4	160.4	-77.9	-172.5	176.5	-175.6	0	107
124	S	35.5	Very low	34.8	Very low	107 Å²	107	141.2 Å²	141.2	75%	0.748	78%	0.777	S	S	*	*			trans	-110.1	116	168.7	53	0	0	0	0	109.1
125	T	33.3	Very low	34.7	Very low	144 Å²	144	143.1 Å²	143.1	88%	0.883	78%	0.777	S	S	*	*			trans	-87.5	134.7	171.2	17.3	0	0	0	0	109.6
126	V	37	Very low	34.4	Very low	120 Å²	120	140.3 Å²	140.3	73%	0.727	77%	0.772	S	S	*	*			trans	-127.1	127.5	171.7	-179.5	0	0	0	0	108.3	F128	V126-F128 HydrophobicContact CG1-CD2 4.41Å
127	T	34.4	Very low	34.1	Very low	114 Å²	114	142.5 Å²	142.5	70%	0.699	79%	0.786	S	S	*	*			trans	-92.1	130.1	177.4	30.4	0	0	0	0	110.7
128	F	36	Very low	33.9	Very low	175 Å²	175	141.6 Å²	141.6	77%	0.768	78%	0.779	S	S	*	*			trans	-134.3	128.1	165.9	-110.7	-91.4	0	0	0	108.6	V126	V126-F128 HydrophobicContact CG1-CD2 4.41Å
129	N	40	Very low	33.9	Very low	154 Å²	154	136.7 Å²	136.7	82%	0.824	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	56.5	46.1	175.8	-70.6	-7.4	0	0	0	117.5	K131	N129-K131 PolarHBondContact O-N 3.22Å
130	G	41.9	Very low	33.7	Very low	85 Å²	85	138.5 Å²	138.5	88%	0.876	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	64	14	160.6	0	0	0	0	0	116.2
131	K	36	Very low	34.1	Very low	165 Å²	165	140 Å²	140	72%	0.717	75%	0.754	S	S	*	*			trans	-124.7	121.4	172	-76.4	-177.6	174.5	179.8	0	109.1	N129 T133	N129-K131 PolarHBondContact O-N 3.22Å; K131-T133 PolarHBondContact O-N 2.9Å
132	E	36.2	Very low	34.6	Very low	192 Å²	192	140.1 Å²	140.1	90%	0.897	75%	0.75	S	S	*	*			trans	-68.3	107.4	167.4	-72.5	-176.2	157.2	0	0	108.6
133	T	31.4	Very low	35.3	Very low	112 Å²	112	136.9 Å²	136.9	69%	0.687	73%	0.73	S	S	*	*			trans	-117.4	117.5	168.1	31.5	0	0	0	0	109.3	K131 M135	K131-T133 PolarHBondContact O-N 2.9Å; T133-M135 PolarHBondContact O-N 3.48Å; T133-M135 VanDerWaalsContact O-N 3.13Å
134	I	34.2	Very low	36.3	Very low	159 Å²	159	128.8 Å²	128.8	82%	0.815	70%	0.7	S	S	*	*			trans	-69.3	101.6	168.5	-59.3	172.7	0	0	0	106.8	D136	I134-D136 PolarHBondContact O-N 2.83Å
135	M	29.9	Very low	37.5	Very low	138 Å²	138	126 Å²	126	68%	0.68	67%	0.674	S	S	*	*			trans	-84.5	100.7	166.7	-79.1	-175.4	73	0	0	109.1	T133 N137	T133-M135 PolarHBondContact O-N 3.48Å; T133-M135 VanDerWaalsContact O-N 3.13Å; M135-N137 PolarHBondContact O-N 3.47Å
136	D	30.1	Very low	38.9	Very low	138 Å²	138	120.4 Å²	120.4	74%	0.738	64%	0.638	S	S	*	*			trans	-69.4	81.1	160.4	-84.4	-23.9	0	0	0	109	I134 V138	I134-D136 PolarHBondContact O-N 2.83Å; D136-V138 HydrophobicContact CB-CG2 4.42Å; D136-V138 PolarHBondContact O-N 2.9Å
137	N	32.2	Very low	40.7	Very low	122 Å²	122	115.6 Å²	115.6	65%	0.652	61%	0.607	S	S	*	*			trans	-72.2	75.4	166.2	-86.4	-15.7	0	0	0	109.4	M135 N139	M135-N137 PolarHBondContact O-N 3.47Å; N137-N139 PolarHBondContact O-N 3.39Å
138	V	30.4	Very low	43.3	Very low	109 Å²	109	110.8 Å²	110.8	66%	0.661	58%	0.576	S	S	*	*			trans	-76.6	74.8	164.9	-173.4	0	0	0	0	108	D136 K140	D136-V138 HydrophobicContact CB-CG2 4.42Å; D136-V138 PolarHBondContact O-N 2.9Å; V138-K140 VanDerWaalsContact C-N 3.33Å; V138-K140 HydrophobicContact CG1-CG 4.2Å; V138-K140 PolarHBondContact O-N 3.04Å
139	N	31.1	Very low	46.1	Very low	113 Å²	113	102.9 Å²	102.9	60%	0.604	54%	0.542	S	S	*	.			trans	-68.2	98.3	160.8	-85.5	-10.9	0	0	0	107.8	N137 H141	N137-N139 PolarHBondContact O-N 3.39Å; N139-H141 WeakPolarHBondContact CB-NE2 3.46Å; N139-H141 PolarHBondContact O-N 3.45Å
140	K	30.9	Very low	48.8	Very low	157 Å²	157	96.6 Å²	96.6	68%	0.683	51%	0.508	S	S	*	.			trans	-63	78.4	164.3	-77.1	-176.1	172.4	-175	0	108.8	E112 V138 N142	E112-K140 IonicContact OE1-NZ 2.61Å; V138-K140 VanDerWaalsContact C-N 3.33Å; V138-K140 HydrophobicContact CG1-CG 4.2Å; V138-K140 PolarHBondContact O-N 3.04Å; K140-N142 PolarHBondContact O-N 2.63Å
141	H	39.2	Very low	51.5	Low	134 Å²	134	92.6 Å²	92.6	62%	0.62	47%	0.467	S	S	*	.			trans	-75.8	107	171.3	-73.7	-61.2	0	0	0	109	N139 E143	N139-H141 WeakPolarHBondContact CB-NE2 3.46Å; N139-H141 PolarHBondContact O-N 3.45Å; H141-E143 PolarHBondContact O-N 3.45Å
142	N	42.2	Very low	54.4	Low	121 Å²	121	84.9 Å²	84.9	65%	0.647	43%	0.433	S	S	*	.			trans	-68.5	90.5	169.2	-73.8	-12.5	0	0	0	109.1	S110 K140 C144	S110-N142 WeakPolarHBondContact CB-OD1 3.27Å; K140-N142 PolarHBondContact O-N 2.63Å; N142-C144 PolarHBondContact O-N 2.82Å
143	E	47.9	Very low	57.4	Low	101 Å²	101	75.8 Å²	75.8	47%	0.472	39%	0.391	S	S	.	.			trans	-68.4	120	170.6	-75.5	-170	-170.8	0	0	109.4	K75 H141 Y145	K75-E143 IonicContact NZ-OE1 2.81Å; K75-E143 IonicContact NZ-OE2 2.81Å; K75-E143 PolarHBondContact NZ-OE2 3.22Å; H141-E143 PolarHBondContact O-N 3.45Å; E143-Y145 HydrophobicContact CB-CD2 4.39Å; E143-Y145 HydrophobicContact CB-CE1 4.39Å; E143-Y145 HydrophobicContact CB-CE2 3.63Å; E143-Y145 VanDerWaalsContact O-CD2 3.32Å; E143-Y145 WeakPolarHBondContact O-CD2 3.43Å; E143-Y145 WeakPolarHBondContact O-CE2 3.48Å; E143-Y145 PolarHBondContact OE2-OH 2.92Å
144	C	52.5	Low	60.6	Low	45 Å²	45	70.4 Å²	70.4	30%	0.304	36%	0.358	S	S	.	.			trans	-83.7	117.3	173.2	-165.6	0	0	0	0	110	N142 C433	N142-C144 PolarHBondContact O-N 2.82Å; C144-C433 HydrophobicContact CB-CB 4.23Å; C144-C433 WeakPolarHBondContact CB-SG 3.09Å; C144-C433 WeakPolarHBondContact SG-CB 3.47Å; C144-C433 CovalentContact SG-SG 2.04Å; C144-C433 PolarHBondContact SG-SG 2.74Å
145	Y	60.8	Low	63.5	Low	49 Å²	49	63 Å²	63	19%	0.192	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	127.3	177.1	-58.8	-84.2	0	0	0	110.1	K75 I77 E143 R147	K75-Y145 HydrophobicContact CB-CD1 3.65Å; K75-Y145 HydrophobicContact CB-CE1 3.73Å; K75-Y145 HydrophobicContact CD-CE1 3.83Å; K75-Y145 HydrophobicContact CG-CE1 4.44Å; K75-Y145 WeakPolarHBondContact O-CD1 3.3Å; I77-Y145 HydrophobicContact CD1-CD1 3.48Å; I77-Y145 VanDerWaalsContact CD1-CD1 3.48Å; I77-Y145 HydrophobicContact CD1-CE1 3.93Å; I77-Y145 HydrophobicContact CD1-CG 3.83Å; I77-Y145 HydrophobicContact CG1-CD1 3.85Å; I77-Y145 HydrophobicContact CG1-CE1 4.5Å; I77-Y145 HydrophobicContact CG1-CG 4.4Å; E143-Y145 HydrophobicContact CB-CD2 4.39Å; E143-Y145 HydrophobicContact CB-CE1 4.39Å; E143-Y145 HydrophobicContact CB-CE2 3.63Å; E143-Y145 VanDerWaalsContact O-CD2 3.32Å; E143-Y145 WeakPolarHBondContact O-CD2 3.43Å; E143-Y145 WeakPolarHBondContact O-CE2 3.48Å; E143-Y145 PolarHBondContact OE2-OH 2.92Å; Y145-R147 PolarHBondContact O-N 3.24Å
146	I	61.7	Low	66.5	Low	26 Å²	26	57.5 Å²	57.5	13%	0.133	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	111.8	163.9	-61.1	169.6	0	0	0	105.9	K74 I76 I77 Y437	K74-I146 HydrophobicContact CD-CD1 3.99Å; I76-I146 WeakPolarHBondContact CA-O 3.36Å; I76-I146 HydrophobicContact CG1-CB 4.32Å; I77-I146 PolarHBondContact N-O 3.16Å; I146-Y437 HydrophobicContact CD1-CE2 3.84Å
147	R	75.7	Confident	69.3	Low	18 Å²	18	56 Å²	56	7%	0.068	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	140.7	171.7	-60.4	-171.3	-167.5	123.4	18.2	108.2	R105 K106 Y145 N174 D231	R105-R147 PolarHBondContact NH2-O 3.44Å; K106-R147 VanDerWaalsContact C-NH1 3.27Å; K106-R147 PolarHBondContact O-NH1 2.76Å; K106-R147 PolarHBondContact O-NH2 2.99Å; Y145-R147 PolarHBondContact O-N 3.24Å; R147-N174 WeakPolarHBondContact O-CB 3.34Å; R147-D231 IonicContact CZ-OD2 3.86Å; R147-D231 IonicContact NE-OD2 3.47Å; R147-D231 PolarHBondContact NE-OD2 3.49Å; R147-D231 IonicContact NH1-OD2 3.87Å; R147-D231 PolarHBondContact NH1-OD2 3.36Å; R147-D231 IonicContact NH2-OD2 3.8Å
148	H	89.5	Confident	72	Confident	13 Å²	13	51.2 Å²	51.2	6%	0.06	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	132.7	174.1	-172.4	-91.3	0	0	0	108	I76 I77 T78 I79 N150 N176	I76-H148 HydrophobicContact CG2-CB 3.97Å; I77-H148 PolarHBondContact O-N 3.39Å; T78-H148 CarbonylContact C-O 3.59Å; T78-H148 VanDerWaalsContact CA-O 3.29Å; T78-H148 WeakPolarHBondContact CA-O 3.42Å; I79-H148 PolarHBondContact N-O 2.86Å; H148-N150 PolarHBondContact CE1-OD1 3.39Å; H148-N150 PolarHBondContact ND1-OD1 3.36Å; H148-N176 PolarHBondContact CE1-ND2 3.13Å; H148-N176 PolarHBondContact NE2-ND2 3.17Å
149	I	93.9	Very high	75	Confident	10 Å²	10	46 Å²	46	5%	0.051	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	126.1	177.6	-63.3	174.4	0	0	0	108.3	I79 I81 I101 N174 F175 N176	I79-I149 WeakPolarHBondContact O-CA 3.29Å; I81-I149 HydrophobicContact CD1-CG2 3.81Å; I81-I149 HydrophobicContact CG1-CG2 4.32Å; I101-I149 HydrophobicContact CG2-CD1 4.07Å; I149-N174 PolarHBondContact N-O 3.44Å; I149-N174 VanDerWaalsContact N-O 3.08Å; I149-F175 HydrophobicContact CB-CD2 3.69Å; I149-F175 HydrophobicContact CB-CE2 3.93Å; I149-F175 HydrophobicContact CD1-CD2 4.24Å; I149-F175 HydrophobicContact CD1-CE2 4.23Å; I149-F175 HydrophobicContact CG1-CD2 4.5Å; I149-F175 HydrophobicContact CG2-CD2 3.87Å; I149-F175 HydrophobicContact CG2-CE2 3.57Å; I149-F175 HydrophobicContact CG2-CZ 4.32Å; I149-F175 CarbonylContact O-C 3.5Å; I149-F175 WeakPolarHBondContact O-CA 3.26Å; I149-N176 PolarHBondContact O-N 2.75Å
150	N	97.1	Very high	78.1	Confident	22 Å²	22	44.3 Å²	44.3	12%	0.118	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	119.5	165.6	-72.6	-19.2	0	0	0	108.1	T78 I79 D80 I81 H148 N176 Y178	T78-N150 HydrophobicContact CG2-CB 4.43Å; T78-N150 VanDerWaalsContact CG2-ND2 3.25Å; T78-N150 WeakPolarHBondContact CG2-ND2 3.43Å; I79-N150 PolarHBondContact O-N 2.72Å; D80-N150 WeakPolarHBondContact CA-O 3.4Å; D80-N150 WeakPolarHBondContact OD1-CB 3.02Å; D80-N150 PolarHBondContact OD1-ND2 2.84Å; I81-N150 PolarHBondContact N-O 3.42Å; H148-N150 PolarHBondContact CE1-OD1 3.39Å; H148-N150 PolarHBondContact ND1-OD1 3.36Å; N150-N176 CarbonylContact C-O 3.57Å; N150-Y178 HydrophobicContact CB-CD2 4.48Å; N150-Y178 HydrophobicContact CB-CE2 4.04Å
151	L	98	Very high	81	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	113	177.3	-175.9	68.4	0	0	0	109.7	I81 L83 I98 L153 F167 F175 N176 V177 Y178	I81-L151 HydrophobicContact CB-CD1 4.21Å; I81-L151 HydrophobicContact CG2-CD1 4.06Å; I81-L151 CarbonylContact O-C 3.6Å; I81-L151 WeakPolarHBondContact O-CA 3.03Å; L83-L151 HydrophobicContact CD1-CD1 3.49Å; L83-L151 VanDerWaalsContact CD1-CD1 3.49Å; I98-L151 HydrophobicContact CD1-CD1 4.18Å; I98-L151 HydrophobicContact CD1-CD2 4.11Å; I98-L151 HydrophobicContact CG1-CD2 4.48Å; L151-L153 HydrophobicContact CD1-CD2 4.12Å; L151-L153 HydrophobicContact CD2-CD1 4Å; L151-L153 HydrophobicContact CD2-CD2 3.9Å; L151-L153 HydrophobicContact CD2-CG 4.01Å; L151-L153 HydrophobicContact CG-CD1 4.47Å; L151-L153 HydrophobicContact CG-CD2 3.82Å; L151-L153 HydrophobicContact CG-CG 3.94Å; L151-F167 HydrophobicContact CD2-CE1 4.21Å; L151-F167 HydrophobicContact CD2-CE2 4.03Å; L151-F167 HydrophobicContact CD2-CZ 3.71Å; L151-F175 HydrophobicContact CB-CE1 4Å; L151-F175 HydrophobicContact CB-CZ 3.94Å; L151-F175 HydrophobicContact CD2-CE1 3.94Å; L151-F175 HydrophobicContact CD2-CZ 3.86Å; L151-F175 HydrophobicContact CG-CZ 4.4Å; L151-N176 PolarHBondContact N-O 3.38Å; L151-V177 HydrophobicContact CB-CG1 4.45Å; L151-V177 HydrophobicContact CB-CG2 4.23Å; L151-V177 HydrophobicContact CD2-CG1 4.23Å; L151-V177 HydrophobicContact CD2-CG2 4.26Å; L151-V177 CarbonylContact O-C 3.52Å; L151-V177 WeakPolarHBondContact O-CA 3.44Å; L151-Y178 PolarHBondContact O-N 3.23Å
152	H	98.5	Very high	83.6	Confident	4 Å²	4	34 Å²	34	2%	0.019	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	105	178.3	-61.9	-88.4	0	0	0	110	D80 I81 S82 L83 Y178 Y180 L212 V216	D80-H152 IonicContact OD1-NE2 3.64Å; D80-H152 PolarHBondContact OD1-NE2 3.42Å; I81-H152 PolarHBondContact O-N 3.33Å; S82-H152 VanDerWaalsContact CA-O 3.23Å; S82-H152 WeakPolarHBondContact CA-O 3.01Å; L83-H152 PolarHBondContact N-O 2.58Å; H152-Y178 AromaticContact CE1-CD2 3.78Å; H152-Y180 HydrophobicContact CB-CD2 4.43Å; H152-Y180 HydrophobicContact CB-CE2 3.7Å; H152-Y180 AromaticContact ND1-CE2 3.54Å; H152-Y180 AromaticContact ND1-CZ 3.62Å; H152-Y180 PolarHBondContact ND1-OH 3.18Å; H152-L212 HydrophobicContact CB-CD2 3.75Å; H152-V216 VanDerWaalsContact CE1-CG2 3.41Å; H152-V216 WeakPolarHBondContact CE1-CG2 3.47Å
153	L	98.2	Very high	86.2	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	109.8	-177.9	-62.8	179.8	0	0	0	110.5	L83 I85 L94 L151 S155 L163 F167 V177 Y178 F179 Y180	L83-L153 HydrophobicContact CB-CD2 4.2Å; L83-L153 HydrophobicContact CD1-CD2 4.33Å; I85-L153 HydrophobicContact CG1-CD2 4.19Å; L94-L153 HydrophobicContact CD1-CD2 4.43Å; L94-L153 HydrophobicContact CD2-CD1 3.95Å; L94-L153 HydrophobicContact CD2-CD2 3.79Å; L151-L153 HydrophobicContact CD1-CD2 4.12Å; L151-L153 HydrophobicContact CD2-CD1 4Å; L151-L153 HydrophobicContact CD2-CD2 3.9Å; L151-L153 HydrophobicContact CD2-CG 4.01Å; L151-L153 HydrophobicContact CG-CD1 4.47Å; L151-L153 HydrophobicContact CG-CD2 3.82Å; L151-L153 HydrophobicContact CG-CG 3.94Å; L153-S155 PolarHBondContact O-N 3.08Å; L153-L163 HydrophobicContact CD1-CB 4.49Å; L153-L163 HydrophobicContact CD1-CD1 4.12Å; L153-F167 HydrophobicContact CD1-CD2 4.33Å; L153-F167 HydrophobicContact CD1-CE2 3.94Å; L153-V177 HydrophobicContact CD1-CG1 3.69Å; L153-V177 HydrophobicContact CG-CG1 4.16Å; L153-Y178 PolarHBondContact N-O 3.39Å; L153-F179 HydrophobicContact CB-CD1 3.88Å; L153-F179 HydrophobicContact CB-CE1 4.05Å; L153-F179 HydrophobicContact CD1-CD1 4.18Å; L153-F179 HydrophobicContact CD1-CE1 3.5Å; L153-F179 VanDerWaalsContact CD1-CE1 3.5Å; L153-F179 HydrophobicContact CD1-CZ 3.81Å; L153-F179 HydrophobicContact CG-CE1 4.39Å; L153-F179 CarbonylContact O-C 3.42Å; L153-F179 WeakPolarHBondContact O-CA 3.5Å; L153-Y180 PolarHBondContact O-N 2.75Å
154	I	97.8	Very high	88.5	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	100.4	169	-54.4	173.3	0	0	0	106.4	L83 V84 I85 Y180 L182 I208 I211	L83-I154 PolarHBondContact O-N 2.53Å; V84-I154 CarbonylContact C-O 3.37Å; V84-I154 WeakPolarHBondContact CA-O 3.39Å; V84-I154 HydrophobicContact CG2-CB 4.24Å; V84-I154 HydrophobicContact CG2-CD1 4.32Å; I85-I154 PolarHBondContact N-O 3.49Å; I154-Y180 WeakPolarHBondContact CA-O 3.4Å; I154-Y180 HydrophobicContact CG1-CD2 4.4Å; I154-L182 HydrophobicContact CG2-CB 4.13Å; I154-L182 HydrophobicContact CG2-CD1 3.74Å; I154-L182 HydrophobicContact CG2-CG 4.44Å; I154-I208 HydrophobicContact CD1-CG1 3.89Å; I154-I211 HydrophobicContact CD1-CB 4.18Å; I154-I211 HydrophobicContact CD1-CD1 4.1Å; I154-I211 HydrophobicContact CD1-CG2 3.94Å; I154-I211 HydrophobicContact CG1-CG2 3.89Å; I154-I211 HydrophobicContact CG2-CD1 3.85Å; I154-I211 HydrophobicContact CG2-CG2 4.34Å
155	S	95.9	Very high	90.6	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.014	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	147.8	-165.4	62.5	0	0	0	0	113.1	I85 L153 Y180 L182	I85-S155 VanDerWaalsContact O-CA 3.26Å; I85-S155 WeakPolarHBondContact O-CA 3.42Å; L153-S155 PolarHBondContact O-N 3.08Å; S155-Y180 PolarHBondContact N-O 2.72Å; S155-L182 PolarHBondContact O-N 2.95Å
156	D	92.6	Very high	92.3	Very high	24 Å²	24	20.5 Å²	20.5	13%	0.128	10%	0.095	C	C	.	.			trans	-69.1	169.5	162.5	68.9	6.2	0	0	0	111.5	I85 G87 H158 A159 F160 E183 F201	I85-D156 PolarHBondContact O-N 2.04Å; G87-D156 PolarHBondContact N-OD1 3.13Å; G87-D156 PolarHBondContact N-OD2 2.78Å; D156-H158 PolarHBondContact O-N 3.31Å; D156-H158 PolarHBondContact OD1-N 2.82Å; D156-A159 PolarHBondContact O-N 3.2Å; D156-A159 WeakPolarHBondContact OD1-CB 3.22Å; D156-A159 PolarHBondContact OD1-N 2.89Å; D156-F160 WeakPolarHBondContact O-CB 3.41Å; D156-F160 PolarHBondContact O-N 3.12Å; D156-E183 VanDerWaalsContact CA-OE1 3.27Å; D156-E183 WeakPolarHBondContact CA-OE1 3.1Å; D156-E183 WeakPolarHBondContact CB-OE1 3.45Å; D156-F201 HydrophobicContact CB-CE1 4Å; D156-F201 HydrophobicContact CB-CZ 4.2Å
157	Y	89.9	Confident	93.9	Very high	107 Å²	107	20 Å²	20	42%	0.42	9%	0.091	S	C	.	.	H	α-helix	trans	-56.4	-38.4	178.2	-177.9	-96.6	0	0	0	113	K161 E183 F482	Y157-K161 HydrophobicContact CD1-CG 4.2Å; Y157-K161 HydrophobicContact CE1-CG 3.8Å; Y157-K161 HydrophobicContact CE2-CG 4.33Å; Y157-K161 WeakPolarHBondContact O-CB 3.28Å; Y157-K161 WeakPolarHBondContact O-CG 3.2Å; Y157-K161 PolarHBondContact O-N 3.07Å; Y157-K161 WeakPolarHBondContact OH-CE 3.43Å; Y157-E183 PolarHBondContact N-OE1 3.11Å; Y157-F482 HydrophobicContact CD1-CD2 4.43Å; Y157-F482 HydrophobicContact CE1-CD1 4.35Å; Y157-F482 HydrophobicContact CE1-CG 4.31Å
158	H	88.7	Confident	94.7	Very high	20 Å²	20	24.7 Å²	24.7	9%	0.093	12%	0.118	C	C	.	.	H	α-helix	trans	-65.7	-52.9	-178.6	-177.1	-58.7	0	0	0	111.2	A88 D156 F160 K161 S162 Y480 F482	A88-H158 VanDerWaalsContact CB-CE1 3.5Å; A88-H158 WeakPolarHBondContact CB-CE1 3.34Å; D156-H158 PolarHBondContact O-N 3.31Å; D156-H158 PolarHBondContact OD1-N 2.82Å; H158-F160 VanDerWaalsContact C-N 3.33Å; H158-F160 PolarHBondContact O-N 3.05Å; H158-K161 PolarHBondContact O-N 2.53Å; H158-S162 PolarHBondContact O-N 3.49Å; H158-Y480 PolarHBondContact CD2-O 2.91Å; H158-Y480 PolarHBondContact NE2-N 3.29Å; H158-F482 HydrophobicContact CB-CE2 4.21Å; H158-F482 AromaticContact CD2-CD2 3.97Å; H158-F482 AromaticContact CD2-CE2 3.47Å; H158-F482 VanDerWaalsContact CD2-CE2 3.47Å; H158-F482 WeakPolarHBondContact CD2-CE2 3.32Å; H158-F482 AromaticContact CG-CE2 3.94Å
159	A	93.5	Very high	95	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-63.5	-39.5	178.3	0	0	0	0	0	110.9	I85 D156 K161 S162 L163	I85-A159 HydrophobicContact CG2-CB 3.83Å; D156-A159 PolarHBondContact O-N 3.2Å; D156-A159 WeakPolarHBondContact OD1-CB 3.22Å; D156-A159 PolarHBondContact OD1-N 2.89Å; A159-K161 PolarHBondContact O-N 3.24Å; A159-S162 PolarHBondContact O-N 2.89Å; A159-L163 HydrophobicContact CB-CD1 4.25Å; A159-L163 VanDerWaalsContact O-CB 3.24Å; A159-L163 WeakPolarHBondContact O-CB 3.19Å; A159-L163 WeakPolarHBondContact O-CG 3.34Å; A159-L163 PolarHBondContact O-N 2.87Å
160	F	94.8	Very high	95	Very high	77 Å²	77	24.5 Å²	24.5	34%	0.338	12%	0.118	S	C	.	.	H	α-helix	trans	-57	-51	174	172.1	-107.6	0	0	0	112.2	D156 H158 S162 L163 S164 F179	D156-F160 WeakPolarHBondContact O-CB 3.41Å; D156-F160 PolarHBondContact O-N 3.12Å; H158-F160 VanDerWaalsContact C-N 3.33Å; H158-F160 PolarHBondContact O-N 3.05Å; F160-S162 PolarHBondContact O-N 2.91Å; F160-L163 PolarHBondContact O-N 3.24Å; F160-S164 WeakPolarHBondContact O-CB 3.46Å; F160-S164 PolarHBondContact O-N 3.34Å; F160-S164 PolarHBondContact O-OG 2.78Å; F160-F179 HydrophobicContact CD2-CB 3.67Å; F160-F179 AromaticContact CD2-CD1 3.6Å; F160-F179 HydrophobicContact CD2-CD1 3.6Å; F160-F179 HydrophobicContact CD2-CD2 4.14Å; F160-F179 HydrophobicContact CD2-CE1 4.23Å; F160-F179 AromaticContact CD2-CG 3.53Å; F160-F179 HydrophobicContact CD2-CG 3.53Å; F160-F179 HydrophobicContact CE2-CB 3.83Å; F160-F179 HydrophobicContact CE2-CD1 4.32Å; F160-F179 HydrophobicContact CE2-CD2 4.04Å; F160-F179 AromaticContact CE2-CG 3.81Å; F160-F179 HydrophobicContact CE2-CG 3.81Å
161	K	91.9	Very high	94.4	Very high	74 Å²	74	29 Å²	29	32%	0.322	14%	0.142	S	C	.	.	H	α-helix	trans	-59.4	-36.5	-179.5	-78.8	-65.1	-171.9	-177	0	113	Y157 H158 A159	Y157-K161 HydrophobicContact CD1-CG 4.2Å; Y157-K161 HydrophobicContact CE1-CG 3.8Å; Y157-K161 HydrophobicContact CE2-CG 4.33Å; Y157-K161 WeakPolarHBondContact O-CB 3.28Å; Y157-K161 WeakPolarHBondContact O-CG 3.2Å; Y157-K161 PolarHBondContact O-N 3.07Å; Y157-K161 WeakPolarHBondContact OH-CE 3.43Å; H158-K161 PolarHBondContact O-N 2.53Å; A159-K161 PolarHBondContact O-N 3.24Å
162	S	94.9	Very high	94	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-75.6	-56.3	178.4	-175.8	0	0	0	0	111.8	H158 A159 F160 L166 H474 P475	H158-S162 PolarHBondContact O-N 3.49Å; A159-S162 PolarHBondContact O-N 2.89Å; F160-S162 PolarHBondContact O-N 2.91Å; S162-L166 PolarHBondContact O-N 2.78Å; S162-H474 PolarHBondContact OG-CD2 2.95Å; S162-H474 PolarHBondContact OG-NE2 2.61Å; S162-P475 VanDerWaalsContact CB-O 3.24Å; S162-P475 WeakPolarHBondContact CB-O 3.12Å; S162-P475 WeakPolarHBondContact O-CD 3.41Å; S162-P475 PolarHBondContact OG-O 2.96Å
163	L	96.7	Very high	93.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-75.6	-31	-169.1	-66.8	172.6	0	0	0	113.6	I85 A91 L94 L153 A159 F160 T165 L166 F167 F179	I85-L163 HydrophobicContact CG2-CD1 3.95Å; A91-L163 HydrophobicContact CB-CD1 4.14Å; A91-L163 HydrophobicContact CB-CD2 3.87Å; A91-L163 HydrophobicContact CB-CG 3.94Å; L94-L163 HydrophobicContact CD2-CD1 3.62Å; L94-L163 HydrophobicContact CD2-CD2 4.02Å; L94-L163 HydrophobicContact CD2-CG 4.45Å; L153-L163 HydrophobicContact CD1-CB 4.49Å; L153-L163 HydrophobicContact CD1-CD1 4.12Å; A159-L163 HydrophobicContact CB-CD1 4.25Å; A159-L163 VanDerWaalsContact O-CB 3.24Å; A159-L163 WeakPolarHBondContact O-CB 3.19Å; A159-L163 WeakPolarHBondContact O-CG 3.34Å; A159-L163 PolarHBondContact O-N 2.87Å; F160-L163 PolarHBondContact O-N 3.24Å; L163-T165 PolarHBondContact O-N 3.43Å; L163-L166 HydrophobicContact CD2-CD2 4.06Å; L163-L166 PolarHBondContact O-N 2.92Å; L163-F167 HydrophobicContact CB-CD2 4.23Å; L163-F167 HydrophobicContact CB-CE2 4.31Å; L163-F167 HydrophobicContact CD2-CE2 4.11Å; L163-F167 VanDerWaalsContact O-CD2 3.28Å; L163-F167 WeakPolarHBondContact O-CD2 3.38Å; L163-F167 PolarHBondContact O-N 2.99Å; L163-F179 HydrophobicContact CB-CE1 3.79Å; L163-F179 HydrophobicContact CB-CZ 3.86Å
164	S	95.9	Very high	92.8	Very high	18 Å²	18	32.9 Å²	32.9	13%	0.126	17%	0.165	C	C	.	.	H	α-helix	trans	-57.4	-51.8	176.2	52.4	0	0	0	0	110.8	F160 L166 F167 D168	F160-S164 WeakPolarHBondContact O-CB 3.46Å; F160-S164 PolarHBondContact O-N 3.34Å; F160-S164 PolarHBondContact O-OG 2.78Å; S164-L166 VanDerWaalsContact C-N 3.33Å; S164-L166 PolarHBondContact O-N 3.49Å; S164-F167 PolarHBondContact O-N 3.08Å; S164-D168 VanDerWaalsContact O-CB 3.31Å; S164-D168 WeakPolarHBondContact O-CB 3.45Å; S164-D168 PolarHBondContact O-N 3.13Å
165	T	95.9	Very high	92.5	Very high	16 Å²	16	33.8 Å²	33.8	10%	0.098	17%	0.169	C	C	.	.	H	α-helix	trans	-62.5	-41.8	176.5	-57.7	0	0	0	0	111.3	L163 D168 T169 I473 P475 Y579	L163-T165 PolarHBondContact O-N 3.43Å; T165-D168 PolarHBondContact O-N 3.18Å; T165-T169 HydrophobicContact CG2-CG2 4.21Å; T165-T169 WeakPolarHBondContact O-CB 3.12Å; T165-T169 VanDerWaalsContact O-CG2 3.3Å; T165-T169 WeakPolarHBondContact O-CG2 3.39Å; T165-T169 PolarHBondContact O-N 2.97Å; T165-T169 PolarHBondContact O-OG1 3.06Å; T165-I473 HydrophobicContact CG2-CB 4Å; T165-I473 HydrophobicContact CG2-CG2 3.88Å; T165-P475 HydrophobicContact CG2-CG 3.7Å; T165-Y579 WeakPolarHBondContact CB-OH 3.41Å; T165-Y579 WeakPolarHBondContact CG2-OH 3.37Å; T165-Y579 PolarHBondContact OG1-OH 3.46Å
166	L	96.8	Very high	92.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-58.8	-53.8	179.4	178.1	64.5	0	0	0	111.9	V95 S162 L163 S164 T169 W170 R472 I473 H474 Y561	V95-L166 HydrophobicContact CG2-CD2 3.37Å; S162-L166 PolarHBondContact O-N 2.78Å; L163-L166 HydrophobicContact CD2-CD2 4.06Å; L163-L166 PolarHBondContact O-N 2.92Å; S164-L166 VanDerWaalsContact C-N 3.33Å; S164-L166 PolarHBondContact O-N 3.49Å; L166-T169 PolarHBondContact O-N 2.79Å; L166-T169 PolarHBondContact O-OG1 3.45Å; L166-W170 HydrophobicContact CG-CE3 4.29Å; L166-W170 WeakPolarHBondContact O-CB 3.07Å; L166-W170 PolarHBondContact O-N 2.92Å; L166-R472 HydrophobicContact CD1-CG 3.54Å; L166-I473 WeakPolarHBondContact CA-O 3.4Å; L166-I473 PolarHBondContact N-O 3.26Å; L166-H474 HydrophobicContact CD1-CB 4.07Å; L166-Y561 HydrophobicContact CD1-CE2 4.36Å
167	F	95.5	Very high	92.7	Very high	15 Å²	15	35.3 Å²	35.3	7%	0.066	18%	0.178	C	C	.	.	H	α-helix	trans	-71.1	-32.5	-177	-74.9	-69.3	0	0	0	112.8	L94 I98 L151 L153 L163 S164 T169 W170 I172 F175 V177 F179	L94-F167 HydrophobicContact CD2-CE2 3.93Å; L94-F167 HydrophobicContact CD2-CZ 4.13Å; L94-F167 HydrophobicContact CG-CZ 4.45Å; I98-F167 HydrophobicContact CG1-CE1 4.37Å; I98-F167 HydrophobicContact CG1-CZ 4.11Å; I98-F167 HydrophobicContact CG2-CE1 4.44Å; L151-F167 HydrophobicContact CD2-CE1 4.21Å; L151-F167 HydrophobicContact CD2-CE2 4.03Å; L151-F167 HydrophobicContact CD2-CZ 3.71Å; L153-F167 HydrophobicContact CD1-CD2 4.33Å; L153-F167 HydrophobicContact CD1-CE2 3.94Å; L163-F167 HydrophobicContact CB-CD2 4.23Å; L163-F167 HydrophobicContact CB-CE2 4.31Å; L163-F167 HydrophobicContact CD2-CE2 4.11Å; L163-F167 VanDerWaalsContact O-CD2 3.28Å; L163-F167 WeakPolarHBondContact O-CD2 3.38Å; L163-F167 PolarHBondContact O-N 2.99Å; S164-F167 PolarHBondContact O-N 3.08Å; F167-T169 VanDerWaalsContact C-N 3.32Å; F167-T169 PolarHBondContact O-N 3.42Å; F167-W170 HydrophobicContact CD1-CE3 4.04Å; F167-W170 AromaticContact CE1-CE3 3.91Å; F167-W170 HydrophobicContact CE1-CE3 3.91Å; F167-W170 AromaticContact CE1-CZ3 3.92Å; F167-W170 HydrophobicContact CE1-CZ3 3.92Å; F167-I172 HydrophobicContact CD1-CD1 4.24Å; F167-I172 HydrophobicContact CE1-CD1 4.32Å; F167-F175 AromaticContact CD1-CE1 3.97Å; F167-F175 HydrophobicContact CD1-CE1 3.97Å; F167-F175 AromaticContact CE1-CE1 3.79Å; F167-F175 HydrophobicContact CE1-CE1 3.79Å; F167-F175 HydrophobicContact CE1-CZ 4.33Å; F167-V177 HydrophobicContact CB-CB 4.28Å; F167-V177 HydrophobicContact CB-CG2 3.73Å; F167-V177 HydrophobicContact CD1-CG2 3.81Å; F167-V177 HydrophobicContact CD2-CG1 4.1Å; F167-V177 HydrophobicContact CD2-CG2 4.13Å; F167-V177 HydrophobicContact CE1-CG2 4.44Å; F167-V177 HydrophobicContact CG-CB 4.42Å; F167-V177 HydrophobicContact CG-CG1 4.39Å; F167-V177 HydrophobicContact CG-CG2 3.63Å; F167-F179 HydrophobicContact CD2-CZ 4.48Å
168	D	93.6	Very high	93.1	Very high	116 Å²	116	34.4 Å²	34.4	62%	0.62	17%	0.174	S	C	*	.	H	α-helix	trans	-63.5	-38.7	173.5	-72.4	-18	0	0	0	111.9	S164 T165	S164-D168 VanDerWaalsContact O-CB 3.31Å; S164-D168 WeakPolarHBondContact O-CB 3.45Å; S164-D168 PolarHBondContact O-N 3.13Å; T165-D168 PolarHBondContact O-N 3.18Å
169	T	94.4	Very high	93.5	Very high	20 Å²	20	36 Å²	36	12%	0.123	18%	0.181	C	C	.	.	H	α-helix	trans	-92.2	-15.3	-177.9	59.9	0	0	0	0	113.8	T165 L166 F167 H471 I473	T165-T169 HydrophobicContact CG2-CG2 4.21Å; T165-T169 WeakPolarHBondContact O-CB 3.12Å; T165-T169 VanDerWaalsContact O-CG2 3.3Å; T165-T169 WeakPolarHBondContact O-CG2 3.39Å; T165-T169 PolarHBondContact O-N 2.97Å; T165-T169 PolarHBondContact O-OG1 3.06Å; L166-T169 PolarHBondContact O-N 2.79Å; L166-T169 PolarHBondContact O-OG1 3.45Å; F167-T169 VanDerWaalsContact C-N 3.32Å; F167-T169 PolarHBondContact O-N 3.42Å; T169-H471 WeakPolarHBondContact CB-O 3.31Å; T169-I473 HydrophobicContact CG2-CB 4.38Å; T169-I473 HydrophobicContact CG2-CD1 3.99Å; T169-I473 PolarHBondContact OG1-N 3.27Å
170	W	93.6	Very high	93.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-74.9	-27	175.9	-161.9	-6.2	0	0	0	111.5	V95 I98 K99 L166 F167 I172 G421 V424 Q425 R472	V95-W170 HydrophobicContact CG1-CH2 3.89Å; V95-W170 HydrophobicContact CG1-CZ3 4.09Å; I98-W170 HydrophobicContact CB-CH2 4.45Å; I98-W170 HydrophobicContact CG2-CH2 4.05Å; I98-W170 HydrophobicContact CG2-CZ3 4.16Å; K99-W170 HydrophobicContact CG-CH2 4Å; K99-W170 HydrophobicContact CG-CZ2 4.06Å; L166-W170 HydrophobicContact CG-CE3 4.29Å; L166-W170 WeakPolarHBondContact O-CB 3.07Å; L166-W170 PolarHBondContact O-N 2.92Å; F167-W170 HydrophobicContact CD1-CE3 4.04Å; F167-W170 AromaticContact CE1-CE3 3.91Å; F167-W170 HydrophobicContact CE1-CE3 3.91Å; F167-W170 AromaticContact CE1-CZ3 3.92Å; F167-W170 HydrophobicContact CE1-CZ3 3.92Å; W170-I172 HydrophobicContact CB-CD1 4.41Å; W170-I172 HydrophobicContact CB-CG1 4.25Å; W170-I172 HydrophobicContact CD2-CD1 3.5Å; W170-I172 VanDerWaalsContact CD2-CD1 3.5Å; W170-I172 HydrophobicContact CD2-CG1 3.85Å; W170-I172 HydrophobicContact CE3-CD1 3.62Å; W170-I172 HydrophobicContact CE3-CG1 4.46Å; W170-I172 HydrophobicContact CG-CD1 3.85Å; W170-I172 HydrophobicContact CG-CG1 3.71Å; W170-I172 HydrophobicContact CH2-CD1 4.41Å; W170-I172 HydrophobicContact CZ2-CD1 4.34Å; W170-I172 HydrophobicContact CZ3-CD1 4.08Å; W170-I172 PolarHBondContact O-N 3.42Å; W170-G421 PolarHBondContact NE1-O 3.33Å; W170-V424 HydrophobicContact CZ2-CG2 3.85Å; W170-Q425 VanDerWaalsContact O-CG 3.25Å; W170-Q425 WeakPolarHBondContact O-CG 3.32Å; W170-Q425 PolarHBondContact O-NE2 2.78Å; W170-R472 HydrophobicContact CB-CG 3.99Å; W170-R472 HydrophobicContact CG-CG 4.1Å
171	N	85.7	Confident	93.8	Very high	116 Å²	116	39 Å²	39	62%	0.62	19%	0.194	S	C	*	.			trans	52.7	50.2	174.1	-167.4	30.3	0	0	0	113.8
172	I	88.9	Confident	93.8	Very high	16 Å²	16	35.5 Å²	35.5	8%	0.082	18%	0.179	C	C	.	.			trans	-77.6	127.4	179.3	-59.1	160.2	0	0	0	109.4	I98 L102 F167 W170 F175	I98-I172 HydrophobicContact CG2-CD1 4.43Å; L102-I172 HydrophobicContact CD1-CD1 3.92Å; L102-I172 HydrophobicContact CD1-CG1 4.33Å; L102-I172 HydrophobicContact CD1-CG2 3.9Å; L102-I172 HydrophobicContact CD2-CG2 4.08Å; F167-I172 HydrophobicContact CD1-CD1 4.24Å; F167-I172 HydrophobicContact CE1-CD1 4.32Å; W170-I172 HydrophobicContact CB-CD1 4.41Å; W170-I172 HydrophobicContact CB-CG1 4.25Å; W170-I172 HydrophobicContact CD2-CD1 3.5Å; W170-I172 VanDerWaalsContact CD2-CD1 3.5Å; W170-I172 HydrophobicContact CD2-CG1 3.85Å; W170-I172 HydrophobicContact CE3-CD1 3.62Å; W170-I172 HydrophobicContact CE3-CG1 4.46Å; W170-I172 HydrophobicContact CG-CD1 3.85Å; W170-I172 HydrophobicContact CG-CG1 3.71Å; W170-I172 HydrophobicContact CH2-CD1 4.41Å; W170-I172 HydrophobicContact CZ2-CD1 4.34Å; W170-I172 HydrophobicContact CZ3-CD1 4.08Å; W170-I172 PolarHBondContact O-N 3.42Å; I172-F175 HydrophobicContact CB-CB 3.85Å; I172-F175 HydrophobicContact CB-CD1 4.48Å; I172-F175 HydrophobicContact CB-CG 4.21Å; I172-F175 HydrophobicContact CD1-CD1 4.23Å; I172-F175 HydrophobicContact CD1-CE1 4.42Å; I172-F175 HydrophobicContact CD1-CG 4.48Å; I172-F175 HydrophobicContact CG2-CB 3.6Å; I172-F175 HydrophobicContact CG2-CD2 4.27Å; I172-F175 HydrophobicContact CG2-CG 3.97Å
173	P	85.3	Confident	93.7	Very high	32 Å²	32	38.9 Å²	38.9	21%	0.208	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	139.1	-179.2	25.9	-33.5	0	0	0	112.7	R105 F175	R105-P173 PolarHBondContact NH1-O 2.79Å; R105-P173 VanDerWaalsContact NH1-O 3.16Å; P173-F175 VanDerWaalsContact C-N 3.27Å; P173-F175 PolarHBondContact O-N 3.24Å
174	N	87	Confident	93.6	Very high	38 Å²	38	43.8 Å²	43.8	20%	0.203	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	43.4	178.1	-61.8	-49.1	0	0	0	112.4	W107 R147 I149	W107-N174 HydrophobicContact CH2-CB 4.48Å; R147-N174 WeakPolarHBondContact O-CB 3.34Å; I149-N174 PolarHBondContact N-O 3.44Å; I149-N174 VanDerWaalsContact N-O 3.08Å
175	F	91.7	Very high	93.6	Very high	18 Å²	18	45.7 Å²	45.7	8%	0.079	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	109.4	-176.7	-165.8	-85.3	0	0	0	109.2	I98 L102 I149 L151 F167 I172 P173 V177	I98-F175 HydrophobicContact CD1-CZ 3.97Å; I98-F175 HydrophobicContact CG1-CZ 4.46Å; I98-F175 HydrophobicContact CG2-CE2 4.35Å; I98-F175 HydrophobicContact CG2-CZ 4.09Å; L102-F175 HydrophobicContact CD2-CD2 4.12Å; L102-F175 HydrophobicContact CD2-CE2 4.33Å; I149-F175 HydrophobicContact CB-CD2 3.69Å; I149-F175 HydrophobicContact CB-CE2 3.93Å; I149-F175 HydrophobicContact CD1-CD2 4.24Å; I149-F175 HydrophobicContact CD1-CE2 4.23Å; I149-F175 HydrophobicContact CG1-CD2 4.5Å; I149-F175 HydrophobicContact CG2-CD2 3.87Å; I149-F175 HydrophobicContact CG2-CE2 3.57Å; I149-F175 HydrophobicContact CG2-CZ 4.32Å; I149-F175 CarbonylContact O-C 3.5Å; I149-F175 WeakPolarHBondContact O-CA 3.26Å; L151-F175 HydrophobicContact CB-CE1 4Å; L151-F175 HydrophobicContact CB-CZ 3.94Å; L151-F175 HydrophobicContact CD2-CE1 3.94Å; L151-F175 HydrophobicContact CD2-CZ 3.86Å; L151-F175 HydrophobicContact CG-CZ 4.4Å; F167-F175 AromaticContact CD1-CE1 3.97Å; F167-F175 HydrophobicContact CD1-CE1 3.97Å; F167-F175 AromaticContact CE1-CE1 3.79Å; F167-F175 HydrophobicContact CE1-CE1 3.79Å; F167-F175 HydrophobicContact CE1-CZ 4.33Å; I172-F175 HydrophobicContact CB-CB 3.85Å; I172-F175 HydrophobicContact CB-CD1 4.48Å; I172-F175 HydrophobicContact CB-CG 4.21Å; I172-F175 HydrophobicContact CD1-CD1 4.23Å; I172-F175 HydrophobicContact CD1-CE1 4.42Å; I172-F175 HydrophobicContact CD1-CG 4.48Å; I172-F175 HydrophobicContact CG2-CB 3.6Å; I172-F175 HydrophobicContact CG2-CD2 4.27Å; I172-F175 HydrophobicContact CG2-CG 3.97Å; P173-F175 VanDerWaalsContact C-N 3.27Å; P173-F175 PolarHBondContact O-N 3.24Å; F175-V177 HydrophobicContact CD1-CG2 3.79Å; F175-V177 HydrophobicContact CE1-CG2 3.54Å
176	N	95.3	Very high	93.4	Very high	34 Å²	34	47 Å²	47	18%	0.182	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	143.7	176.7	-73.5	-26.6	0	0	0	110.1	H148 I149 N150 L151 Y178	H148-N176 PolarHBondContact CE1-ND2 3.13Å; H148-N176 PolarHBondContact NE2-ND2 3.17Å; I149-N176 PolarHBondContact O-N 2.75Å; N150-N176 CarbonylContact C-O 3.57Å; L151-N176 PolarHBondContact N-O 3.38Å; N176-Y178 HydrophobicContact CB-CE2 3.73Å
177	V	97.4	Very high	93.3	Very high	25 Å²	25	52.9 Å²	52.9	15%	0.152	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	134	176.3	-170.4	0	0	0	0	109.9	L151 L153 F167 F175 F179	L151-V177 HydrophobicContact CB-CG1 4.45Å; L151-V177 HydrophobicContact CB-CG2 4.23Å; L151-V177 HydrophobicContact CD2-CG1 4.23Å; L151-V177 HydrophobicContact CD2-CG2 4.26Å; L151-V177 CarbonylContact O-C 3.52Å; L151-V177 WeakPolarHBondContact O-CA 3.44Å; L153-V177 HydrophobicContact CD1-CG1 3.69Å; L153-V177 HydrophobicContact CG-CG1 4.16Å; F167-V177 HydrophobicContact CB-CB 4.28Å; F167-V177 HydrophobicContact CB-CG2 3.73Å; F167-V177 HydrophobicContact CD1-CG2 3.81Å; F167-V177 HydrophobicContact CD2-CG1 4.1Å; F167-V177 HydrophobicContact CD2-CG2 4.13Å; F167-V177 HydrophobicContact CE1-CG2 4.44Å; F167-V177 HydrophobicContact CG-CB 4.42Å; F167-V177 HydrophobicContact CG-CG1 4.39Å; F167-V177 HydrophobicContact CG-CG2 3.63Å; F175-V177 HydrophobicContact CD1-CG2 3.79Å; F175-V177 HydrophobicContact CE1-CG2 3.54Å; V177-F179 HydrophobicContact CB-CE2 4.42Å; V177-F179 HydrophobicContact CG1-CD2 4.26Å; V177-F179 HydrophobicContact CG1-CE2 3.64Å; V177-F179 HydrophobicContact CG1-CZ 3.82Å
178	Y	98	Very high	93.3	Very high	87 Å²	87	55.8 Å²	55.8	34%	0.341	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	134.8	178.7	-57.2	-85.7	0	0	0	108.7	N150 L151 H152 L153 N176	N150-Y178 HydrophobicContact CB-CD2 4.48Å; N150-Y178 HydrophobicContact CB-CE2 4.04Å; L151-Y178 PolarHBondContact O-N 3.23Å; H152-Y178 AromaticContact CE1-CD2 3.78Å; L153-Y178 PolarHBondContact N-O 3.39Å; N176-Y178 HydrophobicContact CB-CE2 3.73Å
179	F	97.7	Very high	93.4	Very high	53 Å²	53	50.2 Å²	50.2	23%	0.232	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	137.6	-179	-69.9	-88.2	0	0	0	111	L153 F160 L163 F167 V177	L153-F179 HydrophobicContact CB-CD1 3.88Å; L153-F179 HydrophobicContact CB-CE1 4.05Å; L153-F179 HydrophobicContact CD1-CD1 4.18Å; L153-F179 HydrophobicContact CD1-CE1 3.5Å; L153-F179 VanDerWaalsContact CD1-CE1 3.5Å; L153-F179 HydrophobicContact CD1-CZ 3.81Å; L153-F179 HydrophobicContact CG-CE1 4.39Å; L153-F179 CarbonylContact O-C 3.42Å; L153-F179 WeakPolarHBondContact O-CA 3.5Å; F160-F179 HydrophobicContact CD2-CB 3.67Å; F160-F179 AromaticContact CD2-CD1 3.6Å; F160-F179 HydrophobicContact CD2-CD1 3.6Å; F160-F179 HydrophobicContact CD2-CD2 4.14Å; F160-F179 HydrophobicContact CD2-CE1 4.23Å; F160-F179 AromaticContact CD2-CG 3.53Å; F160-F179 HydrophobicContact CD2-CG 3.53Å; F160-F179 HydrophobicContact CE2-CB 3.83Å; F160-F179 HydrophobicContact CE2-CD1 4.32Å; F160-F179 HydrophobicContact CE2-CD2 4.04Å; F160-F179 AromaticContact CE2-CG 3.81Å; F160-F179 HydrophobicContact CE2-CG 3.81Å; L163-F179 HydrophobicContact CB-CE1 3.79Å; L163-F179 HydrophobicContact CB-CZ 3.86Å; F167-F179 HydrophobicContact CD2-CZ 4.48Å; V177-F179 HydrophobicContact CB-CE2 4.42Å; V177-F179 HydrophobicContact CG1-CD2 4.26Å; V177-F179 HydrophobicContact CG1-CE2 3.64Å; V177-F179 HydrophobicContact CG1-CZ 3.82Å
180	Y	97.5	Very high	93.4	Very high	38 Å²	38	52.4 Å²	52.4	15%	0.149	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	122.8	177.5	-54.7	-88.1	0	0	0	108.7	H152 L153 I154 S155 L182 I211 L212 P213	H152-Y180 HydrophobicContact CB-CD2 4.43Å; H152-Y180 HydrophobicContact CB-CE2 3.7Å; H152-Y180 AromaticContact ND1-CE2 3.54Å; H152-Y180 AromaticContact ND1-CZ 3.62Å; H152-Y180 PolarHBondContact ND1-OH 3.18Å; L153-Y180 PolarHBondContact O-N 2.75Å; I154-Y180 WeakPolarHBondContact CA-O 3.4Å; I154-Y180 HydrophobicContact CG1-CD2 4.4Å; S155-Y180 PolarHBondContact N-O 2.72Å; Y180-L182 PolarHBondContact O-N 2.96Å; Y180-I211 HydrophobicContact CD1-CG2 4.11Å; Y180-I211 HydrophobicContact CG-CG2 3.88Å; Y180-L212 HydrophobicContact CD2-CD2 3.85Å; Y180-L212 HydrophobicContact CE1-CD2 4.28Å; Y180-L212 HydrophobicContact CE2-CD2 3.51Å; Y180-L212 HydrophobicContact CG-CD2 4.37Å; Y180-P213 HydrophobicContact CE1-CG 4.5Å; Y180-P213 WeakPolarHBondContact OH-CD 3.3Å
181	Q	95.1	Very high	93.5	Very high	103 Å²	103	55.8 Å²	55.8	48%	0.481	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	111.8	-174.6	-174	177.3	-5	0	0	110.6	E183 L184 Y185	Q181-E183 VanDerWaalsContact C-N 3.34Å; Q181-E183 HydrophobicContact CG-CB 4.48Å; Q181-E183 WeakPolarHBondContact CG-OE2 3.49Å; Q181-E183 PolarHBondContact O-N 3.24Å; Q181-L184 HydrophobicContact CB-CD1 4.1Å; Q181-L184 HydrophobicContact CB-CG 4.25Å; Q181-L184 HydrophobicContact CG-CG 4.24Å; Q181-Y185 WeakPolarHBondContact O-CD2 3.46Å
182	L	93.7	Very high	94	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.005	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-66.4	-35.2	-174.2	178.9	59	0	0	0	112.7	V84 I154 S155 Y180 L184 Y185 L186 F201 S204	V84-L182 HydrophobicContact CG1-CD2 4.27Å; I154-L182 HydrophobicContact CG2-CB 4.13Å; I154-L182 HydrophobicContact CG2-CD1 3.74Å; I154-L182 HydrophobicContact CG2-CG 4.44Å; S155-L182 PolarHBondContact O-N 2.95Å; Y180-L182 PolarHBondContact O-N 2.96Å; L182-L184 PolarHBondContact O-N 2.87Å; L182-L184 VanDerWaalsContact O-N 3.08Å; L182-Y185 PolarHBondContact O-N 3.46Å; L182-L186 HydrophobicContact CD1-CD2 4.12Å; L182-L186 HydrophobicContact CD2-CD2 4.1Å; L182-L186 HydrophobicContact CG-CD2 3.81Å; L182-L186 HydrophobicContact CG-CG 4.18Å; L182-L186 PolarHBondContact O-N 3.06Å; L182-F201 HydrophobicContact CD2-CD1 3.36Å; L182-F201 HydrophobicContact CD2-CE1 3.5Å; L182-F201 VanDerWaalsContact CD2-CE1 3.5Å; L182-F201 HydrophobicContact CD2-CG 4.49Å; L182-S204 WeakPolarHBondContact CD1-OG 3.35Å
183	E	92.3	Very high	94.3	Very high	70 Å²	70	52.6 Å²	52.6	33%	0.327	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-57.7	-28.8	-175.4	-65	84.2	173.3	0	0	113.2	D156 Y157 Q181 Y185 L186	D156-E183 VanDerWaalsContact CA-OE1 3.27Å; D156-E183 WeakPolarHBondContact CA-OE1 3.1Å; D156-E183 WeakPolarHBondContact CB-OE1 3.45Å; Y157-E183 PolarHBondContact N-OE1 3.11Å; Q181-E183 VanDerWaalsContact C-N 3.34Å; Q181-E183 HydrophobicContact CG-CB 4.48Å; Q181-E183 WeakPolarHBondContact CG-OE2 3.49Å; Q181-E183 PolarHBondContact O-N 3.24Å; E183-Y185 PolarHBondContact O-N 3.44Å; E183-L186 HydrophobicContact CG-CD1 4.45Å
184	L	95.1	Very high	94.6	Very high	103 Å²	103	52.9 Å²	52.9	54%	0.539	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-64.5	-24.1	177.7	-61.7	178.1	0	0	0	112.7	Q181 L182 H187	Q181-L184 HydrophobicContact CB-CD1 4.1Å; Q181-L184 HydrophobicContact CB-CG 4.25Å; Q181-L184 HydrophobicContact CG-CG 4.24Å; L182-L184 PolarHBondContact O-N 2.87Å; L182-L184 VanDerWaalsContact O-N 3.08Å; L184-H187 PolarHBondContact O-CE1 2.77Å; L184-H187 PolarHBondContact O-ND1 2.76Å; L184-H187 VanDerWaalsContact O-ND1 3.1Å
185	Y	95.3	Very high	94.8	Very high	58 Å²	58	55 Å²	55	23%	0.227	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-11.7	-171.6	-60.8	-91.8	0	0	0	113.6	Q181 L182 E183 H187 K188 I211	Q181-Y185 WeakPolarHBondContact O-CD2 3.46Å; L182-Y185 PolarHBondContact O-N 3.46Å; E183-Y185 PolarHBondContact O-N 3.44Å; Y185-H187 PolarHBondContact O-N 2.9Å; Y185-H187 VanDerWaalsContact O-N 3.1Å; Y185-K188 WeakPolarHBondContact O-CB 3.31Å; Y185-K188 PolarHBondContact O-N 2.78Å; Y185-I211 HydrophobicContact CD1-CD1 4.36Å; Y185-I211 HydrophobicContact CD1-CG1 3.64Å; Y185-I211 HydrophobicContact CD2-CD1 4.06Å; Y185-I211 HydrophobicContact CD2-CG1 3.77Å; Y185-I211 HydrophobicContact CE1-CG1 3.79Å; Y185-I211 HydrophobicContact CE2-CG1 3.94Å; Y185-I211 HydrophobicContact CE2-CG2 4.29Å; Y185-I211 HydrophobicContact CG-CD1 3.91Å; Y185-I211 HydrophobicContact CG-CG1 3.62Å
186	L	92.2	Very high	94.6	Very high	44 Å²	44	55.7 Å²	55.7	23%	0.23	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-55.5	-33.5	-176	-73.3	179.1	0	0	0	113.6	L182 E183 K188 V189 S190 L200	L182-L186 HydrophobicContact CD1-CD2 4.12Å; L182-L186 HydrophobicContact CD2-CD2 4.1Å; L182-L186 HydrophobicContact CG-CD2 3.81Å; L182-L186 HydrophobicContact CG-CG 4.18Å; L182-L186 PolarHBondContact O-N 3.06Å; E183-L186 HydrophobicContact CG-CD1 4.45Å; L186-K188 PolarHBondContact O-N 3.5Å; L186-K188 VanDerWaalsContact O-N 3.12Å; L186-V189 PolarHBondContact O-N 3.33Å; L186-V189 VanDerWaalsContact O-N 3.11Å; L186-S190 VanDerWaalsContact O-CB 3.28Å; L186-S190 WeakPolarHBondContact O-CB 3.19Å; L186-S190 PolarHBondContact O-N 3.12Å; L186-S190 PolarHBondContact O-OG 3.49Å; L186-L200 HydrophobicContact CD2-CB 4.02Å; L186-L200 HydrophobicContact CD2-CD1 4.26Å
187	H	94.5	Very high	94.1	Very high	123 Å²	123	59.5 Å²	59.5	57%	0.569	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-56.6	-28.8	177.6	69.3	-84.9	0	0	0	112.8	L184 Y185 V189 S190	L184-H187 PolarHBondContact O-CE1 2.77Å; L184-H187 PolarHBondContact O-ND1 2.76Å; L184-H187 VanDerWaalsContact O-ND1 3.1Å; Y185-H187 PolarHBondContact O-N 2.9Å; Y185-H187 VanDerWaalsContact O-N 3.1Å; H187-V189 VanDerWaalsContact C-N 3.32Å; H187-V189 PolarHBondContact O-N 3.35Å; H187-S190 PolarHBondContact O-OG 3.35Å
188	K	95.3	Very high	93.4	Very high	76 Å²	76	60.2 Å²	60.2	33%	0.33	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-72.6	-19.2	-179.6	-60	-165.2	179.9	-167.2	0	114.5	Y185 L186 W191 L207 E210	Y185-K188 WeakPolarHBondContact O-CB 3.31Å; Y185-K188 PolarHBondContact O-N 2.78Å; L186-K188 PolarHBondContact O-N 3.5Å; L186-K188 VanDerWaalsContact O-N 3.12Å; K188-W191 PolarHBondContact O-NE1 2.95Å; K188-L207 HydrophobicContact CB-CD1 4.19Å; K188-L207 HydrophobicContact CB-CD2 3.96Å; K188-L207 HydrophobicContact CD-CD2 4.31Å; K188-E210 VanDerWaalsContact CD-OE2 3.24Å; K188-E210 WeakPolarHBondContact CD-OE2 3.46Å; K188-E210 WeakPolarHBondContact CE-OE2 3.4Å; K188-E210 IonicContact NZ-OE2 2.72Å; K188-E210 PolarHBondContact NZ-OE2 2.9Å
189	V	95.3	Very high	92.8	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.6	-16.6	-178.8	-68.5	0	0	0	0	113.5	L186 H187 W191 I192 L203 L207 W295	L186-V189 PolarHBondContact O-N 3.33Å; L186-V189 VanDerWaalsContact O-N 3.11Å; H187-V189 VanDerWaalsContact C-N 3.32Å; H187-V189 PolarHBondContact O-N 3.35Å; V189-W191 PolarHBondContact O-N 3.46Å; V189-I192 HydrophobicContact CB-CD1 4.31Å; V189-I192 HydrophobicContact CG1-CD1 4.39Å; V189-I192 WeakPolarHBondContact O-CB 3.48Å; V189-I192 WeakPolarHBondContact O-CG1 3.29Å; V189-I192 PolarHBondContact O-N 3.39Å; V189-L203 HydrophobicContact CB-CB 4Å; V189-L203 HydrophobicContact CG1-CB 4.36Å; V189-L203 HydrophobicContact CG2-CB 4.25Å; V189-L207 HydrophobicContact CG1-CD1 3.82Å; V189-L207 HydrophobicContact CG1-CD2 3.9Å; V189-L207 HydrophobicContact CG1-CG 3.85Å; V189-L207 HydrophobicContact CG2-CD1 4.15Å; V189-W295 HydrophobicContact CG1-CH2 4.25Å
190	S	94.7	Very high	92.4	Very high	66 Å²	66	58 Å²	58	46%	0.462	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-21.3	-178.1	62.2	0	0	0	0	115.2	L186 H187 I192	L186-S190 VanDerWaalsContact O-CB 3.28Å; L186-S190 WeakPolarHBondContact O-CB 3.19Å; L186-S190 PolarHBondContact O-N 3.12Å; L186-S190 PolarHBondContact O-OG 3.49Å; H187-S190 PolarHBondContact O-OG 3.35Å; S190-I192 VanDerWaalsContact C-N 3.26Å; S190-I192 PolarHBondContact O-N 3.45Å
191	W	95.6	Very high	92.1	Very high	70 Å²	70	59.7 Å²	59.7	27%	0.265	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-9.6	176.8	64	-90.1	0	0	0	113.6	K188 V189 P193 W295 Y296 T299 K300 L303	K188-W191 PolarHBondContact O-NE1 2.95Å; V189-W191 PolarHBondContact O-N 3.46Å; W191-P193 WeakPolarHBondContact O-CD 3.47Å; W191-W295 HydrophobicContact CZ2-CZ3 4.31Å; W191-Y296 AromaticContact CE2-CE2 3.93Å; W191-Y296 HydrophobicContact CH2-CD2 4.33Å; W191-Y296 HydrophobicContact CH2-CE2 4.24Å; W191-Y296 AromaticContact CZ2-CD2 3.57Å; W191-Y296 HydrophobicContact CZ2-CD2 3.57Å; W191-Y296 AromaticContact CZ2-CE2 3.53Å; W191-Y296 HydrophobicContact CZ2-CE2 3.53Å; W191-T299 HydrophobicContact CH2-CG2 3.61Å; W191-T299 HydrophobicContact CZ2-CG2 4.41Å; W191-T299 HydrophobicContact CZ3-CG2 4.08Å; W191-K300 HydrophobicContact CE3-CD 4.35Å; W191-K300 HydrophobicContact CH2-CD 3.83Å; W191-K300 HydrophobicContact CH2-CG 3.84Å; W191-K300 HydrophobicContact CZ3-CD 3.55Å; W191-K300 HydrophobicContact CZ3-CG 4.08Å; W191-L303 HydrophobicContact CE3-CD1 4.24Å; W191-L303 HydrophobicContact CH2-CD1 4.47Å; W191-L303 HydrophobicContact CZ3-CD1 3.61Å
192	I	96	Very high	91.8	Very high	4 Å²	4	55.1 Å²	55.1	2%	0.021	29%	0.289	C	S	.	.	S	Bend	trans	-89.6	113.7	-179	-55.1	169.6	0	0	0	108.5	V189 S190 S194 L203 W295 T299 I316	V189-I192 HydrophobicContact CB-CD1 4.31Å; V189-I192 HydrophobicContact CG1-CD1 4.39Å; V189-I192 WeakPolarHBondContact O-CB 3.48Å; V189-I192 WeakPolarHBondContact O-CG1 3.29Å; V189-I192 PolarHBondContact O-N 3.39Å; S190-I192 VanDerWaalsContact C-N 3.26Å; S190-I192 PolarHBondContact O-N 3.45Å; I192-S194 PolarHBondContact O-N 2.98Å; I192-L203 HydrophobicContact CB-CD1 3.97Å; I192-L203 HydrophobicContact CD1-CD2 4.39Å; I192-L203 HydrophobicContact CG2-CD1 4.23Å; I192-L203 HydrophobicContact CG2-CD2 4.1Å; I192-W295 HydrophobicContact CD1-CZ3 4.03Å; I192-T299 HydrophobicContact CD1-CG2 4.08Å; I192-T299 HydrophobicContact CG1-CG2 4.07Å; I192-T299 HydrophobicContact CG2-CG2 4.27Å; I192-I316 HydrophobicContact CD1-CD1 3.94Å; I192-I316 HydrophobicContact CG2-CD1 4.04Å
193	P	95	Very high	91.8	Very high	62 Å²	62	55.1 Å²	55.1	40%	0.403	29%	0.289	S	S	.	.			trans	-64.7	129.1	175.1	-19.2	33.5	0	0	0	110.3	W191 P307 Y308 S309	W191-P193 WeakPolarHBondContact O-CD 3.47Å; P193-P307 WeakPolarHBondContact CB-O 3.25Å; P193-Y308 CarbonylContact O-C 3.59Å; P193-Y308 VanDerWaalsContact O-CA 3.31Å; P193-Y308 WeakPolarHBondContact O-CA 3.31Å; P193-Y308 WeakPolarHBondContact O-CB 3.12Å; P193-S309 PolarHBondContact O-N 3.12Å
194	S	92.4	Very high	92	Very high	38 Å²	38	51.8 Å²	51.8	27%	0.266	27%	0.273	S	S	.	.	B	Isolated β-bridge	trans	-139	139.1	179	179.8	0	0	0	0	110.7	I192 H196 S309	I192-S194 PolarHBondContact O-N 2.98Å; S194-H196 WeakPolarHBondContact OG-CB 3.37Å; S194-H196 PolarHBondContact OG-N 3.35Å; S194-S309 WeakPolarHBondContact CA-O 3.49Å; S194-S309 PolarHBondContact OG-O 3.35Å
195	T	91.4	Very high	92	Very high	82 Å²	82	47.5 Å²	47.5	50%	0.503	25%	0.25	S	S	.	.			trans	-102.5	3.4	173.6	55.4	0	0	0	0	112.2	Y308 S309	T195-Y308 HydrophobicContact CG2-CD1 4.44Å; T195-Y308 HydrophobicContact CG2-CD2 3.6Å; T195-Y308 HydrophobicContact CG2-CE2 3.83Å; T195-Y308 HydrophobicContact CG2-CG 3.94Å; T195-S309 PolarHBondContact N-O 2.89Å; T195-S309 PolarHBondContact OG1-O 2.89Å
196	H	87.5	Confident	92	Very high	33 Å²	33	44.9 Å²	44.9	15%	0.153	24%	0.24	C	C	.	.			trans	-65.4	138.5	-178.7	-170	-98.6	0	0	0	111.2	S194 S198 G199 M310 A312	S194-H196 WeakPolarHBondContact OG-CB 3.37Å; S194-H196 PolarHBondContact OG-N 3.35Å; H196-S198 PolarHBondContact CE1-OG 3.12Å; H196-S198 VanDerWaalsContact CE1-OG 3.23Å; H196-S198 WeakPolarHBondContact ND1-CB 3.3Å; H196-S198 PolarHBondContact ND1-N 3.45Å; H196-S198 VanDerWaalsContact ND1-N 3.2Å; H196-S198 PolarHBondContact ND1-OG 3.46Å; H196-S198 PolarHBondContact O-N 3.21Å; H196-S198 VanDerWaalsContact O-N 3.17Å; H196-G199 PolarHBondContact O-N 2.69Å; H196-M310 WeakPolarHBondContact CB-O 3.48Å; H196-M310 PolarHBondContact CD2-O 2.9Å; H196-M310 VanDerWaalsContact CD2-O 3.31Å; H196-A312 HydrophobicContact CB-CB 3.99Å
197	Y	83.5	Confident	92.2	Very high	114 Å²	114	42.8 Å²	42.8	45%	0.447	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-27.3	-175.3	63.4	-91.9	0	0	0	113.5	G199 P384 K386	Y197-G199 PolarHBondContact O-N 3.22Å; Y197-P384 HydrophobicContact CD1-CB 4.49Å; Y197-K386 PolarHBondContact OH-NZ 2.79Å
198	S	83.2	Confident	92.4	Very high	39 Å²	39	36.9 Å²	36.9	27%	0.273	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-1	173.8	-50.1	0	0	0	0	113.7	H196 L200 F201	H196-S198 PolarHBondContact CE1-OG 3.12Å; H196-S198 VanDerWaalsContact CE1-OG 3.23Å; H196-S198 WeakPolarHBondContact ND1-CB 3.3Å; H196-S198 PolarHBondContact ND1-N 3.45Å; H196-S198 VanDerWaalsContact ND1-N 3.2Å; H196-S198 PolarHBondContact ND1-OG 3.46Å; H196-S198 PolarHBondContact O-N 3.21Å; H196-S198 VanDerWaalsContact O-N 3.17Å; S198-L200 PolarHBondContact O-N 2.95Å; S198-F201 WeakPolarHBondContact O-CB 3.03Å; S198-F201 WeakPolarHBondContact O-CD2 3.3Å; S198-F201 PolarHBondContact O-N 3.37Å
199	G	85.8	Confident	92.5	Very high	31 Å²	31	33.6 Å²	33.6	32%	0.32	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	-133.9	-178.6	0	0	0	0	0	113.1	H196 Y197 F201 G202	H196-G199 PolarHBondContact O-N 2.69Å; Y197-G199 PolarHBondContact O-N 3.22Å; G199-F201 PolarHBondContact O-N 3.25Å; G199-G202 PolarHBondContact O-N 2.97Å
200	L	89.4	Confident	92.4	Very high	64 Å²	64	36.4 Å²	36.4	34%	0.335	20%	0.201	S	C	.	.	H	α-helix	trans	-65.5	-23.1	-178.5	-62.5	-179.4	0	0	0	113.9	L186 S198 G202 L203 S204	L186-L200 HydrophobicContact CD2-CB 4.02Å; L186-L200 HydrophobicContact CD2-CD1 4.26Å; S198-L200 PolarHBondContact O-N 2.95Å; L200-G202 VanDerWaalsContact C-N 3.29Å; L200-G202 PolarHBondContact O-N 2.93Å; L200-L203 HydrophobicContact CD2-CD1 4.19Å; L200-L203 PolarHBondContact O-N 2.97Å; L200-S204 PolarHBondContact O-N 2.87Å; L200-S204 VanDerWaalsContact O-N 3.1Å; L200-S204 PolarHBondContact O-OG 2.9Å
201	F	89.9	Confident	92.5	Very high	73 Å²	73	33.6 Å²	33.6	32%	0.32	18%	0.181	S	C	.	.	H	α-helix	trans	-63.2	-37.3	179	-62.8	-77.2	0	0	0	111.8	V84 D156 L182 S198 G199 S204	V84-F201 HydrophobicContact CG1-CB 4.34Å; V84-F201 HydrophobicContact CG1-CD1 4.32Å; D156-F201 HydrophobicContact CB-CE1 4Å; D156-F201 HydrophobicContact CB-CZ 4.2Å; L182-F201 HydrophobicContact CD2-CD1 3.36Å; L182-F201 HydrophobicContact CD2-CE1 3.5Å; L182-F201 VanDerWaalsContact CD2-CE1 3.5Å; L182-F201 HydrophobicContact CD2-CG 4.49Å; S198-F201 WeakPolarHBondContact O-CB 3.03Å; S198-F201 WeakPolarHBondContact O-CD2 3.3Å; S198-F201 PolarHBondContact O-N 3.37Å; G199-F201 PolarHBondContact O-N 3.25Å; F201-S204 WeakPolarHBondContact O-CB 3.2Å; F201-S204 PolarHBondContact O-N 3.35Å
202	G	89.3	Confident	92.6	Very high	7 Å²	7	30.5 Å²	30.5	7%	0.072	17%	0.17	C	C	.	.	H	α-helix	trans	-60.6	-48.9	175.7	0	0	0	0	0	111.5	G199 L200 S204 K205 D313	G199-G202 PolarHBondContact O-N 2.97Å; L200-G202 VanDerWaalsContact C-N 3.29Å; L200-G202 PolarHBondContact O-N 2.93Å; G202-S204 PolarHBondContact O-N 3.11Å; G202-K205 PolarHBondContact O-N 3.42Å; G202-D313 WeakPolarHBondContact O-CB 3.14Å; G202-D313 VanDerWaalsContact O-CG 3.32Å; G202-D313 VanDerWaalsContact O-OD1 3.07Å
203	L	94.9	Very high	92.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-63.9	-26.4	179.6	-66.1	170.2	0	0	0	113.2	V189 I192 L200 K205 L206 A312 I316	V189-L203 HydrophobicContact CB-CB 4Å; V189-L203 HydrophobicContact CG1-CB 4.36Å; V189-L203 HydrophobicContact CG2-CB 4.25Å; I192-L203 HydrophobicContact CB-CD1 3.97Å; I192-L203 HydrophobicContact CD1-CD2 4.39Å; I192-L203 HydrophobicContact CG2-CD1 4.23Å; I192-L203 HydrophobicContact CG2-CD2 4.1Å; L200-L203 HydrophobicContact CD2-CD1 4.19Å; L200-L203 PolarHBondContact O-N 2.97Å; L203-K205 PolarHBondContact O-N 3.1Å; L203-K205 VanDerWaalsContact O-N 3.14Å; L203-L206 HydrophobicContact CD2-CD1 4.48Å; L203-L206 VanDerWaalsContact O-CB 3.3Å; L203-L206 WeakPolarHBondContact O-CB 3.5Å; L203-L206 VanDerWaalsContact O-CG 3.31Å; L203-L206 WeakPolarHBondContact O-CG 3.37Å; L203-L206 PolarHBondContact O-N 3.34Å; L203-A312 HydrophobicContact CD2-CB 4.07Å; L203-A312 HydrophobicContact CG-CB 4.2Å; L203-I316 HydrophobicContact CD2-CD1 3.69Å
204	S	94.8	Very high	92.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-66.5	-16.9	-174.1	-60.3	0	0	0	0	113.6	L182 L200 F201 G202 L206 L207	L182-S204 WeakPolarHBondContact CD1-OG 3.35Å; L200-S204 PolarHBondContact O-N 2.87Å; L200-S204 VanDerWaalsContact O-N 3.1Å; L200-S204 PolarHBondContact O-OG 2.9Å; F201-S204 WeakPolarHBondContact O-CB 3.2Å; F201-S204 PolarHBondContact O-N 3.35Å; G202-S204 PolarHBondContact O-N 3.11Å; S204-L206 PolarHBondContact O-N 3.41Å; S204-L207 WeakPolarHBondContact O-CB 3.28Å; S204-L207 PolarHBondContact O-N 3.04Å; S204-L207 VanDerWaalsContact O-N 3.07Å
205	K	95.4	Very high	92.9	Very high	14 Å²	14	40.8 Å²	40.8	6%	0.061	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-60	-27.6	170.6	-74	175.1	171	-176.2	0	113	V84 G202 L203 L207 I208 D223 T276 M279 D313	V84-K205 HydrophobicContact CG2-CG 3.99Å; G202-K205 PolarHBondContact O-N 3.42Å; L203-K205 PolarHBondContact O-N 3.1Å; L203-K205 VanDerWaalsContact O-N 3.14Å; K205-L207 PolarHBondContact O-N 3.05Å; K205-I208 HydrophobicContact CB-CD1 4.22Å; K205-I208 HydrophobicContact CG-CD1 4.45Å; K205-I208 VanDerWaalsContact O-CD1 3.3Å; K205-I208 WeakPolarHBondContact O-CD1 3.37Å; K205-I208 VanDerWaalsContact O-CG1 3.26Å; K205-I208 WeakPolarHBondContact O-CG1 3.4Å; K205-I208 PolarHBondContact O-N 3.08Å; K205-D223 WeakPolarHBondContact CE-OD1 3.49Å; K205-D223 IonicContact NZ-OD1 3.5Å; K205-D223 PolarHBondContact NZ-OD1 2.98Å; K205-D223 IonicContact NZ-OD2 3.49Å; K205-D223 PolarHBondContact NZ-OD2 3.22Å; K205-T276 PolarHBondContact NZ-O 3.45Å; K205-M279 HydrophobicContact CB-CE 4.22Å; K205-M279 HydrophobicContact CD-CE 4.19Å; K205-M279 HydrophobicContact CG-CE 4.48Å; K205-D313 HydrophobicContact CB-CB 4Å; K205-D313 HydrophobicContact CD-CB 4.47Å; K205-D313 WeakPolarHBondContact CD-OD2 3.28Å; K205-D313 IonicContact NZ-OD2 3.89Å
206	L	96.6	Very high	93.2	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.01	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-61.7	-24.5	175	-63.1	170.1	0	0	0	112.7	L203 S204 W295 D313 I316 I317	L203-L206 HydrophobicContact CD2-CD1 4.48Å; L203-L206 VanDerWaalsContact O-CB 3.3Å; L203-L206 WeakPolarHBondContact O-CB 3.5Å; L203-L206 VanDerWaalsContact O-CG 3.31Å; L203-L206 WeakPolarHBondContact O-CG 3.37Å; L203-L206 PolarHBondContact O-N 3.34Å; S204-L206 PolarHBondContact O-N 3.41Å; L206-W295 HydrophobicContact CB-CD2 4.31Å; L206-W295 HydrophobicContact CB-CZ2 4.19Å; L206-W295 HydrophobicContact CD1-CD2 4.32Å; L206-W295 HydrophobicContact CD1-CE3 3.96Å; L206-W295 HydrophobicContact CD1-CZ3 4.08Å; L206-W295 HydrophobicContact CD2-CD2 4.4Å; L206-W295 HydrophobicContact CD2-CG 4.39Å; L206-W295 PolarHBondContact O-NE1 2.95Å; L206-D313 HydrophobicContact CD2-CB 4.34Å; L206-D313 HydrophobicContact CG-CB 4.18Å; L206-I316 HydrophobicContact CD1-CB 4.21Å; L206-I316 HydrophobicContact CD1-CD1 3.66Å; L206-I316 HydrophobicContact CD1-CG2 3.9Å; L206-I316 HydrophobicContact CD2-CB 4.18Å; L206-I316 HydrophobicContact CD2-CG2 3.72Å; L206-I316 HydrophobicContact CG-CG2 4.49Å; L206-I317 HydrophobicContact CD2-CD1 4.14Å; L206-I317 HydrophobicContact CD2-CG1 3.7Å
207	L	96.7	Very high	93.7	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-93.6	0.2	-173.5	-53.9	179.3	0	0	0	113.1	K188 V189 S204 K205 E210 I211 W295	K188-L207 HydrophobicContact CB-CD1 4.19Å; K188-L207 HydrophobicContact CB-CD2 3.96Å; K188-L207 HydrophobicContact CD-CD2 4.31Å; V189-L207 HydrophobicContact CG1-CD1 3.82Å; V189-L207 HydrophobicContact CG1-CD2 3.9Å; V189-L207 HydrophobicContact CG1-CG 3.85Å; V189-L207 HydrophobicContact CG2-CD1 4.15Å; S204-L207 WeakPolarHBondContact O-CB 3.28Å; S204-L207 PolarHBondContact O-N 3.04Å; S204-L207 VanDerWaalsContact O-N 3.07Å; K205-L207 PolarHBondContact O-N 3.05Å; L207-E210 WeakPolarHBondContact O-CB 3.47Å; L207-E210 PolarHBondContact O-N 3.06Å; L207-I211 HydrophobicContact CB-CD1 3.6Å; L207-I211 HydrophobicContact CB-CG1 4.04Å; L207-I211 HydrophobicContact CD1-CD1 4.5Å; L207-I211 WeakPolarHBondContact O-CG1 3.47Å; L207-I211 PolarHBondContact O-N 3.43Å; L207-W295 HydrophobicContact CD2-CH2 4.41Å; L207-W295 HydrophobicContact CD2-CZ2 3.89Å
208	I	97.3	Very high	94.4	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-52.5	-46.3	-177.6	-68.3	164.6	0	0	0	112.6	I154 K205 E210 I211 L212 V219 N221 M279 L281 L283	I154-I208 HydrophobicContact CD1-CG1 3.89Å; K205-I208 HydrophobicContact CB-CD1 4.22Å; K205-I208 HydrophobicContact CG-CD1 4.45Å; K205-I208 VanDerWaalsContact O-CD1 3.3Å; K205-I208 WeakPolarHBondContact O-CD1 3.37Å; K205-I208 VanDerWaalsContact O-CG1 3.26Å; K205-I208 WeakPolarHBondContact O-CG1 3.4Å; K205-I208 PolarHBondContact O-N 3.08Å; I208-E210 PolarHBondContact O-N 2.94Å; I208-I211 PolarHBondContact O-N 3.45Å; I208-L212 HydrophobicContact CG2-CD1 3.67Å; I208-L212 HydrophobicContact CG2-CG 4.1Å; I208-L212 PolarHBondContact O-N 2.96Å; I208-V219 HydrophobicContact CG2-CG1 4.22Å; I208-N221 HydrophobicContact CD1-CB 3.98Å; I208-N221 VanDerWaalsContact CD1-CG 3.41Å; I208-N221 WeakPolarHBondContact CD1-ND2 3.45Å; I208-M279 HydrophobicContact CD1-CE 4.3Å; I208-L281 HydrophobicContact CB-CD1 4.29Å; I208-L281 HydrophobicContact CD1-CD1 4.05Å; I208-L281 HydrophobicContact CG2-CD1 3.92Å; I208-L283 HydrophobicContact CG2-CD2 4.18Å
209	P	96.7	Very high	95.2	Very high	7 Å²	7	37.2 Å²	37.2	5%	0.045	20%	0.201	C	C	.	.	H	α-helix	trans	-62.5	-25.9	178.6	-23.3	35.7	0	0	0	114.3	L283 L286 R287	P209-L283 HydrophobicContact CB-CD2 4.34Å; P209-L283 HydrophobicContact CG-CD2 4.17Å; P209-L286 HydrophobicContact CB-CB 4.48Å; P209-L286 HydrophobicContact CG-CB 4.32Å; P209-L286 HydrophobicContact CG-CD1 4.17Å; P209-R287 HydrophobicContact CB-CG 4.44Å; P209-R287 PolarHBondContact O-NE 3.2Å; P209-R287 PolarHBondContact O-NH2 3.4Å
210	E	94.8	Very high	95.8	Very high	58 Å²	58	35.8 Å²	35.8	27%	0.271	19%	0.185	S	C	.	.	H	α-helix	trans	-89.3	-30.8	179.5	-62.2	177.7	-143.9	0	0	113.2	K188 L207 I208 S292	K188-E210 VanDerWaalsContact CD-OE2 3.24Å; K188-E210 WeakPolarHBondContact CD-OE2 3.46Å; K188-E210 WeakPolarHBondContact CE-OE2 3.4Å; K188-E210 IonicContact NZ-OE2 2.72Å; K188-E210 PolarHBondContact NZ-OE2 2.9Å; L207-E210 WeakPolarHBondContact O-CB 3.47Å; L207-E210 PolarHBondContact O-N 3.06Å; I208-E210 PolarHBondContact O-N 2.94Å; E210-S292 WeakPolarHBondContact CG-OG 3.13Å; E210-S292 WeakPolarHBondContact OE1-CB 3.37Å; E210-S292 PolarHBondContact OE1-OG 2.84Å
211	I	97.1	Very high	96.2	Very high	7 Å²	7	32.7 Å²	32.7	4%	0.036	17%	0.169	C	C	.	.	H	α-helix	trans	-83	-42.6	-176.8	-67.5	172.3	0	0	0	111	I154 Y180 Y185 L207 I208	I154-I211 HydrophobicContact CD1-CB 4.18Å; I154-I211 HydrophobicContact CD1-CD1 4.1Å; I154-I211 HydrophobicContact CD1-CG2 3.94Å; I154-I211 HydrophobicContact CG1-CG2 3.89Å; I154-I211 HydrophobicContact CG2-CD1 3.85Å; I154-I211 HydrophobicContact CG2-CG2 4.34Å; Y180-I211 HydrophobicContact CD1-CG2 4.11Å; Y180-I211 HydrophobicContact CG-CG2 3.88Å; Y185-I211 HydrophobicContact CD1-CD1 4.36Å; Y185-I211 HydrophobicContact CD1-CG1 3.64Å; Y185-I211 HydrophobicContact CD2-CD1 4.06Å; Y185-I211 HydrophobicContact CD2-CG1 3.77Å; Y185-I211 HydrophobicContact CE1-CG1 3.79Å; Y185-I211 HydrophobicContact CE2-CG1 3.94Å; Y185-I211 HydrophobicContact CE2-CG2 4.29Å; Y185-I211 HydrophobicContact CG-CD1 3.91Å; Y185-I211 HydrophobicContact CG-CG1 3.62Å; L207-I211 HydrophobicContact CB-CD1 3.6Å; L207-I211 HydrophobicContact CB-CG1 4.04Å; L207-I211 HydrophobicContact CD1-CD1 4.5Å; L207-I211 WeakPolarHBondContact O-CG1 3.47Å; L207-I211 PolarHBondContact O-N 3.43Å; I208-I211 PolarHBondContact O-N 3.45Å
212	L	97.8	Very high	96.6	Very high	5 Å²	5	29.3 Å²	29.3	3%	0.026	15%	0.154	C	C	.	.	S	Bend	trans	-74.9	143	-179.3	-61.8	-173.1	0	0	0	110.7	H152 Y180 I208 V216 V219 L283 R287	H152-L212 HydrophobicContact CB-CD2 3.75Å; Y180-L212 HydrophobicContact CD2-CD2 3.85Å; Y180-L212 HydrophobicContact CE1-CD2 4.28Å; Y180-L212 HydrophobicContact CE2-CD2 3.51Å; Y180-L212 HydrophobicContact CG-CD2 4.37Å; I208-L212 HydrophobicContact CG2-CD1 3.67Å; I208-L212 HydrophobicContact CG2-CG 4.1Å; I208-L212 PolarHBondContact O-N 2.96Å; L212-V216 HydrophobicContact CD1-CG1 4.37Å; L212-V219 HydrophobicContact CD1-CB 4.37Å; L212-V219 HydrophobicContact CD1-CG1 4.11Å; L212-V219 HydrophobicContact CD1-CG2 4.16Å; L212-L283 HydrophobicContact CB-CD1 4.05Å; L212-L283 HydrophobicContact CD1-CD1 3.87Å; L212-R287 PolarHBondContact O-NH2 2.84Å
213	P	97.2	Very high	96.9	Very high	50 Å²	50	30.8 Å²	30.8	33%	0.325	16%	0.161	S	C	.	.			trans	-70.1	162.3	-175.8	30.1	-34.5	0	0	0	111.4	Y180 S215 V216 R287	Y180-P213 HydrophobicContact CE1-CG 4.5Å; Y180-P213 WeakPolarHBondContact OH-CD 3.3Å; P213-S215 PolarHBondContact O-N 2.79Å; P213-V216 HydrophobicContact CG-CG2 3.97Å; P213-V216 PolarHBondContact O-N 3.05Å; P213-R287 PolarHBondContact O-NH2 3.18Å
214	E	96.2	Very high	96.9	Very high	169 Å²	169	32.2 Å²	32.2	79%	0.79	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-26.3	179	-68	-178.3	176	0	0	113.2	V216	E214-V216 PolarHBondContact O-N 3.01Å
215	S	96.4	Very high	96.9	Very high	102 Å²	102	32.7 Å²	32.7	71%	0.713	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-16.1	175.5	58	0	0	0	0	114.4	P213	P213-S215 PolarHBondContact O-N 2.79Å
216	V	97.5	Very high	96.9	Very high	6 Å²	6	32 Å²	32	4%	0.036	17%	0.169	C	C	.	.			trans	-92.9	106.1	171	-176.1	0	0	0	0	107.5	D80 H152 L212 P213 E214 V219 L283 R287	D80-V216 HydrophobicContact CB-CG1 4.26Å; H152-V216 VanDerWaalsContact CE1-CG2 3.41Å; H152-V216 WeakPolarHBondContact CE1-CG2 3.47Å; L212-V216 HydrophobicContact CD1-CG1 4.37Å; P213-V216 HydrophobicContact CG-CG2 3.97Å; P213-V216 PolarHBondContact O-N 3.05Å; E214-V216 PolarHBondContact O-N 3.01Å; V216-V219 HydrophobicContact CG1-CB 4.28Å; V216-L283 HydrophobicContact CB-CD1 4.28Å; V216-L283 HydrophobicContact CG1-CD1 3.86Å; V216-R287 PolarHBondContact O-NH1 3.41Å
217	E	97.8	Very high	96.9	Very high	119 Å²	119	32 Å²	32	56%	0.556	17%	0.169	S	C	*	.			trans	-85	-39	-177.6	-65.1	179.7	-175.7	0	0	112.4	L283 V284	E217-L283 WeakPolarHBondContact O-CB 3.45Å; E217-L283 PolarHBondContact O-N 3.37Å; E217-V284 HydrophobicContact CB-CG2 3.82Å; E217-V284 HydrophobicContact CG-CG2 3.92Å; E217-V284 PolarHBondContact O-N 3.37Å
218	K	98.3	Very high	96.9	Very high	68 Å²	68	32 Å²	32	30%	0.296	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	147.1	-176.7	-75.8	165.2	-177.1	146.8	0	109.3	D80 W236 F239 L281 D282	D80-K218 WeakPolarHBondContact CB-O 3.44Å; K218-W236 HydrophobicContact CB-CH2 4Å; K218-W236 HydrophobicContact CB-CZ2 4.38Å; K218-W236 WeakPolarHBondContact O-CH2 3.39Å; K218-F239 HydrophobicContact CB-CD1 4.36Å; K218-F239 HydrophobicContact CB-CD2 4.28Å; K218-F239 HydrophobicContact CB-CE1 4.01Å; K218-F239 HydrophobicContact CB-CE2 3.94Å; K218-F239 HydrophobicContact CB-CG 4.49Å; K218-F239 HydrophobicContact CB-CZ 3.79Å; K218-F239 HydrophobicContact CD-CB 4.04Å; K218-F239 HydrophobicContact CD-CD1 3.82Å; K218-F239 HydrophobicContact CD-CD2 4.24Å; K218-F239 HydrophobicContact CD-CE1 4.28Å; K218-F239 HydrophobicContact CD-CG 3.79Å; K218-F239 HydrophobicContact CG-CD1 3.91Å; K218-F239 HydrophobicContact CG-CE1 3.86Å; K218-F239 HydrophobicContact CG-CG 4.26Å; K218-F239 HydrophobicContact CG-CZ 4.18Å; K218-L281 WeakPolarHBondContact CA-O 3.21Å; K218-D282 WeakPolarHBondContact CE-OD2 3.22Å; K218-D282 HydrophobicContact CG-CB 4.42Å; K218-D282 IonicContact NZ-OD2 3.24Å
219	V	98.5	Very high	96.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	141.5	179.2	69.6	0	0	0	0	111.7	D80 S82 I208 L212 V216 L281 L283	D80-V219 HydrophobicContact CB-CG2 4.29Å; D80-V219 WeakPolarHBondContact O-CA 3.32Å; D80-V219 WeakPolarHBondContact O-CG2 3.46Å; S82-V219 WeakPolarHBondContact OG-CG2 3.36Å; I208-V219 HydrophobicContact CG2-CG1 4.22Å; L212-V219 HydrophobicContact CD1-CB 4.37Å; L212-V219 HydrophobicContact CD1-CG1 4.11Å; L212-V219 HydrophobicContact CD1-CG2 4.16Å; V216-V219 HydrophobicContact CG1-CB 4.28Å; V219-L281 HydrophobicContact CG1-CB 3.94Å; V219-L281 HydrophobicContact CG1-CD1 4.25Å; V219-L281 PolarHBondContact N-O 2.91Å; V219-L281 PolarHBondContact O-N 2.76Å; V219-L283 HydrophobicContact CB-CD1 4.39Å; V219-L283 HydrophobicContact CG1-CD1 3.87Å; V219-L283 HydrophobicContact CG1-CD2 3.94Å; V219-L283 HydrophobicContact CG1-CG 4.01Å
220	I	98.6	Very high	96.3	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	111.1	165.4	-60.4	171	0	0	0	107.4	I79 D80 I81 S82 L222 L235 W236 F239 M279	I79-I220 HydrophobicContact CG2-CD1 4.09Å; D80-I220 PolarHBondContact O-N 3.12Å; I81-I220 CarbonylContact C-O 3.54Å; I81-I220 VanDerWaalsContact CA-O 3.28Å; I81-I220 WeakPolarHBondContact CA-O 3.46Å; S82-I220 PolarHBondContact N-O 2.89Å; I220-L222 HydrophobicContact CG2-CD2 3.64Å; I220-L222 HydrophobicContact CG2-CG 3.93Å; I220-L235 HydrophobicContact CD1-CB 4.25Å; I220-L235 HydrophobicContact CD1-CD2 4.07Å; I220-L235 HydrophobicContact CD1-CG 4.01Å; I220-L235 HydrophobicContact CG2-CD2 3.92Å; I220-W236 HydrophobicContact CD1-CB 4.29Å; I220-W236 HydrophobicContact CD1-CE3 3.77Å; I220-W236 HydrophobicContact CG1-CE3 3.81Å; I220-W236 HydrophobicContact CG1-CZ3 4.23Å; I220-F239 HydrophobicContact CG1-CE2 4.36Å; I220-M279 CarbonylContact C-O 3.56Å; I220-M279 WeakPolarHBondContact CA-O 3.5Å
221	N	98.3	Very high	96.1	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	132.2	170.7	-174.9	-108.3	0	0	0	110.7	S82 I208 V278 M279 L281	S82-N221 WeakPolarHBondContact O-CA 3.41Å; S82-N221 PolarHBondContact O-ND2 2.83Å; S82-N221 PolarHBondContact OG-ND2 2.9Å; I208-N221 HydrophobicContact CD1-CB 3.98Å; I208-N221 VanDerWaalsContact CD1-CG 3.41Å; I208-N221 WeakPolarHBondContact CD1-ND2 3.45Å; N221-V278 WeakPolarHBondContact O-CA 3.38Å; N221-M279 HydrophobicContact CB-CB 4.19Å; N221-M279 HydrophobicContact CB-CE 4Å; N221-M279 PolarHBondContact N-O 2.92Å; N221-M279 PolarHBondContact O-N 3.33Å; N221-M279 WeakPolarHBondContact OD1-CE 3.41Å; N221-L281 HydrophobicContact CB-CD1 4.2Å
222	L	98	Very high	95.9	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	144.8	-176.6	-63.5	-179.8	0	0	0	111.5	I81 S82 L83 I101 I220 L226 G277 V278	I81-L222 HydrophobicContact CG2-CD1 3.8Å; I81-L222 HydrophobicContact CG2-CG 4.21Å; S82-L222 PolarHBondContact O-N 3.4Å; L83-L222 HydrophobicContact CD2-CB 4.14Å; L83-L222 WeakPolarHBondContact CD2-O 3.37Å; L83-L222 HydrophobicContact CG-CB 4.2Å; L83-L222 WeakPolarHBondContact CG-O 3.45Å; I101-L222 HydrophobicContact CD1-CD1 4.21Å; I220-L222 HydrophobicContact CG2-CD2 3.64Å; I220-L222 HydrophobicContact CG2-CG 3.93Å; L222-L226 HydrophobicContact CB-CD1 3.91Å; L222-L226 HydrophobicContact CD2-CD1 3.79Å; L222-L226 HydrophobicContact CG-CD1 4.34Å; L222-G277 CarbonylContact C-O 3.51Å; L222-G277 WeakPolarHBondContact CA-O 3.35Å; L222-V278 HydrophobicContact CD2-CB 4.38Å; L222-V278 HydrophobicContact CD2-CG1 4.02Å; L222-V278 HydrophobicContact CD2-CG2 4.01Å
223	D	95.5	Very high	95.6	Very high	39 Å²	39	33.3 Å²	33.3	21%	0.209	18%	0.179	C	C	.	.			trans	-74.6	159.4	160.3	-88.8	-23.7	0	0	0	112.1	L97 K205 D225 L226 G277 H380	L97-D223 WeakPolarHBondContact CD2-O 3.46Å; K205-D223 WeakPolarHBondContact CE-OD1 3.49Å; K205-D223 IonicContact NZ-OD1 3.5Å; K205-D223 PolarHBondContact NZ-OD1 2.98Å; K205-D223 IonicContact NZ-OD2 3.49Å; K205-D223 PolarHBondContact NZ-OD2 3.22Å; D223-D225 WeakPolarHBondContact CB-OD1 3.38Å; D223-L226 HydrophobicContact CB-CD1 4.45Å; D223-L226 HydrophobicContact CB-CD2 4.4Å; D223-L226 HydrophobicContact CB-CG 4.14Å; D223-L226 WeakPolarHBondContact O-CD1 3.33Å; D223-L226 VanDerWaalsContact O-CG 3.3Å; D223-L226 WeakPolarHBondContact O-CG 3.36Å; D223-G277 PolarHBondContact N-O 3.5Å; D223-G277 WeakPolarHBondContact OD2-CA 3.44Å; D223-H380 IonicContact OD2-CE1 3.94Å; D223-H380 IonicContact OD2-NE2 3.37Å
224	V	94.7	Very high	95.4	Very high	29 Å²	29	35.1 Å²	35.1	18%	0.176	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-20.2	-176.7	72.2	0	0	0	0	113.6	I85 A90 G93 L94 L226	I85-V224 HydrophobicContact CD1-CB 4.12Å; I85-V224 HydrophobicContact CD1-CG2 3.99Å; A90-V224 WeakPolarHBondContact O-CG2 3.42Å; G93-V224 VanDerWaalsContact C-CG2 3.43Å; L94-V224 HydrophobicContact CB-CG2 4.13Å; V224-L226 VanDerWaalsContact C-N 3.28Å; V224-L226 PolarHBondContact O-N 2.76Å
225	D	94.8	Very high	95.3	Very high	10 Å²	10	27 Å²	27	5%	0.053	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	33	-178.5	51.4	10.9	0	0	0	112.7	D223 H380 F381 K386	D223-D225 WeakPolarHBondContact CB-OD1 3.38Å; D225-H380 IonicContact OD1-CD2 2.67Å; D225-H380 PolarHBondContact OD1-CD2 2.61Å; D225-H380 IonicContact OD1-NE2 2.79Å; D225-H380 PolarHBondContact OD1-NE2 3.42Å; D225-F381 PolarHBondContact O-N 2.96Å; D225-K386 IonicContact OD2-NZ 2.8Å; D225-K386 PolarHBondContact OD2-NZ 3.23Å
226	L	97	Very high	95.3	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	154.1	174.9	-55.7	-179.2	0	0	0	111.8	L97 L222 D223 V224 G277 V278 I378 A379 H380	L97-L226 HydrophobicContact CD1-CB 3.97Å; L222-L226 HydrophobicContact CB-CD1 3.91Å; L222-L226 HydrophobicContact CD2-CD1 3.79Å; L222-L226 HydrophobicContact CG-CD1 4.34Å; D223-L226 HydrophobicContact CB-CD1 4.45Å; D223-L226 HydrophobicContact CB-CD2 4.4Å; D223-L226 HydrophobicContact CB-CG 4.14Å; D223-L226 WeakPolarHBondContact O-CD1 3.33Å; D223-L226 VanDerWaalsContact O-CG 3.3Å; D223-L226 WeakPolarHBondContact O-CG 3.36Å; V224-L226 VanDerWaalsContact C-N 3.28Å; V224-L226 PolarHBondContact O-N 2.76Å; L226-G277 WeakPolarHBondContact CD1-O 3.39Å; L226-V278 HydrophobicContact CD1-CG2 3.74Å; L226-V278 HydrophobicContact CD2-CG2 4.45Å; L226-I378 HydrophobicContact CB-CG2 4.1Å; L226-I378 HydrophobicContact CD1-CG2 4.13Å; L226-I378 HydrophobicContact CD2-CG2 4.11Å; L226-I378 HydrophobicContact CG-CG2 4.35Å; L226-A379 CarbonylContact C-O 3.3Å; L226-A379 VanDerWaalsContact CA-O 3.3Å; L226-A379 WeakPolarHBondContact CA-O 3.07Å; L226-H380 HydrophobicContact CD2-CB 3.36Å; L226-H380 VanDerWaalsContact CD2-CG 3.41Å
227	L	96.5	Very high	95.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	128.1	162.3	-69.4	-179.3	0	0	0	110.2	T96 N229 I378 A379 F409 M412 Y413 Y416	T96-L227 HydrophobicContact CG2-CD2 4.35Å; L227-N229 PolarHBondContact O-ND2 3.1Å; L227-I378 WeakPolarHBondContact O-CA 3.26Å; L227-A379 PolarHBondContact N-O 2.89Å; L227-A379 PolarHBondContact O-N 2.77Å; L227-F409 HydrophobicContact CB-CD2 4.48Å; L227-F409 HydrophobicContact CB-CE2 3.95Å; L227-F409 HydrophobicContact CD1-CD1 4.42Å; L227-F409 HydrophobicContact CD1-CD2 3.85Å; L227-F409 HydrophobicContact CD1-CE1 4.27Å; L227-F409 HydrophobicContact CD1-CE2 3.71Å; L227-F409 HydrophobicContact CD1-CG 4.2Å; L227-F409 HydrophobicContact CD1-CZ 3.91Å; L227-F409 HydrophobicContact CG-CD2 4.17Å; L227-F409 HydrophobicContact CG-CE1 4.46Å; L227-F409 HydrophobicContact CG-CE2 3.53Å; L227-F409 HydrophobicContact CG-CZ 3.69Å; L227-M412 HydrophobicContact CD1-CB 3.72Å; L227-Y413 HydrophobicContact CD2-CD2 4.25Å; L227-Y416 HydrophobicContact CD1-CD2 4.37Å; L227-Y416 HydrophobicContact CD1-CE2 4.46Å; L227-Y416 HydrophobicContact CD2-CD2 3.61Å; L227-Y416 HydrophobicContact CD2-CE2 4.07Å
228	V	95.3	Very high	95.2	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	124.5	-178.3	-179.4	0	0	0	0	110.4	L97 S100 I101 Q104 S230 L232 I378	L97-V228 HydrophobicContact CD1-CG2 3.98Å; S100-V228 PolarHBondContact OG-N 2.59Å; S100-V228 VanDerWaalsContact OG-N 3.12Å; I101-V228 HydrophobicContact CD1-CG2 4.36Å; I101-V228 HydrophobicContact CG1-CB 3.93Å; I101-V228 HydrophobicContact CG1-CG1 4.35Å; I101-V228 HydrophobicContact CG1-CG2 3.64Å; Q104-V228 HydrophobicContact CG-CG1 4.29Å; Q104-V228 VanDerWaalsContact CG-O 3.3Å; Q104-V228 WeakPolarHBondContact CG-O 3.39Å; Q104-V228 PolarHBondContact NE2-O 3.16Å; V228-S230 WeakPolarHBondContact CG1-O 3.29Å; V228-L232 HydrophobicContact CG1-CD2 3.83Å; V228-L232 HydrophobicContact CG1-CG 4.16Å; V228-L232 HydrophobicContact CG2-CD2 4.33Å; V228-I378 HydrophobicContact CG2-CD1 4.48Å; V228-I378 HydrophobicContact CG2-CG1 4.31Å
229	N	92.2	Very high	95.2	Very high	28 Å²	28	17.1 Å²	17.1	15%	0.15	9%	0.09	C	C	.	.			trans	-117.2	3.2	-176.9	-62.6	-87.9	0	0	0	112.7	Q104 L227 W352 L376 K377	Q104-N229 PolarHBondContact OE1-O 3.41Å; L227-N229 PolarHBondContact O-ND2 3.1Å; N229-W352 PolarHBondContact OD1-NE1 2.73Å; N229-W352 VanDerWaalsContact OD1-NE1 3.09Å; N229-L376 HydrophobicContact CB-CD2 4.2Å; N229-L376 WeakPolarHBondContact CB-O 3.31Å; N229-L376 WeakPolarHBondContact ND2-CD2 3.3Å; N229-K377 WeakPolarHBondContact CA-O 3.32Å; N229-K377 PolarHBondContact N-O 2.85Å
230	S	90.3	Very high	95.1	Very high	22 Å²	22	24.1 Å²	24.1	15%	0.154	12%	0.122	C	C	.	.	S	Bend	trans	-139.1	164	175.4	-151.5	0	0	0	0	111.4	V228 L232 E234	V228-S230 WeakPolarHBondContact CG1-O 3.29Å; S230-L232 PolarHBondContact O-N 2.86Å; S230-E234 PolarHBondContact OG-OE1 2.92Å
231	D	89.5	Confident	95	Very high	23 Å²	23	28.6 Å²	28.6	12%	0.123	14%	0.142	C	C	.	.			trans	-66	124.6	176.5	-166.5	-26.9	0	0	0	111	R147 L233 E234	R147-D231 IonicContact CZ-OD2 3.86Å; R147-D231 IonicContact NE-OD2 3.47Å; R147-D231 PolarHBondContact NE-OD2 3.49Å; R147-D231 IonicContact NH1-OD2 3.87Å; R147-D231 PolarHBondContact NH1-OD2 3.36Å; R147-D231 IonicContact NH2-OD2 3.8Å; D231-L233 PolarHBondContact O-N 2.87Å; D231-L233 VanDerWaalsContact O-N 3.16Å; D231-L233 WeakPolarHBondContact OD1-CB 3.46Å; D231-L233 PolarHBondContact OD1-N 2.72Å; D231-E234 WeakPolarHBondContact O-CB 3.04Å; D231-E234 PolarHBondContact O-N 2.75Å
232	L	93	Very high	95	Very high	6 Å²	6	29.5 Å²	29.5	3%	0.031	15%	0.146	C	C	.	.	H	α-helix	trans	-64.7	-15.4	178.4	-68.1	-174.5	0	0	0	113.3	I81 I101 V228 S230 E234 L235 W236 I378	I81-L232 HydrophobicContact CD1-CD1 3.54Å; I101-L232 HydrophobicContact CD1-CD1 3.93Å; I101-L232 HydrophobicContact CG1-CD1 3.94Å; I101-L232 HydrophobicContact CG2-CD1 3.77Å; I101-L232 HydrophobicContact CG2-CG 4.4Å; V228-L232 HydrophobicContact CG1-CD2 3.83Å; V228-L232 HydrophobicContact CG1-CG 4.16Å; V228-L232 HydrophobicContact CG2-CD2 4.33Å; S230-L232 PolarHBondContact O-N 2.86Å; L232-E234 PolarHBondContact O-N 3.07Å; L232-L235 HydrophobicContact CD2-CD2 4.23Å; L232-L235 WeakPolarHBondContact O-CB 3.47Å; L232-L235 PolarHBondContact O-N 2.82Å; L232-L235 VanDerWaalsContact O-N 3.13Å; L232-W236 WeakPolarHBondContact O-CB 3.48Å; L232-W236 PolarHBondContact O-N 3.39Å; L232-I378 HydrophobicContact CD2-CD1 4.26Å
233	L	91.6	Very high	94.9	Very high	26 Å²	26	33 Å²	33	14%	0.136	17%	0.165	C	C	.	.	H	α-helix	trans	-59.7	-35.6	170.5	-178.5	60.1	0	0	0	111.9	I77 I79 D231 L235 W236 A237	I77-L233 HydrophobicContact CD1-CD1 4.14Å; I77-L233 HydrophobicContact CD1-CD2 4.38Å; I77-L233 HydrophobicContact CG2-CD1 3.72Å; I79-L233 HydrophobicContact CD1-CB 4.07Å; I79-L233 HydrophobicContact CD1-CD1 4.31Å; D231-L233 PolarHBondContact O-N 2.87Å; D231-L233 VanDerWaalsContact O-N 3.16Å; D231-L233 WeakPolarHBondContact OD1-CB 3.46Å; D231-L233 PolarHBondContact OD1-N 2.72Å; L233-L235 VanDerWaalsContact C-N 3.33Å; L233-W236 PolarHBondContact O-N 2.84Å; L233-A237 PolarHBondContact O-N 3.38Å
234	E	92.7	Very high	94.8	Very high	88 Å²	88	37.6 Å²	37.6	41%	0.411	19%	0.194	S	C	.	.	H	α-helix	trans	-65.4	-39	175.5	-66.3	175.3	-135.1	0	0	111.2	S230 D231 L232 A237 H238 W335 K377	S230-E234 PolarHBondContact OG-OE1 2.92Å; D231-E234 WeakPolarHBondContact O-CB 3.04Å; D231-E234 PolarHBondContact O-N 2.75Å; L232-E234 PolarHBondContact O-N 3.07Å; E234-A237 PolarHBondContact O-N 3.32Å; E234-H238 PolarHBondContact O-CD2 2.78Å; E234-H238 VanDerWaalsContact O-CD2 3.26Å; E234-W335 HydrophobicContact CB-CH2 3.71Å; E234-W335 HydrophobicContact CB-CZ2 3.66Å; E234-K377 IonicContact OE2-NZ 3.59Å; E234-K377 PolarHBondContact OE2-NZ 3.27Å
235	L	95.9	Very high	94.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-65.9	-46.7	175	-175	54.4	0	0	0	110.4	I220 L232 L233 A237 H238 V278 L280 L331 W335 I378	I220-L235 HydrophobicContact CD1-CB 4.25Å; I220-L235 HydrophobicContact CD1-CD2 4.07Å; I220-L235 HydrophobicContact CD1-CG 4.01Å; I220-L235 HydrophobicContact CG2-CD2 3.92Å; L232-L235 HydrophobicContact CD2-CD2 4.23Å; L232-L235 WeakPolarHBondContact O-CB 3.47Å; L232-L235 PolarHBondContact O-N 2.82Å; L232-L235 VanDerWaalsContact O-N 3.13Å; L233-L235 VanDerWaalsContact C-N 3.33Å; L235-A237 PolarHBondContact O-N 3.38Å; L235-H238 VanDerWaalsContact O-CB 3.29Å; L235-H238 WeakPolarHBondContact O-CB 3.33Å; L235-H238 PolarHBondContact O-N 3.09Å; L235-V278 HydrophobicContact CD2-CG1 3.92Å; L235-L280 HydrophobicContact CD1-CD1 3.78Å; L235-L280 HydrophobicContact CG-CD1 4.29Å; L235-L331 HydrophobicContact CD1-CD1 4.29Å; L235-L331 HydrophobicContact CD1-CD2 3.95Å; L235-W335 HydrophobicContact CB-CD2 4.32Å; L235-W335 HydrophobicContact CB-CE3 3.93Å; L235-W335 HydrophobicContact CB-CH2 3.65Å; L235-W335 HydrophobicContact CB-CZ2 4.01Å; L235-W335 HydrophobicContact CB-CZ3 3.61Å; L235-W335 HydrophobicContact CD1-CB 4.32Å; L235-W335 HydrophobicContact CD1-CD2 3.68Å; L235-W335 HydrophobicContact CD1-CE3 3.87Å; L235-W335 HydrophobicContact CD1-CG 3.91Å; L235-W335 HydrophobicContact CD1-CZ3 4.43Å; L235-W335 HydrophobicContact CD2-CE3 4.07Å; L235-W335 HydrophobicContact CD2-CZ3 4.33Å; L235-W335 HydrophobicContact CG-CD2 4.44Å; L235-W335 HydrophobicContact CG-CE3 4.18Å; L235-W335 HydrophobicContact CG-CZ3 4.34Å; L235-W335 VanDerWaalsContact N-CH2 3.34Å; L235-I378 HydrophobicContact CD2-CD1 3.99Å
236	W	96.1	Very high	95	Very high	43 Å²	43	39.1 Å²	39.1	16%	0.163	20%	0.204	C	C	.	.	H	α-helix	trans	-55.9	-36.9	177.4	-172.1	-99.7	0	0	0	112.4	I79 D80 K218 I220 L232 L233 H238 F239	I79-W236 HydrophobicContact CB-CD2 4.43Å; I79-W236 HydrophobicContact CB-CE3 4.33Å; I79-W236 HydrophobicContact CD1-CB 4.49Å; I79-W236 HydrophobicContact CG1-CB 4.35Å; I79-W236 HydrophobicContact CG1-CD2 4.28Å; I79-W236 HydrophobicContact CG1-CG 4.15Å; I79-W236 HydrophobicContact CG2-CD2 4.13Å; I79-W236 HydrophobicContact CG2-CE3 3.66Å; I79-W236 HydrophobicContact CG2-CZ3 4.17Å; D80-W236 HydrophobicContact CB-CH2 4.02Å; D80-W236 HydrophobicContact CB-CZ3 4.28Å; D80-W236 WeakPolarHBondContact O-CZ3 3.44Å; K218-W236 HydrophobicContact CB-CH2 4Å; K218-W236 HydrophobicContact CB-CZ2 4.38Å; K218-W236 WeakPolarHBondContact O-CH2 3.39Å; I220-W236 HydrophobicContact CD1-CB 4.29Å; I220-W236 HydrophobicContact CD1-CE3 3.77Å; I220-W236 HydrophobicContact CG1-CE3 3.81Å; I220-W236 HydrophobicContact CG1-CZ3 4.23Å; L232-W236 WeakPolarHBondContact O-CB 3.48Å; L232-W236 PolarHBondContact O-N 3.39Å; L233-W236 PolarHBondContact O-N 2.84Å; W236-H238 PolarHBondContact O-N 2.86Å; W236-H238 VanDerWaalsContact O-N 3.12Å; W236-F239 HydrophobicContact CD2-CD2 4.18Å; W236-F239 HydrophobicContact CD2-CE2 4.33Å; W236-F239 HydrophobicContact CE3-CD2 4.14Å; W236-F239 AromaticContact CE3-CE2 3.82Å; W236-F239 HydrophobicContact CE3-CE2 3.82Å; W236-F239 HydrophobicContact CH2-CE2 4.47Å; W236-F239 HydrophobicContact CZ3-CD2 4.48Å; W236-F239 AromaticContact CZ3-CE2 3.89Å; W236-F239 HydrophobicContact CZ3-CE2 3.89Å; W236-F239 WeakPolarHBondContact O-CD2 3.36Å; W236-F239 PolarHBondContact O-N 2.88Å
237	A	95.5	Very high	95.1	Very high	19 Å²	19	39.8 Å²	39.8	16%	0.157	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-62.8	-17.2	176.9	0	0	0	0	0	113.9	L233 E234 L235 F239 Q240	L233-A237 PolarHBondContact O-N 3.38Å; E234-A237 PolarHBondContact O-N 3.32Å; L235-A237 PolarHBondContact O-N 3.38Å; A237-F239 PolarHBondContact O-N 3.15Å; A237-Q240 PolarHBondContact O-N 2.85Å
238	H	97.6	Very high	95.2	Very high	12 Å²	12	40 Å²	40	6%	0.056	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-65.7	-24.4	175	-78.2	-109.3	0	0	0	113.1	E234 L235 W236 Q240 K241 F242 L280 Y329 L331 W335	E234-H238 PolarHBondContact O-CD2 2.78Å; E234-H238 VanDerWaalsContact O-CD2 3.26Å; L235-H238 VanDerWaalsContact O-CB 3.29Å; L235-H238 WeakPolarHBondContact O-CB 3.33Å; L235-H238 PolarHBondContact O-N 3.09Å; W236-H238 PolarHBondContact O-N 2.86Å; W236-H238 VanDerWaalsContact O-N 3.12Å; H238-Q240 PolarHBondContact O-N 2.82Å; H238-K241 WeakPolarHBondContact O-CB 3.39Å; H238-K241 PolarHBondContact O-N 3.42Å; H238-F242 WeakPolarHBondContact O-CD1 3.15Å; H238-L280 HydrophobicContact CB-CD2 3.81Å; H238-Y329 HydrophobicContact CB-CE1 3.97Å; H238-Y329 AromaticContact ND1-CE1 3.42Å; H238-Y329 WeakPolarHBondContact ND1-CE1 3.41Å; H238-Y329 AromaticContact ND1-CZ 3.68Å; H238-Y329 PolarHBondContact ND1-OH 3.12Å; H238-L331 HydrophobicContact CB-CD2 4.03Å; H238-W335 AromaticContact CE1-NE1 3.91Å; H238-W335 AromaticContact NE2-NE1 3.32Å; H238-W335 PolarHBondContact NE2-NE1 3.19Å
239	F	97.5	Very high	95.3	Very high	12 Å²	12	40 Å²	40	5%	0.053	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-57.5	-31.3	173.1	-80	-66.4	0	0	0	112.8	K218 I220 W236 A237 K241 F242 L280	K218-F239 HydrophobicContact CB-CD1 4.36Å; K218-F239 HydrophobicContact CB-CD2 4.28Å; K218-F239 HydrophobicContact CB-CE1 4.01Å; K218-F239 HydrophobicContact CB-CE2 3.94Å; K218-F239 HydrophobicContact CB-CG 4.49Å; K218-F239 HydrophobicContact CB-CZ 3.79Å; K218-F239 HydrophobicContact CD-CB 4.04Å; K218-F239 HydrophobicContact CD-CD1 3.82Å; K218-F239 HydrophobicContact CD-CD2 4.24Å; K218-F239 HydrophobicContact CD-CE1 4.28Å; K218-F239 HydrophobicContact CD-CG 3.79Å; K218-F239 HydrophobicContact CG-CD1 3.91Å; K218-F239 HydrophobicContact CG-CE1 3.86Å; K218-F239 HydrophobicContact CG-CG 4.26Å; K218-F239 HydrophobicContact CG-CZ 4.18Å; I220-F239 HydrophobicContact CG1-CE2 4.36Å; W236-F239 HydrophobicContact CD2-CD2 4.18Å; W236-F239 HydrophobicContact CD2-CE2 4.33Å; W236-F239 HydrophobicContact CE3-CD2 4.14Å; W236-F239 AromaticContact CE3-CE2 3.82Å; W236-F239 HydrophobicContact CE3-CE2 3.82Å; W236-F239 HydrophobicContact CH2-CE2 4.47Å; W236-F239 HydrophobicContact CZ3-CD2 4.48Å; W236-F239 AromaticContact CZ3-CE2 3.89Å; W236-F239 HydrophobicContact CZ3-CE2 3.89Å; W236-F239 WeakPolarHBondContact O-CD2 3.36Å; W236-F239 PolarHBondContact O-N 2.88Å; A237-F239 PolarHBondContact O-N 3.15Å; F239-K241 PolarHBondContact O-N 3.48Å; F239-F242 HydrophobicContact CD1-CD2 4.45Å; F239-F242 HydrophobicContact CD1-CE2 4.02Å; F239-F242 HydrophobicContact CD1-CZ 4.1Å; F239-F242 HydrophobicContact CE1-CE2 4.25Å; F239-F242 HydrophobicContact CE1-CZ 4.33Å; F239-F242 PolarHBondContact O-N 3.32Å; F239-L280 HydrophobicContact CD1-CB 4.38Å; F239-L280 HydrophobicContact CD1-CD2 4.28Å; F239-L280 HydrophobicContact CD2-CD2 3.83Å; F239-L280 HydrophobicContact CE1-CB 3.71Å; F239-L280 HydrophobicContact CE1-CD2 4.28Å; F239-L280 HydrophobicContact CE1-CG 4.45Å; F239-L280 HydrophobicContact CE2-CB 4.2Å; F239-L280 HydrophobicContact CE2-CD2 3.83Å; F239-L280 HydrophobicContact CE2-CG 4.13Å; F239-L280 HydrophobicContact CG-CD2 4.06Å; F239-L280 HydrophobicContact CZ-CB 3.6Å; F239-L280 HydrophobicContact CZ-CD2 4.06Å; F239-L280 HydrophobicContact CZ-CG 4.04Å
240	Q	95.7	Very high	95.6	Very high	147 Å²	147	38.6 Å²	38.6	69%	0.687	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-73	-13.7	178	-62.9	177.6	-4	0	0	113	A237 H238	A237-Q240 PolarHBondContact O-N 2.85Å; H238-Q240 PolarHBondContact O-N 2.82Å
241	K	97.4	Very high	95.9	Very high	95 Å²	95	37.7 Å²	37.7	41%	0.413	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-93.4	-5.5	179	-59.1	177.8	178.7	174.8	0	112.7	H238 F239 N243 Y329	H238-K241 WeakPolarHBondContact O-CB 3.39Å; H238-K241 PolarHBondContact O-N 3.42Å; F239-K241 PolarHBondContact O-N 3.48Å; K241-N243 PolarHBondContact O-N 2.82Å; K241-Y329 HydrophobicContact CB-CE2 3.82Å; K241-Y329 VanDerWaalsContact CD-OH 3.22Å; K241-Y329 WeakPolarHBondContact CD-OH 3.36Å
242	F	97.4	Very high	96.3	Very high	19 Å²	19	37.4 Å²	37.4	8%	0.083	20%	0.195	C	C	.	.			trans	-66	131.9	175.9	-76.4	22.7	0	0	0	108.9	H238 F239 Q246 L280 Y329	H238-F242 WeakPolarHBondContact O-CD1 3.15Å; F239-F242 HydrophobicContact CD1-CD2 4.45Å; F239-F242 HydrophobicContact CD1-CE2 4.02Å; F239-F242 HydrophobicContact CD1-CZ 4.1Å; F239-F242 HydrophobicContact CE1-CE2 4.25Å; F239-F242 HydrophobicContact CE1-CZ 4.33Å; F239-F242 PolarHBondContact O-N 3.32Å; F242-Q246 HydrophobicContact CB-CB 3.95Å; F242-Q246 HydrophobicContact CD2-CB 4.06Å; F242-Q246 WeakPolarHBondContact CD2-O 3.48Å; F242-Q246 HydrophobicContact CG-CB 4Å; F242-L280 HydrophobicContact CZ-CB 3.93Å; F242-Y329 AromaticContact CD1-CD1 3.87Å; F242-Y329 HydrophobicContact CD1-CD1 3.87Å; F242-Y329 AromaticContact CD1-CD2 3.95Å; F242-Y329 HydrophobicContact CD1-CD2 3.95Å; F242-Y329 AromaticContact CD1-CG 3.54Å; F242-Y329 HydrophobicContact CD1-CG 3.54Å; F242-Y329 VanDerWaalsContact CE1-CB 3.43Å; F242-Y329 AromaticContact CE1-CD1 3.39Å; F242-Y329 HydrophobicContact CE1-CD1 3.39Å; F242-Y329 HydrophobicContact CE1-CD2 4.3Å; F242-Y329 HydrophobicContact CE1-CE1 4.19Å; F242-Y329 AromaticContact CE1-CG 3.44Å; F242-Y329 HydrophobicContact CE1-CG 3.44Å; F242-Y329 VanDerWaalsContact CE1-CG 3.44Å; F242-Y329 HydrophobicContact CZ-CD1 4.39Å; F242-Y329 HydrophobicContact CZ-CG 4.42Å
243	N	96.5	Very high	96.3	Very high	75 Å²	75	37.3 Å²	37.3	40%	0.401	20%	0.195	S	C	.	.			trans	-70.4	-173.7	167.5	71.1	25.6	0	0	0	110.4	K241 S245 Q246 R285	K241-N243 PolarHBondContact O-N 2.82Å; N243-S245 VanDerWaalsContact C-N 3.35Å; N243-S245 PolarHBondContact O-N 3.01Å; N243-S245 PolarHBondContact OD1-N 3.39Å; N243-S245 PolarHBondContact OD1-OG 3.13Å; N243-Q246 VanDerWaalsContact CG-CD 3.47Å; N243-Q246 WeakPolarHBondContact OD1-CB 3.3Å; N243-Q246 WeakPolarHBondContact OD1-CG 3.35Å; N243-Q246 PolarHBondContact OD1-N 2.8Å; N243-R285 PolarHBondContact O-NH1 3.43Å
244	T	94.8	Very high	96.4	Very high	134 Å²	134	36.2 Å²	36.2	82%	0.822	19%	0.189	S	C	*	.	S	Bend	trans	-69.1	-25.5	-177.1	48.2	0	0	0	0	114.6
245	S	95.6	Very high	96.3	Very high	43 Å²	43	32.8 Å²	32.8	30%	0.301	18%	0.175	S	C	.	.	S	Bend	trans	-92.9	-24.9	179.7	63	0	0	0	0	113.6	N243 M247 S326	N243-S245 VanDerWaalsContact C-N 3.35Å; N243-S245 PolarHBondContact O-N 3.01Å; N243-S245 PolarHBondContact OD1-N 3.39Å; N243-S245 PolarHBondContact OD1-OG 3.13Å; S245-M247 WeakPolarHBondContact O-CE 3.41Å; S245-S326 PolarHBondContact OG-O 3.01Å
246	Q	98	Very high	96	Very high	28 Å²	28	35 Å²	35	13%	0.131	19%	0.189	C	C	.	.			trans	-71	135.6	-174.5	-76.1	167.8	-24	0	0	112.1	F242 N243 R285 I327 I328	F242-Q246 HydrophobicContact CB-CB 3.95Å; F242-Q246 HydrophobicContact CD2-CB 4.06Å; F242-Q246 WeakPolarHBondContact CD2-O 3.48Å; F242-Q246 HydrophobicContact CG-CB 4Å; N243-Q246 VanDerWaalsContact CG-CD 3.47Å; N243-Q246 WeakPolarHBondContact OD1-CB 3.3Å; N243-Q246 WeakPolarHBondContact OD1-CG 3.35Å; N243-Q246 PolarHBondContact OD1-N 2.8Å; Q246-R285 PolarHBondContact O-NH1 3.04Å; Q246-I327 CarbonylContact C-O 3.56Å; Q246-I327 VanDerWaalsContact CA-O 3.28Å; Q246-I327 WeakPolarHBondContact CA-O 3.42Å; Q246-I328 WeakPolarHBondContact CG-O 3.33Å; Q246-I328 PolarHBondContact NE2-O 2.86Å
247	M	97.6	Very high	95.7	Very high	16 Å²	16	35.2 Å²	35.2	8%	0.079	19%	0.19	C	C	.	.			trans	-144.6	-11.6	179.8	66	-169.1	73.4	0	0	113.7	S245 D282 R285 L286 S289 I327	S245-M247 WeakPolarHBondContact O-CE 3.41Å; M247-D282 HydrophobicContact CB-CB 4.24Å; M247-D282 PolarHBondContact O-N 3.45Å; M247-R285 HydrophobicContact CB-CB 3.63Å; M247-R285 HydrophobicContact CE-CB 4.36Å; M247-R285 HydrophobicContact SD-CB 4.39Å; M247-L286 HydrophobicContact CB-CD2 4.5Å; M247-L286 HydrophobicContact CB-CG 4.27Å; M247-L286 HydrophobicContact CG-CD2 3.72Å; M247-L286 HydrophobicContact CG-CG 4.01Å; M247-L286 HydrophobicContact SD-CD2 3.65Å; M247-L286 HydrophobicContact SD-CG 4.07Å; M247-S289 PolarHBondContact SD-OG 3.32Å; M247-I327 HydrophobicContact CE-CB 4.21Å; M247-I327 HydrophobicContact CE-CG2 3.89Å; M247-I327 HydrophobicContact CG-CB 4.06Å; M247-I327 HydrophobicContact CG-CD1 4.37Å; M247-I327 PolarHBondContact N-O 2.91Å; M247-I327 HydrophobicContact SD-CB 4.43Å; M247-I327 HydrophobicContact SD-CD1 4.48Å; M247-I327 HydrophobicContact SD-CG2 4.49Å
248	I	98.3	Very high	95.5	Very high	3 Å²	3	35.5 Å²	35.5	2%	0.015	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	129	174.2	-57.7	-177.8	0	0	0	108.6	L250 L280 L281 L286 W291 I327 I328 Y329	I248-L250 HydrophobicContact CG2-CD1 3.85Å; I248-L250 HydrophobicContact CG2-CD2 4.43Å; I248-L250 HydrophobicContact CG2-CG 3.77Å; I248-L280 CarbonylContact C-O 3.52Å; I248-L280 WeakPolarHBondContact CA-O 3.09Å; I248-L281 HydrophobicContact CG1-CD2 4.21Å; I248-L281 HydrophobicContact CG2-CD2 4.14Å; I248-L286 HydrophobicContact CD1-CD2 3.9Å; I248-L286 HydrophobicContact CG1-CD1 4.43Å; I248-L286 HydrophobicContact CG1-CD2 3.79Å; I248-W291 HydrophobicContact CD1-CD2 4.4Å; I248-W291 HydrophobicContact CD1-CE3 4.41Å; I248-W291 HydrophobicContact CD1-CH2 3.87Å; I248-W291 HydrophobicContact CD1-CZ2 3.85Å; I248-W291 HydrophobicContact CD1-CZ3 4.16Å; I248-I327 HydrophobicContact CD1-CD1 3.96Å; I248-I327 HydrophobicContact CG1-CD1 4.4Å; I248-I327 PolarHBondContact N-O 2.94Å; I248-I328 HydrophobicContact CB-CD1 4.35Å; I248-I328 HydrophobicContact CG2-CD1 4.07Å; I248-I328 CarbonylContact O-C 3.4Å; I248-I328 WeakPolarHBondContact O-CA 3.1Å; I248-I328 VanDerWaalsContact O-CD1 3.29Å; I248-I328 WeakPolarHBondContact O-CD1 3.36Å; I248-Y329 PolarHBondContact O-N 2.72Å
249	G	98.4	Very high	94.9	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	122	172	0	0	0	0	0	111.6	M279 L280 Y329	G249-M279 CarbonylContact O-C 3.55Å; G249-M279 WeakPolarHBondContact O-CA 3.27Å; G249-L280 PolarHBondContact N-O 3.44Å; G249-L280 PolarHBondContact O-N 3.23Å; G249-Y329 VanDerWaalsContact CA-O 3.22Å; G249-Y329 WeakPolarHBondContact CA-O 3.4Å
250	L	98.3	Very high	93.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	156.3	-177.1	-65.8	171.4	0	0	0	111.8	I248 F274 M279 I317 L321 I328 Y329 L331	I248-L250 HydrophobicContact CG2-CD1 3.85Å; I248-L250 HydrophobicContact CG2-CD2 4.43Å; I248-L250 HydrophobicContact CG2-CG 3.77Å; L250-F274 HydrophobicContact CB-CB 3.84Å; L250-F274 HydrophobicContact CB-CD1 3.7Å; L250-F274 HydrophobicContact CB-CG 3.98Å; L250-F274 HydrophobicContact CD1-CB 3.67Å; L250-F274 HydrophobicContact CD1-CG 4.14Å; L250-F274 HydrophobicContact CG-CB 4.33Å; L250-M279 HydrophobicContact CD2-CB 3.76Å; L250-M279 HydrophobicContact CD2-CG 3.39Å; L250-M279 HydrophobicContact CD2-SD 3.88Å; L250-I317 HydrophobicContact CD1-CG2 4.15Å; L250-L321 HydrophobicContact CD1-CD1 4.18Å; L250-I328 HydrophobicContact CB-CD1 3.71Å; L250-I328 HydrophobicContact CD1-CD1 3.88Å; L250-I328 HydrophobicContact CG-CD1 3.83Å; L250-Y329 PolarHBondContact N-O 3.41Å; L250-Y329 VanDerWaalsContact N-O 3.12Å; L250-L331 PolarHBondContact O-N 3.39Å
251	V	97.4	Very high	92.2	Very high	2 Å²	2	47 Å²	47	1%	0.012	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	135.6	169.6	176.8	0	0	0	0	109.6	N275 L331 P332 C333 W335 N336	V251-N275 PolarHBondContact O-N 3.27Å; V251-L331 HydrophobicContact CG2-CB 3.51Å; V251-L331 HydrophobicContact CG2-CD1 4.13Å; V251-P332 WeakPolarHBondContact CG2-O 3.31Å; V251-C333 HydrophobicContact CG1-CB 4.44Å; V251-W335 HydrophobicContact CG2-CB 4.29Å; V251-N336 HydrophobicContact CB-CB 3.73Å; V251-N336 HydrophobicContact CG1-CB 4.15Å; V251-N336 HydrophobicContact CG2-CB 3.59Å
252	A	96.3	Very high	90.5	Very high	18 Å²	18	45.7 Å²	45.7	15%	0.149	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	143	175.8	0	0	0	0	0	111.2	Q254 P272 Q338	A252-Q254 PolarHBondContact O-N 3Å; A252-P272 HydrophobicContact CB-CG 4.14Å; A252-Q338 PolarHBondContact O-NE2 3.19Å
253	N	94.7	Very high	88.9	Confident	4 Å²	4	53.4 Å²	53.4	2%	0.021	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-63.5	130.1	177.5	-171.7	3.1	0	0	0	109.4	S255 Y258 P272 G273 Q338	N253-S255 VanDerWaalsContact C-N 3.34Å; N253-S255 PolarHBondContact ND2-OG 2.91Å; N253-S255 PolarHBondContact OD1-N 3.45Å; N253-S255 VanDerWaalsContact OD1-N 3.11Å; N253-S255 PolarHBondContact OD1-OG 3.18Å; N253-Y258 WeakPolarHBondContact ND2-CD2 3.4Å; N253-P272 WeakPolarHBondContact CB-O 3.46Å; N253-G273 WeakPolarHBondContact CB-O 3.47Å; N253-G273 PolarHBondContact N-O 2.82Å; N253-Q338 PolarHBondContact OD1-OE1 3.1Å; N253-Q338 VanDerWaalsContact OD1-OE1 3.12Å
254	Q	93.2	Very high	87.7	Confident	3 Å²	3	56.9 Å²	56.9	1%	0.014	29%	0.286	C	S	.	.	S	Bend	trans	-91.6	-2	-178.5	-65.1	176	-13.3	0	0	112.2	A252 Q338 M343 N344 L347 C348	A252-Q254 PolarHBondContact O-N 3Å; Q254-Q338 HydrophobicContact CB-CB 4.39Å; Q254-M343 HydrophobicContact CB-CG 3.86Å; Q254-N344 PolarHBondContact O-N 3.21Å; Q254-L347 HydrophobicContact CB-CD1 4.47Å; Q254-L347 HydrophobicContact CG-CB 4.47Å; Q254-C348 VanDerWaalsContact NE2-CB 3.26Å
255	S	89.9	Confident	86.9	Confident	16 Å²	16	54.1 Å²	54.1	11%	0.112	27%	0.265	C	S	.	.	S	Bend	trans	-103.2	152.6	171.5	72.1	0	0	0	0	111.1	N253 W257	N253-S255 VanDerWaalsContact C-N 3.34Å; N253-S255 PolarHBondContact ND2-OG 2.91Å; N253-S255 PolarHBondContact OD1-N 3.45Å; N253-S255 VanDerWaalsContact OD1-N 3.11Å; N253-S255 PolarHBondContact OD1-OG 3.18Å; S255-W257 PolarHBondContact O-N 2.98Å
256	P	88.9	Confident	86.6	Confident	46 Å²	46	54 Å²	54	30%	0.299	26%	0.263	S	S	.	.	S	Bend	trans	-77.3	21.1	176.5	34.2	-37.4	0	0	0	113.1	Y258 L259 R260 N342	P256-Y258 VanDerWaalsContact C-N 3.33Å; P256-Y258 PolarHBondContact O-N 3.02Å; P256-L259 HydrophobicContact CB-CB 4.48Å; P256-L259 PolarHBondContact O-N 3.3Å; P256-R260 WeakPolarHBondContact O-CG 3.44Å; P256-R260 PolarHBondContact O-N 2.82Å; P256-N342 WeakPolarHBondContact CD-O 3.38Å
257	W	89.7	Confident	86.3	Confident	48 Å²	48	52.9 Å²	52.9	18%	0.182	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-51.4	-48.9	-172	-179.9	-94	0	0	0	112.7	S255 M310 L311	S255-W257 PolarHBondContact O-N 2.98Å; W257-M310 HydrophobicContact CH2-CE 3.85Å; W257-M310 HydrophobicContact CH2-SD 4.06Å; W257-M310 HydrophobicContact CZ2-CB 4.03Å; W257-M310 HydrophobicContact CZ2-CE 4.26Å; W257-M310 HydrophobicContact CZ2-SD 3.92Å; W257-L311 HydrophobicContact CD2-CD1 4.02Å; W257-L311 HydrophobicContact CG-CD1 3.96Å; W257-L311 HydrophobicContact CZ2-CD1 4.28Å; W257-L311 HydrophobicContact CZ2-CD2 4.38Å; W257-L311 HydrophobicContact CZ2-CG 4.16Å; W257-L311 VanDerWaalsContact NE1-CD1 3.27Å
258	Y	91.6	Very high	86.1	Confident	24 Å²	24	55 Å²	55	9%	0.094	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-82.1	-12.2	180	-62.6	-70.4	0	0	0	114.2	N253 P256 V266 W267 A269 P272 Q314 D315 N318	N253-Y258 WeakPolarHBondContact ND2-CD2 3.4Å; P256-Y258 VanDerWaalsContact C-N 3.33Å; P256-Y258 PolarHBondContact O-N 3.02Å; Y258-V266 HydrophobicContact CD1-CG1 3.89Å; Y258-W267 WeakPolarHBondContact CD1-O 3.36Å; Y258-A269 HydrophobicContact CD1-CB 3.56Å; Y258-A269 HydrophobicContact CD2-CB 4.09Å; Y258-A269 HydrophobicContact CE1-CB 4.2Å; Y258-A269 HydrophobicContact CG-CB 3.51Å; Y258-P272 WeakPolarHBondContact CD2-O 3.27Å; Y258-Q314 PolarHBondContact OH-NE2 2.83Å; Y258-D315 VanDerWaalsContact CE1-OD1 3.31Å; Y258-D315 WeakPolarHBondContact CE1-OD1 3.46Å; Y258-D315 PolarHBondContact OH-OD1 2.81Å; Y258-N318 HydrophobicContact CE1-CB 4.47Å; Y258-N318 PolarHBondContact OH-ND2 3.06Å
259	L	86.7	Confident	85.9	Confident	107 Å²	107	56.1 Å²	56.1	56%	0.56	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-93.7	-12.5	-177.9	-61.4	178	0	0	0	113.2	P256 K261 G271 P272	P256-L259 HydrophobicContact CB-CB 4.48Å; P256-L259 PolarHBondContact O-N 3.3Å; L259-K261 PolarHBondContact O-N 3.28Å; L259-G271 WeakPolarHBondContact CD2-O 3.42Å; L259-P272 HydrophobicContact CD1-CB 4.27Å
260	R	72.5	Confident	85.6	Confident	89 Å²	89	61.4 Å²	61.4	34%	0.336	30%	0.302	S	S	.	.			trans	-74	113	-174.7	-83.5	177.1	-179.6	177.7	7.4	111.5	P256 T262 N342	P256-R260 WeakPolarHBondContact O-CG 3.44Å; P256-R260 PolarHBondContact O-N 2.82Å; R260-T262 HydrophobicContact CB-CG2 3.99Å; R260-T262 HydrophobicContact CG-CG2 4.38Å; R260-T262 PolarHBondContact O-N 3.4Å; R260-N342 PolarHBondContact NH2-OD1 3.44Å; R260-N342 VanDerWaalsContact NH2-OD1 3.16Å
261	K	63.4	Low	85.2	Confident	217 Å²	217	63.5 Å²	63.5	94%	0.943	32%	0.324	S	S	*	.			trans	-75.1	54.2	163.5	-63.6	-173.8	180	-176.8	0	111.5	L259	L259-K261 PolarHBondContact O-N 3.28Å
262	T	61.1	Low	85	Confident	67 Å²	67	65.6 Å²	65.6	41%	0.411	34%	0.337	S	S	.	.	S	Bend	trans	-97.4	162.1	176.9	53.6	0	0	0	0	110.5	R260 R264	R260-T262 HydrophobicContact CB-CG2 3.99Å; R260-T262 HydrophobicContact CG-CG2 4.38Å; R260-T262 PolarHBondContact O-N 3.4Å; T262-R264 PolarHBondContact O-N 3.2Å
263	N	63.8	Low	84.9	Confident	181 Å²	181	64.7 Å²	64.7	97%	0.968	33%	0.33	S	S	*	.	S	Bend	trans	-62.1	14.4	171.4	-71.5	-2.6	0	0	0	114.5
264	R	71	Confident	85	Confident	148 Å²	148	64.6 Å²	64.6	56%	0.558	33%	0.329	S	S	*	.	S	Bend	trans	-91	142	177.2	-63.3	-177.1	179.9	-173.5	-0.9	108.6	T262 V266	T262-R264 PolarHBondContact O-N 3.2Å; R264-V266 HydrophobicContact CB-CG2 4.48Å; R264-V266 PolarHBondContact O-N 2.65Å
265	I	79	Confident	85.2	Confident	76 Å²	76	64.6 Å²	64.6	39%	0.39	33%	0.33	S	S	.	.			trans	-73.7	117.7	173.6	-52.1	177	0	0	0	107.4	I306 P307	I265-I306 HydrophobicContact CG2-CB 3.99Å; I265-I306 HydrophobicContact CG2-CD1 4.42Å; I265-I306 HydrophobicContact CG2-CG1 3.76Å; I265-I306 HydrophobicContact CG2-CG2 3.49Å; I265-I306 VanDerWaalsContact CG2-CG2 3.49Å; I265-P307 HydrophobicContact CD1-CG 3.76Å
266	V	87.9	Confident	85.5	Confident	41 Å²	41	64 Å²	64	25%	0.248	33%	0.325	C	S	.	.			trans	-121.5	131.9	-177.4	178.3	0	0	0	0	108	Y258 R264	Y258-V266 HydrophobicContact CD1-CG1 3.89Å; R264-V266 HydrophobicContact CB-CG2 4.48Å; R264-V266 PolarHBondContact O-N 2.65Å
267	W	93.3	Very high	85.9	Confident	5 Å²	5	61.9 Å²	61.9	2%	0.019	31%	0.311	C	S	.	.			trans	-68.8	147.1	175.8	-78.3	67.1	0	0	0	111	Y258 T299 A302 L303 I306 Y308 D315 I316 A319	Y258-W267 WeakPolarHBondContact CD1-O 3.36Å; W267-T299 HydrophobicContact CH2-CG2 4.19Å; W267-A302 HydrophobicContact CE3-CB 3.92Å; W267-A302 HydrophobicContact CH2-CB 3.8Å; W267-A302 HydrophobicContact CZ3-CB 3.42Å; W267-A302 VanDerWaalsContact CZ3-CB 3.42Å; W267-L303 HydrophobicContact CH2-CD2 4.19Å; W267-L303 HydrophobicContact CH2-CG 4.23Å; W267-L303 HydrophobicContact CZ2-CD2 3.99Å; W267-I306 HydrophobicContact CD2-CD1 4.34Å; W267-I306 HydrophobicContact CD2-CG2 4.48Å; W267-I306 HydrophobicContact CG-CD1 4.17Å; W267-I306 HydrophobicContact CZ2-CG2 4.14Å; W267-Y308 PolarHBondContact NE1-O 3.31Å; W267-D315 HydrophobicContact CB-CB 3.78Å; W267-D315 HydrophobicContact CD2-CB 3.85Å; W267-D315 HydrophobicContact CE3-CB 4.36Å; W267-D315 HydrophobicContact CG-CB 3.56Å; W267-I316 HydrophobicContact CE3-CG1 4.44Å; W267-I316 HydrophobicContact CH2-CG1 4.1Å; W267-I316 HydrophobicContact CZ3-CG1 3.86Å; W267-A319 HydrophobicContact CE3-CB 3.93Å
268	P	93.2	Very high	86.3	Confident	60 Å²	60	59.6 Å²	59.6	39%	0.39	30%	0.302	S	S	.	.			trans	-56.2	142.1	175.7	-23	33.2	0	0	0	111.3	N318 A319 V322	P268-N318 CarbonylContact O-C 3.57Å; P268-N318 VanDerWaalsContact O-C 3.3Å; P268-A319 HydrophobicContact CB-CB 4.35Å; P268-A319 HydrophobicContact CG-CB 4.48Å; P268-A319 WeakPolarHBondContact O-CA 3.1Å; P268-A319 PolarHBondContact O-N 2.69Å; P268-A319 VanDerWaalsContact O-N 3.08Å; P268-V322 HydrophobicContact CB-CG2 3.97Å
269	A	94.2	Very high	86.6	Confident	26 Å²	26	58.5 Å²	58.5	22%	0.215	30%	0.298	C	S	.	.			trans	-147	148.8	174.5	0	0	0	0	0	110.8	Y258 N318 V322	Y258-A269 HydrophobicContact CD1-CB 3.56Å; Y258-A269 HydrophobicContact CD2-CB 4.09Å; Y258-A269 HydrophobicContact CE1-CB 4.2Å; Y258-A269 HydrophobicContact CG-CB 3.51Å; A269-N318 HydrophobicContact CB-CB 3.8Å; A269-V322 VanDerWaalsContact C-CG2 3.49Å
270	W	91.5	Very high	87.2	Confident	112 Å²	112	53.4 Å²	53.4	42%	0.424	27%	0.272	S	S	.	.	S	Bend	trans	-79.8	120.5	173.4	-173.9	81.7	0	0	0	110.4	G273 F274 P325	W270-G273 WeakPolarHBondContact O-CA 3.33Å; W270-G273 PolarHBondContact O-N 2.99Å; W270-F274 AromaticContact CE3-CE2 3.68Å; W270-F274 HydrophobicContact CE3-CE2 3.68Å; W270-F274 AromaticContact CE3-CZ 3.75Å; W270-F274 HydrophobicContact CE3-CZ 3.75Å; W270-F274 HydrophobicContact CZ3-CE2 4.22Å; W270-F274 AromaticContact CZ3-CZ 3.8Å; W270-F274 HydrophobicContact CZ3-CZ 3.8Å; W270-P325 HydrophobicContact CD2-CB 4.15Å; W270-P325 HydrophobicContact CG-CB 4.06Å; W270-P325 HydrophobicContact CZ2-CB 4.47Å
271	G	90.7	Very high	88.4	Confident	44 Å²	44	49.7 Å²	49.7	45%	0.454	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	61	-130.4	-178.1	0	0	0	0	0	112.6	L259 G273	L259-G271 WeakPolarHBondContact CD2-O 3.42Å; G271-G273 PolarHBondContact O-N 3.41Å
272	P	92.3	Very high	90.1	Very high	45 Å²	45	39.8 Å²	39.8	29%	0.292	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-3.6	174.7	32.7	-35.2	0	0	0	113.4	A252 N253 Y258 L259	A252-P272 HydrophobicContact CB-CG 4.14Å; N253-P272 WeakPolarHBondContact CB-O 3.46Å; Y258-P272 WeakPolarHBondContact CD2-O 3.27Å; L259-P272 HydrophobicContact CD1-CB 4.27Å
273	G	95.2	Very high	91.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.196	C	C	.	.			trans	71.9	179.5	-164.7	0	0	0	0	0	112.8	N253 W270 G271 N318	N253-G273 WeakPolarHBondContact CB-O 3.47Å; N253-G273 PolarHBondContact N-O 2.82Å; W270-G273 WeakPolarHBondContact O-CA 3.33Å; W270-G273 PolarHBondContact O-N 2.99Å; G271-G273 PolarHBondContact O-N 3.41Å; G273-N318 WeakPolarHBondContact CA-OD1 3.49Å
274	F	97	Very high	93.5	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.009	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	152	-176.9	-64.5	-85.3	0	0	0	111.3	L250 W270 Q314 N318 L321 I328 Q330	L250-F274 HydrophobicContact CB-CB 3.84Å; L250-F274 HydrophobicContact CB-CD1 3.7Å; L250-F274 HydrophobicContact CB-CG 3.98Å; L250-F274 HydrophobicContact CD1-CB 3.67Å; L250-F274 HydrophobicContact CD1-CG 4.14Å; L250-F274 HydrophobicContact CG-CB 4.33Å; W270-F274 AromaticContact CE3-CE2 3.68Å; W270-F274 HydrophobicContact CE3-CE2 3.68Å; W270-F274 AromaticContact CE3-CZ 3.75Å; W270-F274 HydrophobicContact CE3-CZ 3.75Å; W270-F274 HydrophobicContact CZ3-CE2 4.22Å; W270-F274 AromaticContact CZ3-CZ 3.8Å; W270-F274 HydrophobicContact CZ3-CZ 3.8Å; F274-Q314 WeakPolarHBondContact O-CG 3.42Å; F274-N318 PolarHBondContact N-OD1 3.25Å; F274-N318 PolarHBondContact O-ND2 3.47Å; F274-L321 HydrophobicContact CD2-CD1 3.92Å; F274-L321 HydrophobicContact CE2-CD1 4.34Å; F274-I328 HydrophobicContact CE1-CD1 4.42Å; F274-I328 HydrophobicContact CE1-CG1 3.95Å; F274-I328 HydrophobicContact CE2-CG1 4.11Å; F274-I328 HydrophobicContact CE2-CG2 4.47Å; F274-I328 HydrophobicContact CZ-CG1 3.73Å; F274-I328 HydrophobicContact CZ-CG2 4.27Å; F274-Q330 HydrophobicContact CE1-CG 4.27Å
275	N	96.9	Very high	94.8	Very high	3 Å²	3	26.7 Å²	26.7	2%	0.016	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	132.7	173.5	178.9	-98.2	0	0	0	111.1	V251 G277 Q314 N336 Q338 H380 N382	V251-N275 PolarHBondContact O-N 3.27Å; N275-G277 VanDerWaalsContact C-N 3.35Å; N275-G277 PolarHBondContact O-N 3.32Å; N275-G277 PolarHBondContact OD1-N 3.02Å; N275-Q314 PolarHBondContact ND2-OE1 3.24Å; N275-N336 PolarHBondContact OD1-ND2 3.44Å; N275-Q338 HydrophobicContact CB-CG 4.18Å; N275-H380 PolarHBondContact OD1-CE1 3.18Å; N275-H380 VanDerWaalsContact OD1-CE1 3.24Å; N275-H380 PolarHBondContact OD1-ND1 3.18Å; N275-H380 VanDerWaalsContact OD1-ND1 3.11Å; N275-N382 PolarHBondContact ND2-ND2 2.61Å
276	T	96.7	Very high	95.6	Very high	4 Å²	4	23.2 Å²	23.2	3%	0.025	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	16.1	-175	55.9	0	0	0	0	113.9	K205 V278 M279 D313 Q314 I317	K205-T276 PolarHBondContact NZ-O 3.45Å; T276-V278 VanDerWaalsContact C-N 3.32Å; T276-M279 HydrophobicContact CG2-SD 3.8Å; T276-D313 WeakPolarHBondContact CB-OD2 3.16Å; T276-D313 PolarHBondContact OG1-OD2 3.43Å; T276-Q314 HydrophobicContact CG2-CB 4.1Å; T276-Q314 HydrophobicContact CG2-CG 4.02Å; T276-I317 HydrophobicContact CG2-CB 4.36Å; T276-I317 HydrophobicContact CG2-CD1 3.72Å; T276-I317 HydrophobicContact CG2-CG2 4.45Å
277	G	96.1	Very high	96.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	-24.5	176.1	0	0	0	0	0	114	L222 D223 L226 N275	L222-G277 CarbonylContact C-O 3.51Å; L222-G277 WeakPolarHBondContact CA-O 3.35Å; D223-G277 PolarHBondContact N-O 3.5Å; D223-G277 WeakPolarHBondContact OD2-CA 3.44Å; L226-G277 WeakPolarHBondContact CD1-O 3.39Å; N275-G277 VanDerWaalsContact C-N 3.35Å; N275-G277 PolarHBondContact O-N 3.32Å; N275-G277 PolarHBondContact OD1-N 3.02Å
278	V	98.2	Very high	96.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	115.8	171.6	-179.9	0	0	0	0	108	N221 L222 L226 L235 T276 N336 I378	N221-V278 WeakPolarHBondContact O-CA 3.38Å; L222-V278 HydrophobicContact CD2-CB 4.38Å; L222-V278 HydrophobicContact CD2-CG1 4.02Å; L222-V278 HydrophobicContact CD2-CG2 4.01Å; L226-V278 HydrophobicContact CD1-CG2 3.74Å; L226-V278 HydrophobicContact CD2-CG2 4.45Å; L235-V278 HydrophobicContact CD2-CG1 3.92Å; T276-V278 VanDerWaalsContact C-N 3.32Å; V278-N336 HydrophobicContact CB-CB 4.15Å; V278-N336 HydrophobicContact CG2-CB 4.02Å; V278-I378 HydrophobicContact CG1-CD1 4.37Å; V278-I378 HydrophobicContact CG2-CD1 4.19Å; V278-I378 HydrophobicContact CG2-CG2 4.12Å
279	M	98.5	Very high	96.3	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.01	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	135.1	179.8	-39.4	-164.3	-88.9	0	0	111.4	K205 I208 I220 N221 G249 L250 T276 L281 I317	K205-M279 HydrophobicContact CB-CE 4.22Å; K205-M279 HydrophobicContact CD-CE 4.19Å; K205-M279 HydrophobicContact CG-CE 4.48Å; I208-M279 HydrophobicContact CD1-CE 4.3Å; I220-M279 CarbonylContact C-O 3.56Å; I220-M279 WeakPolarHBondContact CA-O 3.5Å; N221-M279 HydrophobicContact CB-CB 4.19Å; N221-M279 HydrophobicContact CB-CE 4Å; N221-M279 PolarHBondContact N-O 2.92Å; N221-M279 PolarHBondContact O-N 3.33Å; N221-M279 WeakPolarHBondContact OD1-CE 3.41Å; G249-M279 CarbonylContact O-C 3.55Å; G249-M279 WeakPolarHBondContact O-CA 3.27Å; L250-M279 HydrophobicContact CD2-CB 3.76Å; L250-M279 HydrophobicContact CD2-CG 3.39Å; L250-M279 HydrophobicContact CD2-SD 3.88Å; T276-M279 HydrophobicContact CG2-SD 3.8Å; M279-L281 HydrophobicContact CB-CD2 4.07Å; M279-L281 HydrophobicContact CB-CG 4.2Å; M279-L281 HydrophobicContact CE-CD1 4.48Å; M279-I317 HydrophobicContact SD-CD1 4.04Å
280	L	98.7	Very high	96.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	122.4	163.1	-73	86.5	0	0	0	108.2	L235 H238 F239 F242 I248 G249 L331	L235-L280 HydrophobicContact CD1-CD1 3.78Å; L235-L280 HydrophobicContact CG-CD1 4.29Å; H238-L280 HydrophobicContact CB-CD2 3.81Å; F239-L280 HydrophobicContact CD1-CB 4.38Å; F239-L280 HydrophobicContact CD1-CD2 4.28Å; F239-L280 HydrophobicContact CD2-CD2 3.83Å; F239-L280 HydrophobicContact CE1-CB 3.71Å; F239-L280 HydrophobicContact CE1-CD2 4.28Å; F239-L280 HydrophobicContact CE1-CG 4.45Å; F239-L280 HydrophobicContact CE2-CB 4.2Å; F239-L280 HydrophobicContact CE2-CD2 3.83Å; F239-L280 HydrophobicContact CE2-CG 4.13Å; F239-L280 HydrophobicContact CG-CD2 4.06Å; F239-L280 HydrophobicContact CZ-CB 3.6Å; F239-L280 HydrophobicContact CZ-CD2 4.06Å; F239-L280 HydrophobicContact CZ-CG 4.04Å; F242-L280 HydrophobicContact CZ-CB 3.93Å; I248-L280 CarbonylContact C-O 3.52Å; I248-L280 WeakPolarHBondContact CA-O 3.09Å; G249-L280 PolarHBondContact N-O 3.44Å; G249-L280 PolarHBondContact O-N 3.23Å; L280-L331 HydrophobicContact CD1-CD1 3.27Å; L280-L331 HydrophobicContact CD1-CD2 3.75Å; L280-L331 HydrophobicContact CD1-CG 3.88Å
281	L	98.6	Very high	96.5	Very high	10 Å²	10	30.5 Å²	30.5	5%	0.052	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	118	-178.2	-55.5	175.5	0	0	0	109.5	I208 K218 V219 N221 I248 M279 L283 L286	I208-L281 HydrophobicContact CB-CD1 4.29Å; I208-L281 HydrophobicContact CD1-CD1 4.05Å; I208-L281 HydrophobicContact CG2-CD1 3.92Å; K218-L281 WeakPolarHBondContact CA-O 3.21Å; V219-L281 HydrophobicContact CG1-CB 3.94Å; V219-L281 HydrophobicContact CG1-CD1 4.25Å; V219-L281 PolarHBondContact N-O 2.91Å; V219-L281 PolarHBondContact O-N 2.76Å; N221-L281 HydrophobicContact CB-CD1 4.2Å; I248-L281 HydrophobicContact CG1-CD2 4.21Å; I248-L281 HydrophobicContact CG2-CD2 4.14Å; M279-L281 HydrophobicContact CB-CD2 4.07Å; M279-L281 HydrophobicContact CB-CG 4.2Å; M279-L281 HydrophobicContact CE-CD1 4.48Å; L281-L283 HydrophobicContact CB-CD2 3.75Å; L281-L283 HydrophobicContact CD1-CD2 4.44Å; L281-L283 PolarHBondContact O-N 3.32Å; L281-L286 HydrophobicContact CB-CD1 3.89Å; L281-L286 HydrophobicContact CD2-CD1 4.11Å
282	D	98.5	Very high	96.7	Very high	9 Å²	9	29.8 Å²	29.8	5%	0.048	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	95.4	165.7	-169	-50.2	0	0	0	107.6	K218 M247 V284 R285 L286	K218-D282 WeakPolarHBondContact CE-OD2 3.22Å; K218-D282 HydrophobicContact CG-CB 4.42Å; K218-D282 IonicContact NZ-OD2 3.24Å; M247-D282 HydrophobicContact CB-CB 4.24Å; M247-D282 PolarHBondContact O-N 3.45Å; D282-V284 VanDerWaalsContact C-N 3.27Å; D282-V284 PolarHBondContact O-N 3.11Å; D282-V284 PolarHBondContact OD1-N 2.73Å; D282-R285 HydrophobicContact CB-CB 4.33Å; D282-R285 PolarHBondContact O-N 3.24Å; D282-R285 WeakPolarHBondContact OD1-CG 3.35Å; D282-R285 PolarHBondContact OD1-N 3.46Å; D282-R285 VanDerWaalsContact OD1-N 3.1Å; D282-R285 IonicContact OD2-NE 3.58Å; D282-L286 WeakPolarHBondContact O-CB 3.08Å; D282-L286 WeakPolarHBondContact O-CD1 3.38Å; D282-L286 VanDerWaalsContact O-CG 3.25Å; D282-L286 WeakPolarHBondContact O-CG 3.26Å; D282-L286 PolarHBondContact O-N 2.67Å
283	L	98.3	Very high	96.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-69.3	-28.2	-171.2	-57.6	-176.6	0	0	0	111.9	I208 P209 L212 V216 E217 V219 L281 L286 R287	I208-L283 HydrophobicContact CG2-CD2 4.18Å; P209-L283 HydrophobicContact CB-CD2 4.34Å; P209-L283 HydrophobicContact CG-CD2 4.17Å; L212-L283 HydrophobicContact CB-CD1 4.05Å; L212-L283 HydrophobicContact CD1-CD1 3.87Å; V216-L283 HydrophobicContact CB-CD1 4.28Å; V216-L283 HydrophobicContact CG1-CD1 3.86Å; E217-L283 WeakPolarHBondContact O-CB 3.45Å; E217-L283 PolarHBondContact O-N 3.37Å; V219-L283 HydrophobicContact CB-CD1 4.39Å; V219-L283 HydrophobicContact CG1-CD1 3.87Å; V219-L283 HydrophobicContact CG1-CD2 3.94Å; V219-L283 HydrophobicContact CG1-CG 4.01Å; L281-L283 HydrophobicContact CB-CD2 3.75Å; L281-L283 HydrophobicContact CD1-CD2 4.44Å; L281-L283 PolarHBondContact O-N 3.32Å; L283-L286 HydrophobicContact CD2-CD1 4.23Å; L283-R287 WeakPolarHBondContact O-CB 3.37Å; L283-R287 WeakPolarHBondContact O-CD 3.38Å; L283-R287 WeakPolarHBondContact O-CG 3.41Å; L283-R287 PolarHBondContact O-N 3.14Å
284	V	97.8	Very high	97	Very high	50 Å²	50	33.9 Å²	33.9	30%	0.303	17%	0.166	S	C	.	.	H	α-helix	trans	-62.9	-55.6	174.7	-179.2	0	0	0	0	109.2	E217 D282 L286 R287 E288	E217-V284 HydrophobicContact CB-CG2 3.82Å; E217-V284 HydrophobicContact CG-CG2 3.92Å; E217-V284 PolarHBondContact O-N 3.37Å; D282-V284 VanDerWaalsContact C-N 3.27Å; D282-V284 PolarHBondContact O-N 3.11Å; D282-V284 PolarHBondContact OD1-N 2.73Å; V284-L286 VanDerWaalsContact C-N 3.32Å; V284-L286 PolarHBondContact O-N 3.35Å; V284-R287 PolarHBondContact O-N 2.72Å; V284-E288 WeakPolarHBondContact O-CG 3.02Å; V284-E288 PolarHBondContact O-N 3.08Å
285	R	97.4	Very high	97	Very high	72 Å²	72	34 Å²	34	27%	0.272	17%	0.166	S	C	.	.	H	α-helix	trans	-64.4	-35.6	-179.7	-67	178.8	-178	-172	-2.4	112.9	N243 Q246 M247 D282 S289	N243-R285 PolarHBondContact O-NH1 3.43Å; Q246-R285 PolarHBondContact O-NH1 3.04Å; M247-R285 HydrophobicContact CB-CB 3.63Å; M247-R285 HydrophobicContact CE-CB 4.36Å; M247-R285 HydrophobicContact SD-CB 4.39Å; D282-R285 HydrophobicContact CB-CB 4.33Å; D282-R285 PolarHBondContact O-N 3.24Å; D282-R285 WeakPolarHBondContact OD1-CG 3.35Å; D282-R285 PolarHBondContact OD1-N 3.46Å; D282-R285 VanDerWaalsContact OD1-N 3.1Å; D282-R285 IonicContact OD2-NE 3.58Å; R285-S289 VanDerWaalsContact O-CB 3.28Å; R285-S289 WeakPolarHBondContact O-CB 3.41Å; R285-S289 PolarHBondContact O-N 2.97Å; R285-S289 PolarHBondContact O-OG 3.24Å
286	L	97.5	Very high	97	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.01	18%	0.184	C	C	.	.	H	α-helix	trans	-64.9	-40	175.8	-75.3	165.4	0	0	0	112.3	P209 M247 I248 L281 D282 L283 V284 S289 H290 W291	P209-L286 HydrophobicContact CB-CB 4.48Å; P209-L286 HydrophobicContact CG-CB 4.32Å; P209-L286 HydrophobicContact CG-CD1 4.17Å; M247-L286 HydrophobicContact CB-CD2 4.5Å; M247-L286 HydrophobicContact CB-CG 4.27Å; M247-L286 HydrophobicContact CG-CD2 3.72Å; M247-L286 HydrophobicContact CG-CG 4.01Å; M247-L286 HydrophobicContact SD-CD2 3.65Å; M247-L286 HydrophobicContact SD-CG 4.07Å; I248-L286 HydrophobicContact CD1-CD2 3.9Å; I248-L286 HydrophobicContact CG1-CD1 4.43Å; I248-L286 HydrophobicContact CG1-CD2 3.79Å; L281-L286 HydrophobicContact CB-CD1 3.89Å; L281-L286 HydrophobicContact CD2-CD1 4.11Å; D282-L286 WeakPolarHBondContact O-CB 3.08Å; D282-L286 WeakPolarHBondContact O-CD1 3.38Å; D282-L286 VanDerWaalsContact O-CG 3.25Å; D282-L286 WeakPolarHBondContact O-CG 3.26Å; D282-L286 PolarHBondContact O-N 2.67Å; L283-L286 HydrophobicContact CD2-CD1 4.23Å; V284-L286 VanDerWaalsContact C-N 3.32Å; V284-L286 PolarHBondContact O-N 3.35Å; L286-S289 PolarHBondContact O-OG 3Å; L286-H290 PolarHBondContact O-N 3.21Å; L286-W291 HydrophobicContact CB-CB 4.14Å; L286-W291 HydrophobicContact CD2-CB 3.7Å; L286-W291 HydrophobicContact CD2-CD2 3.82Å; L286-W291 HydrophobicContact CD2-CE3 4.32Å; L286-W291 HydrophobicContact CD2-CG 3.5Å; L286-W291 VanDerWaalsContact O-CB 3.22Å; L286-W291 WeakPolarHBondContact O-CB 3.35Å; L286-W291 PolarHBondContact O-N 2.99Å
287	R	97.3	Very high	97	Very high	64 Å²	64	44.2 Å²	44.2	24%	0.242	21%	0.208	C	C	.	.	H	α-helix	trans	-69.2	-45.3	176.2	-70.5	168.5	-170	140.3	-5.1	111.2	P209 L212 P213 V216 L283 V284 S289 H290	P209-R287 HydrophobicContact CB-CG 4.44Å; P209-R287 PolarHBondContact O-NE 3.2Å; P209-R287 PolarHBondContact O-NH2 3.4Å; L212-R287 PolarHBondContact O-NH2 2.84Å; P213-R287 PolarHBondContact O-NH2 3.18Å; V216-R287 PolarHBondContact O-NH1 3.41Å; L283-R287 WeakPolarHBondContact O-CB 3.37Å; L283-R287 WeakPolarHBondContact O-CD 3.38Å; L283-R287 WeakPolarHBondContact O-CG 3.41Å; L283-R287 PolarHBondContact O-N 3.14Å; V284-R287 PolarHBondContact O-N 2.72Å; R287-S289 VanDerWaalsContact C-N 3.32Å; R287-S289 PolarHBondContact O-N 3.2Å; R287-H290 PolarHBondContact O-N 3.42Å; R287-H290 VanDerWaalsContact O-N 3.13Å
288	E	96.1	Very high	97.1	Very high	139 Å²	139	44.6 Å²	44.6	65%	0.65	21%	0.21	S	C	*	.	H	α-helix	trans	-64.1	-33.6	178.8	-71.6	174.7	169.9	0	0	113.3	V284 H290	V284-E288 WeakPolarHBondContact O-CG 3.02Å; V284-E288 PolarHBondContact O-N 3.08Å; E288-H290 PolarHBondContact O-N 3.28Å
289	S	94.4	Very high	97	Very high	56 Å²	56	44.6 Å²	44.6	39%	0.392	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	4.2	176.3	59.7	0	0	0	0	114	M247 R285 L286 R287 W291	M247-S289 PolarHBondContact SD-OG 3.32Å; R285-S289 VanDerWaalsContact O-CB 3.28Å; R285-S289 WeakPolarHBondContact O-CB 3.41Å; R285-S289 PolarHBondContact O-N 2.97Å; R285-S289 PolarHBondContact O-OG 3.24Å; L286-S289 PolarHBondContact O-OG 3Å; R287-S289 VanDerWaalsContact C-N 3.32Å; R287-S289 PolarHBondContact O-N 3.2Å; S289-W291 PolarHBondContact O-N 3.45Å
290	H	95.1	Very high	96.9	Very high	126 Å²	126	48.8 Å²	48.8	58%	0.583	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.7	40.4	-175.6	-58.2	-72.1	0	0	0	113.1	L286 R287 E288 S292 E293 H294	L286-H290 PolarHBondContact O-N 3.21Å; R287-H290 PolarHBondContact O-N 3.42Å; R287-H290 VanDerWaalsContact O-N 3.13Å; E288-H290 PolarHBondContact O-N 3.28Å; H290-S292 PolarHBondContact O-N 2.87Å; H290-E293 HydrophobicContact CB-CB 4.38Å; H290-E293 WeakPolarHBondContact O-CB 3.48Å; H290-E293 PolarHBondContact O-N 3.05Å; H290-H294 PolarHBondContact O-N 3.04Å
291	W	95.4	Very high	96.8	Very high	12 Å²	12	51.8 Å²	51.8	5%	0.045	25%	0.249	C	C	.	.	H	α-helix	trans	-49.4	-38.6	-179	171.9	-106.5	0	0	0	113.2	I248 L286 S289 E293 H294 W295 I317 A320 I324 I327	I248-W291 HydrophobicContact CD1-CD2 4.4Å; I248-W291 HydrophobicContact CD1-CE3 4.41Å; I248-W291 HydrophobicContact CD1-CH2 3.87Å; I248-W291 HydrophobicContact CD1-CZ2 3.85Å; I248-W291 HydrophobicContact CD1-CZ3 4.16Å; L286-W291 HydrophobicContact CB-CB 4.14Å; L286-W291 HydrophobicContact CD2-CB 3.7Å; L286-W291 HydrophobicContact CD2-CD2 3.82Å; L286-W291 HydrophobicContact CD2-CE3 4.32Å; L286-W291 HydrophobicContact CD2-CG 3.5Å; L286-W291 VanDerWaalsContact O-CB 3.22Å; L286-W291 WeakPolarHBondContact O-CB 3.35Å; L286-W291 PolarHBondContact O-N 2.99Å; S289-W291 PolarHBondContact O-N 3.45Å; W291-E293 VanDerWaalsContact C-N 3.34Å; W291-E293 PolarHBondContact O-N 2.86Å; W291-H294 AromaticContact CZ3-CD2 3.8Å; W291-H294 WeakPolarHBondContact O-CB 3.37Å; W291-H294 PolarHBondContact O-N 3.02Å; W291-W295 AromaticContact CD1-CD1 3.81Å; W291-W295 HydrophobicContact CZ2-CB 4.41Å; W291-W295 AromaticContact NE1-CD1 3.6Å; W291-W295 PolarHBondContact O-N 3Å; W291-I317 HydrophobicContact CZ2-CG1 4.24Å; W291-A320 HydrophobicContact CH2-CB 3.66Å; W291-A320 HydrophobicContact CZ2-CB 4.44Å; W291-A320 HydrophobicContact CZ3-CB 4.09Å; W291-I324 HydrophobicContact CE3-CD1 4.47Å; W291-I324 HydrophobicContact CZ3-CD1 4.22Å; W291-I327 HydrophobicContact CE3-CD1 3.91Å; W291-I327 HydrophobicContact CH2-CD1 4.33Å; W291-I327 HydrophobicContact CZ3-CD1 3.5Å
292	S	95.2	Very high	96.6	Very high	30 Å²	30	52 Å²	52	21%	0.21	25%	0.252	C	S	.	.	H	α-helix	trans	-59.8	-41.1	178.6	-73.1	0	0	0	0	114	E210 H290 W295 Y296	E210-S292 WeakPolarHBondContact CG-OG 3.13Å; E210-S292 WeakPolarHBondContact OE1-CB 3.37Å; E210-S292 PolarHBondContact OE1-OG 2.84Å; H290-S292 PolarHBondContact O-N 2.87Å; S292-W295 PolarHBondContact O-NE1 3.13Å; S292-Y296 VanDerWaalsContact O-CB 3.24Å; S292-Y296 WeakPolarHBondContact O-CB 3.34Å; S292-Y296 PolarHBondContact O-N 2.88Å
293	E	96.6	Very high	96.5	Very high	97 Å²	97	53.5 Å²	53.5	45%	0.453	26%	0.26	S	S	.	.	H	α-helix	trans	-71.1	-36.9	176.8	-174	178.7	171	0	0	111	H290 W291 Y296 K297	H290-E293 HydrophobicContact CB-CB 4.38Å; H290-E293 WeakPolarHBondContact O-CB 3.48Å; H290-E293 PolarHBondContact O-N 3.05Å; W291-E293 VanDerWaalsContact C-N 3.34Å; W291-E293 PolarHBondContact O-N 2.86Å; E293-Y296 PolarHBondContact O-N 2.82Å; E293-K297 HydrophobicContact CG-CD 4.23Å; E293-K297 WeakPolarHBondContact O-CG 3.41Å; E293-K297 PolarHBondContact O-N 2.8Å; E293-K297 WeakPolarHBondContact OE1-CE 3.35Å; E293-K297 IonicContact OE1-NZ 2.96Å; E293-K297 PolarHBondContact OE1-NZ 2.99Å
294	H	96.8	Very high	96.3	Very high	34 Å²	34	60.5 Å²	60.5	16%	0.157	29%	0.293	C	S	.	.	H	α-helix	trans	-60.6	-59.1	178.7	-173.8	64	0	0	0	111.9	H290 W291 Y296 K297 T298 A320 E323 I324	H290-H294 PolarHBondContact O-N 3.04Å; W291-H294 AromaticContact CZ3-CD2 3.8Å; W291-H294 WeakPolarHBondContact O-CB 3.37Å; W291-H294 PolarHBondContact O-N 3.02Å; H294-Y296 PolarHBondContact O-N 2.75Å; H294-K297 PolarHBondContact O-N 3.41Å; H294-T298 PolarHBondContact O-N 3.04Å; H294-T298 PolarHBondContact O-OG1 3.49Å; H294-A320 PolarHBondContact NE2-O 3.45Å; H294-E323 IonicContact CE1-OE2 3.22Å; H294-E323 PolarHBondContact CE1-OE2 3.29Å; H294-I324 WeakPolarHBondContact NE2-CD1 3.44Å
295	W	96.7	Very high	96	Very high	5 Å²	5	65.3 Å²	65.3	2%	0.019	31%	0.312	C	S	.	.	H	α-helix	trans	-63.1	-32.4	-179.8	74.4	-108.6	0	0	0	111.8	V189 W191 I192 L206 L207 W291 S292 T299 I316 A320	V189-W295 HydrophobicContact CG1-CH2 4.25Å; W191-W295 HydrophobicContact CZ2-CZ3 4.31Å; I192-W295 HydrophobicContact CD1-CZ3 4.03Å; L206-W295 HydrophobicContact CB-CD2 4.31Å; L206-W295 HydrophobicContact CB-CZ2 4.19Å; L206-W295 HydrophobicContact CD1-CD2 4.32Å; L206-W295 HydrophobicContact CD1-CE3 3.96Å; L206-W295 HydrophobicContact CD1-CZ3 4.08Å; L206-W295 HydrophobicContact CD2-CD2 4.4Å; L206-W295 HydrophobicContact CD2-CG 4.39Å; L206-W295 PolarHBondContact O-NE1 2.95Å; L207-W295 HydrophobicContact CD2-CH2 4.41Å; L207-W295 HydrophobicContact CD2-CZ2 3.89Å; W291-W295 AromaticContact CD1-CD1 3.81Å; W291-W295 HydrophobicContact CZ2-CB 4.41Å; W291-W295 AromaticContact NE1-CD1 3.6Å; W291-W295 PolarHBondContact O-N 3Å; S292-W295 PolarHBondContact O-NE1 3.13Å; W295-T299 VanDerWaalsContact O-CB 3.26Å; W295-T299 WeakPolarHBondContact O-CB 3.47Å; W295-T299 PolarHBondContact O-N 3.36Å; W295-T299 PolarHBondContact O-OG1 3.13Å; W295-I316 HydrophobicContact CB-CG2 4.05Å; W295-I316 HydrophobicContact CE3-CG2 4.14Å; W295-A320 HydrophobicContact CB-CB 4.33Å
296	Y	97.2	Very high	95.8	Very high	101 Å²	101	62.7 Å²	62.7	40%	0.396	30%	0.303	S	S	.	.	H	α-helix	trans	-61.4	-49.4	176.1	177.4	-86.5	0	0	0	111.4	W191 S292 E293 H294 T299 K300	W191-Y296 AromaticContact CE2-CE2 3.93Å; W191-Y296 HydrophobicContact CH2-CD2 4.33Å; W191-Y296 HydrophobicContact CH2-CE2 4.24Å; W191-Y296 AromaticContact CZ2-CD2 3.57Å; W191-Y296 HydrophobicContact CZ2-CD2 3.57Å; W191-Y296 AromaticContact CZ2-CE2 3.53Å; W191-Y296 HydrophobicContact CZ2-CE2 3.53Å; S292-Y296 VanDerWaalsContact O-CB 3.24Å; S292-Y296 WeakPolarHBondContact O-CB 3.34Å; S292-Y296 PolarHBondContact O-N 2.88Å; E293-Y296 PolarHBondContact O-N 2.82Å; H294-Y296 PolarHBondContact O-N 2.75Å; Y296-T299 PolarHBondContact O-N 2.74Å; Y296-K300 HydrophobicContact CD1-CG 4.33Å; Y296-K300 HydrophobicContact CE1-CG 3.9Å; Y296-K300 WeakPolarHBondContact O-CG 3.23Å; Y296-K300 PolarHBondContact O-N 3.42Å; Y296-K300 VanDerWaalsContact OH-CE 3.28Å; Y296-K300 WeakPolarHBondContact OH-CE 3.2Å
297	K	97.4	Very high	95.6	Very high	119 Å²	119	65.9 Å²	65.9	52%	0.517	32%	0.324	S	S	.	.	H	α-helix	trans	-63.6	-47.3	178.1	-74.9	176.8	-177.5	170.4	0	111.6	E293 H294 T299 K300 S301	E293-K297 HydrophobicContact CG-CD 4.23Å; E293-K297 WeakPolarHBondContact O-CG 3.41Å; E293-K297 PolarHBondContact O-N 2.8Å; E293-K297 WeakPolarHBondContact OE1-CE 3.35Å; E293-K297 IonicContact OE1-NZ 2.96Å; E293-K297 PolarHBondContact OE1-NZ 2.99Å; H294-K297 PolarHBondContact O-N 3.41Å; K297-T299 VanDerWaalsContact C-N 3.28Å; K297-T299 PolarHBondContact O-N 2.95Å; K297-K300 PolarHBondContact O-N 3.4Å; K297-S301 PolarHBondContact O-N 3.36Å
298	T	96.7	Very high	95.4	Very high	9 Å²	9	67.1 Å²	67.1	6%	0.055	33%	0.329	C	S	.	.	H	α-helix	trans	-58.6	-42.3	176.5	-57.3	0	0	0	0	111.1	H294 S301 A302 A319 A320 E323	H294-T298 PolarHBondContact O-N 3.04Å; H294-T298 PolarHBondContact O-OG1 3.49Å; T298-S301 PolarHBondContact O-N 3.2Å; T298-A302 VanDerWaalsContact O-CB 3.31Å; T298-A302 WeakPolarHBondContact O-CB 3.46Å; T298-A302 PolarHBondContact O-N 3.04Å; T298-A319 HydrophobicContact CG2-CB 3.83Å; T298-A320 HydrophobicContact CG2-CB 4.48Å; T298-E323 WeakPolarHBondContact CG2-OE1 3.29Å; T298-E323 PolarHBondContact OG1-OE1 3.18Å
299	T	96.9	Very high	95.2	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-63.4	-46.2	177.4	-57.5	0	0	0	0	111.5	W191 I192 W267 W295 Y296 K297 S301 A302 L303 I316	W191-T299 HydrophobicContact CH2-CG2 3.61Å; W191-T299 HydrophobicContact CZ2-CG2 4.41Å; W191-T299 HydrophobicContact CZ3-CG2 4.08Å; I192-T299 HydrophobicContact CD1-CG2 4.08Å; I192-T299 HydrophobicContact CG1-CG2 4.07Å; I192-T299 HydrophobicContact CG2-CG2 4.27Å; W267-T299 HydrophobicContact CH2-CG2 4.19Å; W295-T299 VanDerWaalsContact O-CB 3.26Å; W295-T299 WeakPolarHBondContact O-CB 3.47Å; W295-T299 PolarHBondContact O-N 3.36Å; W295-T299 PolarHBondContact O-OG1 3.13Å; Y296-T299 PolarHBondContact O-N 2.74Å; K297-T299 VanDerWaalsContact C-N 3.28Å; K297-T299 PolarHBondContact O-N 2.95Å; T299-S301 VanDerWaalsContact C-N 3.32Å; T299-S301 PolarHBondContact O-N 3.43Å; T299-A302 PolarHBondContact O-N 3.28Å; T299-L303 HydrophobicContact CG2-CD1 3.83Å; T299-L303 HydrophobicContact CG2-CG 4.28Å; T299-L303 WeakPolarHBondContact O-CB 3.35Å; T299-L303 VanDerWaalsContact O-CG 3.24Å; T299-L303 WeakPolarHBondContact O-CG 3.28Å; T299-L303 PolarHBondContact O-N 2.88Å; T299-I316 HydrophobicContact CG2-CD1 4.1Å; T299-I316 HydrophobicContact CG2-CG1 4.33Å; T299-I316 WeakPolarHBondContact OG1-CG2 3.37Å
300	K	96.7	Very high	95.1	Very high	90 Å²	90	60.9 Å²	60.9	39%	0.391	30%	0.295	S	S	.	.	H	α-helix	trans	-59.9	-41.7	176.7	-77	-70	-176.4	-172.3	0	112.1	W191 Y296 K297	W191-K300 HydrophobicContact CE3-CD 4.35Å; W191-K300 HydrophobicContact CH2-CD 3.83Å; W191-K300 HydrophobicContact CH2-CG 3.84Å; W191-K300 HydrophobicContact CZ3-CD 3.55Å; W191-K300 HydrophobicContact CZ3-CG 4.08Å; Y296-K300 HydrophobicContact CD1-CG 4.33Å; Y296-K300 HydrophobicContact CE1-CG 3.9Å; Y296-K300 WeakPolarHBondContact O-CG 3.23Å; Y296-K300 PolarHBondContact O-N 3.42Å; Y296-K300 VanDerWaalsContact OH-CE 3.28Å; Y296-K300 WeakPolarHBondContact OH-CE 3.2Å; K297-K300 PolarHBondContact O-N 3.4Å
301	S	95.8	Very high	95	Very high	63 Å²	63	56.8 Å²	56.8	44%	0.441	28%	0.277	S	S	.	.	H	α-helix	trans	-68.1	-46.1	177.7	-177.3	0	0	0	0	112	K297 T298 T299 L303 Q304	K297-S301 PolarHBondContact O-N 3.36Å; T298-S301 PolarHBondContact O-N 3.2Å; T299-S301 VanDerWaalsContact C-N 3.32Å; T299-S301 PolarHBondContact O-N 3.43Å; S301-L303 VanDerWaalsContact C-N 3.32Å; S301-L303 PolarHBondContact O-N 2.81Å; S301-Q304 WeakPolarHBondContact O-CB 3.43Å; S301-Q304 PolarHBondContact O-N 3.08Å
302	A	95.1	Very high	94.9	Very high	13 Å²	13	56.2 Å²	56.2	11%	0.107	28%	0.275	C	S	.	.	H	α-helix	trans	-61	-40.6	177.8	0	0	0	0	0	111.9	W267 T298 T299 Q304 H305 I306	W267-A302 HydrophobicContact CE3-CB 3.92Å; W267-A302 HydrophobicContact CH2-CB 3.8Å; W267-A302 HydrophobicContact CZ3-CB 3.42Å; W267-A302 VanDerWaalsContact CZ3-CB 3.42Å; T298-A302 VanDerWaalsContact O-CB 3.31Å; T298-A302 WeakPolarHBondContact O-CB 3.46Å; T298-A302 PolarHBondContact O-N 3.04Å; T299-A302 PolarHBondContact O-N 3.28Å; A302-Q304 PolarHBondContact O-N 2.94Å; A302-Q304 VanDerWaalsContact O-N 3.14Å; A302-H305 PolarHBondContact O-N 3.2Å; A302-I306 PolarHBondContact O-N 3.35Å
303	L	95.5	Very high	94.9	Very high	41 Å²	41	55.1 Å²	55.1	22%	0.215	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-11.5	179.5	-72.4	173.6	0	0	0	114.6	W191 W267 T299 S301 H305 I306	W191-L303 HydrophobicContact CE3-CD1 4.24Å; W191-L303 HydrophobicContact CH2-CD1 4.47Å; W191-L303 HydrophobicContact CZ3-CD1 3.61Å; W267-L303 HydrophobicContact CH2-CD2 4.19Å; W267-L303 HydrophobicContact CH2-CG 4.23Å; W267-L303 HydrophobicContact CZ2-CD2 3.99Å; T299-L303 HydrophobicContact CG2-CD1 3.83Å; T299-L303 HydrophobicContact CG2-CG 4.28Å; T299-L303 WeakPolarHBondContact O-CB 3.35Å; T299-L303 VanDerWaalsContact O-CG 3.24Å; T299-L303 WeakPolarHBondContact O-CG 3.28Å; T299-L303 PolarHBondContact O-N 2.88Å; S301-L303 VanDerWaalsContact C-N 3.32Å; S301-L303 PolarHBondContact O-N 2.81Å; L303-H305 PolarHBondContact O-N 3.45Å; L303-I306 VanDerWaalsContact CA-O 3.31Å; L303-I306 WeakPolarHBondContact CA-O 3.22Å; L303-I306 VanDerWaalsContact CD2-O 3.29Å; L303-I306 WeakPolarHBondContact CD2-O 3.4Å
304	Q	94.7	Very high	94.9	Very high	147 Å²	147	51.1 Å²	51.1	69%	0.687	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-23.3	169.5	-65	175	-19.2	0	0	112.3	S301 A302	S301-Q304 WeakPolarHBondContact O-CB 3.43Å; S301-Q304 PolarHBondContact O-N 3.08Å; A302-Q304 PolarHBondContact O-N 2.94Å; A302-Q304 VanDerWaalsContact O-N 3.14Å
305	H	92.5	Very high	94.9	Very high	152 Å²	152	49.6 Å²	49.6	70%	0.704	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-123.3	-21.3	-173.8	-54.4	91.4	0	0	0	113	A302 L303	A302-H305 PolarHBondContact O-N 3.2Å; L303-H305 PolarHBondContact O-N 3.45Å
306	I	92.5	Very high	94.9	Very high	16 Å²	16	49.4 Å²	49.4	8%	0.082	24%	0.24	C	C	.	.			trans	-121.7	117.2	-177.6	-61	175.5	0	0	0	108.6	I265 W267 A302 L303 Y308	I265-I306 HydrophobicContact CG2-CB 3.99Å; I265-I306 HydrophobicContact CG2-CD1 4.42Å; I265-I306 HydrophobicContact CG2-CG1 3.76Å; I265-I306 HydrophobicContact CG2-CG2 3.49Å; I265-I306 VanDerWaalsContact CG2-CG2 3.49Å; W267-I306 HydrophobicContact CD2-CD1 4.34Å; W267-I306 HydrophobicContact CD2-CG2 4.48Å; W267-I306 HydrophobicContact CG-CD1 4.17Å; W267-I306 HydrophobicContact CZ2-CG2 4.14Å; A302-I306 PolarHBondContact O-N 3.35Å; L303-I306 VanDerWaalsContact CA-O 3.31Å; L303-I306 WeakPolarHBondContact CA-O 3.22Å; L303-I306 VanDerWaalsContact CD2-O 3.29Å; L303-I306 WeakPolarHBondContact CD2-O 3.4Å; I306-Y308 WeakPolarHBondContact CG2-O 3.48Å; I306-Y308 PolarHBondContact O-N 2.98Å
307	P	92	Very high	94.9	Very high	69 Å²	69	44.9 Å²	44.9	45%	0.448	22%	0.223	S	C	.	.			trans	-72.3	-24.1	-168.4	26.3	-34.4	0	0	0	114.8	P193 I265	P193-P307 WeakPolarHBondContact CB-O 3.25Å; I265-P307 HydrophobicContact CD1-CG 3.76Å
308	Y	93.4	Very high	94.9	Very high	90 Å²	90	39.2 Å²	39.2	35%	0.353	20%	0.198	S	C	.	.			trans	-159.4	161	-177.3	52.8	-98	0	0	0	111.9	P193 T195 W267 I306 M310	P193-Y308 CarbonylContact O-C 3.59Å; P193-Y308 VanDerWaalsContact O-CA 3.31Å; P193-Y308 WeakPolarHBondContact O-CA 3.31Å; P193-Y308 WeakPolarHBondContact O-CB 3.12Å; T195-Y308 HydrophobicContact CG2-CD1 4.44Å; T195-Y308 HydrophobicContact CG2-CD2 3.6Å; T195-Y308 HydrophobicContact CG2-CE2 3.83Å; T195-Y308 HydrophobicContact CG2-CG 3.94Å; W267-Y308 PolarHBondContact NE1-O 3.31Å; I306-Y308 WeakPolarHBondContact CG2-O 3.48Å; I306-Y308 PolarHBondContact O-N 2.98Å; Y308-M310 HydrophobicContact CD2-CG 4.02Å; Y308-M310 HydrophobicContact CE2-CG 3.68Å; Y308-M310 HydrophobicContact CE2-SD 4.34Å
309	S	92.8	Very high	94.9	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-88.4	137	168.6	175.8	0	0	0	0	111.2	P193 S194 T195 A312 D315	P193-S309 PolarHBondContact O-N 3.12Å; S194-S309 WeakPolarHBondContact CA-O 3.49Å; S194-S309 PolarHBondContact OG-O 3.35Å; T195-S309 PolarHBondContact N-O 2.89Å; T195-S309 PolarHBondContact OG1-O 2.89Å; S309-A312 WeakPolarHBondContact OG-CA 3.46Å; S309-A312 PolarHBondContact OG-N 2.67Å; S309-A312 PolarHBondContact OG-O 3.37Å; S309-D315 WeakPolarHBondContact OG-CB 3.42Å; S309-D315 PolarHBondContact OG-OD2 3.36Å
310	M	91.9	Very high	94.9	Very high	65 Å²	65	39 Å²	39	32%	0.32	20%	0.197	S	C	.	.	S	Bend	trans	-97.5	-33.7	176.1	-70.7	-170.5	74.4	0	0	111.6	H196 W257 Y308 D315	H196-M310 WeakPolarHBondContact CB-O 3.48Å; H196-M310 PolarHBondContact CD2-O 2.9Å; H196-M310 VanDerWaalsContact CD2-O 3.31Å; W257-M310 HydrophobicContact CH2-CE 3.85Å; W257-M310 HydrophobicContact CH2-SD 4.06Å; W257-M310 HydrophobicContact CZ2-CB 4.03Å; W257-M310 HydrophobicContact CZ2-CE 4.26Å; W257-M310 HydrophobicContact CZ2-SD 3.92Å; Y308-M310 HydrophobicContact CD2-CG 4.02Å; Y308-M310 HydrophobicContact CE2-CG 3.68Å; Y308-M310 HydrophobicContact CE2-SD 4.34Å; M310-D315 PolarHBondContact N-OD2 3.37Å
311	L	92.5	Very high	94.9	Very high	40 Å²	40	34.7 Å²	34.7	21%	0.209	18%	0.178	C	C	.	.	S	Bend	trans	-111.2	25.4	-179.2	-53.3	-176.6	0	0	0	112.5	W257 D313 Q314 D315	W257-L311 HydrophobicContact CD2-CD1 4.02Å; W257-L311 HydrophobicContact CG-CD1 3.96Å; W257-L311 HydrophobicContact CZ2-CD1 4.28Å; W257-L311 HydrophobicContact CZ2-CD2 4.38Å; W257-L311 HydrophobicContact CZ2-CG 4.16Å; W257-L311 VanDerWaalsContact NE1-CD1 3.27Å; L311-D313 PolarHBondContact O-N 3.4Å; L311-Q314 HydrophobicContact CB-CB 4.03Å; L311-Q314 VanDerWaalsContact CD1-NE2 3.27Å; L311-Q314 VanDerWaalsContact O-CB 3.27Å; L311-Q314 WeakPolarHBondContact O-CB 3.48Å; L311-Q314 PolarHBondContact O-N 3.22Å; L311-D315 PolarHBondContact N-OD2 2.84Å
312	A	94.6	Very high	94.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	-119	174.9	0	0	0	0	0	113.8	H196 L203 S309 Q314 D315	H196-A312 HydrophobicContact CB-CB 3.99Å; L203-A312 HydrophobicContact CD2-CB 4.07Å; L203-A312 HydrophobicContact CG-CB 4.2Å; S309-A312 WeakPolarHBondContact OG-CA 3.46Å; S309-A312 PolarHBondContact OG-N 2.67Å; S309-A312 PolarHBondContact OG-O 3.37Å; A312-Q314 VanDerWaalsContact C-N 3.27Å; A312-Q314 PolarHBondContact O-N 3.39Å; A312-D315 PolarHBondContact O-N 3.47Å
313	D	95.5	Very high	94.8	Very high	7 Å²	7	39.4 Å²	39.4	4%	0.037	20%	0.195	C	C	.	.	H	α-helix	trans	-59.4	-35.6	178.4	59.4	-59.6	0	0	0	112.4	G202 K205 L206 T276 L311 D315 I316 I317	G202-D313 WeakPolarHBondContact O-CB 3.14Å; G202-D313 VanDerWaalsContact O-CG 3.32Å; G202-D313 VanDerWaalsContact O-OD1 3.07Å; K205-D313 HydrophobicContact CB-CB 4Å; K205-D313 HydrophobicContact CD-CB 4.47Å; K205-D313 WeakPolarHBondContact CD-OD2 3.28Å; K205-D313 IonicContact NZ-OD2 3.89Å; L206-D313 HydrophobicContact CD2-CB 4.34Å; L206-D313 HydrophobicContact CG-CB 4.18Å; T276-D313 WeakPolarHBondContact CB-OD2 3.16Å; T276-D313 PolarHBondContact OG1-OD2 3.43Å; L311-D313 PolarHBondContact O-N 3.4Å; D313-D315 VanDerWaalsContact C-N 3.34Å; D313-D315 PolarHBondContact O-N 2.88Å; D313-I316 PolarHBondContact O-N 3.42Å; D313-I317 HydrophobicContact CB-CD1 4.29Å; D313-I317 WeakPolarHBondContact O-CB 3.25Å; D313-I317 VanDerWaalsContact O-CG1 3.26Å; D313-I317 WeakPolarHBondContact O-CG1 3.43Å; D313-I317 PolarHBondContact O-N 2.94Å
314	Q	96.1	Very high	94.8	Very high	13 Å²	13	40.1 Å²	40.1	6%	0.061	20%	0.198	C	C	.	.	H	α-helix	trans	-61.4	-44	-178.3	-164.9	-173.7	-83.3	0	0	111.4	Y258 F274 N275 T276 L311 A312 N318	Y258-Q314 PolarHBondContact OH-NE2 2.83Å; F274-Q314 WeakPolarHBondContact O-CG 3.42Å; N275-Q314 PolarHBondContact ND2-OE1 3.24Å; T276-Q314 HydrophobicContact CG2-CB 4.1Å; T276-Q314 HydrophobicContact CG2-CG 4.02Å; L311-Q314 HydrophobicContact CB-CB 4.03Å; L311-Q314 VanDerWaalsContact CD1-NE2 3.27Å; L311-Q314 VanDerWaalsContact O-CB 3.27Å; L311-Q314 WeakPolarHBondContact O-CB 3.48Å; L311-Q314 PolarHBondContact O-N 3.22Å; A312-Q314 VanDerWaalsContact C-N 3.27Å; A312-Q314 PolarHBondContact O-N 3.39Å; Q314-N318 VanDerWaalsContact O-CB 3.28Å; Q314-N318 WeakPolarHBondContact O-CB 3.15Å; Q314-N318 PolarHBondContact O-N 2.93Å; Q314-N318 PolarHBondContact O-ND2 2.93Å
315	D	96.1	Very high	94.8	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.011	18%	0.18	C	C	.	.	H	α-helix	trans	-64.3	-41.8	178.2	-80.1	-14.5	0	0	0	111.7	Y258 W267 S309 M310 L311 A312 D313 A319	Y258-D315 VanDerWaalsContact CE1-OD1 3.31Å; Y258-D315 WeakPolarHBondContact CE1-OD1 3.46Å; Y258-D315 PolarHBondContact OH-OD1 2.81Å; W267-D315 HydrophobicContact CB-CB 3.78Å; W267-D315 HydrophobicContact CD2-CB 3.85Å; W267-D315 HydrophobicContact CE3-CB 4.36Å; W267-D315 HydrophobicContact CG-CB 3.56Å; S309-D315 WeakPolarHBondContact OG-CB 3.42Å; S309-D315 PolarHBondContact OG-OD2 3.36Å; M310-D315 PolarHBondContact N-OD2 3.37Å; L311-D315 PolarHBondContact N-OD2 2.84Å; A312-D315 PolarHBondContact O-N 3.47Å; D313-D315 VanDerWaalsContact C-N 3.34Å; D313-D315 PolarHBondContact O-N 2.88Å; D315-A319 WeakPolarHBondContact O-CB 3.4Å; D315-A319 PolarHBondContact O-N 2.85Å
316	I	96.7	Very high	94.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-71.2	-45.2	-178.6	-70	165.5	0	0	0	111.4	I192 L203 L206 W267 W295 T299 D313 N318 A319 A320	I192-I316 HydrophobicContact CD1-CD1 3.94Å; I192-I316 HydrophobicContact CG2-CD1 4.04Å; L203-I316 HydrophobicContact CD2-CD1 3.69Å; L206-I316 HydrophobicContact CD1-CB 4.21Å; L206-I316 HydrophobicContact CD1-CD1 3.66Å; L206-I316 HydrophobicContact CD1-CG2 3.9Å; L206-I316 HydrophobicContact CD2-CB 4.18Å; L206-I316 HydrophobicContact CD2-CG2 3.72Å; L206-I316 HydrophobicContact CG-CG2 4.49Å; W267-I316 HydrophobicContact CE3-CG1 4.44Å; W267-I316 HydrophobicContact CH2-CG1 4.1Å; W267-I316 HydrophobicContact CZ3-CG1 3.86Å; W295-I316 HydrophobicContact CB-CG2 4.05Å; W295-I316 HydrophobicContact CE3-CG2 4.14Å; T299-I316 HydrophobicContact CG2-CD1 4.1Å; T299-I316 HydrophobicContact CG2-CG1 4.33Å; T299-I316 WeakPolarHBondContact OG1-CG2 3.37Å; D313-I316 PolarHBondContact O-N 3.42Å; I316-N318 VanDerWaalsContact C-N 3.34Å; I316-N318 PolarHBondContact O-N 3.02Å; I316-A319 PolarHBondContact O-N 3.47Å; I316-A320 WeakPolarHBondContact O-CB 3.38Å; I316-A320 PolarHBondContact O-N 3.43Å
317	I	97.2	Very high	95.1	Very high	7 Å²	7	31.2 Å²	31.2	4%	0.036	17%	0.169	C	C	.	.	H	α-helix	trans	-61.9	-45	177	-69.9	168.7	0	0	0	109.7	L206 L250 T276 M279 W291 D313 A319 A320 L321	L206-I317 HydrophobicContact CD2-CD1 4.14Å; L206-I317 HydrophobicContact CD2-CG1 3.7Å; L250-I317 HydrophobicContact CD1-CG2 4.15Å; T276-I317 HydrophobicContact CG2-CB 4.36Å; T276-I317 HydrophobicContact CG2-CD1 3.72Å; T276-I317 HydrophobicContact CG2-CG2 4.45Å; M279-I317 HydrophobicContact SD-CD1 4.04Å; W291-I317 HydrophobicContact CZ2-CG1 4.24Å; D313-I317 HydrophobicContact CB-CD1 4.29Å; D313-I317 WeakPolarHBondContact O-CB 3.25Å; D313-I317 VanDerWaalsContact O-CG1 3.26Å; D313-I317 WeakPolarHBondContact O-CG1 3.43Å; D313-I317 PolarHBondContact O-N 2.94Å; I317-A319 PolarHBondContact O-N 2.97Å; I317-A320 PolarHBondContact O-N 3.31Å; I317-L321 HydrophobicContact CG2-CD1 3.89Å; I317-L321 HydrophobicContact CG2-CG 4.33Å; I317-L321 WeakPolarHBondContact O-CB 3.44Å; I317-L321 WeakPolarHBondContact O-CG 3.25Å; I317-L321 PolarHBondContact O-N 3.13Å
318	N	97.5	Very high	95.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-61.8	-41.9	177.3	-85	-68.8	0	0	0	112.6	Y258 P268 A269 G273 F274 Q314 I316 L321 V322	Y258-N318 HydrophobicContact CE1-CB 4.47Å; Y258-N318 PolarHBondContact OH-ND2 3.06Å; P268-N318 CarbonylContact O-C 3.57Å; P268-N318 VanDerWaalsContact O-C 3.3Å; A269-N318 HydrophobicContact CB-CB 3.8Å; G273-N318 WeakPolarHBondContact CA-OD1 3.49Å; F274-N318 PolarHBondContact N-OD1 3.25Å; F274-N318 PolarHBondContact O-ND2 3.47Å; Q314-N318 VanDerWaalsContact O-CB 3.28Å; Q314-N318 WeakPolarHBondContact O-CB 3.15Å; Q314-N318 PolarHBondContact O-N 2.93Å; Q314-N318 PolarHBondContact O-ND2 2.93Å; I316-N318 VanDerWaalsContact C-N 3.34Å; I316-N318 PolarHBondContact O-N 3.02Å; N318-L321 PolarHBondContact O-N 3.38Å; N318-V322 PolarHBondContact O-N 2.95Å
319	A	96.6	Very high	95.5	Very high	3 Å²	3	25.8 Å²	25.8	3%	0.025	14%	0.14	C	C	.	.	H	α-helix	trans	-64.6	-44.1	176.9	0	0	0	0	0	111.6	W267 P268 T298 D315 I316 I317 L321 V322	W267-A319 HydrophobicContact CE3-CB 3.93Å; P268-A319 HydrophobicContact CB-CB 4.35Å; P268-A319 HydrophobicContact CG-CB 4.48Å; P268-A319 WeakPolarHBondContact O-CA 3.1Å; P268-A319 PolarHBondContact O-N 2.69Å; P268-A319 VanDerWaalsContact O-N 3.08Å; T298-A319 HydrophobicContact CG2-CB 3.83Å; D315-A319 WeakPolarHBondContact O-CB 3.4Å; D315-A319 PolarHBondContact O-N 2.85Å; I316-A319 PolarHBondContact O-N 3.47Å; I317-A319 PolarHBondContact O-N 2.97Å; A319-L321 VanDerWaalsContact C-N 3.27Å; A319-L321 PolarHBondContact O-N 3.34Å; A319-V322 WeakPolarHBondContact O-CB 3.5Å; A319-V322 PolarHBondContact O-N 2.92Å; A319-V322 VanDerWaalsContact O-N 3.12Å
320	A	96.8	Very high	95.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-62.6	-34.2	177.3	0	0	0	0	0	112.5	W291 H294 W295 T298 I316 I317 V322 E323	W291-A320 HydrophobicContact CH2-CB 3.66Å; W291-A320 HydrophobicContact CZ2-CB 4.44Å; W291-A320 HydrophobicContact CZ3-CB 4.09Å; H294-A320 PolarHBondContact NE2-O 3.45Å; W295-A320 HydrophobicContact CB-CB 4.33Å; T298-A320 HydrophobicContact CG2-CB 4.48Å; I316-A320 WeakPolarHBondContact O-CB 3.38Å; I316-A320 PolarHBondContact O-N 3.43Å; I317-A320 PolarHBondContact O-N 3.31Å; A320-V322 VanDerWaalsContact C-N 3.29Å; A320-V322 PolarHBondContact O-N 3.17Å; A320-E323 PolarHBondContact O-N 2.69Å
321	L	96.6	Very high	96	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-71.1	-19.1	176.3	-73.1	172.9	0	0	0	113.8	L250 F274 I317 N318 A319 E323 I324 P325 I327 I328	L250-L321 HydrophobicContact CD1-CD1 4.18Å; F274-L321 HydrophobicContact CD2-CD1 3.92Å; F274-L321 HydrophobicContact CE2-CD1 4.34Å; I317-L321 HydrophobicContact CG2-CD1 3.89Å; I317-L321 HydrophobicContact CG2-CG 4.33Å; I317-L321 WeakPolarHBondContact O-CB 3.44Å; I317-L321 WeakPolarHBondContact O-CG 3.25Å; I317-L321 PolarHBondContact O-N 3.13Å; N318-L321 PolarHBondContact O-N 3.38Å; A319-L321 VanDerWaalsContact C-N 3.27Å; A319-L321 PolarHBondContact O-N 3.34Å; L321-E323 VanDerWaalsContact C-N 3.26Å; L321-E323 PolarHBondContact O-N 2.83Å; L321-I324 CarbonylContact O-C 3.53Å; L321-I324 PolarHBondContact O-N 2.99Å; L321-P325 WeakPolarHBondContact O-CA 3.49Å; L321-P325 WeakPolarHBondContact O-CD 3.38Å; L321-P325 VanDerWaalsContact O-N 3.13Å; L321-I327 HydrophobicContact CD2-CD1 3.73Å; L321-I327 HydrophobicContact CD2-CG1 3.52Å; L321-I328 HydrophobicContact CD2-CB 4.26Å
322	V	95.7	Very high	96.2	Very high	64 Å²	64	28.5 Å²	28.5	39%	0.388	16%	0.155	S	C	.	.	H	α-helix	trans	-63.1	-37.7	173.7	175.4	0	0	0	0	110.8	P268 A269 N318 A319 A320	P268-V322 HydrophobicContact CB-CG2 3.97Å; A269-V322 VanDerWaalsContact C-CG2 3.49Å; N318-V322 PolarHBondContact O-N 2.95Å; A319-V322 WeakPolarHBondContact O-CB 3.5Å; A319-V322 PolarHBondContact O-N 2.92Å; A319-V322 VanDerWaalsContact O-N 3.12Å; A320-V322 VanDerWaalsContact C-N 3.29Å; A320-V322 PolarHBondContact O-N 3.17Å
323	E	93.8	Very high	96.2	Very high	111 Å²	111	29.5 Å²	29.5	52%	0.519	16%	0.161	S	C	.	.	H	α-helix	trans	-76.8	-31.2	-177.4	-62	178.5	-146.1	0	0	112.4	H294 T298 A320 L321	H294-E323 IonicContact CE1-OE2 3.22Å; H294-E323 PolarHBondContact CE1-OE2 3.29Å; T298-E323 WeakPolarHBondContact CG2-OE1 3.29Å; T298-E323 PolarHBondContact OG1-OE1 3.18Å; A320-E323 PolarHBondContact O-N 2.69Å; L321-E323 VanDerWaalsContact C-N 3.26Å; L321-E323 PolarHBondContact O-N 2.83Å
324	I	94.5	Very high	96.2	Very high	56 Å²	56	30.1 Å²	30.1	29%	0.287	16%	0.164	S	C	.	.			trans	-137.9	60.1	-175.1	54.3	175.5	0	0	0	113.3	W291 H294 L321 S326 I327	W291-I324 HydrophobicContact CE3-CD1 4.47Å; W291-I324 HydrophobicContact CZ3-CD1 4.22Å; H294-I324 WeakPolarHBondContact NE2-CD1 3.44Å; L321-I324 CarbonylContact O-C 3.53Å; L321-I324 PolarHBondContact O-N 2.99Å; I324-S326 PolarHBondContact O-N 2.9Å; I324-I327 HydrophobicContact CB-CG2 4.27Å; I324-I327 HydrophobicContact CD1-CD1 3.81Å; I324-I327 HydrophobicContact CD1-CG2 4.09Å; I324-I327 HydrophobicContact CG1-CD1 4.11Å; I324-I327 HydrophobicContact CG1-CG1 4.43Å; I324-I327 HydrophobicContact CG1-CG2 4.32Å; I324-I327 WeakPolarHBondContact O-CG1 3.33Å; I324-I327 PolarHBondContact O-N 3.23Å
325	P	95	Very high	96.3	Very high	47 Å²	47	29.5 Å²	29.5	31%	0.305	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-64.5	-12.6	-175.6	27	-36	0	0	0	113.9	W270 L321 I327 I328	W270-P325 HydrophobicContact CD2-CB 4.15Å; W270-P325 HydrophobicContact CG-CB 4.06Å; W270-P325 HydrophobicContact CZ2-CB 4.47Å; L321-P325 WeakPolarHBondContact O-CA 3.49Å; L321-P325 WeakPolarHBondContact O-CD 3.38Å; L321-P325 VanDerWaalsContact O-N 3.13Å; P325-I327 PolarHBondContact O-N 3.49Å; P325-I328 WeakPolarHBondContact O-CG2 3.4Å; P325-I328 PolarHBondContact O-N 3.2Å
326	S	95.4	Very high	96.3	Very high	72 Å²	72	29.4 Å²	29.4	50%	0.503	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-68.4	-14	177.4	56.2	0	0	0	0	114.3	S245 I324	S245-S326 PolarHBondContact OG-O 3.01Å; I324-S326 PolarHBondContact O-N 2.9Å
327	I	96.3	Very high	96.3	Very high	10 Å²	10	29.4 Å²	29.4	5%	0.051	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-83.8	-12.8	-178.6	78.5	168.4	0	0	0	113.5	Q246 M247 I248 W291 L321 I324 P325	Q246-I327 CarbonylContact C-O 3.56Å; Q246-I327 VanDerWaalsContact CA-O 3.28Å; Q246-I327 WeakPolarHBondContact CA-O 3.42Å; M247-I327 HydrophobicContact CE-CB 4.21Å; M247-I327 HydrophobicContact CE-CG2 3.89Å; M247-I327 HydrophobicContact CG-CB 4.06Å; M247-I327 HydrophobicContact CG-CD1 4.37Å; M247-I327 PolarHBondContact N-O 2.91Å; M247-I327 HydrophobicContact SD-CB 4.43Å; M247-I327 HydrophobicContact SD-CD1 4.48Å; M247-I327 HydrophobicContact SD-CG2 4.49Å; I248-I327 HydrophobicContact CD1-CD1 3.96Å; I248-I327 HydrophobicContact CG1-CD1 4.4Å; I248-I327 PolarHBondContact N-O 2.94Å; W291-I327 HydrophobicContact CE3-CD1 3.91Å; W291-I327 HydrophobicContact CH2-CD1 4.33Å; W291-I327 HydrophobicContact CZ3-CD1 3.5Å; L321-I327 HydrophobicContact CD2-CD1 3.73Å; L321-I327 HydrophobicContact CD2-CG1 3.52Å; I324-I327 HydrophobicContact CB-CG2 4.27Å; I324-I327 HydrophobicContact CD1-CD1 3.81Å; I324-I327 HydrophobicContact CD1-CG2 4.09Å; I324-I327 HydrophobicContact CG1-CD1 4.11Å; I324-I327 HydrophobicContact CG1-CG1 4.43Å; I324-I327 HydrophobicContact CG1-CG2 4.32Å; I324-I327 WeakPolarHBondContact O-CG1 3.33Å; I324-I327 PolarHBondContact O-N 3.23Å; P325-I327 PolarHBondContact O-N 3.49Å
328	I	97	Very high	96.1	Very high	12 Å²	12	29.1 Å²	29.1	6%	0.062	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	131.4	-175.2	-175.1	72.6	0	0	0	112.1	Q246 I248 L250 F274 L321 P325	Q246-I328 WeakPolarHBondContact CG-O 3.33Å; Q246-I328 PolarHBondContact NE2-O 2.86Å; I248-I328 HydrophobicContact CB-CD1 4.35Å; I248-I328 HydrophobicContact CG2-CD1 4.07Å; I248-I328 CarbonylContact O-C 3.4Å; I248-I328 WeakPolarHBondContact O-CA 3.1Å; I248-I328 VanDerWaalsContact O-CD1 3.29Å; I248-I328 WeakPolarHBondContact O-CD1 3.36Å; L250-I328 HydrophobicContact CB-CD1 3.71Å; L250-I328 HydrophobicContact CD1-CD1 3.88Å; L250-I328 HydrophobicContact CG-CD1 3.83Å; F274-I328 HydrophobicContact CE1-CD1 4.42Å; F274-I328 HydrophobicContact CE1-CG1 3.95Å; F274-I328 HydrophobicContact CE2-CG1 4.11Å; F274-I328 HydrophobicContact CE2-CG2 4.47Å; F274-I328 HydrophobicContact CZ-CG1 3.73Å; F274-I328 HydrophobicContact CZ-CG2 4.27Å; L321-I328 HydrophobicContact CD2-CB 4.26Å; P325-I328 WeakPolarHBondContact O-CG2 3.4Å; P325-I328 PolarHBondContact O-N 3.2Å
329	Y	98	Very high	95.9	Very high	33 Å²	33	29.2 Å²	29.2	13%	0.129	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	112	162.6	175.8	-96.4	0	0	0	109.2	H238 K241 F242 I248 G249 L250 L331	H238-Y329 HydrophobicContact CB-CE1 3.97Å; H238-Y329 AromaticContact ND1-CE1 3.42Å; H238-Y329 WeakPolarHBondContact ND1-CE1 3.41Å; H238-Y329 AromaticContact ND1-CZ 3.68Å; H238-Y329 PolarHBondContact ND1-OH 3.12Å; K241-Y329 HydrophobicContact CB-CE2 3.82Å; K241-Y329 VanDerWaalsContact CD-OH 3.22Å; K241-Y329 WeakPolarHBondContact CD-OH 3.36Å; F242-Y329 AromaticContact CD1-CD1 3.87Å; F242-Y329 HydrophobicContact CD1-CD1 3.87Å; F242-Y329 AromaticContact CD1-CD2 3.95Å; F242-Y329 HydrophobicContact CD1-CD2 3.95Å; F242-Y329 AromaticContact CD1-CG 3.54Å; F242-Y329 HydrophobicContact CD1-CG 3.54Å; F242-Y329 VanDerWaalsContact CE1-CB 3.43Å; F242-Y329 AromaticContact CE1-CD1 3.39Å; F242-Y329 HydrophobicContact CE1-CD1 3.39Å; F242-Y329 HydrophobicContact CE1-CD2 4.3Å; F242-Y329 HydrophobicContact CE1-CE1 4.19Å; F242-Y329 AromaticContact CE1-CG 3.44Å; F242-Y329 HydrophobicContact CE1-CG 3.44Å; F242-Y329 VanDerWaalsContact CE1-CG 3.44Å; F242-Y329 HydrophobicContact CZ-CD1 4.39Å; F242-Y329 HydrophobicContact CZ-CG 4.42Å; I248-Y329 PolarHBondContact O-N 2.72Å; G249-Y329 VanDerWaalsContact CA-O 3.22Å; G249-Y329 WeakPolarHBondContact CA-O 3.4Å; L250-Y329 PolarHBondContact N-O 3.41Å; L250-Y329 VanDerWaalsContact N-O 3.12Å; Y329-L331 HydrophobicContact CD1-CD2 4.33Å; Y329-L331 HydrophobicContact CD1-CG 4.46Å; Y329-L331 HydrophobicContact CE1-CD2 3.94Å; Y329-L331 HydrophobicContact CE1-CG 4.47Å; Y329-L331 PolarHBondContact O-N 3.14Å
330	Q	97.2	Very high	95.5	Very high	114 Å²	114	30.3 Å²	30.3	53%	0.533	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	113.5	179.6	-174.6	172	-16.6	0	0	110.5	F274	F274-Q330 HydrophobicContact CE1-CG 4.27Å
331	L	97.4	Very high	94.8	Very high	4 Å²	4	32.6 Å²	32.6	2%	0.021	18%	0.182	C	C	.	.			trans	-71.8	147.2	173.7	-78.9	169.7	0	0	0	111.5	L235 H238 L250 V251 L280 Y329	L235-L331 HydrophobicContact CD1-CD1 4.29Å; L235-L331 HydrophobicContact CD1-CD2 3.95Å; H238-L331 HydrophobicContact CB-CD2 4.03Å; L250-L331 PolarHBondContact O-N 3.39Å; V251-L331 HydrophobicContact CG2-CB 3.51Å; V251-L331 HydrophobicContact CG2-CD1 4.13Å; L280-L331 HydrophobicContact CD1-CD1 3.27Å; L280-L331 HydrophobicContact CD1-CD2 3.75Å; L280-L331 HydrophobicContact CD1-CG 3.88Å; Y329-L331 HydrophobicContact CD1-CD2 4.33Å; Y329-L331 HydrophobicContact CD1-CG 4.46Å; Y329-L331 HydrophobicContact CE1-CD2 3.94Å; Y329-L331 HydrophobicContact CE1-CG 4.47Å; Y329-L331 PolarHBondContact O-N 3.14Å
332	P	96.5	Very high	94.2	Very high	43 Å²	43	36.1 Å²	36.1	28%	0.279	20%	0.201	S	C	.	.			trans	-55.3	145	166.6	-25.1	34.5	0	0	0	112.4	V251 E334 W335	V251-P332 WeakPolarHBondContact CG2-O 3.31Å; P332-E334 VanDerWaalsContact C-N 3.25Å; P332-E334 VanDerWaalsContact CB-OE1 3.31Å; P332-E334 WeakPolarHBondContact CB-OE1 3.43Å; P332-E334 WeakPolarHBondContact CB-OE2 3.49Å; P332-E334 PolarHBondContact O-N 3.42Å; P332-W335 PolarHBondContact O-N 3.07Å
333	C	95.4	Very high	93.7	Very high	21 Å²	21	33.3 Å²	33.3	14%	0.142	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-65.9	-26.3	-168.3	74.3	0	0	0	0	113.7	V251 W335 N336 C348	V251-C333 HydrophobicContact CG1-CB 4.44Å; C333-W335 PolarHBondContact O-N 3.39Å; C333-N336 CarbonylContact O-C 3.44Å; C333-N336 PolarHBondContact O-N 2.85Å; C333-N336 VanDerWaalsContact O-N 3.16Å; C333-C348 HydrophobicContact CB-CB 3.63Å; C333-C348 WeakPolarHBondContact CB-SG 3.27Å; C333-C348 WeakPolarHBondContact SG-CA 3.34Å; C333-C348 WeakPolarHBondContact SG-CB 3.39Å; C333-C348 CovalentContact SG-SG 2.04Å; C333-C348 PolarHBondContact SG-SG 2.95Å
334	E	95	Very high	93.4	Very high	20 Å²	20	31.6 Å²	31.6	9%	0.093	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-66.7	-15.6	-179.1	67.8	-87.1	-162.3	0	0	114.1	P332 N336 Y374 H375 K377 I378	P332-E334 VanDerWaalsContact C-N 3.25Å; P332-E334 VanDerWaalsContact CB-OE1 3.31Å; P332-E334 WeakPolarHBondContact CB-OE1 3.43Å; P332-E334 WeakPolarHBondContact CB-OE2 3.49Å; P332-E334 PolarHBondContact O-N 3.42Å; E334-N336 VanDerWaalsContact C-N 3.32Å; E334-Y374 WeakPolarHBondContact OE2-CD1 3.35Å; E334-H375 WeakPolarHBondContact CB-O 3.32Å; E334-K377 HydrophobicContact CB-CG 4.38Å; E334-K377 HydrophobicContact CG-CB 4.49Å; E334-K377 HydrophobicContact CG-CD 3.91Å; E334-K377 HydrophobicContact CG-CG 3.86Å; E334-K377 WeakPolarHBondContact O-CB 3.3Å; E334-K377 PolarHBondContact O-N 3.44Å; E334-I378 PolarHBondContact O-N 3.18Å
335	W	97	Very high	92.8	Very high	1 Å²	1	30.1 Å²	30.1	0%	0.004	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-82.3	-5	176.2	-74.1	117	0	0	0	114.1	E234 L235 H238 V251 P332 C333 K377 I378	E234-W335 HydrophobicContact CB-CH2 3.71Å; E234-W335 HydrophobicContact CB-CZ2 3.66Å; L235-W335 HydrophobicContact CB-CD2 4.32Å; L235-W335 HydrophobicContact CB-CE3 3.93Å; L235-W335 HydrophobicContact CB-CH2 3.65Å; L235-W335 HydrophobicContact CB-CZ2 4.01Å; L235-W335 HydrophobicContact CB-CZ3 3.61Å; L235-W335 HydrophobicContact CD1-CB 4.32Å; L235-W335 HydrophobicContact CD1-CD2 3.68Å; L235-W335 HydrophobicContact CD1-CE3 3.87Å; L235-W335 HydrophobicContact CD1-CG 3.91Å; L235-W335 HydrophobicContact CD1-CZ3 4.43Å; L235-W335 HydrophobicContact CD2-CE3 4.07Å; L235-W335 HydrophobicContact CD2-CZ3 4.33Å; L235-W335 HydrophobicContact CG-CD2 4.44Å; L235-W335 HydrophobicContact CG-CE3 4.18Å; L235-W335 HydrophobicContact CG-CZ3 4.34Å; L235-W335 VanDerWaalsContact N-CH2 3.34Å; H238-W335 AromaticContact CE1-NE1 3.91Å; H238-W335 AromaticContact NE2-NE1 3.32Å; H238-W335 PolarHBondContact NE2-NE1 3.19Å; V251-W335 HydrophobicContact CG2-CB 4.29Å; P332-W335 PolarHBondContact O-N 3.07Å; C333-W335 PolarHBondContact O-N 3.39Å; W335-K377 HydrophobicContact CD2-CB 4.14Å; W335-K377 HydrophobicContact CD2-CD 3.76Å; W335-K377 VanDerWaalsContact CE2-CD 3.44Å; W335-K377 HydrophobicContact CE3-CB 3.72Å; W335-K377 HydrophobicContact CE3-CD 3.95Å; W335-K377 HydrophobicContact CH2-CB 4.36Å; W335-K377 HydrophobicContact CH2-CD 3.53Å; W335-K377 HydrophobicContact CZ2-CD 3.35Å; W335-K377 HydrophobicContact CZ3-CB 3.81Å; W335-K377 HydrophobicContact CZ3-CD 3.82Å; W335-K377 HydrophobicContact CZ3-CG 4.47Å; W335-I378 HydrophobicContact CE3-CD1 3.9Å; W335-I378 HydrophobicContact CE3-CG1 4.01Å; W335-I378 HydrophobicContact CZ3-CD1 4.35Å; W335-I378 HydrophobicContact CZ3-CG1 4.4Å; W335-I378 WeakPolarHBondContact O-CB 3.37Å
336	N	97.2	Very high	92.3	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.196	C	C	.	.	S	Bend	trans	-163	77.4	172.5	-175.8	3.9	0	0	0	109.6	V251 N275 V278 C333 E334 Q338 H380	V251-N336 HydrophobicContact CB-CB 3.73Å; V251-N336 HydrophobicContact CG1-CB 4.15Å; V251-N336 HydrophobicContact CG2-CB 3.59Å; N275-N336 PolarHBondContact OD1-ND2 3.44Å; V278-N336 HydrophobicContact CB-CB 4.15Å; V278-N336 HydrophobicContact CG2-CB 4.02Å; C333-N336 CarbonylContact O-C 3.44Å; C333-N336 PolarHBondContact O-N 2.85Å; C333-N336 VanDerWaalsContact O-N 3.16Å; E334-N336 VanDerWaalsContact C-N 3.32Å; N336-Q338 PolarHBondContact O-N 3.2Å; N336-H380 VanDerWaalsContact OD1-CB 3.27Å; N336-H380 WeakPolarHBondContact OD1-CB 3.47Å; N336-H380 PolarHBondContact OD1-ND1 2.89Å
337	V	95.5	Very high	91.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	110.2	176.7	-176.7	0	0	0	0	109	L339 M343 I350 L376 I378 H380	V337-L339 HydrophobicContact CG1-CD2 4.05Å; V337-L339 PolarHBondContact O-N 3.13Å; V337-M343 HydrophobicContact CG1-SD 4.24Å; V337-I350 HydrophobicContact CG1-CG1 4.25Å; V337-I350 HydrophobicContact CG2-CG1 4.42Å; V337-I350 HydrophobicContact CG2-CG2 3.96Å; V337-L376 HydrophobicContact CB-CD1 4.07Å; V337-L376 HydrophobicContact CG1-CD1 4.22Å; V337-L376 HydrophobicContact CG2-CD1 4.02Å; V337-L376 HydrophobicContact CG2-CG 4.19Å; V337-I378 PolarHBondContact N-O 3.03Å; V337-H380 PolarHBondContact O-N 3.01Å
338	Q	94.6	Very high	91.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	94	-166.1	-63	152	36.5	0	0	110.7	A252 N253 Q254 N275 N336 T340 M343	A252-Q338 PolarHBondContact O-NE2 3.19Å; N253-Q338 PolarHBondContact OD1-OE1 3.1Å; N253-Q338 VanDerWaalsContact OD1-OE1 3.12Å; Q254-Q338 HydrophobicContact CB-CB 4.39Å; N275-Q338 HydrophobicContact CB-CG 4.18Å; N336-Q338 PolarHBondContact O-N 3.2Å; Q338-T340 PolarHBondContact O-N 3.37Å; Q338-M343 WeakPolarHBondContact O-CB 3.4Å; Q338-M343 WeakPolarHBondContact O-CG 3.31Å
339	L	92.1	Very high	90.9	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.016	20%	0.198	C	C	.	.			trans	-75.5	50.6	-174.3	-55.9	-178.7	0	0	0	113.8	V337 M343 W352 A379 H380 L405 K406 F409	V337-L339 HydrophobicContact CG1-CD2 4.05Å; V337-L339 PolarHBondContact O-N 3.13Å; L339-M343 HydrophobicContact CD2-SD 4.39Å; L339-W352 HydrophobicContact CD1-CZ3 4.48Å; L339-A379 HydrophobicContact CD1-CB 4.31Å; L339-H380 WeakPolarHBondContact CB-O 3.33Å; L339-H380 PolarHBondContact N-O 3.27Å; L339-L405 HydrophobicContact CD2-CB 3.8Å; L339-L405 HydrophobicContact CD2-CD1 4.23Å; L339-K406 HydrophobicContact CB-CG 4.19Å; L339-K406 WeakPolarHBondContact O-CE 3.45Å; L339-F409 HydrophobicContact CD1-CB 3.66Å; L339-F409 HydrophobicContact CD1-CD2 3.87Å; L339-F409 HydrophobicContact CD1-CG 4.02Å
340	T	87.8	Confident	90.3	Very high	26 Å²	26	37 Å²	37	16%	0.16	19%	0.194	C	C	.	.			trans	-86.7	155.4	173.3	-178.6	0	0	0	0	111.6	Q338 N342 M343	Q338-T340 PolarHBondContact O-N 3.37Å; T340-N342 PolarHBondContact O-N 3.23Å; T340-N342 VanDerWaalsContact O-N 3.09Å; T340-M343 HydrophobicContact CG2-CB 4.05Å; T340-M343 WeakPolarHBondContact O-CB 3.4Å; T340-M343 PolarHBondContact O-N 3Å; T340-M343 VanDerWaalsContact O-N 3.09Å
341	S	82.8	Confident	89.7	Confident	47 Å²	47	34.4 Å²	34.4	33%	0.329	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-6.4	176.7	-46.2	0	0	0	0	114.2	R402 K406	S341-R402 PolarHBondContact O-NH1 2.94Å; S341-R402 PolarHBondContact O-NH2 2.92Å; S341-R402 VanDerWaalsContact O-NH2 3.08Å; S341-K406 PolarHBondContact OG-NZ 2.85Å
342	N	83.8	Confident	89	Confident	74 Å²	74	34.7 Å²	34.7	40%	0.396	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.6	13.7	174.4	-67.5	-70.8	0	0	0	112.7	P256 R260 T340 N344	P256-N342 WeakPolarHBondContact CD-O 3.38Å; R260-N342 PolarHBondContact NH2-OD1 3.44Å; R260-N342 VanDerWaalsContact NH2-OD1 3.16Å; T340-N342 PolarHBondContact O-N 3.23Å; T340-N342 VanDerWaalsContact O-N 3.09Å; N342-N344 PolarHBondContact O-N 3.45Å
343	M	86.5	Confident	87.7	Confident	6 Å²	6	37.1 Å²	37.1	3%	0.03	20%	0.203	C	C	.	.			trans	-64	131	179.9	-172.5	-175	89	0	0	109.6	Q254 V337 Q338 L339 T340 I345 R402 L405	Q254-M343 HydrophobicContact CB-CG 3.86Å; V337-M343 HydrophobicContact CG1-SD 4.24Å; Q338-M343 WeakPolarHBondContact O-CB 3.4Å; Q338-M343 WeakPolarHBondContact O-CG 3.31Å; L339-M343 HydrophobicContact CD2-SD 4.39Å; T340-M343 HydrophobicContact CG2-CB 4.05Å; T340-M343 WeakPolarHBondContact O-CB 3.4Å; T340-M343 PolarHBondContact O-N 3Å; T340-M343 VanDerWaalsContact O-N 3.09Å; M343-I345 HydrophobicContact CE-CB 4.15Å; M343-I345 HydrophobicContact CE-CG1 3.4Å; M343-R402 HydrophobicContact CE-CG 4.36Å; M343-R402 WeakPolarHBondContact O-CD 3.18Å; M343-R402 PolarHBondContact O-NH1 3.44Å; M343-R402 VanDerWaalsContact O-NH1 3.13Å; M343-L405 HydrophobicContact CE-CD1 4.19Å
344	N	86	Confident	86.2	Confident	75 Å²	75	39.5 Å²	39.5	40%	0.401	21%	0.214	S	C	.	.			trans	-88.8	101.1	167.8	-179.3	-5.5	0	0	0	108.8	Q254 N342 K346 L347	Q254-N344 PolarHBondContact O-N 3.21Å; N342-N344 PolarHBondContact O-N 3.45Å; N344-K346 PolarHBondContact O-N 2.88Å; N344-K346 VanDerWaalsContact O-N 3.12Å; N344-K346 WeakPolarHBondContact OD1-CB 3.37Å; N344-K346 PolarHBondContact OD1-N 3.36Å; N344-K346 VanDerWaalsContact OD1-N 3.13Å; N344-L347 HydrophobicContact CB-CD1 3.85Å; N344-L347 HydrophobicContact CB-CG 3.96Å; N344-L347 WeakPolarHBondContact O-CB 3.24Å; N344-L347 PolarHBondContact O-N 2.66Å
345	I	82.7	Confident	84.3	Confident	24 Å²	24	39.3 Å²	39.3	12%	0.123	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-58	-28.6	-177.1	-62.5	156.7	0	0	0	112.7	M343 L347 C348 D399 L401 R402	M343-I345 HydrophobicContact CE-CB 4.15Å; M343-I345 HydrophobicContact CE-CG1 3.4Å; I345-L347 PolarHBondContact O-N 3.35Å; I345-C348 CarbonylContact O-C 3.54Å; I345-C348 PolarHBondContact O-N 3.35Å; I345-D399 WeakPolarHBondContact CD1-OD1 3.34Å; I345-L401 HydrophobicContact CD1-CB 3.76Å; I345-L401 HydrophobicContact CD1-CD2 4.01Å; I345-L401 HydrophobicContact CD1-CG 3.93Å; I345-L401 HydrophobicContact CG2-CD2 3.63Å; I345-L401 HydrophobicContact CG2-CG 4.34Å; I345-R402 HydrophobicContact CD1-CG 3.46Å; I345-R402 VanDerWaalsContact CD1-CG 3.46Å; I345-R402 HydrophobicContact CG1-CG 3.71Å
346	K	83.7	Confident	81.8	Confident	193 Å²	193	49.4 Å²	49.4	84%	0.839	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-64.4	-21.6	178.7	-59.4	-175.3	179.2	-177.7	0	112.8	N344 C348	N344-K346 PolarHBondContact O-N 2.88Å; N344-K346 VanDerWaalsContact O-N 3.12Å; N344-K346 WeakPolarHBondContact OD1-CB 3.37Å; N344-K346 PolarHBondContact OD1-N 3.36Å; N344-K346 VanDerWaalsContact OD1-N 3.13Å; K346-C348 VanDerWaalsContact C-N 3.26Å; K346-C348 PolarHBondContact O-N 2.98Å
347	L	86	Confident	79.4	Confident	96 Å²	96	51.9 Å²	51.9	50%	0.503	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-73.8	-18.4	176.1	-61.7	177.4	0	0	0	112.7	Q254 N344 I345	Q254-L347 HydrophobicContact CB-CD1 4.47Å; Q254-L347 HydrophobicContact CG-CB 4.47Å; N344-L347 HydrophobicContact CB-CD1 3.85Å; N344-L347 HydrophobicContact CB-CG 3.96Å; N344-L347 WeakPolarHBondContact O-CB 3.24Å; N344-L347 PolarHBondContact O-N 2.66Å; I345-L347 PolarHBondContact O-N 3.35Å
348	C	88	Confident	77	Confident	3 Å²	3	55.7 Å²	55.7	2%	0.02	29%	0.29	C	S	.	.			trans	-154.1	87.6	176.6	-158.1	0	0	0	0	111.4	Q254 C333 I345 K346 I350	Q254-C348 VanDerWaalsContact NE2-CB 3.26Å; C333-C348 HydrophobicContact CB-CB 3.63Å; C333-C348 WeakPolarHBondContact CB-SG 3.27Å; C333-C348 WeakPolarHBondContact SG-CA 3.34Å; C333-C348 WeakPolarHBondContact SG-CB 3.39Å; C333-C348 CovalentContact SG-SG 2.04Å; C333-C348 PolarHBondContact SG-SG 2.95Å; I345-C348 CarbonylContact O-C 3.54Å; I345-C348 PolarHBondContact O-N 3.35Å; K346-C348 VanDerWaalsContact C-N 3.26Å; K346-C348 PolarHBondContact O-N 2.98Å; C348-I350 HydrophobicContact CB-CG2 4.39Å; C348-I350 PolarHBondContact O-N 3.23Å; C348-I350 VanDerWaalsContact O-N 3.1Å; C348-I350 WeakPolarHBondContact SG-CG2 3.47Å
349	A	85.7	Confident	74.6	Confident	18 Å²	18	63 Å²	63	15%	0.149	32%	0.324	C	S	.	.			trans	-77.7	94.5	177.2	0	0	0	0	0	110.4	S371 F372 N373 Y374	A349-S371 VanDerWaalsContact CB-O 3.25Å; A349-S371 WeakPolarHBondContact CB-O 3.44Å; A349-F372 HydrophobicContact CB-CD1 4.03Å; A349-N373 PolarHBondContact O-N 3.49Å; A349-N373 VanDerWaalsContact O-N 3.11Å; A349-Y374 PolarHBondContact O-N 3.18Å
350	I	86.3	Confident	72.1	Confident	9 Å²	9	69.9 Å²	69.9	5%	0.046	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	153.4	-174.3	61	77.7	0	0	0	114.6	V337 C348 F372 Y374 L376 L405	V337-I350 HydrophobicContact CG1-CG1 4.25Å; V337-I350 HydrophobicContact CG2-CG1 4.42Å; V337-I350 HydrophobicContact CG2-CG2 3.96Å; C348-I350 HydrophobicContact CB-CG2 4.39Å; C348-I350 PolarHBondContact O-N 3.23Å; C348-I350 VanDerWaalsContact O-N 3.1Å; C348-I350 WeakPolarHBondContact SG-CG2 3.47Å; I350-F372 WeakPolarHBondContact O-CD1 3.45Å; I350-F372 WeakPolarHBondContact O-CE1 3.49Å; I350-Y374 CarbonylContact C-O 3.2Å; I350-Y374 WeakPolarHBondContact CA-O 3.48Å; I350-L376 HydrophobicContact CB-CB 4.28Å; I350-L376 HydrophobicContact CD1-CB 4.19Å; I350-L376 HydrophobicContact CD1-CD1 3.75Å; I350-L376 HydrophobicContact CG1-CB 4.43Å; I350-L376 HydrophobicContact CG1-CD1 4.14Å; I350-L405 HydrophobicContact CD1-CD1 4.04Å; I350-L405 HydrophobicContact CD1-CD2 3.49Å; I350-L405 VanDerWaalsContact CD1-CD2 3.49Å; I350-L405 HydrophobicContact CD1-CG 4.42Å
351	I	83.3	Confident	69.7	Low	60 Å²	60	72.2 Å²	72.2	31%	0.308	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	128.9	166.6	-58.6	172.4	0	0	0	108.4	I358 F372 Y374 L376	I351-I358 HydrophobicContact CG2-CD1 4.35Å; I351-F372 HydrophobicContact CD1-CB 3.86Å; I351-F372 HydrophobicContact CG1-CB 3.57Å; I351-F372 HydrophobicContact CG1-CG 4.13Å; I351-Y374 PolarHBondContact N-O 2.98Å; I351-L376 PolarHBondContact O-N 2.81Å
352	W	83.8	Confident	67.4	Low	9 Å²	9	79 Å²	79	3%	0.034	40%	0.401	C	S	.	.			trans	-101.7	104.6	170	-158.3	-17.9	0	0	0	109.2	N229 L339 N354 D355 L376 A379 L405 Q408 F409 M412	N229-W352 PolarHBondContact OD1-NE1 2.73Å; N229-W352 VanDerWaalsContact OD1-NE1 3.09Å; L339-W352 HydrophobicContact CD1-CZ3 4.48Å; W352-N354 PolarHBondContact O-N 2.78Å; W352-N354 VanDerWaalsContact O-N 3.09Å; W352-D355 VanDerWaalsContact O-CB 3.31Å; W352-D355 WeakPolarHBondContact O-CB 3.35Å; W352-D355 PolarHBondContact O-N 3.23Å; W352-D355 VanDerWaalsContact O-N 3.17Å; W352-L376 HydrophobicContact CD2-CD1 4.25Å; W352-L376 HydrophobicContact CD2-CD2 4.11Å; W352-L376 HydrophobicContact CE3-CD1 4.01Å; W352-L376 HydrophobicContact CG-CD2 4.41Å; W352-L376 HydrophobicContact CZ2-CD2 4.21Å; W352-L376 HydrophobicContact CZ3-CD1 4.32Å; W352-A379 HydrophobicContact CH2-CB 3.66Å; W352-A379 HydrophobicContact CZ2-CB 4.28Å; W352-A379 HydrophobicContact CZ3-CB 4.11Å; W352-L405 HydrophobicContact CE3-CD2 4.21Å; W352-Q408 HydrophobicContact CD2-CG 3.73Å; W352-Q408 HydrophobicContact CE3-CB 3.96Å; W352-Q408 HydrophobicContact CE3-CG 3.65Å; W352-Q408 HydrophobicContact CG-CG 4.21Å; W352-Q408 HydrophobicContact CZ3-CB 4.17Å; W352-Q408 HydrophobicContact CZ3-CG 4.13Å; W352-F409 VanDerWaalsContact CH2-CA 3.4Å; W352-F409 HydrophobicContact CH2-CB 3.8Å; W352-F409 HydrophobicContact CH2-CD2 4.05Å; W352-F409 HydrophobicContact CH2-CG 4.36Å; W352-F409 HydrophobicContact CZ3-CB 3.97Å; W352-M412 HydrophobicContact CZ2-CB 4.22Å; W352-M412 HydrophobicContact CZ2-CG 3.88Å
353	S	69.2	Low	64.9	Low	95 Å²	95	80.1 Å²	80.1	66%	0.664	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-20.1	-167.9	51	0	0	0	0	116.2	D355	S353-D355 PolarHBondContact O-N 3.22Å
354	N	62.7	Low	62.4	Low	71 Å²	71	87.7 Å²	87.7	38%	0.38	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	13	179.1	-69.5	-3.6	0	0	0	113.4	W352 Y356 Q408 M412	W352-N354 PolarHBondContact O-N 2.78Å; W352-N354 VanDerWaalsContact O-N 3.09Å; N354-Y356 PolarHBondContact O-N 3.38Å; N354-Q408 PolarHBondContact O-NE2 3.32Å; N354-M412 HydrophobicContact CB-SD 4.22Å
355	D	54.5	Low	59.9	Low	16 Å²	16	93.8 Å²	93.8	9%	0.086	47%	0.474	C	S	.	.			trans	-87.5	87.8	179.4	-164.8	-11.4	0	0	0	111	W352 S353 S357 I358 R404	W352-D355 VanDerWaalsContact O-CB 3.31Å; W352-D355 WeakPolarHBondContact O-CB 3.35Å; W352-D355 PolarHBondContact O-N 3.23Å; W352-D355 VanDerWaalsContact O-N 3.17Å; S353-D355 PolarHBondContact O-N 3.22Å; D355-S357 PolarHBondContact O-N 3.46Å; D355-S357 WeakPolarHBondContact OD1-CB 3.33Å; D355-S357 PolarHBondContact OD1-N 2.89Å; D355-S357 PolarHBondContact OD1-OG 3.25Å; D355-I358 HydrophobicContact CB-CD1 3.98Å; D355-I358 HydrophobicContact CB-CG1 4.16Å; D355-I358 WeakPolarHBondContact O-CG1 3.21Å; D355-I358 PolarHBondContact O-N 3.42Å; D355-I358 VanDerWaalsContact O-N 3.11Å; D355-R404 VanDerWaalsContact CG-NH2 3.26Å; D355-R404 IonicContact OD1-NH2 2.7Å; D355-R404 IonicContact OD2-CZ 3.78Å; D355-R404 IonicContact OD2-NE 3.11Å; D355-R404 PolarHBondContact OD2-NE 3.35Å; D355-R404 IonicContact OD2-NH2 2.69Å; D355-R404 PolarHBondContact OD2-NH2 3.43Å
356	Y	45.3	Very low	58	Low	213 Å²	213	96.8 Å²	96.8	84%	0.835	50%	0.497	S	S	*	.	G	3₁₀ helix	trans	-55.2	-16.3	176.7	-72.3	-83.9	0	0	0	113.8	N354 I358	N354-Y356 PolarHBondContact O-N 3.38Å; Y356-I358 VanDerWaalsContact C-N 3.27Å; Y356-I358 PolarHBondContact O-N 3.41Å
357	S	47.5	Very low	55.7	Low	51 Å²	51	93 Å²	93	36%	0.357	49%	0.486	S	S	.	.	G	3₁₀ helix	trans	-76.7	-9.5	179.1	70.1	0	0	0	0	114.2	D355 H359 N360 R404	D355-S357 PolarHBondContact O-N 3.46Å; D355-S357 WeakPolarHBondContact OD1-CB 3.33Å; D355-S357 PolarHBondContact OD1-N 2.89Å; D355-S357 PolarHBondContact OD1-OG 3.25Å; S357-H359 PolarHBondContact O-N 3.14Å; S357-N360 PolarHBondContact O-N 3.06Å; S357-R404 PolarHBondContact OG-NH2 2.87Å
358	I	45.8	Very low	53.7	Low	81 Å²	81	92.4 Å²	92.4	42%	0.415	49%	0.487	S	S	.	.	G	3₁₀ helix	trans	-65.6	-25	178.1	-62.1	172.3	0	0	0	111.6	I351 D355 Y356 R404	I351-I358 HydrophobicContact CG2-CD1 4.35Å; D355-I358 HydrophobicContact CB-CD1 3.98Å; D355-I358 HydrophobicContact CB-CG1 4.16Å; D355-I358 WeakPolarHBondContact O-CG1 3.21Å; D355-I358 PolarHBondContact O-N 3.42Å; D355-I358 VanDerWaalsContact O-N 3.11Å; Y356-I358 VanDerWaalsContact C-N 3.27Å; Y356-I358 PolarHBondContact O-N 3.41Å; I358-R404 VanDerWaalsContact CG1-NH2 3.27Å
359	H	42.4	Very low	51.9	Low	153 Å²	153	96.3 Å²	96.3	71%	0.708	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-83.8	-12.4	-178.9	-70.5	-59.4	0	0	0	115.3	S357	S357-H359 PolarHBondContact O-N 3.14Å
360	N	39.4	Very low	50	Low	148 Å²	148	103.5 Å²	103.5	79%	0.791	54%	0.535	S	S	*	.	G	3₁₀ helix	trans	-106.1	7.4	-175.2	-81.6	-2.1	0	0	0	115.3	S357 Q362	S357-N360 PolarHBondContact O-N 3.06Å; N360-Q362 PolarHBondContact O-N 3.29Å
361	V	39.2	Very low	48.5	Very low	75 Å²	75	106.6 Å²	106.6	46%	0.455	56%	0.557	S	S	.	*			trans	-97.1	71.5	172.6	-170	0	0	0	0	109.2	F364	V361-F364 HydrophobicContact CG1-CD2 4.27Å
362	Q	33.2	Very low	47.5	Very low	188 Å²	188	105.6 Å²	105.6	88%	0.879	55%	0.551	S	S	*	*			trans	-97.8	16.8	174.6	-85.3	-171.6	-15.8	0	0	114	N360	N360-Q362 PolarHBondContact O-N 3.29Å
363	S	31	Very low	46.6	Very low	99 Å²	99	111 Å²	111	69%	0.692	58%	0.58	S	S	*	*			trans	-143.9	63.1	177.2	68.8	0	0	0	0	113.1
364	F	34.6	Very low	47.1	Very low	164 Å²	164	111.4 Å²	111.4	72%	0.719	57%	0.568	S	S	*	*			trans	-136.1	105.4	153.7	-88.1	-82.5	0	0	0	108.3	V361 S366	V361-F364 HydrophobicContact CG1-CD2 4.27Å; F364-S366 PolarHBondContact O-N 3.34Å
365	H	34.2	Very low	48.3	Very low	204 Å²	204	114.1 Å²	114.1	94%	0.944	58%	0.578	S	S	*	*	S	Bend	trans	-69.1	77.3	171	-80	-71.5	0	0	0	110.1
366	S	42.4	Very low	50.1	Low	87 Å²	87	113.8 Å²	113.8	61%	0.608	58%	0.576	S	S	*	*	S	Bend	trans	171.1	99.3	158.1	53.9	0	0	0	0	104.6	F364 P368	F364-S366 PolarHBondContact O-N 3.34Å; S366-P368 WeakPolarHBondContact O-CD 3.41Å; S366-P368 VanDerWaalsContact O-CG 3.31Å; S366-P368 WeakPolarHBondContact O-CG 3.26Å; S366-P368 VanDerWaalsContact O-N 3.08Å
367	N	36.2	Very low	52.4	Low	113 Å²	113	105.4 Å²	105.4	60%	0.604	54%	0.544	S	S	*	.			trans	-70.4	100.9	-168.4	-151.3	6.5	0	0	0	110.1	F369	N367-F369 PolarHBondContact O-N 3.21Å; N367-F369 VanDerWaalsContact O-N 3.09Å
368	P	43.7	Very low	54.8	Low	83 Å²	83	103 Å²	103	54%	0.539	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	5.9	-177.4	-5.3	26.4	0	0	0	111.6	S366	S366-P368 WeakPolarHBondContact O-CD 3.41Å; S366-P368 VanDerWaalsContact O-CG 3.31Å; S366-P368 WeakPolarHBondContact O-CG 3.26Å; S366-P368 VanDerWaalsContact O-N 3.08Å
369	F	48.6	Very low	57.2	Low	85 Å²	85	99.1 Å²	99.1	37%	0.373	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-2.1	-167.6	-66.5	-80.2	0	0	0	114.6	N367 S371 F372	N367-F369 PolarHBondContact O-N 3.21Å; N367-F369 VanDerWaalsContact O-N 3.09Å; F369-S371 PolarHBondContact O-N 3.5Å; F369-F372 HydrophobicContact CB-CD2 4.2Å; F369-F372 HydrophobicContact CB-CE2 4.31Å; F369-F372 AromaticContact CD1-CD2 3.75Å; F369-F372 HydrophobicContact CD1-CD2 3.75Å; F369-F372 AromaticContact CD1-CE2 3.27Å; F369-F372 HydrophobicContact CD1-CE2 3.27Å; F369-F372 HydrophobicContact CD1-CZ 4.24Å; F369-F372 AromaticContact CE1-CE2 3.84Å; F369-F372 HydrophobicContact CE1-CE2 3.84Å; F369-F372 HydrophobicContact CE1-CZ 4.41Å; F369-F372 HydrophobicContact CG-CD2 4.43Å; F369-F372 HydrophobicContact CG-CE2 4.11Å
370	E	46.3	Very low	59.8	Low	169 Å²	169	91.9 Å²	91.9	79%	0.79	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-8.4	175.6	-78.4	-175.8	171.3	0	0	114
371	S	55.5	Low	62.4	Low	74 Å²	74	85 Å²	85	52%	0.517	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	3.6	-177.1	67.4	0	0	0	0	115.8	A349 F369	A349-S371 VanDerWaalsContact CB-O 3.25Å; A349-S371 WeakPolarHBondContact CB-O 3.44Å; F369-S371 PolarHBondContact O-N 3.5Å
372	F	61	Low	64.6	Low	39 Å²	39	83.5 Å²	83.5	17%	0.171	43%	0.427	C	S	.	.			trans	-87.6	112.3	-178.4	-66.9	-79.1	0	0	0	111.8	A349 I350 I351 F369 L401	A349-F372 HydrophobicContact CB-CD1 4.03Å; I350-F372 WeakPolarHBondContact O-CD1 3.45Å; I350-F372 WeakPolarHBondContact O-CE1 3.49Å; I351-F372 HydrophobicContact CD1-CB 3.86Å; I351-F372 HydrophobicContact CG1-CB 3.57Å; I351-F372 HydrophobicContact CG1-CG 4.13Å; F369-F372 HydrophobicContact CB-CD2 4.2Å; F369-F372 HydrophobicContact CB-CE2 4.31Å; F369-F372 AromaticContact CD1-CD2 3.75Å; F369-F372 HydrophobicContact CD1-CD2 3.75Å; F369-F372 AromaticContact CD1-CE2 3.27Å; F369-F372 HydrophobicContact CD1-CE2 3.27Å; F369-F372 HydrophobicContact CD1-CZ 4.24Å; F369-F372 AromaticContact CE1-CE2 3.84Å; F369-F372 HydrophobicContact CE1-CE2 3.84Å; F369-F372 HydrophobicContact CE1-CZ 4.41Å; F369-F372 HydrophobicContact CG-CD2 4.43Å; F369-F372 HydrophobicContact CG-CE2 4.11Å; F372-L401 HydrophobicContact CE1-CD2 4.18Å; F372-L401 HydrophobicContact CZ-CD2 4Å
373	N	66.8	Low	67.1	Low	123 Å²	123	76.8 Å²	76.8	66%	0.658	40%	0.395	S	S	*	.			trans	-105.3	-12.2	-169.5	-70.5	-20.1	0	0	0	114.5	A349	A349-N373 PolarHBondContact O-N 3.49Å; A349-N373 VanDerWaalsContact O-N 3.11Å
374	Y	78.3	Confident	69.6	Low	103 Å²	103	76.3 Å²	76.3	40%	0.404	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	140.9	-169.5	-58.8	-76.3	0	0	0	112.7	E334 A349 I350 I351	E334-Y374 WeakPolarHBondContact OE2-CD1 3.35Å; A349-Y374 PolarHBondContact O-N 3.18Å; I350-Y374 CarbonylContact C-O 3.2Å; I350-Y374 WeakPolarHBondContact CA-O 3.48Å; I351-Y374 PolarHBondContact N-O 2.98Å
375	H	88.2	Confident	72	Confident	129 Å²	129	72.6 Å²	72.6	60%	0.597	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.8	130.2	166.4	-70.2	-66.5	0	0	0	109.6	E334 K377	E334-H375 WeakPolarHBondContact CB-O 3.32Å; H375-K377 PolarHBondContact O-N 3.23Å
376	L	92.3	Very high	74.6	Confident	9 Å²	9	64.5 Å²	64.5	5%	0.047	34%	0.338	C	S	.	.			trans	-62.2	120.3	178.7	-178.2	143.7	0	0	0	110.3	N229 V337 I350 I351 W352 A379	N229-L376 HydrophobicContact CB-CD2 4.2Å; N229-L376 WeakPolarHBondContact CB-O 3.31Å; N229-L376 WeakPolarHBondContact ND2-CD2 3.3Å; V337-L376 HydrophobicContact CB-CD1 4.07Å; V337-L376 HydrophobicContact CG1-CD1 4.22Å; V337-L376 HydrophobicContact CG2-CD1 4.02Å; V337-L376 HydrophobicContact CG2-CG 4.19Å; I350-L376 HydrophobicContact CB-CB 4.28Å; I350-L376 HydrophobicContact CD1-CB 4.19Å; I350-L376 HydrophobicContact CD1-CD1 3.75Å; I350-L376 HydrophobicContact CG1-CB 4.43Å; I350-L376 HydrophobicContact CG1-CD1 4.14Å; I351-L376 PolarHBondContact O-N 2.81Å; W352-L376 HydrophobicContact CD2-CD1 4.25Å; W352-L376 HydrophobicContact CD2-CD2 4.11Å; W352-L376 HydrophobicContact CE3-CD1 4.01Å; W352-L376 HydrophobicContact CG-CD2 4.41Å; W352-L376 HydrophobicContact CZ2-CD2 4.21Å; W352-L376 HydrophobicContact CZ3-CD1 4.32Å; L376-A379 HydrophobicContact CD1-CB 4.07Å; L376-A379 HydrophobicContact CD2-CB 3.89Å; L376-A379 HydrophobicContact CG-CB 4.47Å
377	K	94.8	Very high	76.8	Confident	36 Å²	36	60.5 Å²	60.5	16%	0.157	31%	0.31	C	S	.	.			trans	-101.8	-43.3	179.1	-59.3	-169.1	-178.3	-167	0	112.3	N229 E234 E334 W335 H375	N229-K377 WeakPolarHBondContact CA-O 3.32Å; N229-K377 PolarHBondContact N-O 2.85Å; E234-K377 IonicContact OE2-NZ 3.59Å; E234-K377 PolarHBondContact OE2-NZ 3.27Å; E334-K377 HydrophobicContact CB-CG 4.38Å; E334-K377 HydrophobicContact CG-CB 4.49Å; E334-K377 HydrophobicContact CG-CD 3.91Å; E334-K377 HydrophobicContact CG-CG 3.86Å; E334-K377 WeakPolarHBondContact O-CB 3.3Å; E334-K377 PolarHBondContact O-N 3.44Å; W335-K377 HydrophobicContact CD2-CB 4.14Å; W335-K377 HydrophobicContact CD2-CD 3.76Å; W335-K377 VanDerWaalsContact CE2-CD 3.44Å; W335-K377 HydrophobicContact CE3-CB 3.72Å; W335-K377 HydrophobicContact CE3-CD 3.95Å; W335-K377 HydrophobicContact CH2-CB 4.36Å; W335-K377 HydrophobicContact CH2-CD 3.53Å; W335-K377 HydrophobicContact CZ2-CD 3.35Å; W335-K377 HydrophobicContact CZ3-CB 3.81Å; W335-K377 HydrophobicContact CZ3-CD 3.82Å; W335-K377 HydrophobicContact CZ3-CG 4.47Å; H375-K377 PolarHBondContact O-N 3.23Å
378	I	96.6	Very high	79.2	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	120.9	173.4	-57.9	-179.3	0	0	0	109	L226 L227 V228 L232 L235 V278 E334 W335 V337	L226-I378 HydrophobicContact CB-CG2 4.1Å; L226-I378 HydrophobicContact CD1-CG2 4.13Å; L226-I378 HydrophobicContact CD2-CG2 4.11Å; L226-I378 HydrophobicContact CG-CG2 4.35Å; L227-I378 WeakPolarHBondContact O-CA 3.26Å; V228-I378 HydrophobicContact CG2-CD1 4.48Å; V228-I378 HydrophobicContact CG2-CG1 4.31Å; L232-I378 HydrophobicContact CD2-CD1 4.26Å; L235-I378 HydrophobicContact CD2-CD1 3.99Å; V278-I378 HydrophobicContact CG1-CD1 4.37Å; V278-I378 HydrophobicContact CG2-CD1 4.19Å; V278-I378 HydrophobicContact CG2-CG2 4.12Å; E334-I378 PolarHBondContact O-N 3.18Å; W335-I378 HydrophobicContact CE3-CD1 3.9Å; W335-I378 HydrophobicContact CE3-CG1 4.01Å; W335-I378 HydrophobicContact CZ3-CD1 4.35Å; W335-I378 HydrophobicContact CZ3-CG1 4.4Å; W335-I378 WeakPolarHBondContact O-CB 3.37Å; V337-I378 PolarHBondContact N-O 3.03Å
379	A	96.4	Very high	81.1	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	131.6	169.7	0	0	0	0	0	109.1	L226 L227 L339 W352 L376 F409	L226-A379 CarbonylContact C-O 3.3Å; L226-A379 VanDerWaalsContact CA-O 3.3Å; L226-A379 WeakPolarHBondContact CA-O 3.07Å; L227-A379 PolarHBondContact N-O 2.89Å; L227-A379 PolarHBondContact O-N 2.77Å; L339-A379 HydrophobicContact CD1-CB 4.31Å; W352-A379 HydrophobicContact CH2-CB 3.66Å; W352-A379 HydrophobicContact CZ2-CB 4.28Å; W352-A379 HydrophobicContact CZ3-CB 4.11Å; L376-A379 HydrophobicContact CD1-CB 4.07Å; L376-A379 HydrophobicContact CD2-CB 3.89Å; L376-A379 HydrophobicContact CG-CB 4.47Å; A379-F409 HydrophobicContact CB-CD2 3.68Å; A379-F409 HydrophobicContact CB-CE2 4.08Å
380	H	96.2	Very high	82.9	Confident	2 Å²	2	54.1 Å²	54.1	1%	0.009	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	111.4	178.7	179.1	179	0	0	0	109.1	D223 D225 L226 N275 N336 V337 L339 N382	D223-H380 IonicContact OD2-CE1 3.94Å; D223-H380 IonicContact OD2-NE2 3.37Å; D225-H380 IonicContact OD1-CD2 2.67Å; D225-H380 PolarHBondContact OD1-CD2 2.61Å; D225-H380 IonicContact OD1-NE2 2.79Å; D225-H380 PolarHBondContact OD1-NE2 3.42Å; L226-H380 HydrophobicContact CD2-CB 3.36Å; L226-H380 VanDerWaalsContact CD2-CG 3.41Å; N275-H380 PolarHBondContact OD1-CE1 3.18Å; N275-H380 VanDerWaalsContact OD1-CE1 3.24Å; N275-H380 PolarHBondContact OD1-ND1 3.18Å; N275-H380 VanDerWaalsContact OD1-ND1 3.11Å; N336-H380 VanDerWaalsContact OD1-CB 3.27Å; N336-H380 WeakPolarHBondContact OD1-CB 3.47Å; N336-H380 PolarHBondContact OD1-ND1 2.89Å; V337-H380 PolarHBondContact O-N 3.01Å; L339-H380 WeakPolarHBondContact CB-O 3.33Å; L339-H380 PolarHBondContact N-O 3.27Å; H380-N382 PolarHBondContact O-N 3.06Å
381	F	94.2	Very high	84.8	Confident	3 Å²	3	49.5 Å²	49.5	1%	0.013	26%	0.256	C	S	.	.			trans	-81.1	70.4	176	-166.2	-103.5	0	0	0	110.7	D225 H383 A387 I390 K406 F409 M410	D225-F381 PolarHBondContact O-N 2.96Å; F381-H383 HydrophobicContact CD1-CB 3.76Å; F381-H383 HydrophobicContact CE1-CB 3.53Å; F381-H383 HydrophobicContact CZ-CB 4.11Å; F381-H383 PolarHBondContact O-N 2.81Å; F381-A387 HydrophobicContact CD1-CB 4.14Å; F381-A387 HydrophobicContact CE1-CB 4.34Å; F381-I390 HydrophobicContact CE1-CD1 3.96Å; F381-I390 HydrophobicContact CZ-CD1 4.09Å; F381-K406 HydrophobicContact CE2-CB 4.46Å; F381-K406 HydrophobicContact CE2-CG 4.41Å; F381-F409 HydrophobicContact CB-CD1 3.77Å; F381-F409 HydrophobicContact CB-CD2 4.11Å; F381-F409 HydrophobicContact CB-CE1 3.35Å; F381-F409 HydrophobicContact CB-CE2 3.69Å; F381-F409 HydrophobicContact CB-CG 4.16Å; F381-F409 HydrophobicContact CB-CZ 3.31Å; F381-F409 HydrophobicContact CD1-CE1 4.43Å; F381-F409 HydrophobicContact CD2-CB 4.44Å; F381-F409 AromaticContact CD2-CD1 3.56Å; F381-F409 HydrophobicContact CD2-CD1 3.56Å; F381-F409 AromaticContact CD2-CE1 3.99Å; F381-F409 HydrophobicContact CD2-CE1 3.99Å; F381-F409 AromaticContact CD2-CG 3.95Å; F381-F409 HydrophobicContact CD2-CG 3.95Å; F381-F409 HydrophobicContact CE2-CD1 4.33Å; F381-F409 AromaticContact CG-CD1 3.79Å; F381-F409 HydrophobicContact CG-CD1 3.79Å; F381-F409 AromaticContact CG-CE1 3.69Å; F381-F409 HydrophobicContact CG-CE1 3.69Å; F381-F409 HydrophobicContact CG-CG 4.4Å; F381-F409 HydrophobicContact CG-CZ 4.18Å; F381-M410 HydrophobicContact CE1-SD 4.38Å; F381-M410 HydrophobicContact CE2-CG 4.21Å; F381-M410 HydrophobicContact CE2-SD 4.19Å; F381-M410 HydrophobicContact CZ-CG 4.46Å; F381-M410 HydrophobicContact CZ-SD 4.02Å
382	N	86.2	Confident	86.3	Confident	44 Å²	44	49.1 Å²	49.1	24%	0.235	25%	0.248	C	C	.	.			trans	-73.1	75.2	-176.9	-168.1	-3.4	0	0	0	110.8	N275 H380	N275-N382 PolarHBondContact ND2-ND2 2.61Å; H380-N382 PolarHBondContact O-N 3.06Å
383	H	85.7	Confident	87.4	Confident	46 Å²	46	54 Å²	54	21%	0.213	28%	0.276	C	S	.	.			trans	-133.4	141.6	-175.4	-166.8	-91.9	0	0	0	110.8	F381 I385	F381-H383 HydrophobicContact CD1-CB 3.76Å; F381-H383 HydrophobicContact CE1-CB 3.53Å; F381-H383 HydrophobicContact CZ-CB 4.11Å; F381-H383 PolarHBondContact O-N 2.81Å; H383-I385 VanDerWaalsContact C-N 3.34Å; H383-I385 PolarHBondContact ND1-N 2.77Å; H383-I385 PolarHBondContact ND1-O 2.77Å; H383-I385 PolarHBondContact O-N 2.81Å
384	P	82.6	Confident	88.4	Confident	90 Å²	90	53.7 Å²	53.7	58%	0.584	27%	0.271	S	S	*	.	S	Bend	trans	-62.2	-39.4	179.8	-24.1	34	0	0	0	113.2	Y197	Y197-P384 HydrophobicContact CD1-CB 4.49Å
385	I	86.3	Confident	88.8	Confident	85 Å²	85	49.1 Å²	49.1	44%	0.436	25%	0.253	S	S	.	.	S	Bend	trans	-88.2	128.2	172.7	-50.8	172.8	0	0	0	108	H383 M389 I390	H383-I385 VanDerWaalsContact C-N 3.34Å; H383-I385 PolarHBondContact ND1-N 2.77Å; H383-I385 PolarHBondContact ND1-O 2.77Å; H383-I385 PolarHBondContact O-N 2.81Å; I385-M389 HydrophobicContact CG2-CB 3.83Å; I385-I390 HydrophobicContact CB-CD1 3.79Å; I385-I390 HydrophobicContact CB-CG1 3.98Å; I385-I390 HydrophobicContact CG2-CD1 3.86Å; I385-I390 HydrophobicContact CG2-CG1 3.44Å; I385-I390 VanDerWaalsContact CG2-CG1 3.44Å; I385-I390 WeakPolarHBondContact O-CD1 3.12Å
386	K	88.4	Confident	88.8	Confident	35 Å²	35	49.6 Å²	49.6	15%	0.152	26%	0.259	C	S	.	.			trans	-77.5	154.6	-176.8	-55.9	-55.7	-178.5	-171.6	0	112	Y197 D225 D388 M389	Y197-K386 PolarHBondContact OH-NZ 2.79Å; D225-K386 IonicContact OD2-NZ 2.8Å; D225-K386 PolarHBondContact OD2-NZ 3.23Å; K386-D388 PolarHBondContact O-N 2.93Å; K386-D388 VanDerWaalsContact O-N 3.13Å; K386-M389 PolarHBondContact O-N 2.81Å
387	A	89.4	Confident	88.6	Confident	2 Å²	2	49.8 Å²	49.8	2%	0.017	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-57	-29	-173.1	0	0	0	0	0	114.6	F381 M389 F409 M410 Y413 R414	F381-A387 HydrophobicContact CD1-CB 4.14Å; F381-A387 HydrophobicContact CE1-CB 4.34Å; A387-M389 VanDerWaalsContact C-N 3.26Å; A387-M389 PolarHBondContact O-N 3.4Å; A387-F409 HydrophobicContact CB-CE1 3.93Å; A387-M410 HydrophobicContact CB-CE 4.3Å; A387-M410 HydrophobicContact CB-SD 3.49Å; A387-M410 WeakPolarHBondContact CB-SD 3.35Å; A387-M410 WeakPolarHBondContact O-CE 3.46Å; A387-Y413 HydrophobicContact CB-CD1 3.87Å; A387-Y413 HydrophobicContact CB-CD2 3.89Å; A387-Y413 HydrophobicContact CB-CE1 3.93Å; A387-Y413 HydrophobicContact CB-CE2 3.94Å; A387-Y413 HydrophobicContact CB-CG 3.86Å; A387-R414 PolarHBondContact O-NH2 3.04Å
388	D	85.7	Confident	88.3	Confident	16 Å²	16	54.8 Å²	54.8	9%	0.086	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-70.8	-21.6	178.1	66.4	-33.1	0	0	0	113.4	Q89 R92 K386 Y413 R414	Q89-D388 PolarHBondContact NE2-OD1 3.33Å; R92-D388 IonicContact CZ-OD2 3.57Å; R92-D388 IonicContact NE-OD2 3.48Å; R92-D388 IonicContact NH2-OD2 3.23Å; R92-D388 PolarHBondContact NH2-OD2 3.06Å; K386-D388 PolarHBondContact O-N 2.93Å; K386-D388 VanDerWaalsContact O-N 3.13Å; D388-Y413 HydrophobicContact CB-CE1 4.16Å; D388-R414 PolarHBondContact O-NH2 3.32Å
389	M	84.9	Confident	88	Confident	119 Å²	119	57.7 Å²	57.7	59%	0.586	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-98.2	-3.6	-177.9	-64.3	-176.3	68.5	0	0	114.7	Q89 I385 K386 A387	Q89-M389 PolarHBondContact NE2-SD 2.68Å; I385-M389 HydrophobicContact CG2-CB 3.83Å; K386-M389 PolarHBondContact O-N 2.81Å; A387-M389 VanDerWaalsContact C-N 3.26Å; A387-M389 PolarHBondContact O-N 3.4Å
390	I	86.1	Confident	87.5	Confident	12 Å²	12	64.6 Å²	64.6	6%	0.062	34%	0.336	C	S	.	.			trans	-112.4	134.7	-177.9	-50.8	176.5	0	0	0	109.4	F381 I385 E394 I395 M410 R414	F381-I390 HydrophobicContact CE1-CD1 3.96Å; F381-I390 HydrophobicContact CZ-CD1 4.09Å; I385-I390 HydrophobicContact CB-CD1 3.79Å; I385-I390 HydrophobicContact CB-CG1 3.98Å; I385-I390 HydrophobicContact CG2-CD1 3.86Å; I385-I390 HydrophobicContact CG2-CG1 3.44Å; I385-I390 VanDerWaalsContact CG2-CG1 3.44Å; I385-I390 WeakPolarHBondContact O-CD1 3.12Å; I390-E394 HydrophobicContact CG2-CB 3.75Å; I390-I395 HydrophobicContact CG2-CG1 4Å; I390-M410 HydrophobicContact CB-CE 4.09Å; I390-M410 WeakPolarHBondContact O-CE 3.37Å; I390-R414 PolarHBondContact O-NH2 3.35Å; I390-R414 VanDerWaalsContact O-NH2 3.15Å
391	T	85.6	Confident	87	Confident	72 Å²	72	67 Å²	67	44%	0.442	35%	0.349	S	S	.	.			trans	-86.5	156.1	170	68.3	0	0	0	0	110.9	N393 E394	T391-N393 PolarHBondContact O-N 2.87Å; T391-E394 WeakPolarHBondContact CB-OE2 3.17Å; T391-E394 WeakPolarHBondContact CG2-OE2 3.28Å; T391-E394 PolarHBondContact N-OE2 3.04Å; T391-E394 PolarHBondContact O-N 3.26Å; T391-E394 VanDerWaalsContact O-N 3.07Å; T391-E394 VanDerWaalsContact OG1-CG 3.3Å; T391-E394 WeakPolarHBondContact OG1-CG 3.49Å; T391-E394 PolarHBondContact OG1-OE2 2.97Å
392	L	86.1	Confident	86.8	Confident	66 Å²	66	68 Å²	68	35%	0.346	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-29	-177.8	-166	72.2	0	0	0	113.2	I395 R407 M410	L392-I395 HydrophobicContact CD1-CD1 3.96Å; L392-R407 HydrophobicContact CD1-CB 3.92Å; L392-R407 HydrophobicContact CD1-CG 3.86Å; L392-R407 HydrophobicContact CG-CG 4.42Å; L392-M410 HydrophobicContact CD1-CB 4.18Å
393	N	85.7	Confident	87	Confident	141 Å²	141	66.7 Å²	66.7	75%	0.754	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-24.8	-178.6	-66.5	-15.4	0	0	0	113	T391 I395	T391-N393 PolarHBondContact O-N 2.87Å; N393-I395 VanDerWaalsContact C-N 3.27Å
394	E	87.2	Confident	87.2	Confident	117 Å²	117	67.7 Å²	67.7	55%	0.547	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-11	177.5	-70.3	164.7	139.2	0	0	112.4	I390 T391 I396	I390-E394 HydrophobicContact CG2-CB 3.75Å; T391-E394 WeakPolarHBondContact CB-OE2 3.17Å; T391-E394 WeakPolarHBondContact CG2-OE2 3.28Å; T391-E394 PolarHBondContact N-OE2 3.04Å; T391-E394 PolarHBondContact O-N 3.26Å; T391-E394 VanDerWaalsContact O-N 3.07Å; T391-E394 VanDerWaalsContact OG1-CG 3.3Å; T391-E394 WeakPolarHBondContact OG1-CG 3.49Å; T391-E394 PolarHBondContact OG1-OE2 2.97Å; E394-I396 PolarHBondContact O-N 2.79Å
395	I	87.2	Confident	87.6	Confident	8 Å²	8	64 Å²	64	4%	0.041	32%	0.322	C	S	.	.			trans	-78.1	108.9	174.9	-53.9	164	0	0	0	108.9	I390 L392 N393 L403 K406 R407 M410	I390-I395 HydrophobicContact CG2-CG1 4Å; L392-I395 HydrophobicContact CD1-CD1 3.96Å; N393-I395 VanDerWaalsContact C-N 3.27Å; I395-L403 HydrophobicContact CG2-CD1 3.99Å; I395-L403 WeakPolarHBondContact O-CD1 3.45Å; I395-K406 HydrophobicContact CG2-CB 3.69Å; I395-K406 HydrophobicContact CG2-CD 4.17Å; I395-R407 HydrophobicContact CD1-CG 4.26Å; I395-R407 HydrophobicContact CG2-CG 4.41Å; I395-M410 HydrophobicContact CD1-CB 3.84Å; I395-M410 HydrophobicContact CD1-CE 4.46Å; I395-M410 HydrophobicContact CD1-CG 3.42Å; I395-M410 VanDerWaalsContact CD1-CG 3.42Å; I395-M410 HydrophobicContact CG1-CG 4.47Å
396	I	87.2	Confident	87.8	Confident	139 Å²	139	60.2 Å²	60.2	71%	0.713	30%	0.303	S	S	*	.			trans	-122.3	137.1	176.6	-55.1	172.3	0	0	0	108.1	E394	E394-I396 PolarHBondContact O-N 2.79Å
397	D	88.6	Confident	88	Confident	12 Å²	12	63.1 Å²	63.1	6%	0.064	31%	0.313	C	S	.	.			trans	-150	139.8	173.1	-157.7	-67.5	0	0	0	107.9	D399 R402 L403 K406	D397-D399 VanDerWaalsContact C-N 3.29Å; D397-D399 PolarHBondContact OD1-N 3.08Å; D397-R402 HydrophobicContact CB-CB 4.45Å; D397-R402 IonicContact OD1-CZ 3.72Å; D397-R402 IonicContact OD1-NE 2.73Å; D397-R402 PolarHBondContact OD1-NE 3.49Å; D397-R402 IonicContact OD1-NH2 2.77Å; D397-R402 PolarHBondContact OD1-NH2 3.19Å; D397-R402 IonicContact OD2-NE 3.79Å; D397-R402 PolarHBondContact OD2-NE 3.4Å; D397-L403 HydrophobicContact CB-CB 3.96Å; D397-L403 HydrophobicContact CB-CD1 4.25Å; D397-K406 HydrophobicContact CB-CD 4.49Å; D397-K406 WeakPolarHBondContact OD2-CE 3.36Å; D397-K406 IonicContact OD2-NZ 3.54Å; D397-K406 PolarHBondContact OD2-NZ 2.97Å
398	D	88.3	Confident	88.1	Confident	142 Å²	142	63.7 Å²	63.7	76%	0.759	32%	0.315	S	S	*	.	S	Bend	trans	-71.3	-25	178.6	52.9	-44.5	0	0	0	112.3	R402	D398-R402 IonicContact OD1-CZ 3.95Å; D398-R402 IonicContact OD1-NH2 2.74Å; D398-R402 PolarHBondContact OD1-NH2 3.16Å; D398-R402 IonicContact OD2-NH2 2.59Å
399	D	89.5	Confident	88.5	Confident	60 Å²	60	62.9 Å²	62.9	32%	0.321	31%	0.311	S	S	.	.	S	Bend	trans	-95.3	122.9	174.7	-177.6	-75.9	0	0	0	110.8	I345 D397 L401 R402 L403	I345-D399 WeakPolarHBondContact CD1-OD1 3.34Å; D397-D399 VanDerWaalsContact C-N 3.29Å; D397-D399 PolarHBondContact OD1-N 3.08Å; D399-L401 VanDerWaalsContact C-N 3.3Å; D399-L401 PolarHBondContact O-N 3.36Å; D399-L401 WeakPolarHBondContact OD1-CA 3.41Å; D399-L401 WeakPolarHBondContact OD1-CB 3.41Å; D399-L401 PolarHBondContact OD1-N 3Å; D399-R402 HydrophobicContact CB-CB 4.1Å; D399-R402 HydrophobicContact CB-CG 3.98Å; D399-R402 PolarHBondContact O-N 3.22Å; D399-R402 PolarHBondContact OD1-N 3.13Å; D399-L403 WeakPolarHBondContact O-CB 3.41Å; D399-L403 PolarHBondContact O-N 3.2Å
400	Q	87.4	Confident	88.9	Confident	146 Å²	146	57.5 Å²	57.5	68%	0.682	28%	0.284	S	S	*	.	H	α-helix	trans	-62.6	-33.4	-176.8	-71	-63.1	-35.6	0	0	113.3	R404	Q400-R404 WeakPolarHBondContact O-CB 3.3Å; Q400-R404 PolarHBondContact O-N 3.36Å
401	L	86.2	Confident	89.2	Confident	51 Å²	51	63.7 Å²	63.7	27%	0.267	31%	0.307	S	S	.	.	H	α-helix	trans	-76.1	-40.3	179.9	-179.4	56.6	0	0	0	110.6	I345 F372 D399 R404 L405	I345-L401 HydrophobicContact CD1-CB 3.76Å; I345-L401 HydrophobicContact CD1-CD2 4.01Å; I345-L401 HydrophobicContact CD1-CG 3.93Å; I345-L401 HydrophobicContact CG2-CD2 3.63Å; I345-L401 HydrophobicContact CG2-CG 4.34Å; F372-L401 HydrophobicContact CE1-CD2 4.18Å; F372-L401 HydrophobicContact CZ-CD2 4Å; D399-L401 VanDerWaalsContact C-N 3.3Å; D399-L401 PolarHBondContact O-N 3.36Å; D399-L401 WeakPolarHBondContact OD1-CA 3.41Å; D399-L401 WeakPolarHBondContact OD1-CB 3.41Å; D399-L401 PolarHBondContact OD1-N 3Å; L401-R404 WeakPolarHBondContact O-CB 3.32Å; L401-R404 PolarHBondContact O-N 3.49Å; L401-L405 WeakPolarHBondContact O-CG 3.48Å; L401-L405 PolarHBondContact O-N 2.93Å
402	R	89	Confident	89.5	Confident	25 Å²	25	61.1 Å²	61.1	9%	0.094	29%	0.29	C	S	.	.	H	α-helix	trans	-62.7	-43.7	170.7	-65.6	-164	-57.7	-146.1	-0.3	111.8	S341 M343 I345 D397 D398 D399 R404 L405 K406	S341-R402 PolarHBondContact O-NH1 2.94Å; S341-R402 PolarHBondContact O-NH2 2.92Å; S341-R402 VanDerWaalsContact O-NH2 3.08Å; M343-R402 HydrophobicContact CE-CG 4.36Å; M343-R402 WeakPolarHBondContact O-CD 3.18Å; M343-R402 PolarHBondContact O-NH1 3.44Å; M343-R402 VanDerWaalsContact O-NH1 3.13Å; I345-R402 HydrophobicContact CD1-CG 3.46Å; I345-R402 VanDerWaalsContact CD1-CG 3.46Å; I345-R402 HydrophobicContact CG1-CG 3.71Å; D397-R402 HydrophobicContact CB-CB 4.45Å; D397-R402 IonicContact OD1-CZ 3.72Å; D397-R402 IonicContact OD1-NE 2.73Å; D397-R402 PolarHBondContact OD1-NE 3.49Å; D397-R402 IonicContact OD1-NH2 2.77Å; D397-R402 PolarHBondContact OD1-NH2 3.19Å; D397-R402 IonicContact OD2-NE 3.79Å; D397-R402 PolarHBondContact OD2-NE 3.4Å; D398-R402 IonicContact OD1-CZ 3.95Å; D398-R402 IonicContact OD1-NH2 2.74Å; D398-R402 PolarHBondContact OD1-NH2 3.16Å; D398-R402 IonicContact OD2-NH2 2.59Å; D399-R402 HydrophobicContact CB-CB 4.1Å; D399-R402 HydrophobicContact CB-CG 3.98Å; D399-R402 PolarHBondContact O-N 3.22Å; D399-R402 PolarHBondContact OD1-N 3.13Å; R402-R404 VanDerWaalsContact C-N 3.3Å; R402-R404 PolarHBondContact O-N 2.89Å; R402-L405 PolarHBondContact O-N 2.92Å; R402-K406 WeakPolarHBondContact O-CB 3.29Å; R402-K406 WeakPolarHBondContact O-CG 3.47Å; R402-K406 PolarHBondContact O-N 3.07Å
403	L	90.1	Very high	89.9	Confident	16 Å²	16	58.4 Å²	58.4	8%	0.084	28%	0.275	C	S	.	.	H	α-helix	trans	-56.7	-46.8	175.8	-176.3	56.1	0	0	0	111	I395 D397 D399 K406 R407	I395-L403 HydrophobicContact CG2-CD1 3.99Å; I395-L403 WeakPolarHBondContact O-CD1 3.45Å; D397-L403 HydrophobicContact CB-CB 3.96Å; D397-L403 HydrophobicContact CB-CD1 4.25Å; D399-L403 WeakPolarHBondContact O-CB 3.41Å; D399-L403 PolarHBondContact O-N 3.2Å; L403-K406 PolarHBondContact O-N 3.47Å; L403-R407 HydrophobicContact CD1-CG 4.32Å; L403-R407 WeakPolarHBondContact O-CB 3.31Å; L403-R407 WeakPolarHBondContact O-CG 3.48Å; L403-R407 PolarHBondContact O-N 2.72Å
404	R	89.2	Confident	90.3	Very high	68 Å²	68	54.2 Å²	54.2	26%	0.257	25%	0.249	S	C	.	.	H	α-helix	trans	-58.9	-47.9	176.4	-179.1	178.1	175.6	169.6	-1	111.8	D355 S357 I358 Q400 L401 R402 R407 Q408	D355-R404 VanDerWaalsContact CG-NH2 3.26Å; D355-R404 IonicContact OD1-NH2 2.7Å; D355-R404 IonicContact OD2-CZ 3.78Å; D355-R404 IonicContact OD2-NE 3.11Å; D355-R404 PolarHBondContact OD2-NE 3.35Å; D355-R404 IonicContact OD2-NH2 2.69Å; D355-R404 PolarHBondContact OD2-NH2 3.43Å; S357-R404 PolarHBondContact OG-NH2 2.87Å; I358-R404 VanDerWaalsContact CG1-NH2 3.27Å; Q400-R404 WeakPolarHBondContact O-CB 3.3Å; Q400-R404 PolarHBondContact O-N 3.36Å; L401-R404 WeakPolarHBondContact O-CB 3.32Å; L401-R404 PolarHBondContact O-N 3.49Å; R402-R404 VanDerWaalsContact C-N 3.3Å; R402-R404 PolarHBondContact O-N 2.89Å; R404-R407 PolarHBondContact O-N 2.94Å; R404-Q408 WeakPolarHBondContact O-CB 3.43Å; R404-Q408 PolarHBondContact O-N 3.44Å
405	L	91	Very high	90.6	Very high	12 Å²	12	54.6 Å²	54.6	6%	0.063	25%	0.246	C	C	.	.	H	α-helix	trans	-64.2	-43.3	178.7	-69	175.5	0	0	0	112.8	L339 M343 I350 W352 L401 R402 Q408 F409	L339-L405 HydrophobicContact CD2-CB 3.8Å; L339-L405 HydrophobicContact CD2-CD1 4.23Å; M343-L405 HydrophobicContact CE-CD1 4.19Å; I350-L405 HydrophobicContact CD1-CD1 4.04Å; I350-L405 HydrophobicContact CD1-CD2 3.49Å; I350-L405 VanDerWaalsContact CD1-CD2 3.49Å; I350-L405 HydrophobicContact CD1-CG 4.42Å; W352-L405 HydrophobicContact CE3-CD2 4.21Å; L401-L405 WeakPolarHBondContact O-CG 3.48Å; L401-L405 PolarHBondContact O-N 2.93Å; R402-L405 PolarHBondContact O-N 2.92Å; L405-Q408 PolarHBondContact O-N 2.9Å; L405-F409 PolarHBondContact O-N 3.35Å
406	K	91.6	Very high	90.9	Very high	6 Å²	6	54.5 Å²	54.5	3%	0.026	25%	0.245	C	C	.	.	H	α-helix	trans	-62.4	-43.7	175.7	-74.8	174.9	169	177.3	0	111.8	L339 S341 F381 I395 D397 R402 L403 F409 M410	L339-K406 HydrophobicContact CB-CG 4.19Å; L339-K406 WeakPolarHBondContact O-CE 3.45Å; S341-K406 PolarHBondContact OG-NZ 2.85Å; F381-K406 HydrophobicContact CE2-CB 4.46Å; F381-K406 HydrophobicContact CE2-CG 4.41Å; I395-K406 HydrophobicContact CG2-CB 3.69Å; I395-K406 HydrophobicContact CG2-CD 4.17Å; D397-K406 HydrophobicContact CB-CD 4.49Å; D397-K406 WeakPolarHBondContact OD2-CE 3.36Å; D397-K406 IonicContact OD2-NZ 3.54Å; D397-K406 PolarHBondContact OD2-NZ 2.97Å; R402-K406 WeakPolarHBondContact O-CB 3.29Å; R402-K406 WeakPolarHBondContact O-CG 3.47Å; R402-K406 PolarHBondContact O-N 3.07Å; L403-K406 PolarHBondContact O-N 3.47Å; K406-F409 WeakPolarHBondContact O-CB 3.29Å; K406-F409 PolarHBondContact O-N 2.94Å; K406-M410 VanDerWaalsContact O-CG 3.28Å; K406-M410 WeakPolarHBondContact O-CG 3.37Å; K406-M410 PolarHBondContact O-N 3.16Å
407	R	91.7	Very high	91.1	Very high	96 Å²	96	48.4 Å²	48.4	36%	0.362	21%	0.214	S	C	.	.	H	α-helix	trans	-64.9	-39.7	175.7	-75.2	179.1	173.6	171.7	0.5	112	L392 I395 L403 R404 M410 R411	L392-R407 HydrophobicContact CD1-CB 3.92Å; L392-R407 HydrophobicContact CD1-CG 3.86Å; L392-R407 HydrophobicContact CG-CG 4.42Å; I395-R407 HydrophobicContact CD1-CG 4.26Å; I395-R407 HydrophobicContact CG2-CG 4.41Å; L403-R407 HydrophobicContact CD1-CG 4.32Å; L403-R407 WeakPolarHBondContact O-CB 3.31Å; L403-R407 WeakPolarHBondContact O-CG 3.48Å; L403-R407 PolarHBondContact O-N 2.72Å; R404-R407 PolarHBondContact O-N 2.94Å; R407-M410 PolarHBondContact O-N 3.22Å; R407-R411 WeakPolarHBondContact O-CG 3.31Å; R407-R411 PolarHBondContact O-N 3.33Å
408	Q	91.6	Very high	91.3	Very high	13 Å²	13	50.7 Å²	50.7	6%	0.061	23%	0.226	C	C	.	.	H	α-helix	trans	-65.5	-41.4	175.3	-173.4	62.4	10.3	0	0	111.8	W352 N354 R404 L405 M410 R411 M412	W352-Q408 HydrophobicContact CD2-CG 3.73Å; W352-Q408 HydrophobicContact CE3-CB 3.96Å; W352-Q408 HydrophobicContact CE3-CG 3.65Å; W352-Q408 HydrophobicContact CG-CG 4.21Å; W352-Q408 HydrophobicContact CZ3-CB 4.17Å; W352-Q408 HydrophobicContact CZ3-CG 4.13Å; N354-Q408 PolarHBondContact O-NE2 3.32Å; R404-Q408 WeakPolarHBondContact O-CB 3.43Å; R404-Q408 PolarHBondContact O-N 3.44Å; L405-Q408 PolarHBondContact O-N 2.9Å; Q408-M410 VanDerWaalsContact C-N 3.28Å; Q408-M410 PolarHBondContact O-N 3.26Å; Q408-R411 PolarHBondContact O-N 3.4Å; Q408-M412 WeakPolarHBondContact O-CG 3.31Å; Q408-M412 PolarHBondContact O-N 3.45Å
409	F	94	Very high	91.4	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-54	-48.7	171.4	-179.1	-79.8	0	0	0	111	L227 L339 W352 A379 F381 A387 L405 K406 R411 M412 Y413	L227-F409 HydrophobicContact CB-CD2 4.48Å; L227-F409 HydrophobicContact CB-CE2 3.95Å; L227-F409 HydrophobicContact CD1-CD1 4.42Å; L227-F409 HydrophobicContact CD1-CD2 3.85Å; L227-F409 HydrophobicContact CD1-CE1 4.27Å; L227-F409 HydrophobicContact CD1-CE2 3.71Å; L227-F409 HydrophobicContact CD1-CG 4.2Å; L227-F409 HydrophobicContact CD1-CZ 3.91Å; L227-F409 HydrophobicContact CG-CD2 4.17Å; L227-F409 HydrophobicContact CG-CE1 4.46Å; L227-F409 HydrophobicContact CG-CE2 3.53Å; L227-F409 HydrophobicContact CG-CZ 3.69Å; L339-F409 HydrophobicContact CD1-CB 3.66Å; L339-F409 HydrophobicContact CD1-CD2 3.87Å; L339-F409 HydrophobicContact CD1-CG 4.02Å; W352-F409 VanDerWaalsContact CH2-CA 3.4Å; W352-F409 HydrophobicContact CH2-CB 3.8Å; W352-F409 HydrophobicContact CH2-CD2 4.05Å; W352-F409 HydrophobicContact CH2-CG 4.36Å; W352-F409 HydrophobicContact CZ3-CB 3.97Å; A379-F409 HydrophobicContact CB-CD2 3.68Å; A379-F409 HydrophobicContact CB-CE2 4.08Å; F381-F409 HydrophobicContact CB-CD1 3.77Å; F381-F409 HydrophobicContact CB-CD2 4.11Å; F381-F409 HydrophobicContact CB-CE1 3.35Å; F381-F409 HydrophobicContact CB-CE2 3.69Å; F381-F409 HydrophobicContact CB-CG 4.16Å; F381-F409 HydrophobicContact CB-CZ 3.31Å; F381-F409 HydrophobicContact CD1-CE1 4.43Å; F381-F409 HydrophobicContact CD2-CB 4.44Å; F381-F409 AromaticContact CD2-CD1 3.56Å; F381-F409 HydrophobicContact CD2-CD1 3.56Å; F381-F409 AromaticContact CD2-CE1 3.99Å; F381-F409 HydrophobicContact CD2-CE1 3.99Å; F381-F409 AromaticContact CD2-CG 3.95Å; F381-F409 HydrophobicContact CD2-CG 3.95Å; F381-F409 HydrophobicContact CE2-CD1 4.33Å; F381-F409 AromaticContact CG-CD1 3.79Å; F381-F409 HydrophobicContact CG-CD1 3.79Å; F381-F409 AromaticContact CG-CE1 3.69Å; F381-F409 HydrophobicContact CG-CE1 3.69Å; F381-F409 HydrophobicContact CG-CG 4.4Å; F381-F409 HydrophobicContact CG-CZ 4.18Å; A387-F409 HydrophobicContact CB-CE1 3.93Å; L405-F409 PolarHBondContact O-N 3.35Å; K406-F409 WeakPolarHBondContact O-CB 3.29Å; K406-F409 PolarHBondContact O-N 2.94Å; F409-R411 PolarHBondContact O-N 2.87Å; F409-M412 PolarHBondContact O-N 3.31Å; F409-Y413 AromaticContact CE1-CD2 3.9Å; F409-Y413 HydrophobicContact CE1-CD2 3.9Å; F409-Y413 HydrophobicContact CE1-CG 4.21Å; F409-Y413 HydrophobicContact CZ-CD2 4.2Å; F409-Y413 VanDerWaalsContact O-CB 3.3Å; F409-Y413 WeakPolarHBondContact O-CB 3.43Å; F409-Y413 PolarHBondContact O-N 3.12Å
410	M	93.2	Very high	91.3	Very high	5 Å²	5	45.7 Å²	45.7	3%	0.025	20%	0.198	C	C	.	.	H	α-helix	trans	-67.5	-36.2	-176.2	-68.5	-71.9	-64.3	0	0	112.4	F381 A387 I390 L392 I395 K406 R407 Q408 Y413 R414	F381-M410 HydrophobicContact CE1-SD 4.38Å; F381-M410 HydrophobicContact CE2-CG 4.21Å; F381-M410 HydrophobicContact CE2-SD 4.19Å; F381-M410 HydrophobicContact CZ-CG 4.46Å; F381-M410 HydrophobicContact CZ-SD 4.02Å; A387-M410 HydrophobicContact CB-CE 4.3Å; A387-M410 HydrophobicContact CB-SD 3.49Å; A387-M410 WeakPolarHBondContact CB-SD 3.35Å; A387-M410 WeakPolarHBondContact O-CE 3.46Å; I390-M410 HydrophobicContact CB-CE 4.09Å; I390-M410 WeakPolarHBondContact O-CE 3.37Å; L392-M410 HydrophobicContact CD1-CB 4.18Å; I395-M410 HydrophobicContact CD1-CB 3.84Å; I395-M410 HydrophobicContact CD1-CE 4.46Å; I395-M410 HydrophobicContact CD1-CG 3.42Å; I395-M410 VanDerWaalsContact CD1-CG 3.42Å; I395-M410 HydrophobicContact CG1-CG 4.47Å; K406-M410 VanDerWaalsContact O-CG 3.28Å; K406-M410 WeakPolarHBondContact O-CG 3.37Å; K406-M410 PolarHBondContact O-N 3.16Å; R407-M410 PolarHBondContact O-N 3.22Å; Q408-M410 VanDerWaalsContact C-N 3.28Å; Q408-M410 PolarHBondContact O-N 3.26Å; M410-Y413 PolarHBondContact O-N 3.17Å; M410-R414 WeakPolarHBondContact O-CB 3.5Å; M410-R414 VanDerWaalsContact O-CG 3.26Å; M410-R414 WeakPolarHBondContact O-CG 3.3Å; M410-R414 PolarHBondContact O-N 3.39Å
411	R	92.6	Very high	91.3	Very high	143 Å²	143	38.8 Å²	38.8	54%	0.54	17%	0.166	S	C	.	.	H	α-helix	trans	-60.7	-48.4	170.9	-71.6	171.9	176.9	177.4	-3.2	111.8	R407 Q408 F409 R414 Y415	R407-R411 WeakPolarHBondContact O-CG 3.31Å; R407-R411 PolarHBondContact O-N 3.33Å; Q408-R411 PolarHBondContact O-N 3.4Å; F409-R411 PolarHBondContact O-N 2.87Å; R411-R414 PolarHBondContact O-N 3.34Å; R411-Y415 WeakPolarHBondContact O-CB 3.3Å; R411-Y415 PolarHBondContact O-N 3.19Å
412	M	92.9	Very high	91.2	Very high	17 Å²	17	37.9 Å²	37.9	8%	0.084	16%	0.163	C	C	.	.	H	α-helix	trans	-66.3	-39.2	178.6	-68.5	-55.5	-53.9	0	0	111.9	L227 W352 N354 Q408 F409 Y415 Y416	L227-M412 HydrophobicContact CD1-CB 3.72Å; W352-M412 HydrophobicContact CZ2-CB 4.22Å; W352-M412 HydrophobicContact CZ2-CG 3.88Å; N354-M412 HydrophobicContact CB-SD 4.22Å; Q408-M412 WeakPolarHBondContact O-CG 3.31Å; Q408-M412 PolarHBondContact O-N 3.45Å; F409-M412 PolarHBondContact O-N 3.31Å; M412-Y415 HydrophobicContact CE-CD1 4.35Å; M412-Y415 WeakPolarHBondContact O-CB 3.35Å; M412-Y415 PolarHBondContact O-N 3.42Å; M412-Y416 HydrophobicContact CB-CE2 4.31Å; M412-Y416 HydrophobicContact CE-CE2 3.78Å; M412-Y416 WeakPolarHBondContact O-CD2 3.43Å; M412-Y416 PolarHBondContact O-N 3.08Å
413	Y	94.6	Very high	90.9	Very high	10 Å²	10	41.1 Å²	41.1	4%	0.039	18%	0.181	C	C	.	.	H	α-helix	trans	-59.8	-49.9	175.9	-174.3	-88.4	0	0	0	110.6	T96 L227 A387 D388 F409 M410 Y415 Y416 Q417	T96-Y413 HydrophobicContact CG2-CD2 3.75Å; T96-Y413 HydrophobicContact CG2-CE1 4.5Å; T96-Y413 HydrophobicContact CG2-CE2 3.66Å; T96-Y413 HydrophobicContact CG2-CG 4.22Å; L227-Y413 HydrophobicContact CD2-CD2 4.25Å; A387-Y413 HydrophobicContact CB-CD1 3.87Å; A387-Y413 HydrophobicContact CB-CD2 3.89Å; A387-Y413 HydrophobicContact CB-CE1 3.93Å; A387-Y413 HydrophobicContact CB-CE2 3.94Å; A387-Y413 HydrophobicContact CB-CG 3.86Å; D388-Y413 HydrophobicContact CB-CE1 4.16Å; F409-Y413 AromaticContact CE1-CD2 3.9Å; F409-Y413 HydrophobicContact CE1-CD2 3.9Å; F409-Y413 HydrophobicContact CE1-CG 4.21Å; F409-Y413 HydrophobicContact CZ-CD2 4.2Å; F409-Y413 VanDerWaalsContact O-CB 3.3Å; F409-Y413 WeakPolarHBondContact O-CB 3.43Å; F409-Y413 PolarHBondContact O-N 3.12Å; M410-Y413 PolarHBondContact O-N 3.17Å; Y413-Y415 VanDerWaalsContact C-N 3.31Å; Y413-Y415 PolarHBondContact O-N 3.28Å; Y413-Y416 PolarHBondContact O-N 2.86Å; Y413-Q417 VanDerWaalsContact O-CB 3.27Å; Y413-Q417 WeakPolarHBondContact O-CB 3.37Å; Y413-Q417 PolarHBondContact O-N 2.82Å
414	R	93.1	Very high	90.4	Very high	53 Å²	53	41.3 Å²	41.3	20%	0.2	18%	0.182	C	C	.	.	H	α-helix	trans	-64.8	-34	176.5	-64	-61.2	179.5	175.3	3.3	112.3	A387 D388 I390 M410 R411 Q417 N418	A387-R414 PolarHBondContact O-NH2 3.04Å; D388-R414 PolarHBondContact O-NH2 3.32Å; I390-R414 PolarHBondContact O-NH2 3.35Å; I390-R414 VanDerWaalsContact O-NH2 3.15Å; M410-R414 WeakPolarHBondContact O-CB 3.5Å; M410-R414 VanDerWaalsContact O-CG 3.26Å; M410-R414 WeakPolarHBondContact O-CG 3.3Å; M410-R414 PolarHBondContact O-N 3.39Å; R411-R414 PolarHBondContact O-N 3.34Å; R414-Q417 VanDerWaalsContact CD-OE1 3.29Å; R414-N418 WeakPolarHBondContact O-CB 3.25Å; R414-N418 VanDerWaalsContact O-CG 3.3Å; R414-N418 PolarHBondContact O-N 3.4Å; R414-N418 PolarHBondContact O-ND2 3.42Å
415	Y	92.8	Very high	89.7	Confident	124 Å²	124	39.9 Å²	39.9	49%	0.486	18%	0.179	S	C	.	.	H	α-helix	trans	-58.8	-54.5	171.7	173.8	-92.9	0	0	0	110.9	R411 M412 Y413 Q417 N418 F419	R411-Y415 WeakPolarHBondContact O-CB 3.3Å; R411-Y415 PolarHBondContact O-N 3.19Å; M412-Y415 HydrophobicContact CE-CD1 4.35Å; M412-Y415 WeakPolarHBondContact O-CB 3.35Å; M412-Y415 PolarHBondContact O-N 3.42Å; Y413-Y415 VanDerWaalsContact C-N 3.31Å; Y413-Y415 PolarHBondContact O-N 3.28Å; Y415-Q417 PolarHBondContact O-N 3.4Å; Y415-N418 PolarHBondContact O-N 3.38Å; Y415-F419 AromaticContact CE1-CD2 3.95Å; Y415-F419 HydrophobicContact CE1-CD2 3.95Å; Y415-F419 HydrophobicContact CE1-CE2 4.43Å; Y415-F419 HydrophobicContact CE2-CD2 4.48Å; Y415-F419 AromaticContact CZ-CD2 3.78Å; Y415-F419 WeakPolarHBondContact O-CB 3.16Å; Y415-F419 PolarHBondContact O-N 3.29Å; Y415-F419 WeakPolarHBondContact OH-CE2 3.41Å
416	Y	93.6	Very high	88.3	Confident	7 Å²	7	43.2 Å²	43.2	3%	0.027	20%	0.203	C	C	.	.	H	α-helix	trans	-66.2	-36.9	179.4	-66.7	-57.6	0	0	0	112.8	K99 L103 Q104 L227 M412 Y413 N418 F419	K99-Y416 WeakPolarHBondContact CD-O 3.44Å; K99-Y416 PolarHBondContact NZ-O 2.73Å; L103-Y416 HydrophobicContact CB-CE1 4.4Å; L103-Y416 HydrophobicContact CD1-CD1 3.63Å; L103-Y416 HydrophobicContact CD1-CE1 3.46Å; L103-Y416 VanDerWaalsContact CD1-CE1 3.46Å; Q104-Y416 PolarHBondContact NE2-OH 3.1Å; L227-Y416 HydrophobicContact CD1-CD2 4.37Å; L227-Y416 HydrophobicContact CD1-CE2 4.46Å; L227-Y416 HydrophobicContact CD2-CD2 3.61Å; L227-Y416 HydrophobicContact CD2-CE2 4.07Å; M412-Y416 HydrophobicContact CB-CE2 4.31Å; M412-Y416 HydrophobicContact CE-CE2 3.78Å; M412-Y416 WeakPolarHBondContact O-CD2 3.43Å; M412-Y416 PolarHBondContact O-N 3.08Å; Y413-Y416 PolarHBondContact O-N 2.86Å; Y416-N418 VanDerWaalsContact C-N 3.33Å; Y416-N418 PolarHBondContact O-N 3.12Å; Y416-F419 WeakPolarHBondContact O-CB 3.26Å; Y416-F419 PolarHBondContact O-N 3.21Å
417	Q	92.6	Very high	86.4	Confident	11 Å²	11	46.3 Å²	46.3	5%	0.051	22%	0.224	C	C	.	.	H	α-helix	trans	-58.6	-47.2	177.2	-167.1	-178.7	13.8	0	0	110.7	T96 K99 Y413 R414 Y415 T537	T96-Q417 HydrophobicContact CG2-CB 4.47Å; K99-Q417 PolarHBondContact NZ-O 2.96Å; K99-Q417 VanDerWaalsContact NZ-O 3.11Å; Y413-Q417 VanDerWaalsContact O-CB 3.27Å; Y413-Q417 WeakPolarHBondContact O-CB 3.37Å; Y413-Q417 PolarHBondContact O-N 2.82Å; R414-Q417 VanDerWaalsContact CD-OE1 3.29Å; Y415-Q417 PolarHBondContact O-N 3.4Å; Q417-T537 HydrophobicContact CG-CG2 4.35Å; Q417-T537 WeakPolarHBondContact CG-OG1 3.49Å
418	N	92.3	Very high	84.1	Confident	60 Å²	60	44.5 Å²	44.5	32%	0.321	24%	0.235	S	C	.	.	H	α-helix	trans	-84.8	-7.7	-178.7	-64.3	-39.1	0	0	0	114.4	R414 Y415 Y416 R534 T537	R414-N418 WeakPolarHBondContact O-CB 3.25Å; R414-N418 VanDerWaalsContact O-CG 3.3Å; R414-N418 PolarHBondContact O-N 3.4Å; R414-N418 PolarHBondContact O-ND2 3.42Å; Y415-N418 PolarHBondContact O-N 3.38Å; Y416-N418 VanDerWaalsContact C-N 3.33Å; Y416-N418 PolarHBondContact O-N 3.12Å; N418-R534 HydrophobicContact CB-CB 4.37Å; N418-R534 WeakPolarHBondContact OD1-CA 3.47Å; N418-T537 PolarHBondContact OD1-OG1 3.14Å
419	F	89.9	Confident	81.6	Confident	28 Å²	28	51.2 Å²	51.2	12%	0.123	26%	0.264	C	S	.	.	S	Bend	trans	-66.7	135.2	-178.1	-169.7	-97.1	0	0	0	111	K99 L103 Y415 Y416 G421 I423 D533	K99-F419 WeakPolarHBondContact CE-O 3.41Å; K99-F419 PolarHBondContact NZ-O 2.82Å; L103-F419 HydrophobicContact CD1-CD1 4.05Å; L103-F419 HydrophobicContact CD1-CD2 4.45Å; L103-F419 HydrophobicContact CD1-CE1 3.92Å; L103-F419 HydrophobicContact CD1-CE2 4.35Å; L103-F419 HydrophobicContact CD1-CG 4.3Å; L103-F419 HydrophobicContact CD1-CZ 4.08Å; L103-F419 HydrophobicContact CD2-CE1 3.83Å; L103-F419 HydrophobicContact CD2-CZ 3.72Å; L103-F419 HydrophobicContact CG-CE1 4.31Å; Y415-F419 AromaticContact CE1-CD2 3.95Å; Y415-F419 HydrophobicContact CE1-CD2 3.95Å; Y415-F419 HydrophobicContact CE1-CE2 4.43Å; Y415-F419 HydrophobicContact CE2-CD2 4.48Å; Y415-F419 AromaticContact CZ-CD2 3.78Å; Y415-F419 WeakPolarHBondContact O-CB 3.16Å; Y415-F419 PolarHBondContact O-N 3.29Å; Y415-F419 WeakPolarHBondContact OH-CE2 3.41Å; Y416-F419 WeakPolarHBondContact O-CB 3.26Å; Y416-F419 PolarHBondContact O-N 3.21Å; F419-G421 PolarHBondContact O-N 3.28Å; F419-I423 HydrophobicContact CE1-CB 3.82Å; F419-I423 HydrophobicContact CE1-CD1 3.8Å; F419-I423 HydrophobicContact CE1-CG1 4.35Å; F419-I423 HydrophobicContact CE1-CG2 4Å; F419-I423 HydrophobicContact CE2-CD1 4.04Å; F419-I423 HydrophobicContact CZ-CB 4.09Å; F419-I423 HydrophobicContact CZ-CD1 3.5Å; F419-I423 VanDerWaalsContact CZ-CD1 3.5Å; F419-I423 HydrophobicContact CZ-CG1 4.38Å; F419-I423 HydrophobicContact CZ-CG2 3.9Å; F419-D533 VanDerWaalsContact O-CG 3.32Å
420	D	88.6	Confident	79.1	Confident	69 Å²	69	54.2 Å²	54.2	37%	0.369	28%	0.28	S	S	.	.			trans	-62.8	117.4	-179.6	-174.1	-16.4	0	0	0	111	T422 I423	D420-T422 PolarHBondContact O-N 3.12Å; D420-T422 WeakPolarHBondContact OD1-CB 3.45Å; D420-T422 WeakPolarHBondContact OD1-CG2 3.45Å; D420-T422 PolarHBondContact OD1-N 3.31Å; D420-T422 PolarHBondContact OD1-OG1 2.9Å; D420-T422 PolarHBondContact OD2-OG1 3.07Å; D420-T422 VanDerWaalsContact OD2-OG1 3.14Å; D420-I423 HydrophobicContact CB-CD1 3.94Å; D420-I423 HydrophobicContact CB-CG1 4.19Å; D420-I423 PolarHBondContact O-N 3.18Å
421	G	86.8	Confident	76.5	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-14.6	-179.8	0	0	0	0	0	114.8	W170 F419 V424 D533	W170-G421 PolarHBondContact NE1-O 3.33Å; F419-G421 PolarHBondContact O-N 3.28Å; G421-V424 WeakPolarHBondContact O-CG2 3.24Å; G421-D533 PolarHBondContact N-OD2 3.33Å
422	T	84.8	Confident	74.2	Confident	33 Å²	33	55.8 Å²	55.8	20%	0.202	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-27.3	178.4	64.3	0	0	0	0	112.3	D420 V424 Q425 D563	D420-T422 PolarHBondContact O-N 3.12Å; D420-T422 WeakPolarHBondContact OD1-CB 3.45Å; D420-T422 WeakPolarHBondContact OD1-CG2 3.45Å; D420-T422 PolarHBondContact OD1-N 3.31Å; D420-T422 PolarHBondContact OD1-OG1 2.9Å; D420-T422 PolarHBondContact OD2-OG1 3.07Å; D420-T422 VanDerWaalsContact OD2-OG1 3.14Å; T422-V424 PolarHBondContact O-N 3.14Å; T422-V424 VanDerWaalsContact O-N 3.13Å; T422-Q425 VanDerWaalsContact O-CB 3.31Å; T422-Q425 WeakPolarHBondContact O-CB 3.41Å; T422-Q425 PolarHBondContact O-N 2.88Å; T422-D563 HydrophobicContact CG2-CB 4.46Å
423	I	82.2	Confident	71.8	Confident	92 Å²	92	56.8 Å²	56.8	47%	0.472	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-31.1	-179.9	-63.8	170.9	0	0	0	111.6	F419 D420	F419-I423 HydrophobicContact CE1-CB 3.82Å; F419-I423 HydrophobicContact CE1-CD1 3.8Å; F419-I423 HydrophobicContact CE1-CG1 4.35Å; F419-I423 HydrophobicContact CE1-CG2 4Å; F419-I423 HydrophobicContact CE2-CD1 4.04Å; F419-I423 HydrophobicContact CZ-CB 4.09Å; F419-I423 HydrophobicContact CZ-CD1 3.5Å; F419-I423 VanDerWaalsContact CZ-CD1 3.5Å; F419-I423 HydrophobicContact CZ-CG1 4.38Å; F419-I423 HydrophobicContact CZ-CG2 3.9Å; D420-I423 HydrophobicContact CB-CD1 3.94Å; D420-I423 HydrophobicContact CB-CG1 4.19Å; D420-I423 PolarHBondContact O-N 3.18Å
424	V	78.9	Confident	69.3	Low	20 Å²	20	57.7 Å²	57.7	12%	0.121	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-6	179.1	-60.4	0	0	0	0	114.1	L102 W170 G421 T422	L102-V424 HydrophobicContact CB-CB 4.41Å; L102-V424 HydrophobicContact CB-CG1 3.99Å; L102-V424 HydrophobicContact CD1-CB 4Å; L102-V424 HydrophobicContact CD1-CG1 4.31Å; L102-V424 HydrophobicContact CD1-CG2 3.93Å; W170-V424 HydrophobicContact CZ2-CG2 3.85Å; G421-V424 WeakPolarHBondContact O-CG2 3.24Å; T422-V424 PolarHBondContact O-N 3.14Å; T422-V424 VanDerWaalsContact O-N 3.13Å
425	Q	75.4	Confident	66.7	Low	38 Å²	38	63.4 Å²	63.4	18%	0.178	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-33.3	177.4	-60.7	178.8	-35.9	0	0	112	W170 T422 P427	W170-Q425 VanDerWaalsContact O-CG 3.25Å; W170-Q425 WeakPolarHBondContact O-CG 3.32Å; W170-Q425 PolarHBondContact O-NE2 2.78Å; T422-Q425 VanDerWaalsContact O-CB 3.31Å; T422-Q425 WeakPolarHBondContact O-CB 3.41Å; T422-Q425 PolarHBondContact O-N 2.88Å; Q425-P427 WeakPolarHBondContact O-CD 3.43Å
426	S	60.9	Low	64.1	Low	82 Å²	82	67.4 Å²	67.4	57%	0.573	37%	0.374	S	S	*	.	S	Bend	trans	-77.9	122.8	178.5	-67.7	0	0	0	0	109.4	G428	S426-G428 PolarHBondContact O-N 3.38Å
427	P	51.3	Low	61.4	Low	71 Å²	71	71.6 Å²	71.6	46%	0.461	39%	0.39	S	S	.	.			trans	-65.4	88.4	161.8	26.8	-28.8	0	0	0	106.2	Q425 K429 L430	Q425-P427 WeakPolarHBondContact O-CD 3.43Å; P427-K429 PolarHBondContact O-N 2.93Å; P427-K429 VanDerWaalsContact O-N 3.13Å; P427-L430 HydrophobicContact CB-CD1 4.08Å
428	G	44.3	Very low	58.5	Low	58 Å²	58	76.8 Å²	76.8	60%	0.598	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.1	124.5	-172.4	0	0	0	0	0	109.5	S426 L430	S426-G428 PolarHBondContact O-N 3.38Å; G428-L430 PolarHBondContact O-N 2.9Å
429	K	38.3	Very low	56	Low	154 Å²	154	77.9 Å²	77.9	67%	0.67	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-4.1	81.8	-173.2	-85	-175.5	172.4	-172.4	0	111.2	N45 P427 S431	N45-K429 PolarHBondContact OD1-NZ 3.4Å; P427-K429 PolarHBondContact O-N 2.93Å; P427-K429 VanDerWaalsContact O-N 3.13Å; K429-S431 VanDerWaalsContact C-N 3.29Å; K429-S431 WeakPolarHBondContact O-CB 3.3Å; K429-S431 PolarHBondContact O-N 2.98Å; K429-S431 PolarHBondContact O-OG 2.59Å
430	L	42.9	Very low	53.4	Low	63 Å²	63	80.4 Å²	80.4	33%	0.33	45%	0.45	S	S	.	.			trans	-56.3	101.9	172.3	-136.9	88.7	0	0	0	103.1	P427 G428 S434	P427-L430 HydrophobicContact CB-CD1 4.08Å; G428-L430 PolarHBondContact O-N 2.9Å; L430-S434 VanDerWaalsContact CB-CB 3.44Å; L430-S434 WeakPolarHBondContact O-CB 3.33Å; L430-S434 PolarHBondContact O-OG 2.8Å
431	S	37	Very low	50.9	Low	97 Å²	97	83 Å²	83	68%	0.678	47%	0.468	S	S	*	.			trans	-137	19.8	-170.3	49.5	0	0	0	0	113.5	K429	K429-S431 VanDerWaalsContact C-N 3.29Å; K429-S431 WeakPolarHBondContact O-CB 3.3Å; K429-S431 PolarHBondContact O-N 2.98Å; K429-S431 PolarHBondContact O-OG 2.59Å
432	S	44.3	Very low	48.4	Very low	84 Å²	84	89.1 Å²	89.1	59%	0.587	50%	0.495	S	S	*	.	S	Bend	trans	-138.3	-21.4	159.8	82.6	0	0	0	0	115.6	E108	E108-S432 PolarHBondContact OE1-OG 3.12Å
433	C	43.7	Very low	45.7	Very low	38 Å²	38	93.4 Å²	93.4	26%	0.257	52%	0.517	S	S	.	.	S	Bend	trans	-105.5	5.7	173.4	-69.6	0	0	0	0	115.2	C144	C144-C433 HydrophobicContact CB-CB 4.23Å; C144-C433 WeakPolarHBondContact CB-SG 3.09Å; C144-C433 WeakPolarHBondContact SG-CB 3.47Å; C144-C433 CovalentContact SG-SG 2.04Å; C144-C433 PolarHBondContact SG-SG 2.74Å
434	S	40.9	Very low	43.2	Very low	29 Å²	29	96.2 Å²	96.2	20%	0.203	52%	0.521	C	S	.	.			trans	-107.3	-9.4	-158.3	60.1	0	0	0	0	116.5	L430 Y436 Y437	L430-S434 VanDerWaalsContact CB-CB 3.44Å; L430-S434 WeakPolarHBondContact O-CB 3.33Å; L430-S434 PolarHBondContact O-OG 2.8Å; S434-Y436 PolarHBondContact O-N 2.71Å; S434-Y437 PolarHBondContact O-N 2.99Å; S434-Y437 VanDerWaalsContact O-N 3.12Å
435	E	40	Very low	40.6	Very low	173 Å²	173	104.6 Å²	104.6	81%	0.808	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.6	-0.7	-179.3	-71.9	-175.3	161.2	0	0	114.6
436	Y	37.6	Very low	38.4	Very low	209 Å²	209	109.7 Å²	109.7	82%	0.82	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.1	21.1	175.6	-64.8	-77.5	0	0	0	113.7	S434 N438	S434-Y436 PolarHBondContact O-N 2.71Å; Y436-N438 PolarHBondContact O-N 3.23Å
437	Y	36.3	Very low	36.7	Very low	94 Å²	94	111.5 Å²	111.5	37%	0.369	59%	0.587	S	S	.	*			trans	-84.1	103.4	175.2	-147.6	-87.3	0	0	0	110.3	I146 S434 P439	I146-Y437 HydrophobicContact CD1-CE2 3.84Å; S434-Y437 PolarHBondContact O-N 2.99Å; S434-Y437 VanDerWaalsContact O-N 3.12Å; Y437-P439 WeakPolarHBondContact O-CD 3.24Å
438	N	32.9	Very low	35.4	Very low	120 Å²	120	117.6 Å²	117.6	64%	0.642	61%	0.609	S	S	*	*			trans	-89.8	110.4	165.9	-140.7	-12.9	0	0	0	107.3	Y436 S440	Y436-N438 PolarHBondContact O-N 3.23Å; N438-S440 PolarHBondContact O-N 2.88Å
439	P	38.2	Very low	34.6	Very low	84 Å²	84	119.8 Å²	119.8	55%	0.545	61%	0.611	S	S	.	*	G	3₁₀ helix	trans	-64.2	-0.7	-172.9	-20	32.1	0	0	0	115.1	Y437 T441	Y437-P439 WeakPolarHBondContact O-CD 3.24Å; P439-T441 PolarHBondContact O-N 3.33Å
440	S	35.5	Very low	34.2	Very low	80 Å²	80	117.4 Å²	117.4	56%	0.559	61%	0.614	S	S	*	*	G	3₁₀ helix	trans	-78.8	-6.5	-166.7	49	0	0	0	0	116	N438	N438-S440 PolarHBondContact O-N 2.88Å
441	T	35.7	Very low	33.5	Very low	124 Å²	124	119.3 Å²	119.3	76%	0.761	63%	0.632	S	S	*	*	G	3₁₀ helix	trans	-107.7	-4.2	-173.4	38.3	0	0	0	0	116	P439	P439-T441 PolarHBondContact O-N 3.33Å
442	F	35.6	Very low	33.6	Very low	129 Å²	129	122.1 Å²	122.1	57%	0.566	63%	0.632	S	S	*	*	S	Bend	trans	-129.1	15	177.3	-115.4	-88.3	0	0	0	114.7	I76 R444	I76-F442 HydrophobicContact CD1-CE2 4.44Å; F442-R444 PolarHBondContact O-N 3.48Å
443	N	27	Very low	33.5	Very low	122 Å²	122	123.8 Å²	123.8	65%	0.652	63%	0.634	S	S	*	*			trans	-64.1	107.6	163.1	-74.9	-22.8	0	0	0	107.5	K445	N443-K445 PolarHBondContact O-N 2.9Å; N443-K445 VanDerWaalsContact O-N 3.16Å
444	R	30.2	Very low	33.8	Very low	151 Å²	151	126.4 Å²	126.4	57%	0.57	65%	0.649	S	S	*	*			trans	-38.6	128.6	147.6	-91.2	178.6	174	179	-4.4	105.2	F442 I446	F442-R444 PolarHBondContact O-N 3.48Å; R444-I446 PolarHBondContact O-N 3.26Å
445	K	24.7	Very low	34.5	Very low	196 Å²	196	126.9 Å²	126.9	85%	0.852	65%	0.649	S	S	*	*			trans	-52.4	89.9	164.2	-78.5	179.6	175.4	178.7	0	106	N443 N447	N443-K445 PolarHBondContact O-N 2.9Å; N443-K445 VanDerWaalsContact O-N 3.16Å; K445-N447 PolarHBondContact O-N 2.8Å
446	I	29.2	Very low	35.5	Very low	145 Å²	145	124 Å²	124	74%	0.744	64%	0.643	S	S	*	*			trans	-56.7	108.2	154.2	-65.7	174.6	0	0	0	100.1	R444 Q448	R444-I446 PolarHBondContact O-N 3.26Å; I446-Q448 PolarHBondContact O-N 2.69Å
447	N	25.3	Very low	37	Very low	121 Å²	121	115.2 Å²	115.2	65%	0.647	61%	0.61	S	S	*	*			trans	-47.6	113.6	172.5	-81.1	-26.6	0	0	0	105.6	K445 T449	K445-N447 PolarHBondContact O-N 2.8Å; N447-T449 HydrophobicContact CB-CG2 4.41Å; N447-T449 WeakPolarHBondContact CB-OG1 3.46Å; N447-T449 PolarHBondContact O-N 3.5Å; N447-T449 PolarHBondContact O-OG1 2.99Å
448	Q	24.9	Very low	38.8	Very low	199 Å²	199	117.2 Å²	117.2	93%	0.93	63%	0.627	S	S	*	*			trans	-62.2	77.3	161.5	-74.7	175.6	-18.9	0	0	105.5	I446	I446-Q448 PolarHBondContact O-N 2.69Å
449	T	27.1	Very low	41.2	Very low	104 Å²	104	113 Å²	113	64%	0.638	61%	0.613	S	S	*	*			trans	-125.9	107.2	171.6	33	0	0	0	0	105.4	N447	N447-T449 HydrophobicContact CB-CG2 4.41Å; N447-T449 WeakPolarHBondContact CB-OG1 3.46Å; N447-T449 PolarHBondContact O-N 3.5Å; N447-T449 PolarHBondContact O-OG1 2.99Å
450	S	28.6	Very low	43.6	Very low	104 Å²	104	109.2 Å²	109.2	73%	0.727	59%	0.588	S	S	*	*			trans	69.2	105.8	-172	70.2	0	0	0	0	115.1	K452	S450-K452 VanDerWaalsContact C-N 3.28Å; S450-K452 PolarHBondContact O-N 3.46Å
451	S	28	Very low	46.1	Very low	103 Å²	103	110.8 Å²	110.8	72%	0.72	59%	0.587	S	S	*	*			trans	-41.3	96.8	144	52.8	0	0	0	0	109.1	N453	S451-N453 PolarHBondContact O-N 2.9Å
452	K	39.9	Very low	48.5	Very low	156 Å²	156	108.3 Å²	108.3	68%	0.678	57%	0.567	S	S	*	*			trans	-62.7	102.9	150.5	-82.5	-169.2	173.5	-168.1	0	103.2	S450 T454 E701	S450-K452 VanDerWaalsContact C-N 3.28Å; S450-K452 PolarHBondContact O-N 3.46Å; K452-T454 VanDerWaalsContact C-N 3.27Å; K452-T454 PolarHBondContact O-N 3.33Å; K452-E701 IonicContact NZ-OE2 2.87Å; K452-E701 PolarHBondContact NZ-OE2 2.89Å
453	N	42.1	Very low	50.9	Low	118 Å²	118	102.7 Å²	102.7	63%	0.631	54%	0.542	S	S	*	.			trans	-48.1	103	165.7	-77.1	-18.3	0	0	0	105.4	S451 I455	S451-N453 PolarHBondContact O-N 2.9Å; N453-I455 HydrophobicContact CB-CG1 4.44Å; N453-I455 WeakPolarHBondContact O-CG1 3.34Å; N453-I455 PolarHBondContact O-N 3.41Å
454	T	50.2	Low	53.8	Low	94 Å²	94	97.9 Å²	97.9	58%	0.577	52%	0.518	S	S	*	.			trans	-64.4	95	168.6	12.5	0	0	0	0	104.7	K452 T456 L468	K452-T454 VanDerWaalsContact C-N 3.27Å; K452-T454 PolarHBondContact O-N 3.33Å; T454-T456 PolarHBondContact O-N 3.24Å; T454-L468 HydrophobicContact CG2-CD2 3.55Å; T454-L468 HydrophobicContact CG2-CG 4.44Å
455	I	55.5	Low	56.5	Low	39 Å²	39	95.9 Å²	95.9	20%	0.2	52%	0.515	C	S	.	.			trans	-73.6	88	175.5	-42.1	-180	0	0	0	105.2	N453 I457 S464 I702 D762	N453-I455 HydrophobicContact CB-CG1 4.44Å; N453-I455 WeakPolarHBondContact O-CG1 3.34Å; N453-I455 PolarHBondContact O-N 3.41Å; I455-I457 HydrophobicContact CB-CG1 4.18Å; I455-I457 HydrophobicContact CG2-CD1 3.82Å; I455-I457 HydrophobicContact CG2-CG1 3.26Å; I455-I457 PolarHBondContact O-N 2.98Å; I455-S464 PolarHBondContact O-OG 3.49Å; I455-S464 VanDerWaalsContact O-OG 3.11Å; I455-I702 HydrophobicContact CD1-CD1 4.28Å; I455-I702 HydrophobicContact CD1-CG2 4.32Å; I455-D762 WeakPolarHBondContact CD1-OD2 3.49Å
456	T	60.5	Low	59.5	Low	111 Å²	111	87.2 Å²	87.2	68%	0.681	48%	0.478	S	S	*	.			trans	-73.2	90	162.1	51.3	0	0	0	0	105.7	T454	T454-T456 PolarHBondContact O-N 3.24Å
457	I	69.7	Low	62.3	Low	25 Å²	25	82.8 Å²	82.8	13%	0.128	46%	0.455	C	S	.	.			trans	-84	113	172.2	-57.3	-178.1	0	0	0	106.2	I455 G459 C460 K758 L759	I455-I457 HydrophobicContact CB-CG1 4.18Å; I455-I457 HydrophobicContact CG2-CD1 3.82Å; I455-I457 HydrophobicContact CG2-CG1 3.26Å; I455-I457 PolarHBondContact O-N 2.98Å; I457-G459 PolarHBondContact O-N 3.5Å; I457-C460 HydrophobicContact CB-CB 3.9Å; I457-C460 HydrophobicContact CG2-CB 4.14Å; I457-C460 VanDerWaalsContact CG2-SG 3.51Å; I457-C460 WeakPolarHBondContact O-CB 3.21Å; I457-C460 PolarHBondContact O-N 2.92Å; I457-K758 HydrophobicContact CD1-CB 4.28Å; I457-K758 HydrophobicContact CG2-CB 3.9Å; I457-K758 HydrophobicContact CG2-CD 3.27Å; I457-K758 HydrophobicContact CG2-CG 4.22Å; I457-L759 HydrophobicContact CD1-CD2 3.33Å; I457-L759 HydrophobicContact CD1-CG 3.6Å
458	D	75.1	Confident	65.2	Low	136 Å²	136	82.8 Å²	82.8	73%	0.727	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	127.3	176.4	-72.6	-10.5	0	0	0	111.1	K758	D458-K758 PolarHBondContact O-NZ 3.02Å
459	G	82.1	Confident	68.1	Low	32 Å²	32	76.8 Å²	76.8	33%	0.33	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.1	12.5	-177.8	0	0	0	0	0	115.1	I457 E461 V751 C755	I457-G459 PolarHBondContact O-N 3.5Å; G459-E461 VanDerWaalsContact CA-OE1 3.28Å; G459-E461 WeakPolarHBondContact CA-OE1 3.48Å; G459-E461 WeakPolarHBondContact CA-OE2 3.47Å; G459-E461 PolarHBondContact N-OE1 2.82Å; G459-V751 WeakPolarHBondContact O-CG1 3.36Å; G459-C755 PolarHBondContact O-SG 3.07Å
460	C	88.7	Confident	71.1	Confident	5 Å²	5	76 Å²	76	3%	0.034	42%	0.421	C	S	.	.			trans	-126	35.4	178.4	-56	0	0	0	0	112	I457 E462 F463 S464 C755	I457-C460 HydrophobicContact CB-CB 3.9Å; I457-C460 HydrophobicContact CG2-CB 4.14Å; I457-C460 VanDerWaalsContact CG2-SG 3.51Å; I457-C460 WeakPolarHBondContact O-CB 3.21Å; I457-C460 PolarHBondContact O-N 2.92Å; C460-E462 VanDerWaalsContact C-N 3.31Å; C460-E462 PolarHBondContact O-N 3.29Å; C460-F463 HydrophobicContact CB-CB 4.43Å; C460-F463 WeakPolarHBondContact O-CB 3.27Å; C460-F463 PolarHBondContact O-N 3.3Å; C460-S464 PolarHBondContact O-N 3.26Å; C460-C755 WeakPolarHBondContact CA-SG 3.24Å; C460-C755 HydrophobicContact CB-CB 3.87Å; C460-C755 WeakPolarHBondContact CB-SG 3.35Å; C460-C755 WeakPolarHBondContact SG-CA 3.41Å; C460-C755 WeakPolarHBondContact SG-CB 3.43Å; C460-C755 CovalentContact SG-SG 2.02Å; C460-C755 PolarHBondContact SG-SG 3.17Å
461	E	87.8	Confident	74.2	Confident	113 Å²	113	71.6 Å²	71.6	53%	0.528	39%	0.389	S	S	.	.	H	α-helix	trans	-58.1	-42.1	-171.3	-62.1	73.5	-158.7	0	0	111.6	G459 F463 S464 E465	G459-E461 VanDerWaalsContact CA-OE1 3.28Å; G459-E461 WeakPolarHBondContact CA-OE1 3.48Å; G459-E461 WeakPolarHBondContact CA-OE2 3.47Å; G459-E461 PolarHBondContact N-OE1 2.82Å; E461-F463 VanDerWaalsContact C-N 3.27Å; E461-F463 PolarHBondContact O-N 3.01Å; E461-S464 PolarHBondContact O-N 3.14Å; E461-S464 VanDerWaalsContact O-N 3.15Å; E461-E465 WeakPolarHBondContact O-CG 3.3Å; E461-E465 PolarHBondContact O-N 3.49Å
462	E	86.1	Confident	77.4	Confident	72 Å²	72	66.9 Å²	66.9	34%	0.336	36%	0.355	S	S	.	.	H	α-helix	trans	-61.4	-34.7	177.6	-58.1	-159.6	126	0	0	112.9	C460 D466 K565 F566 R745	C460-E462 VanDerWaalsContact C-N 3.31Å; C460-E462 PolarHBondContact O-N 3.29Å; E462-D466 PolarHBondContact O-N 3.31Å; E462-K565 IonicContact OE1-NZ 2.63Å; E462-K565 PolarHBondContact OE1-NZ 3.39Å; E462-F566 HydrophobicContact CB-CE2 3.78Å; E462-F566 HydrophobicContact CB-CZ 4.14Å; E462-R745 IonicContact OE2-CZ 3.45Å; E462-R745 IonicContact OE2-NH2 3.55Å; E462-R745 PolarHBondContact OE2-NH2 3.34Å
463	F	86.8	Confident	80.2	Confident	10 Å²	10	60.1 Å²	60.1	4%	0.044	33%	0.326	C	S	.	.	H	α-helix	trans	-69.7	-47.1	175.2	-80.5	-108.4	0	0	0	109.9	C460 E461 E465 D466 L467 F566 I704 Y752 C755 I756 L759	C460-F463 HydrophobicContact CB-CB 4.43Å; C460-F463 WeakPolarHBondContact O-CB 3.27Å; C460-F463 PolarHBondContact O-N 3.3Å; E461-F463 VanDerWaalsContact C-N 3.27Å; E461-F463 PolarHBondContact O-N 3.01Å; F463-E465 VanDerWaalsContact C-N 3.31Å; F463-E465 PolarHBondContact O-N 2.89Å; F463-D466 PolarHBondContact O-N 3.48Å; F463-L467 WeakPolarHBondContact O-CB 3.33Å; F463-L467 WeakPolarHBondContact O-CG 3.38Å; F463-L467 PolarHBondContact O-N 3.29Å; F463-F566 HydrophobicContact CD2-CE1 4.33Å; F463-F566 AromaticContact CD2-CE2 3.98Å; F463-F566 HydrophobicContact CD2-CE2 3.98Å; F463-F566 AromaticContact CD2-CZ 3.68Å; F463-F566 HydrophobicContact CD2-CZ 3.68Å; F463-F566 AromaticContact CE2-CE1 3.66Å; F463-F566 HydrophobicContact CE2-CE1 3.66Å; F463-F566 HydrophobicContact CE2-CE2 4.15Å; F463-F566 AromaticContact CE2-CZ 3.42Å; F463-F566 HydrophobicContact CE2-CZ 3.42Å; F463-F566 VanDerWaalsContact CE2-CZ 3.42Å; F463-F566 HydrophobicContact CG-CE2 4.36Å; F463-F566 HydrophobicContact CG-CZ 4.41Å; F463-F566 HydrophobicContact CZ-CD1 4.31Å; F463-F566 AromaticContact CZ-CE1 3.76Å; F463-F566 HydrophobicContact CZ-CE1 3.76Å; F463-F566 AromaticContact CZ-CZ 3.96Å; F463-F566 HydrophobicContact CZ-CZ 3.96Å; F463-I704 HydrophobicContact CB-CD1 4.29Å; F463-I704 HydrophobicContact CD1-CD1 3.62Å; F463-I704 HydrophobicContact CD1-CG1 3.45Å; F463-I704 VanDerWaalsContact CD1-CG1 3.45Å; F463-I704 HydrophobicContact CE1-CD1 4.21Å; F463-I704 HydrophobicContact CE1-CG1 3.66Å; F463-I704 HydrophobicContact CG-CD1 4.14Å; F463-I704 HydrophobicContact CG-CG1 4.43Å; F463-Y752 HydrophobicContact CE1-CE1 4.21Å; F463-Y752 HydrophobicContact CE2-CD1 4.41Å; F463-Y752 HydrophobicContact CE2-CD2 4.22Å; F463-Y752 HydrophobicContact CE2-CE2 4.49Å; F463-Y752 HydrophobicContact CE2-CG 4.15Å; F463-Y752 AromaticContact CZ-CD1 3.71Å; F463-Y752 HydrophobicContact CZ-CD1 3.71Å; F463-Y752 AromaticContact CZ-CD2 3.92Å; F463-Y752 HydrophobicContact CZ-CD2 3.92Å; F463-Y752 AromaticContact CZ-CE1 3.56Å; F463-Y752 HydrophobicContact CZ-CE1 3.56Å; F463-Y752 AromaticContact CZ-CE2 3.84Å; F463-Y752 HydrophobicContact CZ-CE2 3.84Å; F463-Y752 AromaticContact CZ-CG 3.84Å; F463-Y752 HydrophobicContact CZ-CG 3.84Å; F463-Y752 AromaticContact CZ-CZ 3.61Å; F463-C755 HydrophobicContact CD2-CB 4.28Å; F463-C755 HydrophobicContact CE2-CB 4.21Å; F463-I756 HydrophobicContact CE1-CD1 4.13Å; F463-L759 HydrophobicContact CD1-CD1 4.24Å
464	S	86.8	Confident	82.8	Confident	22 Å²	22	54.5 Å²	54.5	15%	0.154	30%	0.296	C	S	.	.	H	α-helix	trans	-60.5	-39.6	179.3	-63.6	0	0	0	0	112.1	I455 C460 E461 L467 L468	I455-S464 PolarHBondContact O-OG 3.49Å; I455-S464 VanDerWaalsContact O-OG 3.11Å; C460-S464 PolarHBondContact O-N 3.26Å; E461-S464 PolarHBondContact O-N 3.14Å; E461-S464 VanDerWaalsContact O-N 3.15Å; S464-L467 PolarHBondContact O-N 3.07Å; S464-L468 WeakPolarHBondContact O-CG 3.36Å; S464-L468 PolarHBondContact O-N 3.4Å
465	E	87.3	Confident	85.1	Confident	109 Å²	109	50 Å²	50	51%	0.509	27%	0.269	S	S	.	.	H	α-helix	trans	-59.9	-51	174.3	-76	177.6	178.9	0	0	111.8	E461 F463 L467 L468	E461-E465 WeakPolarHBondContact O-CG 3.3Å; E461-E465 PolarHBondContact O-N 3.49Å; F463-E465 VanDerWaalsContact C-N 3.31Å; F463-E465 PolarHBondContact O-N 2.89Å; E465-L467 PolarHBondContact O-N 2.94Å; E465-L468 PolarHBondContact O-N 2.85Å
466	D	88.7	Confident	87	Confident	13 Å²	13	48.7 Å²	48.7	7%	0.07	26%	0.261	C	S	.	.	H	α-helix	trans	-67.7	-34.3	-179.8	-94.4	16.6	0	0	0	112.4	E462 F463 L468 K469 G564 K565 F566 I704	E462-D466 PolarHBondContact O-N 3.31Å; F463-D466 PolarHBondContact O-N 3.48Å; D466-L468 PolarHBondContact O-N 3.5Å; D466-K469 WeakPolarHBondContact O-CB 3.3Å; D466-K469 PolarHBondContact O-N 3.11Å; D466-K469 VanDerWaalsContact O-N 3.14Å; D466-G564 WeakPolarHBondContact OD1-CA 3.2Å; D466-K565 PolarHBondContact OD1-N 3.16Å; D466-K565 WeakPolarHBondContact OD2-CA 3.44Å; D466-K565 PolarHBondContact OD2-N 3.47Å; D466-F566 HydrophobicContact CB-CD2 4.2Å; D466-F566 WeakPolarHBondContact OD2-CD2 3.42Å; D466-F566 PolarHBondContact OD2-N 3.42Å; D466-I704 HydrophobicContact CB-CD1 3.97Å
467	L	87.4	Confident	88.7	Confident	52 Å²	52	44 Å²	44	27%	0.272	23%	0.231	S	C	.	.	H	α-helix	trans	-66.8	-22.3	176.4	-72.4	174	0	0	0	113.6	F463 S464 E465 E701 I704	F463-L467 WeakPolarHBondContact O-CB 3.33Å; F463-L467 WeakPolarHBondContact O-CG 3.38Å; F463-L467 PolarHBondContact O-N 3.29Å; S464-L467 PolarHBondContact O-N 3.07Å; E465-L467 PolarHBondContact O-N 2.94Å; L467-E701 WeakPolarHBondContact CD2-O 3.5Å; L467-I704 HydrophobicContact CD2-CD1 4.42Å; L467-I704 HydrophobicContact CD2-CG2 3.76Å; L467-I704 HydrophobicContact CG-CD1 4.32Å
468	L	85.7	Confident	89.9	Confident	121 Å²	121	44.5 Å²	44.5	63%	0.634	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-14.9	175.5	-74.2	172.1	0	0	0	112.9	T454 S464 E465 D466	T454-L468 HydrophobicContact CG2-CD2 3.55Å; T454-L468 HydrophobicContact CG2-CG 4.44Å; S464-L468 WeakPolarHBondContact O-CG 3.36Å; S464-L468 PolarHBondContact O-N 3.4Å; E465-L468 PolarHBondContact O-N 2.85Å; D466-L468 PolarHBondContact O-N 3.5Å
469	K	86.3	Confident	90.7	Very high	73 Å²	73	44.3 Å²	44.3	32%	0.317	23%	0.225	S	C	.	.			trans	-71.1	143.4	-179.1	-65.4	-174.8	171.1	-151.5	0	111.5	D466 D563	D466-K469 WeakPolarHBondContact O-CB 3.3Å; D466-K469 PolarHBondContact O-N 3.11Å; D466-K469 VanDerWaalsContact O-N 3.14Å; K469-D563 VanDerWaalsContact CD-O 3.3Å; K469-D563 WeakPolarHBondContact CD-O 3.49Å; K469-D563 IonicContact NZ-OD1 3.82Å; K469-D563 PolarHBondContact NZ-OD1 3.43Å
470	T	90	Very high	91.2	Very high	88 Å²	88	43.4 Å²	43.4	54%	0.54	21%	0.211	S	C	.	.			trans	-108.1	102	171.3	-61.7	0	0	0	0	108.1	R472	T470-R472 PolarHBondContact O-N 3.15Å
471	H	93.6	Very high	91.2	Very high	12 Å²	12	45.6 Å²	45.6	6%	0.056	22%	0.223	C	C	.	.			trans	-63.5	135.6	176.4	-63.6	-81.3	0	0	0	111	T169 I473 Y530 V560 Y561 D563	T169-H471 WeakPolarHBondContact CB-O 3.31Å; H471-I473 WeakPolarHBondContact O-CG1 3.39Å; H471-Y530 AromaticContact CE1-CE2 3.96Å; H471-Y530 AromaticContact ND1-CE2 4Å; H471-V560 HydrophobicContact CB-CG1 3.6Å; H471-Y561 PolarHBondContact ND1-O 3.38Å; H471-D563 PolarHBondContact CE1-O 3.04Å; H471-D563 PolarHBondContact ND1-O 3.02Å
472	R	95.6	Very high	91	Very high	3 Å²	3	41.7 Å²	41.7	1%	0.011	20%	0.204	C	C	.	.			trans	-67	132.2	166.4	-175.5	174.8	63.2	132.7	0.6	109.2	L166 W170 T470 D533 Y561	L166-R472 HydrophobicContact CD1-CG 3.54Å; W170-R472 HydrophobicContact CB-CG 3.99Å; W170-R472 HydrophobicContact CG-CG 4.1Å; T470-R472 PolarHBondContact O-N 3.15Å; R472-D533 IonicContact CZ-OD1 2.92Å; R472-D533 IonicContact NH1-OD1 2.84Å; R472-D533 IonicContact NH2-OD1 3.04Å; R472-D533 PolarHBondContact NH2-OD1 3.01Å; R472-D533 IonicContact NH2-OD2 3.3Å; R472-D533 PolarHBondContact NH2-OD2 3.41Å; R472-Y561 HydrophobicContact CB-CD2 3.87Å; R472-Y561 HydrophobicContact CG-CD2 3.73Å; R472-Y561 HydrophobicContact CG-CE2 4.15Å; R472-Y561 VanDerWaalsContact NE-CD2 3.29Å; R472-Y561 VanDerWaalsContact NH2-CE1 3.28Å; R472-Y561 VanDerWaalsContact NH2-CG 3.32Å; R472-Y561 WeakPolarHBondContact O-CD2 3.49Å; R472-Y561 PolarHBondContact O-N 3.45Å
473	I	97.4	Very high	90.3	Very high	15 Å²	15	41 Å²	41	8%	0.077	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	129.1	-174.6	-64	156.3	0	0	0	109.9	T165 L166 T169 H471 P475 I559 V560 I575	T165-I473 HydrophobicContact CG2-CB 4Å; T165-I473 HydrophobicContact CG2-CG2 3.88Å; L166-I473 WeakPolarHBondContact CA-O 3.4Å; L166-I473 PolarHBondContact N-O 3.26Å; T169-I473 HydrophobicContact CG2-CB 4.38Å; T169-I473 HydrophobicContact CG2-CD1 3.99Å; T169-I473 PolarHBondContact OG1-N 3.27Å; H471-I473 WeakPolarHBondContact O-CG1 3.39Å; I473-P475 HydrophobicContact CG2-CG 4Å; I473-P475 WeakPolarHBondContact O-CD 3.39Å; I473-I559 CarbonylContact C-O 3.53Å; I473-I559 VanDerWaalsContact CA-O 3.3Å; I473-I559 WeakPolarHBondContact CA-O 3.24Å; I473-V560 HydrophobicContact CG1-CG1 4.33Å; I473-V560 HydrophobicContact CG1-CG2 4.19Å; I473-I575 HydrophobicContact CD1-CD1 3.57Å; I473-I575 HydrophobicContact CD1-CG1 4.15Å; I473-I575 HydrophobicContact CG1-CD1 4.42Å; I473-I575 HydrophobicContact CG2-CD1 4.31Å; I473-I575 HydrophobicContact CG2-CG2 4.32Å
474	H	97.5	Very high	88.9	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	87.8	175.8	-162.8	153.5	0	0	0	109.8	S162 L166 Y477 I559 Y561	S162-H474 PolarHBondContact OG-CD2 2.95Å; S162-H474 PolarHBondContact OG-NE2 2.61Å; L166-H474 HydrophobicContact CD1-CB 4.07Å; H474-Y477 HydrophobicContact CB-CD2 4.11Å; H474-Y477 AromaticContact CD2-CD2 3.77Å; H474-Y477 AromaticContact CE1-CD2 3.63Å; H474-Y477 AromaticContact CE1-CE2 3.83Å; H474-Y477 AromaticContact CG-CD2 3.56Å; H474-Y477 AromaticContact ND1-CD2 3.47Å; H474-Y477 WeakPolarHBondContact ND1-CD2 3.45Å; H474-Y477 AromaticContact ND1-CE2 3.64Å; H474-Y477 AromaticContact NE2-CD2 3.81Å; H474-I559 HydrophobicContact CB-CB 4.25Å; H474-I559 PolarHBondContact N-O 3.24Å; H474-I559 PolarHBondContact O-N 3.43Å; H474-Y561 HydrophobicContact CB-CE2 3.89Å
475	P	97.6	Very high	87.4	Confident	0 Å²	0	44 Å²	44	0%	0	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	150.8	177.7	-15.1	30.3	0	0	0	111.6	S162 T165 I473 Y477 H558 Y579	S162-P475 VanDerWaalsContact CB-O 3.24Å; S162-P475 WeakPolarHBondContact CB-O 3.12Å; S162-P475 WeakPolarHBondContact O-CD 3.41Å; S162-P475 PolarHBondContact OG-O 2.96Å; T165-P475 HydrophobicContact CG2-CG 3.7Å; I473-P475 HydrophobicContact CG2-CG 4Å; I473-P475 WeakPolarHBondContact O-CD 3.39Å; P475-Y477 VanDerWaalsContact C-N 3.26Å; P475-Y477 PolarHBondContact O-N 3.24Å; P475-H558 WeakPolarHBondContact CA-ND1 3.3Å; P475-Y579 HydrophobicContact CB-CD1 3.84Å; P475-Y579 HydrophobicContact CB-CD2 3.99Å; P475-Y579 HydrophobicContact CB-CE1 3.71Å; P475-Y579 HydrophobicContact CB-CE2 3.92Å; P475-Y579 HydrophobicContact CB-CG 4Å; P475-Y579 HydrophobicContact CG-CD1 4.26Å; P475-Y579 HydrophobicContact CG-CD2 4.15Å; P475-Y579 HydrophobicContact CG-CE1 3.64Å; P475-Y579 HydrophobicContact CG-CE2 3.56Å
476	Y	96.4	Very high	85.6	Confident	11 Å²	11	43.4 Å²	43.4	4%	0.043	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	46.1	176.5	-54.1	-76.1	0	0	0	112.3	Y478 Y480 F482 Y557 H558 Y579	Y476-Y478 CarbonylContact C-O 3.58Å; Y476-Y478 PolarHBondContact O-N 3.3Å; Y476-Y480 HydrophobicContact CD1-CD1 4.03Å; Y476-Y480 HydrophobicContact CD1-CD2 4.14Å; Y476-Y480 AromaticContact CD1-CG 3.66Å; Y476-Y480 HydrophobicContact CD1-CG 3.66Å; Y476-Y480 AromaticContact CE1-CD1 3.71Å; Y476-Y480 HydrophobicContact CE1-CD1 3.71Å; Y476-Y480 HydrophobicContact CE1-CD2 4.11Å; Y476-Y480 HydrophobicContact CE1-CE1 4.1Å; Y476-Y480 HydrophobicContact CE1-CE2 4.43Å; Y476-Y480 AromaticContact CE1-CG 3.72Å; Y476-Y480 HydrophobicContact CE1-CG 3.72Å; Y476-F482 HydrophobicContact CD1-CE1 4.38Å; Y476-F482 AromaticContact CD1-CZ 3.78Å; Y476-F482 HydrophobicContact CD1-CZ 3.78Å; Y476-F482 AromaticContact CD2-CZ 3.82Å; Y476-F482 HydrophobicContact CD2-CZ 3.82Å; Y476-F482 AromaticContact CE1-CE1 3.69Å; Y476-F482 HydrophobicContact CE1-CE1 3.69Å; Y476-F482 AromaticContact CE1-CZ 3.55Å; Y476-F482 HydrophobicContact CE1-CZ 3.55Å; Y476-F482 AromaticContact CE2-CE1 3.94Å; Y476-F482 HydrophobicContact CE2-CE1 3.94Å; Y476-F482 AromaticContact CE2-CZ 3.62Å; Y476-F482 HydrophobicContact CE2-CZ 3.62Å; Y476-F482 AromaticContact CG-CZ 3.89Å; Y476-F482 HydrophobicContact CG-CZ 3.89Å; Y476-F482 AromaticContact CZ-CE1 3.43Å; Y476-F482 VanDerWaalsContact CZ-CE1 3.43Å; Y476-F482 AromaticContact CZ-CZ 3.46Å; Y476-F482 VanDerWaalsContact CZ-CZ 3.46Å; Y476-F482 WeakPolarHBondContact OH-CE1 3.37Å; Y476-Y557 CarbonylContact C-O 3.59Å; Y476-Y557 VanDerWaalsContact CA-O 3.31Å; Y476-Y557 WeakPolarHBondContact CA-O 3.2Å; Y476-Y557 PolarHBondContact N-O 3.32Å; Y476-H558 AromaticContact CD1-CE1 3.71Å; Y476-H558 AromaticContact CE1-CE1 3.64Å; Y476-H558 AromaticContact CG-CE1 3.98Å; Y476-H558 AromaticContact CZ-CE1 3.8Å; Y476-H558 PolarHBondContact N-ND1 3.06Å; Y476-Y579 HydrophobicContact CD2-CD1 4.45Å; Y476-Y579 AromaticContact CE2-CD1 3.69Å; Y476-Y579 HydrophobicContact CE2-CD1 3.69Å; Y476-Y579 HydrophobicContact CE2-CG 4.27Å; Y476-Y579 PolarHBondContact OH-O 3.31Å
477	Y	96.1	Very high	83.3	Confident	11 Å²	11	48 Å²	48	4%	0.043	25%	0.248	C	C	.	.			trans	-61.3	-24.5	-178.3	-169.9	-103.7	0	0	0	112.6	R92 H474 P475 A536 I540 Y557 I559	R92-Y477 VanDerWaalsContact CD-CZ 3.44Å; R92-Y477 WeakPolarHBondContact CD-O 3.41Å; R92-Y477 HydrophobicContact CG-CD2 4.12Å; R92-Y477 HydrophobicContact CG-CE1 4.44Å; R92-Y477 HydrophobicContact CG-CE2 3.79Å; R92-Y477 PolarHBondContact NH1-O 3.25Å; H474-Y477 HydrophobicContact CB-CD2 4.11Å; H474-Y477 AromaticContact CD2-CD2 3.77Å; H474-Y477 AromaticContact CE1-CD2 3.63Å; H474-Y477 AromaticContact CE1-CE2 3.83Å; H474-Y477 AromaticContact CG-CD2 3.56Å; H474-Y477 AromaticContact ND1-CD2 3.47Å; H474-Y477 WeakPolarHBondContact ND1-CD2 3.45Å; H474-Y477 AromaticContact ND1-CE2 3.64Å; H474-Y477 AromaticContact NE2-CD2 3.81Å; P475-Y477 VanDerWaalsContact C-N 3.26Å; P475-Y477 PolarHBondContact O-N 3.24Å; Y477-A536 HydrophobicContact CE1-CB 4.18Å; Y477-A536 VanDerWaalsContact CE1-O 3.31Å; Y477-A536 WeakPolarHBondContact CE1-O 3.42Å; Y477-I540 HydrophobicContact CD1-CD1 3.64Å; Y477-I540 HydrophobicContact CD1-CG1 4.24Å; Y477-I540 HydrophobicContact CE1-CD1 3.6Å; Y477-I540 HydrophobicContact CE1-CG1 3.66Å; Y477-Y557 PolarHBondContact N-O 3.47Å; Y477-I559 HydrophobicContact CD1-CD1 4.37Å; Y477-I559 HydrophobicContact CD1-CG1 3.98Å; Y477-I559 HydrophobicContact CD2-CG1 3.81Å; Y477-I559 HydrophobicContact CE2-CG1 4.42Å; Y477-I559 HydrophobicContact CG-CD1 4.34Å; Y477-I559 HydrophobicContact CG-CG1 3.57Å
478	Y	94.7	Very high	81.2	Confident	36 Å²	36	55.5 Å²	55.5	14%	0.141	28%	0.278	C	S	.	.	S	Bend	trans	-119.2	167.6	171.4	-162.9	-110.5	0	0	0	111.5	Y476 Y480 I540 I543 T544 Y557	Y476-Y478 CarbonylContact C-O 3.58Å; Y476-Y478 PolarHBondContact O-N 3.3Å; Y478-Y480 PolarHBondContact O-N 3.19Å; Y478-I540 HydrophobicContact CD2-CD1 3.71Å; Y478-I540 HydrophobicContact CE2-CD1 4.48Å; Y478-I540 HydrophobicContact CG-CD1 4.45Å; Y478-I543 HydrophobicContact CD1-CG2 3.92Å; Y478-I543 HydrophobicContact CE1-CG2 3.58Å; Y478-I543 HydrophobicContact CE2-CG2 4.39Å; Y478-I543 HydrophobicContact CG-CD1 4.42Å; Y478-I543 HydrophobicContact CG-CG2 4.45Å; Y478-T544 HydrophobicContact CE2-CG2 4.33Å; Y478-Y557 HydrophobicContact CD1-CE2 4.31Å
479	K	91.6	Very high	79.1	Confident	133 Å²	133	54.1 Å²	54.1	58%	0.578	27%	0.271	S	S	*	.			trans	-55.1	123.1	-175.1	-179.2	-177.5	178	-175.6	0	111.2	T553	K479-T553 HydrophobicContact CD-CG2 3.94Å; K479-T553 HydrophobicContact CG-CG2 4.22Å
480	Y	92.9	Very high	77.1	Confident	12 Å²	12	59.7 Å²	59.7	5%	0.047	30%	0.296	C	S	.	.			trans	-125.2	135.3	173.8	-169.7	-93.3	0	0	0	111.1	H158 Y476 Y478 F482 F485 V581	H158-Y480 PolarHBondContact CD2-O 2.91Å; H158-Y480 PolarHBondContact NE2-N 3.29Å; Y476-Y480 HydrophobicContact CD1-CD1 4.03Å; Y476-Y480 HydrophobicContact CD1-CD2 4.14Å; Y476-Y480 AromaticContact CD1-CG 3.66Å; Y476-Y480 HydrophobicContact CD1-CG 3.66Å; Y476-Y480 AromaticContact CE1-CD1 3.71Å; Y476-Y480 HydrophobicContact CE1-CD1 3.71Å; Y476-Y480 HydrophobicContact CE1-CD2 4.11Å; Y476-Y480 HydrophobicContact CE1-CE1 4.1Å; Y476-Y480 HydrophobicContact CE1-CE2 4.43Å; Y476-Y480 AromaticContact CE1-CG 3.72Å; Y476-Y480 HydrophobicContact CE1-CG 3.72Å; Y478-Y480 PolarHBondContact O-N 3.19Å; Y480-F482 AromaticContact CD1-CD1 3.77Å; Y480-F482 HydrophobicContact CD1-CD1 3.77Å; Y480-F482 HydrophobicContact CD1-CD2 4.09Å; Y480-F482 AromaticContact CD1-CE1 3.69Å; Y480-F482 HydrophobicContact CD1-CE1 3.69Å; Y480-F482 HydrophobicContact CD1-CE2 4.01Å; Y480-F482 AromaticContact CD1-CG 3.97Å; Y480-F482 HydrophobicContact CD1-CG 3.97Å; Y480-F482 AromaticContact CD1-CZ 3.82Å; Y480-F482 HydrophobicContact CD1-CZ 3.82Å; Y480-F482 AromaticContact CE1-CD1 3.86Å; Y480-F482 HydrophobicContact CE1-CD1 3.86Å; Y480-F482 AromaticContact CE1-CE1 3.97Å; Y480-F482 HydrophobicContact CE1-CE1 3.97Å; Y480-F482 HydrophobicContact CE1-CG 4.34Å; Y480-F485 HydrophobicContact CE1-CD2 4.35Å; Y480-F485 HydrophobicContact CE1-CE2 4.13Å; Y480-F485 AromaticContact CZ-CE2 3.93Å; Y480-F485 VanDerWaalsContact OH-CE2 3.25Å; Y480-F485 WeakPolarHBondContact OH-CE2 3.45Å; Y480-V581 HydrophobicContact CE1-CG1 3.82Å; Y480-V581 WeakPolarHBondContact OH-CG2 3.16Å
481	N	89.7	Confident	74.8	Confident	52 Å²	52	64 Å²	64	28%	0.278	31%	0.309	S	S	.	.			trans	-94.3	104.9	176.9	-171.1	1.5	0	0	0	110.6	S483 T484 T553	N481-S483 PolarHBondContact ND2-OG 3.14Å; N481-S483 WeakPolarHBondContact OD1-CB 3.28Å; N481-S483 PolarHBondContact OD1-N 3Å; N481-S483 PolarHBondContact OD1-OG 2.52Å; N481-T484 PolarHBondContact O-OG1 3.46Å; N481-T484 VanDerWaalsContact O-OG1 3.11Å; N481-T553 PolarHBondContact N-O 3.32Å
482	F	83.3	Confident	72.2	Confident	30 Å²	30	69.9 Å²	69.9	13%	0.132	34%	0.342	C	S	.	.			trans	-76.5	-26.9	175.2	-67.1	-78.5	0	0	0	113.2	Y157 H158 Y476 Y480 T484 F485 T486 V581	Y157-F482 HydrophobicContact CD1-CD2 4.43Å; Y157-F482 HydrophobicContact CE1-CD1 4.35Å; Y157-F482 HydrophobicContact CE1-CG 4.31Å; H158-F482 HydrophobicContact CB-CE2 4.21Å; H158-F482 AromaticContact CD2-CD2 3.97Å; H158-F482 AromaticContact CD2-CE2 3.47Å; H158-F482 VanDerWaalsContact CD2-CE2 3.47Å; H158-F482 WeakPolarHBondContact CD2-CE2 3.32Å; H158-F482 AromaticContact CG-CE2 3.94Å; Y476-F482 HydrophobicContact CD1-CE1 4.38Å; Y476-F482 AromaticContact CD1-CZ 3.78Å; Y476-F482 HydrophobicContact CD1-CZ 3.78Å; Y476-F482 AromaticContact CD2-CZ 3.82Å; Y476-F482 HydrophobicContact CD2-CZ 3.82Å; Y476-F482 AromaticContact CE1-CE1 3.69Å; Y476-F482 HydrophobicContact CE1-CE1 3.69Å; Y476-F482 AromaticContact CE1-CZ 3.55Å; Y476-F482 HydrophobicContact CE1-CZ 3.55Å; Y476-F482 AromaticContact CE2-CE1 3.94Å; Y476-F482 HydrophobicContact CE2-CE1 3.94Å; Y476-F482 AromaticContact CE2-CZ 3.62Å; Y476-F482 HydrophobicContact CE2-CZ 3.62Å; Y476-F482 AromaticContact CG-CZ 3.89Å; Y476-F482 HydrophobicContact CG-CZ 3.89Å; Y476-F482 AromaticContact CZ-CE1 3.43Å; Y476-F482 VanDerWaalsContact CZ-CE1 3.43Å; Y476-F482 AromaticContact CZ-CZ 3.46Å; Y476-F482 VanDerWaalsContact CZ-CZ 3.46Å; Y476-F482 WeakPolarHBondContact OH-CE1 3.37Å; Y480-F482 AromaticContact CD1-CD1 3.77Å; Y480-F482 HydrophobicContact CD1-CD1 3.77Å; Y480-F482 HydrophobicContact CD1-CD2 4.09Å; Y480-F482 AromaticContact CD1-CE1 3.69Å; Y480-F482 HydrophobicContact CD1-CE1 3.69Å; Y480-F482 HydrophobicContact CD1-CE2 4.01Å; Y480-F482 AromaticContact CD1-CG 3.97Å; Y480-F482 HydrophobicContact CD1-CG 3.97Å; Y480-F482 AromaticContact CD1-CZ 3.82Å; Y480-F482 HydrophobicContact CD1-CZ 3.82Å; Y480-F482 AromaticContact CE1-CD1 3.86Å; Y480-F482 HydrophobicContact CE1-CD1 3.86Å; Y480-F482 AromaticContact CE1-CE1 3.97Å; Y480-F482 HydrophobicContact CE1-CE1 3.97Å; Y480-F482 HydrophobicContact CE1-CG 4.34Å; F482-T484 PolarHBondContact O-N 3.15Å; F482-F485 PolarHBondContact O-N 3.2Å; F482-T486 PolarHBondContact O-N 3.1Å; F482-T486 PolarHBondContact O-OG1 3.24Å; F482-V581 HydrophobicContact CD1-CG1 4.42Å; F482-V581 HydrophobicContact CE1-CG1 4.42Å
483	S	70.2	Confident	69.6	Low	58 Å²	58	73.7 Å²	73.7	41%	0.406	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-62.4	-28.5	-172	65.9	0	0	0	0	113.2	N481 F485 T486 M487	N481-S483 PolarHBondContact ND2-OG 3.14Å; N481-S483 WeakPolarHBondContact OD1-CB 3.28Å; N481-S483 PolarHBondContact OD1-N 3Å; N481-S483 PolarHBondContact OD1-OG 2.52Å; S483-F485 PolarHBondContact O-N 3.45Å; S483-F485 VanDerWaalsContact O-N 3.08Å; S483-T486 PolarHBondContact O-N 3.25Å; S483-M487 VanDerWaalsContact O-CG 3.32Å; S483-M487 WeakPolarHBondContact O-CG 3.17Å
484	T	58.7	Low	66.8	Low	43 Å²	43	80 Å²	80	26%	0.264	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-64.4	-13.8	176.7	45	0	0	0	0	113.8	N481 F482 M496 N498	N481-T484 PolarHBondContact O-OG1 3.46Å; N481-T484 VanDerWaalsContact O-OG1 3.11Å; F482-T484 PolarHBondContact O-N 3.15Å; T484-M496 HydrophobicContact CG2-CE 4.02Å; T484-M496 HydrophobicContact CG2-SD 4.32Å; T484-N498 PolarHBondContact O-ND2 3.26Å
485	F	55.6	Low	64.2	Low	51 Å²	51	87.1 Å²	87.1	22%	0.224	44%	0.435	C	S	.	.	G	3₁₀ helix	trans	-116.2	-10.6	-178.2	-51.2	-75.8	0	0	0	112.8	Y480 F482 S483 N498 P524 V581 T582	Y480-F485 HydrophobicContact CE1-CD2 4.35Å; Y480-F485 HydrophobicContact CE1-CE2 4.13Å; Y480-F485 AromaticContact CZ-CE2 3.93Å; Y480-F485 VanDerWaalsContact OH-CE2 3.25Å; Y480-F485 WeakPolarHBondContact OH-CE2 3.45Å; F482-F485 PolarHBondContact O-N 3.2Å; S483-F485 PolarHBondContact O-N 3.45Å; S483-F485 VanDerWaalsContact O-N 3.08Å; F485-N498 HydrophobicContact CD1-CB 4.3Å; F485-N498 HydrophobicContact CE1-CB 4.06Å; F485-P524 HydrophobicContact CE1-CB 4.04Å; F485-P524 HydrophobicContact CE1-CG 3.92Å; F485-P524 HydrophobicContact CZ-CB 3.74Å; F485-P524 HydrophobicContact CZ-CG 4.12Å; F485-V581 HydrophobicContact CB-CG2 4.35Å; F485-V581 HydrophobicContact CD1-CG2 3.76Å; F485-V581 HydrophobicContact CD2-CB 4.31Å; F485-V581 HydrophobicContact CD2-CG2 3.61Å; F485-V581 HydrophobicContact CE1-CG2 3.93Å; F485-V581 HydrophobicContact CE2-CG2 3.76Å; F485-V581 HydrophobicContact CG-CB 4.25Å; F485-V581 HydrophobicContact CG-CG2 3.6Å; F485-V581 HydrophobicContact CZ-CG2 3.94Å; F485-T582 HydrophobicContact CD1-CG2 4.37Å; F485-T582 HydrophobicContact CE1-CG2 4.26Å
486	T	48.1	Very low	61.9	Low	98 Å²	98	91.7 Å²	91.7	60%	0.601	46%	0.458	S	S	*	.			trans	-119.9	71.1	-179.3	58.7	0	0	0	0	110	F482 S483	F482-T486 PolarHBondContact O-N 3.1Å; F482-T486 PolarHBondContact O-OG1 3.24Å; S483-T486 PolarHBondContact O-N 3.25Å
487	M	42.2	Very low	60.3	Low	110 Å²	110	95.6 Å²	95.6	54%	0.542	48%	0.475	S	S	.	.			trans	-126.2	124.7	172.8	-71.6	-65.5	-92.4	0	0	111.2	S483 D489	S483-M487 VanDerWaalsContact O-CG 3.32Å; S483-M487 WeakPolarHBondContact O-CG 3.17Å; M487-D489 HydrophobicContact CE-CB 4.49Å; M487-D489 WeakPolarHBondContact CE-OD2 3.37Å; M487-D489 PolarHBondContact O-N 2.87Å
488	K	43.1	Very low	59.2	Low	209 Å²	209	96.7 Å²	96.7	91%	0.909	48%	0.482	S	S	*	.			trans	-73.8	-5.8	167.8	-73.8	178.1	173.5	178.6	0	112.1	K490	K488-K490 PolarHBondContact O-N 3.07Å
489	D	40.6	Very low	58.7	Low	92 Å²	92	98.6 Å²	98.6	49%	0.492	49%	0.492	S	S	.	.			trans	-92.2	103.4	-176.1	-61.8	-28.7	0	0	0	110.6	M487 E491 V493	M487-D489 HydrophobicContact CE-CB 4.49Å; M487-D489 WeakPolarHBondContact CE-OD2 3.37Å; M487-D489 PolarHBondContact O-N 2.87Å; D489-E491 PolarHBondContact O-N 2.99Å; D489-E491 VanDerWaalsContact O-N 3.15Å; D489-V493 WeakPolarHBondContact O-CG2 3.24Å
490	K	43.6	Very low	58.8	Low	190 Å²	190	92.2 Å²	92.2	83%	0.826	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-16.2	-178.7	-72.5	-179.4	175.1	179.7	0	114.3	K488	K488-K490 PolarHBondContact O-N 3.07Å
491	E	42.9	Very low	58.9	Low	177 Å²	177	91.7 Å²	91.7	83%	0.827	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-22.5	-167.7	-70.4	-175.2	159.8	0	0	114.8	D489	D489-E491 PolarHBondContact O-N 2.99Å; D489-E491 VanDerWaalsContact O-N 3.15Å
492	N	39	Very low	59.3	Low	137 Å²	137	89.2 Å²	89.2	73%	0.733	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	-6.6	177.4	-78	-29.6	0	0	0	114.3	I494	N492-I494 VanDerWaalsContact C-N 3.34Å; N492-I494 PolarHBondContact O-N 2.75Å
493	V	40	Very low	60	Low	83 Å²	83	87.8 Å²	87.8	50%	0.503	44%	0.443	S	S	.	.	G	3₁₀ helix	trans	-79.3	-17	-173.9	175.6	0	0	0	0	112.7	D489 N495	D489-V493 WeakPolarHBondContact O-CG2 3.24Å; V493-N495 PolarHBondContact O-N 3.45Å
494	I	38.9	Very low	61.3	Low	146 Å²	146	85 Å²	85	75%	0.749	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-67.4	-20.8	-174.6	-58.3	175.5	0	0	0	112.5	N492	N492-I494 VanDerWaalsContact C-N 3.34Å; N492-I494 PolarHBondContact O-N 2.75Å
495	N	42.2	Very low	63.1	Low	150 Å²	150	83.7 Å²	83.7	80%	0.802	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-106.2	-1.8	-175.9	-83	-9.1	0	0	0	116.1	V493	V493-N495 PolarHBondContact O-N 3.45Å
496	M	50.5	Low	65.1	Low	96 Å²	96	81.4 Å²	81.4	47%	0.473	40%	0.404	S	S	.	.			trans	-109	106.1	176	-67.2	-172.2	76.8	0	0	111.7	T484 N498	T484-M496 HydrophobicContact CG2-CE 4.02Å; T484-M496 HydrophobicContact CG2-SD 4.32Å; M496-N498 VanDerWaalsContact C-N 3.32Å; M496-N498 WeakPolarHBondContact CB-ND2 3.48Å; M496-N498 WeakPolarHBondContact O-CB 3.14Å; M496-N498 PolarHBondContact O-N 3.08Å
497	K	62	Low	67.4	Low	94 Å²	94	78.3 Å²	78.3	41%	0.409	39%	0.385	S	S	.	.			trans	-61	84.5	170.3	-74.6	-179.9	-164.5	178.3	0	110.8	I599 D600 E603	K497-I599 HydrophobicContact CB-CD1 4.33Å; K497-I599 HydrophobicContact CB-CG1 4.4Å; K497-D600 WeakPolarHBondContact CD-OD1 3.5Å; K497-D600 WeakPolarHBondContact CE-OD1 3.46Å; K497-D600 IonicContact NZ-OD1 3.86Å; K497-D600 PolarHBondContact NZ-OD1 3.31Å; K497-D600 IonicContact NZ-OD2 2.62Å; K497-D600 PolarHBondContact NZ-OD2 2.81Å; K497-E603 VanDerWaalsContact C-OE1 3.23Å; K497-E603 HydrophobicContact CB-CG 3.85Å; K497-E603 HydrophobicContact CD-CG 4.4Å; K497-E603 HydrophobicContact CG-CG 4.08Å
498	N	73.4	Confident	69.9	Low	34 Å²	34	75.3 Å²	75.3	18%	0.182	37%	0.369	C	S	.	.			trans	-128.5	19.7	-164.3	-73.7	-7.3	0	0	0	113.7	T484 F485 M496 T582 E603	T484-N498 PolarHBondContact O-ND2 3.26Å; F485-N498 HydrophobicContact CD1-CB 4.3Å; F485-N498 HydrophobicContact CE1-CB 4.06Å; M496-N498 VanDerWaalsContact C-N 3.32Å; M496-N498 WeakPolarHBondContact CB-ND2 3.48Å; M496-N498 WeakPolarHBondContact O-CB 3.14Å; M496-N498 PolarHBondContact O-N 3.08Å; N498-T582 WeakPolarHBondContact O-CG2 3.33Å; N498-E603 PolarHBondContact N-OE1 2.59Å
499	H	85.4	Confident	72.2	Confident	75 Å²	75	69.2 Å²	69.2	35%	0.347	35%	0.347	S	S	.	.	S	Bend	trans	-83	-19	-178.6	-61.2	111.3	0	0	0	113.1	T582 K583 F584 E603 I606	H499-T582 WeakPolarHBondContact O-CB 3.48Å; H499-K583 PolarHBondContact O-N 3.23Å; H499-F584 HydrophobicContact CB-CD2 4.17Å; H499-F584 WeakPolarHBondContact O-CD2 3.21Å; H499-F584 PolarHBondContact O-N 3.25Å; H499-E603 WeakPolarHBondContact CB-OE2 3.47Å; H499-E603 IonicContact CE1-OE2 2.73Å; H499-E603 IonicContact CG-OE2 2.66Å; H499-E603 PolarHBondContact N-OE1 3.01Å; H499-E603 IonicContact ND1-OE2 3.47Å; H499-E603 PolarHBondContact ND1-OE2 2.62Å; H499-I606 HydrophobicContact CB-CG2 4.07Å
500	V	92.8	Very high	74.7	Confident	0 Å²	0	66 Å²	66	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	133.9	-175.4	60.9	0	0	0	0	113.4	W521 P524 F584 F586 I602 I606 I691	V500-W521 HydrophobicContact CG1-CH2 3.79Å; V500-W521 HydrophobicContact CG1-CZ2 3.92Å; V500-W521 HydrophobicContact CG2-CH2 4.29Å; V500-W521 HydrophobicContact CG2-CZ2 4.45Å; V500-P524 WeakPolarHBondContact O-CD 3.5Å; V500-P524 VanDerWaalsContact O-CG 3.27Å; V500-P524 WeakPolarHBondContact O-CG 3.15Å; V500-F584 WeakPolarHBondContact CA-O 3.36Å; V500-F584 HydrophobicContact CB-CB 4.36Å; V500-F584 HydrophobicContact CG2-CB 4.44Å; V500-F586 HydrophobicContact CG2-CB 3.8Å; V500-I602 HydrophobicContact CB-CG2 4.44Å; V500-I602 HydrophobicContact CG1-CG2 3.79Å; V500-I602 HydrophobicContact CG2-CG2 4.49Å; V500-I606 HydrophobicContact CB-CD1 3.61Å; V500-I606 HydrophobicContact CG1-CD1 3.93Å; V500-I606 HydrophobicContact CG2-CD1 4.29Å; V500-I691 HydrophobicContact CG2-CG2 4.26Å
501	S	95.3	Very high	77.1	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.007	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	132.1	170.7	-65.2	0	0	0	0	108.8	V503 P524 T582 F584 I585 F586	S501-V503 PolarHBondContact O-N 2.85Å; S501-P524 CarbonylContact C-O 3.59Å; S501-P524 WeakPolarHBondContact CA-O 3.42Å; S501-T582 WeakPolarHBondContact CB-OG1 3.28Å; S501-T582 PolarHBondContact N-OG1 2.47Å; S501-T582 WeakPolarHBondContact OG-CB 3.45Å; S501-T582 WeakPolarHBondContact OG-CG2 3.45Å; S501-T582 PolarHBondContact OG-OG1 3.09Å; S501-F584 PolarHBondContact N-O 2.94Å; S501-I585 CarbonylContact O-C 3.57Å; S501-I585 WeakPolarHBondContact O-CA 3.28Å; S501-F586 PolarHBondContact O-N 3.25Å
502	L	96.8	Very high	79.4	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	127.2	166	-174	155	0	0	0	108.9	L517 W521 P524 M525 S526 F586 I588	L502-L517 HydrophobicContact CD1-CD1 3.89Å; L502-L517 HydrophobicContact CD1-CD2 4.46Å; L502-L517 HydrophobicContact CD1-CG 4.41Å; L502-L517 HydrophobicContact CD2-CD2 3.89Å; L502-W521 HydrophobicContact CB-CD2 3.85Å; L502-W521 VanDerWaalsContact CB-CE2 3.49Å; L502-W521 HydrophobicContact CB-CG 4.05Å; L502-W521 HydrophobicContact CB-CZ2 3.92Å; L502-W521 HydrophobicContact CD1-CB 3.92Å; L502-W521 HydrophobicContact CD1-CD2 3.61Å; L502-W521 HydrophobicContact CD1-CE3 3.88Å; L502-W521 HydrophobicContact CD1-CG 3.59Å; L502-W521 HydrophobicContact CG-CD2 4.41Å; L502-W521 HydrophobicContact CG-CG 4.49Å; L502-P524 PolarHBondContact N-O 3.01Å; L502-M525 HydrophobicContact CB-CG 4.25Å; L502-M525 HydrophobicContact CD2-CE 4.22Å; L502-M525 CarbonylContact O-C 3.5Å; L502-M525 VanDerWaalsContact O-CA 3.29Å; L502-M525 WeakPolarHBondContact O-CA 3.29Å; L502-S526 PolarHBondContact O-N 3.22Å; L502-F586 WeakPolarHBondContact CA-O 3.27Å; L502-I588 HydrophobicContact CD1-CD1 3.69Å; L502-I588 HydrophobicContact CD1-CG1 4.18Å; L502-I588 HydrophobicContact CD2-CD1 4.03Å; L502-I588 HydrophobicContact CD2-CG1 3.85Å; L502-I588 HydrophobicContact CG-CD1 4.08Å; L502-I588 HydrophobicContact CG-CG1 4Å
503	V	98	Very high	82	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	124.4	-177.6	176.7	0	0	0	0	108.2	S501 S526 A576 I577 I585 F586 H587 I588	S501-V503 PolarHBondContact O-N 2.85Å; V503-S526 WeakPolarHBondContact CA-O 3.4Å; V503-A576 HydrophobicContact CG1-CB 3.41Å; V503-A576 VanDerWaalsContact CG1-CB 3.41Å; V503-I577 HydrophobicContact CG1-CG1 3.86Å; V503-I585 HydrophobicContact CG2-CB 3.75Å; V503-I585 HydrophobicContact CG2-CG2 3.69Å; V503-F586 PolarHBondContact N-O 3.24Å; V503-H587 WeakPolarHBondContact O-CA 3.45Å; V503-I588 PolarHBondContact O-N 2.82Å
504	S	98.1	Very high	84.6	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	170.4	177.2	-159.1	0	0	0	0	112.3	S526 L527 A528 A576 I588 I590	S504-S526 PolarHBondContact N-O 2.96Å; S504-S526 VanDerWaalsContact N-O 3.11Å; S504-L527 WeakPolarHBondContact O-CA 3.45Å; S504-A528 PolarHBondContact O-N 3.32Å; S504-A576 WeakPolarHBondContact O-CB 3.25Å; S504-I588 WeakPolarHBondContact CA-O 3.29Å; S504-I588 VanDerWaalsContact CB-O 3.3Å; S504-I588 WeakPolarHBondContact CB-O 3.33Å; S504-I588 PolarHBondContact OG-O 3.27Å; S504-I590 PolarHBondContact OG-N 2.96Å
505	Q	97.4	Very high	87.2	Confident	15 Å²	15	39.7 Å²	39.7	7%	0.07	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	146.1	179.2	55.5	74.4	25.6	0	0	109.8	A528 Y567 I569 L572 R573	Q505-A528 VanDerWaalsContact CA-O 3.26Å; Q505-A528 WeakPolarHBondContact CA-O 3.31Å; Q505-Y567 PolarHBondContact OE1-OH 3.28Å; Q505-I569 HydrophobicContact CG-CG1 4.44Å; Q505-L572 HydrophobicContact CB-CB 3.69Å; Q505-L572 HydrophobicContact CG-CB 4.37Å; Q505-R573 HydrophobicContact CG-CG 3.96Å
506	L	96.9	Very high	89.6	Confident	2 Å²	2	35.9 Å²	35.9	1%	0.01	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	158	-178.3	66.2	165.9	0	0	0	113.4	R510 L527 A528 L529 Y530 I590	L506-R510 HydrophobicContact CB-CB 4.31Å; L506-L527 HydrophobicContact CD2-CB 4.26Å; L506-A528 PolarHBondContact N-O 2.83Å; L506-L529 HydrophobicContact CD1-CD2 4.07Å; L506-L529 HydrophobicContact CD2-CD2 3.92Å; L506-L529 HydrophobicContact CD2-CG 3.65Å; L506-L529 HydrophobicContact CG-CD2 3.96Å; L506-L529 HydrophobicContact CG-CG 4.06Å; L506-L529 VanDerWaalsContact O-CA 3.31Å; L506-L529 WeakPolarHBondContact O-CA 3.33Å; L506-Y530 PolarHBondContact O-N 2.84Å; L506-I590 HydrophobicContact CB-CB 4.09Å; L506-I590 HydrophobicContact CB-CG1 3.97Å; L506-I590 HydrophobicContact CB-CG2 4.05Å; L506-I590 HydrophobicContact CD1-CD1 4.21Å; L506-I590 HydrophobicContact CD1-CG1 4.11Å
507	T	95.8	Very high	91.7	Very high	33 Å²	33	31.3 Å²	31.3	20%	0.202	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	170	166.3	47.6	0	0	0	0	110.7	D509 R510 Y567	T507-D509 VanDerWaalsContact C-N 3.29Å; T507-D509 WeakPolarHBondContact CB-OD1 3.42Å; T507-D509 PolarHBondContact O-N 3.23Å; T507-D509 PolarHBondContact OG1-OD1 2.67Å; T507-R510 PolarHBondContact O-N 3.21Å; T507-R510 VanDerWaalsContact O-N 3.15Å; T507-Y567 HydrophobicContact CG2-CD2 3.94Å; T507-Y567 HydrophobicContact CG2-CE2 3.29Å
508	F	94.7	Very high	93.2	Very high	47 Å²	47	26.9 Å²	26.9	21%	0.206	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-58.5	-36.8	-179.4	-168.2	-102.3	0	0	0	113.5	R510 L511 L531 E535 L538	F508-R510 PolarHBondContact O-N 2.96Å; F508-R510 VanDerWaalsContact O-N 3.12Å; F508-L511 HydrophobicContact CD2-CD2 4.33Å; F508-L511 HydrophobicContact CE2-CD2 3.96Å; F508-L511 WeakPolarHBondContact O-CB 3.48Å; F508-L511 PolarHBondContact O-N 3.31Å; F508-L511 VanDerWaalsContact O-N 3.08Å; F508-L531 HydrophobicContact CB-CD2 3.7Å; F508-L531 HydrophobicContact CD2-CD2 4.03Å; F508-L531 HydrophobicContact CG-CD2 4.37Å; F508-E535 HydrophobicContact CB-CB 4.37Å; F508-E535 HydrophobicContact CB-CG 4.07Å; F508-E535 WeakPolarHBondContact CB-OE1 3.46Å; F508-E535 HydrophobicContact CD1-CG 4.17Å; F508-E535 HydrophobicContact CD2-CB 3.65Å; F508-E535 HydrophobicContact CD2-CG 3.84Å; F508-E535 HydrophobicContact CE2-CB 4.13Å; F508-E535 HydrophobicContact CE2-CG 4.32Å; F508-E535 HydrophobicContact CG-CB 4.05Å; F508-E535 HydrophobicContact CG-CG 3.75Å; F508-L538 HydrophobicContact CE1-CD1 4.34Å; F508-L538 HydrophobicContact CE2-CB 3.69Å; F508-L538 HydrophobicContact CE2-CD1 4.29Å; F508-L538 HydrophobicContact CZ-CB 3.73Å; F508-L538 HydrophobicContact CZ-CD1 3.71Å; F508-L538 HydrophobicContact CZ-CG 4.38Å
509	D	92.9	Very high	94.1	Very high	82 Å²	82	29.8 Å²	29.8	44%	0.439	14%	0.143	S	C	.	.	G	3₁₀ helix	trans	-68.7	-8.4	-179.8	64.5	-63.1	0	0	0	114.2	T507 H512	T507-D509 VanDerWaalsContact C-N 3.29Å; T507-D509 WeakPolarHBondContact CB-OD1 3.42Å; T507-D509 PolarHBondContact O-N 3.23Å; T507-D509 PolarHBondContact OG1-OD1 2.67Å; D509-H512 PolarHBondContact O-ND1 3.33Å
510	R	93.1	Very high	94.4	Very high	23 Å²	23	28.4 Å²	28.4	9%	0.087	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-106	7.9	173.9	-66.8	-64.9	-175.8	-79	-10.4	113.8	L506 T507 F508 H512 R513 I590 D591 H737 P738	L506-R510 HydrophobicContact CB-CB 4.31Å; T507-R510 PolarHBondContact O-N 3.21Å; T507-R510 VanDerWaalsContact O-N 3.15Å; F508-R510 PolarHBondContact O-N 2.96Å; F508-R510 VanDerWaalsContact O-N 3.12Å; R510-H512 PolarHBondContact O-N 2.99Å; R510-H512 VanDerWaalsContact O-N 3.14Å; R510-R513 WeakPolarHBondContact O-CB 3.31Å; R510-R513 PolarHBondContact O-N 3.32Å; R510-I590 HydrophobicContact CB-CG2 3.88Å; R510-I590 HydrophobicContact CG-CG2 4.08Å; R510-D591 VanDerWaalsContact CD-OD1 3.32Å; R510-D591 WeakPolarHBondContact CD-OD1 3.4Å; R510-D591 IonicContact NE-OD1 2.92Å; R510-D591 PolarHBondContact NE-OD1 3.44Å; R510-D591 IonicContact NE-OD2 3.89Å; R510-H737 PolarHBondContact NH2-ND1 3.37Å; R510-P738 PolarHBondContact NH2-O 3.49Å
511	L	93.2	Very high	94.4	Very high	11 Å²	11	28.4 Å²	28.4	6%	0.058	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-30.9	-176.5	-173.7	58	0	0	0	113.6	F508 R513 L514 L539 Y542	F508-L511 HydrophobicContact CD2-CD2 4.33Å; F508-L511 HydrophobicContact CE2-CD2 3.96Å; F508-L511 WeakPolarHBondContact O-CB 3.48Å; F508-L511 PolarHBondContact O-N 3.31Å; F508-L511 VanDerWaalsContact O-N 3.08Å; L511-R513 PolarHBondContact O-N 2.74Å; L511-L514 HydrophobicContact CD1-CB 4.42Å; L511-L514 HydrophobicContact CD1-CD2 3.84Å; L511-L514 WeakPolarHBondContact O-CB 3.33Å; L511-L514 PolarHBondContact O-N 3.43Å; L511-L514 VanDerWaalsContact O-N 3.1Å; L511-L539 HydrophobicContact CD1-CD1 3.49Å; L511-L539 VanDerWaalsContact CD1-CD1 3.49Å; L511-L539 HydrophobicContact CD2-CD1 4.26Å; L511-Y542 HydrophobicContact CD1-CD1 3.82Å; L511-Y542 HydrophobicContact CD1-CE1 3.98Å; L511-Y542 HydrophobicContact CD1-CG 4.41Å; L511-Y542 HydrophobicContact CD2-CD1 3.79Å; L511-Y542 HydrophobicContact CD2-CD2 3.85Å; L511-Y542 HydrophobicContact CD2-CE1 4.37Å; L511-Y542 HydrophobicContact CD2-CE2 4.42Å; L511-Y542 HydrophobicContact CD2-CG 3.5Å; L511-Y542 VanDerWaalsContact CD2-CG 3.5Å; L511-Y542 HydrophobicContact CG-CD1 3.63Å; L511-Y542 HydrophobicContact CG-CD2 4.09Å; L511-Y542 HydrophobicContact CG-CE1 3.75Å; L511-Y542 HydrophobicContact CG-CE2 4.19Å; L511-Y542 HydrophobicContact CG-CG 3.82Å; L511-Y542 PolarHBondContact O-OH 2.96Å
512	H	91.3	Very high	94.2	Very high	86 Å²	86	33.6 Å²	33.6	40%	0.398	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-29.5	176.8	66.4	-85.8	0	0	0	113.6	D509 R510 L514	D509-H512 PolarHBondContact O-ND1 3.33Å; R510-H512 PolarHBondContact O-N 2.99Å; R510-H512 VanDerWaalsContact O-N 3.14Å; H512-L514 PolarHBondContact O-N 3.12Å
513	R	93	Very high	93.9	Very high	25 Å²	25	33.8 Å²	33.8	9%	0.094	17%	0.165	C	C	.	.	H	α-helix	trans	-69.7	-21.2	177.6	-65.3	-57.1	-172.4	-159.1	-3.4	113.5	R510 L511 E515 E516 L517 I590 D591 P736	R510-R513 WeakPolarHBondContact O-CB 3.31Å; R510-R513 PolarHBondContact O-N 3.32Å; L511-R513 PolarHBondContact O-N 2.74Å; R513-E515 PolarHBondContact O-N 3.11Å; R513-E516 WeakPolarHBondContact CD-OE2 3.42Å; R513-E516 IonicContact CZ-OE2 3.97Å; R513-E516 IonicContact NE-OE2 3.46Å; R513-E516 IonicContact NH1-OE1 3.81Å; R513-E516 IonicContact NH1-OE2 3.79Å; R513-E516 PolarHBondContact NH1-OE2 3.1Å; R513-E516 PolarHBondContact O-N 3.17Å; R513-L517 WeakPolarHBondContact O-CB 3.24Å; R513-L517 PolarHBondContact O-N 3.41Å; R513-I590 HydrophobicContact CB-CD1 4.39Å; R513-I590 HydrophobicContact CB-CG1 3.83Å; R513-D591 IonicContact NE-OD1 3.85Å; R513-P736 PolarHBondContact NH2-O 3.03Å
514	L	94.8	Very high	93.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-60	-45.2	-176.1	176	59.9	0	0	0	112.3	L511 H512 A518 L527 Y542 L549 Y557	L511-L514 HydrophobicContact CD1-CB 4.42Å; L511-L514 HydrophobicContact CD1-CD2 3.84Å; L511-L514 WeakPolarHBondContact O-CB 3.33Å; L511-L514 PolarHBondContact O-N 3.43Å; L511-L514 VanDerWaalsContact O-N 3.1Å; H512-L514 PolarHBondContact O-N 3.12Å; L514-A518 WeakPolarHBondContact O-CB 3.27Å; L514-A518 PolarHBondContact O-N 3.3Å; L514-L527 HydrophobicContact CD1-CD1 3.19Å; L514-Y542 HydrophobicContact CD2-CE1 4.34Å; L514-L549 HydrophobicContact CD2-CD1 3.69Å; L514-L549 HydrophobicContact CD2-CD2 4.37Å; L514-L549 HydrophobicContact CG-CD1 3.89Å; L514-L549 HydrophobicContact CG-CD2 3.98Å; L514-Y557 HydrophobicContact CD1-CE1 4.38Å; L514-Y557 HydrophobicContact CD2-CE1 3.71Å
515	E	94.2	Very high	93.6	Very high	60 Å²	60	33.9 Å²	33.9	28%	0.28	17%	0.165	S	C	.	.	H	α-helix	trans	-69.8	-42.8	-178.8	-172.4	166.8	130.3	0	0	111	R513 L517 A518 I519 S546 I548 L549	R513-E515 PolarHBondContact O-N 3.11Å; E515-L517 VanDerWaalsContact C-N 3.3Å; E515-L517 PolarHBondContact O-N 2.97Å; E515-A518 PolarHBondContact O-N 3.35Å; E515-A518 VanDerWaalsContact O-N 3.17Å; E515-I519 HydrophobicContact CG-CD1 4.17Å; E515-I519 VanDerWaalsContact O-CG1 3.27Å; E515-I519 WeakPolarHBondContact O-CG1 3.37Å; E515-I519 PolarHBondContact O-N 3.46Å; E515-S546 VanDerWaalsContact OE2-CB 3.24Å; E515-S546 WeakPolarHBondContact OE2-CB 3.08Å; E515-S546 PolarHBondContact OE2-OG 2.84Å; E515-I548 HydrophobicContact CG-CB 4.42Å; E515-I548 HydrophobicContact CG-CD1 3.88Å; E515-L549 HydrophobicContact CB-CD1 4.36Å
516	E	92.6	Very high	93.6	Very high	70 Å²	70	33.3 Å²	33.3	33%	0.327	16%	0.162	S	C	.	.	H	α-helix	trans	-57.4	-44	175.7	-61.4	178.9	154.5	0	0	111.6	R513 R520 L593	R513-E516 WeakPolarHBondContact CD-OE2 3.42Å; R513-E516 IonicContact CZ-OE2 3.97Å; R513-E516 IonicContact NE-OE2 3.46Å; R513-E516 IonicContact NH1-OE1 3.81Å; R513-E516 IonicContact NH1-OE2 3.79Å; R513-E516 PolarHBondContact NH1-OE2 3.1Å; R513-E516 PolarHBondContact O-N 3.17Å; E516-R520 PolarHBondContact O-N 3.44Å; E516-L593 HydrophobicContact CB-CD1 4.04Å; E516-L593 HydrophobicContact CB-CD2 3.89Å
517	L	94.8	Very high	93.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-67.1	-44	176.3	-178.7	59.5	0	0	0	111.7	L502 R513 E515 I519 R520 W521 M525 I588 I590 L593 P594	L502-L517 HydrophobicContact CD1-CD1 3.89Å; L502-L517 HydrophobicContact CD1-CD2 4.46Å; L502-L517 HydrophobicContact CD1-CG 4.41Å; L502-L517 HydrophobicContact CD2-CD2 3.89Å; R513-L517 WeakPolarHBondContact O-CB 3.24Å; R513-L517 PolarHBondContact O-N 3.41Å; E515-L517 VanDerWaalsContact C-N 3.3Å; E515-L517 PolarHBondContact O-N 2.97Å; L517-I519 VanDerWaalsContact C-N 3.26Å; L517-I519 PolarHBondContact O-N 3.17Å; L517-R520 PolarHBondContact O-N 3.08Å; L517-W521 PolarHBondContact O-N 2.97Å; L517-M525 HydrophobicContact CB-CE 4.49Å; L517-M525 HydrophobicContact CD2-CE 3.62Å; L517-M525 HydrophobicContact CG-CE 3.73Å; L517-I588 HydrophobicContact CD1-CD1 3.79Å; L517-I588 HydrophobicContact CD2-CD1 4.22Å; L517-I590 HydrophobicContact CD2-CD1 3.86Å; L517-L593 HydrophobicContact CB-CD2 4.05Å; L517-L593 HydrophobicContact CD1-CD2 4.34Å; L517-P594 HydrophobicContact CD1-CG 4.29Å
518	A	93.7	Very high	93.9	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-67.1	-23.8	-179.8	0	0	0	0	0	113.4	L514 E515 M525 L549 R552 I555	L514-A518 WeakPolarHBondContact O-CB 3.27Å; L514-A518 PolarHBondContact O-N 3.3Å; E515-A518 PolarHBondContact O-N 3.35Å; E515-A518 VanDerWaalsContact O-N 3.17Å; A518-M525 HydrophobicContact CB-SD 4.36Å; A518-L549 HydrophobicContact CB-CD2 3.61Å; A518-R552 VanDerWaalsContact CA-NH1 3.31Å; A518-R552 PolarHBondContact O-NH1 3.15Å; A518-I555 HydrophobicContact CB-CD1 4.12Å
519	I	91.9	Very high	94	Very high	95 Å²	95	29.5 Å²	29.5	49%	0.487	14%	0.143	S	C	.	.	H	α-helix	trans	-71	-41.4	172.5	-70	162.5	0	0	0	110.7	E515 L517 I548	E515-I519 HydrophobicContact CG-CD1 4.17Å; E515-I519 VanDerWaalsContact O-CG1 3.27Å; E515-I519 WeakPolarHBondContact O-CG1 3.37Å; E515-I519 PolarHBondContact O-N 3.46Å; L517-I519 VanDerWaalsContact C-N 3.26Å; L517-I519 PolarHBondContact O-N 3.17Å; I519-I548 HydrophobicContact CD1-CD1 3.63Å; I519-I548 HydrophobicContact CG1-CD1 3.55Å
520	R	91.8	Very high	94.3	Very high	46 Å²	46	26.5 Å²	26.5	17%	0.174	13%	0.126	C	C	.	.	H	α-helix	trans	-86.2	-25.4	-174.8	-68.8	174.9	167.2	-99	-13.1	113.8	E516 L517 P594	E516-R520 PolarHBondContact O-N 3.44Å; L517-R520 PolarHBondContact O-N 3.08Å; R520-P594 HydrophobicContact CB-CG 3.93Å; R520-P594 WeakPolarHBondContact CD-O 3.46Å; R520-P594 PolarHBondContact NH1-O 3.46Å
521	W	92.9	Very high	94.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.122	C	C	.	.			trans	-112.2	97	177.1	-177.1	-89.5	0	0	0	111.6	V500 L502 L517 G523 P524 M525 R552 F586 P594 I598 I602	V500-W521 HydrophobicContact CG1-CH2 3.79Å; V500-W521 HydrophobicContact CG1-CZ2 3.92Å; V500-W521 HydrophobicContact CG2-CH2 4.29Å; V500-W521 HydrophobicContact CG2-CZ2 4.45Å; L502-W521 HydrophobicContact CB-CD2 3.85Å; L502-W521 VanDerWaalsContact CB-CE2 3.49Å; L502-W521 HydrophobicContact CB-CG 4.05Å; L502-W521 HydrophobicContact CB-CZ2 3.92Å; L502-W521 HydrophobicContact CD1-CB 3.92Å; L502-W521 HydrophobicContact CD1-CD2 3.61Å; L502-W521 HydrophobicContact CD1-CE3 3.88Å; L502-W521 HydrophobicContact CD1-CG 3.59Å; L502-W521 HydrophobicContact CG-CD2 4.41Å; L502-W521 HydrophobicContact CG-CG 4.49Å; L517-W521 PolarHBondContact O-N 2.97Å; W521-G523 VanDerWaalsContact C-N 3.35Å; W521-G523 VanDerWaalsContact CD1-O 3.25Å; W521-G523 VanDerWaalsContact NE1-C 3.29Å; W521-G523 PolarHBondContact NE1-O 2.91Å; W521-P524 PolarHBondContact NE1-O 3.49Å; W521-M525 VanDerWaalsContact CD1-CG 3.42Å; W521-M525 HydrophobicContact CG-CG 4.47Å; W521-R552 PolarHBondContact O-NH1 3.41Å; W521-R552 PolarHBondContact O-NH2 3.05Å; W521-F586 HydrophobicContact CE3-CD1 4.36Å; W521-F586 HydrophobicContact CH2-CB 4.42Å; W521-F586 AromaticContact CH2-CD1 3.94Å; W521-F586 HydrophobicContact CH2-CD1 3.94Å; W521-F586 AromaticContact CZ3-CD1 3.64Å; W521-F586 HydrophobicContact CZ3-CD1 3.64Å; W521-F586 HydrophobicContact CZ3-CE1 4.15Å; W521-P594 HydrophobicContact CB-CG 4.46Å; W521-I598 HydrophobicContact CE3-CG2 3.54Å; W521-I598 HydrophobicContact CZ3-CG2 3.65Å; W521-I602 HydrophobicContact CH2-CD1 4.09Å; W521-I602 HydrophobicContact CZ3-CD1 3.72Å
522	L	90.7	Very high	94.6	Very high	111 Å²	111	27 Å²	27	58%	0.581	13%	0.132	S	C	*	.			trans	-78.1	-17.6	-179.6	-61.2	179.6	0	0	0	114.1	R552 N554	L522-R552 PolarHBondContact O-NH2 2.77Å; L522-N554 PolarHBondContact O-ND2 3.04Å
523	G	90.3	Very high	94.8	Very high	4 Å²	4	23.3 Å²	23.3	4%	0.041	12%	0.115	C	C	.	.	S	Bend	trans	-69.9	178.8	180	0	0	0	0	0	114.1	W521 R552 N554	W521-G523 VanDerWaalsContact C-N 3.35Å; W521-G523 VanDerWaalsContact CD1-O 3.25Å; W521-G523 VanDerWaalsContact NE1-C 3.29Å; W521-G523 PolarHBondContact NE1-O 2.91Å; G523-R552 PolarHBondContact O-NH2 3.36Å; G523-N554 PolarHBondContact O-ND2 2.9Å
524	P	94.1	Very high	94.9	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.13	C	C	.	.			trans	-61.3	144.9	177.3	22.4	-27.6	0	0	0	111.6	F485 V500 S501 L502 W521 N554 T582	F485-P524 HydrophobicContact CE1-CB 4.04Å; F485-P524 HydrophobicContact CE1-CG 3.92Å; F485-P524 HydrophobicContact CZ-CB 3.74Å; F485-P524 HydrophobicContact CZ-CG 4.12Å; V500-P524 WeakPolarHBondContact O-CD 3.5Å; V500-P524 VanDerWaalsContact O-CG 3.27Å; V500-P524 WeakPolarHBondContact O-CG 3.15Å; S501-P524 CarbonylContact C-O 3.59Å; S501-P524 WeakPolarHBondContact CA-O 3.42Å; L502-P524 PolarHBondContact N-O 3.01Å; W521-P524 PolarHBondContact NE1-O 3.49Å; P524-N554 WeakPolarHBondContact CA-O 3.4Å; P524-T582 HydrophobicContact CB-CG2 4.37Å; P524-T582 HydrophobicContact CG-CG2 3.52Å
525	M	96.3	Very high	95	Very high	2 Å²	2	29 Å²	29	1%	0.01	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	144.6	177.7	-61.1	171.7	70.5	0	0	109.6	L502 L517 A518 W521 L527 N554 I555 G556	L502-M525 HydrophobicContact CB-CG 4.25Å; L502-M525 HydrophobicContact CD2-CE 4.22Å; L502-M525 CarbonylContact O-C 3.5Å; L502-M525 VanDerWaalsContact O-CA 3.29Å; L502-M525 WeakPolarHBondContact O-CA 3.29Å; L517-M525 HydrophobicContact CB-CE 4.49Å; L517-M525 HydrophobicContact CD2-CE 3.62Å; L517-M525 HydrophobicContact CG-CE 3.73Å; A518-M525 HydrophobicContact CB-SD 4.36Å; W521-M525 VanDerWaalsContact CD1-CG 3.42Å; W521-M525 HydrophobicContact CG-CG 4.47Å; M525-L527 HydrophobicContact CB-CG 4.43Å; M525-L527 HydrophobicContact CE-CD1 4.08Å; M525-L527 HydrophobicContact CE-CD2 4.13Å; M525-L527 HydrophobicContact CE-CG 4.45Å; M525-N554 PolarHBondContact N-O 2.81Å; M525-I555 HydrophobicContact CB-CB 4.38Å; M525-I555 HydrophobicContact CB-CG1 4.15Å; M525-I555 HydrophobicContact CB-CG2 4.06Å; M525-I555 HydrophobicContact CG-CG1 4.36Å; M525-I555 HydrophobicContact SD-CD1 3.88Å; M525-I555 HydrophobicContact SD-CG1 3.9Å; M525-G556 PolarHBondContact O-N 3.46Å
526	S	97.8	Very high	95.1	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.014	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	113.8	172	-176.1	0	0	0	0	108.4	L502 V503 S504 H558 A576	L502-S526 PolarHBondContact O-N 3.22Å; V503-S526 WeakPolarHBondContact CA-O 3.4Å; S504-S526 PolarHBondContact N-O 2.96Å; S504-S526 VanDerWaalsContact N-O 3.11Å; S526-H558 PolarHBondContact OG-CD2 3.46Å; S526-H558 PolarHBondContact OG-NE2 2.79Å; S526-H558 VanDerWaalsContact OG-NE2 3.16Å; S526-A576 VanDerWaalsContact CB-O 3.26Å; S526-A576 WeakPolarHBondContact CB-O 3.39Å; S526-A576 PolarHBondContact OG-O 3.28Å
527	L	98.5	Very high	95.1	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	119.1	-169.4	-58	178.8	0	0	0	110.1	S504 L506 L514 M525 L529 I555 G556 Y557 H558	S504-L527 WeakPolarHBondContact O-CA 3.45Å; L506-L527 HydrophobicContact CD2-CB 4.26Å; L514-L527 HydrophobicContact CD1-CD1 3.19Å; M525-L527 HydrophobicContact CB-CG 4.43Å; M525-L527 HydrophobicContact CE-CD1 4.08Å; M525-L527 HydrophobicContact CE-CD2 4.13Å; M525-L527 HydrophobicContact CE-CG 4.45Å; L527-L529 HydrophobicContact CB-CD1 4.31Å; L527-L529 WeakPolarHBondContact O-CD1 3.22Å; L527-I555 HydrophobicContact CD1-CG2 3.72Å; L527-I555 HydrophobicContact CG-CG2 4.27Å; L527-G556 PolarHBondContact N-O 3.09Å; L527-Y557 HydrophobicContact CD1-CE1 4.33Å; L527-H558 PolarHBondContact O-CD2 3.49Å; L527-H558 PolarHBondContact O-N 3.48Å
528	A	98.6	Very high	95.1	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	119.9	171.1	0	0	0	0	0	110.3	S504 Q505 L506 H558 L572 I575 A576	S504-A528 PolarHBondContact O-N 3.32Å; Q505-A528 VanDerWaalsContact CA-O 3.26Å; Q505-A528 WeakPolarHBondContact CA-O 3.31Å; L506-A528 PolarHBondContact N-O 2.83Å; A528-H558 CarbonylContact C-O 3.59Å; A528-H558 WeakPolarHBondContact CA-O 3.45Å; A528-L572 HydrophobicContact CB-CB 3.99Å; A528-L572 HydrophobicContact CB-CD2 4.01Å; A528-L572 WeakPolarHBondContact CB-O 2.98Å; A528-I575 HydrophobicContact CB-CB 4.37Å; A528-I575 HydrophobicContact CB-CG2 4.22Å; A528-A576 HydrophobicContact CB-CB 3.94Å
529	L	98.4	Very high	95.2	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.01	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	122.7	-178.2	-54.8	97.4	0	0	0	110.3	L506 L527 L531 L539 Y557 H558 I559 V560	L506-L529 HydrophobicContact CD1-CD2 4.07Å; L506-L529 HydrophobicContact CD2-CD2 3.92Å; L506-L529 HydrophobicContact CD2-CG 3.65Å; L506-L529 HydrophobicContact CG-CD2 3.96Å; L506-L529 HydrophobicContact CG-CG 4.06Å; L506-L529 VanDerWaalsContact O-CA 3.31Å; L506-L529 WeakPolarHBondContact O-CA 3.33Å; L527-L529 HydrophobicContact CB-CD1 4.31Å; L527-L529 WeakPolarHBondContact O-CD1 3.22Å; L529-L531 HydrophobicContact CB-CD1 3.84Å; L529-L531 HydrophobicContact CB-CD2 4.28Å; L529-L531 HydrophobicContact CB-CG 3.75Å; L529-L531 HydrophobicContact CD2-CD1 4.33Å; L529-L531 PolarHBondContact O-N 2.98Å; L529-L539 HydrophobicContact CD1-CD2 4.32Å; L529-L539 HydrophobicContact CD2-CD1 3.87Å; L529-L539 HydrophobicContact CD2-CD2 3.94Å; L529-Y557 HydrophobicContact CD1-CD1 4.05Å; L529-H558 PolarHBondContact N-O 3.5Å; L529-I559 HydrophobicContact CB-CD1 3.94Å; L529-I559 HydrophobicContact CD1-CD1 4.04Å; L529-I559 WeakPolarHBondContact O-CA 3.48Å; L529-V560 PolarHBondContact O-N 3.01Å
530	Y	97.7	Very high	95.3	Very high	20 Å²	20	21.5 Å²	21.5	8%	0.078	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	97	176.4	-168.4	-121.1	0	0	0	110.2	H471 L506 V560 V562 D563 Y567 P568 L572	H471-Y530 AromaticContact CE1-CE2 3.96Å; H471-Y530 AromaticContact ND1-CE2 4Å; L506-Y530 PolarHBondContact O-N 2.84Å; Y530-V560 WeakPolarHBondContact CA-O 3.33Å; Y530-V560 HydrophobicContact CD2-CB 4.32Å; Y530-V560 HydrophobicContact CD2-CG1 4.16Å; Y530-V560 WeakPolarHBondContact CD2-O 3.48Å; Y530-V560 HydrophobicContact CE2-CG1 4.48Å; Y530-V562 HydrophobicContact CD1-CG2 3.85Å; Y530-V562 HydrophobicContact CD2-CG2 4.39Å; Y530-V562 HydrophobicContact CE1-CB 4.24Å; Y530-V562 HydrophobicContact CE1-CG1 4.09Å; Y530-V562 HydrophobicContact CE1-CG2 3.7Å; Y530-V562 HydrophobicContact CE2-CB 4.43Å; Y530-V562 HydrophobicContact CE2-CG2 4.27Å; Y530-V562 HydrophobicContact CG-CG2 4.21Å; Y530-D563 PolarHBondContact OH-N 2.65Å; Y530-Y567 AromaticContact CD1-CD2 3.68Å; Y530-Y567 HydrophobicContact CD1-CD2 3.68Å; Y530-Y567 AromaticContact CD1-CE2 3.77Å; Y530-Y567 HydrophobicContact CD1-CE2 3.77Å; Y530-Y567 HydrophobicContact CE1-CD2 4.21Å; Y530-Y567 HydrophobicContact CG-CD2 4.2Å; Y530-Y567 AromaticContact CG-CE2 3.93Å; Y530-Y567 HydrophobicContact CG-CE2 3.93Å; Y530-P568 HydrophobicContact CD2-CG 3.87Å; Y530-P568 HydrophobicContact CE2-CG 3.54Å; Y530-L572 HydrophobicContact CD2-CD2 4.37Å; Y530-L572 HydrophobicContact CG-CD1 4.38Å
531	L	97.6	Very high	95.3	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	147.9	-167.2	-55.3	-176	0	0	0	112.2	F508 L529 E535 A536 L539 I559 V560 Y561 V562	F508-L531 HydrophobicContact CB-CD2 3.7Å; F508-L531 HydrophobicContact CD2-CD2 4.03Å; F508-L531 HydrophobicContact CG-CD2 4.37Å; L529-L531 HydrophobicContact CB-CD1 3.84Å; L529-L531 HydrophobicContact CB-CD2 4.28Å; L529-L531 HydrophobicContact CB-CG 3.75Å; L529-L531 HydrophobicContact CD2-CD1 4.33Å; L529-L531 PolarHBondContact O-N 2.98Å; L531-E535 HydrophobicContact CB-CB 3.9Å; L531-E535 HydrophobicContact CD2-CB 4.13Å; L531-E535 HydrophobicContact CG-CB 4.42Å; L531-A536 HydrophobicContact CD1-CB 4.45Å; L531-L539 HydrophobicContact CD1-CB 4.16Å; L531-L539 HydrophobicContact CD1-CD2 4Å; L531-I559 HydrophobicContact CB-CG2 4.25Å; L531-I559 HydrophobicContact CD1-CD1 3.74Å; L531-I559 HydrophobicContact CG-CD1 4.48Å; L531-V560 PolarHBondContact N-O 2.92Å; L531-V560 VanDerWaalsContact N-O 3.14Å; L531-Y561 VanDerWaalsContact O-CA 3.25Å; L531-Y561 WeakPolarHBondContact O-CA 3.3Å; L531-V562 PolarHBondContact O-N 3.23Å; L531-V562 VanDerWaalsContact O-N 3.12Å
532	T	96.3	Very high	95.4	Very high	43 Å²	43	26.5 Å²	26.5	26%	0.264	13%	0.125	S	C	.	.			trans	-70.3	165.5	162.1	60	0	0	0	0	111.3	R534 E535 A536 V562	T532-R534 PolarHBondContact O-N 3.08Å; T532-E535 WeakPolarHBondContact CB-OE2 3.05Å; T532-E535 WeakPolarHBondContact CG2-OE2 3.38Å; T532-E535 PolarHBondContact N-OE2 3.02Å; T532-E535 PolarHBondContact O-N 3.26Å; T532-E535 WeakPolarHBondContact OG1-CB 3.22Å; T532-E535 VanDerWaalsContact OG1-CD 3.31Å; T532-E535 VanDerWaalsContact OG1-CG 3.27Å; T532-E535 WeakPolarHBondContact OG1-CG 3.41Å; T532-E535 PolarHBondContact OG1-N 2.68Å; T532-E535 PolarHBondContact OG1-OE2 2.93Å; T532-A536 WeakPolarHBondContact O-CB 3.21Å; T532-A536 PolarHBondContact O-N 3.37Å; T532-V562 HydrophobicContact CG2-CB 4.16Å; T532-V562 HydrophobicContact CG2-CG2 4.1Å
533	D	95.1	Very high	95.6	Very high	9 Å²	9	21.2 Å²	21.2	5%	0.048	10%	0.098	C	C	.	.	H	α-helix	trans	-55.6	-35.7	173.4	-75.2	-92.6	0	0	0	113.1	K99 F419 G421 R472 T537 Y561	K99-D533 IonicContact NZ-OD1 2.68Å; K99-D533 PolarHBondContact NZ-OD1 3.36Å; F419-D533 VanDerWaalsContact O-CG 3.32Å; G421-D533 PolarHBondContact N-OD2 3.33Å; R472-D533 IonicContact CZ-OD1 2.92Å; R472-D533 IonicContact NH1-OD1 2.84Å; R472-D533 IonicContact NH2-OD1 3.04Å; R472-D533 PolarHBondContact NH2-OD1 3.01Å; R472-D533 IonicContact NH2-OD2 3.3Å; R472-D533 PolarHBondContact NH2-OD2 3.41Å; D533-T537 PolarHBondContact O-N 3.3Å; D533-T537 PolarHBondContact O-OG1 3.1Å; D533-T537 VanDerWaalsContact O-OG1 3.13Å; D533-Y561 HydrophobicContact CB-CE1 4.48Å
534	R	94.7	Very high	95.7	Very high	108 Å²	108	23.5 Å²	23.5	41%	0.408	11%	0.111	S	C	.	.	H	α-helix	trans	-68.3	-48.4	175.9	-177.3	178.8	177.8	-177.8	-1.6	111.9	N418 T532 A536 T537 L538	N418-R534 HydrophobicContact CB-CB 4.37Å; N418-R534 WeakPolarHBondContact OD1-CA 3.47Å; T532-R534 PolarHBondContact O-N 3.08Å; R534-A536 VanDerWaalsContact C-N 3.3Å; R534-A536 PolarHBondContact O-N 3.45Å; R534-T537 WeakPolarHBondContact O-CB 3.33Å; R534-T537 PolarHBondContact O-N 2.94Å; R534-T537 VanDerWaalsContact O-N 3.1Å; R534-L538 PolarHBondContact O-N 3.21Å
535	E	96.8	Very high	95.6	Very high	35 Å²	35	29.9 Å²	29.9	16%	0.164	15%	0.145	C	C	.	.	H	α-helix	trans	-65.2	-34.7	178.9	-72.2	165	143.4	0	0	112.1	F508 L531 T532 T537 L538 L539	F508-E535 HydrophobicContact CB-CB 4.37Å; F508-E535 HydrophobicContact CB-CG 4.07Å; F508-E535 WeakPolarHBondContact CB-OE1 3.46Å; F508-E535 HydrophobicContact CD1-CG 4.17Å; F508-E535 HydrophobicContact CD2-CB 3.65Å; F508-E535 HydrophobicContact CD2-CG 3.84Å; F508-E535 HydrophobicContact CE2-CB 4.13Å; F508-E535 HydrophobicContact CE2-CG 4.32Å; F508-E535 HydrophobicContact CG-CB 4.05Å; F508-E535 HydrophobicContact CG-CG 3.75Å; L531-E535 HydrophobicContact CB-CB 3.9Å; L531-E535 HydrophobicContact CD2-CB 4.13Å; L531-E535 HydrophobicContact CG-CB 4.42Å; T532-E535 WeakPolarHBondContact CB-OE2 3.05Å; T532-E535 WeakPolarHBondContact CG2-OE2 3.38Å; T532-E535 PolarHBondContact N-OE2 3.02Å; T532-E535 PolarHBondContact O-N 3.26Å; T532-E535 WeakPolarHBondContact OG1-CB 3.22Å; T532-E535 VanDerWaalsContact OG1-CD 3.31Å; T532-E535 VanDerWaalsContact OG1-CG 3.27Å; T532-E535 WeakPolarHBondContact OG1-CG 3.41Å; T532-E535 PolarHBondContact OG1-N 2.68Å; T532-E535 PolarHBondContact OG1-OE2 2.93Å; E535-T537 PolarHBondContact O-N 2.82Å; E535-L538 PolarHBondContact O-N 3.01Å; E535-L539 PolarHBondContact O-N 3.3Å
536	A	96.4	Very high	95.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-60.7	-35.5	172.2	0	0	0	0	0	111.9	Y477 L531 T532 R534 L539 I559 Y561	Y477-A536 HydrophobicContact CE1-CB 4.18Å; Y477-A536 VanDerWaalsContact CE1-O 3.31Å; Y477-A536 WeakPolarHBondContact CE1-O 3.42Å; L531-A536 HydrophobicContact CD1-CB 4.45Å; T532-A536 WeakPolarHBondContact O-CB 3.21Å; T532-A536 PolarHBondContact O-N 3.37Å; R534-A536 VanDerWaalsContact C-N 3.3Å; R534-A536 PolarHBondContact O-N 3.45Å; A536-L539 WeakPolarHBondContact O-CB 3.36Å; A536-I559 HydrophobicContact CB-CG1 4.44Å; A536-I559 HydrophobicContact CB-CG2 4.35Å; A536-Y561 HydrophobicContact CB-CE1 4.25Å
537	T	92.8	Very high	95.4	Very high	5 Å²	5	40.4 Å²	40.4	3%	0.031	19%	0.186	C	C	.	.	H	α-helix	trans	-67.8	-45.5	173.3	-58.4	0	0	0	0	111.5	Q417 N418 D533 R534 E535 L539 I540 E541	Q417-T537 HydrophobicContact CG-CG2 4.35Å; Q417-T537 WeakPolarHBondContact CG-OG1 3.49Å; N418-T537 PolarHBondContact OD1-OG1 3.14Å; D533-T537 PolarHBondContact O-N 3.3Å; D533-T537 PolarHBondContact O-OG1 3.1Å; D533-T537 VanDerWaalsContact O-OG1 3.13Å; R534-T537 WeakPolarHBondContact O-CB 3.33Å; R534-T537 PolarHBondContact O-N 2.94Å; R534-T537 VanDerWaalsContact O-N 3.1Å; E535-T537 PolarHBondContact O-N 2.82Å; T537-L539 VanDerWaalsContact C-N 3.26Å; T537-L539 PolarHBondContact O-N 3.14Å; T537-I540 PolarHBondContact O-N 2.76Å; T537-I540 VanDerWaalsContact O-N 3.13Å; T537-E541 PolarHBondContact O-N 2.83Å
538	L	94.4	Very high	95.2	Very high	49 Å²	49	43.1 Å²	43.1	26%	0.257	20%	0.2	S	C	.	.	H	α-helix	trans	-63	-31.1	176.9	-65.6	174.7	0	0	0	112.7	F508 R534 E535 I540 E541 Y542	F508-L538 HydrophobicContact CE1-CD1 4.34Å; F508-L538 HydrophobicContact CE2-CB 3.69Å; F508-L538 HydrophobicContact CE2-CD1 4.29Å; F508-L538 HydrophobicContact CZ-CB 3.73Å; F508-L538 HydrophobicContact CZ-CD1 3.71Å; F508-L538 HydrophobicContact CZ-CG 4.38Å; R534-L538 PolarHBondContact O-N 3.21Å; E535-L538 PolarHBondContact O-N 3.01Å; L538-I540 VanDerWaalsContact C-N 3.29Å; L538-I540 PolarHBondContact O-N 2.69Å; L538-E541 PolarHBondContact O-N 3.47Å; L538-Y542 PolarHBondContact O-N 2.98Å
539	L	95.9	Very high	95.1	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-58.3	-40.7	173.4	174.9	68.3	0	0	0	111.8	L511 L529 L531 E535 A536 T537 Y542 I543 Y557 I559	L511-L539 HydrophobicContact CD1-CD1 3.49Å; L511-L539 VanDerWaalsContact CD1-CD1 3.49Å; L511-L539 HydrophobicContact CD2-CD1 4.26Å; L529-L539 HydrophobicContact CD1-CD2 4.32Å; L529-L539 HydrophobicContact CD2-CD1 3.87Å; L529-L539 HydrophobicContact CD2-CD2 3.94Å; L531-L539 HydrophobicContact CD1-CB 4.16Å; L531-L539 HydrophobicContact CD1-CD2 4Å; E535-L539 PolarHBondContact O-N 3.3Å; A536-L539 WeakPolarHBondContact O-CB 3.36Å; T537-L539 VanDerWaalsContact C-N 3.26Å; T537-L539 PolarHBondContact O-N 3.14Å; L539-Y542 WeakPolarHBondContact O-CB 3.39Å; L539-Y542 PolarHBondContact O-N 3.41Å; L539-I543 HydrophobicContact CD1-CD1 3.88Å; L539-I543 HydrophobicContact CD1-CG1 4.19Å; L539-I543 HydrophobicContact CD2-CD1 4.37Å; L539-I543 HydrophobicContact CG-CD1 3.78Å; L539-I543 HydrophobicContact CG-CG1 4.45Å; L539-I543 VanDerWaalsContact O-CG1 3.3Å; L539-I543 WeakPolarHBondContact O-CG1 3.49Å; L539-I543 PolarHBondContact O-N 3.36Å; L539-Y557 HydrophobicContact CD2-CD1 4.49Å; L539-I559 HydrophobicContact CD2-CD1 3.66Å
540	I	93.6	Very high	94.9	Very high	14 Å²	14	46.9 Å²	46.9	7%	0.072	22%	0.218	C	C	.	.	H	α-helix	trans	-65.4	-43.4	178.2	-59.8	-51.6	0	0	0	110.6	Y477 Y478 T537 L538 Y542 I543 T544	Y477-I540 HydrophobicContact CD1-CD1 3.64Å; Y477-I540 HydrophobicContact CD1-CG1 4.24Å; Y477-I540 HydrophobicContact CE1-CD1 3.6Å; Y477-I540 HydrophobicContact CE1-CG1 3.66Å; Y478-I540 HydrophobicContact CD2-CD1 3.71Å; Y478-I540 HydrophobicContact CE2-CD1 4.48Å; Y478-I540 HydrophobicContact CG-CD1 4.45Å; T537-I540 PolarHBondContact O-N 2.76Å; T537-I540 VanDerWaalsContact O-N 3.13Å; L538-I540 VanDerWaalsContact C-N 3.29Å; L538-I540 PolarHBondContact O-N 2.69Å; I540-Y542 VanDerWaalsContact C-N 3.3Å; I540-Y542 PolarHBondContact O-N 3.16Å; I540-I543 PolarHBondContact O-N 3.29Å; I540-T544 HydrophobicContact CG2-CG2 4.15Å; I540-T544 WeakPolarHBondContact O-CB 3.35Å; I540-T544 VanDerWaalsContact O-CG2 3.29Å; I540-T544 WeakPolarHBondContact O-CG2 2.95Å; I540-T544 PolarHBondContact O-N 3.18Å; I540-T544 PolarHBondContact O-OG1 2.85Å
541	E	92	Very high	94.7	Very high	81 Å²	81	51.7 Å²	51.7	38%	0.379	25%	0.245	S	C	.	.	H	α-helix	trans	-60.9	-41.4	175.6	-64.7	177.5	-173.4	0	0	111	T537 L538 T544 N545	T537-E541 PolarHBondContact O-N 2.83Å; L538-E541 PolarHBondContact O-N 3.47Å; E541-T544 WeakPolarHBondContact CA-OG1 3.36Å; E541-T544 PolarHBondContact O-OG1 2.02Å; E541-N545 VanDerWaalsContact O-CB 3.32Å; E541-N545 WeakPolarHBondContact O-CB 3.39Å; E541-N545 VanDerWaalsContact O-CG 3.24Å; E541-N545 PolarHBondContact O-N 2.72Å; E541-N545 VanDerWaalsContact O-N 3.07Å; E541-N545 PolarHBondContact O-ND2 2.88Å
542	Y	94.9	Very high	94.4	Very high	70 Å²	70	52.9 Å²	52.9	28%	0.275	25%	0.249	S	C	.	.	H	α-helix	trans	-62	-49.1	175.5	-176.3	-93.7	0	0	0	112.5	L511 L514 L538 L539 I540 N545 S546 L549	L511-Y542 HydrophobicContact CD1-CD1 3.82Å; L511-Y542 HydrophobicContact CD1-CE1 3.98Å; L511-Y542 HydrophobicContact CD1-CG 4.41Å; L511-Y542 HydrophobicContact CD2-CD1 3.79Å; L511-Y542 HydrophobicContact CD2-CD2 3.85Å; L511-Y542 HydrophobicContact CD2-CE1 4.37Å; L511-Y542 HydrophobicContact CD2-CE2 4.42Å; L511-Y542 HydrophobicContact CD2-CG 3.5Å; L511-Y542 VanDerWaalsContact CD2-CG 3.5Å; L511-Y542 HydrophobicContact CG-CD1 3.63Å; L511-Y542 HydrophobicContact CG-CD2 4.09Å; L511-Y542 HydrophobicContact CG-CE1 3.75Å; L511-Y542 HydrophobicContact CG-CE2 4.19Å; L511-Y542 HydrophobicContact CG-CG 3.82Å; L511-Y542 PolarHBondContact O-OH 2.96Å; L514-Y542 HydrophobicContact CD2-CE1 4.34Å; L538-Y542 PolarHBondContact O-N 2.98Å; L539-Y542 WeakPolarHBondContact O-CB 3.39Å; L539-Y542 PolarHBondContact O-N 3.41Å; I540-Y542 VanDerWaalsContact C-N 3.3Å; I540-Y542 PolarHBondContact O-N 3.16Å; Y542-N545 PolarHBondContact O-N 3.07Å; Y542-S546 PolarHBondContact O-N 2.82Å; Y542-L549 HydrophobicContact CD1-CD1 4.02Å; Y542-L549 HydrophobicContact CE1-CD1 3.57Å
543	I	95.3	Very high	94.3	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-64	-44.1	-179.4	-67.8	165.6	0	0	0	111.1	Y478 L539 I540 N545 S546 L549 Q550 Y557	Y478-I543 HydrophobicContact CD1-CG2 3.92Å; Y478-I543 HydrophobicContact CE1-CG2 3.58Å; Y478-I543 HydrophobicContact CE2-CG2 4.39Å; Y478-I543 HydrophobicContact CG-CD1 4.42Å; Y478-I543 HydrophobicContact CG-CG2 4.45Å; L539-I543 HydrophobicContact CD1-CD1 3.88Å; L539-I543 HydrophobicContact CD1-CG1 4.19Å; L539-I543 HydrophobicContact CD2-CD1 4.37Å; L539-I543 HydrophobicContact CG-CD1 3.78Å; L539-I543 HydrophobicContact CG-CG1 4.45Å; L539-I543 VanDerWaalsContact O-CG1 3.3Å; L539-I543 WeakPolarHBondContact O-CG1 3.49Å; L539-I543 PolarHBondContact O-N 3.36Å; I540-I543 PolarHBondContact O-N 3.29Å; I543-N545 VanDerWaalsContact C-N 3.35Å; I543-S546 PolarHBondContact O-N 2.79Å; I543-L549 HydrophobicContact CG2-CB 4.12Å; I543-Q550 WeakPolarHBondContact O-CB 2.97Å; I543-Q550 PolarHBondContact O-N 3.33Å; I543-Y557 HydrophobicContact CD1-CD1 3.91Å; I543-Y557 HydrophobicContact CD1-CD2 4.16Å; I543-Y557 HydrophobicContact CD1-CE1 3.64Å; I543-Y557 HydrophobicContact CD1-CE2 3.88Å; I543-Y557 HydrophobicContact CD1-CG 4.16Å; I543-Y557 HydrophobicContact CG1-CE1 4.27Å
544	T	92.1	Very high	94.2	Very high	53 Å²	53	53.8 Å²	53.8	33%	0.325	25%	0.254	S	S	.	.	H	α-helix	trans	-69.8	-30	-177.4	50.3	0	0	0	0	112.9	Y478 I540 E541 Q550	Y478-T544 HydrophobicContact CE2-CG2 4.33Å; I540-T544 HydrophobicContact CG2-CG2 4.15Å; I540-T544 WeakPolarHBondContact O-CB 3.35Å; I540-T544 VanDerWaalsContact O-CG2 3.29Å; I540-T544 WeakPolarHBondContact O-CG2 2.95Å; I540-T544 PolarHBondContact O-N 3.18Å; I540-T544 PolarHBondContact O-OG1 2.85Å; E541-T544 WeakPolarHBondContact CA-OG1 3.36Å; E541-T544 PolarHBondContact O-OG1 2.02Å; T544-Q550 PolarHBondContact O-OE1 3.18Å
545	N	93.3	Very high	94.3	Very high	134 Å²	134	48.7 Å²	48.7	72%	0.717	23%	0.234	S	C	*	.	H	α-helix	trans	-80.4	-18.7	174.9	-71.9	-38.3	0	0	0	113.5	E541 Y542 I543	E541-N545 VanDerWaalsContact O-CB 3.32Å; E541-N545 WeakPolarHBondContact O-CB 3.39Å; E541-N545 VanDerWaalsContact O-CG 3.24Å; E541-N545 PolarHBondContact O-N 2.72Å; E541-N545 VanDerWaalsContact O-N 3.07Å; E541-N545 PolarHBondContact O-ND2 2.88Å; Y542-N545 PolarHBondContact O-N 3.07Å; I543-N545 VanDerWaalsContact C-N 3.35Å
546	S	95.5	Very high	94.3	Very high	9 Å²	9	47 Å²	47	6%	0.063	23%	0.227	C	C	.	.			trans	-78.6	124.6	176.5	171.7	0	0	0	0	111.4	E515 Y542 I543 I548 L549 Q550	E515-S546 VanDerWaalsContact OE2-CB 3.24Å; E515-S546 WeakPolarHBondContact OE2-CB 3.08Å; E515-S546 PolarHBondContact OE2-OG 2.84Å; Y542-S546 PolarHBondContact O-N 2.82Å; I543-S546 PolarHBondContact O-N 2.79Å; S546-I548 PolarHBondContact O-N 3.26Å; S546-I548 PolarHBondContact OG-N 2.96Å; S546-L549 WeakPolarHBondContact OG-CG 3.15Å; S546-L549 PolarHBondContact OG-N 3.48Å; S546-Q550 WeakPolarHBondContact O-CB 3.49Å; S546-Q550 WeakPolarHBondContact O-CG 3.43Å; S546-Q550 PolarHBondContact O-N 2.73Å
547	R	94.6	Very high	94.3	Very high	216 Å²	216	47 Å²	47	82%	0.815	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-25.4	176.1	-66.3	-176.9	-179.8	179.8	0.4	113	N551	R547-N551 PolarHBondContact O-ND2 2.83Å
548	I	94	Very high	94.6	Very high	56 Å²	56	46.8 Å²	46.8	29%	0.287	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-56.9	-178.4	-66.1	155.7	0	0	0	109.4	E515 I519 S546 Q550 N551 R552	E515-I548 HydrophobicContact CG-CB 4.42Å; E515-I548 HydrophobicContact CG-CD1 3.88Å; I519-I548 HydrophobicContact CD1-CD1 3.63Å; I519-I548 HydrophobicContact CG1-CD1 3.55Å; S546-I548 PolarHBondContact O-N 3.26Å; S546-I548 PolarHBondContact OG-N 2.96Å; I548-Q550 PolarHBondContact O-N 3.39Å; I548-N551 PolarHBondContact O-N 2.53Å; I548-R552 WeakPolarHBondContact O-CG 3.36Å; I548-R552 PolarHBondContact O-N 3.03Å
549	L	96.2	Very high	94.8	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-66.5	-37	-170.4	-59	173.4	0	0	0	112.7	L514 E515 A518 Y542 I543 S546 N551 R552 I555	L514-L549 HydrophobicContact CD2-CD1 3.69Å; L514-L549 HydrophobicContact CD2-CD2 4.37Å; L514-L549 HydrophobicContact CG-CD1 3.89Å; L514-L549 HydrophobicContact CG-CD2 3.98Å; E515-L549 HydrophobicContact CB-CD1 4.36Å; A518-L549 HydrophobicContact CB-CD2 3.61Å; Y542-L549 HydrophobicContact CD1-CD1 4.02Å; Y542-L549 HydrophobicContact CE1-CD1 3.57Å; I543-L549 HydrophobicContact CG2-CB 4.12Å; S546-L549 WeakPolarHBondContact OG-CG 3.15Å; S546-L549 PolarHBondContact OG-N 3.48Å; L549-N551 PolarHBondContact O-N 3.25Å; L549-N551 VanDerWaalsContact O-N 3.15Å; L549-R552 PolarHBondContact O-N 3.31Å; L549-R552 VanDerWaalsContact O-N 3.11Å; L549-I555 HydrophobicContact CD2-CD1 4.04Å
550	Q	93.9	Very high	94.9	Very high	82 Å²	82	44.5 Å²	44.5	38%	0.383	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-58.6	-30.8	179.6	74.9	-178.4	-30.4	0	0	113	I543 T544 S546 I548	I543-Q550 WeakPolarHBondContact O-CB 2.97Å; I543-Q550 PolarHBondContact O-N 3.33Å; T544-Q550 PolarHBondContact O-OE1 3.18Å; S546-Q550 WeakPolarHBondContact O-CB 3.49Å; S546-Q550 WeakPolarHBondContact O-CG 3.43Å; S546-Q550 PolarHBondContact O-N 2.73Å; I548-Q550 PolarHBondContact O-N 3.39Å
551	N	92.9	Very high	95.1	Very high	121 Å²	121	44.1 Å²	44.1	65%	0.647	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-90	-12.6	-176.4	-70.7	-37	0	0	0	112.6	R547 I548 L549 T553	R547-N551 PolarHBondContact O-ND2 2.83Å; I548-N551 PolarHBondContact O-N 2.53Å; L549-N551 PolarHBondContact O-N 3.25Å; L549-N551 VanDerWaalsContact O-N 3.15Å; N551-T553 PolarHBondContact O-N 3.39Å
552	R	92.6	Very high	95.2	Very high	25 Å²	25	42.7 Å²	42.7	9%	0.094	21%	0.208	C	C	.	.			trans	-90.8	96.2	-177.6	-73	-159.6	62.6	-177.9	-5.3	111.9	A518 W521 L522 G523 I548 L549 N554 I555	A518-R552 VanDerWaalsContact CA-NH1 3.31Å; A518-R552 PolarHBondContact O-NH1 3.15Å; W521-R552 PolarHBondContact O-NH1 3.41Å; W521-R552 PolarHBondContact O-NH2 3.05Å; L522-R552 PolarHBondContact O-NH2 2.77Å; G523-R552 PolarHBondContact O-NH2 3.36Å; I548-R552 WeakPolarHBondContact O-CG 3.36Å; I548-R552 PolarHBondContact O-N 3.03Å; L549-R552 PolarHBondContact O-N 3.31Å; L549-R552 VanDerWaalsContact O-N 3.11Å; R552-N554 VanDerWaalsContact C-N 3.29Å; R552-N554 PolarHBondContact NE-OD1 3.37Å; R552-N554 PolarHBondContact NH2-ND2 2.96Å; R552-N554 PolarHBondContact NH2-OD1 3.42Å; R552-N554 PolarHBondContact O-N 3.11Å; R552-I555 HydrophobicContact CB-CD1 3.82Å; R552-I555 HydrophobicContact CB-CG1 4.11Å; R552-I555 HydrophobicContact CG-CD1 4.47Å
553	T	93	Very high	94.9	Very high	39 Å²	39	41 Å²	41	24%	0.239	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	7.8	175.4	62.9	0	0	0	0	114.1	K479 N481 N551	K479-T553 HydrophobicContact CD-CG2 3.94Å; K479-T553 HydrophobicContact CG-CG2 4.22Å; N481-T553 PolarHBondContact N-O 3.32Å; N551-T553 PolarHBondContact O-N 3.39Å
554	N	93.5	Very high	94.5	Very high	33 Å²	33	42.2 Å²	42.2	18%	0.176	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	16.2	176.6	69.6	-21.3	0	0	0	112.9	L522 G523 P524 M525 R552	L522-N554 PolarHBondContact O-ND2 3.04Å; G523-N554 PolarHBondContact O-ND2 2.9Å; P524-N554 WeakPolarHBondContact CA-O 3.4Å; M525-N554 PolarHBondContact N-O 2.81Å; R552-N554 VanDerWaalsContact C-N 3.29Å; R552-N554 PolarHBondContact NE-OD1 3.37Å; R552-N554 PolarHBondContact NH2-ND2 2.96Å; R552-N554 PolarHBondContact NH2-OD1 3.42Å; R552-N554 PolarHBondContact O-N 3.11Å
555	I	96	Very high	94.4	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	113.2	174.8	-55.4	178.4	0	0	0	108.8	A518 M525 L527 L549 R552 Y557	A518-I555 HydrophobicContact CB-CD1 4.12Å; M525-I555 HydrophobicContact CB-CB 4.38Å; M525-I555 HydrophobicContact CB-CG1 4.15Å; M525-I555 HydrophobicContact CB-CG2 4.06Å; M525-I555 HydrophobicContact CG-CG1 4.36Å; M525-I555 HydrophobicContact SD-CD1 3.88Å; M525-I555 HydrophobicContact SD-CG1 3.9Å; L527-I555 HydrophobicContact CD1-CG2 3.72Å; L527-I555 HydrophobicContact CG-CG2 4.27Å; L549-I555 HydrophobicContact CD2-CD1 4.04Å; R552-I555 HydrophobicContact CB-CD1 3.82Å; R552-I555 HydrophobicContact CB-CG1 4.11Å; R552-I555 HydrophobicContact CG-CD1 4.47Å; I555-Y557 HydrophobicContact CB-CD2 4.49Å; I555-Y557 HydrophobicContact CB-CE2 3.76Å; I555-Y557 HydrophobicContact CG2-CD1 4.31Å; I555-Y557 HydrophobicContact CG2-CD2 4.09Å; I555-Y557 HydrophobicContact CG2-CE1 3.76Å; I555-Y557 HydrophobicContact CG2-CE2 3.55Å; I555-Y557 HydrophobicContact CG2-CG 4.47Å; I555-Y557 VanDerWaalsContact O-CD2 3.3Å; I555-Y557 WeakPolarHBondContact O-CD2 3.47Å; I555-Y557 WeakPolarHBondContact O-CE2 3.32Å
556	G	96.8	Very high	94.4	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.01	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	114.7	173.3	0	0	0	0	0	110.4	M525 L527 H558	M525-G556 PolarHBondContact O-N 3.46Å; L527-G556 PolarHBondContact N-O 3.09Å; G556-H558 PolarHBondContact O-CD2 3.23Å; G556-H558 PolarHBondContact O-NE2 2.81Å
557	Y	98.1	Very high	94.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	114.5	174.5	-60.2	-87.5	0	0	0	109.3	Y476 Y477 Y478 L514 L527 L529 L539 I543 I555	Y476-Y557 CarbonylContact C-O 3.59Å; Y476-Y557 VanDerWaalsContact CA-O 3.31Å; Y476-Y557 WeakPolarHBondContact CA-O 3.2Å; Y476-Y557 PolarHBondContact N-O 3.32Å; Y477-Y557 PolarHBondContact N-O 3.47Å; Y478-Y557 HydrophobicContact CD1-CE2 4.31Å; L514-Y557 HydrophobicContact CD1-CE1 4.38Å; L514-Y557 HydrophobicContact CD2-CE1 3.71Å; L527-Y557 HydrophobicContact CD1-CE1 4.33Å; L529-Y557 HydrophobicContact CD1-CD1 4.05Å; L539-Y557 HydrophobicContact CD2-CD1 4.49Å; I543-Y557 HydrophobicContact CD1-CD1 3.91Å; I543-Y557 HydrophobicContact CD1-CD2 4.16Å; I543-Y557 HydrophobicContact CD1-CE1 3.64Å; I543-Y557 HydrophobicContact CD1-CE2 3.88Å; I543-Y557 HydrophobicContact CD1-CG 4.16Å; I543-Y557 HydrophobicContact CG1-CE1 4.27Å; I555-Y557 HydrophobicContact CB-CD2 4.49Å; I555-Y557 HydrophobicContact CB-CE2 3.76Å; I555-Y557 HydrophobicContact CG2-CD1 4.31Å; I555-Y557 HydrophobicContact CG2-CD2 4.09Å; I555-Y557 HydrophobicContact CG2-CE1 3.76Å; I555-Y557 HydrophobicContact CG2-CE2 3.55Å; I555-Y557 HydrophobicContact CG2-CG 4.47Å; I555-Y557 VanDerWaalsContact O-CD2 3.3Å; I555-Y557 WeakPolarHBondContact O-CD2 3.47Å; I555-Y557 WeakPolarHBondContact O-CE2 3.32Å
558	H	98.4	Very high	94.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	108.7	-177.1	-48.5	-68.6	0	0	0	109.5	P475 Y476 S526 L527 A528 L529 G556 I575 Y579	P475-H558 WeakPolarHBondContact CA-ND1 3.3Å; Y476-H558 AromaticContact CD1-CE1 3.71Å; Y476-H558 AromaticContact CE1-CE1 3.64Å; Y476-H558 AromaticContact CG-CE1 3.98Å; Y476-H558 AromaticContact CZ-CE1 3.8Å; Y476-H558 PolarHBondContact N-ND1 3.06Å; S526-H558 PolarHBondContact OG-CD2 3.46Å; S526-H558 PolarHBondContact OG-NE2 2.79Å; S526-H558 VanDerWaalsContact OG-NE2 3.16Å; L527-H558 PolarHBondContact O-CD2 3.49Å; L527-H558 PolarHBondContact O-N 3.48Å; A528-H558 CarbonylContact C-O 3.59Å; A528-H558 WeakPolarHBondContact CA-O 3.45Å; L529-H558 PolarHBondContact N-O 3.5Å; G556-H558 PolarHBondContact O-CD2 3.23Å; G556-H558 PolarHBondContact O-NE2 2.81Å; H558-I575 HydrophobicContact CB-CG2 3.84Å; H558-Y579 WeakPolarHBondContact CE1-CB 3.26Å; H558-Y579 AromaticContact CE1-CG 3.9Å; H558-Y579 AromaticContact ND1-CD2 3.97Å; H558-Y579 AromaticContact ND1-CG 3.81Å; H558-Y579 WeakPolarHBondContact NE2-CB 3.43Å
559	I	98.3	Very high	94.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	130.2	179.5	-52.7	-48.3	0	0	0	109.3	I473 H474 Y477 L529 L531 A536 L539 Y561	I473-I559 CarbonylContact C-O 3.53Å; I473-I559 VanDerWaalsContact CA-O 3.3Å; I473-I559 WeakPolarHBondContact CA-O 3.24Å; H474-I559 HydrophobicContact CB-CB 4.25Å; H474-I559 PolarHBondContact N-O 3.24Å; H474-I559 PolarHBondContact O-N 3.43Å; Y477-I559 HydrophobicContact CD1-CD1 4.37Å; Y477-I559 HydrophobicContact CD1-CG1 3.98Å; Y477-I559 HydrophobicContact CD2-CG1 3.81Å; Y477-I559 HydrophobicContact CE2-CG1 4.42Å; Y477-I559 HydrophobicContact CG-CD1 4.34Å; Y477-I559 HydrophobicContact CG-CG1 3.57Å; L529-I559 HydrophobicContact CB-CD1 3.94Å; L529-I559 HydrophobicContact CD1-CD1 4.04Å; L529-I559 WeakPolarHBondContact O-CA 3.48Å; L531-I559 HydrophobicContact CB-CG2 4.25Å; L531-I559 HydrophobicContact CD1-CD1 3.74Å; L531-I559 HydrophobicContact CG-CD1 4.48Å; A536-I559 HydrophobicContact CB-CG1 4.44Å; A536-I559 HydrophobicContact CB-CG2 4.35Å; L539-I559 HydrophobicContact CD2-CD1 3.66Å; I559-Y561 HydrophobicContact CG2-CD1 4.02Å; I559-Y561 HydrophobicContact CG2-CD2 4.2Å; I559-Y561 HydrophobicContact CG2-CE1 3.87Å; I559-Y561 HydrophobicContact CG2-CE2 4.07Å; I559-Y561 HydrophobicContact CG2-CG 4.18Å
560	V	97.9	Very high	94.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	113.3	163.6	-177.5	0	0	0	0	105.9	H471 I473 L529 Y530 L531 L572 I575	H471-V560 HydrophobicContact CB-CG1 3.6Å; I473-V560 HydrophobicContact CG1-CG1 4.33Å; I473-V560 HydrophobicContact CG1-CG2 4.19Å; L529-V560 PolarHBondContact O-N 3.01Å; Y530-V560 WeakPolarHBondContact CA-O 3.33Å; Y530-V560 HydrophobicContact CD2-CB 4.32Å; Y530-V560 HydrophobicContact CD2-CG1 4.16Å; Y530-V560 WeakPolarHBondContact CD2-O 3.48Å; Y530-V560 HydrophobicContact CE2-CG1 4.48Å; L531-V560 PolarHBondContact N-O 2.92Å; L531-V560 VanDerWaalsContact N-O 3.14Å; V560-L572 HydrophobicContact CB-CD2 3.61Å; V560-L572 HydrophobicContact CG1-CD2 4.19Å; V560-L572 HydrophobicContact CG2-CD2 3.56Å; V560-I575 HydrophobicContact CG2-CB 4.44Å; V560-I575 HydrophobicContact CG2-CG1 4.22Å; V560-I575 HydrophobicContact CG2-CG2 4.17Å
561	Y	96.9	Very high	94.6	Very high	7 Å²	7	24.8 Å²	24.8	3%	0.027	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	140.1	-174.5	-68.1	-84.4	0	0	0	110.9	L166 H471 R472 H474 L531 D533 A536 I559 D563	L166-Y561 HydrophobicContact CD1-CE2 4.36Å; H471-Y561 PolarHBondContact ND1-O 3.38Å; R472-Y561 HydrophobicContact CB-CD2 3.87Å; R472-Y561 HydrophobicContact CG-CD2 3.73Å; R472-Y561 HydrophobicContact CG-CE2 4.15Å; R472-Y561 VanDerWaalsContact NE-CD2 3.29Å; R472-Y561 VanDerWaalsContact NH2-CE1 3.28Å; R472-Y561 VanDerWaalsContact NH2-CG 3.32Å; R472-Y561 WeakPolarHBondContact O-CD2 3.49Å; R472-Y561 PolarHBondContact O-N 3.45Å; H474-Y561 HydrophobicContact CB-CE2 3.89Å; L531-Y561 VanDerWaalsContact O-CA 3.25Å; L531-Y561 WeakPolarHBondContact O-CA 3.3Å; D533-Y561 HydrophobicContact CB-CE1 4.48Å; A536-Y561 HydrophobicContact CB-CE1 4.25Å; I559-Y561 HydrophobicContact CG2-CD1 4.02Å; I559-Y561 HydrophobicContact CG2-CD2 4.2Å; I559-Y561 HydrophobicContact CG2-CE1 3.87Å; I559-Y561 HydrophobicContact CG2-CE2 4.07Å; I559-Y561 HydrophobicContact CG2-CG 4.18Å; Y561-D563 PolarHBondContact O-N 3.31Å; Y561-D563 VanDerWaalsContact O-N 3.14Å
562	V	94.4	Very high	94.8	Very high	50 Å²	50	19 Å²	19	30%	0.303	10%	0.101	S	C	.	.			trans	-59	117	176.6	177.1	0	0	0	0	109.5	Y530 L531 T532	Y530-V562 HydrophobicContact CD1-CG2 3.85Å; Y530-V562 HydrophobicContact CD2-CG2 4.39Å; Y530-V562 HydrophobicContact CE1-CB 4.24Å; Y530-V562 HydrophobicContact CE1-CG1 4.09Å; Y530-V562 HydrophobicContact CE1-CG2 3.7Å; Y530-V562 HydrophobicContact CE2-CB 4.43Å; Y530-V562 HydrophobicContact CE2-CG2 4.27Å; Y530-V562 HydrophobicContact CG-CG2 4.21Å; L531-V562 PolarHBondContact O-N 3.23Å; L531-V562 VanDerWaalsContact O-N 3.12Å; T532-V562 HydrophobicContact CG2-CB 4.16Å; T532-V562 HydrophobicContact CG2-CG2 4.1Å
563	D	88.3	Confident	95.1	Very high	35 Å²	35	18 Å²	18	19%	0.187	10%	0.097	C	C	.	.			trans	-156.1	86.7	173.8	179.5	12.5	0	0	0	109	T422 K469 H471 Y530 Y561	T422-D563 HydrophobicContact CG2-CB 4.46Å; K469-D563 VanDerWaalsContact CD-O 3.3Å; K469-D563 WeakPolarHBondContact CD-O 3.49Å; K469-D563 IonicContact NZ-OD1 3.82Å; K469-D563 PolarHBondContact NZ-OD1 3.43Å; H471-D563 PolarHBondContact CE1-O 3.04Å; H471-D563 PolarHBondContact ND1-O 3.02Å; Y530-D563 PolarHBondContact OH-N 2.65Å; Y561-D563 PolarHBondContact O-N 3.31Å; Y561-D563 VanDerWaalsContact O-N 3.14Å
564	G	87.9	Confident	95.3	Very high	25 Å²	25	16.4 Å²	16.4	26%	0.258	9%	0.088	S	C	.	.	S	Bend	trans	156.8	163.7	-172	0	0	0	0	0	112.1	D466	D466-G564 WeakPolarHBondContact OD1-CA 3.2Å
565	K	89.6	Confident	95.5	Very high	103 Å²	103	15.5 Å²	15.5	45%	0.448	8%	0.082	S	C	.	.	S	Bend	trans	-90.6	-26.3	172.8	-66.1	176.5	178.7	171.4	0	112.5	E462 D466 R745	E462-K565 IonicContact OE1-NZ 2.63Å; E462-K565 PolarHBondContact OE1-NZ 3.39Å; D466-K565 PolarHBondContact OD1-N 3.16Å; D466-K565 WeakPolarHBondContact OD2-CA 3.44Å; D466-K565 PolarHBondContact OD2-N 3.47Å; K565-R745 PolarHBondContact O-NH1 3Å
566	F	93	Very high	95.6	Very high	4 Å²	4	15.5 Å²	15.5	2%	0.018	8%	0.082	C	C	.	.	S	Bend	trans	-110	148.9	-177.4	-62.3	-84.1	0	0	0	111.2	E462 F463 D466 P568 I704 Y752	E462-F566 HydrophobicContact CB-CE2 3.78Å; E462-F566 HydrophobicContact CB-CZ 4.14Å; F463-F566 HydrophobicContact CD2-CE1 4.33Å; F463-F566 AromaticContact CD2-CE2 3.98Å; F463-F566 HydrophobicContact CD2-CE2 3.98Å; F463-F566 AromaticContact CD2-CZ 3.68Å; F463-F566 HydrophobicContact CD2-CZ 3.68Å; F463-F566 AromaticContact CE2-CE1 3.66Å; F463-F566 HydrophobicContact CE2-CE1 3.66Å; F463-F566 HydrophobicContact CE2-CE2 4.15Å; F463-F566 AromaticContact CE2-CZ 3.42Å; F463-F566 HydrophobicContact CE2-CZ 3.42Å; F463-F566 VanDerWaalsContact CE2-CZ 3.42Å; F463-F566 HydrophobicContact CG-CE2 4.36Å; F463-F566 HydrophobicContact CG-CZ 4.41Å; F463-F566 HydrophobicContact CZ-CD1 4.31Å; F463-F566 AromaticContact CZ-CE1 3.76Å; F463-F566 HydrophobicContact CZ-CE1 3.76Å; F463-F566 AromaticContact CZ-CZ 3.96Å; F463-F566 HydrophobicContact CZ-CZ 3.96Å; D466-F566 HydrophobicContact CB-CD2 4.2Å; D466-F566 WeakPolarHBondContact OD2-CD2 3.42Å; D466-F566 PolarHBondContact OD2-N 3.42Å; F566-P568 VanDerWaalsContact O-CD 3.27Å; F566-P568 WeakPolarHBondContact O-CD 3.47Å; F566-I704 HydrophobicContact CB-CB 4.22Å; F566-I704 HydrophobicContact CB-CD1 3.86Å; F566-I704 HydrophobicContact CB-CG1 4.07Å; F566-I704 HydrophobicContact CD2-CD1 3.73Å; F566-I704 HydrophobicContact CG-CD1 3.92Å; F566-I704 HydrophobicContact CG-CG1 4.28Å; F566-Y752 AromaticContact CD1-CE2 3.79Å; F566-Y752 HydrophobicContact CD1-CE2 3.79Å; F566-Y752 AromaticContact CE1-CD2 3.78Å; F566-Y752 HydrophobicContact CE1-CD2 3.78Å; F566-Y752 AromaticContact CE1-CE2 3.47Å; F566-Y752 HydrophobicContact CE1-CE2 3.47Å; F566-Y752 VanDerWaalsContact CE1-CE2 3.47Å
567	Y	94.7	Very high	95.7	Very high	30 Å²	30	15.6 Å²	15.6	12%	0.118	8%	0.083	C	C	.	.			trans	-66.6	116.2	172.8	-170.3	-121.3	0	0	0	112.2	Q505 T507 Y530 I569 L572 G705 E742	Q505-Y567 PolarHBondContact OE1-OH 3.28Å; T507-Y567 HydrophobicContact CG2-CD2 3.94Å; T507-Y567 HydrophobicContact CG2-CE2 3.29Å; Y530-Y567 AromaticContact CD1-CD2 3.68Å; Y530-Y567 HydrophobicContact CD1-CD2 3.68Å; Y530-Y567 AromaticContact CD1-CE2 3.77Å; Y530-Y567 HydrophobicContact CD1-CE2 3.77Å; Y530-Y567 HydrophobicContact CE1-CD2 4.21Å; Y530-Y567 HydrophobicContact CG-CD2 4.2Å; Y530-Y567 AromaticContact CG-CE2 3.93Å; Y530-Y567 HydrophobicContact CG-CE2 3.93Å; Y567-I569 HydrophobicContact CD1-CB 3.76Å; Y567-I569 HydrophobicContact CD1-CG1 4.24Å; Y567-I569 HydrophobicContact CE1-CB 3.96Å; Y567-I569 HydrophobicContact CE1-CD1 4.41Å; Y567-I569 HydrophobicContact CE1-CG1 4Å; Y567-I569 PolarHBondContact O-N 2.83Å; Y567-L572 HydrophobicContact CD2-CD1 4.13Å; Y567-L572 HydrophobicContact CE1-CD1 3.81Å; Y567-L572 HydrophobicContact CE2-CD1 3.35Å; Y567-L572 VanDerWaalsContact OH-CD1 3.25Å; Y567-L572 WeakPolarHBondContact OH-CD1 3.42Å; Y567-G705 WeakPolarHBondContact O-CA 3.44Å; Y567-G705 PolarHBondContact O-N 2.98Å; Y567-E742 PolarHBondContact N-OE1 2.84Å
568	P	95.4	Very high	95.6	Very high	3 Å²	3	21.2 Å²	21.2	2%	0.019	11%	0.107	C	C	.	.			trans	-82.8	59.4	-173.8	35.6	-37.1	0	0	0	111.7	Y530 F566 N570 I571 L572	Y530-P568 HydrophobicContact CD2-CG 3.87Å; Y530-P568 HydrophobicContact CE2-CG 3.54Å; F566-P568 VanDerWaalsContact O-CD 3.27Å; F566-P568 WeakPolarHBondContact O-CD 3.47Å; P568-N570 VanDerWaalsContact C-N 3.35Å; P568-N570 PolarHBondContact O-N 2.81Å; P568-I571 HydrophobicContact CB-CB 4.17Å; P568-I571 HydrophobicContact CB-CD1 4.05Å; P568-I571 HydrophobicContact CB-CG1 4.43Å; P568-I571 WeakPolarHBondContact O-CB 3.36Å; P568-I571 PolarHBondContact O-N 3.35Å; P568-I571 VanDerWaalsContact O-N 3.1Å; P568-L572 HydrophobicContact CG-CD1 4.3Å; P568-L572 HydrophobicContact CG-CG 4.36Å; P568-L572 WeakPolarHBondContact O-CG 3.49Å; P568-L572 PolarHBondContact O-N 3Å
569	I	95.6	Very high	95.5	Very high	15 Å²	15	22 Å²	22	8%	0.077	11%	0.11	C	C	.	.	H	α-helix	trans	-53.6	-44.4	-166.9	-168.4	168.7	0	0	0	114	Q505 Y567 L572 R573 N709	Q505-I569 HydrophobicContact CG-CG1 4.44Å; Y567-I569 HydrophobicContact CD1-CB 3.76Å; Y567-I569 HydrophobicContact CD1-CG1 4.24Å; Y567-I569 HydrophobicContact CE1-CB 3.96Å; Y567-I569 HydrophobicContact CE1-CD1 4.41Å; Y567-I569 HydrophobicContact CE1-CG1 4Å; Y567-I569 PolarHBondContact O-N 2.83Å; I569-L572 WeakPolarHBondContact O-CB 3.5Å; I569-L572 PolarHBondContact O-N 3.42Å; I569-R573 WeakPolarHBondContact O-CG 3.06Å; I569-R573 PolarHBondContact O-N 3.45Å; I569-N709 HydrophobicContact CG2-CB 3.7Å
570	N	96.5	Very high	95.4	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-76.5	-30.4	-177.3	-79.8	-4.5	0	0	0	112.5	P568 R573 N574 F699 D700 N709	P568-N570 VanDerWaalsContact C-N 3.35Å; P568-N570 PolarHBondContact O-N 2.81Å; N570-R573 PolarHBondContact O-N 2.78Å; N570-R573 PolarHBondContact OD1-NH1 3.44Å; N570-R573 VanDerWaalsContact OD1-NH1 3.08Å; N570-N574 WeakPolarHBondContact O-CB 3.08Å; N570-N574 PolarHBondContact O-N 3.48Å; N570-N574 PolarHBondContact O-ND2 3.3Å; N570-F699 HydrophobicContact CB-CB 3.77Å; N570-F699 WeakPolarHBondContact OD1-CD1 3.26Å; N570-D700 WeakPolarHBondContact CB-O 3.48Å; N570-D700 PolarHBondContact ND2-O 2.94Å; N570-N709 PolarHBondContact ND2-O 3.21Å; N570-N709 PolarHBondContact OD1-O 2.87Å
571	I	96.6	Very high	95	Very high	29 Å²	29	24 Å²	24	15%	0.149	12%	0.122	C	C	.	.	H	α-helix	trans	-61.6	-47.2	168.5	-64.3	175.5	0	0	0	109.2	P568 R573 N574 I575 E701	P568-I571 HydrophobicContact CB-CB 4.17Å; P568-I571 HydrophobicContact CB-CD1 4.05Å; P568-I571 HydrophobicContact CB-CG1 4.43Å; P568-I571 WeakPolarHBondContact O-CB 3.36Å; P568-I571 PolarHBondContact O-N 3.35Å; P568-I571 VanDerWaalsContact O-N 3.1Å; I571-R573 PolarHBondContact O-N 3.13Å; I571-N574 PolarHBondContact O-N 3.22Å; I571-I575 HydrophobicContact CG2-CG1 4.24Å; I571-I575 VanDerWaalsContact O-CG1 3.29Å; I571-I575 WeakPolarHBondContact O-CG1 3.25Å; I571-I575 PolarHBondContact O-N 2.91Å; I571-E701 HydrophobicContact CG1-CB 4.08Å; I571-E701 HydrophobicContact CG1-CG 3.92Å
572	L	98.1	Very high	94.8	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-59.5	-45.9	178.8	-65.6	162.7	0	0	0	111.8	Q505 A528 Y530 V560 Y567 P568 I569 N574 I575 A576	Q505-L572 HydrophobicContact CB-CB 3.69Å; Q505-L572 HydrophobicContact CG-CB 4.37Å; A528-L572 HydrophobicContact CB-CB 3.99Å; A528-L572 HydrophobicContact CB-CD2 4.01Å; A528-L572 WeakPolarHBondContact CB-O 2.98Å; Y530-L572 HydrophobicContact CD2-CD2 4.37Å; Y530-L572 HydrophobicContact CG-CD1 4.38Å; V560-L572 HydrophobicContact CB-CD2 3.61Å; V560-L572 HydrophobicContact CG1-CD2 4.19Å; V560-L572 HydrophobicContact CG2-CD2 3.56Å; Y567-L572 HydrophobicContact CD2-CD1 4.13Å; Y567-L572 HydrophobicContact CE1-CD1 3.81Å; Y567-L572 HydrophobicContact CE2-CD1 3.35Å; Y567-L572 VanDerWaalsContact OH-CD1 3.25Å; Y567-L572 WeakPolarHBondContact OH-CD1 3.42Å; P568-L572 HydrophobicContact CG-CD1 4.3Å; P568-L572 HydrophobicContact CG-CG 4.36Å; P568-L572 WeakPolarHBondContact O-CG 3.49Å; P568-L572 PolarHBondContact O-N 3Å; I569-L572 WeakPolarHBondContact O-CB 3.5Å; I569-L572 PolarHBondContact O-N 3.42Å; L572-N574 PolarHBondContact O-N 3.42Å; L572-I575 PolarHBondContact O-N 3.29Å; L572-A576 WeakPolarHBondContact O-CB 3.36Å; L572-A576 PolarHBondContact O-N 3.06Å
573	R	97.8	Very high	94.6	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.008	13%	0.131	C	C	.	.	H	α-helix	trans	-58.1	-48.3	174.2	-70.5	174.9	170.9	151.1	-3.1	111.6	Q505 I569 N570 I571 I575 A576 I577 H587 D589 F699 N709	Q505-R573 HydrophobicContact CG-CG 3.96Å; I569-R573 WeakPolarHBondContact O-CG 3.06Å; I569-R573 PolarHBondContact O-N 3.45Å; N570-R573 PolarHBondContact O-N 2.78Å; N570-R573 PolarHBondContact OD1-NH1 3.44Å; N570-R573 VanDerWaalsContact OD1-NH1 3.08Å; I571-R573 PolarHBondContact O-N 3.13Å; R573-I575 VanDerWaalsContact C-N 3.34Å; R573-I575 PolarHBondContact O-N 3.1Å; R573-A576 PolarHBondContact O-N 3.29Å; R573-I577 VanDerWaalsContact O-CG1 3.31Å; R573-I577 WeakPolarHBondContact O-CG1 3.35Å; R573-I577 PolarHBondContact O-N 2.89Å; R573-H587 VanDerWaalsContact CD-NE2 3.25Å; R573-H587 WeakPolarHBondContact CD-NE2 3.35Å; R573-H587 WeakPolarHBondContact CG-NE2 3.46Å; R573-H587 PolarHBondContact NE-CE1 3.17Å; R573-H587 VanDerWaalsContact NE-CE1 3.33Å; R573-H587 PolarHBondContact NE-NE2 2.89Å; R573-D589 IonicContact NH2-OD1 2.79Å; R573-D589 PolarHBondContact NH2-OD1 3.48Å; R573-F699 HydrophobicContact CB-CD2 3.79Å; R573-F699 HydrophobicContact CB-CE2 4.08Å; R573-F699 HydrophobicContact CB-CG 4.1Å; R573-N709 PolarHBondContact NH1-OD1 2.84Å; R573-N709 PolarHBondContact NH2-OD1 3.2Å
574	N	98	Very high	94.8	Very high	7 Å²	7	25.3 Å²	25.3	4%	0.037	12%	0.123	C	C	.	.	H	α-helix	trans	-62.9	-37.9	178.9	-71.8	-13.7	0	0	0	112.5	N570 I571 L572 I577 K578 M698 F699 E701	N570-N574 WeakPolarHBondContact O-CB 3.08Å; N570-N574 PolarHBondContact O-N 3.48Å; N570-N574 PolarHBondContact O-ND2 3.3Å; I571-N574 PolarHBondContact O-N 3.22Å; L572-N574 PolarHBondContact O-N 3.42Å; N574-I577 PolarHBondContact O-N 3.3Å; N574-K578 WeakPolarHBondContact O-CB 3.29Å; N574-K578 PolarHBondContact O-N 3.23Å; N574-M698 HydrophobicContact CB-CE 4.09Å; N574-F699 PolarHBondContact ND2-O 3.48Å; N574-F699 WeakPolarHBondContact OD1-CB 3.4Å; N574-F699 PolarHBondContact OD1-N 2.91Å; N574-E701 VanDerWaalsContact ND2-CG 3.33Å; N574-E701 WeakPolarHBondContact ND2-CG 3.31Å; N574-E701 PolarHBondContact ND2-OE1 2.85Å; N574-E701 VanDerWaalsContact ND2-OE1 3.09Å
575	I	98.1	Very high	95.2	Very high	13 Å²	13	24.2 Å²	24.2	7%	0.067	11%	0.111	C	C	.	.	H	α-helix	trans	-63.8	-46.7	173.9	-69.4	-57.6	0	0	0	110.5	I473 A528 H558 V560 I571 L572 R573 I577 K578 Y579	I473-I575 HydrophobicContact CD1-CD1 3.57Å; I473-I575 HydrophobicContact CD1-CG1 4.15Å; I473-I575 HydrophobicContact CG1-CD1 4.42Å; I473-I575 HydrophobicContact CG2-CD1 4.31Å; I473-I575 HydrophobicContact CG2-CG2 4.32Å; A528-I575 HydrophobicContact CB-CB 4.37Å; A528-I575 HydrophobicContact CB-CG2 4.22Å; H558-I575 HydrophobicContact CB-CG2 3.84Å; V560-I575 HydrophobicContact CG2-CB 4.44Å; V560-I575 HydrophobicContact CG2-CG1 4.22Å; V560-I575 HydrophobicContact CG2-CG2 4.17Å; I571-I575 HydrophobicContact CG2-CG1 4.24Å; I571-I575 VanDerWaalsContact O-CG1 3.29Å; I571-I575 WeakPolarHBondContact O-CG1 3.25Å; I571-I575 PolarHBondContact O-N 2.91Å; L572-I575 PolarHBondContact O-N 3.29Å; R573-I575 VanDerWaalsContact C-N 3.34Å; R573-I575 PolarHBondContact O-N 3.1Å; I575-I577 VanDerWaalsContact C-N 3.32Å; I575-I577 PolarHBondContact O-N 3.4Å; I575-K578 PolarHBondContact O-N 2.95Å; I575-Y579 HydrophobicContact CD1-CE2 4.25Å; I575-Y579 HydrophobicContact CG2-CD2 3.89Å; I575-Y579 HydrophobicContact CG2-CE2 4.08Å; I575-Y579 VanDerWaalsContact O-CD2 3.25Å; I575-Y579 WeakPolarHBondContact O-CD2 3.49Å; I575-Y579 PolarHBondContact O-N 3.43Å
576	A	98.4	Very high	95.6	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-62.3	-38.4	176.7	0	0	0	0	0	111.8	V503 S504 S526 A528 L572 R573 S580	V503-A576 HydrophobicContact CG1-CB 3.41Å; V503-A576 VanDerWaalsContact CG1-CB 3.41Å; S504-A576 WeakPolarHBondContact O-CB 3.25Å; S526-A576 VanDerWaalsContact CB-O 3.26Å; S526-A576 WeakPolarHBondContact CB-O 3.39Å; S526-A576 PolarHBondContact OG-O 3.28Å; A528-A576 HydrophobicContact CB-CB 3.94Å; L572-A576 WeakPolarHBondContact O-CB 3.36Å; L572-A576 PolarHBondContact O-N 3.06Å; R573-A576 PolarHBondContact O-N 3.29Å; A576-S580 PolarHBondContact O-N 3.2Å; A576-S580 VanDerWaalsContact O-N 3.12Å
577	I	97.9	Very high	95.7	Very high	4 Å²	4	19.2 Å²	19.2	2%	0.021	9%	0.09	C	C	.	.	H	α-helix	trans	-65.3	-50.7	172.9	-66.5	173.5	0	0	0	111	V503 R573 N574 I575 Y579 S580 I585 R694 M698 F699	V503-I577 HydrophobicContact CG1-CG1 3.86Å; R573-I577 VanDerWaalsContact O-CG1 3.31Å; R573-I577 WeakPolarHBondContact O-CG1 3.35Å; R573-I577 PolarHBondContact O-N 2.89Å; N574-I577 PolarHBondContact O-N 3.3Å; I575-I577 VanDerWaalsContact C-N 3.32Å; I575-I577 PolarHBondContact O-N 3.4Å; I577-Y579 VanDerWaalsContact C-N 3.27Å; I577-Y579 PolarHBondContact O-N 3.36Å; I577-S580 WeakPolarHBondContact O-CB 3.33Å; I577-S580 PolarHBondContact O-N 3.15Å; I577-S580 PolarHBondContact O-OG 3.18Å; I577-I585 HydrophobicContact CB-CD1 4.47Å; I577-I585 HydrophobicContact CD1-CD1 3.7Å; I577-I585 HydrophobicContact CG1-CD1 3.64Å; I577-I585 HydrophobicContact CG2-CD1 4.09Å; I577-R694 HydrophobicContact CG2-CG 4.09Å; I577-M698 HydrophobicContact CB-CE 4.34Å; I577-M698 HydrophobicContact CB-SD 4.22Å; I577-M698 HydrophobicContact CD1-SD 4.33Å; I577-M698 HydrophobicContact CG2-CE 4.13Å; I577-M698 HydrophobicContact CG2-SD 3.79Å; I577-F699 HydrophobicContact CD1-CD2 3.9Å; I577-F699 HydrophobicContact CD1-CE2 3.79Å
578	K	96.7	Very high	95.8	Very high	117 Å²	117	17.8 Å²	17.8	51%	0.509	8%	0.084	S	C	.	.	H	α-helix	trans	-55.8	-41.5	-176	178.6	-179.1	178.6	-173.3	0	112.3	N574 I575 M698	N574-K578 WeakPolarHBondContact O-CB 3.29Å; N574-K578 PolarHBondContact O-N 3.23Å; I575-K578 PolarHBondContact O-N 2.95Å; K578-M698 HydrophobicContact CB-CE 4.36Å
579	Y	96	Very high	95.8	Very high	18 Å²	18	18.9 Å²	18.9	7%	0.071	9%	0.09	C	C	.	.	H	α-helix	trans	-95.6	4.1	180	-62.3	-72	0	0	0	114.2	T165 P475 Y476 H558 I575 I577	T165-Y579 WeakPolarHBondContact CB-OH 3.41Å; T165-Y579 WeakPolarHBondContact CG2-OH 3.37Å; T165-Y579 PolarHBondContact OG1-OH 3.46Å; P475-Y579 HydrophobicContact CB-CD1 3.84Å; P475-Y579 HydrophobicContact CB-CD2 3.99Å; P475-Y579 HydrophobicContact CB-CE1 3.71Å; P475-Y579 HydrophobicContact CB-CE2 3.92Å; P475-Y579 HydrophobicContact CB-CG 4Å; P475-Y579 HydrophobicContact CG-CD1 4.26Å; P475-Y579 HydrophobicContact CG-CD2 4.15Å; P475-Y579 HydrophobicContact CG-CE1 3.64Å; P475-Y579 HydrophobicContact CG-CE2 3.56Å; Y476-Y579 HydrophobicContact CD2-CD1 4.45Å; Y476-Y579 AromaticContact CE2-CD1 3.69Å; Y476-Y579 HydrophobicContact CE2-CD1 3.69Å; Y476-Y579 HydrophobicContact CE2-CG 4.27Å; Y476-Y579 PolarHBondContact OH-O 3.31Å; H558-Y579 WeakPolarHBondContact CE1-CB 3.26Å; H558-Y579 AromaticContact CE1-CG 3.9Å; H558-Y579 AromaticContact ND1-CD2 3.97Å; H558-Y579 AromaticContact ND1-CG 3.81Å; H558-Y579 WeakPolarHBondContact NE2-CB 3.43Å; I575-Y579 HydrophobicContact CD1-CE2 4.25Å; I575-Y579 HydrophobicContact CG2-CD2 3.89Å; I575-Y579 HydrophobicContact CG2-CE2 4.08Å; I575-Y579 VanDerWaalsContact O-CD2 3.25Å; I575-Y579 WeakPolarHBondContact O-CD2 3.49Å; I575-Y579 PolarHBondContact O-N 3.43Å; I577-Y579 VanDerWaalsContact C-N 3.27Å; I577-Y579 PolarHBondContact O-N 3.36Å
580	S	95.1	Very high	95.8	Very high	4 Å²	4	18.5 Å²	18.5	3%	0.028	9%	0.088	C	C	.	.			trans	-68.6	143	165.5	68.7	0	0	0	0	110.8	A576 I577 I585 R694	A576-S580 PolarHBondContact O-N 3.2Å; A576-S580 VanDerWaalsContact O-N 3.12Å; I577-S580 WeakPolarHBondContact O-CB 3.33Å; I577-S580 PolarHBondContact O-N 3.15Å; I577-S580 PolarHBondContact O-OG 3.18Å; S580-I585 WeakPolarHBondContact OG-CG2 3.38Å; S580-R694 WeakPolarHBondContact O-CD 3.34Å; S580-R694 PolarHBondContact O-NH1 3.48Å; S580-R694 WeakPolarHBondContact OG-CD 3.3Å
581	V	90.8	Very high	95.7	Very high	36 Å²	36	19.3 Å²	19.3	22%	0.218	9%	0.092	C	C	.	.			trans	-99.8	-16.7	-170	-62.2	0	0	0	0	114.1	Y480 F482 F485	Y480-V581 HydrophobicContact CE1-CG1 3.82Å; Y480-V581 WeakPolarHBondContact OH-CG2 3.16Å; F482-V581 HydrophobicContact CD1-CG1 4.42Å; F482-V581 HydrophobicContact CE1-CG1 4.42Å; F485-V581 HydrophobicContact CB-CG2 4.35Å; F485-V581 HydrophobicContact CD1-CG2 3.76Å; F485-V581 HydrophobicContact CD2-CB 4.31Å; F485-V581 HydrophobicContact CD2-CG2 3.61Å; F485-V581 HydrophobicContact CE1-CG2 3.93Å; F485-V581 HydrophobicContact CE2-CG2 3.76Å; F485-V581 HydrophobicContact CG-CB 4.25Å; F485-V581 HydrophobicContact CG-CG2 3.6Å; F485-V581 HydrophobicContact CZ-CG2 3.94Å
582	T	91.6	Very high	95.6	Very high	7 Å²	7	18 Å²	18	4%	0.043	9%	0.085	C	C	.	.	S	Bend	trans	-90.7	167.8	-173.9	57.4	0	0	0	0	112.3	F485 N498 H499 S501 P524 F584 R694	F485-T582 HydrophobicContact CD1-CG2 4.37Å; F485-T582 HydrophobicContact CE1-CG2 4.26Å; N498-T582 WeakPolarHBondContact O-CG2 3.33Å; H499-T582 WeakPolarHBondContact O-CB 3.48Å; S501-T582 WeakPolarHBondContact CB-OG1 3.28Å; S501-T582 PolarHBondContact N-OG1 2.47Å; S501-T582 WeakPolarHBondContact OG-CB 3.45Å; S501-T582 WeakPolarHBondContact OG-CG2 3.45Å; S501-T582 PolarHBondContact OG-OG1 3.09Å; P524-T582 HydrophobicContact CB-CG2 4.37Å; P524-T582 HydrophobicContact CG-CG2 3.52Å; T582-F584 PolarHBondContact OG1-O 2.91Å; T582-R694 VanDerWaalsContact O-CD 3.27Å; T582-R694 WeakPolarHBondContact O-CD 3.3Å; T582-R694 PolarHBondContact O-NE 3.42Å
583	K	90.2	Very high	95.4	Very high	110 Å²	110	18.2 Å²	18.2	48%	0.478	9%	0.087	S	C	.	.	S	Bend	trans	-71.2	-36.9	179.8	-173.4	176.3	176.9	-174.8	0	112.2	H499 R694	H499-K583 PolarHBondContact O-N 3.23Å; K583-R694 WeakPolarHBondContact O-CB 3.43Å; K583-R694 PolarHBondContact O-N 3.39Å
584	F	94.1	Very high	95.3	Very high	4 Å²	4	18.1 Å²	18.1	2%	0.018	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	153.6	178.1	-53.8	-77.3	0	0	0	110.8	H499 V500 S501 T582 I606 F610 I691 V692	H499-F584 HydrophobicContact CB-CD2 4.17Å; H499-F584 WeakPolarHBondContact O-CD2 3.21Å; H499-F584 PolarHBondContact O-N 3.25Å; V500-F584 WeakPolarHBondContact CA-O 3.36Å; V500-F584 HydrophobicContact CB-CB 4.36Å; V500-F584 HydrophobicContact CG2-CB 4.44Å; S501-F584 PolarHBondContact N-O 2.94Å; T582-F584 PolarHBondContact OG1-O 2.91Å; F584-I606 HydrophobicContact CB-CD1 4.23Å; F584-I606 HydrophobicContact CD2-CD1 4.21Å; F584-I606 HydrophobicContact CD2-CG2 3.61Å; F584-I606 HydrophobicContact CE2-CG2 3.52Å; F584-I606 HydrophobicContact CG-CD1 4.38Å; F584-I606 HydrophobicContact CG-CG2 4.47Å; F584-I606 HydrophobicContact CZ-CG2 4.33Å; F584-F610 AromaticContact CD1-CD2 3.95Å; F584-F610 HydrophobicContact CD1-CD2 3.95Å; F584-F610 AromaticContact CD1-CE2 4Å; F584-F610 HydrophobicContact CD1-CE2 4Å; F584-F610 HydrophobicContact CD1-CG 4.26Å; F584-F610 HydrophobicContact CD1-CZ 4.33Å; F584-F610 HydrophobicContact CE1-CB 3.81Å; F584-F610 AromaticContact CE1-CD1 3.72Å; F584-F610 HydrophobicContact CE1-CD1 3.72Å; F584-F610 AromaticContact CE1-CD2 3.57Å; F584-F610 HydrophobicContact CE1-CD2 3.57Å; F584-F610 HydrophobicContact CE1-CE1 4.1Å; F584-F610 AromaticContact CE1-CE2 3.99Å; F584-F610 HydrophobicContact CE1-CE2 3.99Å; F584-F610 AromaticContact CE1-CG 3.43Å; F584-F610 HydrophobicContact CE1-CG 3.43Å; F584-F610 VanDerWaalsContact CE1-CG 3.43Å; F584-F610 HydrophobicContact CE1-CZ 4.24Å; F584-F610 HydrophobicContact CE2-CB 4.2Å; F584-F610 HydrophobicContact CE2-CD2 4.39Å; F584-F610 HydrophobicContact CE2-CG 4.48Å; F584-F610 HydrophobicContact CZ-CB 3.39Å; F584-F610 HydrophobicContact CZ-CD1 4.22Å; F584-F610 AromaticContact CZ-CD2 3.83Å; F584-F610 HydrophobicContact CZ-CD2 3.83Å; F584-F610 AromaticContact CZ-CG 3.58Å; F584-F610 HydrophobicContact CZ-CG 3.58Å; F584-I691 HydrophobicContact CB-CG2 4.27Å; F584-V692 CarbonylContact C-O 3.48Å; F584-V692 VanDerWaalsContact CA-O 3.31Å; F584-V692 WeakPolarHBondContact CA-O 3.35Å
585	I	96	Very high	95.1	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.005	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	143.6	175.5	56.7	168.9	0	0	0	109.2	S501 V503 I577 S580 I691 V692 R694	S501-I585 CarbonylContact O-C 3.57Å; S501-I585 WeakPolarHBondContact O-CA 3.28Å; V503-I585 HydrophobicContact CG2-CB 3.75Å; V503-I585 HydrophobicContact CG2-CG2 3.69Å; I577-I585 HydrophobicContact CB-CD1 4.47Å; I577-I585 HydrophobicContact CD1-CD1 3.7Å; I577-I585 HydrophobicContact CG1-CD1 3.64Å; I577-I585 HydrophobicContact CG2-CD1 4.09Å; S580-I585 WeakPolarHBondContact OG-CG2 3.38Å; I585-I691 VanDerWaalsContact O-CA 3.22Å; I585-I691 WeakPolarHBondContact O-CA 3.37Å; I585-V692 HydrophobicContact CD1-CG2 3.9Å; I585-V692 HydrophobicContact CG1-CG2 3.68Å; I585-V692 PolarHBondContact N-O 3.4Å; I585-V692 PolarHBondContact O-N 3.16Å; I585-V692 VanDerWaalsContact O-N 3.11Å; I585-R694 HydrophobicContact CG2-CB 3.96Å; I585-R694 HydrophobicContact CG2-CG 3.97Å
586	F	97.1	Very high	94.5	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	102.5	168.6	-179.9	-152.7	0	0	0	108.6	V500 S501 L502 V503 W521 I588 I598 I602 V623 I691 L732	V500-F586 HydrophobicContact CG2-CB 3.8Å; S501-F586 PolarHBondContact O-N 3.25Å; L502-F586 WeakPolarHBondContact CA-O 3.27Å; V503-F586 PolarHBondContact N-O 3.24Å; W521-F586 HydrophobicContact CE3-CD1 4.36Å; W521-F586 HydrophobicContact CH2-CB 4.42Å; W521-F586 AromaticContact CH2-CD1 3.94Å; W521-F586 HydrophobicContact CH2-CD1 3.94Å; W521-F586 AromaticContact CZ3-CD1 3.64Å; W521-F586 HydrophobicContact CZ3-CD1 3.64Å; W521-F586 HydrophobicContact CZ3-CE1 4.15Å; F586-I588 HydrophobicContact CD1-CG2 4.2Å; F586-I588 HydrophobicContact CD2-CG2 3.98Å; F586-I588 HydrophobicContact CE1-CG2 3.84Å; F586-I588 HydrophobicContact CE2-CG2 3.58Å; F586-I588 HydrophobicContact CG-CG2 4.29Å; F586-I588 HydrophobicContact CZ-CG2 3.53Å; F586-I598 HydrophobicContact CE1-CD1 4.31Å; F586-I602 HydrophobicContact CD1-CD1 4.01Å; F586-I602 HydrophobicContact CE1-CD1 4.01Å; F586-V623 HydrophobicContact CD2-CG2 4.39Å; F586-V623 HydrophobicContact CE2-CB 3.91Å; F586-V623 HydrophobicContact CE2-CG1 4.48Å; F586-V623 HydrophobicContact CE2-CG2 3.55Å; F586-V623 HydrophobicContact CZ-CB 3.97Å; F586-V623 HydrophobicContact CZ-CG1 4.03Å; F586-V623 HydrophobicContact CZ-CG2 3.75Å; F586-I691 HydrophobicContact CB-CG1 3.91Å; F586-I691 HydrophobicContact CD2-CD1 4.37Å; F586-I691 HydrophobicContact CD2-CG1 3.53Å; F586-I691 HydrophobicContact CE2-CG1 4.23Å; F586-I691 HydrophobicContact CG-CG1 3.85Å; F586-L732 HydrophobicContact CE1-CD2 4.02Å; F586-L732 HydrophobicContact CE2-CD1 4.28Å; F586-L732 HydrophobicContact CZ-CD1 3.81Å; F586-L732 HydrophobicContact CZ-CD2 3.69Å; F586-L732 HydrophobicContact CZ-CG 3.98Å
587	H	95.6	Very high	93.8	Very high	3 Å²	3	26.3 Å²	26.3	1%	0.014	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	120.1	-175.2	172.2	-87.5	0	0	0	111.1	V503 R573 Y689 V690 F699	V503-H587 WeakPolarHBondContact O-CA 3.45Å; R573-H587 VanDerWaalsContact CD-NE2 3.25Å; R573-H587 WeakPolarHBondContact CD-NE2 3.35Å; R573-H587 WeakPolarHBondContact CG-NE2 3.46Å; R573-H587 PolarHBondContact NE-CE1 3.17Å; R573-H587 VanDerWaalsContact NE-CE1 3.33Å; R573-H587 PolarHBondContact NE-NE2 2.89Å; H587-Y689 WeakPolarHBondContact O-CD1 3.46Å; H587-V690 PolarHBondContact N-O 3.41Å; H587-V690 VanDerWaalsContact N-O 3.16Å; H587-F699 AromaticContact CD2-CZ 3.9Å; H587-F699 AromaticContact CE1-CZ 3.84Å; H587-F699 AromaticContact ND1-CZ 3.96Å; H587-F699 AromaticContact NE2-CZ 3.79Å
588	I	96.3	Very high	93.5	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.126	C	C	.	.			trans	-134.3	153.5	176.4	69.6	162.4	0	0	0	112.4	L502 V503 S504 L517 F586 F592 Y689 L732	L502-I588 HydrophobicContact CD1-CD1 3.69Å; L502-I588 HydrophobicContact CD1-CG1 4.18Å; L502-I588 HydrophobicContact CD2-CD1 4.03Å; L502-I588 HydrophobicContact CD2-CG1 3.85Å; L502-I588 HydrophobicContact CG-CD1 4.08Å; L502-I588 HydrophobicContact CG-CG1 4Å; V503-I588 PolarHBondContact O-N 2.82Å; S504-I588 WeakPolarHBondContact CA-O 3.29Å; S504-I588 VanDerWaalsContact CB-O 3.3Å; S504-I588 WeakPolarHBondContact CB-O 3.33Å; S504-I588 PolarHBondContact OG-O 3.27Å; L517-I588 HydrophobicContact CD1-CD1 3.79Å; L517-I588 HydrophobicContact CD2-CD1 4.22Å; F586-I588 HydrophobicContact CD1-CG2 4.2Å; F586-I588 HydrophobicContact CD2-CG2 3.98Å; F586-I588 HydrophobicContact CE1-CG2 3.84Å; F586-I588 HydrophobicContact CE2-CG2 3.58Å; F586-I588 HydrophobicContact CG-CG2 4.29Å; F586-I588 HydrophobicContact CZ-CG2 3.53Å; I588-F592 HydrophobicContact CD1-CB 4.41Å; I588-Y689 HydrophobicContact CB-CD1 4.28Å; I588-Y689 HydrophobicContact CG2-CD1 4.27Å; I588-L732 HydrophobicContact CB-CD1 4.5Å; I588-L732 HydrophobicContact CG2-CD1 3.66Å; I588-L732 HydrophobicContact CG2-CD2 4.33Å
589	D	95.5	Very high	93.1	Very high	26 Å²	26	21.2 Å²	21.2	14%	0.139	11%	0.105	C	C	.	.			trans	-80.7	148.6	168.4	-57.9	-46.8	0	0	0	109.1	R573 D591 F592 Y689 K710	R573-D589 IonicContact NH2-OD1 2.79Å; R573-D589 PolarHBondContact NH2-OD1 3.48Å; D589-D591 PolarHBondContact O-N 2.86Å; D589-D591 VanDerWaalsContact O-N 3.11Å; D589-F592 HydrophobicContact CB-CD2 4Å; D589-F592 HydrophobicContact CB-CE2 4.26Å; D589-F592 PolarHBondContact O-N 3.13Å; D589-Y689 HydrophobicContact CB-CE1 4.33Å; D589-Y689 WeakPolarHBondContact OD2-CE1 3.44Å; D589-Y689 PolarHBondContact OD2-OH 3.03Å; D589-K710 IonicContact OD2-NZ 2.62Å; D589-K710 PolarHBondContact OD2-NZ 2.84Å
590	I	95.3	Very high	92.8	Very high	6 Å²	6	23.8 Å²	23.8	3%	0.031	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-23.3	-169.7	-168.1	62.3	0	0	0	114.2	S504 L506 R510 R513 L517 F592	S504-I590 PolarHBondContact OG-N 2.96Å; L506-I590 HydrophobicContact CB-CB 4.09Å; L506-I590 HydrophobicContact CB-CG1 3.97Å; L506-I590 HydrophobicContact CB-CG2 4.05Å; L506-I590 HydrophobicContact CD1-CD1 4.21Å; L506-I590 HydrophobicContact CD1-CG1 4.11Å; R510-I590 HydrophobicContact CB-CG2 3.88Å; R510-I590 HydrophobicContact CG-CG2 4.08Å; R513-I590 HydrophobicContact CB-CD1 4.39Å; R513-I590 HydrophobicContact CB-CG1 3.83Å; L517-I590 HydrophobicContact CD2-CD1 3.86Å; I590-F592 PolarHBondContact O-N 3.49Å
591	D	94	Very high	92.7	Very high	18 Å²	18	25.3 Å²	25.3	10%	0.096	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	1.1	179.4	-64.1	-63.9	0	0	0	113.5	R510 R513 D589 L735 H737	R510-D591 VanDerWaalsContact CD-OD1 3.32Å; R510-D591 WeakPolarHBondContact CD-OD1 3.4Å; R510-D591 IonicContact NE-OD1 2.92Å; R510-D591 PolarHBondContact NE-OD1 3.44Å; R510-D591 IonicContact NE-OD2 3.89Å; R513-D591 IonicContact NE-OD1 3.85Å; D589-D591 PolarHBondContact O-N 2.86Å; D589-D591 VanDerWaalsContact O-N 3.11Å; D591-L735 PolarHBondContact O-N 3.03Å; D591-H737 VanDerWaalsContact CB-CD2 3.47Å; D591-H737 WeakPolarHBondContact CB-CD2 3.27Å; D591-H737 IonicContact OD1-CD2 2.65Å; D591-H737 IonicContact OD1-CG 2.67Å; D591-H737 IonicContact OD2-CD2 3.2Å; D591-H737 PolarHBondContact OD2-CD2 2.87Å; D591-H737 IonicContact OD2-CE1 3.44Å; D591-H737 IonicContact OD2-CG 3.81Å; D591-H737 IonicContact OD2-NE2 3.76Å; D591-H737 PolarHBondContact OD2-NE2 3.44Å
592	F	95.5	Very high	92.8	Very high	1 Å²	1	23.6 Å²	23.6	0%	0.004	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	135	172.8	-74.6	-93.6	0	0	0	112.2	I588 D589 I590 A625 F654 Y689 L732 I733 H734	I588-F592 HydrophobicContact CD1-CB 4.41Å; D589-F592 HydrophobicContact CB-CD2 4Å; D589-F592 HydrophobicContact CB-CE2 4.26Å; D589-F592 PolarHBondContact O-N 3.13Å; I590-F592 PolarHBondContact O-N 3.49Å; F592-A625 HydrophobicContact CE1-CB 3.73Å; F592-A625 HydrophobicContact CZ-CB 4.42Å; F592-F654 HydrophobicContact CE1-CD1 4.44Å; F592-F654 HydrophobicContact CE1-CD2 4.43Å; F592-F654 HydrophobicContact CE1-CG 4.34Å; F592-F654 HydrophobicContact CE2-CE1 4.39Å; F592-F654 HydrophobicContact CE2-CE2 4.47Å; F592-F654 HydrophobicContact CE2-CZ 4.13Å; F592-F654 AromaticContact CZ-CD1 3.84Å; F592-F654 HydrophobicContact CZ-CD1 3.84Å; F592-F654 AromaticContact CZ-CD2 3.98Å; F592-F654 HydrophobicContact CZ-CD2 3.98Å; F592-F654 AromaticContact CZ-CE1 3.67Å; F592-F654 HydrophobicContact CZ-CE1 3.67Å; F592-F654 AromaticContact CZ-CE2 3.77Å; F592-F654 HydrophobicContact CZ-CE2 3.77Å; F592-F654 HydrophobicContact CZ-CG 4.02Å; F592-F654 AromaticContact CZ-CZ 3.61Å; F592-F654 HydrophobicContact CZ-CZ 3.61Å; F592-Y689 HydrophobicContact CD1-CE2 4.36Å; F592-Y689 HydrophobicContact CD2-CE1 4.18Å; F592-Y689 HydrophobicContact CD2-CE2 4.31Å; F592-Y689 AromaticContact CD2-CZ 3.76Å; F592-Y689 HydrophobicContact CE1-CD2 4.38Å; F592-Y689 AromaticContact CE1-CE2 3.7Å; F592-Y689 HydrophobicContact CE1-CE2 3.7Å; F592-Y689 HydrophobicContact CE2-CE1 4.06Å; F592-Y689 AromaticContact CE2-CE2 3.69Å; F592-Y689 HydrophobicContact CE2-CE2 3.69Å; F592-Y689 AromaticContact CE2-CZ 3.22Å; F592-Y689 WeakPolarHBondContact CE2-OH 3.22Å; F592-Y689 HydrophobicContact CZ-CD2 4.37Å; F592-Y689 AromaticContact CZ-CE2 3.31Å; F592-Y689 HydrophobicContact CZ-CE2 3.31Å; F592-Y689 AromaticContact CZ-CZ 3.4Å; F592-Y689 VanDerWaalsContact CZ-CZ 3.4Å; F592-Y689 WeakPolarHBondContact CZ-OH 3.31Å; F592-L732 HydrophobicContact CD1-CB 3.72Å; F592-L732 HydrophobicContact CD1-CD1 4.3Å; F592-L732 HydrophobicContact CE1-CB 4.46Å; F592-I733 WeakPolarHBondContact CA-O 3.4Å; F592-H734 HydrophobicContact CD1-CB 3.95Å; F592-H734 AromaticContact CD2-CD2 3.92Å; F592-H734 HydrophobicContact CE1-CB 3.49Å; F592-H734 VanDerWaalsContact CE1-CB 3.49Å; F592-H734 HydrophobicContact CE2-CB 4.23Å; F592-H734 AromaticContact CE2-CD2 3.35Å; F592-H734 WeakPolarHBondContact CE2-CD2 3.49Å; F592-H734 HydrophobicContact CZ-CB 3.65Å; F592-H734 AromaticContact CZ-CD2 3.55Å; F592-H734 AromaticContact CZ-CG 3.93Å
593	L	94.5	Very high	92.8	Very high	6 Å²	6	23.7 Å²	23.7	3%	0.031	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	133.2	166.6	-64.6	-172.3	0	0	0	110.4	E516 L517 L635 I733 L735	E516-L593 HydrophobicContact CB-CD1 4.04Å; E516-L593 HydrophobicContact CB-CD2 3.89Å; L517-L593 HydrophobicContact CB-CD2 4.05Å; L517-L593 HydrophobicContact CD1-CD2 4.34Å; L593-L635 HydrophobicContact CB-CD1 4.42Å; L593-L635 HydrophobicContact CD1-CD1 3.73Å; L593-I733 PolarHBondContact N-O 2.84Å; L593-I733 PolarHBondContact O-N 3.24Å; L593-L735 HydrophobicContact CD1-CD1 3.53Å; L593-L735 HydrophobicContact CD1-CG 4.31Å; L593-L735 HydrophobicContact CG-CD1 3.89Å; L593-L735 HydrophobicContact CG-CG 4.32Å
594	P	94.9	Very high	92.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	160.2	173	26.8	-29.6	0	0	0	112.3	L517 R520 W521 I598 L732	L517-P594 HydrophobicContact CD1-CG 4.29Å; R520-P594 HydrophobicContact CB-CG 3.93Å; R520-P594 WeakPolarHBondContact CD-O 3.46Å; R520-P594 PolarHBondContact NH1-O 3.46Å; W521-P594 HydrophobicContact CB-CG 4.46Å; P594-I598 HydrophobicContact CB-CB 4.05Å; P594-I598 HydrophobicContact CB-CD1 3.63Å; P594-I598 HydrophobicContact CB-CG1 4.45Å; P594-I598 HydrophobicContact CB-CG2 3.59Å; P594-I598 HydrophobicContact CG-CG2 4.12Å; P594-L732 HydrophobicContact CB-CD2 3.85Å
595	Q	92.8	Very high	92.7	Very high	13 Å²	13	25.6 Å²	25.6	6%	0.061	13%	0.13	C	C	.	.	P	Polyproline II helix	trans	-53.7	155	163.4	77.1	179	20.8	0	0	110.6	I598 N729 F731	Q595-I598 HydrophobicContact CG-CB 3.67Å; Q595-I598 HydrophobicContact CG-CD1 4.14Å; Q595-I598 HydrophobicContact CG-CG1 3.77Å; Q595-I598 WeakPolarHBondContact O-CB 3.3Å; Q595-I598 PolarHBondContact O-N 2.93Å; Q595-N729 PolarHBondContact NE2-O 3.29Å; Q595-N729 PolarHBondContact OE1-O 3.27Å; Q595-F731 HydrophobicContact CB-CD1 4.16Å; Q595-F731 HydrophobicContact CB-CD2 4.12Å; Q595-F731 HydrophobicContact CB-CE1 3.78Å; Q595-F731 HydrophobicContact CB-CE2 3.71Å; Q595-F731 HydrophobicContact CB-CG 4.32Å; Q595-F731 HydrophobicContact CB-CZ 3.54Å; Q595-F731 PolarHBondContact N-O 2.93Å; Q595-F731 VanDerWaalsContact N-O 3.1Å
596	E	86.9	Confident	92.5	Very high	87 Å²	87	25.5 Å²	25.5	41%	0.407	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	141.8	178.5	-165.6	167.2	160.7	0	0	110.9	I598 E637	E596-I598 PolarHBondContact O-N 3.34Å; E596-E637 HydrophobicContact CB-CG 4.47Å
597	N	82.7	Confident	92.1	Very high	92 Å²	92	28.1 Å²	28.1	49%	0.492	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	24.8	-178.3	-58.3	-42.8	0	0	0	115.1	I599 D600	N597-I599 PolarHBondContact O-N 2.94Å; N597-D600 PolarHBondContact O-N 3.17Å
598	I	91.3	Very high	91.8	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-52	-30.5	-179.5	-161.9	173	0	0	0	113.8	W521 F586 P594 Q595 E596 D600 S601 I602 V730	W521-I598 HydrophobicContact CE3-CG2 3.54Å; W521-I598 HydrophobicContact CZ3-CG2 3.65Å; F586-I598 HydrophobicContact CE1-CD1 4.31Å; P594-I598 HydrophobicContact CB-CB 4.05Å; P594-I598 HydrophobicContact CB-CD1 3.63Å; P594-I598 HydrophobicContact CB-CG1 4.45Å; P594-I598 HydrophobicContact CB-CG2 3.59Å; P594-I598 HydrophobicContact CG-CG2 4.12Å; Q595-I598 HydrophobicContact CG-CB 3.67Å; Q595-I598 HydrophobicContact CG-CD1 4.14Å; Q595-I598 HydrophobicContact CG-CG1 3.77Å; Q595-I598 WeakPolarHBondContact O-CB 3.3Å; Q595-I598 PolarHBondContact O-N 2.93Å; E596-I598 PolarHBondContact O-N 3.34Å; I598-D600 PolarHBondContact O-N 3.37Å; I598-S601 PolarHBondContact O-N 3.32Å; I598-I602 HydrophobicContact CD1-CD1 3.88Å; I598-I602 HydrophobicContact CG1-CD1 3.68Å; I598-I602 HydrophobicContact CG1-CG1 4.1Å; I598-I602 HydrophobicContact CG2-CD1 4.33Å; I598-I602 PolarHBondContact O-N 3.42Å; I598-V730 HydrophobicContact CD1-CB 4.04Å; I598-V730 HydrophobicContact CD1-CG1 4.36Å; I598-V730 HydrophobicContact CG1-CB 3.92Å; I598-V730 HydrophobicContact CG1-CG1 3.7Å
599	I	89.6	Confident	91.5	Very high	13 Å²	13	33 Å²	33	7%	0.067	17%	0.166	C	C	.	.	H	α-helix	trans	-60.3	-34.8	-174.4	-170.2	167.4	0	0	0	111.6	K497 N597 I602 E603	K497-I599 HydrophobicContact CB-CD1 4.33Å; K497-I599 HydrophobicContact CB-CG1 4.4Å; N597-I599 PolarHBondContact O-N 2.94Å; I599-I602 PolarHBondContact O-N 2.68Å; I599-E603 HydrophobicContact CG1-CG 4.15Å; I599-E603 VanDerWaalsContact O-CB 3.3Å; I599-E603 WeakPolarHBondContact O-CB 3.25Å; I599-E603 WeakPolarHBondContact O-CG 3.31Å; I599-E603 PolarHBondContact O-N 3.07Å
600	D	89.2	Confident	91.1	Very high	73 Å²	73	32.8 Å²	32.8	39%	0.39	16%	0.163	S	C	.	.	H	α-helix	trans	-66.1	-45.5	-179.7	-69.9	5	0	0	0	111.2	K497 N597 I598 K604	K497-D600 WeakPolarHBondContact CD-OD1 3.5Å; K497-D600 WeakPolarHBondContact CE-OD1 3.46Å; K497-D600 IonicContact NZ-OD1 3.86Å; K497-D600 PolarHBondContact NZ-OD1 3.31Å; K497-D600 IonicContact NZ-OD2 2.62Å; K497-D600 PolarHBondContact NZ-OD2 2.81Å; N597-D600 PolarHBondContact O-N 3.17Å; I598-D600 PolarHBondContact O-N 3.37Å; D600-K604 PolarHBondContact O-N 2.91Å; D600-K604 VanDerWaalsContact O-N 3.08Å
601	S	92.1	Very high	90.4	Very high	36 Å²	36	36 Å²	36	25%	0.252	18%	0.18	S	C	.	.	H	α-helix	trans	-65.8	-42.9	176.1	-60.4	0	0	0	0	111.5	I598 K604 S605	I598-S601 PolarHBondContact O-N 3.32Å; S601-K604 WeakPolarHBondContact O-CB 3.4Å; S601-K604 PolarHBondContact O-N 3.28Å; S601-S605 PolarHBondContact O-N 2.94Å; S601-S605 PolarHBondContact O-OG 2.7Å
602	I	93.8	Very high	89.8	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-64.3	-44.2	178	-74.1	170.9	0	0	0	111.3	V500 W521 F586 I598 I599 K604 S605 I606 I691 V730	V500-I602 HydrophobicContact CB-CG2 4.44Å; V500-I602 HydrophobicContact CG1-CG2 3.79Å; V500-I602 HydrophobicContact CG2-CG2 4.49Å; W521-I602 HydrophobicContact CH2-CD1 4.09Å; W521-I602 HydrophobicContact CZ3-CD1 3.72Å; F586-I602 HydrophobicContact CD1-CD1 4.01Å; F586-I602 HydrophobicContact CE1-CD1 4.01Å; I598-I602 HydrophobicContact CD1-CD1 3.88Å; I598-I602 HydrophobicContact CG1-CD1 3.68Å; I598-I602 HydrophobicContact CG1-CG1 4.1Å; I598-I602 HydrophobicContact CG2-CD1 4.33Å; I598-I602 PolarHBondContact O-N 3.42Å; I599-I602 PolarHBondContact O-N 2.68Å; I602-K604 VanDerWaalsContact C-N 3.29Å; I602-K604 PolarHBondContact O-N 3.07Å; I602-S605 PolarHBondContact O-N 3.39Å; I602-I606 HydrophobicContact CG2-CD1 3.65Å; I602-I606 HydrophobicContact CG2-CG1 4.21Å; I602-I606 WeakPolarHBondContact O-CB 3.26Å; I602-I606 WeakPolarHBondContact O-CG1 3.07Å; I602-I606 PolarHBondContact O-N 3.35Å; I602-I691 HydrophobicContact CB-CD1 4.34Å; I602-I691 HydrophobicContact CD1-CD1 3.89Å; I602-I691 HydrophobicContact CG1-CD1 3.77Å; I602-I691 HydrophobicContact CG2-CD1 3.7Å; I602-V730 HydrophobicContact CG1-CG1 4.22Å
603	E	90.8	Very high	88.5	Confident	8 Å²	8	45.7 Å²	45.7	4%	0.037	23%	0.227	C	C	.	.	H	α-helix	trans	-62.9	-37.6	177.9	-74.5	-78.2	172.8	0	0	111.5	K497 N498 H499 I599 I606 N607	K497-E603 VanDerWaalsContact C-OE1 3.23Å; K497-E603 HydrophobicContact CB-CG 3.85Å; K497-E603 HydrophobicContact CD-CG 4.4Å; K497-E603 HydrophobicContact CG-CG 4.08Å; N498-E603 PolarHBondContact N-OE1 2.59Å; H499-E603 WeakPolarHBondContact CB-OE2 3.47Å; H499-E603 IonicContact CE1-OE2 2.73Å; H499-E603 IonicContact CG-OE2 2.66Å; H499-E603 PolarHBondContact N-OE1 3.01Å; H499-E603 IonicContact ND1-OE2 3.47Å; H499-E603 PolarHBondContact ND1-OE2 2.62Å; I599-E603 HydrophobicContact CG1-CG 4.15Å; I599-E603 VanDerWaalsContact O-CB 3.3Å; I599-E603 WeakPolarHBondContact O-CB 3.25Å; I599-E603 WeakPolarHBondContact O-CG 3.31Å; I599-E603 PolarHBondContact O-N 3.07Å; E603-I606 PolarHBondContact O-N 3.11Å; E603-N607 WeakPolarHBondContact O-CB 3.41Å; E603-N607 VanDerWaalsContact O-CG 3.26Å; E603-N607 PolarHBondContact O-N 2.96Å; E603-N607 PolarHBondContact O-ND2 3.11Å; E603-N607 VanDerWaalsContact O-ND2 3.08Å
604	K	91.5	Very high	86.9	Confident	142 Å²	142	52.9 Å²	52.9	62%	0.617	27%	0.265	S	S	*	.	H	α-helix	trans	-60.7	-49.8	171.5	-173.6	-176.6	175.7	-172.5	0	111.3	D600 S601 I602 I606 N607 E608	D600-K604 PolarHBondContact O-N 2.91Å; D600-K604 VanDerWaalsContact O-N 3.08Å; S601-K604 WeakPolarHBondContact O-CB 3.4Å; S601-K604 PolarHBondContact O-N 3.28Å; I602-K604 VanDerWaalsContact C-N 3.29Å; I602-K604 PolarHBondContact O-N 3.07Å; K604-I606 VanDerWaalsContact C-N 3.31Å; K604-I606 PolarHBondContact O-N 2.92Å; K604-N607 PolarHBondContact O-N 3.04Å; K604-E608 PolarHBondContact O-N 3.32Å
605	S	92.5	Very high	85.3	Confident	12 Å²	12	56.8 Å²	56.8	8%	0.084	28%	0.284	C	S	.	.	H	α-helix	trans	-62.4	-37	177.2	-60.9	0	0	0	0	112.3	S601 I602 E608 Y609	S601-S605 PolarHBondContact O-N 2.94Å; S601-S605 PolarHBondContact O-OG 2.7Å; I602-S605 PolarHBondContact O-N 3.39Å; S605-E608 PolarHBondContact O-N 2.8Å; S605-Y609 WeakPolarHBondContact O-CB 3.33Å; S605-Y609 WeakPolarHBondContact O-CD2 3.31Å; S605-Y609 PolarHBondContact O-N 3.48Å
606	I	90.8	Very high	83.8	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-65.1	-44.9	175.8	-73.9	170.4	0	0	0	111.1	H499 V500 F584 I602 E603 K604 E608 F610 I611 I691	H499-I606 HydrophobicContact CB-CG2 4.07Å; V500-I606 HydrophobicContact CB-CD1 3.61Å; V500-I606 HydrophobicContact CG1-CD1 3.93Å; V500-I606 HydrophobicContact CG2-CD1 4.29Å; F584-I606 HydrophobicContact CB-CD1 4.23Å; F584-I606 HydrophobicContact CD2-CD1 4.21Å; F584-I606 HydrophobicContact CD2-CG2 3.61Å; F584-I606 HydrophobicContact CE2-CG2 3.52Å; F584-I606 HydrophobicContact CG-CD1 4.38Å; F584-I606 HydrophobicContact CG-CG2 4.47Å; F584-I606 HydrophobicContact CZ-CG2 4.33Å; I602-I606 HydrophobicContact CG2-CD1 3.65Å; I602-I606 HydrophobicContact CG2-CG1 4.21Å; I602-I606 WeakPolarHBondContact O-CB 3.26Å; I602-I606 WeakPolarHBondContact O-CG1 3.07Å; I602-I606 PolarHBondContact O-N 3.35Å; E603-I606 PolarHBondContact O-N 3.11Å; K604-I606 VanDerWaalsContact C-N 3.31Å; K604-I606 PolarHBondContact O-N 2.92Å; I606-E608 VanDerWaalsContact C-N 3.32Å; I606-E608 PolarHBondContact O-N 3.32Å; I606-F610 HydrophobicContact CB-CD2 4.23Å; I606-F610 HydrophobicContact CG1-CD2 4.09Å; I606-F610 HydrophobicContact CG1-CE2 4.31Å; I606-F610 HydrophobicContact CG2-CD2 4.12Å; I606-F610 WeakPolarHBondContact O-CA 3.45Å; I606-F610 WeakPolarHBondContact O-CB 3.42Å; I606-F610 PolarHBondContact O-N 2.7Å; I606-I611 PolarHBondContact O-N 3.11Å; I606-I691 HydrophobicContact CD1-CG2 4.24Å; I606-I691 HydrophobicContact CG1-CG2 4.43Å
607	N	88.9	Confident	83.1	Confident	55 Å²	55	61.6 Å²	61.6	29%	0.294	31%	0.314	S	S	.	.	I	π-helix	trans	-59.9	-44.5	176.8	-74.9	-36.9	0	0	0	111.1	E603 K604 I611 Q612	E603-N607 WeakPolarHBondContact O-CB 3.41Å; E603-N607 VanDerWaalsContact O-CG 3.26Å; E603-N607 PolarHBondContact O-N 2.96Å; E603-N607 PolarHBondContact O-ND2 3.11Å; E603-N607 VanDerWaalsContact O-ND2 3.08Å; K604-N607 PolarHBondContact O-N 3.04Å; N607-I611 WeakPolarHBondContact O-CB 3.38Å; N607-I611 PolarHBondContact O-N 3.03Å; N607-I611 WeakPolarHBondContact OD1-CD1 3.25Å; N607-Q612 WeakPolarHBondContact O-CB 3.18Å; N607-Q612 WeakPolarHBondContact O-CG 3.27Å; N607-Q612 PolarHBondContact O-N 2.59Å
608	E	89.7	Confident	83.3	Confident	76 Å²	76	60.2 Å²	60.2	36%	0.355	31%	0.306	S	S	.	.	I	π-helix	trans	-65.2	-56.9	179.4	-177.1	172.6	179.3	0	0	112.2	K604 S605 I606 N613	K604-E608 PolarHBondContact O-N 3.32Å; S605-E608 PolarHBondContact O-N 2.8Å; I606-E608 VanDerWaalsContact C-N 3.32Å; I606-E608 PolarHBondContact O-N 3.32Å; E608-N613 WeakPolarHBondContact O-CB 3.38Å; E608-N613 VanDerWaalsContact O-CG 3.26Å; E608-N613 PolarHBondContact O-N 3.4Å; E608-N613 PolarHBondContact O-ND2 2.8Å
609	Y	89.9	Confident	83.4	Confident	30 Å²	30	60.5 Å²	60.5	12%	0.118	31%	0.308	C	S	.	.	I	π-helix	trans	-80.4	-32.9	-172.1	-75.8	-74.6	0	0	0	114.3	S605 Q615 I619 L621 D677 I725 L727	S605-Y609 WeakPolarHBondContact O-CB 3.33Å; S605-Y609 WeakPolarHBondContact O-CD2 3.31Å; S605-Y609 PolarHBondContact O-N 3.48Å; Y609-Q615 WeakPolarHBondContact O-CB 3.33Å; Y609-I619 HydrophobicContact CD1-CD1 4.31Å; Y609-L621 HydrophobicContact CD1-CD2 4.44Å; Y609-L621 HydrophobicContact CD2-CD1 4.45Å; Y609-L621 HydrophobicContact CD2-CD2 3.69Å; Y609-L621 HydrophobicContact CE2-CD2 4.23Å; Y609-L621 HydrophobicContact CG-CD2 3.81Å; Y609-D677 HydrophobicContact CE2-CB 4.45Å; Y609-D677 VanDerWaalsContact OH-CB 3.28Å; Y609-D677 WeakPolarHBondContact OH-CB 3.33Å; Y609-I725 HydrophobicContact CE1-CG1 4.4Å; Y609-I725 HydrophobicContact CE1-CG2 4.06Å; Y609-I725 HydrophobicContact CE2-CG2 4.22Å; Y609-L727 HydrophobicContact CE2-CD2 4.4Å
610	F	86.3	Confident	83.6	Confident	21 Å²	21	59.9 Å²	59.9	9%	0.092	31%	0.305	C	S	.	.	I	π-helix	trans	-110	-21.2	-172.7	-60.3	-67	0	0	0	115.1	F584 I606 I619 L621	F584-F610 AromaticContact CD1-CD2 3.95Å; F584-F610 HydrophobicContact CD1-CD2 3.95Å; F584-F610 AromaticContact CD1-CE2 4Å; F584-F610 HydrophobicContact CD1-CE2 4Å; F584-F610 HydrophobicContact CD1-CG 4.26Å; F584-F610 HydrophobicContact CD1-CZ 4.33Å; F584-F610 HydrophobicContact CE1-CB 3.81Å; F584-F610 AromaticContact CE1-CD1 3.72Å; F584-F610 HydrophobicContact CE1-CD1 3.72Å; F584-F610 AromaticContact CE1-CD2 3.57Å; F584-F610 HydrophobicContact CE1-CD2 3.57Å; F584-F610 HydrophobicContact CE1-CE1 4.1Å; F584-F610 AromaticContact CE1-CE2 3.99Å; F584-F610 HydrophobicContact CE1-CE2 3.99Å; F584-F610 AromaticContact CE1-CG 3.43Å; F584-F610 HydrophobicContact CE1-CG 3.43Å; F584-F610 VanDerWaalsContact CE1-CG 3.43Å; F584-F610 HydrophobicContact CE1-CZ 4.24Å; F584-F610 HydrophobicContact CE2-CB 4.2Å; F584-F610 HydrophobicContact CE2-CD2 4.39Å; F584-F610 HydrophobicContact CE2-CG 4.48Å; F584-F610 HydrophobicContact CZ-CB 3.39Å; F584-F610 HydrophobicContact CZ-CD1 4.22Å; F584-F610 AromaticContact CZ-CD2 3.83Å; F584-F610 HydrophobicContact CZ-CD2 3.83Å; F584-F610 AromaticContact CZ-CG 3.58Å; F584-F610 HydrophobicContact CZ-CG 3.58Å; I606-F610 HydrophobicContact CB-CD2 4.23Å; I606-F610 HydrophobicContact CG1-CD2 4.09Å; I606-F610 HydrophobicContact CG1-CE2 4.31Å; I606-F610 HydrophobicContact CG2-CD2 4.12Å; I606-F610 WeakPolarHBondContact O-CA 3.45Å; I606-F610 WeakPolarHBondContact O-CB 3.42Å; I606-F610 PolarHBondContact O-N 2.7Å; F610-I619 HydrophobicContact CE1-CB 3.84Å; F610-I619 HydrophobicContact CE1-CG2 4.23Å; F610-I619 HydrophobicContact CZ-CB 4.33Å; F610-I619 HydrophobicContact CZ-CG2 4.26Å; F610-L621 HydrophobicContact CD2-CD1 4.43Å; F610-L621 HydrophobicContact CE2-CD1 3.64Å; F610-L621 HydrophobicContact CE2-CG 3.92Å; F610-L621 HydrophobicContact CZ-CD1 4.32Å; F610-L621 HydrophobicContact CZ-CG 4.09Å
611	I	80.9	Confident	84	Confident	73 Å²	73	56.4 Å²	56.4	37%	0.374	29%	0.286	S	S	.	.	I	π-helix	trans	-109.7	-56.2	-174	-53.7	-169.6	0	0	0	111.8	I606 N607	I606-I611 PolarHBondContact O-N 3.11Å; N607-I611 WeakPolarHBondContact O-CB 3.38Å; N607-I611 PolarHBondContact O-N 3.03Å; N607-I611 WeakPolarHBondContact OD1-CD1 3.25Å
612	Q	80.3	Confident	84.2	Confident	143 Å²	143	54.7 Å²	54.7	67%	0.668	27%	0.274	S	S	*	.	I	π-helix	trans	-71.9	-44.8	-174.2	-71.3	178.9	-10.6	0	0	112.2	N607 N614	N607-Q612 WeakPolarHBondContact O-CB 3.18Å; N607-Q612 WeakPolarHBondContact O-CG 3.27Å; N607-Q612 PolarHBondContact O-N 2.59Å; Q612-N614 VanDerWaalsContact C-N 3.28Å; Q612-N614 PolarHBondContact O-N 3.08Å
613	N	68.3	Low	84.4	Confident	80 Å²	80	54.8 Å²	54.8	43%	0.428	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-0.1	-171.3	-72	-23.2	0	0	0	114.6	E608 Q615	E608-N613 WeakPolarHBondContact O-CB 3.38Å; E608-N613 VanDerWaalsContact O-CG 3.26Å; E608-N613 PolarHBondContact O-N 3.4Å; E608-N613 PolarHBondContact O-ND2 2.8Å; N613-Q615 HydrophobicContact CB-CB 4.24Å; N613-Q615 HydrophobicContact CB-CG 3.71Å; N613-Q615 PolarHBondContact O-N 2.99Å
614	N	62.6	Low	84.7	Confident	156 Å²	156	54.4 Å²	54.4	83%	0.834	27%	0.273	S	S	*	.			trans	43.6	28.2	-170.6	-90.4	-17.3	0	0	0	112.9	Q612	Q612-N614 VanDerWaalsContact C-N 3.28Å; Q612-N614 PolarHBondContact O-N 3.08Å
615	Q	60.3	Low	84.9	Confident	83 Å²	83	47.7 Å²	47.7	39%	0.388	24%	0.244	S	C	.	.			trans	-72.7	151.9	-174.7	-87.5	172.7	-3.4	0	0	109.9	Y609 N613 I619	Y609-Q615 WeakPolarHBondContact O-CB 3.33Å; N613-Q615 HydrophobicContact CB-CB 4.24Å; N613-Q615 HydrophobicContact CB-CG 3.71Å; N613-Q615 PolarHBondContact O-N 2.99Å; Q615-I619 HydrophobicContact CB-CD1 3.74Å; Q615-I619 HydrophobicContact CG-CD1 4.42Å
616	S	62.1	Low	85.1	Confident	69 Å²	69	47.1 Å²	47.1	48%	0.483	24%	0.24	S	C	.	.			trans	-50.4	146.6	-174.2	70.4	0	0	0	0	111.8	N618	S616-N618 PolarHBondContact O-N 3.42Å
617	Q	70.6	Confident	85.3	Confident	132 Å²	132	47.6 Å²	47.6	62%	0.617	24%	0.242	S	C	*	.	S	Bend	trans	-62	-0.8	172.8	-63.4	-174.1	-6.3	0	0	114.1	I619 Y722	Q617-I619 VanDerWaalsContact C-N 3.35Å; Q617-I619 PolarHBondContact O-N 2.87Å; Q617-Y722 VanDerWaalsContact O-CE1 3.27Å; Q617-Y722 WeakPolarHBondContact O-CE1 3.13Å; Q617-Y722 PolarHBondContact O-OH 3.33Å
618	N	87.6	Confident	85.5	Confident	62 Å²	62	45 Å²	45	33%	0.332	23%	0.228	S	C	.	.			trans	-97.2	41.9	-178.9	-60	2.9	0	0	0	111.6	S616 L720 Y722 K723	S616-N618 PolarHBondContact O-N 3.42Å; N618-L720 PolarHBondContact ND2-O 3.37Å; N618-Y722 VanDerWaalsContact C-CD1 3.43Å; N618-Y722 HydrophobicContact CB-CD1 4.47Å; N618-Y722 HydrophobicContact CB-CD2 4.26Å; N618-Y722 HydrophobicContact CB-CE2 4.41Å; N618-Y722 HydrophobicContact CB-CG 4.3Å; N618-Y722 CarbonylContact O-C 3.58Å; N618-Y722 VanDerWaalsContact O-CA 3.29Å; N618-Y722 WeakPolarHBondContact O-CA 3.28Å; N618-K723 PolarHBondContact O-N 3.28Å
619	I	92.6	Very high	85.3	Confident	7 Å²	7	46.9 Å²	46.9	4%	0.036	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	134.8	170.4	-66.2	176.4	0	0	0	108.8	Y609 F610 Q615 Q617 L621 I725	Y609-I619 HydrophobicContact CD1-CD1 4.31Å; F610-I619 HydrophobicContact CE1-CB 3.84Å; F610-I619 HydrophobicContact CE1-CG2 4.23Å; F610-I619 HydrophobicContact CZ-CB 4.33Å; F610-I619 HydrophobicContact CZ-CG2 4.26Å; Q615-I619 HydrophobicContact CB-CD1 3.74Å; Q615-I619 HydrophobicContact CG-CD1 4.42Å; Q617-I619 VanDerWaalsContact C-N 3.35Å; Q617-I619 PolarHBondContact O-N 2.87Å; I619-L621 HydrophobicContact CG2-CD2 3.65Å; I619-L621 HydrophobicContact CG2-CG 4.38Å; I619-I725 HydrophobicContact CG2-CG1 4.05Å
620	C	95	Very high	85.1	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	108.4	175.9	-174	0	0	0	0	107.9	V622 V690 V692 Y722 K723 F724 I725	C620-V622 PolarHBondContact O-N 3.05Å; C620-V690 WeakPolarHBondContact SG-CB 3.33Å; C620-V690 WeakPolarHBondContact SG-CG1 3.41Å; C620-V692 HydrophobicContact CB-CG1 4.07Å; C620-V692 VanDerWaalsContact SG-CG1 3.58Å; C620-Y722 HydrophobicContact CB-CD1 4.06Å; C620-K723 WeakPolarHBondContact CB-O 3.48Å; C620-K723 PolarHBondContact N-O 3Å; C620-F724 HydrophobicContact CB-CD1 3.88Å; C620-F724 HydrophobicContact CB-CE1 4.14Å; C620-F724 WeakPolarHBondContact O-CA 3.48Å; C620-I725 PolarHBondContact O-N 2.65Å
621	L	96.3	Very high	84.6	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	117.4	176.9	-50.5	177.9	0	0	0	108.6	Y609 F610 I619 V690 I691 I725 L727	Y609-L621 HydrophobicContact CD1-CD2 4.44Å; Y609-L621 HydrophobicContact CD2-CD1 4.45Å; Y609-L621 HydrophobicContact CD2-CD2 3.69Å; Y609-L621 HydrophobicContact CE2-CD2 4.23Å; Y609-L621 HydrophobicContact CG-CD2 3.81Å; F610-L621 HydrophobicContact CD2-CD1 4.43Å; F610-L621 HydrophobicContact CE2-CD1 3.64Å; F610-L621 HydrophobicContact CE2-CG 3.92Å; F610-L621 HydrophobicContact CZ-CD1 4.32Å; F610-L621 HydrophobicContact CZ-CG 4.09Å; I619-L621 HydrophobicContact CG2-CD2 3.65Å; I619-L621 HydrophobicContact CG2-CG 4.38Å; L621-V690 CarbonylContact O-C 3.51Å; L621-V690 VanDerWaalsContact O-CA 3.26Å; L621-V690 WeakPolarHBondContact O-CA 3.41Å; L621-I691 HydrophobicContact CB-CB 4.17Å; L621-I691 HydrophobicContact CB-CD1 4.46Å; L621-I691 PolarHBondContact N-O 3.49Å; L621-I691 PolarHBondContact O-N 2.99Å; L621-I725 CarbonylContact C-O 3.59Å; L621-I725 WeakPolarHBondContact CA-O 3.47Å; L621-I725 HydrophobicContact CD2-CB 4.04Å; L621-I725 HydrophobicContact CD2-CG2 4.37Å; L621-L727 HydrophobicContact CB-CD1 4Å; L621-L727 HydrophobicContact CB-CD2 4.2Å; L621-L727 HydrophobicContact CB-CG 4.1Å; L621-L727 HydrophobicContact CD1-CD1 4.4Å; L621-L727 HydrophobicContact CD1-CD2 4.4Å; L621-L727 HydrophobicContact CD2-CD2 4.2Å
622	V	97.5	Very high	84.5	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	126.8	-179.7	172.1	0	0	0	0	109.3	C620 P624 P688 V690 F724 I725 V726 L727	C620-V622 PolarHBondContact O-N 3.05Å; V622-P624 WeakPolarHBondContact O-CD 3.43Å; V622-P688 HydrophobicContact CB-CB 4.49Å; V622-P688 HydrophobicContact CG1-CB 3.69Å; V622-P688 HydrophobicContact CG2-CB 4.12Å; V622-P688 HydrophobicContact CG2-CG 4.29Å; V622-V690 HydrophobicContact CG2-CG1 4.17Å; V622-F724 HydrophobicContact CG2-CB 4.05Å; V622-F724 HydrophobicContact CG2-CD1 4.12Å; V622-I725 PolarHBondContact N-O 3.25Å; V622-V726 HydrophobicContact CB-CG2 4.1Å; V622-V726 HydrophobicContact CG1-CG2 4.14Å; V622-L727 PolarHBondContact O-N 3.39Å
623	V	97.3	Very high	84.5	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.006	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	115	172.2	-176.2	0	0	0	0	108.9	F586 Y689 I691 L727 V730 L732	F586-V623 HydrophobicContact CD2-CG2 4.39Å; F586-V623 HydrophobicContact CE2-CB 3.91Å; F586-V623 HydrophobicContact CE2-CG1 4.48Å; F586-V623 HydrophobicContact CE2-CG2 3.55Å; F586-V623 HydrophobicContact CZ-CB 3.97Å; F586-V623 HydrophobicContact CZ-CG1 4.03Å; F586-V623 HydrophobicContact CZ-CG2 3.75Å; V623-Y689 PolarHBondContact N-O 3.1Å; V623-I691 HydrophobicContact CG2-CD1 3.85Å; V623-I691 HydrophobicContact CG2-CG1 4.33Å; V623-L727 HydrophobicContact CG2-CD1 4.33Å; V623-V730 HydrophobicContact CB-CG2 4.46Å; V623-V730 HydrophobicContact CG1-CB 4.33Å; V623-V730 HydrophobicContact CG1-CG2 3.93Å; V623-V730 HydrophobicContact CG2-CG2 4.09Å; V623-L732 HydrophobicContact CG1-CD1 4.38Å; V623-L732 HydrophobicContact CG1-CG 3.83Å
624	P	97.3	Very high	85.4	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	29%	0.292	C	S	.	.			trans	-61.6	136	-179.8	-32.1	43.3	0	0	0	113.3	V622 F626 T666 Y668 W671 V726 L727 F731 L732	V622-P624 WeakPolarHBondContact O-CD 3.43Å; P624-F626 HydrophobicContact CB-CE2 3.9Å; P624-F626 HydrophobicContact CB-CZ 4.45Å; P624-T666 HydrophobicContact CB-CG2 4.13Å; P624-T666 HydrophobicContact CG-CG2 3.9Å; P624-Y668 HydrophobicContact CB-CE1 4.16Å; P624-W671 HydrophobicContact CG-CG 4.3Å; P624-V726 HydrophobicContact CG-CG1 3.49Å; P624-V726 VanDerWaalsContact CG-CG1 3.49Å; P624-L727 WeakPolarHBondContact CD-O 3.3Å; P624-F731 CarbonylContact O-C 3.6Å; P624-F731 WeakPolarHBondContact O-CA 3.48Å; P624-L732 PolarHBondContact O-N 3.37Å
625	A	96.9	Very high	86.7	Confident	1 Å²	1	53 Å²	53	1%	0.008	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	137.2	-178.5	0	0	0	0	0	111.9	F592 F654 Y668 Y689	F592-A625 HydrophobicContact CE1-CB 3.73Å; F592-A625 HydrophobicContact CZ-CB 4.42Å; A625-F654 HydrophobicContact CB-CB 3.86Å; A625-F654 HydrophobicContact CB-CD1 4.31Å; A625-F654 HydrophobicContact CB-CG 4.37Å; A625-F654 WeakPolarHBondContact O-CB 3.16Å; A625-F654 PolarHBondContact O-N 3.18Å; A625-Y668 PolarHBondContact N-OH 3.12Å; A625-Y668 VanDerWaalsContact O-CE1 3.31Å; A625-Y668 WeakPolarHBondContact O-CE1 3.41Å; A625-Y668 PolarHBondContact O-OH 3.03Å; A625-Y689 HydrophobicContact CB-CD2 3.68Å; A625-Y689 HydrophobicContact CB-CE2 3.87Å
626	F	96.3	Very high	88.3	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	166.9	177.1	-62.2	-94.8	0	0	0	109.9	P624 L642 W646 I651 L652 P653 Y668 W671 F731 L732 I733 H734	P624-F626 HydrophobicContact CB-CE2 3.9Å; P624-F626 HydrophobicContact CB-CZ 4.45Å; F626-L642 HydrophobicContact CB-CD1 4.28Å; F626-L642 HydrophobicContact CD1-CD1 4.26Å; F626-L642 HydrophobicContact CD1-CD2 4.15Å; F626-L642 HydrophobicContact CD1-CG 4.49Å; F626-L642 HydrophobicContact CD2-CD1 4.35Å; F626-L642 HydrophobicContact CD2-CD2 3.73Å; F626-L642 HydrophobicContact CE1-CD2 3.95Å; F626-L642 HydrophobicContact CE2-CD2 3.52Å; F626-L642 HydrophobicContact CG-CD1 4.03Å; F626-L642 HydrophobicContact CG-CD2 4.05Å; F626-L642 HydrophobicContact CZ-CD2 3.64Å; F626-W646 AromaticContact CE1-CE3 3.92Å; F626-W646 HydrophobicContact CE1-CE3 3.92Å; F626-W646 AromaticContact CE1-CZ3 3.97Å; F626-W646 HydrophobicContact CE1-CZ3 3.97Å; F626-I651 HydrophobicContact CB-CG2 3.6Å; F626-I651 HydrophobicContact CD1-CG2 4.38Å; F626-I651 HydrophobicContact CG-CG2 4.32Å; F626-L652 CarbonylContact C-O 3.56Å; F626-L652 WeakPolarHBondContact CA-O 3.37Å; F626-L652 WeakPolarHBondContact CB-O 3.36Å; F626-P653 HydrophobicContact CE1-CG 4.47Å; F626-Y668 AromaticContact CE1-CD1 3.88Å; F626-Y668 HydrophobicContact CE1-CD1 3.88Å; F626-Y668 HydrophobicContact CE1-CE1 4.05Å; F626-Y668 HydrophobicContact CE2-CE1 4.25Å; F626-Y668 AromaticContact CZ-CD1 3.82Å; F626-Y668 HydrophobicContact CZ-CD1 3.82Å; F626-Y668 AromaticContact CZ-CE1 3.88Å; F626-Y668 HydrophobicContact CZ-CE1 3.88Å; F626-W671 HydrophobicContact CE1-CZ3 4.31Å; F626-W671 HydrophobicContact CE2-CH2 4.01Å; F626-W671 HydrophobicContact CE2-CZ2 4.37Å; F626-W671 HydrophobicContact CE2-CZ3 4.1Å; F626-W671 HydrophobicContact CZ-CD2 4.31Å; F626-W671 AromaticContact CZ-CE3 3.7Å; F626-W671 HydrophobicContact CZ-CE3 3.7Å; F626-W671 AromaticContact CZ-CH2 3.86Å; F626-W671 HydrophobicContact CZ-CH2 3.86Å; F626-W671 HydrophobicContact CZ-CZ2 4.45Å; F626-W671 AromaticContact CZ-CZ3 3.46Å; F626-W671 HydrophobicContact CZ-CZ3 3.46Å; F626-W671 VanDerWaalsContact CZ-CZ3 3.46Å; F626-F731 HydrophobicContact CD2-CB 3.89Å; F626-F731 HydrophobicContact CE2-CB 3.76Å; F626-L732 PolarHBondContact N-O 3.1Å; F626-I733 CarbonylContact O-C 3.59Å; F626-I733 WeakPolarHBondContact O-CA 3.37Å; F626-H734 WeakPolarHBondContact O-CB 3.3Å; F626-H734 PolarHBondContact O-N 3.45Å
627	E	94.7	Very high	89.6	Confident	10 Å²	10	49.6 Å²	49.6	5%	0.047	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	145	179.7	70.4	-172.2	163.1	0	0	112.2	F629 I651 L652 F654 R655 H734	E627-F629 HydrophobicContact CG-CE2 3.95Å; E627-F629 HydrophobicContact CG-CZ 3.97Å; E627-I651 WeakPolarHBondContact O-CA 3.33Å; E627-L652 PolarHBondContact N-O 3.2Å; E627-L652 PolarHBondContact O-N 2.81Å; E627-F654 HydrophobicContact CB-CD2 3.98Å; E627-R655 WeakPolarHBondContact OE1-CA 3.37Å; E627-R655 PolarHBondContact OE1-N 2.87Å; E627-R655 PolarHBondContact OE2-N 2.81Å; E627-H734 HydrophobicContact CB-CB 4.03Å
628	T	93	Very high	90.7	Very high	2 Å²	2	46 Å²	46	1%	0.012	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	148.3	169.4	179.5	0	0	0	0	110.1	K630 L635 I733 H734 L735 P736	T628-K630 PolarHBondContact OG1-N 2.84Å; T628-K630 VanDerWaalsContact OG1-N 3.13Å; T628-L635 HydrophobicContact CG2-CD2 4.44Å; T628-I733 HydrophobicContact CG2-CG2 4.05Å; T628-H734 PolarHBondContact N-O 3.2Å; T628-L735 HydrophobicContact CG2-CD2 4Å; T628-P736 WeakPolarHBondContact O-CD 3.46Å
629	F	86	Confident	91	Very high	115 Å²	115	43.9 Å²	43.9	50%	0.504	21%	0.209	S	C	.	.			trans	-106.5	1.9	173	-58.6	-81.8	0	0	0	112.1	E627	E627-F629 HydrophobicContact CG-CE2 3.95Å; E627-F629 HydrophobicContact CG-CZ 3.97Å
630	K	85.7	Confident	91	Very high	103 Å²	103	49.2 Å²	49.2	45%	0.448	23%	0.234	S	C	.	.			trans	-98.4	126.3	-179.7	-67.7	-170.4	176.8	-170.3	0	110.5	T628 H632 L633 E650	T628-K630 PolarHBondContact OG1-N 2.84Å; T628-K630 VanDerWaalsContact OG1-N 3.13Å; K630-H632 VanDerWaalsContact C-N 3.34Å; K630-H632 PolarHBondContact O-N 3.27Å; K630-L633 HydrophobicContact CB-CB 4.04Å; K630-E650 HydrophobicContact CD-CG 4.26Å; K630-E650 IonicContact NZ-OE1 2.73Å; K630-E650 PolarHBondContact NZ-OE1 2.76Å
631	N	76.2	Confident	91	Very high	125 Å²	125	51.7 Å²	51.7	67%	0.668	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-20.8	-179.3	-67.8	-12.2	0	0	0	114.3	P736	N631-P736 WeakPolarHBondContact OD1-CG 3.43Å
632	H	77.4	Confident	90.9	Very high	188 Å²	188	51.7 Å²	51.7	87%	0.87	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-123.5	31.1	-172.6	-58.9	-58.1	0	0	0	113.1	K630	K630-H632 VanDerWaalsContact C-N 3.34Å; K630-H632 PolarHBondContact O-N 3.27Å
633	L	79.9	Confident	90.9	Very high	36 Å²	36	53.1 Å²	53.1	19%	0.188	25%	0.254	C	S	.	.			trans	-82.3	133.6	179.8	-174.7	66.3	0	0	0	110.7	K630 L635 E650 I651	K630-L633 HydrophobicContact CB-CB 4.04Å; L633-L635 PolarHBondContact O-N 2.87Å; L633-L635 VanDerWaalsContact O-N 3.12Å; L633-E650 WeakPolarHBondContact CD1-OE2 3.4Å; L633-E650 HydrophobicContact CD2-CB 4.38Å; L633-I651 HydrophobicContact CD2-CD1 3.76Å; L633-I651 HydrophobicContact CD2-CG1 3.66Å
634	K	87.9	Confident	90.7	Very high	160 Å²	160	58.8 Å²	58.8	70%	0.696	28%	0.279	S	S	*	.			trans	-65.7	111.4	164.2	-172.9	-173.8	179.4	-162.3	0	107.6	E637	K634-E637 WeakPolarHBondContact CE-OE1 3.33Å; K634-E637 IonicContact NZ-OE1 3.63Å; K634-E637 PolarHBondContact NZ-OE1 2.95Å
635	L	90.4	Very high	90.6	Very high	18 Å²	18	59.6 Å²	59.6	9%	0.094	29%	0.285	C	S	.	.			trans	-66.2	136.7	-179	-58.3	176.2	0	0	0	110	L593 T628 L633 I733 L735	L593-L635 HydrophobicContact CB-CD1 4.42Å; L593-L635 HydrophobicContact CD1-CD1 3.73Å; T628-L635 HydrophobicContact CG2-CD2 4.44Å; L633-L635 PolarHBondContact O-N 2.87Å; L633-L635 VanDerWaalsContact O-N 3.12Å; L635-I733 HydrophobicContact CB-CD1 3.96Å; L635-I733 HydrophobicContact CD2-CD1 4.09Å; L635-I733 HydrophobicContact CD2-CG2 4.06Å; L635-I733 HydrophobicContact CG-CD1 4.46Å; L635-L735 HydrophobicContact CD1-CD2 4.08Å; L635-L735 HydrophobicContact CD2-CD2 3.76Å
636	P	92.9	Very high	90.5	Very high	6 Å²	6	62 Å²	62	4%	0.039	29%	0.294	C	S	.	.			trans	-62.6	141.1	179.4	25.9	-35.6	0	0	0	111.1	D641 L642 I651 F731 I733	P636-D641 HydrophobicContact CB-CB 3.69Å; P636-L642 HydrophobicContact CB-CB 4.02Å; P636-L642 VanDerWaalsContact CB-N 3.33Å; P636-L642 HydrophobicContact CG-CB 3.92Å; P636-L642 HydrophobicContact CG-CD1 3.69Å; P636-L642 HydrophobicContact CG-CG 4.44Å; P636-I651 HydrophobicContact CG-CD1 3.63Å; P636-F731 HydrophobicContact CB-CZ 4.37Å; P636-F731 HydrophobicContact CG-CE2 4.09Å; P636-F731 HydrophobicContact CG-CZ 4.27Å; P636-I733 HydrophobicContact CG-CD1 3.73Å
637	E	90.3	Very high	90.3	Very high	75 Å²	75	68.2 Å²	68.2	35%	0.35	32%	0.323	S	S	.	.	S	Bend	trans	-95.8	-29.7	-179.2	-66.3	166.9	-148.3	0	0	110.8	E596 K634	E596-E637 HydrophobicContact CB-CG 4.47Å; K634-E637 WeakPolarHBondContact CE-OE1 3.33Å; K634-E637 IonicContact NZ-OE1 3.63Å; K634-E637 PolarHBondContact NZ-OE1 2.95Å
638	T	93	Very high	90.2	Very high	56 Å²	56	73.2 Å²	73.2	34%	0.344	35%	0.349	S	S	.	.	S	Bend	trans	-124.2	167.7	179.3	82.6	0	0	0	0	112.6	E640 D641 L642	T638-E640 VanDerWaalsContact C-N 3.27Å; T638-E640 WeakPolarHBondContact CB-OE2 3.44Å; T638-E640 PolarHBondContact O-N 3.24Å; T638-E640 PolarHBondContact OG1-N 3.47Å; T638-E640 PolarHBondContact OG1-OE2 2.97Å; T638-D641 PolarHBondContact O-N 3.32Å; T638-D641 PolarHBondContact OG1-N 2.89Å; T638-L642 PolarHBondContact O-N 2.97Å
639	K	93.9	Very high	90.1	Very high	19 Å²	19	75.2 Å²	75.2	8%	0.083	37%	0.37	C	S	.	.	H	α-helix	trans	-58.9	-40.8	174.3	-179.6	172.4	-173	169.7	0	111.1	D641 L642 L643 W671 S674 T728	K639-D641 VanDerWaalsContact C-N 3.33Å; K639-D641 PolarHBondContact O-N 2.72Å; K639-L642 WeakPolarHBondContact O-CB 3.27Å; K639-L642 PolarHBondContact O-N 2.87Å; K639-L643 HydrophobicContact CG-CD1 4.3Å; K639-L643 HydrophobicContact CG-CG 4.31Å; K639-L643 VanDerWaalsContact O-CG 3.29Å; K639-L643 WeakPolarHBondContact O-CG 3.25Å; K639-L643 PolarHBondContact O-N 2.82Å; K639-W671 HydrophobicContact CD-CH2 4.02Å; K639-W671 HydrophobicContact CD-CZ2 4.21Å; K639-W671 HydrophobicContact CD-CZ3 4.45Å; K639-W671 WeakPolarHBondContact CE-O 3.35Å; K639-W671 HydrophobicContact CG-CH2 3.75Å; K639-W671 HydrophobicContact CG-CZ2 4.37Å; K639-W671 HydrophobicContact CG-CZ3 4.19Å; K639-W671 PolarHBondContact NZ-O 2.91Å; K639-S674 PolarHBondContact NZ-O 3.38Å; K639-T728 WeakPolarHBondContact CD-O 3.32Å; K639-T728 PolarHBondContact NZ-O 3.38Å
640	E	93.8	Very high	90.4	Very high	119 Å²	119	72 Å²	72	56%	0.556	36%	0.356	S	S	*	.	H	α-helix	trans	-60.9	-43.2	179.2	-61.4	71.7	-155.8	0	0	111.4	T638 L643 K644	T638-E640 VanDerWaalsContact C-N 3.27Å; T638-E640 WeakPolarHBondContact CB-OE2 3.44Å; T638-E640 PolarHBondContact O-N 3.24Å; T638-E640 PolarHBondContact OG1-N 3.47Å; T638-E640 PolarHBondContact OG1-OE2 2.97Å; E640-L643 PolarHBondContact O-N 3.18Å; E640-K644 WeakPolarHBondContact O-CG 3.2Å; E640-K644 PolarHBondContact O-N 2.62Å
641	D	94.2	Very high	90.8	Very high	51 Å²	51	67.1 Å²	67.1	27%	0.273	34%	0.335	S	S	.	.	H	α-helix	trans	-69.4	-35.6	178.1	-69.3	-20.4	0	0	0	112.3	P636 T638 K639 K644 S645	P636-D641 HydrophobicContact CB-CB 3.69Å; T638-D641 PolarHBondContact O-N 3.32Å; T638-D641 PolarHBondContact OG1-N 2.89Å; K639-D641 VanDerWaalsContact C-N 3.33Å; K639-D641 PolarHBondContact O-N 2.72Å; D641-K644 IonicContact OD1-NZ 2.82Å; D641-K644 PolarHBondContact OD1-NZ 2.92Å; D641-S645 WeakPolarHBondContact O-CB 2.81Å; D641-S645 PolarHBondContact O-N 3.05Å; D641-S645 PolarHBondContact O-OG 3.22Å
642	L	95.3	Very high	91.6	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-63.3	-44.9	172.3	179.9	75.5	0	0	0	111.2	F626 P636 T638 K639 K644 S645 W646 I651 W671 F731	F626-L642 HydrophobicContact CB-CD1 4.28Å; F626-L642 HydrophobicContact CD1-CD1 4.26Å; F626-L642 HydrophobicContact CD1-CD2 4.15Å; F626-L642 HydrophobicContact CD1-CG 4.49Å; F626-L642 HydrophobicContact CD2-CD1 4.35Å; F626-L642 HydrophobicContact CD2-CD2 3.73Å; F626-L642 HydrophobicContact CE1-CD2 3.95Å; F626-L642 HydrophobicContact CE2-CD2 3.52Å; F626-L642 HydrophobicContact CG-CD1 4.03Å; F626-L642 HydrophobicContact CG-CD2 4.05Å; F626-L642 HydrophobicContact CZ-CD2 3.64Å; P636-L642 HydrophobicContact CB-CB 4.02Å; P636-L642 VanDerWaalsContact CB-N 3.33Å; P636-L642 HydrophobicContact CG-CB 3.92Å; P636-L642 HydrophobicContact CG-CD1 3.69Å; P636-L642 HydrophobicContact CG-CG 4.44Å; T638-L642 PolarHBondContact O-N 2.97Å; K639-L642 WeakPolarHBondContact O-CB 3.27Å; K639-L642 PolarHBondContact O-N 2.87Å; L642-K644 PolarHBondContact O-N 3.12Å; L642-S645 CarbonylContact O-C 3.6Å; L642-S645 WeakPolarHBondContact O-CB 3.45Å; L642-S645 PolarHBondContact O-N 3.18Å; L642-W646 WeakPolarHBondContact O-CB 3.43Å; L642-W646 PolarHBondContact O-N 2.87Å; L642-I651 HydrophobicContact CD1-CB 4.32Å; L642-I651 HydrophobicContact CD1-CD1 4.14Å; L642-I651 HydrophobicContact CD1-CG2 3.59Å; L642-W671 HydrophobicContact CD2-CH2 3.56Å; L642-W671 HydrophobicContact CD2-CZ3 3.83Å; L642-F731 HydrophobicContact CB-CE1 4.31Å; L642-F731 HydrophobicContact CB-CZ 4.19Å; L642-F731 HydrophobicContact CD1-CD2 4.35Å; L642-F731 HydrophobicContact CD1-CE2 4.31Å; L642-F731 HydrophobicContact CD2-CB 4.21Å; L642-F731 HydrophobicContact CD2-CD1 3.91Å; L642-F731 HydrophobicContact CD2-CD2 4.02Å; L642-F731 HydrophobicContact CD2-CE1 4.28Å; L642-F731 HydrophobicContact CD2-CE2 4.39Å; L642-F731 HydrophobicContact CD2-CG 3.77Å
643	L	95.6	Very high	92.4	Very high	30 Å²	30	53.7 Å²	53.7	16%	0.157	27%	0.27	C	S	.	.	H	α-helix	trans	-63.5	-40.5	179.1	-69.4	-175.9	0	0	0	111.9	K639 E640 W646 E647 W671 K672	K639-L643 HydrophobicContact CG-CD1 4.3Å; K639-L643 HydrophobicContact CG-CG 4.31Å; K639-L643 VanDerWaalsContact O-CG 3.29Å; K639-L643 WeakPolarHBondContact O-CG 3.25Å; K639-L643 PolarHBondContact O-N 2.82Å; E640-L643 PolarHBondContact O-N 3.18Å; L643-W646 HydrophobicContact CD2-CE3 3.81Å; L643-W646 HydrophobicContact CD2-CZ3 4.18Å; L643-W646 PolarHBondContact O-N 2.86Å; L643-E647 WeakPolarHBondContact O-CG 3.17Å; L643-E647 PolarHBondContact O-N 3.27Å; L643-W671 HydrophobicContact CD2-CZ3 4.17Å; L643-K672 HydrophobicContact CD1-CG 4.36Å; L643-K672 HydrophobicContact CD2-CB 4.22Å; L643-K672 HydrophobicContact CD2-CD 4.06Å; L643-K672 HydrophobicContact CD2-CG 3.69Å
644	K	94.9	Very high	93	Very high	121 Å²	121	52.3 Å²	52.3	53%	0.526	26%	0.262	S	S	.	.	H	α-helix	trans	-59.2	-46.6	171.9	-69	169.4	-164.3	157.3	0	111.4	E640 D641 L642 W646 E647 I648	E640-K644 WeakPolarHBondContact O-CG 3.2Å; E640-K644 PolarHBondContact O-N 2.62Å; D641-K644 IonicContact OD1-NZ 2.82Å; D641-K644 PolarHBondContact OD1-NZ 2.92Å; L642-K644 PolarHBondContact O-N 3.12Å; K644-W646 PolarHBondContact O-N 2.92Å; K644-E647 PolarHBondContact O-N 3.18Å; K644-I648 WeakPolarHBondContact O-CG1 3.45Å; K644-I648 PolarHBondContact O-N 2.76Å
645	S	93.8	Very high	92.9	Very high	17 Å²	17	48.3 Å²	48.3	12%	0.119	24%	0.243	C	C	.	.	H	α-helix	trans	-64.7	-30.6	178.7	-55.1	0	0	0	0	112.3	D641 L642 I648 G649 E650 I651	D641-S645 WeakPolarHBondContact O-CB 2.81Å; D641-S645 PolarHBondContact O-N 3.05Å; D641-S645 PolarHBondContact O-OG 3.22Å; L642-S645 CarbonylContact O-C 3.6Å; L642-S645 WeakPolarHBondContact O-CB 3.45Å; L642-S645 PolarHBondContact O-N 3.18Å; S645-I648 WeakPolarHBondContact O-CG1 3.36Å; S645-G649 PolarHBondContact O-N 2.92Å; S645-E650 PolarHBondContact O-N 3.02Å; S645-I651 PolarHBondContact O-N 2.96Å
646	W	94.3	Very high	92.5	Very high	50 Å²	50	52.8 Å²	52.8	19%	0.189	26%	0.263	C	S	.	.	H	α-helix	trans	-73.2	-42.1	174.8	-176.2	4.2	0	0	0	112	F626 L642 L643 K644 I648 G649 I651 P653 K672	F626-W646 AromaticContact CE1-CE3 3.92Å; F626-W646 HydrophobicContact CE1-CE3 3.92Å; F626-W646 AromaticContact CE1-CZ3 3.97Å; F626-W646 HydrophobicContact CE1-CZ3 3.97Å; L642-W646 WeakPolarHBondContact O-CB 3.43Å; L642-W646 PolarHBondContact O-N 2.87Å; L643-W646 HydrophobicContact CD2-CE3 3.81Å; L643-W646 HydrophobicContact CD2-CZ3 4.18Å; L643-W646 PolarHBondContact O-N 2.86Å; K644-W646 PolarHBondContact O-N 2.92Å; W646-I648 VanDerWaalsContact C-N 3.27Å; W646-I648 PolarHBondContact O-N 2.75Å; W646-G649 WeakPolarHBondContact O-CA 3.21Å; W646-G649 PolarHBondContact O-N 3.25Å; W646-I651 WeakPolarHBondContact CA-O 3.1Å; W646-I651 WeakPolarHBondContact CB-O 3.47Å; W646-P653 HydrophobicContact CH2-CG 4.01Å; W646-P653 HydrophobicContact CZ2-CG 3.61Å; W646-K672 HydrophobicContact CE3-CD 4.45Å; W646-K672 HydrophobicContact CH2-CB 4.26Å; W646-K672 HydrophobicContact CH2-CD 4.46Å; W646-K672 HydrophobicContact CZ3-CB 3.95Å; W646-K672 HydrophobicContact CZ3-CD 4.22Å; W646-K672 HydrophobicContact CZ3-CG 4.45Å
647	E	93.6	Very high	92	Very high	132 Å²	132	60 Å²	60	62%	0.617	29%	0.294	S	S	*	.	H	α-helix	trans	-60.5	-35.7	178.7	-76.2	171	-177.2	0	0	113.2	L643 K644 G649 K672	L643-E647 WeakPolarHBondContact O-CG 3.17Å; L643-E647 PolarHBondContact O-N 3.27Å; K644-E647 PolarHBondContact O-N 3.18Å; E647-G649 VanDerWaalsContact C-N 3.3Å; E647-K672 IonicContact OE1-NZ 3.76Å; E647-K672 PolarHBondContact OE1-NZ 2.97Å
648	I	92.6	Very high	91.7	Very high	115 Å²	115	62.8 Å²	62.8	59%	0.59	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-1.1	174.7	63.6	176	0	0	0	113.8	K644 S645 W646 E650	K644-I648 WeakPolarHBondContact O-CG1 3.45Å; K644-I648 PolarHBondContact O-N 2.76Å; S645-I648 WeakPolarHBondContact O-CG1 3.36Å; W646-I648 VanDerWaalsContact C-N 3.27Å; W646-I648 PolarHBondContact O-N 2.75Å; I648-E650 HydrophobicContact CD1-CB 4.31Å; I648-E650 HydrophobicContact CD1-CG 3.69Å; I648-E650 WeakPolarHBondContact CD1-OE2 3.21Å; I648-E650 HydrophobicContact CG1-CB 4.17Å; I648-E650 HydrophobicContact CG1-CG 3.8Å; I648-E650 PolarHBondContact O-N 2.95Å
649	G	91.4	Very high	91.1	Very high	44 Å²	44	63.3 Å²	63.3	45%	0.454	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.8	15.8	176.4	0	0	0	0	0	115.4	S645 W646 E647	S645-G649 PolarHBondContact O-N 2.92Å; W646-G649 WeakPolarHBondContact O-CA 3.21Å; W646-G649 PolarHBondContact O-N 3.25Å; E647-G649 VanDerWaalsContact C-N 3.3Å
650	E	91.2	Very high	90.6	Very high	47 Å²	47	65.5 Å²	65.5	22%	0.22	32%	0.323	C	S	.	.	S	Bend	trans	-79.3	-35.6	177.9	-72.2	-173.5	158.8	0	0	112.7	K630 L633 S645 I648	K630-E650 HydrophobicContact CD-CG 4.26Å; K630-E650 IonicContact NZ-OE1 2.73Å; K630-E650 PolarHBondContact NZ-OE1 2.76Å; L633-E650 WeakPolarHBondContact CD1-OE2 3.4Å; L633-E650 HydrophobicContact CD2-CB 4.38Å; S645-E650 PolarHBondContact O-N 3.02Å; I648-E650 HydrophobicContact CD1-CB 4.31Å; I648-E650 HydrophobicContact CD1-CG 3.69Å; I648-E650 WeakPolarHBondContact CD1-OE2 3.21Å; I648-E650 HydrophobicContact CG1-CB 4.17Å; I648-E650 HydrophobicContact CG1-CG 3.8Å; I648-E650 PolarHBondContact O-N 2.95Å
651	I	93.7	Very high	90.2	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	129.5	176.1	-61	179.7	0	0	0	108.7	F626 E627 L633 P636 L642 S645 W646	F626-I651 HydrophobicContact CB-CG2 3.6Å; F626-I651 HydrophobicContact CD1-CG2 4.38Å; F626-I651 HydrophobicContact CG-CG2 4.32Å; E627-I651 WeakPolarHBondContact O-CA 3.33Å; L633-I651 HydrophobicContact CD2-CD1 3.76Å; L633-I651 HydrophobicContact CD2-CG1 3.66Å; P636-I651 HydrophobicContact CG-CD1 3.63Å; L642-I651 HydrophobicContact CD1-CB 4.32Å; L642-I651 HydrophobicContact CD1-CD1 4.14Å; L642-I651 HydrophobicContact CD1-CG2 3.59Å; S645-I651 PolarHBondContact O-N 2.96Å; W646-I651 WeakPolarHBondContact CA-O 3.1Å; W646-I651 WeakPolarHBondContact CB-O 3.47Å
652	L	94.2	Very high	90	Very high	26 Å²	26	58.8 Å²	58.8	14%	0.136	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	161.5	-179.2	-63.3	175.6	0	0	0	110.4	F626 E627 F654	F626-L652 CarbonylContact C-O 3.56Å; F626-L652 WeakPolarHBondContact CA-O 3.37Å; F626-L652 WeakPolarHBondContact CB-O 3.36Å; E627-L652 PolarHBondContact N-O 3.2Å; E627-L652 PolarHBondContact O-N 2.81Å; L652-F654 PolarHBondContact O-N 3.28Å
653	P	93.8	Very high	89.8	Confident	6 Å²	6	59 Å²	59	4%	0.039	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.2	137.1	167.4	-26.7	36	0	0	0	111.1	F626 W646 R655 H656 Y668	F626-P653 HydrophobicContact CE1-CG 4.47Å; W646-P653 HydrophobicContact CH2-CG 4.01Å; W646-P653 HydrophobicContact CZ2-CG 3.61Å; P653-R655 PolarHBondContact O-N 3.08Å; P653-H656 HydrophobicContact CB-CB 4.21Å; P653-H656 WeakPolarHBondContact O-CB 3.38Å; P653-H656 PolarHBondContact O-N 3.45Å; P653-H656 VanDerWaalsContact O-N 3.16Å; P653-Y668 HydrophobicContact CB-CD1 3.71Å; P653-Y668 HydrophobicContact CB-CD2 3.86Å; P653-Y668 HydrophobicContact CB-CE1 3.78Å; P653-Y668 HydrophobicContact CB-CE2 3.95Å; P653-Y668 HydrophobicContact CB-CG 3.73Å; P653-Y668 HydrophobicContact CG-CD1 3.86Å; P653-Y668 HydrophobicContact CG-CD2 4.39Å; P653-Y668 HydrophobicContact CG-CE1 4.39Å; P653-Y668 HydrophobicContact CG-CG 3.85Å
654	F	92.2	Very high	89.5	Confident	7 Å²	7	63.4 Å²	63.4	3%	0.031	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	132.5	-171.1	175.2	-122.8	0	0	0	112.1	F592 A625 E627 L652 H656 H663 Y689 H734	F592-F654 HydrophobicContact CE1-CD1 4.44Å; F592-F654 HydrophobicContact CE1-CD2 4.43Å; F592-F654 HydrophobicContact CE1-CG 4.34Å; F592-F654 HydrophobicContact CE2-CE1 4.39Å; F592-F654 HydrophobicContact CE2-CE2 4.47Å; F592-F654 HydrophobicContact CE2-CZ 4.13Å; F592-F654 AromaticContact CZ-CD1 3.84Å; F592-F654 HydrophobicContact CZ-CD1 3.84Å; F592-F654 AromaticContact CZ-CD2 3.98Å; F592-F654 HydrophobicContact CZ-CD2 3.98Å; F592-F654 AromaticContact CZ-CE1 3.67Å; F592-F654 HydrophobicContact CZ-CE1 3.67Å; F592-F654 AromaticContact CZ-CE2 3.77Å; F592-F654 HydrophobicContact CZ-CE2 3.77Å; F592-F654 HydrophobicContact CZ-CG 4.02Å; F592-F654 AromaticContact CZ-CZ 3.61Å; F592-F654 HydrophobicContact CZ-CZ 3.61Å; A625-F654 HydrophobicContact CB-CB 3.86Å; A625-F654 HydrophobicContact CB-CD1 4.31Å; A625-F654 HydrophobicContact CB-CG 4.37Å; A625-F654 WeakPolarHBondContact O-CB 3.16Å; A625-F654 PolarHBondContact O-N 3.18Å; E627-F654 HydrophobicContact CB-CD2 3.98Å; L652-F654 PolarHBondContact O-N 3.28Å; F654-H656 PolarHBondContact O-N 3.01Å; F654-H656 VanDerWaalsContact O-N 3.07Å; F654-H663 AromaticContact CD1-CD2 3.65Å; F654-H663 AromaticContact CD1-CE1 3.58Å; F654-H663 AromaticContact CD1-NE2 3.17Å; F654-H663 WeakPolarHBondContact CD1-NE2 2.95Å; F654-H663 AromaticContact CE1-NE2 3.43Å; F654-H663 WeakPolarHBondContact CE1-NE2 3.27Å; F654-Y689 HydrophobicContact CD1-CE2 4.38Å; F654-Y689 HydrophobicContact CE1-CE2 4.33Å; F654-H734 HydrophobicContact CD2-CB 3.76Å; F654-H734 AromaticContact CD2-CG 3.9Å; F654-H734 HydrophobicContact CE2-CB 3.86Å; F654-H734 AromaticContact CE2-CD2 3.59Å; F654-H734 AromaticContact CE2-CG 3.48Å; F654-H734 VanDerWaalsContact CE2-CG 3.48Å; F654-H734 AromaticContact CE2-ND1 3.84Å; F654-H734 AromaticContact CE2-NE2 3.94Å
655	R	85.8	Confident	89.3	Confident	75 Å²	75	58.6 Å²	58.6	28%	0.283	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.1	19.6	-176.9	-64.9	-171.6	171.3	-177.9	1.9	115.6	E627 P653 K657 I658 W659	E627-R655 WeakPolarHBondContact OE1-CA 3.37Å; E627-R655 PolarHBondContact OE1-N 2.87Å; E627-R655 PolarHBondContact OE2-N 2.81Å; P653-R655 PolarHBondContact O-N 3.08Å; R655-K657 PolarHBondContact O-N 2.92Å; R655-I658 PolarHBondContact O-N 2.85Å; R655-I658 VanDerWaalsContact O-N 3.08Å; R655-W659 HydrophobicContact CB-CB 4.44Å; R655-W659 CarbonylContact O-C 3.59Å; R655-W659 PolarHBondContact O-N 3.08Å
656	H	82.7	Confident	89.4	Confident	113 Å²	113	57.8 Å²	57.8	52%	0.523	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-33.9	-177.7	178.2	-105.6	0	0	0	113.5	P653 F654	P653-H656 HydrophobicContact CB-CB 4.21Å; P653-H656 WeakPolarHBondContact O-CB 3.38Å; P653-H656 PolarHBondContact O-N 3.45Å; P653-H656 VanDerWaalsContact O-N 3.16Å; F654-H656 PolarHBondContact O-N 3.01Å; F654-H656 VanDerWaalsContact O-N 3.07Å
657	K	82.1	Confident	89.4	Confident	157 Å²	157	59 Å²	59	68%	0.683	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-27.4	-178.4	-66.2	-178.6	179	176.2	0	115	R655	R655-K657 PolarHBondContact O-N 2.92Å
658	I	83	Confident	89.5	Confident	133 Å²	133	53.7 Å²	53.7	68%	0.682	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.5	-35.1	-167.5	-60.7	170.9	0	0	0	111.1	R655	R655-I658 PolarHBondContact O-N 2.85Å; R655-I658 VanDerWaalsContact O-N 3.08Å
659	W	81.7	Confident	89.5	Confident	68 Å²	68	52.6 Å²	52.6	26%	0.258	28%	0.28	S	S	.	.			trans	-155.1	70.6	-175.5	-173.8	43.9	0	0	0	110.7	R655 A661 G662 D685 E687	R655-W659 HydrophobicContact CB-CB 4.44Å; R655-W659 CarbonylContact O-C 3.59Å; R655-W659 PolarHBondContact O-N 3.08Å; W659-A661 VanDerWaalsContact C-N 3.28Å; W659-A661 PolarHBondContact O-N 3.16Å; W659-G662 PolarHBondContact O-N 2.83Å; W659-D685 HydrophobicContact CZ2-CB 3.81Å; W659-E687 HydrophobicContact CH2-CB 4.35Å; W659-E687 HydrophobicContact CH2-CG 3.92Å; W659-E687 WeakPolarHBondContact CH2-OE2 3.21Å; W659-E687 HydrophobicContact CZ3-CB 4.41Å; W659-E687 HydrophobicContact CZ3-CG 4.41Å; W659-E687 WeakPolarHBondContact CZ3-OE2 3.16Å
660	S	83.4	Confident	89.7	Confident	65 Å²	65	54.2 Å²	54.2	46%	0.455	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-59.7	-36.7	-177.6	54.1	0	0	0	0	113	G662 H663 M664	S660-G662 PolarHBondContact O-N 2.8Å; S660-G662 VanDerWaalsContact O-N 3.12Å; S660-H663 PolarHBondContact O-N 2.81Å; S660-H663 VanDerWaalsContact O-N 3.1Å; S660-M664 VanDerWaalsContact O-CB 3.3Å; S660-M664 WeakPolarHBondContact O-CB 3.36Å; S660-M664 PolarHBondContact O-N 3.46Å
661	A	85.5	Confident	90	Very high	29 Å²	29	52 Å²	52	24%	0.24	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-53	-34.6	178.7	0	0	0	0	0	112.8	W659 H663 D685	W659-A661 VanDerWaalsContact C-N 3.28Å; W659-A661 PolarHBondContact O-N 3.16Å; A661-H663 PolarHBondContact O-N 3.06Å; A661-D685 HydrophobicContact CB-CB 4.25Å
662	G	88.4	Confident	90	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-61.8	-27.2	-179.4	0	0	0	0	0	114.9	W659 S660 D685 Y686 E687	W659-G662 PolarHBondContact O-N 2.83Å; S660-G662 PolarHBondContact O-N 2.8Å; S660-G662 VanDerWaalsContact O-N 3.12Å; G662-D685 WeakPolarHBondContact CA-O 3.34Å; G662-Y686 WeakPolarHBondContact O-CD2 3.42Å; G662-E687 PolarHBondContact O-N 3.22Å
663	H	91.2	Very high	90	Very high	4 Å²	4	60.6 Å²	60.6	2%	0.019	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-134.6	-8.9	-172.4	-69.3	-83.8	0	0	0	114.4	F654 S660 A661 S665 T666 Y668 E687	F654-H663 AromaticContact CD1-CD2 3.65Å; F654-H663 AromaticContact CD1-CE1 3.58Å; F654-H663 AromaticContact CD1-NE2 3.17Å; F654-H663 WeakPolarHBondContact CD1-NE2 2.95Å; F654-H663 AromaticContact CE1-NE2 3.43Å; F654-H663 WeakPolarHBondContact CE1-NE2 3.27Å; S660-H663 PolarHBondContact O-N 2.81Å; S660-H663 VanDerWaalsContact O-N 3.1Å; A661-H663 PolarHBondContact O-N 3.06Å; H663-S665 PolarHBondContact O-N 3.25Å; H663-S665 VanDerWaalsContact O-N 3.14Å; H663-T666 VanDerWaalsContact O-CB 3.3Å; H663-T666 WeakPolarHBondContact O-CB 3.24Å; H663-T666 PolarHBondContact O-N 3.35Å; H663-T666 PolarHBondContact O-OG1 2.82Å; H663-Y668 HydrophobicContact CB-CE2 3.93Å; H663-Y668 WeakPolarHBondContact O-CE2 3.38Å; H663-E687 PolarHBondContact CE1-O 2.65Å
664	M	89.3	Confident	90	Very high	122 Å²	122	61 Å²	61	60%	0.601	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-60.5	-29.5	-174.4	66	177	-66.4	0	0	114.1	S660 T666 N667	S660-M664 VanDerWaalsContact O-CB 3.3Å; S660-M664 WeakPolarHBondContact O-CB 3.36Å; S660-M664 PolarHBondContact O-N 3.46Å; M664-T666 PolarHBondContact O-N 2.7Å; M664-T666 VanDerWaalsContact O-N 3.16Å; M664-N667 PolarHBondContact O-N 3.4Å
665	S	92.4	Very high	90	Very high	20 Å²	20	66.9 Å²	66.9	14%	0.14	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-61.6	-21.3	176.4	-65	0	0	0	0	113.7	H663 N667 V680 S683	H663-S665 PolarHBondContact O-N 3.25Å; H663-S665 VanDerWaalsContact O-N 3.14Å; S665-N667 PolarHBondContact O-N 3.05Å; S665-V680 VanDerWaalsContact O-CB 3.32Å; S665-V680 WeakPolarHBondContact O-CB 3.44Å; S665-V680 VanDerWaalsContact O-CG1 3.27Å; S665-V680 WeakPolarHBondContact O-CG1 3.26Å; S665-S683 VanDerWaalsContact OG-CB 3.23Å; S665-S683 WeakPolarHBondContact OG-CB 3.49Å; S665-S683 PolarHBondContact OG-OG 2.92Å
666	T	95	Very high	90.4	Very high	1 Å²	1	69.6 Å²	69.6	1%	0.006	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-62.8	-21	173.1	-55.5	0	0	0	0	112.2	P624 H663 M664 Y668 Y678 Y686 V726	P624-T666 HydrophobicContact CB-CG2 4.13Å; P624-T666 HydrophobicContact CG-CG2 3.9Å; H663-T666 VanDerWaalsContact O-CB 3.3Å; H663-T666 WeakPolarHBondContact O-CB 3.24Å; H663-T666 PolarHBondContact O-N 3.35Å; H663-T666 PolarHBondContact O-OG1 2.82Å; M664-T666 PolarHBondContact O-N 2.7Å; M664-T666 VanDerWaalsContact O-N 3.16Å; T666-Y668 HydrophobicContact CG2-CE1 4.49Å; T666-Y668 HydrophobicContact CG2-CE2 4.22Å; T666-Y678 PolarHBondContact O-OH 2.91Å; T666-Y686 WeakPolarHBondContact OG1-CE2 3.44Å; T666-Y686 PolarHBondContact OG1-OH 3.02Å; T666-V726 HydrophobicContact CG2-CG1 3.92Å; T666-V726 HydrophobicContact CG2-CG2 4.19Å
667	N	94.9	Very high	91	Very high	76 Å²	76	65.9 Å²	65.9	41%	0.406	35%	0.347	S	S	.	.			trans	55.7	66.7	-178.9	-167.9	-10.1	0	0	0	112.3	M664 S665 S669 H670 W671 Y678	M664-N667 PolarHBondContact O-N 3.4Å; S665-N667 PolarHBondContact O-N 3.05Å; N667-S669 PolarHBondContact O-N 3.49Å; N667-H670 HydrophobicContact CB-CB 4.16Å; N667-H670 WeakPolarHBondContact ND2-CB 3.22Å; N667-H670 WeakPolarHBondContact O-CB 3.37Å; N667-H670 PolarHBondContact O-N 2.96Å; N667-H670 WeakPolarHBondContact OD1-CB 3.43Å; N667-H670 PolarHBondContact OD1-N 3.45Å; N667-H670 VanDerWaalsContact OD1-N 3.12Å; N667-W671 PolarHBondContact O-N 3.02Å; N667-Y678 HydrophobicContact CB-CE2 4.48Å; N667-Y678 PolarHBondContact O-OH 3.32Å
668	Y	94.9	Very high	91.7	Very high	20 Å²	20	59.6 Å²	59.6	8%	0.078	32%	0.319	C	S	.	.	H	α-helix	trans	-60.1	-29.8	-177.3	-72.1	-90.5	0	0	0	113.8	P624 A625 F626 P653 H663 T666 W671 K672	P624-Y668 HydrophobicContact CB-CE1 4.16Å; A625-Y668 PolarHBondContact N-OH 3.12Å; A625-Y668 VanDerWaalsContact O-CE1 3.31Å; A625-Y668 WeakPolarHBondContact O-CE1 3.41Å; A625-Y668 PolarHBondContact O-OH 3.03Å; F626-Y668 AromaticContact CE1-CD1 3.88Å; F626-Y668 HydrophobicContact CE1-CD1 3.88Å; F626-Y668 HydrophobicContact CE1-CE1 4.05Å; F626-Y668 HydrophobicContact CE2-CE1 4.25Å; F626-Y668 AromaticContact CZ-CD1 3.82Å; F626-Y668 HydrophobicContact CZ-CD1 3.82Å; F626-Y668 AromaticContact CZ-CE1 3.88Å; F626-Y668 HydrophobicContact CZ-CE1 3.88Å; P653-Y668 HydrophobicContact CB-CD1 3.71Å; P653-Y668 HydrophobicContact CB-CD2 3.86Å; P653-Y668 HydrophobicContact CB-CE1 3.78Å; P653-Y668 HydrophobicContact CB-CE2 3.95Å; P653-Y668 HydrophobicContact CB-CG 3.73Å; P653-Y668 HydrophobicContact CG-CD1 3.86Å; P653-Y668 HydrophobicContact CG-CD2 4.39Å; P653-Y668 HydrophobicContact CG-CE1 4.39Å; P653-Y668 HydrophobicContact CG-CG 3.85Å; H663-Y668 HydrophobicContact CB-CE2 3.93Å; H663-Y668 WeakPolarHBondContact O-CE2 3.38Å; T666-Y668 HydrophobicContact CG2-CE1 4.49Å; T666-Y668 HydrophobicContact CG2-CE2 4.22Å; Y668-W671 PolarHBondContact O-N 3.18Å; Y668-K672 WeakPolarHBondContact O-CB 3.41Å; Y668-K672 PolarHBondContact O-N 3.17Å
669	S	93.2	Very high	92.4	Very high	91 Å²	91	57.5 Å²	57.5	64%	0.636	31%	0.307	S	S	*	.	H	α-helix	trans	-64.9	-41.3	174.8	-56.6	0	0	0	0	111.6	N667	N667-S669 PolarHBondContact O-N 3.49Å
670	H	95.8	Very high	93	Very high	78 Å²	78	54.9 Å²	54.9	36%	0.361	30%	0.298	S	S	.	.	H	α-helix	trans	-68.5	-45.6	171.4	-174.9	-119.4	0	0	0	111	N667 K672 L673 S674 Y678	N667-H670 HydrophobicContact CB-CB 4.16Å; N667-H670 WeakPolarHBondContact ND2-CB 3.22Å; N667-H670 WeakPolarHBondContact O-CB 3.37Å; N667-H670 PolarHBondContact O-N 2.96Å; N667-H670 WeakPolarHBondContact OD1-CB 3.43Å; N667-H670 PolarHBondContact OD1-N 3.45Å; N667-H670 VanDerWaalsContact OD1-N 3.12Å; H670-K672 PolarHBondContact O-N 3.41Å; H670-L673 PolarHBondContact O-N 3.41Å; H670-S674 PolarHBondContact CD2-OG 3.45Å; H670-S674 VanDerWaalsContact CD2-OG 3.31Å; H670-S674 PolarHBondContact CE1-OG 2.88Å; H670-S674 VanDerWaalsContact CE1-OG 3.23Å; H670-S674 PolarHBondContact ND1-OG 2.96Å; H670-S674 PolarHBondContact NE2-OG 3Å; H670-S674 VanDerWaalsContact NE2-OG 3.1Å; H670-S674 WeakPolarHBondContact O-CB 3.5Å; H670-S674 PolarHBondContact O-N 3.5Å; H670-S674 PolarHBondContact O-OG 2.9Å; H670-Y678 AromaticContact CE1-CD1 3.62Å; H670-Y678 AromaticContact CE1-CD2 3.87Å; H670-Y678 AromaticContact CE1-CG 3.5Å; H670-Y678 AromaticContact ND1-CD1 3.45Å; H670-Y678 WeakPolarHBondContact ND1-CD1 3.28Å; H670-Y678 AromaticContact ND1-CD2 3.44Å; H670-Y678 WeakPolarHBondContact ND1-CD2 3.06Å; H670-Y678 AromaticContact ND1-CE1 3.47Å; H670-Y678 WeakPolarHBondContact ND1-CE1 3.48Å; H670-Y678 AromaticContact ND1-CE2 3.47Å; H670-Y678 WeakPolarHBondContact ND1-CE2 3.32Å; H670-Y678 AromaticContact ND1-CG 3.44Å; H670-Y678 AromaticContact ND1-CZ 3.5Å
671	W	96.4	Very high	93.5	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-52.8	-41.7	177.4	-171.4	81.2	0	0	0	113.2	P624 F626 K639 L642 L643 N667 Y668 L673 S674 Y678 L727 F731	P624-W671 HydrophobicContact CG-CG 4.3Å; F626-W671 HydrophobicContact CE1-CZ3 4.31Å; F626-W671 HydrophobicContact CE2-CH2 4.01Å; F626-W671 HydrophobicContact CE2-CZ2 4.37Å; F626-W671 HydrophobicContact CE2-CZ3 4.1Å; F626-W671 HydrophobicContact CZ-CD2 4.31Å; F626-W671 AromaticContact CZ-CE3 3.7Å; F626-W671 HydrophobicContact CZ-CE3 3.7Å; F626-W671 AromaticContact CZ-CH2 3.86Å; F626-W671 HydrophobicContact CZ-CH2 3.86Å; F626-W671 HydrophobicContact CZ-CZ2 4.45Å; F626-W671 AromaticContact CZ-CZ3 3.46Å; F626-W671 HydrophobicContact CZ-CZ3 3.46Å; F626-W671 VanDerWaalsContact CZ-CZ3 3.46Å; K639-W671 HydrophobicContact CD-CH2 4.02Å; K639-W671 HydrophobicContact CD-CZ2 4.21Å; K639-W671 HydrophobicContact CD-CZ3 4.45Å; K639-W671 WeakPolarHBondContact CE-O 3.35Å; K639-W671 HydrophobicContact CG-CH2 3.75Å; K639-W671 HydrophobicContact CG-CZ2 4.37Å; K639-W671 HydrophobicContact CG-CZ3 4.19Å; K639-W671 PolarHBondContact NZ-O 2.91Å; L642-W671 HydrophobicContact CD2-CH2 3.56Å; L642-W671 HydrophobicContact CD2-CZ3 3.83Å; L643-W671 HydrophobicContact CD2-CZ3 4.17Å; N667-W671 PolarHBondContact O-N 3.02Å; Y668-W671 PolarHBondContact O-N 3.18Å; W671-L673 PolarHBondContact O-N 3.43Å; W671-S674 PolarHBondContact O-N 3.4Å; W671-Y678 HydrophobicContact CB-CE1 4.47Å; W671-Y678 VanDerWaalsContact CB-OH 3.28Å; W671-Y678 WeakPolarHBondContact CB-OH 3.45Å; W671-Y678 PolarHBondContact N-OH 3.37Å; W671-L727 PolarHBondContact NE1-O 2.87Å; W671-F731 HydrophobicContact CH2-CD1 4.45Å; W671-F731 HydrophobicContact CZ2-CB 4.38Å
672	K	94.4	Very high	93.8	Very high	64 Å²	64	58.8 Å²	58.8	28%	0.278	30%	0.303	S	S	.	.	H	α-helix	trans	-57.4	-35.3	178.5	175.6	163.5	-175.9	174.3	0	112.2	L643 W646 E647 Y668 H670	L643-K672 HydrophobicContact CD1-CG 4.36Å; L643-K672 HydrophobicContact CD2-CB 4.22Å; L643-K672 HydrophobicContact CD2-CD 4.06Å; L643-K672 HydrophobicContact CD2-CG 3.69Å; W646-K672 HydrophobicContact CE3-CD 4.45Å; W646-K672 HydrophobicContact CH2-CB 4.26Å; W646-K672 HydrophobicContact CH2-CD 4.46Å; W646-K672 HydrophobicContact CZ3-CB 3.95Å; W646-K672 HydrophobicContact CZ3-CD 4.22Å; W646-K672 HydrophobicContact CZ3-CG 4.45Å; E647-K672 IonicContact OE1-NZ 3.76Å; E647-K672 PolarHBondContact OE1-NZ 2.97Å; Y668-K672 WeakPolarHBondContact O-CB 3.41Å; Y668-K672 PolarHBondContact O-N 3.17Å; H670-K672 PolarHBondContact O-N 3.41Å
673	L	94.3	Very high	93.8	Very high	143 Å²	143	60.6 Å²	60.6	75%	0.749	32%	0.315	S	S	*	.	H	α-helix	trans	-100.3	-16.5	-174	-59	175.8	0	0	0	113.6	H670 W671	H670-L673 PolarHBondContact O-N 3.41Å; W671-L673 PolarHBondContact O-N 3.43Å
674	S	93.8	Very high	93.5	Very high	16 Å²	16	62 Å²	62	11%	0.112	33%	0.328	C	S	.	.			trans	-89.6	135.4	-172.8	-65.3	0	0	0	0	113.1	K639 H670 W671	K639-S674 PolarHBondContact NZ-O 3.38Å; H670-S674 PolarHBondContact CD2-OG 3.45Å; H670-S674 VanDerWaalsContact CD2-OG 3.31Å; H670-S674 PolarHBondContact CE1-OG 2.88Å; H670-S674 VanDerWaalsContact CE1-OG 3.23Å; H670-S674 PolarHBondContact ND1-OG 2.96Å; H670-S674 PolarHBondContact NE2-OG 3Å; H670-S674 VanDerWaalsContact NE2-OG 3.1Å; H670-S674 WeakPolarHBondContact O-CB 3.5Å; H670-S674 PolarHBondContact O-N 3.5Å; H670-S674 PolarHBondContact O-OG 2.9Å; W671-S674 PolarHBondContact O-N 3.4Å
675	N	92	Very high	93.3	Very high	130 Å²	130	57.9 Å²	57.9	70%	0.695	31%	0.308	S	S	*	.	S	Bend	trans	-102.2	-7.3	170.6	-66.4	-27.1	0	0	0	113	T728	N675-T728 PolarHBondContact O-OG1 3Å
676	N	94.3	Very high	93.3	Very high	132 Å²	132	57 Å²	57	71%	0.706	30%	0.302	S	S	*	.	S	Bend	trans	-116.2	139.7	179.7	-62.1	-38.5	0	0	0	109.5	T728	N676-T728 WeakPolarHBondContact O-CG2 3.48Å
677	D	95.6	Very high	93.2	Very high	34 Å²	34	57.6 Å²	57.6	18%	0.182	31%	0.305	C	S	.	.			trans	-60.5	145.3	173.9	-62.6	-9.6	0	0	0	110.4	Y609 I725 V726 L727 T728	Y609-D677 HydrophobicContact CE2-CB 4.45Å; Y609-D677 VanDerWaalsContact OH-CB 3.28Å; Y609-D677 WeakPolarHBondContact OH-CB 3.33Å; D677-I725 HydrophobicContact CB-CG2 4.03Å; D677-V726 VanDerWaalsContact CA-O 3.31Å; D677-V726 WeakPolarHBondContact CA-O 3.16Å; D677-V726 WeakPolarHBondContact CB-O 3.44Å; D677-L727 WeakPolarHBondContact OD1-CA 3.34Å; D677-L727 WeakPolarHBondContact OD2-CD2 3.32Å; D677-T728 PolarHBondContact OD1-N 3.11Å; D677-T728 PolarHBondContact OD1-OG1 3.32Å
678	Y	96.9	Very high	93.2	Very high	25 Å²	25	54.1 Å²	54.1	10%	0.098	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	149.5	-171.5	60	-89.1	0	0	0	113	T666 N667 H670 W671 V680 I725 V726 T728	T666-Y678 PolarHBondContact O-OH 2.91Å; N667-Y678 HydrophobicContact CB-CE2 4.48Å; N667-Y678 PolarHBondContact O-OH 3.32Å; H670-Y678 AromaticContact CE1-CD1 3.62Å; H670-Y678 AromaticContact CE1-CD2 3.87Å; H670-Y678 AromaticContact CE1-CG 3.5Å; H670-Y678 AromaticContact ND1-CD1 3.45Å; H670-Y678 WeakPolarHBondContact ND1-CD1 3.28Å; H670-Y678 AromaticContact ND1-CD2 3.44Å; H670-Y678 WeakPolarHBondContact ND1-CD2 3.06Å; H670-Y678 AromaticContact ND1-CE1 3.47Å; H670-Y678 WeakPolarHBondContact ND1-CE1 3.48Å; H670-Y678 AromaticContact ND1-CE2 3.47Å; H670-Y678 WeakPolarHBondContact ND1-CE2 3.32Å; H670-Y678 AromaticContact ND1-CG 3.44Å; H670-Y678 AromaticContact ND1-CZ 3.5Å; W671-Y678 HydrophobicContact CB-CE1 4.47Å; W671-Y678 VanDerWaalsContact CB-OH 3.28Å; W671-Y678 WeakPolarHBondContact CB-OH 3.45Å; W671-Y678 PolarHBondContact N-OH 3.37Å; Y678-V680 HydrophobicContact CD2-CG1 3.74Å; Y678-V680 HydrophobicContact CE2-CG1 3.5Å; Y678-V680 VanDerWaalsContact CE2-CG1 3.5Å; Y678-I725 CarbonylContact O-C 3.53Å; Y678-I725 WeakPolarHBondContact O-CA 3.35Å; Y678-V726 HydrophobicContact CD1-CB 4.45Å; Y678-V726 HydrophobicContact CD2-CB 4.23Å; Y678-V726 HydrophobicContact CD2-CG2 4.44Å; Y678-V726 HydrophobicContact CE1-CB 4.03Å; Y678-V726 HydrophobicContact CE1-CG1 4.05Å; Y678-V726 HydrophobicContact CE2-CB 3.79Å; Y678-V726 HydrophobicContact CE2-CG1 4.3Å; Y678-V726 HydrophobicContact CE2-CG2 3.87Å; Y678-V726 PolarHBondContact N-O 2.86Å; Y678-V726 PolarHBondContact O-N 3.26Å; Y678-T728 HydrophobicContact CD1-CG2 4.04Å; Y678-T728 HydrophobicContact CE1-CG2 3.94Å
679	E	96	Very high	93.3	Very high	90 Å²	90	53.2 Å²	53.2	42%	0.421	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	138	177.3	-169.4	174.5	150.8	0	0	111.1	K723 F724 I725	E679-K723 IonicContact OE2-NZ 2.77Å; E679-F724 CarbonylContact C-O 3.55Å; E679-F724 WeakPolarHBondContact CA-O 3.47Å; E679-I725 HydrophobicContact CB-CD1 3.72Å; E679-I725 HydrophobicContact CG-CD1 3.97Å
680	V	96.2	Very high	93.5	Very high	12 Å²	12	49 Å²	49	7%	0.073	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	149.6	171.1	-62.5	0	0	0	0	110.5	S665 Y678 Y686 F724 V726	S665-V680 VanDerWaalsContact O-CB 3.32Å; S665-V680 WeakPolarHBondContact O-CB 3.44Å; S665-V680 VanDerWaalsContact O-CG1 3.27Å; S665-V680 WeakPolarHBondContact O-CG1 3.26Å; Y678-V680 HydrophobicContact CD2-CG1 3.74Å; Y678-V680 HydrophobicContact CE2-CG1 3.5Å; Y678-V680 VanDerWaalsContact CE2-CG1 3.5Å; V680-Y686 HydrophobicContact CG2-CE1 4.39Å; V680-F724 HydrophobicContact CG2-CB 3.79Å; V680-F724 PolarHBondContact N-O 2.79Å; V680-V726 HydrophobicContact CB-CG2 4.34Å; V680-V726 HydrophobicContact CG1-CG2 3.6Å; V680-V726 HydrophobicContact CG2-CG2 3.77Å
681	Q	92.6	Very high	93.5	Very high	142 Å²	142	45.3 Å²	45.3	66%	0.664	24%	0.236	S	C	*	.			trans	-83.6	140.1	173.8	-64	-59.5	-49.8	0	0	110.1
682	W	91.4	Very high	93.4	Very high	35 Å²	35	45.3 Å²	45.3	13%	0.133	24%	0.236	C	C	.	.			trans	-59.1	142.1	170.2	176.4	87.8	0	0	0	110.3	M715 D718 F724 Y778	W682-M715 HydrophobicContact CH2-CE 4.08Å; W682-M715 HydrophobicContact CZ2-CB 4.29Å; W682-M715 HydrophobicContact CZ2-CE 3.79Å; W682-M715 HydrophobicContact CZ2-CG 4.24Å; W682-D718 HydrophobicContact CB-CB 4.01Å; W682-D718 WeakPolarHBondContact CB-OD1 3.31Å; W682-D718 HydrophobicContact CD2-CB 4.31Å; W682-D718 HydrophobicContact CG-CB 3.76Å; W682-F724 HydrophobicContact CB-CD2 4.36Å; W682-F724 HydrophobicContact CB-CE2 3.94Å; W682-Y778 HydrophobicContact CD2-CE1 4.4Å; W682-Y778 HydrophobicContact CE3-CD1 4.49Å; W682-Y778 HydrophobicContact CE3-CE1 4.04Å; W682-Y778 AromaticContact CH2-CD1 3.44Å; W682-Y778 HydrophobicContact CH2-CD1 3.44Å; W682-Y778 VanDerWaalsContact CH2-CD1 3.44Å; W682-Y778 AromaticContact CH2-CE1 3.7Å; W682-Y778 HydrophobicContact CH2-CE1 3.7Å; W682-Y778 HydrophobicContact CZ2-CD1 4.07Å; W682-Y778 HydrophobicContact CZ2-CE1 4.05Å; W682-Y778 AromaticContact CZ3-CD1 3.68Å; W682-Y778 HydrophobicContact CZ3-CD1 3.68Å; W682-Y778 AromaticContact CZ3-CE1 3.68Å; W682-Y778 HydrophobicContact CZ3-CE1 3.68Å
683	S	88.9	Confident	93.4	Very high	37 Å²	37	42.6 Å²	42.6	26%	0.259	23%	0.225	S	C	.	.			trans	-134.2	165.8	168.2	84.4	0	0	0	0	111.4	S665 D685 Y686	S665-S683 VanDerWaalsContact OG-CB 3.23Å; S665-S683 WeakPolarHBondContact OG-CB 3.49Å; S665-S683 PolarHBondContact OG-OG 2.92Å; S683-D685 PolarHBondContact O-N 3.48Å; S683-Y686 WeakPolarHBondContact O-CB 3.17Å; S683-Y686 PolarHBondContact O-N 2.95Å; S683-Y686 VanDerWaalsContact O-N 3.13Å
684	A	84.1	Confident	93.3	Very high	35 Å²	35	39 Å²	39	29%	0.289	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-44.1	132.2	171.3	0	0	0	0	0	112.9	Y686 F781	A684-Y686 PolarHBondContact O-N 3.41Å; A684-Y686 VanDerWaalsContact O-N 3.14Å; A684-F781 HydrophobicContact CB-CD2 3.18Å; A684-F781 HydrophobicContact CB-CE2 3.4Å; A684-F781 VanDerWaalsContact CB-CE2 3.4Å; A684-F781 HydrophobicContact CB-CG 4.22Å
685	D	86.7	Confident	93.1	Very high	35 Å²	35	44.8 Å²	44.8	19%	0.187	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	5.5	-179.3	-67.4	-38.4	0	0	0	116.6	W659 A661 G662 S683 E687 F781	W659-D685 HydrophobicContact CZ2-CB 3.81Å; A661-D685 HydrophobicContact CB-CB 4.25Å; G662-D685 WeakPolarHBondContact CA-O 3.34Å; S683-D685 PolarHBondContact O-N 3.48Å; D685-E687 PolarHBondContact O-N 2.82Å; D685-F781 VanDerWaalsContact OD1-CZ 3.26Å; D685-F781 WeakPolarHBondContact OD1-CZ 3.47Å; D685-F781 WeakPolarHBondContact OD2-CZ 3.46Å
686	Y	92.4	Very high	93.1	Very high	1 Å²	1	39.5 Å²	39.5	0%	0.004	20%	0.199	C	C	.	.			trans	-60.4	122.6	-179.7	-172.3	-140.8	0	0	0	112.3	G662 T666 V680 S683 A684 P688 I714 F724	G662-Y686 WeakPolarHBondContact O-CD2 3.42Å; T666-Y686 WeakPolarHBondContact OG1-CE2 3.44Å; T666-Y686 PolarHBondContact OG1-OH 3.02Å; V680-Y686 HydrophobicContact CG2-CE1 4.39Å; S683-Y686 WeakPolarHBondContact O-CB 3.17Å; S683-Y686 PolarHBondContact O-N 2.95Å; S683-Y686 VanDerWaalsContact O-N 3.13Å; A684-Y686 PolarHBondContact O-N 3.41Å; A684-Y686 VanDerWaalsContact O-N 3.14Å; Y686-P688 VanDerWaalsContact C-CD 3.45Å; Y686-P688 HydrophobicContact CD1-CG 3.97Å; Y686-P688 HydrophobicContact CD2-CG 4.37Å; Y686-P688 HydrophobicContact CE1-CB 4.19Å; Y686-P688 HydrophobicContact CE1-CG 3.56Å; Y686-P688 HydrophobicContact CE2-CB 3.91Å; Y686-P688 HydrophobicContact CE2-CG 3.98Å; Y686-P688 HydrophobicContact CG-CG 4.36Å; Y686-I714 HydrophobicContact CD1-CG2 4.25Å; Y686-I714 WeakPolarHBondContact O-CB 3.3Å; Y686-I714 WeakPolarHBondContact O-CG2 3.4Å; Y686-F724 HydrophobicContact CE1-CD1 4.45Å
687	E	92.6	Very high	93.1	Very high	14 Å²	14	35.6 Å²	35.6	7%	0.065	18%	0.18	C	C	.	.			trans	-130.4	53.1	-172.6	-83.4	-161.2	179.2	0	0	113.1	W659 G662 H663 D685 K710 A711	W659-E687 HydrophobicContact CH2-CB 4.35Å; W659-E687 HydrophobicContact CH2-CG 3.92Å; W659-E687 WeakPolarHBondContact CH2-OE2 3.21Å; W659-E687 HydrophobicContact CZ3-CB 4.41Å; W659-E687 HydrophobicContact CZ3-CG 4.41Å; W659-E687 WeakPolarHBondContact CZ3-OE2 3.16Å; G662-E687 PolarHBondContact O-N 3.22Å; H663-E687 PolarHBondContact CE1-O 2.65Å; D685-E687 PolarHBondContact O-N 2.82Å; E687-K710 HydrophobicContact CB-CD 4Å; E687-K710 HydrophobicContact CB-CG 4.43Å; E687-K710 HydrophobicContact CG-CB 3.98Å; E687-K710 HydrophobicContact CG-CD 4.33Å; E687-K710 HydrophobicContact CG-CG 4.27Å; E687-A711 HydrophobicContact CG-CB 3.8Å; E687-A711 VanDerWaalsContact OE1-CB 3.24Å; E687-A711 WeakPolarHBondContact OE1-CB 3.37Å; E687-A711 PolarHBondContact OE1-N 3.05Å
688	P	95.3	Very high	93.1	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.019	19%	0.189	C	C	.	.			trans	-66.4	164.5	179.9	30.7	-38.1	0	0	0	113.2	V622 Y686 V690 I714	V622-P688 HydrophobicContact CB-CB 4.49Å; V622-P688 HydrophobicContact CG1-CB 3.69Å; V622-P688 HydrophobicContact CG2-CB 4.12Å; V622-P688 HydrophobicContact CG2-CG 4.29Å; Y686-P688 VanDerWaalsContact C-CD 3.45Å; Y686-P688 HydrophobicContact CD1-CG 3.97Å; Y686-P688 HydrophobicContact CD2-CG 4.37Å; Y686-P688 HydrophobicContact CE1-CB 4.19Å; Y686-P688 HydrophobicContact CE1-CG 3.56Å; Y686-P688 HydrophobicContact CE2-CB 3.91Å; Y686-P688 HydrophobicContact CE2-CG 3.98Å; Y686-P688 HydrophobicContact CG-CG 4.36Å; P688-V690 HydrophobicContact CB-CG1 3.99Å; P688-V690 HydrophobicContact CG-CG1 3.75Å; P688-I714 HydrophobicContact CG-CD1 3.89Å; P688-I714 HydrophobicContact CG-CG1 4.32Å; P688-I714 HydrophobicContact CG-CG2 4.35Å
689	Y	96.7	Very high	93.1	Very high	1 Å²	1	36.6 Å²	36.6	0%	0.004	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	132	164.4	-64.9	-79.7	0	0	0	109.3	H587 I588 D589 F592 V623 A625 F654 K710 L732	H587-Y689 WeakPolarHBondContact O-CD1 3.46Å; I588-Y689 HydrophobicContact CB-CD1 4.28Å; I588-Y689 HydrophobicContact CG2-CD1 4.27Å; D589-Y689 HydrophobicContact CB-CE1 4.33Å; D589-Y689 WeakPolarHBondContact OD2-CE1 3.44Å; D589-Y689 PolarHBondContact OD2-OH 3.03Å; F592-Y689 HydrophobicContact CD1-CE2 4.36Å; F592-Y689 HydrophobicContact CD2-CE1 4.18Å; F592-Y689 HydrophobicContact CD2-CE2 4.31Å; F592-Y689 AromaticContact CD2-CZ 3.76Å; F592-Y689 HydrophobicContact CE1-CD2 4.38Å; F592-Y689 AromaticContact CE1-CE2 3.7Å; F592-Y689 HydrophobicContact CE1-CE2 3.7Å; F592-Y689 HydrophobicContact CE2-CE1 4.06Å; F592-Y689 AromaticContact CE2-CE2 3.69Å; F592-Y689 HydrophobicContact CE2-CE2 3.69Å; F592-Y689 AromaticContact CE2-CZ 3.22Å; F592-Y689 WeakPolarHBondContact CE2-OH 3.22Å; F592-Y689 HydrophobicContact CZ-CD2 4.37Å; F592-Y689 AromaticContact CZ-CE2 3.31Å; F592-Y689 HydrophobicContact CZ-CE2 3.31Å; F592-Y689 AromaticContact CZ-CZ 3.4Å; F592-Y689 VanDerWaalsContact CZ-CZ 3.4Å; F592-Y689 WeakPolarHBondContact CZ-OH 3.31Å; V623-Y689 PolarHBondContact N-O 3.1Å; A625-Y689 HydrophobicContact CB-CD2 3.68Å; A625-Y689 HydrophobicContact CB-CE2 3.87Å; F654-Y689 HydrophobicContact CD1-CE2 4.38Å; F654-Y689 HydrophobicContact CE1-CE2 4.33Å; Y689-K710 PolarHBondContact OH-NZ 3.39Å; Y689-L732 HydrophobicContact CD1-CD1 4.28Å; Y689-L732 HydrophobicContact CD2-CD1 3.99Å; Y689-L732 HydrophobicContact CG-CD1 3.67Å
690	V	96.7	Very high	93.1	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.012	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	148.4	-161.8	-59.3	0	0	0	0	113.3	H587 C620 L621 V622 P688 V692 Y713 I714	H587-V690 PolarHBondContact N-O 3.41Å; H587-V690 VanDerWaalsContact N-O 3.16Å; C620-V690 WeakPolarHBondContact SG-CB 3.33Å; C620-V690 WeakPolarHBondContact SG-CG1 3.41Å; L621-V690 CarbonylContact O-C 3.51Å; L621-V690 VanDerWaalsContact O-CA 3.26Å; L621-V690 WeakPolarHBondContact O-CA 3.41Å; V622-V690 HydrophobicContact CG2-CG1 4.17Å; P688-V690 HydrophobicContact CB-CG1 3.99Å; P688-V690 HydrophobicContact CG-CG1 3.75Å; V690-V692 HydrophobicContact CB-CG1 4.36Å; V690-V692 HydrophobicContact CG2-CG1 4.09Å; V690-Y713 HydrophobicContact CG2-CE1 4.36Å; V690-I714 HydrophobicContact CG1-CD1 4.08Å; V690-I714 HydrophobicContact CG2-CD1 4.33Å
691	I	96.4	Very high	93	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	123.5	167.4	-55.2	153.1	0	0	0	108	V500 F584 I585 F586 I602 I606 L621 V623 L727	V500-I691 HydrophobicContact CG2-CG2 4.26Å; F584-I691 HydrophobicContact CB-CG2 4.27Å; I585-I691 VanDerWaalsContact O-CA 3.22Å; I585-I691 WeakPolarHBondContact O-CA 3.37Å; F586-I691 HydrophobicContact CB-CG1 3.91Å; F586-I691 HydrophobicContact CD2-CD1 4.37Å; F586-I691 HydrophobicContact CD2-CG1 3.53Å; F586-I691 HydrophobicContact CE2-CG1 4.23Å; F586-I691 HydrophobicContact CG-CG1 3.85Å; I602-I691 HydrophobicContact CB-CD1 4.34Å; I602-I691 HydrophobicContact CD1-CD1 3.89Å; I602-I691 HydrophobicContact CG1-CD1 3.77Å; I602-I691 HydrophobicContact CG2-CD1 3.7Å; I606-I691 HydrophobicContact CD1-CG2 4.24Å; I606-I691 HydrophobicContact CG1-CG2 4.43Å; L621-I691 HydrophobicContact CB-CB 4.17Å; L621-I691 HydrophobicContact CB-CD1 4.46Å; L621-I691 PolarHBondContact N-O 3.49Å; L621-I691 PolarHBondContact O-N 2.99Å; V623-I691 HydrophobicContact CG2-CD1 3.85Å; V623-I691 HydrophobicContact CG2-CG1 4.33Å; I691-L727 HydrophobicContact CD1-CD1 4.17Å
692	V	95	Very high	93	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	165.5	-175.5	-66.8	0	0	0	0	110.7	F584 I585 C620 V690 T696 L717	F584-V692 CarbonylContact C-O 3.48Å; F584-V692 VanDerWaalsContact CA-O 3.31Å; F584-V692 WeakPolarHBondContact CA-O 3.35Å; I585-V692 HydrophobicContact CD1-CG2 3.9Å; I585-V692 HydrophobicContact CG1-CG2 3.68Å; I585-V692 PolarHBondContact N-O 3.4Å; I585-V692 PolarHBondContact O-N 3.16Å; I585-V692 VanDerWaalsContact O-N 3.11Å; C620-V692 HydrophobicContact CB-CG1 4.07Å; C620-V692 VanDerWaalsContact SG-CG1 3.58Å; V690-V692 HydrophobicContact CB-CG1 4.36Å; V690-V692 HydrophobicContact CG2-CG1 4.09Å; V692-T696 HydrophobicContact CB-CG2 4.33Å; V692-T696 HydrophobicContact CG2-CG2 3.92Å; V692-L717 HydrophobicContact CG1-CD1 4.21Å
693	S	93	Very high	93.2	Very high	8 Å²	8	29.2 Å²	29.2	6%	0.056	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	135.7	168.7	177	0	0	0	0	110.4	H695 T696	S693-H695 PolarHBondContact O-N 3.02Å; S693-H695 VanDerWaalsContact O-N 3.15Å; S693-H695 PolarHBondContact OG-N 2.83Å; S693-T696 WeakPolarHBondContact O-CB 3.47Å; S693-T696 WeakPolarHBondContact O-CG2 3.35Å; S693-T696 PolarHBondContact O-N 2.7Å; S693-T696 VanDerWaalsContact O-N 3.14Å
694	R	92.7	Very high	93.4	Very high	68 Å²	68	27.8 Å²	27.8	26%	0.257	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-22.1	173.6	-171.8	174.4	61.5	108.7	8.7	113	I577 S580 T582 K583 I585 T696	I577-R694 HydrophobicContact CG2-CG 4.09Å; S580-R694 WeakPolarHBondContact O-CD 3.34Å; S580-R694 PolarHBondContact O-NH1 3.48Å; S580-R694 WeakPolarHBondContact OG-CD 3.3Å; T582-R694 VanDerWaalsContact O-CD 3.27Å; T582-R694 WeakPolarHBondContact O-CD 3.3Å; T582-R694 PolarHBondContact O-NE 3.42Å; K583-R694 WeakPolarHBondContact O-CB 3.43Å; K583-R694 PolarHBondContact O-N 3.39Å; I585-R694 HydrophobicContact CG2-CB 3.96Å; I585-R694 HydrophobicContact CG2-CG 3.97Å; R694-T696 VanDerWaalsContact C-N 3.33Å
695	H	90.7	Very high	93.8	Very high	136 Å²	136	26.2 Å²	26.2	63%	0.63	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.1	8.1	-179.4	-59.8	-65	0	0	0	113.7	S693	S693-H695 PolarHBondContact O-N 3.02Å; S693-H695 VanDerWaalsContact O-N 3.15Å; S693-H695 PolarHBondContact OG-N 2.83Å
696	T	91.9	Very high	94	Very high	20 Å²	20	27.2 Å²	27.2	12%	0.123	13%	0.133	C	C	.	.	S	Bend	trans	-70.8	-172.6	172.9	-163	0	0	0	0	111.9	V692 S693 R694 Y713 L717 Y722	V692-T696 HydrophobicContact CB-CG2 4.33Å; V692-T696 HydrophobicContact CG2-CG2 3.92Å; S693-T696 WeakPolarHBondContact O-CB 3.47Å; S693-T696 WeakPolarHBondContact O-CG2 3.35Å; S693-T696 PolarHBondContact O-N 2.7Å; S693-T696 VanDerWaalsContact O-N 3.14Å; R694-T696 VanDerWaalsContact C-N 3.33Å; T696-Y713 WeakPolarHBondContact CG2-OH 3.23Å; T696-L717 HydrophobicContact CG2-CD2 4.23Å; T696-L717 VanDerWaalsContact OG1-CD2 3.31Å; T696-L717 WeakPolarHBondContact OG1-CD2 3.47Å; T696-Y722 WeakPolarHBondContact CB-OH 3.38Å; T696-Y722 VanDerWaalsContact OG1-CZ 3.25Å; T696-Y722 PolarHBondContact OG1-OH 2.99Å
697	T	93.9	Very high	93.8	Very high	49 Å²	49	27.8 Å²	27.8	30%	0.301	14%	0.138	S	C	.	.	P	Polyproline II helix	trans	-60.6	158.3	173.7	-164.1	0	0	0	0	112.3	Y713 A716 L717 L720	T697-Y713 HydrophobicContact CG2-CD2 4.29Å; T697-Y713 HydrophobicContact CG2-CE2 3.97Å; T697-Y713 WeakPolarHBondContact O-CE2 3.27Å; T697-A716 HydrophobicContact CG2-CB 4.07Å; T697-L717 HydrophobicContact CG2-CD2 3.97Å; T697-L720 HydrophobicContact CG2-CD1 3.97Å
698	M	96	Very high	93.8	Very high	78 Å²	78	27.7 Å²	27.7	38%	0.384	14%	0.138	S	C	.	.	P	Polyproline II helix	trans	-96.4	163.5	175.5	-69.3	-64	-122.5	0	0	110.7	N574 I577 K578	N574-M698 HydrophobicContact CB-CE 4.09Å; I577-M698 HydrophobicContact CB-CE 4.34Å; I577-M698 HydrophobicContact CB-SD 4.22Å; I577-M698 HydrophobicContact CD1-SD 4.33Å; I577-M698 HydrophobicContact CG2-CE 4.13Å; I577-M698 HydrophobicContact CG2-SD 3.79Å; K578-M698 HydrophobicContact CB-CE 4.36Å
699	F	96.9	Very high	93.7	Very high	3 Å²	3	28.1 Å²	28.1	1%	0.013	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-66.6	140.2	171	-71.9	-102.1	0	0	0	109.9	N570 R573 N574 I577 H587 E701 Y713	N570-F699 HydrophobicContact CB-CB 3.77Å; N570-F699 WeakPolarHBondContact OD1-CD1 3.26Å; R573-F699 HydrophobicContact CB-CD2 3.79Å; R573-F699 HydrophobicContact CB-CE2 4.08Å; R573-F699 HydrophobicContact CB-CG 4.1Å; N574-F699 PolarHBondContact ND2-O 3.48Å; N574-F699 WeakPolarHBondContact OD1-CB 3.4Å; N574-F699 PolarHBondContact OD1-N 2.91Å; I577-F699 HydrophobicContact CD1-CD2 3.9Å; I577-F699 HydrophobicContact CD1-CE2 3.79Å; H587-F699 AromaticContact CD2-CZ 3.9Å; H587-F699 AromaticContact CE1-CZ 3.84Å; H587-F699 AromaticContact ND1-CZ 3.96Å; H587-F699 AromaticContact NE2-CZ 3.79Å; F699-E701 PolarHBondContact O-N 3.25Å; F699-Y713 HydrophobicContact CB-CD2 4.48Å; F699-Y713 VanDerWaalsContact CD1-CB 3.48Å; F699-Y713 HydrophobicContact CD1-CD1 4.33Å; F699-Y713 AromaticContact CD1-CD2 3.99Å; F699-Y713 HydrophobicContact CD1-CD2 3.99Å; F699-Y713 AromaticContact CD1-CG 3.68Å; F699-Y713 HydrophobicContact CD1-CG 3.68Å; F699-Y713 AromaticContact CD2-CD2 3.82Å; F699-Y713 HydrophobicContact CD2-CD2 3.82Å; F699-Y713 AromaticContact CD2-CE2 3.95Å; F699-Y713 HydrophobicContact CD2-CE2 3.95Å; F699-Y713 HydrophobicContact CD2-CG 4.18Å; F699-Y713 VanDerWaalsContact CE1-CB 3.48Å; F699-Y713 AromaticContact CE1-CD1 3.64Å; F699-Y713 HydrophobicContact CE1-CD1 3.64Å; F699-Y713 HydrophobicContact CE1-CD2 4.1Å; F699-Y713 HydrophobicContact CE1-CE1 4.39Å; F699-Y713 AromaticContact CE1-CG 3.46Å; F699-Y713 HydrophobicContact CE1-CG 3.46Å; F699-Y713 VanDerWaalsContact CE1-CG 3.46Å; F699-Y713 AromaticContact CE2-CD1 4Å; F699-Y713 HydrophobicContact CE2-CD1 4Å; F699-Y713 AromaticContact CE2-CD2 3.92Å; F699-Y713 HydrophobicContact CE2-CD2 3.92Å; F699-Y713 AromaticContact CE2-CE1 3.96Å; F699-Y713 HydrophobicContact CE2-CE1 3.96Å; F699-Y713 AromaticContact CE2-CE2 3.87Å; F699-Y713 HydrophobicContact CE2-CE2 3.87Å; F699-Y713 AromaticContact CE2-CG 3.97Å; F699-Y713 HydrophobicContact CE2-CG 3.97Å; F699-Y713 AromaticContact CE2-CZ 3.89Å; F699-Y713 AromaticContact CG-CD2 3.84Å; F699-Y713 HydrophobicContact CG-CD2 3.84Å; F699-Y713 HydrophobicContact CG-CE2 4.44Å; F699-Y713 HydrophobicContact CG-CG 4.03Å; F699-Y713 AromaticContact CZ-CD1 3.44Å; F699-Y713 HydrophobicContact CZ-CD1 3.44Å; F699-Y713 VanDerWaalsContact CZ-CD1 3.44Å; F699-Y713 HydrophobicContact CZ-CD2 4.06Å; F699-Y713 AromaticContact CZ-CE1 3.74Å; F699-Y713 HydrophobicContact CZ-CE1 3.74Å; F699-Y713 HydrophobicContact CZ-CE2 4.31Å; F699-Y713 AromaticContact CZ-CG 3.61Å; F699-Y713 HydrophobicContact CZ-CG 3.61Å
700	D	95.5	Very high	93.5	Very high	31 Å²	31	28.4 Å²	28.4	17%	0.166	14%	0.141	C	C	.	.			trans	-74.9	113.3	179.9	-163.4	-38.7	0	0	0	110.5	N570 I702 F703 F763 R766	N570-D700 WeakPolarHBondContact CB-O 3.48Å; N570-D700 PolarHBondContact ND2-O 2.94Å; D700-I702 PolarHBondContact O-N 3.15Å; D700-I702 VanDerWaalsContact O-N 3.15Å; D700-I702 WeakPolarHBondContact OD1-CG1 3.16Å; D700-I702 WeakPolarHBondContact OD1-CG2 3.38Å; D700-I702 PolarHBondContact OD1-N 3.07Å; D700-F703 HydrophobicContact CB-CD2 4.19Å; D700-F703 HydrophobicContact CB-CE2 4.45Å; D700-F703 PolarHBondContact O-N 3.08Å; D700-F763 HydrophobicContact CB-CD2 4.16Å; D700-F763 HydrophobicContact CB-CE2 3.82Å; D700-F763 VanDerWaalsContact OD2-CD2 3.25Å; D700-F763 WeakPolarHBondContact OD2-CD2 3.46Å; D700-F763 WeakPolarHBondContact OD2-CE2 3.22Å; D700-R766 IonicContact OD1-NH2 2.85Å; D700-R766 IonicContact OD2-CZ 3.2Å; D700-R766 VanDerWaalsContact OD2-CZ 3.3Å; D700-R766 IonicContact OD2-NH1 3.63Å; D700-R766 PolarHBondContact OD2-NH1 3.07Å; D700-R766 IonicContact OD2-NH2 3.65Å; D700-R766 PolarHBondContact OD2-NH2 3.24Å
701	E	94.5	Very high	93.3	Very high	67 Å²	67	28.5 Å²	28.5	31%	0.313	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-10.9	-172.4	-63.3	-180	168.7	0	0	113.6	K452 L467 I571 N574 F699 F703	K452-E701 IonicContact NZ-OE2 2.87Å; K452-E701 PolarHBondContact NZ-OE2 2.89Å; L467-E701 WeakPolarHBondContact CD2-O 3.5Å; I571-E701 HydrophobicContact CG1-CB 4.08Å; I571-E701 HydrophobicContact CG1-CG 3.92Å; N574-E701 VanDerWaalsContact ND2-CG 3.33Å; N574-E701 WeakPolarHBondContact ND2-CG 3.31Å; N574-E701 PolarHBondContact ND2-OE1 2.85Å; N574-E701 VanDerWaalsContact ND2-OE1 3.09Å; F699-E701 PolarHBondContact O-N 3.25Å; E701-F703 PolarHBondContact O-N 2.85Å
702	I	93	Very high	93.2	Very high	25 Å²	25	28.5 Å²	28.5	13%	0.128	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-24	175.8	74.5	175.5	0	0	0	112.9	I455 D700 I704 L759	I455-I702 HydrophobicContact CD1-CD1 4.28Å; I455-I702 HydrophobicContact CD1-CG2 4.32Å; D700-I702 PolarHBondContact O-N 3.15Å; D700-I702 VanDerWaalsContact O-N 3.15Å; D700-I702 WeakPolarHBondContact OD1-CG1 3.16Å; D700-I702 WeakPolarHBondContact OD1-CG2 3.38Å; D700-I702 PolarHBondContact OD1-N 3.07Å; I702-I704 PolarHBondContact O-N 3.49Å; I702-L759 HydrophobicContact CB-CD2 4.22Å; I702-L759 HydrophobicContact CD1-CB 4.41Å; I702-L759 HydrophobicContact CD1-CD2 3.8Å; I702-L759 HydrophobicContact CG1-CD2 4.17Å
703	F	93.7	Very high	93.3	Very high	1 Å²	1	28.7 Å²	28.7	0%	0.004	14%	0.143	C	C	.	.			trans	-85.6	90.8	178.2	-65.6	-74.9	0	0	0	109.9	D700 E701 W708 N709 L759 K760 F763	D700-F703 HydrophobicContact CB-CD2 4.19Å; D700-F703 HydrophobicContact CB-CE2 4.45Å; D700-F703 PolarHBondContact O-N 3.08Å; E701-F703 PolarHBondContact O-N 2.85Å; F703-W708 HydrophobicContact CD1-CB 4.29Å; F703-W708 HydrophobicContact CD1-CE3 4.37Å; F703-W708 HydrophobicContact CE1-CB 4.26Å; F703-W708 HydrophobicContact CE1-CD2 4.46Å; F703-W708 AromaticContact CE1-CE3 3.57Å; F703-W708 HydrophobicContact CE1-CE3 3.57Å; F703-W708 HydrophobicContact CE1-CZ3 4.25Å; F703-W708 AromaticContact CE2-CE3 3.74Å; F703-W708 HydrophobicContact CE2-CE3 3.74Å; F703-W708 AromaticContact CE2-CZ3 3.92Å; F703-W708 HydrophobicContact CE2-CZ3 3.92Å; F703-W708 HydrophobicContact CZ-CD2 4.44Å; F703-W708 AromaticContact CZ-CE3 3.22Å; F703-W708 HydrophobicContact CZ-CE3 3.22Å; F703-W708 AromaticContact CZ-CZ3 3.49Å; F703-W708 HydrophobicContact CZ-CZ3 3.49Å; F703-W708 VanDerWaalsContact CZ-CZ3 3.49Å; F703-N709 HydrophobicContact CB-CB 4.16Å; F703-L759 HydrophobicContact CD1-CB 4.36Å; F703-L759 HydrophobicContact CE1-CB 3.64Å; F703-L759 HydrophobicContact CZ-CB 4.1Å; F703-K760 HydrophobicContact CE1-CG 4.4Å; F703-F763 HydrophobicContact CE2-CB 4.04Å; F703-F763 AromaticContact CE2-CD2 3.9Å; F703-F763 HydrophobicContact CE2-CD2 3.9Å; F703-F763 HydrophobicContact CE2-CG 4.01Å; F703-F763 HydrophobicContact CZ-CB 3.91Å; F703-F763 HydrophobicContact CZ-CG 4.31Å
704	I	93	Very high	93.4	Very high	6 Å²	6	28.3 Å²	28.3	3%	0.031	14%	0.14	C	C	.	.			trans	-97.1	156.1	172.6	63.5	-180	0	0	0	111.5	F463 D466 L467 F566 I702 Y752	F463-I704 HydrophobicContact CB-CD1 4.29Å; F463-I704 HydrophobicContact CD1-CD1 3.62Å; F463-I704 HydrophobicContact CD1-CG1 3.45Å; F463-I704 VanDerWaalsContact CD1-CG1 3.45Å; F463-I704 HydrophobicContact CE1-CD1 4.21Å; F463-I704 HydrophobicContact CE1-CG1 3.66Å; F463-I704 HydrophobicContact CG-CD1 4.14Å; F463-I704 HydrophobicContact CG-CG1 4.43Å; D466-I704 HydrophobicContact CB-CD1 3.97Å; L467-I704 HydrophobicContact CD2-CD1 4.42Å; L467-I704 HydrophobicContact CD2-CG2 3.76Å; L467-I704 HydrophobicContact CG-CD1 4.32Å; F566-I704 HydrophobicContact CB-CB 4.22Å; F566-I704 HydrophobicContact CB-CD1 3.86Å; F566-I704 HydrophobicContact CB-CG1 4.07Å; F566-I704 HydrophobicContact CD2-CD1 3.73Å; F566-I704 HydrophobicContact CG-CD1 3.92Å; F566-I704 HydrophobicContact CG-CG1 4.28Å; I702-I704 PolarHBondContact O-N 3.49Å; I704-Y752 PolarHBondContact O-OH 3.02Å; I704-Y752 VanDerWaalsContact O-OH 3.14Å
705	G	92.6	Very high	93.4	Very high	3 Å²	3	25.2 Å²	25.2	3%	0.031	13%	0.129	C	C	.	.	S	Bend	trans	62.1	-141.7	-176.1	0	0	0	0	0	113.6	Y567 N709 E742 Y752	Y567-G705 WeakPolarHBondContact O-CA 3.44Å; Y567-G705 PolarHBondContact O-N 2.98Å; G705-N709 PolarHBondContact O-ND2 2.81Å; G705-E742 WeakPolarHBondContact CA-OE2 3.23Å; G705-Y752 WeakPolarHBondContact CA-OH 3.28Å
706	F	91.4	Very high	93.6	Very high	56 Å²	56	19.2 Å²	19.2	25%	0.246	10%	0.103	C	C	.	.	S	Bend	trans	-92.2	134.3	-179.5	-174.1	-95.3	0	0	0	113.3	E742 V743 Y746 Y752	F706-E742 HydrophobicContact CB-CB 3.87Å; F706-V743 HydrophobicContact CD1-CG2 4.44Å; F706-V743 HydrophobicContact CD2-CB 4.47Å; F706-V743 HydrophobicContact CD2-CG2 3.37Å; F706-V743 HydrophobicContact CE2-CG2 3.55Å; F706-V743 HydrophobicContact CG-CG2 3.86Å; F706-V743 HydrophobicContact CZ-CG2 4.16Å; F706-Y746 AromaticContact CD1-CD1 3.77Å; F706-Y746 HydrophobicContact CD1-CD1 3.77Å; F706-Y746 HydrophobicContact CD1-CD2 4.26Å; F706-Y746 HydrophobicContact CD1-CE1 4.4Å; F706-Y746 AromaticContact CD1-CG 3.7Å; F706-Y746 HydrophobicContact CD1-CG 3.7Å; F706-Y746 HydrophobicContact CE1-CD1 4.01Å; F706-Y746 HydrophobicContact CE1-CE1 4.35Å; F706-Y746 HydrophobicContact CE1-CG 4.41Å; F706-Y752 PolarHBondContact N-OH 3.14Å; F706-Y752 WeakPolarHBondContact O-CE1 3.45Å; F706-Y752 PolarHBondContact O-OH 3.47Å
707	G	89.7	Confident	93.7	Very high	12 Å²	12	18.3 Å²	18.3	12%	0.124	10%	0.097	C	C	.	.	S	Bend	trans	116.2	129.5	168.5	0	0	0	0	0	113.7	N709	G707-N709 PolarHBondContact O-N 3.49Å
708	W	91	Very high	93.6	Very high	13 Å²	13	16.8 Å²	16.8	5%	0.049	9%	0.087	C	C	.	.	S	Bend	trans	55.2	13.7	171.3	-135.8	70.4	0	0	0	116.8	F703 A711 S712 M715 I756 K760 F763 I764	F703-W708 HydrophobicContact CD1-CB 4.29Å; F703-W708 HydrophobicContact CD1-CE3 4.37Å; F703-W708 HydrophobicContact CE1-CB 4.26Å; F703-W708 HydrophobicContact CE1-CD2 4.46Å; F703-W708 AromaticContact CE1-CE3 3.57Å; F703-W708 HydrophobicContact CE1-CE3 3.57Å; F703-W708 HydrophobicContact CE1-CZ3 4.25Å; F703-W708 AromaticContact CE2-CE3 3.74Å; F703-W708 HydrophobicContact CE2-CE3 3.74Å; F703-W708 AromaticContact CE2-CZ3 3.92Å; F703-W708 HydrophobicContact CE2-CZ3 3.92Å; F703-W708 HydrophobicContact CZ-CD2 4.44Å; F703-W708 AromaticContact CZ-CE3 3.22Å; F703-W708 HydrophobicContact CZ-CE3 3.22Å; F703-W708 AromaticContact CZ-CZ3 3.49Å; F703-W708 HydrophobicContact CZ-CZ3 3.49Å; F703-W708 VanDerWaalsContact CZ-CZ3 3.49Å; W708-A711 HydrophobicContact CD2-CB 4.34Å; W708-A711 HydrophobicContact CG-CB 4.08Å; W708-S712 WeakPolarHBondContact O-CB 3.4Å; W708-S712 PolarHBondContact O-N 3.12Å; W708-S712 PolarHBondContact O-OG 3.14Å; W708-M715 HydrophobicContact CH2-CE 4.01Å; W708-M715 HydrophobicContact CH2-SD 3.94Å; W708-M715 HydrophobicContact CZ2-CE 3.64Å; W708-M715 HydrophobicContact CZ2-SD 4.2Å; W708-I756 HydrophobicContact CB-CG2 4.46Å; W708-K760 HydrophobicContact CB-CD 4.42Å; W708-K760 HydrophobicContact CB-CG 4.13Å; W708-K760 VanDerWaalsContact CD1-CE 3.42Å; W708-K760 HydrophobicContact CD2-CB 4.35Å; W708-K760 HydrophobicContact CD2-CD 4.04Å; W708-K760 HydrophobicContact CD2-CG 3.48Å; W708-K760 VanDerWaalsContact CD2-CG 3.48Å; W708-K760 HydrophobicContact CE3-CB 4.29Å; W708-K760 HydrophobicContact CE3-CG 3.7Å; W708-K760 HydrophobicContact CG-CD 3.89Å; W708-K760 VanDerWaalsContact CG-CE 3.46Å; W708-K760 HydrophobicContact CG-CG 3.7Å; W708-K760 HydrophobicContact CH2-CB 4.32Å; W708-K760 HydrophobicContact CH2-CG 4.44Å; W708-K760 HydrophobicContact CZ2-CB 4.4Å; W708-K760 HydrophobicContact CZ2-CG 4.29Å; W708-K760 HydrophobicContact CZ3-CB 4.26Å; W708-K760 HydrophobicContact CZ3-CG 4.17Å; W708-F763 HydrophobicContact CH2-CB 4.4Å; W708-F763 AromaticContact CH2-CD1 3.44Å; W708-F763 HydrophobicContact CH2-CD1 3.44Å; W708-F763 VanDerWaalsContact CH2-CD1 3.44Å; W708-F763 HydrophobicContact CH2-CE1 4.03Å; W708-F763 HydrophobicContact CH2-CG 4.24Å; W708-F763 HydrophobicContact CZ3-CB 3.81Å; W708-F763 AromaticContact CZ3-CD1 3.27Å; W708-F763 HydrophobicContact CZ3-CD1 3.27Å; W708-F763 AromaticContact CZ3-CE1 3.91Å; W708-F763 HydrophobicContact CZ3-CE1 3.91Å; W708-F763 AromaticContact CZ3-CG 3.68Å; W708-F763 HydrophobicContact CZ3-CG 3.68Å; W708-I764 HydrophobicContact CH2-CD1 4.22Å; W708-I764 HydrophobicContact CH2-CG1 3.89Å; W708-I764 HydrophobicContact CZ2-CD1 4.28Å; W708-I764 HydrophobicContact CZ2-CG1 4.4Å
709	N	93.1	Very high	93.4	Very high	12 Å²	12	13.2 Å²	13.2	6%	0.064	7%	0.07	C	C	.	.	H	α-helix	trans	-70.2	-36.1	179.1	56.1	59.5	0	0	0	112.8	I569 N570 R573 F703 G705 G707 S712	I569-N709 HydrophobicContact CG2-CB 3.7Å; N570-N709 PolarHBondContact ND2-O 3.21Å; N570-N709 PolarHBondContact OD1-O 2.87Å; R573-N709 PolarHBondContact NH1-OD1 2.84Å; R573-N709 PolarHBondContact NH2-OD1 3.2Å; F703-N709 HydrophobicContact CB-CB 4.16Å; G705-N709 PolarHBondContact O-ND2 2.81Å; G707-N709 PolarHBondContact O-N 3.49Å; N709-S712 PolarHBondContact O-OG 3.1Å; N709-S712 VanDerWaalsContact O-OG 3.1Å
710	K	93.3	Very high	93.1	Very high	7 Å²	7	16.1 Å²	16.1	3%	0.03	9%	0.085	C	C	.	.	H	α-helix	trans	-95.2	-37.8	178.7	-167.1	-171	-45.4	172.8	0	111.7	D589 E687 Y689 S712 Y713 I714	D589-K710 IonicContact OD2-NZ 2.62Å; D589-K710 PolarHBondContact OD2-NZ 2.84Å; E687-K710 HydrophobicContact CB-CD 4Å; E687-K710 HydrophobicContact CB-CG 4.43Å; E687-K710 HydrophobicContact CG-CB 3.98Å; E687-K710 HydrophobicContact CG-CD 4.33Å; E687-K710 HydrophobicContact CG-CG 4.27Å; Y689-K710 PolarHBondContact OH-NZ 3.39Å; K710-S712 VanDerWaalsContact C-N 3.28Å; K710-S712 PolarHBondContact O-N 3.22Å; K710-Y713 WeakPolarHBondContact O-CB 3.31Å; K710-Y713 PolarHBondContact O-N 3.11Å; K710-I714 HydrophobicContact CG-CG1 4.47Å; K710-I714 WeakPolarHBondContact O-CG1 3.13Å; K710-I714 PolarHBondContact O-N 3.26Å
711	A	93.1	Very high	92.9	Very high	4 Å²	4	16.7 Å²	16.7	3%	0.033	10%	0.098	C	C	.	.	H	α-helix	trans	-56.8	-41.7	175.5	0	0	0	0	0	112	E687 W708 Y713 I714 M715	E687-A711 HydrophobicContact CG-CB 3.8Å; E687-A711 VanDerWaalsContact OE1-CB 3.24Å; E687-A711 WeakPolarHBondContact OE1-CB 3.37Å; E687-A711 PolarHBondContact OE1-N 3.05Å; W708-A711 HydrophobicContact CD2-CB 4.34Å; W708-A711 HydrophobicContact CG-CB 4.08Å; A711-Y713 VanDerWaalsContact C-N 3.34Å; A711-Y713 PolarHBondContact O-N 3.13Å; A711-I714 PolarHBondContact O-N 3.15Å; A711-M715 VanDerWaalsContact O-CB 3.28Å; A711-M715 WeakPolarHBondContact O-CB 3.37Å; A711-M715 PolarHBondContact O-N 2.79Å
712	S	94	Very high	92.8	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-59.6	-42.3	174.2	50.2	0	0	0	0	112.6	W708 N709 K710 M715 A716 F763	W708-S712 WeakPolarHBondContact O-CB 3.4Å; W708-S712 PolarHBondContact O-N 3.12Å; W708-S712 PolarHBondContact O-OG 3.14Å; N709-S712 PolarHBondContact O-OG 3.1Å; N709-S712 VanDerWaalsContact O-OG 3.1Å; K710-S712 VanDerWaalsContact C-N 3.28Å; K710-S712 PolarHBondContact O-N 3.22Å; S712-M715 PolarHBondContact O-N 2.91Å; S712-A716 WeakPolarHBondContact O-CB 3.32Å; S712-A716 PolarHBondContact O-N 2.88Å; S712-F763 WeakPolarHBondContact O-CZ 3.47Å
713	Y	95.8	Very high	92.9	Very high	3 Å²	3	18.2 Å²	18.2	1%	0.012	10%	0.102	C	C	.	.	H	α-helix	trans	-63.7	-46.5	177.6	178.7	-108.7	0	0	0	112.4	V690 T696 T697 F699 K710 A711 A716 L717	V690-Y713 HydrophobicContact CG2-CE1 4.36Å; T696-Y713 WeakPolarHBondContact CG2-OH 3.23Å; T697-Y713 HydrophobicContact CG2-CD2 4.29Å; T697-Y713 HydrophobicContact CG2-CE2 3.97Å; T697-Y713 WeakPolarHBondContact O-CE2 3.27Å; F699-Y713 HydrophobicContact CB-CD2 4.48Å; F699-Y713 VanDerWaalsContact CD1-CB 3.48Å; F699-Y713 HydrophobicContact CD1-CD1 4.33Å; F699-Y713 AromaticContact CD1-CD2 3.99Å; F699-Y713 HydrophobicContact CD1-CD2 3.99Å; F699-Y713 AromaticContact CD1-CG 3.68Å; F699-Y713 HydrophobicContact CD1-CG 3.68Å; F699-Y713 AromaticContact CD2-CD2 3.82Å; F699-Y713 HydrophobicContact CD2-CD2 3.82Å; F699-Y713 AromaticContact CD2-CE2 3.95Å; F699-Y713 HydrophobicContact CD2-CE2 3.95Å; F699-Y713 HydrophobicContact CD2-CG 4.18Å; F699-Y713 VanDerWaalsContact CE1-CB 3.48Å; F699-Y713 AromaticContact CE1-CD1 3.64Å; F699-Y713 HydrophobicContact CE1-CD1 3.64Å; F699-Y713 HydrophobicContact CE1-CD2 4.1Å; F699-Y713 HydrophobicContact CE1-CE1 4.39Å; F699-Y713 AromaticContact CE1-CG 3.46Å; F699-Y713 HydrophobicContact CE1-CG 3.46Å; F699-Y713 VanDerWaalsContact CE1-CG 3.46Å; F699-Y713 AromaticContact CE2-CD1 4Å; F699-Y713 HydrophobicContact CE2-CD1 4Å; F699-Y713 AromaticContact CE2-CD2 3.92Å; F699-Y713 HydrophobicContact CE2-CD2 3.92Å; F699-Y713 AromaticContact CE2-CE1 3.96Å; F699-Y713 HydrophobicContact CE2-CE1 3.96Å; F699-Y713 AromaticContact CE2-CE2 3.87Å; F699-Y713 HydrophobicContact CE2-CE2 3.87Å; F699-Y713 AromaticContact CE2-CG 3.97Å; F699-Y713 HydrophobicContact CE2-CG 3.97Å; F699-Y713 AromaticContact CE2-CZ 3.89Å; F699-Y713 AromaticContact CG-CD2 3.84Å; F699-Y713 HydrophobicContact CG-CD2 3.84Å; F699-Y713 HydrophobicContact CG-CE2 4.44Å; F699-Y713 HydrophobicContact CG-CG 4.03Å; F699-Y713 AromaticContact CZ-CD1 3.44Å; F699-Y713 HydrophobicContact CZ-CD1 3.44Å; F699-Y713 VanDerWaalsContact CZ-CD1 3.44Å; F699-Y713 HydrophobicContact CZ-CD2 4.06Å; F699-Y713 AromaticContact CZ-CE1 3.74Å; F699-Y713 HydrophobicContact CZ-CE1 3.74Å; F699-Y713 HydrophobicContact CZ-CE2 4.31Å; F699-Y713 AromaticContact CZ-CG 3.61Å; F699-Y713 HydrophobicContact CZ-CG 3.61Å; K710-Y713 WeakPolarHBondContact O-CB 3.31Å; K710-Y713 PolarHBondContact O-N 3.11Å; A711-Y713 VanDerWaalsContact C-N 3.34Å; A711-Y713 PolarHBondContact O-N 3.13Å; Y713-A716 WeakPolarHBondContact O-CB 3.47Å; Y713-A716 PolarHBondContact O-N 3.45Å; Y713-L717 HydrophobicContact CD1-CD1 4.19Å; Y713-L717 HydrophobicContact CE1-CD1 3.67Å; Y713-L717 HydrophobicContact CE1-CG 4.32Å; Y713-L717 PolarHBondContact O-N 3.14Å
714	I	95.4	Very high	93	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.005	10%	0.103	C	C	.	.	H	α-helix	trans	-67.1	-38.8	179.6	-59.9	-64.9	0	0	0	111.1	Y686 P688 V690 K710 A711 A716 L717 D718 F724	Y686-I714 HydrophobicContact CD1-CG2 4.25Å; Y686-I714 WeakPolarHBondContact O-CB 3.3Å; Y686-I714 WeakPolarHBondContact O-CG2 3.4Å; P688-I714 HydrophobicContact CG-CD1 3.89Å; P688-I714 HydrophobicContact CG-CG1 4.32Å; P688-I714 HydrophobicContact CG-CG2 4.35Å; V690-I714 HydrophobicContact CG1-CD1 4.08Å; V690-I714 HydrophobicContact CG2-CD1 4.33Å; K710-I714 HydrophobicContact CG-CG1 4.47Å; K710-I714 WeakPolarHBondContact O-CG1 3.13Å; K710-I714 PolarHBondContact O-N 3.26Å; A711-I714 PolarHBondContact O-N 3.15Å; I714-A716 VanDerWaalsContact C-N 3.32Å; I714-A716 PolarHBondContact O-N 2.91Å; I714-L717 HydrophobicContact CD1-CD1 4.27Å; I714-L717 PolarHBondContact O-N 3.4Å; I714-D718 PolarHBondContact O-N 3Å; I714-F724 HydrophobicContact CG2-CE1 3.9Å; I714-F724 HydrophobicContact CG2-CZ 4.03Å
715	M	93.6	Very high	93.2	Very high	3 Å²	3	18.8 Å²	18.8	2%	0.015	11%	0.105	C	C	.	.	H	α-helix	trans	-60.5	-40	171.7	-177.4	-177.7	-71.7	0	0	111.8	W682 W708 A711 S712 D718 A719 F763 I764 L767 Y778	W682-M715 HydrophobicContact CH2-CE 4.08Å; W682-M715 HydrophobicContact CZ2-CB 4.29Å; W682-M715 HydrophobicContact CZ2-CE 3.79Å; W682-M715 HydrophobicContact CZ2-CG 4.24Å; W708-M715 HydrophobicContact CH2-CE 4.01Å; W708-M715 HydrophobicContact CH2-SD 3.94Å; W708-M715 HydrophobicContact CZ2-CE 3.64Å; W708-M715 HydrophobicContact CZ2-SD 4.2Å; A711-M715 VanDerWaalsContact O-CB 3.28Å; A711-M715 WeakPolarHBondContact O-CB 3.37Å; A711-M715 PolarHBondContact O-N 2.79Å; S712-M715 PolarHBondContact O-N 2.91Å; M715-D718 PolarHBondContact O-N 3.27Å; M715-A719 WeakPolarHBondContact O-CB 3.11Å; M715-A719 PolarHBondContact O-N 3.47Å; M715-F763 HydrophobicContact CB-CE1 4.43Å; M715-F763 HydrophobicContact CG-CE1 4.41Å; M715-F763 HydrophobicContact SD-CD1 4.22Å; M715-F763 HydrophobicContact SD-CE1 3.93Å; M715-I764 HydrophobicContact CE-CG1 4.45Å; M715-I764 HydrophobicContact SD-CG1 4.05Å; M715-L767 HydrophobicContact CG-CD1 3.73Å; M715-L767 HydrophobicContact SD-CD1 3.81Å; M715-Y778 HydrophobicContact CE-CD1 4.06Å; M715-Y778 HydrophobicContact CE-CG 4.26Å; M715-Y778 HydrophobicContact CG-CD1 3.83Å; M715-Y778 HydrophobicContact CG-CD2 4.18Å; M715-Y778 HydrophobicContact CG-CE1 3.74Å; M715-Y778 HydrophobicContact CG-CE2 4.11Å; M715-Y778 HydrophobicContact CG-CG 4.06Å; M715-Y778 HydrophobicContact SD-CD1 4.06Å; M715-Y778 HydrophobicContact SD-CD2 4.19Å; M715-Y778 HydrophobicContact SD-CG 3.87Å
716	A	93.4	Very high	93.4	Very high	10 Å²	10	18.6 Å²	18.6	8%	0.083	10%	0.104	C	C	.	.	H	α-helix	trans	-65.8	-39.1	175.9	0	0	0	0	0	112.5	T697 S712 Y713 I714 A719 L720 F763 L767	T697-A716 HydrophobicContact CG2-CB 4.07Å; S712-A716 WeakPolarHBondContact O-CB 3.32Å; S712-A716 PolarHBondContact O-N 2.88Å; Y713-A716 WeakPolarHBondContact O-CB 3.47Å; Y713-A716 PolarHBondContact O-N 3.45Å; I714-A716 VanDerWaalsContact C-N 3.32Å; I714-A716 PolarHBondContact O-N 2.91Å; A716-A719 PolarHBondContact O-N 2.99Å; A716-L720 WeakPolarHBondContact O-CG 3.23Å; A716-L720 PolarHBondContact O-N 3.33Å; A716-L720 VanDerWaalsContact O-N 3.07Å; A716-F763 HydrophobicContact CB-CZ 4.31Å; A716-L767 HydrophobicContact CB-CD2 4.47Å
717	L	94	Very high	93.7	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-62.1	-46	173.8	-68.6	177.7	0	0	0	111.4	V692 T696 T697 Y713 I714 A719 L720 G721 Y722 F724	V692-L717 HydrophobicContact CG1-CD1 4.21Å; T696-L717 HydrophobicContact CG2-CD2 4.23Å; T696-L717 VanDerWaalsContact OG1-CD2 3.31Å; T696-L717 WeakPolarHBondContact OG1-CD2 3.47Å; T697-L717 HydrophobicContact CG2-CD2 3.97Å; Y713-L717 HydrophobicContact CD1-CD1 4.19Å; Y713-L717 HydrophobicContact CE1-CD1 3.67Å; Y713-L717 HydrophobicContact CE1-CG 4.32Å; Y713-L717 PolarHBondContact O-N 3.14Å; I714-L717 HydrophobicContact CD1-CD1 4.27Å; I714-L717 PolarHBondContact O-N 3.4Å; L717-A719 VanDerWaalsContact C-N 3.32Å; L717-A719 PolarHBondContact O-N 3.36Å; L717-L720 CarbonylContact O-C 3.56Å; L717-L720 WeakPolarHBondContact O-CB 3.19Å; L717-L720 PolarHBondContact O-N 3.43Å; L717-L720 VanDerWaalsContact O-N 3.11Å; L717-G721 PolarHBondContact O-N 3.16Å; L717-Y722 HydrophobicContact CB-CD2 4.27Å; L717-Y722 HydrophobicContact CB-CG 4.18Å; L717-Y722 HydrophobicContact CD2-CD1 4.37Å; L717-Y722 HydrophobicContact CD2-CD2 4.06Å; L717-Y722 HydrophobicContact CD2-CE1 4.34Å; L717-Y722 HydrophobicContact CD2-CE2 3.99Å; L717-Y722 HydrophobicContact CD2-CG 4.25Å; L717-Y722 WeakPolarHBondContact O-CB 3.41Å; L717-Y722 VanDerWaalsContact O-CD2 3.24Å; L717-Y722 WeakPolarHBondContact O-CD2 3.5Å; L717-Y722 PolarHBondContact O-N 3.48Å; L717-Y722 VanDerWaalsContact O-N 3.09Å; L717-F724 HydrophobicContact CB-CZ 4.29Å
718	D	93.2	Very high	93.9	Very high	18 Å²	18	15.4 Å²	15.4	10%	0.096	9%	0.086	C	C	.	.	H	α-helix	trans	-61.4	-39.5	175.6	174.2	68.6	0	0	0	111.8	W682 I714 M715 L720 G721 F724 K777 Y778	W682-D718 HydrophobicContact CB-CB 4.01Å; W682-D718 WeakPolarHBondContact CB-OD1 3.31Å; W682-D718 HydrophobicContact CD2-CB 4.31Å; W682-D718 HydrophobicContact CG-CB 3.76Å; I714-D718 PolarHBondContact O-N 3Å; M715-D718 PolarHBondContact O-N 3.27Å; D718-L720 PolarHBondContact O-N 3.04Å; D718-G721 PolarHBondContact O-N 3.13Å; D718-F724 HydrophobicContact CB-CE2 3.89Å; D718-F724 HydrophobicContact CB-CZ 4.04Å; D718-K777 IonicContact OD1-NZ 2.89Å; D718-K777 PolarHBondContact OD1-NZ 3.07Å; D718-K777 WeakPolarHBondContact OD2-CE 3.37Å; D718-K777 IonicContact OD2-NZ 3.03Å; D718-K777 PolarHBondContact OD2-NZ 2.83Å; D718-Y778 VanDerWaalsContact OD2-CE1 3.25Å; D718-Y778 WeakPolarHBondContact OD2-CE1 3.4Å; D718-Y778 VanDerWaalsContact OD2-CZ 3.3Å; D718-Y778 PolarHBondContact OD2-OH 2.94Å
719	A	90.9	Very high	93.9	Very high	3 Å²	3	19.1 Å²	19.1	3%	0.025	11%	0.107	C	C	.	.	H	α-helix	trans	-64.8	-25.1	175.5	0	0	0	0	0	113.2	M715 A716 L717 G721 L767 H771 Y778	M715-A719 WeakPolarHBondContact O-CB 3.11Å; M715-A719 PolarHBondContact O-N 3.47Å; A716-A719 PolarHBondContact O-N 2.99Å; L717-A719 VanDerWaalsContact C-N 3.32Å; L717-A719 PolarHBondContact O-N 3.36Å; A719-G721 VanDerWaalsContact C-N 3.27Å; A719-L767 HydrophobicContact CB-CD2 4.4Å; A719-H771 PolarHBondContact O-ND1 3.42Å; A719-Y778 VanDerWaalsContact CA-OH 3.23Å; A719-Y778 WeakPolarHBondContact CA-OH 3.29Å; A719-Y778 HydrophobicContact CB-CE2 3.94Å; A719-Y778 WeakPolarHBondContact CB-OH 3.43Å; A719-Y778 PolarHBondContact N-OH 3.39Å
720	L	90.5	Very high	94	Very high	64 Å²	64	18.6 Å²	18.6	34%	0.335	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	3.3	173.3	-70.7	167.8	0	0	0	113.1	N618 T697 A716 L717 D718 Y722 H771	N618-L720 PolarHBondContact ND2-O 3.37Å; T697-L720 HydrophobicContact CG2-CD1 3.97Å; A716-L720 WeakPolarHBondContact O-CG 3.23Å; A716-L720 PolarHBondContact O-N 3.33Å; A716-L720 VanDerWaalsContact O-N 3.07Å; L717-L720 CarbonylContact O-C 3.56Å; L717-L720 WeakPolarHBondContact O-CB 3.19Å; L717-L720 PolarHBondContact O-N 3.43Å; L717-L720 VanDerWaalsContact O-N 3.11Å; D718-L720 PolarHBondContact O-N 3.04Å; L720-Y722 HydrophobicContact CB-CD2 3.8Å; L720-Y722 HydrophobicContact CB-CE2 3.92Å; L720-Y722 HydrophobicContact CD1-CE2 4.4Å; L720-H771 VanDerWaalsContact CD2-CE1 3.5Å; L720-H771 WeakPolarHBondContact CD2-CE1 3.44Å
721	G	90.8	Very high	94.2	Very high	42 Å²	42	18.3 Å²	18.3	43%	0.433	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.1	27.2	178.4	0	0	0	0	0	113.7	L717 D718 A719	L717-G721 PolarHBondContact O-N 3.16Å; D718-G721 PolarHBondContact O-N 3.13Å; A719-G721 VanDerWaalsContact C-N 3.27Å
722	Y	93.4	Very high	94.4	Very high	18 Å²	18	18.1 Å²	18.1	7%	0.071	10%	0.101	C	C	.	.			trans	-69.1	136.1	174	-82.4	-107.5	0	0	0	111.7	Q617 N618 C620 T696 L717 L720	Q617-Y722 VanDerWaalsContact O-CE1 3.27Å; Q617-Y722 WeakPolarHBondContact O-CE1 3.13Å; Q617-Y722 PolarHBondContact O-OH 3.33Å; N618-Y722 VanDerWaalsContact C-CD1 3.43Å; N618-Y722 HydrophobicContact CB-CD1 4.47Å; N618-Y722 HydrophobicContact CB-CD2 4.26Å; N618-Y722 HydrophobicContact CB-CE2 4.41Å; N618-Y722 HydrophobicContact CB-CG 4.3Å; N618-Y722 CarbonylContact O-C 3.58Å; N618-Y722 VanDerWaalsContact O-CA 3.29Å; N618-Y722 WeakPolarHBondContact O-CA 3.28Å; C620-Y722 HydrophobicContact CB-CD1 4.06Å; T696-Y722 WeakPolarHBondContact CB-OH 3.38Å; T696-Y722 VanDerWaalsContact OG1-CZ 3.25Å; T696-Y722 PolarHBondContact OG1-OH 2.99Å; L717-Y722 HydrophobicContact CB-CD2 4.27Å; L717-Y722 HydrophobicContact CB-CG 4.18Å; L717-Y722 HydrophobicContact CD2-CD1 4.37Å; L717-Y722 HydrophobicContact CD2-CD2 4.06Å; L717-Y722 HydrophobicContact CD2-CE1 4.34Å; L717-Y722 HydrophobicContact CD2-CE2 3.99Å; L717-Y722 HydrophobicContact CD2-CG 4.25Å; L717-Y722 WeakPolarHBondContact O-CB 3.41Å; L717-Y722 VanDerWaalsContact O-CD2 3.24Å; L717-Y722 WeakPolarHBondContact O-CD2 3.5Å; L717-Y722 PolarHBondContact O-N 3.48Å; L717-Y722 VanDerWaalsContact O-N 3.09Å; L720-Y722 HydrophobicContact CB-CD2 3.8Å; L720-Y722 HydrophobicContact CB-CE2 3.92Å; L720-Y722 HydrophobicContact CD1-CE2 4.4Å
723	K	94.3	Very high	94.5	Very high	106 Å²	106	18.1 Å²	18.1	46%	0.461	10%	0.101	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	135	168.2	-64.4	-174.9	171.4	-158.2	0	110.4	N618 C620 E679	N618-K723 PolarHBondContact O-N 3.28Å; C620-K723 WeakPolarHBondContact CB-O 3.48Å; C620-K723 PolarHBondContact N-O 3Å; E679-K723 IonicContact OE2-NZ 2.77Å
724	F	96.1	Very high	94.4	Very high	4 Å²	4	19.1 Å²	19.1	2%	0.018	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	107.9	-179.8	-61.2	-88.2	0	0	0	110	C620 V622 E679 V680 W682 Y686 I714 L717 D718	C620-F724 HydrophobicContact CB-CD1 3.88Å; C620-F724 HydrophobicContact CB-CE1 4.14Å; C620-F724 WeakPolarHBondContact O-CA 3.48Å; V622-F724 HydrophobicContact CG2-CB 4.05Å; V622-F724 HydrophobicContact CG2-CD1 4.12Å; E679-F724 CarbonylContact C-O 3.55Å; E679-F724 WeakPolarHBondContact CA-O 3.47Å; V680-F724 HydrophobicContact CG2-CB 3.79Å; V680-F724 PolarHBondContact N-O 2.79Å; W682-F724 HydrophobicContact CB-CD2 4.36Å; W682-F724 HydrophobicContact CB-CE2 3.94Å; Y686-F724 HydrophobicContact CE1-CD1 4.45Å; I714-F724 HydrophobicContact CG2-CE1 3.9Å; I714-F724 HydrophobicContact CG2-CZ 4.03Å; L717-F724 HydrophobicContact CB-CZ 4.29Å; D718-F724 HydrophobicContact CB-CE2 3.89Å; D718-F724 HydrophobicContact CB-CZ 4.04Å
725	I	96.6	Very high	94.3	Very high	15 Å²	15	19.8 Å²	19.8	8%	0.077	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	113	-179.2	-55.5	-58.6	0	0	0	109.2	Y609 I619 C620 L621 V622 D677 Y678 E679	Y609-I725 HydrophobicContact CE1-CG1 4.4Å; Y609-I725 HydrophobicContact CE1-CG2 4.06Å; Y609-I725 HydrophobicContact CE2-CG2 4.22Å; I619-I725 HydrophobicContact CG2-CG1 4.05Å; C620-I725 PolarHBondContact O-N 2.65Å; L621-I725 CarbonylContact C-O 3.59Å; L621-I725 WeakPolarHBondContact CA-O 3.47Å; L621-I725 HydrophobicContact CD2-CB 4.04Å; L621-I725 HydrophobicContact CD2-CG2 4.37Å; V622-I725 PolarHBondContact N-O 3.25Å; D677-I725 HydrophobicContact CB-CG2 4.03Å; Y678-I725 CarbonylContact O-C 3.53Å; Y678-I725 WeakPolarHBondContact O-CA 3.35Å; E679-I725 HydrophobicContact CB-CD1 3.72Å; E679-I725 HydrophobicContact CG-CD1 3.97Å
726	V	97.8	Very high	94.1	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	121.5	177.9	-177.2	0	0	0	0	110.1	V622 P624 T666 D677 Y678 V680	V622-V726 HydrophobicContact CB-CG2 4.1Å; V622-V726 HydrophobicContact CG1-CG2 4.14Å; P624-V726 HydrophobicContact CG-CG1 3.49Å; P624-V726 VanDerWaalsContact CG-CG1 3.49Å; T666-V726 HydrophobicContact CG2-CG1 3.92Å; T666-V726 HydrophobicContact CG2-CG2 4.19Å; D677-V726 VanDerWaalsContact CA-O 3.31Å; D677-V726 WeakPolarHBondContact CA-O 3.16Å; D677-V726 WeakPolarHBondContact CB-O 3.44Å; Y678-V726 HydrophobicContact CD1-CB 4.45Å; Y678-V726 HydrophobicContact CD2-CB 4.23Å; Y678-V726 HydrophobicContact CD2-CG2 4.44Å; Y678-V726 HydrophobicContact CE1-CB 4.03Å; Y678-V726 HydrophobicContact CE1-CG1 4.05Å; Y678-V726 HydrophobicContact CE2-CB 3.79Å; Y678-V726 HydrophobicContact CE2-CG1 4.3Å; Y678-V726 HydrophobicContact CE2-CG2 3.87Å; Y678-V726 PolarHBondContact N-O 2.86Å; Y678-V726 PolarHBondContact O-N 3.26Å; V680-V726 HydrophobicContact CB-CG2 4.34Å; V680-V726 HydrophobicContact CG1-CG2 3.6Å; V680-V726 HydrophobicContact CG2-CG2 3.77Å
727	L	97	Very high	93.9	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	13%	0.129	C	C	.	.			trans	-79.7	133.5	176.8	-57.6	-178	0	0	0	111	Y609 L621 V622 V623 P624 W671 D677 I691 V730	Y609-L727 HydrophobicContact CE2-CD2 4.4Å; L621-L727 HydrophobicContact CB-CD1 4Å; L621-L727 HydrophobicContact CB-CD2 4.2Å; L621-L727 HydrophobicContact CB-CG 4.1Å; L621-L727 HydrophobicContact CD1-CD1 4.4Å; L621-L727 HydrophobicContact CD1-CD2 4.4Å; L621-L727 HydrophobicContact CD2-CD2 4.2Å; V622-L727 PolarHBondContact O-N 3.39Å; V623-L727 HydrophobicContact CG2-CD1 4.33Å; P624-L727 WeakPolarHBondContact CD-O 3.3Å; W671-L727 PolarHBondContact NE1-O 2.87Å; D677-L727 WeakPolarHBondContact OD1-CA 3.34Å; D677-L727 WeakPolarHBondContact OD2-CD2 3.32Å; I691-L727 HydrophobicContact CD1-CD1 4.17Å; L727-V730 HydrophobicContact CB-CG2 3.39Å; L727-V730 HydrophobicContact CD1-CG2 3.63Å; L727-V730 HydrophobicContact CG-CG2 4.15Å
728	T	95.3	Very high	93.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.158	C	C	.	.	S	Bend	trans	-95.2	-18.6	-174.2	50.6	0	0	0	0	114.8	K639 N675 N676 D677 Y678	K639-T728 WeakPolarHBondContact CD-O 3.32Å; K639-T728 PolarHBondContact NZ-O 3.38Å; N675-T728 PolarHBondContact O-OG1 3Å; N676-T728 WeakPolarHBondContact O-CG2 3.48Å; D677-T728 PolarHBondContact OD1-N 3.11Å; D677-T728 PolarHBondContact OD1-OG1 3.32Å; Y678-T728 HydrophobicContact CD1-CG2 4.04Å; Y678-T728 HydrophobicContact CE1-CG2 3.94Å
729	N	90.9	Very high	93.3	Very high	91 Å²	91	31.7 Å²	31.7	49%	0.487	18%	0.182	S	C	.	.	S	Bend	trans	-106.3	12.2	-175.2	-65.4	-43.4	0	0	0	113.8	Q595	Q595-N729 PolarHBondContact NE2-O 3.29Å; Q595-N729 PolarHBondContact OE1-O 3.27Å
730	V	95.4	Very high	93.1	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.006	20%	0.197	C	C	.	.			trans	-139.6	149.2	178.6	-62.7	0	0	0	0	111.2	I598 I602 V623 L727	I598-V730 HydrophobicContact CD1-CB 4.04Å; I598-V730 HydrophobicContact CD1-CG1 4.36Å; I598-V730 HydrophobicContact CG1-CB 3.92Å; I598-V730 HydrophobicContact CG1-CG1 3.7Å; I602-V730 HydrophobicContact CG1-CG1 4.22Å; V623-V730 HydrophobicContact CB-CG2 4.46Å; V623-V730 HydrophobicContact CG1-CB 4.33Å; V623-V730 HydrophobicContact CG1-CG2 3.93Å; V623-V730 HydrophobicContact CG2-CG2 4.09Å; L727-V730 HydrophobicContact CB-CG2 3.39Å; L727-V730 HydrophobicContact CD1-CG2 3.63Å; L727-V730 HydrophobicContact CG-CG2 4.15Å
731	F	96.6	Very high	93	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.21	C	C	.	.			trans	-152.2	162.4	173.3	60	-93.3	0	0	0	112.2	Q595 P624 F626 P636 L642 W671 I733	Q595-F731 HydrophobicContact CB-CD1 4.16Å; Q595-F731 HydrophobicContact CB-CD2 4.12Å; Q595-F731 HydrophobicContact CB-CE1 3.78Å; Q595-F731 HydrophobicContact CB-CE2 3.71Å; Q595-F731 HydrophobicContact CB-CG 4.32Å; Q595-F731 HydrophobicContact CB-CZ 3.54Å; Q595-F731 PolarHBondContact N-O 2.93Å; Q595-F731 VanDerWaalsContact N-O 3.1Å; P624-F731 CarbonylContact O-C 3.6Å; P624-F731 WeakPolarHBondContact O-CA 3.48Å; F626-F731 HydrophobicContact CD2-CB 3.89Å; F626-F731 HydrophobicContact CE2-CB 3.76Å; P636-F731 HydrophobicContact CB-CZ 4.37Å; P636-F731 HydrophobicContact CG-CE2 4.09Å; P636-F731 HydrophobicContact CG-CZ 4.27Å; L642-F731 HydrophobicContact CB-CE1 4.31Å; L642-F731 HydrophobicContact CB-CZ 4.19Å; L642-F731 HydrophobicContact CD1-CD2 4.35Å; L642-F731 HydrophobicContact CD1-CE2 4.31Å; L642-F731 HydrophobicContact CD2-CB 4.21Å; L642-F731 HydrophobicContact CD2-CD1 3.91Å; L642-F731 HydrophobicContact CD2-CD2 4.02Å; L642-F731 HydrophobicContact CD2-CE1 4.28Å; L642-F731 HydrophobicContact CD2-CE2 4.39Å; L642-F731 HydrophobicContact CD2-CG 3.77Å; W671-F731 HydrophobicContact CH2-CD1 4.45Å; W671-F731 HydrophobicContact CZ2-CB 4.38Å; F731-I733 HydrophobicContact CD2-CD1 4.37Å; F731-I733 HydrophobicContact CD2-CG1 4.06Å; F731-I733 HydrophobicContact CE2-CD1 3.88Å; F731-I733 HydrophobicContact CE2-CG1 4.08Å
732	L	96.9	Very high	93	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	149.3	171.5	-64.3	175.5	0	0	0	110.6	F586 I588 F592 P594 V623 P624 F626 Y689	F586-L732 HydrophobicContact CE1-CD2 4.02Å; F586-L732 HydrophobicContact CE2-CD1 4.28Å; F586-L732 HydrophobicContact CZ-CD1 3.81Å; F586-L732 HydrophobicContact CZ-CD2 3.69Å; F586-L732 HydrophobicContact CZ-CG 3.98Å; I588-L732 HydrophobicContact CB-CD1 4.5Å; I588-L732 HydrophobicContact CG2-CD1 3.66Å; I588-L732 HydrophobicContact CG2-CD2 4.33Å; F592-L732 HydrophobicContact CD1-CB 3.72Å; F592-L732 HydrophobicContact CD1-CD1 4.3Å; F592-L732 HydrophobicContact CE1-CB 4.46Å; P594-L732 HydrophobicContact CB-CD2 3.85Å; V623-L732 HydrophobicContact CG1-CD1 4.38Å; V623-L732 HydrophobicContact CG1-CG 3.83Å; P624-L732 PolarHBondContact O-N 3.37Å; F626-L732 PolarHBondContact N-O 3.1Å; Y689-L732 HydrophobicContact CD1-CD1 4.28Å; Y689-L732 HydrophobicContact CD2-CD1 3.99Å; Y689-L732 HydrophobicContact CG-CD1 3.67Å
733	I	95.8	Very high	92.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	120.2	173	-57.7	160.5	0	0	0	109.8	F592 L593 F626 T628 L635 P636 F731 L735	F592-I733 WeakPolarHBondContact CA-O 3.4Å; L593-I733 PolarHBondContact N-O 2.84Å; L593-I733 PolarHBondContact O-N 3.24Å; F626-I733 CarbonylContact O-C 3.59Å; F626-I733 WeakPolarHBondContact O-CA 3.37Å; T628-I733 HydrophobicContact CG2-CG2 4.05Å; L635-I733 HydrophobicContact CB-CD1 3.96Å; L635-I733 HydrophobicContact CD2-CD1 4.09Å; L635-I733 HydrophobicContact CD2-CG2 4.06Å; L635-I733 HydrophobicContact CG-CD1 4.46Å; P636-I733 HydrophobicContact CG-CD1 3.73Å; F731-I733 HydrophobicContact CD2-CD1 4.37Å; F731-I733 HydrophobicContact CD2-CG1 4.06Å; F731-I733 HydrophobicContact CE2-CD1 3.88Å; F731-I733 HydrophobicContact CE2-CG1 4.08Å; I733-L735 HydrophobicContact CG2-CD2 4.23Å
734	H	95.3	Very high	92.5	Very high	24 Å²	24	36.7 Å²	36.7	11%	0.111	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	124.8	168.6	-173.5	-97.7	0	0	0	110.2	F592 F626 E627 T628 F654 H737	F592-H734 HydrophobicContact CD1-CB 3.95Å; F592-H734 AromaticContact CD2-CD2 3.92Å; F592-H734 HydrophobicContact CE1-CB 3.49Å; F592-H734 VanDerWaalsContact CE1-CB 3.49Å; F592-H734 HydrophobicContact CE2-CB 4.23Å; F592-H734 AromaticContact CE2-CD2 3.35Å; F592-H734 WeakPolarHBondContact CE2-CD2 3.49Å; F592-H734 HydrophobicContact CZ-CB 3.65Å; F592-H734 AromaticContact CZ-CD2 3.55Å; F592-H734 AromaticContact CZ-CG 3.93Å; F626-H734 WeakPolarHBondContact O-CB 3.3Å; F626-H734 PolarHBondContact O-N 3.45Å; E627-H734 HydrophobicContact CB-CB 4.03Å; T628-H734 PolarHBondContact N-O 3.2Å; F654-H734 HydrophobicContact CD2-CB 3.76Å; F654-H734 AromaticContact CD2-CG 3.9Å; F654-H734 HydrophobicContact CE2-CB 3.86Å; F654-H734 AromaticContact CE2-CD2 3.59Å; F654-H734 AromaticContact CE2-CG 3.48Å; F654-H734 VanDerWaalsContact CE2-CG 3.48Å; F654-H734 AromaticContact CE2-ND1 3.84Å; F654-H734 AromaticContact CE2-NE2 3.94Å; H734-H737 AromaticContact CE1-CD2 3.46Å; H734-H737 PolarHBondContact CE1-CD2 3.25Å; H734-H737 VanDerWaalsContact CE1-CD2 3.46Å; H734-H737 AromaticContact CE1-NE2 3.32Å; H734-H737 PolarHBondContact CE1-NE2 3.36Å; H734-H737 VanDerWaalsContact CE1-NE2 3.32Å; H734-H737 AromaticContact NE2-CD2 3.48Å; H734-H737 PolarHBondContact NE2-CD2 3.04Å; H734-H737 AromaticContact NE2-NE2 3.09Å; H734-H737 PolarHBondContact NE2-NE2 3.3Å
735	L	92.2	Very high	92.3	Very high	15 Å²	15	38.3 Å²	38.3	8%	0.079	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-89.7	149.4	176.1	-61.4	-171.1	0	0	0	111.6	D591 L593 T628 L635 I733 H737	D591-L735 PolarHBondContact O-N 3.03Å; L593-L735 HydrophobicContact CD1-CD1 3.53Å; L593-L735 HydrophobicContact CD1-CG 4.31Å; L593-L735 HydrophobicContact CG-CD1 3.89Å; L593-L735 HydrophobicContact CG-CG 4.32Å; T628-L735 HydrophobicContact CG2-CD2 4Å; L635-L735 HydrophobicContact CD1-CD2 4.08Å; L635-L735 HydrophobicContact CD2-CD2 3.76Å; I733-L735 HydrophobicContact CG2-CD2 4.23Å; L735-H737 PolarHBondContact O-CD2 3.49Å; L735-H737 PolarHBondContact O-N 3.34Å
736	P	90.5	Very high	92	Very high	34 Å²	34	39.9 Å²	39.9	22%	0.221	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-63.5	134.2	176.8	25.8	-33.6	0	0	0	110.5	R513 T628 N631	R513-P736 PolarHBondContact NH2-O 3.03Å; T628-P736 WeakPolarHBondContact O-CD 3.46Å; N631-P736 WeakPolarHBondContact OD1-CG 3.43Å
737	H	89.3	Confident	91.6	Very high	60 Å²	60	46.9 Å²	46.9	28%	0.278	24%	0.235	S	C	.	.			trans	-150.3	155.4	174.7	67.6	79.6	0	0	0	110.5	R510 D591 H734 L735	R510-H737 PolarHBondContact NH2-ND1 3.37Å; D591-H737 VanDerWaalsContact CB-CD2 3.47Å; D591-H737 WeakPolarHBondContact CB-CD2 3.27Å; D591-H737 IonicContact OD1-CD2 2.65Å; D591-H737 IonicContact OD1-CG 2.67Å; D591-H737 IonicContact OD2-CD2 3.2Å; D591-H737 PolarHBondContact OD2-CD2 2.87Å; D591-H737 IonicContact OD2-CE1 3.44Å; D591-H737 IonicContact OD2-CG 3.81Å; D591-H737 IonicContact OD2-NE2 3.76Å; D591-H737 PolarHBondContact OD2-NE2 3.44Å; H734-H737 AromaticContact CE1-CD2 3.46Å; H734-H737 PolarHBondContact CE1-CD2 3.25Å; H734-H737 VanDerWaalsContact CE1-CD2 3.46Å; H734-H737 AromaticContact CE1-NE2 3.32Å; H734-H737 PolarHBondContact CE1-NE2 3.36Å; H734-H737 VanDerWaalsContact CE1-NE2 3.32Å; H734-H737 AromaticContact NE2-CD2 3.48Å; H734-H737 PolarHBondContact NE2-CD2 3.04Å; H734-H737 AromaticContact NE2-NE2 3.09Å; H734-H737 PolarHBondContact NE2-NE2 3.3Å; L735-H737 PolarHBondContact O-CD2 3.49Å; L735-H737 PolarHBondContact O-N 3.34Å
738	P	87.1	Confident	91.3	Very high	94 Å²	94	53 Å²	53	61%	0.61	27%	0.265	S	S	*	.	P	Polyproline II helix	trans	-60.4	145.9	174	-23.4	34.1	0	0	0	111.9	R510	R510-P738 PolarHBondContact NH2-O 3.49Å
739	P	86.2	Confident	91.1	Very high	94 Å²	94	55.5 Å²	55.5	61%	0.61	28%	0.278	S	S	*	.	P	Polyproline II helix	trans	-56.6	142.2	172.9	-22.9	32.7	0	0	0	111.7	V743	P739-V743 HydrophobicContact CB-CB 4.49Å; P739-V743 HydrophobicContact CB-CG1 4.42Å
740	S	87.2	Confident	91.2	Very high	48 Å²	48	55 Å²	55	34%	0.336	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-71.5	157.4	176.1	66.1	0	0	0	0	111.6	E742 V743 F744	S740-E742 PolarHBondContact O-N 2.7Å; S740-V743 WeakPolarHBondContact O-CB 3.32Å; S740-V743 PolarHBondContact O-N 3.3Å; S740-V743 VanDerWaalsContact O-N 3.08Å; S740-V743 WeakPolarHBondContact OG-CG2 3.4Å; S740-V743 PolarHBondContact OG-N 2.82Å; S740-F744 PolarHBondContact O-N 3.42Å
741	F	88.2	Confident	91	Very high	141 Å²	141	58.5 Å²	58.5	62%	0.618	30%	0.303	S	S	*	.	H	α-helix	trans	-55.1	-36.4	174.2	-179	-102.5	0	0	0	112.3	V743 F744 R745	F741-V743 PolarHBondContact O-N 3.21Å; F741-F744 WeakPolarHBondContact O-CB 3.33Å; F741-F744 PolarHBondContact O-N 3.25Å; F741-F744 VanDerWaalsContact O-N 3.17Å; F741-R745 PolarHBondContact O-N 3.4Å
742	E	90.1	Very high	90.7	Very high	18 Å²	18	58.6 Å²	58.6	8%	0.084	30%	0.303	C	S	.	.	H	α-helix	trans	-61.9	-40.5	176.6	-65.9	-62.7	149.9	0	0	112.9	Y567 G705 F706 S740 F744 R745 Y746	Y567-E742 PolarHBondContact N-OE1 2.84Å; G705-E742 WeakPolarHBondContact CA-OE2 3.23Å; F706-E742 HydrophobicContact CB-CB 3.87Å; S740-E742 PolarHBondContact O-N 2.7Å; E742-F744 VanDerWaalsContact C-N 3.3Å; E742-F744 PolarHBondContact O-N 3.18Å; E742-R745 PolarHBondContact O-N 3.25Å; E742-Y746 WeakPolarHBondContact O-CB 3.43Å; E742-Y746 PolarHBondContact O-N 3.46Å
743	V	89.4	Confident	90.5	Very high	15 Å²	15	62.8 Å²	62.8	9%	0.091	32%	0.319	C	S	.	.	H	α-helix	trans	-62.5	-42.3	174.8	173.8	0	0	0	0	110.2	F706 P739 S740 F741 R747	F706-V743 HydrophobicContact CD1-CG2 4.44Å; F706-V743 HydrophobicContact CD2-CB 4.47Å; F706-V743 HydrophobicContact CD2-CG2 3.37Å; F706-V743 HydrophobicContact CE2-CG2 3.55Å; F706-V743 HydrophobicContact CG-CG2 3.86Å; F706-V743 HydrophobicContact CZ-CG2 4.16Å; P739-V743 HydrophobicContact CB-CB 4.49Å; P739-V743 HydrophobicContact CB-CG1 4.42Å; S740-V743 WeakPolarHBondContact O-CB 3.32Å; S740-V743 PolarHBondContact O-N 3.3Å; S740-V743 VanDerWaalsContact O-N 3.08Å; S740-V743 WeakPolarHBondContact OG-CG2 3.4Å; S740-V743 PolarHBondContact OG-N 2.82Å; F741-V743 PolarHBondContact O-N 3.21Å; V743-R747 WeakPolarHBondContact O-CB 2.88Å; V743-R747 VanDerWaalsContact O-CG 3.29Å; V743-R747 WeakPolarHBondContact O-CG 3.48Å; V743-R747 PolarHBondContact O-N 2.94Å; V743-R747 VanDerWaalsContact O-N 3.08Å
744	F	89.2	Confident	90.3	Very high	116 Å²	116	65.3 Å²	65.3	51%	0.509	34%	0.337	S	S	.	.	H	α-helix	trans	-63.7	-47.4	176.6	-178.7	-94.5	0	0	0	111.4	S740 F741 E742 Y746 R747 M748	S740-F744 PolarHBondContact O-N 3.42Å; F741-F744 WeakPolarHBondContact O-CB 3.33Å; F741-F744 PolarHBondContact O-N 3.25Å; F741-F744 VanDerWaalsContact O-N 3.17Å; E742-F744 VanDerWaalsContact C-N 3.3Å; E742-F744 PolarHBondContact O-N 3.18Å; F744-Y746 PolarHBondContact O-N 2.62Å; F744-R747 PolarHBondContact O-N 3.08Å; F744-R747 VanDerWaalsContact O-N 3.17Å; F744-M748 HydrophobicContact CD1-CG 4.28Å; F744-M748 HydrophobicContact CD2-CE 4.25Å; F744-M748 HydrophobicContact CD2-CG 4.26Å; F744-M748 HydrophobicContact CE1-CG 3.91Å; F744-M748 HydrophobicContact CE2-CE 3.57Å; F744-M748 HydrophobicContact CE2-CG 3.9Å; F744-M748 HydrophobicContact CG-CG 4.44Å; F744-M748 HydrophobicContact CZ-CE 4.05Å; F744-M748 HydrophobicContact CZ-CG 3.71Å; F744-M748 WeakPolarHBondContact O-CG 3.25Å; F744-M748 PolarHBondContact O-N 3.18Å
745	R	90.7	Very high	90.2	Very high	37 Å²	37	64.3 Å²	64.3	14%	0.14	33%	0.332	C	S	.	.	H	α-helix	trans	-58.8	-45.6	177.8	-165.4	-179.1	-178.7	169.7	-1.3	111.7	E462 K565 F741 E742 R747 M748 N749 Y752	E462-R745 IonicContact OE2-CZ 3.45Å; E462-R745 IonicContact OE2-NH2 3.55Å; E462-R745 PolarHBondContact OE2-NH2 3.34Å; K565-R745 PolarHBondContact O-NH1 3Å; F741-R745 PolarHBondContact O-N 3.4Å; E742-R745 PolarHBondContact O-N 3.25Å; R745-R747 PolarHBondContact O-N 2.92Å; R745-M748 PolarHBondContact O-N 3.38Å; R745-N749 WeakPolarHBondContact O-CB 3.36Å; R745-N749 PolarHBondContact O-N 3.08Å; R745-Y752 HydrophobicContact CB-CD2 4.44Å; R745-Y752 HydrophobicContact CB-CE2 4.46Å; R745-Y752 HydrophobicContact CG-CD2 3.92Å; R745-Y752 HydrophobicContact CG-CE2 4.23Å
746	Y	91.2	Very high	90.2	Very high	48 Å²	48	63.6 Å²	63.6	19%	0.188	33%	0.329	C	S	.	.	H	α-helix	trans	-60.7	-40.2	175.5	176.8	-93.6	0	0	0	112.9	F706 E742 F744 Y752 R753 I756	F706-Y746 AromaticContact CD1-CD1 3.77Å; F706-Y746 HydrophobicContact CD1-CD1 3.77Å; F706-Y746 HydrophobicContact CD1-CD2 4.26Å; F706-Y746 HydrophobicContact CD1-CE1 4.4Å; F706-Y746 AromaticContact CD1-CG 3.7Å; F706-Y746 HydrophobicContact CD1-CG 3.7Å; F706-Y746 HydrophobicContact CE1-CD1 4.01Å; F706-Y746 HydrophobicContact CE1-CE1 4.35Å; F706-Y746 HydrophobicContact CE1-CG 4.41Å; E742-Y746 WeakPolarHBondContact O-CB 3.43Å; E742-Y746 PolarHBondContact O-N 3.46Å; F744-Y746 PolarHBondContact O-N 2.62Å; Y746-Y752 AromaticContact CD2-CD1 3.51Å; Y746-Y752 HydrophobicContact CD2-CD1 3.51Å; Y746-Y752 AromaticContact CD2-CE1 3.61Å; Y746-Y752 HydrophobicContact CD2-CE1 3.61Å; Y746-Y752 HydrophobicContact CD2-CG 4.43Å; Y746-Y752 HydrophobicContact CE2-CD1 4.3Å; Y746-Y752 HydrophobicContact CE2-CE1 4.48Å; Y746-Y752 HydrophobicContact CG-CD1 4.38Å; Y746-Y752 HydrophobicContact CG-CE1 4.45Å; Y746-R753 HydrophobicContact CD1-CG 4.49Å; Y746-R753 HydrophobicContact CD2-CG 4.12Å; Y746-R753 HydrophobicContact CE1-CG 4.17Å; Y746-R753 HydrophobicContact CE2-CB 4.41Å; Y746-R753 HydrophobicContact CE2-CG 3.76Å; Y746-R753 HydrophobicContact CG-CG 4.45Å; Y746-R753 VanDerWaalsContact O-CG 3.3Å; Y746-R753 WeakPolarHBondContact O-CG 3.27Å; Y746-R753 PolarHBondContact O-NH1 3.44Å; Y746-I756 HydrophobicContact CD2-CG1 4.44Å; Y746-I756 HydrophobicContact CE2-CB 4.39Å; Y746-I756 HydrophobicContact CE2-CG1 4.22Å; Y746-I756 HydrophobicContact CE2-CG2 4.46Å
747	R	90	Very high	90.1	Very high	148 Å²	148	64.8 Å²	64.8	56%	0.558	33%	0.333	S	S	*	.	H	α-helix	trans	-73.7	-29.9	179.8	-74.1	176.3	179.6	177.8	0.6	113.4	V743 F744 R745 R753	V743-R747 WeakPolarHBondContact O-CB 2.88Å; V743-R747 VanDerWaalsContact O-CG 3.29Å; V743-R747 WeakPolarHBondContact O-CG 3.48Å; V743-R747 PolarHBondContact O-N 2.94Å; V743-R747 VanDerWaalsContact O-N 3.08Å; F744-R747 PolarHBondContact O-N 3.08Å; F744-R747 VanDerWaalsContact O-N 3.17Å; R745-R747 PolarHBondContact O-N 2.92Å; R747-R753 PolarHBondContact O-NH1 2.87Å
748	M	90.5	Very high	90.2	Very high	130 Å²	130	65.9 Å²	65.9	64%	0.64	34%	0.337	S	S	*	.	H	α-helix	trans	-95.5	-25.3	-176.7	-64.3	-56.7	-178.1	0	0	113.8	F744 R745	F744-M748 HydrophobicContact CD1-CG 4.28Å; F744-M748 HydrophobicContact CD2-CE 4.25Å; F744-M748 HydrophobicContact CD2-CG 4.26Å; F744-M748 HydrophobicContact CE1-CG 3.91Å; F744-M748 HydrophobicContact CE2-CE 3.57Å; F744-M748 HydrophobicContact CE2-CG 3.9Å; F744-M748 HydrophobicContact CG-CG 4.44Å; F744-M748 HydrophobicContact CZ-CE 4.05Å; F744-M748 HydrophobicContact CZ-CG 3.71Å; F744-M748 WeakPolarHBondContact O-CG 3.25Å; F744-M748 PolarHBondContact O-N 3.18Å; R745-M748 PolarHBondContact O-N 3.38Å
749	N	91.3	Very high	90.4	Very high	52 Å²	52	61.5 Å²	61.5	28%	0.278	31%	0.309	S	S	.	.			trans	-102.7	108.6	-175.9	-171.6	-24.9	0	0	0	111.3	R745 V751 Y752 R753	R745-N749 WeakPolarHBondContact O-CB 3.36Å; R745-N749 PolarHBondContact O-N 3.08Å; N749-V751 VanDerWaalsContact C-N 3.31Å; N749-V751 PolarHBondContact O-N 2.73Å; N749-V751 WeakPolarHBondContact OD1-CA 3.24Å; N749-V751 VanDerWaalsContact OD1-CB 3.24Å; N749-V751 WeakPolarHBondContact OD1-CB 3.38Å; N749-V751 PolarHBondContact OD1-N 2.86Å; N749-Y752 WeakPolarHBondContact O-CB 3.42Å; N749-Y752 PolarHBondContact O-N 3.21Å; N749-Y752 PolarHBondContact OD1-N 3.2Å; N749-Y752 VanDerWaalsContact OD1-N 3.07Å; N749-R753 PolarHBondContact O-N 2.74Å
750	S	91.8	Very high	90.6	Very high	79 Å²	79	58.6 Å²	58.6	55%	0.552	29%	0.286	S	S	*	.	H	α-helix	trans	-65.4	-33.1	176.8	55.6	0	0	0	0	113	R753 S754	S750-R753 PolarHBondContact O-N 3.42Å; S750-S754 PolarHBondContact O-N 2.8Å
751	V	90.9	Very high	90.6	Very high	75 Å²	75	58.7 Å²	58.7	46%	0.455	28%	0.283	S	S	.	.	H	α-helix	trans	-63.3	-45	175.3	-176.9	0	0	0	0	109.7	G459 N749 R753 S754 C755	G459-V751 WeakPolarHBondContact O-CG1 3.36Å; N749-V751 VanDerWaalsContact C-N 3.31Å; N749-V751 PolarHBondContact O-N 2.73Å; N749-V751 WeakPolarHBondContact OD1-CA 3.24Å; N749-V751 VanDerWaalsContact OD1-CB 3.24Å; N749-V751 WeakPolarHBondContact OD1-CB 3.38Å; N749-V751 PolarHBondContact OD1-N 2.86Å; V751-R753 VanDerWaalsContact C-N 3.34Å; V751-R753 PolarHBondContact O-N 2.88Å; V751-S754 PolarHBondContact O-N 3.46Å; V751-C755 WeakPolarHBondContact O-CB 3.33Å; V751-C755 PolarHBondContact O-N 3.21Å; V751-C755 PolarHBondContact O-SG 2.97Å
752	Y	91.7	Very high	90.6	Very high	2 Å²	2	54.1 Å²	54.1	1%	0.008	27%	0.265	C	S	.	.	H	α-helix	trans	-52.1	-52.9	173.5	-168.9	-48.1	0	0	0	110.5	F463 F566 I704 G705 F706 R745 Y746 N749 S754 C755 I756	F463-Y752 HydrophobicContact CE1-CE1 4.21Å; F463-Y752 HydrophobicContact CE2-CD1 4.41Å; F463-Y752 HydrophobicContact CE2-CD2 4.22Å; F463-Y752 HydrophobicContact CE2-CE2 4.49Å; F463-Y752 HydrophobicContact CE2-CG 4.15Å; F463-Y752 AromaticContact CZ-CD1 3.71Å; F463-Y752 HydrophobicContact CZ-CD1 3.71Å; F463-Y752 AromaticContact CZ-CD2 3.92Å; F463-Y752 HydrophobicContact CZ-CD2 3.92Å; F463-Y752 AromaticContact CZ-CE1 3.56Å; F463-Y752 HydrophobicContact CZ-CE1 3.56Å; F463-Y752 AromaticContact CZ-CE2 3.84Å; F463-Y752 HydrophobicContact CZ-CE2 3.84Å; F463-Y752 AromaticContact CZ-CG 3.84Å; F463-Y752 HydrophobicContact CZ-CG 3.84Å; F463-Y752 AromaticContact CZ-CZ 3.61Å; F566-Y752 AromaticContact CD1-CE2 3.79Å; F566-Y752 HydrophobicContact CD1-CE2 3.79Å; F566-Y752 AromaticContact CE1-CD2 3.78Å; F566-Y752 HydrophobicContact CE1-CD2 3.78Å; F566-Y752 AromaticContact CE1-CE2 3.47Å; F566-Y752 HydrophobicContact CE1-CE2 3.47Å; F566-Y752 VanDerWaalsContact CE1-CE2 3.47Å; I704-Y752 PolarHBondContact O-OH 3.02Å; I704-Y752 VanDerWaalsContact O-OH 3.14Å; G705-Y752 WeakPolarHBondContact CA-OH 3.28Å; F706-Y752 PolarHBondContact N-OH 3.14Å; F706-Y752 WeakPolarHBondContact O-CE1 3.45Å; F706-Y752 PolarHBondContact O-OH 3.47Å; R745-Y752 HydrophobicContact CB-CD2 4.44Å; R745-Y752 HydrophobicContact CB-CE2 4.46Å; R745-Y752 HydrophobicContact CG-CD2 3.92Å; R745-Y752 HydrophobicContact CG-CE2 4.23Å; Y746-Y752 AromaticContact CD2-CD1 3.51Å; Y746-Y752 HydrophobicContact CD2-CD1 3.51Å; Y746-Y752 AromaticContact CD2-CE1 3.61Å; Y746-Y752 HydrophobicContact CD2-CE1 3.61Å; Y746-Y752 HydrophobicContact CD2-CG 4.43Å; Y746-Y752 HydrophobicContact CE2-CD1 4.3Å; Y746-Y752 HydrophobicContact CE2-CE1 4.48Å; Y746-Y752 HydrophobicContact CG-CD1 4.38Å; Y746-Y752 HydrophobicContact CG-CE1 4.45Å; N749-Y752 WeakPolarHBondContact O-CB 3.42Å; N749-Y752 PolarHBondContact O-N 3.21Å; N749-Y752 PolarHBondContact OD1-N 3.2Å; N749-Y752 VanDerWaalsContact OD1-N 3.07Å; Y752-S754 VanDerWaalsContact C-N 3.34Å; Y752-S754 PolarHBondContact O-N 3.02Å; Y752-C755 WeakPolarHBondContact O-CB 3.45Å; Y752-C755 PolarHBondContact O-N 2.92Å; Y752-C755 VanDerWaalsContact O-N 3.16Å; Y752-I756 HydrophobicContact CD1-CD1 4.46Å; Y752-I756 HydrophobicContact CD1-CG1 3.64Å; Y752-I756 HydrophobicContact CE1-CD1 3.82Å; Y752-I756 HydrophobicContact CE1-CG1 3.42Å; Y752-I756 VanDerWaalsContact CE1-CG1 3.42Å; Y752-I756 PolarHBondContact O-N 3.16Å
753	R	92.1	Very high	90.6	Very high	88 Å²	88	53.7 Å²	53.7	33%	0.332	26%	0.263	S	S	.	.	H	α-helix	trans	-59.1	-44.9	-179.5	-67.9	-165.6	-73.1	-96.1	7.8	112.3	Y746 R747 N749 S750 V751 C755 I756 D757	Y746-R753 HydrophobicContact CD1-CG 4.49Å; Y746-R753 HydrophobicContact CD2-CG 4.12Å; Y746-R753 HydrophobicContact CE1-CG 4.17Å; Y746-R753 HydrophobicContact CE2-CB 4.41Å; Y746-R753 HydrophobicContact CE2-CG 3.76Å; Y746-R753 HydrophobicContact CG-CG 4.45Å; Y746-R753 VanDerWaalsContact O-CG 3.3Å; Y746-R753 WeakPolarHBondContact O-CG 3.27Å; Y746-R753 PolarHBondContact O-NH1 3.44Å; R747-R753 PolarHBondContact O-NH1 2.87Å; N749-R753 PolarHBondContact O-N 2.74Å; S750-R753 PolarHBondContact O-N 3.42Å; V751-R753 VanDerWaalsContact C-N 3.34Å; V751-R753 PolarHBondContact O-N 2.88Å; R753-C755 VanDerWaalsContact C-N 3.31Å; R753-C755 PolarHBondContact O-N 3.01Å; R753-I756 PolarHBondContact O-N 2.64Å; R753-D757 PolarHBondContact O-N 2.82Å
754	S	92.1	Very high	90.6	Very high	54 Å²	54	53.1 Å²	53.1	38%	0.378	26%	0.259	S	S	.	.	H	α-helix	trans	-60	-42.1	176.3	-175.9	0	0	0	0	111.7	S750 V751 Y752 D757 K758	S750-S754 PolarHBondContact O-N 2.8Å; V751-S754 PolarHBondContact O-N 3.46Å; Y752-S754 VanDerWaalsContact C-N 3.34Å; Y752-S754 PolarHBondContact O-N 3.02Å; S754-D757 PolarHBondContact O-N 2.66Å; S754-K758 WeakPolarHBondContact O-CG 3.16Å; S754-K758 PolarHBondContact O-N 2.95Å
755	C	92.4	Very high	90.5	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.014	26%	0.262	C	S	.	.	H	α-helix	trans	-61.1	-47.2	176.2	-67.5	0	0	0	0	112.2	G459 C460 F463 V751 Y752 R753 D757 K758 L759	G459-C755 PolarHBondContact O-SG 3.07Å; C460-C755 WeakPolarHBondContact CA-SG 3.24Å; C460-C755 HydrophobicContact CB-CB 3.87Å; C460-C755 WeakPolarHBondContact CB-SG 3.35Å; C460-C755 WeakPolarHBondContact SG-CA 3.41Å; C460-C755 WeakPolarHBondContact SG-CB 3.43Å; C460-C755 CovalentContact SG-SG 2.02Å; C460-C755 PolarHBondContact SG-SG 3.17Å; F463-C755 HydrophobicContact CD2-CB 4.28Å; F463-C755 HydrophobicContact CE2-CB 4.21Å; V751-C755 WeakPolarHBondContact O-CB 3.33Å; V751-C755 PolarHBondContact O-N 3.21Å; V751-C755 PolarHBondContact O-SG 2.97Å; Y752-C755 WeakPolarHBondContact O-CB 3.45Å; Y752-C755 PolarHBondContact O-N 2.92Å; Y752-C755 VanDerWaalsContact O-N 3.16Å; R753-C755 VanDerWaalsContact C-N 3.31Å; R753-C755 PolarHBondContact O-N 3.01Å; C755-D757 VanDerWaalsContact C-N 3.32Å; C755-D757 PolarHBondContact O-N 3.03Å; C755-K758 PolarHBondContact O-N 3.37Å; C755-L759 VanDerWaalsContact O-CG 3.3Å; C755-L759 WeakPolarHBondContact O-CG 3.44Å; C755-L759 PolarHBondContact O-N 3.18Å
756	I	91.5	Very high	90.5	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-58.2	-45.4	174	-68.8	-62.6	0	0	0	110.9	F463 W708 Y746 Y752 R753 K758 L759 K760	F463-I756 HydrophobicContact CE1-CD1 4.13Å; W708-I756 HydrophobicContact CB-CG2 4.46Å; Y746-I756 HydrophobicContact CD2-CG1 4.44Å; Y746-I756 HydrophobicContact CE2-CB 4.39Å; Y746-I756 HydrophobicContact CE2-CG1 4.22Å; Y746-I756 HydrophobicContact CE2-CG2 4.46Å; Y752-I756 HydrophobicContact CD1-CD1 4.46Å; Y752-I756 HydrophobicContact CD1-CG1 3.64Å; Y752-I756 HydrophobicContact CE1-CD1 3.82Å; Y752-I756 HydrophobicContact CE1-CG1 3.42Å; Y752-I756 VanDerWaalsContact CE1-CG1 3.42Å; Y752-I756 PolarHBondContact O-N 3.16Å; R753-I756 PolarHBondContact O-N 2.64Å; I756-K758 VanDerWaalsContact C-N 3.32Å; I756-K758 PolarHBondContact O-N 3.28Å; I756-L759 HydrophobicContact CD1-CD1 4.29Å; I756-L759 WeakPolarHBondContact O-CB 3.47Å; I756-L759 PolarHBondContact O-N 3.06Å; I756-L759 VanDerWaalsContact O-N 3.17Å; I756-K760 HydrophobicContact CG2-CD 4.4Å; I756-K760 HydrophobicContact CG2-CG 4.35Å; I756-K760 VanDerWaalsContact O-CG 3.27Å; I756-K760 WeakPolarHBondContact O-CG 3.5Å; I756-K760 PolarHBondContact O-N 2.54Å
757	D	90.2	Very high	90.3	Very high	59 Å²	59	53 Å²	53	32%	0.316	26%	0.259	S	S	.	.	H	α-helix	trans	-66.3	-33	-179.7	-70.9	-26.9	0	0	0	113.4	R753 S754 C755 K760 L761 R782	R753-D757 PolarHBondContact O-N 2.82Å; S754-D757 PolarHBondContact O-N 2.66Å; C755-D757 VanDerWaalsContact C-N 3.32Å; C755-D757 PolarHBondContact O-N 3.03Å; D757-K760 IonicContact OD1-NZ 3.21Å; D757-K760 PolarHBondContact OD1-NZ 3.45Å; D757-L761 PolarHBondContact O-N 3.09Å; D757-R782 PolarHBondContact O-NH2 3.05Å
758	K	90.6	Very high	90.1	Very high	83 Å²	83	47 Å²	47	36%	0.361	24%	0.241	S	C	.	.	H	α-helix	trans	-67.1	-43.9	170.4	-69.6	176.5	-172	177.7	0	111.2	I457 D458 S754 C755 I756 K760 L761 D762	I457-K758 HydrophobicContact CD1-CB 4.28Å; I457-K758 HydrophobicContact CG2-CB 3.9Å; I457-K758 HydrophobicContact CG2-CD 3.27Å; I457-K758 HydrophobicContact CG2-CG 4.22Å; D458-K758 PolarHBondContact O-NZ 3.02Å; S754-K758 WeakPolarHBondContact O-CG 3.16Å; S754-K758 PolarHBondContact O-N 2.95Å; C755-K758 PolarHBondContact O-N 3.37Å; I756-K758 VanDerWaalsContact C-N 3.32Å; I756-K758 PolarHBondContact O-N 3.28Å; K758-K760 PolarHBondContact O-N 3.11Å; K758-L761 WeakPolarHBondContact O-CB 3.46Å; K758-L761 PolarHBondContact O-N 3.33Å; K758-D762 PolarHBondContact O-N 3.42Å
759	L	90.7	Very high	89.9	Confident	3 Å²	3	49.8 Å²	49.8	2%	0.016	25%	0.25	C	C	.	.	H	α-helix	trans	-61.9	-40.8	175.8	-70.6	165.3	0	0	0	112	I457 F463 I702 F703 C755 I756 L761 D762 F763	I457-L759 HydrophobicContact CD1-CD2 3.33Å; I457-L759 HydrophobicContact CD1-CG 3.6Å; F463-L759 HydrophobicContact CD1-CD1 4.24Å; I702-L759 HydrophobicContact CB-CD2 4.22Å; I702-L759 HydrophobicContact CD1-CB 4.41Å; I702-L759 HydrophobicContact CD1-CD2 3.8Å; I702-L759 HydrophobicContact CG1-CD2 4.17Å; F703-L759 HydrophobicContact CD1-CB 4.36Å; F703-L759 HydrophobicContact CE1-CB 3.64Å; F703-L759 HydrophobicContact CZ-CB 4.1Å; C755-L759 VanDerWaalsContact O-CG 3.3Å; C755-L759 WeakPolarHBondContact O-CG 3.44Å; C755-L759 PolarHBondContact O-N 3.18Å; I756-L759 HydrophobicContact CD1-CD1 4.29Å; I756-L759 WeakPolarHBondContact O-CB 3.47Å; I756-L759 PolarHBondContact O-N 3.06Å; I756-L759 VanDerWaalsContact O-N 3.17Å; L759-L761 PolarHBondContact O-N 3.29Å; L759-D762 PolarHBondContact O-N 3.18Å; L759-F763 WeakPolarHBondContact O-CB 3.47Å; L759-F763 PolarHBondContact O-N 2.89Å
760	K	90.4	Very high	89.7	Confident	33 Å²	33	53.7 Å²	53.7	14%	0.143	27%	0.266	C	S	.	.	H	α-helix	trans	-56.3	-49.1	173.7	-70.7	179.8	-173.3	156.8	0	111.6	F703 W708 I756 D757 K758 F763 I764	F703-K760 HydrophobicContact CE1-CG 4.4Å; W708-K760 HydrophobicContact CB-CD 4.42Å; W708-K760 HydrophobicContact CB-CG 4.13Å; W708-K760 VanDerWaalsContact CD1-CE 3.42Å; W708-K760 HydrophobicContact CD2-CB 4.35Å; W708-K760 HydrophobicContact CD2-CD 4.04Å; W708-K760 HydrophobicContact CD2-CG 3.48Å; W708-K760 VanDerWaalsContact CD2-CG 3.48Å; W708-K760 HydrophobicContact CE3-CB 4.29Å; W708-K760 HydrophobicContact CE3-CG 3.7Å; W708-K760 HydrophobicContact CG-CD 3.89Å; W708-K760 VanDerWaalsContact CG-CE 3.46Å; W708-K760 HydrophobicContact CG-CG 3.7Å; W708-K760 HydrophobicContact CH2-CB 4.32Å; W708-K760 HydrophobicContact CH2-CG 4.44Å; W708-K760 HydrophobicContact CZ2-CB 4.4Å; W708-K760 HydrophobicContact CZ2-CG 4.29Å; W708-K760 HydrophobicContact CZ3-CB 4.26Å; W708-K760 HydrophobicContact CZ3-CG 4.17Å; I756-K760 HydrophobicContact CG2-CD 4.4Å; I756-K760 HydrophobicContact CG2-CG 4.35Å; I756-K760 VanDerWaalsContact O-CG 3.27Å; I756-K760 WeakPolarHBondContact O-CG 3.5Å; I756-K760 PolarHBondContact O-N 2.54Å; D757-K760 IonicContact OD1-NZ 3.21Å; D757-K760 PolarHBondContact OD1-NZ 3.45Å; K758-K760 PolarHBondContact O-N 3.11Å; K760-F763 PolarHBondContact O-N 2.92Å; K760-I764 VanDerWaalsContact O-CG1 3.31Å; K760-I764 WeakPolarHBondContact O-CG1 3.16Å; K760-I764 PolarHBondContact O-N 3.19Å
761	L	87.9	Confident	89.3	Confident	49 Å²	49	52.9 Å²	52.9	26%	0.257	25%	0.253	S	S	.	.	H	α-helix	trans	-60	-47.3	178	-83.4	174.5	0	0	0	112.2	D757 K758 L759 F763 I764 K765 R782	D757-L761 PolarHBondContact O-N 3.09Å; K758-L761 WeakPolarHBondContact O-CB 3.46Å; K758-L761 PolarHBondContact O-N 3.33Å; L759-L761 PolarHBondContact O-N 3.29Å; L761-F763 VanDerWaalsContact C-N 3.33Å; L761-I764 PolarHBondContact O-N 2.77Å; L761-K765 WeakPolarHBondContact O-CB 3.31Å; L761-K765 VanDerWaalsContact O-CG 3.28Å; L761-K765 WeakPolarHBondContact O-CG 3.28Å; L761-K765 PolarHBondContact O-N 2.84Å; L761-R782 VanDerWaalsContact CD2-CZ 3.41Å; L761-R782 VanDerWaalsContact CG-NH1 3.32Å
762	D	88.2	Confident	88.7	Confident	46 Å²	46	51 Å²	51	25%	0.246	25%	0.25	C	C	.	.	H	α-helix	trans	-59.7	-47.2	178.8	180	72.6	0	0	0	110.8	I455 K758 L759 I764 K765 R766	I455-D762 WeakPolarHBondContact CD1-OD2 3.49Å; K758-D762 PolarHBondContact O-N 3.42Å; L759-D762 PolarHBondContact O-N 3.18Å; D762-I764 PolarHBondContact O-N 3.4Å; D762-K765 WeakPolarHBondContact O-CB 3.34Å; D762-K765 PolarHBondContact O-N 3.36Å; D762-R766 WeakPolarHBondContact O-CG 3.36Å; D762-R766 PolarHBondContact O-N 2.89Å; D762-R766 IonicContact OD2-CZ 2.69Å; D762-R766 IonicContact OD2-NE 3Å; D762-R766 PolarHBondContact OD2-NE 3.44Å; D762-R766 IonicContact OD2-NH2 3.55Å
763	F	90.5	Very high	87.4	Confident	8 Å²	8	56.6 Å²	56.6	4%	0.035	28%	0.284	C	S	.	.	H	α-helix	trans	-57.9	-47.6	177.2	-179.6	-93.3	0	0	0	112.6	D700 F703 W708 S712 M715 A716 L759 K760 L761 K765 R766 L767	D700-F763 HydrophobicContact CB-CD2 4.16Å; D700-F763 HydrophobicContact CB-CE2 3.82Å; D700-F763 VanDerWaalsContact OD2-CD2 3.25Å; D700-F763 WeakPolarHBondContact OD2-CD2 3.46Å; D700-F763 WeakPolarHBondContact OD2-CE2 3.22Å; F703-F763 HydrophobicContact CE2-CB 4.04Å; F703-F763 AromaticContact CE2-CD2 3.9Å; F703-F763 HydrophobicContact CE2-CD2 3.9Å; F703-F763 HydrophobicContact CE2-CG 4.01Å; F703-F763 HydrophobicContact CZ-CB 3.91Å; F703-F763 HydrophobicContact CZ-CG 4.31Å; W708-F763 HydrophobicContact CH2-CB 4.4Å; W708-F763 AromaticContact CH2-CD1 3.44Å; W708-F763 HydrophobicContact CH2-CD1 3.44Å; W708-F763 VanDerWaalsContact CH2-CD1 3.44Å; W708-F763 HydrophobicContact CH2-CE1 4.03Å; W708-F763 HydrophobicContact CH2-CG 4.24Å; W708-F763 HydrophobicContact CZ3-CB 3.81Å; W708-F763 AromaticContact CZ3-CD1 3.27Å; W708-F763 HydrophobicContact CZ3-CD1 3.27Å; W708-F763 AromaticContact CZ3-CE1 3.91Å; W708-F763 HydrophobicContact CZ3-CE1 3.91Å; W708-F763 AromaticContact CZ3-CG 3.68Å; W708-F763 HydrophobicContact CZ3-CG 3.68Å; S712-F763 WeakPolarHBondContact O-CZ 3.47Å; M715-F763 HydrophobicContact CB-CE1 4.43Å; M715-F763 HydrophobicContact CG-CE1 4.41Å; M715-F763 HydrophobicContact SD-CD1 4.22Å; M715-F763 HydrophobicContact SD-CE1 3.93Å; A716-F763 HydrophobicContact CB-CZ 4.31Å; L759-F763 WeakPolarHBondContact O-CB 3.47Å; L759-F763 PolarHBondContact O-N 2.89Å; K760-F763 PolarHBondContact O-N 2.92Å; L761-F763 VanDerWaalsContact C-N 3.33Å; F763-K765 VanDerWaalsContact C-N 3.32Å; F763-K765 PolarHBondContact O-N 3.3Å; F763-R766 PolarHBondContact O-N 2.98Å; F763-L767 HydrophobicContact CD1-CD1 3.81Å; F763-L767 HydrophobicContact CD1-CG 4.19Å; F763-L767 HydrophobicContact CE1-CD1 3.16Å; F763-L767 HydrophobicContact CE1-CG 3.81Å; F763-L767 HydrophobicContact CE2-CG 4.49Å; F763-L767 HydrophobicContact CZ-CD1 3.61Å; F763-L767 HydrophobicContact CZ-CD2 4.33Å; F763-L767 HydrophobicContact CZ-CG 3.95Å; F763-L767 PolarHBondContact O-N 2.74Å
764	I	88.7	Confident	86.3	Confident	3 Å²	3	59 Å²	59	2%	0.015	30%	0.299	C	S	.	.	H	α-helix	trans	-61	-42.6	177.4	-67.2	166.5	0	0	0	110.7	W708 M715 K760 L761 D762 R766 L767 A768 L779	W708-I764 HydrophobicContact CH2-CD1 4.22Å; W708-I764 HydrophobicContact CH2-CG1 3.89Å; W708-I764 HydrophobicContact CZ2-CD1 4.28Å; W708-I764 HydrophobicContact CZ2-CG1 4.4Å; M715-I764 HydrophobicContact CE-CG1 4.45Å; M715-I764 HydrophobicContact SD-CG1 4.05Å; K760-I764 VanDerWaalsContact O-CG1 3.31Å; K760-I764 WeakPolarHBondContact O-CG1 3.16Å; K760-I764 PolarHBondContact O-N 3.19Å; L761-I764 PolarHBondContact O-N 2.77Å; D762-I764 PolarHBondContact O-N 3.4Å; I764-R766 PolarHBondContact O-N 3.41Å; I764-L767 PolarHBondContact O-N 2.69Å; I764-A768 WeakPolarHBondContact O-CB 3.45Å; I764-A768 PolarHBondContact O-N 2.78Å; I764-L779 HydrophobicContact CG2-CD2 3.69Å; I764-L779 HydrophobicContact CG2-CG 4.06Å
765	K	87.5	Confident	85.4	Confident	131 Å²	131	56.4 Å²	56.4	57%	0.57	28%	0.281	S	S	*	.	H	α-helix	trans	-62.7	-41	175.7	-72.8	173.9	-178.9	-178.6	0	111.7	L761 D762 F763 A768 K769	L761-K765 WeakPolarHBondContact O-CB 3.31Å; L761-K765 VanDerWaalsContact O-CG 3.28Å; L761-K765 WeakPolarHBondContact O-CG 3.28Å; L761-K765 PolarHBondContact O-N 2.84Å; D762-K765 WeakPolarHBondContact O-CB 3.34Å; D762-K765 PolarHBondContact O-N 3.36Å; F763-K765 VanDerWaalsContact C-N 3.32Å; F763-K765 PolarHBondContact O-N 3.3Å; K765-A768 PolarHBondContact O-N 2.99Å; K765-K769 WeakPolarHBondContact O-CB 3.37Å; K765-K769 PolarHBondContact O-N 3.25Å
766	R	89.4	Confident	84.3	Confident	60 Å²	60	60.5 Å²	60.5	23%	0.226	30%	0.302	C	S	.	.	H	α-helix	trans	-63.9	-46.3	176.1	-74.7	-167.7	-68.7	118.2	-1.2	111.5	D700 D762 F763 I764 K769 Q770	D700-R766 IonicContact OD1-NH2 2.85Å; D700-R766 IonicContact OD2-CZ 3.2Å; D700-R766 VanDerWaalsContact OD2-CZ 3.3Å; D700-R766 IonicContact OD2-NH1 3.63Å; D700-R766 PolarHBondContact OD2-NH1 3.07Å; D700-R766 IonicContact OD2-NH2 3.65Å; D700-R766 PolarHBondContact OD2-NH2 3.24Å; D762-R766 WeakPolarHBondContact O-CG 3.36Å; D762-R766 PolarHBondContact O-N 2.89Å; D762-R766 IonicContact OD2-CZ 2.69Å; D762-R766 IonicContact OD2-NE 3Å; D762-R766 PolarHBondContact OD2-NE 3.44Å; D762-R766 IonicContact OD2-NH2 3.55Å; F763-R766 PolarHBondContact O-N 2.98Å; I764-R766 PolarHBondContact O-N 3.41Å; R766-K769 PolarHBondContact O-N 3.23Å; R766-Q770 WeakPolarHBondContact O-CG 3.41Å; R766-Q770 PolarHBondContact O-N 3.12Å
767	L	88	Confident	83.8	Confident	8 Å²	8	64.6 Å²	64.6	4%	0.042	32%	0.32	C	S	.	.	H	α-helix	trans	-60.9	-45	174.8	-78.3	-175.6	0	0	0	112	M715 A716 A719 F763 I764 K769 Q770 H771 Y778	M715-L767 HydrophobicContact CG-CD1 3.73Å; M715-L767 HydrophobicContact SD-CD1 3.81Å; A716-L767 HydrophobicContact CB-CD2 4.47Å; A719-L767 HydrophobicContact CB-CD2 4.4Å; F763-L767 HydrophobicContact CD1-CD1 3.81Å; F763-L767 HydrophobicContact CD1-CG 4.19Å; F763-L767 HydrophobicContact CE1-CD1 3.16Å; F763-L767 HydrophobicContact CE1-CG 3.81Å; F763-L767 HydrophobicContact CE2-CG 4.49Å; F763-L767 HydrophobicContact CZ-CD1 3.61Å; F763-L767 HydrophobicContact CZ-CD2 4.33Å; F763-L767 HydrophobicContact CZ-CG 3.95Å; F763-L767 PolarHBondContact O-N 2.74Å; I764-L767 PolarHBondContact O-N 2.69Å; L767-K769 VanDerWaalsContact C-N 3.29Å; L767-K769 PolarHBondContact O-N 3.21Å; L767-Q770 PolarHBondContact O-N 2.91Å; L767-Q770 VanDerWaalsContact O-N 3.11Å; L767-H771 PolarHBondContact O-N 3.47Å; L767-Y778 HydrophobicContact CD1-CE2 4.49Å
768	A	85.8	Confident	83.4	Confident	21 Å²	21	61.9 Å²	61.9	17%	0.174	31%	0.305	C	S	.	.	H	α-helix	trans	-59.8	-39.5	176.5	0	0	0	0	0	112.4	I764 K765 Q770 G772 A775	I764-A768 WeakPolarHBondContact O-CB 3.45Å; I764-A768 PolarHBondContact O-N 2.78Å; K765-A768 PolarHBondContact O-N 2.99Å; A768-Q770 VanDerWaalsContact C-N 3.35Å; A768-G772 VanDerWaalsContact O-CA 3.31Å; A768-G772 WeakPolarHBondContact O-CA 3.48Å; A768-G772 PolarHBondContact O-N 2.88Å; A768-A775 HydrophobicContact CB-CB 4.27Å
769	K	86.5	Confident	82.5	Confident	190 Å²	190	61.8 Å²	61.8	83%	0.826	31%	0.308	S	S	*	.	H	α-helix	trans	-67.1	-34.5	175.2	-172.2	178	179.3	-179.2	0	112.6	K765 R766 L767	K765-K769 WeakPolarHBondContact O-CB 3.37Å; K765-K769 PolarHBondContact O-N 3.25Å; R766-K769 PolarHBondContact O-N 3.23Å; L767-K769 VanDerWaalsContact C-N 3.29Å; L767-K769 PolarHBondContact O-N 3.21Å
770	Q	86	Confident	81.3	Confident	133 Å²	133	68 Å²	68	62%	0.621	34%	0.337	S	S	*	.	H	α-helix	trans	-82.6	-41	-177	-74.4	175.3	-23.1	0	0	113.5	R766 L767 A768	R766-Q770 WeakPolarHBondContact O-CG 3.41Å; R766-Q770 PolarHBondContact O-N 3.12Å; L767-Q770 PolarHBondContact O-N 2.91Å; L767-Q770 VanDerWaalsContact O-N 3.11Å; A768-Q770 VanDerWaalsContact C-N 3.35Å
771	H	84.2	Confident	79.9	Confident	62 Å²	62	68.1 Å²	68.1	29%	0.287	34%	0.338	S	S	.	.	H	α-helix	trans	-109.7	1.5	-172.3	-62.4	-77.6	0	0	0	113.8	A719 L720 L767 A775	A719-H771 PolarHBondContact O-ND1 3.42Å; L720-H771 VanDerWaalsContact CD2-CE1 3.5Å; L720-H771 WeakPolarHBondContact CD2-CE1 3.44Å; L767-H771 PolarHBondContact O-N 3.47Å; H771-A775 HydrophobicContact CB-CB 4.33Å
772	G	78.3	Confident	78.4	Confident	37 Å²	37	69.1 Å²	69.1	38%	0.381	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	65.7	-143.4	174.8	0	0	0	0	0	113.7	A768 Q774 A775	A768-G772 VanDerWaalsContact O-CA 3.31Å; A768-G772 WeakPolarHBondContact O-CA 3.48Å; A768-G772 PolarHBondContact O-N 2.88Å; G772-Q774 VanDerWaalsContact C-N 3.26Å; G772-Q774 PolarHBondContact O-N 3.42Å; G772-A775 PolarHBondContact O-N 2.8Å
773	V	64.5	Low	76.6	Confident	119 Å²	119	74.2 Å²	74.2	72%	0.721	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-58.5	-32.5	-169	-178.4	0	0	0	0	113.1	A775 L776	V773-A775 PolarHBondContact O-N 3.27Å; V773-L776 HydrophobicContact CB-CD1 4.38Å; V773-L776 HydrophobicContact CG1-CD1 3.98Å; V773-L776 WeakPolarHBondContact O-CB 3.34Å; V773-L776 PolarHBondContact O-N 2.78Å
774	Q	69.2	Low	74.4	Confident	137 Å²	137	79.1 Å²	79.1	64%	0.64	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-59.1	-30.4	178.8	-70.6	-178	-5	0	0	112.5	G772 K777	G772-Q774 VanDerWaalsContact C-N 3.26Å; G772-Q774 PolarHBondContact O-N 3.42Å; Q774-K777 WeakPolarHBondContact O-CG 3.46Å
775	A	73.7	Confident	72.4	Confident	0 Å²	0	82.2 Å²	82.2	0%	0	41%	0.407	C	S	.	.	G	3₁₀ helix	trans	-85.9	-5.1	179.9	0	0	0	0	0	113.9	A768 H771 G772 V773 K777 Y778	A768-A775 HydrophobicContact CB-CB 4.27Å; H771-A775 HydrophobicContact CB-CB 4.33Å; G772-A775 PolarHBondContact O-N 2.8Å; V773-A775 PolarHBondContact O-N 3.27Å; A775-K777 PolarHBondContact O-N 2.88Å; A775-Y778 VanDerWaalsContact CA-CD2 3.47Å; A775-Y778 VanDerWaalsContact CA-CE2 3.48Å; A775-Y778 HydrophobicContact CB-CD2 3.62Å; A775-Y778 HydrophobicContact CB-CE2 3.58Å; A775-Y778 WeakPolarHBondContact O-CB 3.47Å; A775-Y778 WeakPolarHBondContact O-CD2 3.29Å; A775-Y778 PolarHBondContact O-N 2.95Å; A775-Y778 VanDerWaalsContact O-N 3.13Å
776	L	69.2	Low	70.1	Confident	89 Å²	89	83.4 Å²	83.4	47%	0.466	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-64.2	-25.2	173.7	-67.8	174.7	0	0	0	112.4	V773 Y778 L779	V773-L776 HydrophobicContact CB-CD1 4.38Å; V773-L776 HydrophobicContact CG1-CD1 3.98Å; V773-L776 WeakPolarHBondContact O-CB 3.34Å; V773-L776 PolarHBondContact O-N 2.78Å; L776-Y778 PolarHBondContact O-N 2.97Å; L776-Y778 VanDerWaalsContact O-N 3.16Å; L776-L779 HydrophobicContact CD2-CD1 3.84Å; L776-L779 WeakPolarHBondContact O-CB 3.38Å; L776-L779 PolarHBondContact O-N 2.97Å
777	K	80.9	Confident	67.6	Low	86 Å²	86	87 Å²	87	37%	0.374	44%	0.437	S	S	.	.	H	α-helix	trans	-57.3	-28.4	174.2	74.9	-174.1	-177.9	173.5	0	112.1	D718 Q774 A775 L779 Q780	D718-K777 IonicContact OD1-NZ 2.89Å; D718-K777 PolarHBondContact OD1-NZ 3.07Å; D718-K777 WeakPolarHBondContact OD2-CE 3.37Å; D718-K777 IonicContact OD2-NZ 3.03Å; D718-K777 PolarHBondContact OD2-NZ 2.83Å; Q774-K777 WeakPolarHBondContact O-CG 3.46Å; A775-K777 PolarHBondContact O-N 2.88Å; K777-L779 VanDerWaalsContact C-N 3.31Å; K777-L779 PolarHBondContact O-N 2.93Å; K777-Q780 PolarHBondContact O-N 3.1Å
778	Y	81.4	Confident	64.8	Low	1 Å²	1	95.9 Å²	95.9	0%	0.004	48%	0.484	C	S	.	.	H	α-helix	trans	-74.1	-18.2	177.8	-49.8	-47.5	0	0	0	113.7	W682 M715 D718 A719 L767 A775 L776 F781	W682-Y778 HydrophobicContact CD2-CE1 4.4Å; W682-Y778 HydrophobicContact CE3-CD1 4.49Å; W682-Y778 HydrophobicContact CE3-CE1 4.04Å; W682-Y778 AromaticContact CH2-CD1 3.44Å; W682-Y778 HydrophobicContact CH2-CD1 3.44Å; W682-Y778 VanDerWaalsContact CH2-CD1 3.44Å; W682-Y778 AromaticContact CH2-CE1 3.7Å; W682-Y778 HydrophobicContact CH2-CE1 3.7Å; W682-Y778 HydrophobicContact CZ2-CD1 4.07Å; W682-Y778 HydrophobicContact CZ2-CE1 4.05Å; W682-Y778 AromaticContact CZ3-CD1 3.68Å; W682-Y778 HydrophobicContact CZ3-CD1 3.68Å; W682-Y778 AromaticContact CZ3-CE1 3.68Å; W682-Y778 HydrophobicContact CZ3-CE1 3.68Å; M715-Y778 HydrophobicContact CE-CD1 4.06Å; M715-Y778 HydrophobicContact CE-CG 4.26Å; M715-Y778 HydrophobicContact CG-CD1 3.83Å; M715-Y778 HydrophobicContact CG-CD2 4.18Å; M715-Y778 HydrophobicContact CG-CE1 3.74Å; M715-Y778 HydrophobicContact CG-CE2 4.11Å; M715-Y778 HydrophobicContact CG-CG 4.06Å; M715-Y778 HydrophobicContact SD-CD1 4.06Å; M715-Y778 HydrophobicContact SD-CD2 4.19Å; M715-Y778 HydrophobicContact SD-CG 3.87Å; D718-Y778 VanDerWaalsContact OD2-CE1 3.25Å; D718-Y778 WeakPolarHBondContact OD2-CE1 3.4Å; D718-Y778 VanDerWaalsContact OD2-CZ 3.3Å; D718-Y778 PolarHBondContact OD2-OH 2.94Å; A719-Y778 VanDerWaalsContact CA-OH 3.23Å; A719-Y778 WeakPolarHBondContact CA-OH 3.29Å; A719-Y778 HydrophobicContact CB-CE2 3.94Å; A719-Y778 WeakPolarHBondContact CB-OH 3.43Å; A719-Y778 PolarHBondContact N-OH 3.39Å; L767-Y778 HydrophobicContact CD1-CE2 4.49Å; A775-Y778 VanDerWaalsContact CA-CD2 3.47Å; A775-Y778 VanDerWaalsContact CA-CE2 3.48Å; A775-Y778 HydrophobicContact CB-CD2 3.62Å; A775-Y778 HydrophobicContact CB-CE2 3.58Å; A775-Y778 WeakPolarHBondContact O-CB 3.47Å; A775-Y778 WeakPolarHBondContact O-CD2 3.29Å; A775-Y778 PolarHBondContact O-N 2.95Å; A775-Y778 VanDerWaalsContact O-N 3.13Å; L776-Y778 PolarHBondContact O-N 2.97Å; L776-Y778 VanDerWaalsContact O-N 3.16Å; Y778-F781 VanDerWaalsContact O-CB 3.3Å; Y778-F781 WeakPolarHBondContact O-CB 3.45Å
779	L	70.7	Confident	63.7	Low	81 Å²	81	99.7 Å²	99.7	42%	0.424	50%	0.5	S	S	.	.	H	α-helix	trans	-78.7	-26.2	175	-69.8	169.3	0	0	0	112	I764 L776 K777 F781 R782	I764-L779 HydrophobicContact CG2-CD2 3.69Å; I764-L779 HydrophobicContact CG2-CG 4.06Å; L776-L779 HydrophobicContact CD2-CD1 3.84Å; L776-L779 WeakPolarHBondContact O-CB 3.38Å; L776-L779 PolarHBondContact O-N 2.97Å; K777-L779 VanDerWaalsContact C-N 3.31Å; K777-L779 PolarHBondContact O-N 2.93Å; L779-F781 PolarHBondContact O-N 3.23Å; L779-R782 PolarHBondContact O-N 3.49Å
780	Q	66.7	Low	62.5	Low	135 Å²	135	94.9 Å²	94.9	63%	0.631	48%	0.483	S	S	*	.	H	α-helix	trans	-63.4	-32.2	175	-70	178.3	-20.4	0	0	111.7	K777 R782 K783	K777-Q780 PolarHBondContact O-N 3.1Å; Q780-R782 PolarHBondContact O-N 3.31Å; Q780-K783 PolarHBondContact O-N 3.46Å
781	F	60.6	Low	61.2	Low	35 Å²	35	92.8 Å²	92.8	15%	0.154	48%	0.475	C	S	.	.	H	α-helix	trans	-49.1	-31.1	175.9	175.8	-124	0	0	0	114.4	A684 D685 Y778 L779 S785	A684-F781 HydrophobicContact CB-CD2 3.18Å; A684-F781 HydrophobicContact CB-CE2 3.4Å; A684-F781 VanDerWaalsContact CB-CE2 3.4Å; A684-F781 HydrophobicContact CB-CG 4.22Å; D685-F781 VanDerWaalsContact OD1-CZ 3.26Å; D685-F781 WeakPolarHBondContact OD1-CZ 3.47Å; D685-F781 WeakPolarHBondContact OD2-CZ 3.46Å; Y778-F781 VanDerWaalsContact O-CB 3.3Å; Y778-F781 WeakPolarHBondContact O-CB 3.45Å; L779-F781 PolarHBondContact O-N 3.23Å; F781-S785 PolarHBondContact O-OG 3.3Å
782	R	56.9	Low	59.9	Low	70 Å²	70	94.6 Å²	94.6	26%	0.264	49%	0.486	S	S	.	.	H	α-helix	trans	-85	-21.8	178.9	-96.8	-162.8	171.2	-152.1	-0.2	115.4	D757 L761 L779 Q780 D784 Q786	D757-R782 PolarHBondContact O-NH2 3.05Å; L761-R782 VanDerWaalsContact CD2-CZ 3.41Å; L761-R782 VanDerWaalsContact CG-NH1 3.32Å; L779-R782 PolarHBondContact O-N 3.49Å; Q780-R782 PolarHBondContact O-N 3.31Å; R782-D784 VanDerWaalsContact C-N 3.27Å; R782-Q786 PolarHBondContact O-N 2.86Å
783	K	49.5	Very low	58.7	Low	153 Å²	153	98.2 Å²	98.2	67%	0.665	49%	0.492	S	S	*	.	H	α-helix	trans	-68.2	-34.7	176.8	-77.5	-172.6	173.3	-175.5	0	110.6	Q780 I787	Q780-K783 PolarHBondContact O-N 3.46Å; K783-I787 VanDerWaalsContact O-CD1 3.27Å; K783-I787 WeakPolarHBondContact O-CD1 3.45Å; K783-I787 VanDerWaalsContact O-CG1 3.23Å; K783-I787 WeakPolarHBondContact O-CG1 3.47Å
784	D	45	Very low	58.3	Low	110 Å²	110	96.8 Å²	96.8	59%	0.588	48%	0.477	S	S	*	.	H	α-helix	trans	-79.5	-20.6	-178	-59.2	-20.6	0	0	0	113.4	R782	R782-D784 VanDerWaalsContact C-N 3.27Å
785	S	46.8	Very low	57.6	Low	69 Å²	69	93.9 Å²	93.9	48%	0.483	47%	0.465	S	S	.	.	H	α-helix	trans	-94.3	-3.9	177	31.6	0	0	0	0	114.4	F781	F781-S785 PolarHBondContact O-OG 3.3Å
786	Q	39.5	Very low	56.3	Low	155 Å²	155	101.2 Å²	101.2	72%	0.724	50%	0.501	S	S	*	.	S	Bend	trans	-101.9	-7.2	167.8	-72.4	-170.1	-30.3	0	0	113.1	R782	R782-Q786 PolarHBondContact O-N 2.86Å
787	I	37.1	Very low	55.2	Low	136 Å²	136	102.2 Å²	102.2	70%	0.697	50%	0.504	S	S	*	.			trans	-99.6	-14.2	179.4	-66.6	171	0	0	0	111.8	K783	K783-I787 VanDerWaalsContact O-CD1 3.27Å; K783-I787 WeakPolarHBondContact O-CD1 3.45Å; K783-I787 VanDerWaalsContact O-CG1 3.23Å; K783-I787 WeakPolarHBondContact O-CG1 3.47Å
788	N	27.9	Very low	52.9	Low	195 Å²	195	103.6 Å²	103.6	100%	1.043	52%	0.516	S	S	*	.			trans	-111.9	0	169.2	-70.7	-34.6	0	0	0	110.2

Retrieved 788 of 788 residues in 915 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).