A0A077Z2B0_TRITR Loading...

Alpha:beta hydrolase fold protein

AlphaFold DB , UniProt , Accession A0A077Z2B0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 488 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.8	Very low	30	Very low	240 Å²	240	174.5 Å²	174.5	100%	1.182	88%	0.879	S	S	*	*				0	71	0	-153.3	174.6	-159.7	0	0	108.9
2	F	32.4	Very low	29.8	Very low	217 Å²	217	168.8 Å²	168.8	95%	0.952	87%	0.868	S	S	*	*			trans	-156.7	109.1	168.5	-91.5	-80	0	0	0	104.9	K4	F2-K4 PolarHBondContact O-N 3.24Å
3	R	27.1	Very low	29.8	Very low	258 Å²	258	167.8 Å²	167.8	97%	0.974	86%	0.863	S	S	*	*			trans	-73.8	118.4	179.9	-87	178	168.5	166.5	-4.5	109
4	K	30.1	Very low	29.6	Very low	209 Å²	209	167.6 Å²	167.6	91%	0.909	86%	0.861	S	S	*	*			trans	-73.3	114.8	155	-88.7	-177.9	172	-178.5	0	107.3	F2	F2-K4 PolarHBondContact O-N 3.24Å
5	A	29.1	Very low	29.5	Very low	92 Å²	92	161.1 Å²	161.1	76%	0.76	84%	0.842	S	S	*	*			trans	-79	117.1	166.8	0	0	0	0	0	108.4
6	V	27.9	Very low	29.3	Very low	129 Å²	129	159.8 Å²	159.8	78%	0.782	84%	0.837	S	S	*	*			trans	-66.7	126.4	160.5	174.8	0	0	0	0	106.6
7	V	31.8	Very low	29.1	Very low	132 Å²	132	155.5 Å²	155.5	80%	0.8	83%	0.829	S	S	*	*			trans	-110.1	120	166.3	177.5	0	0	0	0	106.2
8	N	29.8	Very low	29	Very low	138 Å²	138	156.6 Å²	156.6	74%	0.738	83%	0.834	S	S	*	*			trans	-58.9	127.2	-179.8	-69.6	-29.4	0	0	0	110.9	D10	N8-D10 PolarHBondContact O-N 3.25Å
9	E	29	Very low	29.2	Very low	184 Å²	184	156.1 Å²	156.1	86%	0.86	83%	0.826	S	S	*	*			trans	-75.9	102.4	154	-70.8	176	153.5	0	0	106.5
10	D	28.9	Very low	29.2	Very low	152 Å²	152	157.5 Å²	157.5	81%	0.813	82%	0.82	S	S	*	*			trans	-176.8	83.9	158.3	-90	-26.7	0	0	0	107.7	N8	N8-D10 PolarHBondContact O-N 3.25Å
11	D	31.6	Very low	29.8	Very low	168 Å²	168	154.9 Å²	154.9	90%	0.898	81%	0.813	S	S	*	*			trans	-152.7	90.4	148.2	-102.5	-23.5	0	0	0	108.7	I13	D11-I13 PolarHBondContact O-N 2.85Å
12	S	27.3	Very low	30.2	Very low	107 Å²	107	148.5 Å²	148.5	75%	0.748	78%	0.784	S	S	*	*			trans	-54.5	113	167.1	50.2	0	0	0	0	112.8
13	I	29.2	Very low	30.4	Very low	156 Å²	156	142.8 Å²	142.8	80%	0.8	76%	0.762	S	S	*	*			trans	-142.7	74.7	136.9	-52.9	-177	0	0	0	108.1	D11 A15	D11-I13 PolarHBondContact O-N 2.85Å; I13-A15 VanDerWaalsContact C-N 3.31Å; I13-A15 HydrophobicContact CG2-CB 3.93Å; I13-A15 PolarHBondContact O-N 2.83Å
14	I	27.1	Very low	31.8	Very low	164 Å²	164	136.9 Å²	136.9	84%	0.841	74%	0.74	S	S	*	*			trans	-80.8	89.9	149.5	-61.7	176.1	0	0	0	105.2
15	A	28	Very low	33.3	Very low	70 Å²	70	133.1 Å²	133.1	58%	0.579	72%	0.724	S	S	*	*			trans	-115.2	96.7	157.6	0	0	0	0	0	105.5	I13	I13-A15 VanDerWaalsContact C-N 3.31Å; I13-A15 HydrophobicContact CG2-CB 3.93Å; I13-A15 PolarHBondContact O-N 2.83Å
16	N	26.8	Very low	34.9	Very low	141 Å²	141	136.6 Å²	136.6	75%	0.754	72%	0.717	S	S	*	*				61.2	93.9	106.1	-67.7	-27.5	0	0	0	111.5
17	A	26.9	Very low	36.9	Very low	86 Å²	86	134.1 Å²	134.1	71%	0.711	70%	0.7	S	S	*	*				69.2	113	84.8	0	0	0	0	0	112.4
18	L	27	Very low	39.1	Very low	175 Å²	175	128.5 Å²	128.5	92%	0.916	67%	0.665	S	S	*	*			trans	76.3	55.7	163.2	-65.1	145.6	0	0	0	118.4
19	E	31.4	Very low	41.5	Very low	147 Å²	147	123.7 Å²	123.7	69%	0.687	64%	0.639	S	S	*	*			trans	-86.6	123.9	154.9	-80.7	-173.3	162.5	0	0	110.8	R24	E19-R24 IonicContact OE2-CZ 2.71Å; E19-R24 IonicContact OE2-NE 3.02Å; E19-R24 IonicContact OE2-NH2 3.8Å; E19-R24 PolarHBondContact OE2-NH2 3.48Å
20	R	30.4	Very low	44.1	Very low	185 Å²	185	120 Å²	120	70%	0.698	62%	0.622	S	S	*	*			trans	-62.8	124.3	-173.6	-64.9	177	179.7	166.8	-0.9	111.4	D22 L23	R20-D22 PolarHBondContact O-N 2.7Å; R20-L23 HydrophobicContact CB-CD1 4.26Å; R20-L23 PolarHBondContact O-N 3.22Å; R20-L23 VanDerWaalsContact O-N 3.13Å
21	P	42.1	Very low	46.7	Very low	102 Å²	102	114 Å²	114	66%	0.662	59%	0.591	S	S	*	*	H	α-helix	trans	-57.8	-23.4	179.1	20.4	-30.9	0	0	0	113.8	L23 R24 K25	P21-L23 PolarHBondContact O-N 3.08Å; P21-R24 PolarHBondContact O-N 3.14Å; P21-K25 PolarHBondContact O-N 2.71Å
22	D	40.1	Very low	49.3	Very low	107 Å²	107	107 Å²	107	57%	0.572	55%	0.552	S	S	*	*	H	α-helix	trans	-66.7	-33.6	178.6	-60.1	-43.6	0	0	0	113.8	R20 K25 R26	R20-D22 PolarHBondContact O-N 2.7Å; D22-K25 PolarHBondContact O-N 3.08Å; D22-R26 PolarHBondContact O-N 3.07Å
23	L	37.5	Very low	52.1	Low	97 Å²	97	106.9 Å²	106.9	51%	0.508	54%	0.543	S	S	.	.	H	α-helix	trans	-67.2	-44.3	178.8	-75.1	161.9	0	0	0	110.5	R20 P21 K25 R26 D27	R20-L23 HydrophobicContact CB-CD1 4.26Å; R20-L23 PolarHBondContact O-N 3.22Å; R20-L23 VanDerWaalsContact O-N 3.13Å; P21-L23 PolarHBondContact O-N 3.08Å; L23-K25 VanDerWaalsContact C-N 3.27Å; L23-K25 PolarHBondContact O-N 3.16Å; L23-R26 WeakPolarHBondContact O-CB 3.28Å; L23-R26 PolarHBondContact O-N 3.2Å; L23-R26 VanDerWaalsContact O-N 3.13Å; L23-D27 PolarHBondContact O-N 3.27Å; L23-D27 VanDerWaalsContact O-N 3.07Å
24	R	56.2	Low	55	Low	133 Å²	133	104.8 Å²	104.8	50%	0.502	53%	0.53	S	S	.	.	H	α-helix	trans	-63.8	-31.7	177.3	-64.8	-172.5	-172.7	-178.2	1.9	113	E19 P21 M28 T112	E19-R24 IonicContact OE2-CZ 2.71Å; E19-R24 IonicContact OE2-NE 3.02Å; E19-R24 IonicContact OE2-NH2 3.8Å; E19-R24 PolarHBondContact OE2-NH2 3.48Å; P21-R24 PolarHBondContact O-N 3.14Å; R24-M28 WeakPolarHBondContact O-CB 3.31Å; R24-M28 PolarHBondContact O-N 3.07Å; R24-T112 HydrophobicContact CB-CG2 4.17Å
25	K	61.7	Low	57.9	Low	130 Å²	130	97.2 Å²	97.2	57%	0.565	49%	0.491	S	S	*	.	H	α-helix	trans	-71.1	-35.6	176.4	-165.2	177.6	-177.8	-179	0	111.8	P21 D22 L23 M28 N29	P21-K25 PolarHBondContact O-N 2.71Å; D22-K25 PolarHBondContact O-N 3.08Å; L23-K25 VanDerWaalsContact C-N 3.27Å; L23-K25 PolarHBondContact O-N 3.16Å; K25-M28 HydrophobicContact CG-CE 4.49Å; K25-N29 WeakPolarHBondContact O-CB 3.43Å; K25-N29 PolarHBondContact O-N 2.88Å; K25-N29 PolarHBondContact O-ND2 2.95Å
26	R	61.9	Low	60.9	Low	165 Å²	165	95.7 Å²	95.7	62%	0.623	47%	0.474	S	S	*	.	H	α-helix	trans	-65.2	-50.1	173.3	-70.1	-179.2	-173.4	-177.1	1	110.9	D22 L23 M28 N29 E30	D22-R26 PolarHBondContact O-N 3.07Å; L23-R26 WeakPolarHBondContact O-CB 3.28Å; L23-R26 PolarHBondContact O-N 3.2Å; L23-R26 VanDerWaalsContact O-N 3.13Å; R26-M28 VanDerWaalsContact C-N 3.29Å; R26-M28 PolarHBondContact O-N 3.13Å; R26-N29 WeakPolarHBondContact O-CB 3.28Å; R26-N29 PolarHBondContact O-N 3.44Å; R26-E30 WeakPolarHBondContact O-CG 3.47Å; R26-E30 PolarHBondContact O-N 3.41Å
27	D	71.5	Confident	63.9	Low	78 Å²	78	91.1 Å²	91.1	42%	0.417	45%	0.453	S	S	.	.	H	α-helix	trans	-58.6	-41.3	178.2	-60.2	-18.7	0	0	0	112	L23 E30 V31	L23-D27 PolarHBondContact O-N 3.27Å; L23-D27 VanDerWaalsContact O-N 3.07Å; D27-E30 PolarHBondContact O-N 3.29Å; D27-V31 VanDerWaalsContact O-CG2 3.28Å; D27-V31 WeakPolarHBondContact O-CG2 3.36Å; D27-V31 PolarHBondContact O-N 3.11Å
28	M	77.1	Confident	66.9	Low	14 Å²	14	87.1 Å²	87.1	7%	0.069	42%	0.419	C	S	.	.	H	α-helix	trans	-63.4	-44.8	175.9	-178.2	-154.6	72.3	0	0	111.8	R24 K25 R26 E30 V31 W32 N92 L94	R24-M28 WeakPolarHBondContact O-CB 3.31Å; R24-M28 PolarHBondContact O-N 3.07Å; K25-M28 HydrophobicContact CG-CE 4.49Å; R26-M28 VanDerWaalsContact C-N 3.29Å; R26-M28 PolarHBondContact O-N 3.13Å; M28-E30 VanDerWaalsContact C-N 3.34Å; M28-V31 PolarHBondContact O-N 3.02Å; M28-W32 WeakPolarHBondContact O-CB 3.29Å; M28-W32 PolarHBondContact O-N 3.3Å; M28-N92 VanDerWaalsContact SD-C 3.55Å; M28-N92 VanDerWaalsContact SD-O 3.4Å; M28-L94 HydrophobicContact CG-CD1 3.67Å; M28-L94 HydrophobicContact CG-CG 3.72Å; M28-L94 HydrophobicContact SD-CG 4.45Å
29	N	80.9	Confident	69.8	Low	37 Å²	37	82.7 Å²	82.7	20%	0.198	40%	0.403	C	S	.	.	H	α-helix	trans	-62.6	-43	178.1	-78.1	-21.8	0	0	0	111	K25 R26 W32 D33 R90	K25-N29 WeakPolarHBondContact O-CB 3.43Å; K25-N29 PolarHBondContact O-N 2.88Å; K25-N29 PolarHBondContact O-ND2 2.95Å; R26-N29 WeakPolarHBondContact O-CB 3.28Å; R26-N29 PolarHBondContact O-N 3.44Å; N29-W32 PolarHBondContact O-N 2.72Å; N29-D33 VanDerWaalsContact O-CB 3.28Å; N29-D33 WeakPolarHBondContact O-CB 3.37Å; N29-D33 PolarHBondContact O-N 3.32Å; N29-R90 VanDerWaalsContact CB-NH2 3.28Å; N29-R90 VanDerWaalsContact CG-NH2 3.35Å; N29-R90 VanDerWaalsContact OD1-CZ 3.3Å; N29-R90 PolarHBondContact OD1-NE 2.81Å; N29-R90 VanDerWaalsContact OD1-NE 3.11Å; N29-R90 PolarHBondContact OD1-NH2 2.81Å
30	E	82.9	Confident	72.4	Confident	106 Å²	106	82 Å²	82	50%	0.495	40%	0.399	S	S	.	.	H	α-helix	trans	-61.2	-47.4	175.9	-72.5	175.5	-166.1	0	0	111.9	R26 D27 M28 W32 D33 Q34	R26-E30 WeakPolarHBondContact O-CG 3.47Å; R26-E30 PolarHBondContact O-N 3.41Å; D27-E30 PolarHBondContact O-N 3.29Å; M28-E30 VanDerWaalsContact C-N 3.34Å; E30-W32 VanDerWaalsContact C-N 3.31Å; E30-W32 PolarHBondContact O-N 3.42Å; E30-D33 PolarHBondContact O-N 2.91Å; E30-Q34 WeakPolarHBondContact O-CB 3.3Å; E30-Q34 VanDerWaalsContact O-CG 3.24Å; E30-Q34 WeakPolarHBondContact O-CG 3.38Å; E30-Q34 PolarHBondContact O-N 3.26Å
31	V	82.7	Confident	75.1	Confident	27 Å²	27	73.7 Å²	73.7	16%	0.164	37%	0.368	C	S	.	.	H	α-helix	trans	-61.4	-40.6	176.4	172.4	0	0	0	0	111.3	D27 M28 S35 I78 L94 I96	D27-V31 VanDerWaalsContact O-CG2 3.28Å; D27-V31 WeakPolarHBondContact O-CG2 3.36Å; D27-V31 PolarHBondContact O-N 3.11Å; M28-V31 PolarHBondContact O-N 3.02Å; V31-S35 WeakPolarHBondContact O-CB 3.46Å; V31-S35 PolarHBondContact O-N 2.92Å; V31-I78 HydrophobicContact CG1-CD1 3.99Å; V31-L94 HydrophobicContact CB-CD1 4.44Å; V31-L94 HydrophobicContact CG1-CD1 4.2Å; V31-I96 HydrophobicContact CG1-CD1 3.81Å
32	W	86.3	Confident	77.3	Confident	21 Å²	21	72.1 Å²	72.1	8%	0.08	36%	0.36	C	S	.	.	H	α-helix	trans	-67.3	-40.7	176.6	-175.3	-102	0	0	0	112.7	M28 N29 E30 Q34 S35 N67 R69 I78 P80 P91 L94	M28-W32 WeakPolarHBondContact O-CB 3.29Å; M28-W32 PolarHBondContact O-N 3.3Å; N29-W32 PolarHBondContact O-N 2.72Å; E30-W32 VanDerWaalsContact C-N 3.31Å; E30-W32 PolarHBondContact O-N 3.42Å; W32-Q34 VanDerWaalsContact C-N 3.34Å; W32-S35 WeakPolarHBondContact O-CB 3.44Å; W32-S35 PolarHBondContact O-N 3.4Å; W32-S35 PolarHBondContact O-OG 3.04Å; W32-N67 WeakPolarHBondContact CH2-ND2 3.49Å; W32-N67 WeakPolarHBondContact CZ2-ND2 3.45Å; W32-R69 HydrophobicContact CH2-CG 3.92Å; W32-R69 HydrophobicContact CZ3-CB 4.45Å; W32-R69 HydrophobicContact CZ3-CG 4.11Å; W32-R69 PolarHBondContact O-NH1 3.4Å; W32-R69 VanDerWaalsContact O-NH1 3.14Å; W32-I78 HydrophobicContact CE3-CG2 4.25Å; W32-I78 HydrophobicContact CZ3-CG2 4.15Å; W32-P80 HydrophobicContact CH2-CB 3.85Å; W32-P80 HydrophobicContact CH2-CG 4.03Å; W32-P80 HydrophobicContact CZ3-CB 3.84Å; W32-P80 HydrophobicContact CZ3-CG 4.24Å; W32-P91 HydrophobicContact CD2-CG 3.59Å; W32-P91 HydrophobicContact CE3-CG 3.88Å; W32-P91 HydrophobicContact CG-CG 4.12Å; W32-P91 HydrophobicContact CH2-CG 4.07Å; W32-P91 HydrophobicContact CZ2-CG 3.83Å; W32-P91 HydrophobicContact CZ3-CG 4.1Å; W32-L94 HydrophobicContact CB-CD1 4.2Å; W32-L94 HydrophobicContact CD2-CD2 4.25Å; W32-L94 HydrophobicContact CE3-CD1 4.37Å; W32-L94 HydrophobicContact CE3-CD2 3.4Å; W32-L94 HydrophobicContact CZ3-CD2 3.83Å
33	D	87.7	Confident	79.5	Confident	104 Å²	104	72 Å²	72	56%	0.556	36%	0.356	S	S	*	.	H	α-helix	trans	-71.7	-32.1	-178.4	-66.7	-18.4	0	0	0	111.1	N29 E30 R90	N29-D33 VanDerWaalsContact O-CB 3.28Å; N29-D33 WeakPolarHBondContact O-CB 3.37Å; N29-D33 PolarHBondContact O-N 3.32Å; E30-D33 PolarHBondContact O-N 2.91Å; D33-R90 IonicContact OD1-CZ 3.7Å; D33-R90 IonicContact OD1-NH2 2.85Å; D33-R90 PolarHBondContact OD1-NH2 2.96Å; D33-R90 IonicContact OD2-CZ 3.91Å; D33-R90 IonicContact OD2-NH2 2.83Å; D33-R90 PolarHBondContact OD2-NH2 3Å
34	Q	88.4	Confident	81.9	Confident	112 Å²	112	72.2 Å²	72.2	52%	0.523	36%	0.363	S	S	.	.	H	α-helix	trans	-80.5	-16.9	173.2	-67.9	173.7	16.2	0	0	114.1	E30 W32	E30-Q34 WeakPolarHBondContact O-CB 3.3Å; E30-Q34 VanDerWaalsContact O-CG 3.24Å; E30-Q34 WeakPolarHBondContact O-CG 3.38Å; E30-Q34 PolarHBondContact O-N 3.26Å; W32-Q34 VanDerWaalsContact C-N 3.34Å
35	S	89.2	Confident	83.4	Confident	4 Å²	4	68.4 Å²	68.4	3%	0.028	35%	0.35	C	S	.	.			trans	-66.6	154.2	-179.1	71.5	0	0	0	0	111.8	V31 W32 R69 A70	V31-S35 WeakPolarHBondContact O-CB 3.46Å; V31-S35 PolarHBondContact O-N 2.92Å; W32-S35 WeakPolarHBondContact O-CB 3.44Å; W32-S35 PolarHBondContact O-N 3.4Å; W32-S35 PolarHBondContact O-OG 3.04Å; S35-R69 PolarHBondContact O-NH2 3.49Å; S35-R69 VanDerWaalsContact OG-CD 3.28Å; S35-R69 WeakPolarHBondContact OG-CD 3.47Å; S35-R69 PolarHBondContact OG-NE 2.87Å; S35-R69 PolarHBondContact OG-NH1 2.96Å; S35-A70 WeakPolarHBondContact CA-O 3.44Å; S35-A70 WeakPolarHBondContact CB-O 3.38Å
36	V	90.6	Very high	84.7	Confident	39 Å²	39	62.3 Å²	62.3	24%	0.236	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	147.9	179.7	-62.2	0	0	0	0	111.1	H40 R69 A70 L74	V36-H40 HydrophobicContact CB-CB 4.39Å; V36-H40 HydrophobicContact CG2-CB 4.49Å; V36-R69 CarbonylContact O-C 3.54Å; V36-R69 WeakPolarHBondContact O-CA 3.39Å; V36-R69 WeakPolarHBondContact O-CB 3.49Å; V36-A70 HydrophobicContact CG2-CB 3.91Å; V36-A70 PolarHBondContact N-O 3.1Å; V36-A70 PolarHBondContact O-N 3.05Å; V36-L74 HydrophobicContact CG2-CD2 3.51Å
37	P	90	Very high	86	Confident	45 Å²	45	57.1 Å²	57.1	29%	0.292	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.1	143.1	171.1	-25.4	35.3	0	0	0	111.2	S39 H40	P37-S39 WeakPolarHBondContact CB-OG 3.42Å; P37-S39 PolarHBondContact O-N 2.86Å; P37-H40 WeakPolarHBondContact O-CB 3.24Å; P37-H40 PolarHBondContact O-N 3.02Å
38	V	90.2	Very high	86.7	Confident	1 Å²	1	60 Å²	60	1%	0.006	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-59.2	-22.4	178.4	-72.5	0	0	0	0	113	H40 M41 L46 L63 N64 V68 L77	V38-H40 PolarHBondContact O-N 3.02Å; V38-M41 PolarHBondContact O-N 2.62Å; V38-L46 HydrophobicContact CB-CD1 4.43Å; V38-L63 HydrophobicContact CG2-CB 4.12Å; V38-N64 WeakPolarHBondContact CG2-OD1 3.29Å; V38-V68 HydrophobicContact CG1-CG1 4.25Å; V38-V68 WeakPolarHBondContact CG1-O 3.47Å; V38-L77 HydrophobicContact CG1-CD2 3.91Å
39	S	86.5	Confident	87.1	Confident	82 Å²	82	59.4 Å²	59.4	57%	0.573	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-66.5	-17.9	173.6	53.9	0	0	0	0	114.6	P37	P37-S39 WeakPolarHBondContact CB-OG 3.42Å; P37-S39 PolarHBondContact O-N 2.86Å
40	H	87.2	Confident	87.5	Confident	133 Å²	133	58.7 Å²	58.7	62%	0.616	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-87.6	-9.4	177.2	-69.1	-167	0	0	0	112.8	V36 P37 V38	V36-H40 HydrophobicContact CB-CB 4.39Å; V36-H40 HydrophobicContact CG2-CB 4.49Å; P37-H40 WeakPolarHBondContact O-CB 3.24Å; P37-H40 PolarHBondContact O-N 3.02Å; V38-H40 PolarHBondContact O-N 3.02Å
41	M	86.3	Confident	87.6	Confident	10 Å²	10	59.5 Å²	59.5	5%	0.049	31%	0.312	C	S	.	.	S	Bend	trans	-83.8	147.5	177	-176.8	165.7	44.8	0	0	110.7	V38 K45 L46 L49 A70 L74 L77	V38-M41 PolarHBondContact O-N 2.62Å; M41-K45 HydrophobicContact CG-CB 3.94Å; M41-K45 HydrophobicContact CG-CD 4.27Å; M41-K45 HydrophobicContact CG-CG 4.29Å; M41-K45 HydrophobicContact SD-CB 4.08Å; M41-K45 HydrophobicContact SD-CD 4.1Å; M41-K45 HydrophobicContact SD-CG 3.92Å; M41-L46 HydrophobicContact CE-CB 3.64Å; M41-L46 HydrophobicContact CE-CD1 3.35Å; M41-L46 HydrophobicContact CE-CG 4.01Å; M41-L46 HydrophobicContact CG-CB 4.46Å; M41-L49 HydrophobicContact CE-CD1 3.88Å; M41-L49 HydrophobicContact SD-CD1 3.67Å; M41-A70 HydrophobicContact CE-CB 4.33Å; M41-L74 HydrophobicContact CB-CD2 4.33Å; M41-L77 HydrophobicContact CE-CD2 3.99Å
42	S	88	Confident	87.6	Confident	70 Å²	70	61.5 Å²	61.5	49%	0.49	32%	0.321	S	S	.	.			trans	-63.9	138.6	175.6	70.3	0	0	0	0	111.2	P44 K45 L46	S42-P44 VanDerWaalsContact C-CD 3.41Å; S42-P44 VanDerWaalsContact C-N 3.31Å; S42-K45 PolarHBondContact O-N 3.31Å; S42-K45 WeakPolarHBondContact OG-CB 3.36Å; S42-L46 PolarHBondContact O-N 2.75Å
43	Q	87.1	Confident	87.4	Confident	104 Å²	104	61.5 Å²	61.5	49%	0.486	32%	0.323	S	S	.	.	H	α-helix	trans	-54.4	-39.3	-177.9	-163.5	64.3	17.2	0	0	113.9	K45 T47 D60	Q43-K45 PolarHBondContact O-N 3.13Å; Q43-T47 VanDerWaalsContact O-CB 3.29Å; Q43-T47 WeakPolarHBondContact O-CB 3.28Å; Q43-T47 PolarHBondContact O-N 3.29Å; Q43-T47 PolarHBondContact O-OG1 2.98Å; Q43-D60 PolarHBondContact NE2-OD2 3.05Å
44	P	88.8	Confident	87.1	Confident	101 Å²	101	64.4 Å²	64.4	66%	0.656	33%	0.327	S	S	*	.	H	α-helix	trans	-62	-41	175.5	-24.2	35.7	0	0	0	112.9	S42 T47 R48	S42-P44 VanDerWaalsContact C-CD 3.41Å; S42-P44 VanDerWaalsContact C-N 3.31Å; P44-T47 PolarHBondContact O-N 3.24Å; P44-R48 WeakPolarHBondContact O-CB 3.44Å; P44-R48 PolarHBondContact O-N 3.13Å
45	K	86.9	Confident	87	Confident	53 Å²	53	59.2 Å²	59.2	23%	0.23	30%	0.303	C	S	.	.	H	α-helix	trans	-70.3	-43.9	-179.7	-161.5	176.2	-163.2	-173.3	0	111.3	M41 S42 Q43 T47 R48 L49 S73 L74 D75	M41-K45 HydrophobicContact CG-CB 3.94Å; M41-K45 HydrophobicContact CG-CD 4.27Å; M41-K45 HydrophobicContact CG-CG 4.29Å; M41-K45 HydrophobicContact SD-CB 4.08Å; M41-K45 HydrophobicContact SD-CD 4.1Å; M41-K45 HydrophobicContact SD-CG 3.92Å; S42-K45 PolarHBondContact O-N 3.31Å; S42-K45 WeakPolarHBondContact OG-CB 3.36Å; Q43-K45 PolarHBondContact O-N 3.13Å; K45-T47 VanDerWaalsContact C-N 3.33Å; K45-T47 PolarHBondContact O-N 3.19Å; K45-R48 PolarHBondContact O-N 3.04Å; K45-L49 PolarHBondContact O-N 2.95Å; K45-S73 PolarHBondContact NZ-O 3.01Å; K45-L74 HydrophobicContact CD-CB 4.05Å; K45-L74 VanDerWaalsContact CD-O 3.23Å; K45-L74 WeakPolarHBondContact CD-O 3.48Å; K45-L74 WeakPolarHBondContact CE-O 3.33Å; K45-L74 VanDerWaalsContact NZ-CB 3.34Å; K45-L74 PolarHBondContact NZ-O 3.24Å; K45-D75 WeakPolarHBondContact CE-OD1 3.28Å; K45-D75 IonicContact NZ-OD1 2.59Å; K45-D75 PolarHBondContact NZ-OD1 3.31Å
46	L	88.4	Confident	86.7	Confident	3 Å²	3	66.1 Å²	66.1	2%	0.016	33%	0.328	C	S	.	.	H	α-helix	trans	-59.1	-44.4	173.7	-177.2	54.2	0	0	0	111.7	V38 M41 S42 R48 L49 K50 L63	V38-L46 HydrophobicContact CB-CD1 4.43Å; M41-L46 HydrophobicContact CE-CB 3.64Å; M41-L46 HydrophobicContact CE-CD1 3.35Å; M41-L46 HydrophobicContact CE-CG 4.01Å; M41-L46 HydrophobicContact CG-CB 4.46Å; S42-L46 PolarHBondContact O-N 2.75Å; L46-R48 VanDerWaalsContact C-N 3.32Å; L46-R48 PolarHBondContact O-N 3.09Å; L46-L49 PolarHBondContact O-N 3.47Å; L46-K50 HydrophobicContact CD1-CD 3.94Å; L46-K50 HydrophobicContact CD1-CG 4.13Å; L46-K50 HydrophobicContact CG-CD 3.82Å; L46-K50 HydrophobicContact CG-CG 4.44Å; L46-K50 WeakPolarHBondContact O-CB 3.04Å; L46-K50 VanDerWaalsContact O-CG 3.22Å; L46-K50 WeakPolarHBondContact O-CG 3.31Å; L46-K50 PolarHBondContact O-N 2.94Å; L46-L63 HydrophobicContact CD1-CD1 4.14Å
47	T	88.6	Confident	86.4	Confident	56 Å²	56	69 Å²	69	34%	0.344	34%	0.339	S	S	.	.	H	α-helix	trans	-61.9	-41.5	179.2	-59.4	0	0	0	0	111.3	Q43 P44 K45 K50 Q51	Q43-T47 VanDerWaalsContact O-CB 3.29Å; Q43-T47 WeakPolarHBondContact O-CB 3.28Å; Q43-T47 PolarHBondContact O-N 3.29Å; Q43-T47 PolarHBondContact O-OG1 2.98Å; P44-T47 PolarHBondContact O-N 3.24Å; K45-T47 VanDerWaalsContact C-N 3.33Å; K45-T47 PolarHBondContact O-N 3.19Å; T47-K50 PolarHBondContact O-N 2.8Å; T47-Q51 WeakPolarHBondContact O-CG 3.22Å; T47-Q51 PolarHBondContact O-N 3.01Å
48	R	87.3	Confident	86.4	Confident	138 Å²	138	67.2 Å²	67.2	52%	0.521	33%	0.327	S	S	.	.	H	α-helix	trans	-63.8	-49.4	176.5	-179	169.5	172.3	150.1	-3.5	112.3	P44 K45 L46 K50 Q51 L52 E99	P44-R48 WeakPolarHBondContact O-CB 3.44Å; P44-R48 PolarHBondContact O-N 3.13Å; K45-R48 PolarHBondContact O-N 3.04Å; L46-R48 VanDerWaalsContact C-N 3.32Å; L46-R48 PolarHBondContact O-N 3.09Å; R48-K50 VanDerWaalsContact C-N 3.32Å; R48-K50 PolarHBondContact O-N 3.06Å; R48-Q51 WeakPolarHBondContact O-CB 3.33Å; R48-Q51 PolarHBondContact O-N 3.34Å; R48-Q51 VanDerWaalsContact O-N 3.1Å; R48-L52 HydrophobicContact CG-CD1 4.29Å; R48-L52 WeakPolarHBondContact O-CG 3.28Å; R48-L52 PolarHBondContact O-N 3.25Å; R48-E99 IonicContact CZ-OE1 3.25Å; R48-E99 IonicContact NE-OE1 2.82Å; R48-E99 PolarHBondContact NE-OE1 3.43Å; R48-E99 IonicContact NE-OE2 3.07Å; R48-E99 IonicContact NH2-OE1 2.58Å; R48-E99 PolarHBondContact NH2-OE1 3.34Å
49	L	86.1	Confident	86.4	Confident	2 Å²	2	70.4 Å²	70.4	1%	0.01	35%	0.346	C	S	.	.	H	α-helix	trans	-60.1	-41.6	175.3	-72.8	173.4	0	0	0	111.8	M41 K45 L46 Q51 L52 L53 L77 E99	M41-L49 HydrophobicContact CE-CD1 3.88Å; M41-L49 HydrophobicContact SD-CD1 3.67Å; K45-L49 PolarHBondContact O-N 2.95Å; L46-L49 PolarHBondContact O-N 3.47Å; L49-Q51 VanDerWaalsContact C-N 3.29Å; L49-Q51 PolarHBondContact O-N 3.06Å; L49-L52 PolarHBondContact O-N 3.23Å; L49-L53 WeakPolarHBondContact O-CB 3.38Å; L49-L53 VanDerWaalsContact O-CG 3.26Å; L49-L53 WeakPolarHBondContact O-CG 3.46Å; L49-L53 PolarHBondContact O-N 3Å; L49-L77 HydrophobicContact CB-CG 4.48Å; L49-L77 HydrophobicContact CD1-CD2 4.28Å; L49-L77 HydrophobicContact CD1-CG 4.36Å; L49-E99 HydrophobicContact CD2-CB 3.84Å
50	K	88.8	Confident	86.6	Confident	21 Å²	21	68.8 Å²	68.8	9%	0.091	33%	0.331	C	S	.	.	H	α-helix	trans	-61.7	-36.7	175.3	-73.7	168.5	72.8	174.4	0	112.2	L46 T47 R48 Y54 L55 R56 I58 D60 L63	L46-K50 HydrophobicContact CD1-CD 3.94Å; L46-K50 HydrophobicContact CD1-CG 4.13Å; L46-K50 HydrophobicContact CG-CD 3.82Å; L46-K50 HydrophobicContact CG-CG 4.44Å; L46-K50 WeakPolarHBondContact O-CB 3.04Å; L46-K50 VanDerWaalsContact O-CG 3.22Å; L46-K50 WeakPolarHBondContact O-CG 3.31Å; L46-K50 PolarHBondContact O-N 2.94Å; T47-K50 PolarHBondContact O-N 2.8Å; R48-K50 VanDerWaalsContact C-N 3.32Å; R48-K50 PolarHBondContact O-N 3.06Å; K50-Y54 CarbonylContact O-C 3.55Å; K50-Y54 PolarHBondContact O-N 3.29Å; K50-L55 HydrophobicContact CB-CB 4.13Å; K50-L55 WeakPolarHBondContact CE-O 3.49Å; K50-L55 HydrophobicContact CG-CB 4.17Å; K50-L55 CarbonylContact O-C 3.55Å; K50-L55 WeakPolarHBondContact O-CA 3.46Å; K50-L55 PolarHBondContact O-N 3.28Å; K50-R56 PolarHBondContact O-N 3.46Å; K50-R56 VanDerWaalsContact O-N 3.14Å; K50-I58 WeakPolarHBondContact CE-O 3.42Å; K50-I58 PolarHBondContact NZ-O 3.49Å; K50-D60 IonicContact NZ-OD1 3.94Å; K50-D60 PolarHBondContact NZ-OD1 3.3Å; K50-L63 HydrophobicContact CD-CD1 4.11Å; K50-L63 HydrophobicContact CG-CD1 4.43Å
51	Q	85.2	Confident	86.8	Confident	124 Å²	124	64.6 Å²	64.6	58%	0.579	32%	0.324	S	S	*	.	H	α-helix	trans	-67.4	-45.7	175.1	-73.8	173.4	-0.1	0	0	111.7	T47 R48 L49 L53 Y54	T47-Q51 WeakPolarHBondContact O-CG 3.22Å; T47-Q51 PolarHBondContact O-N 3.01Å; R48-Q51 WeakPolarHBondContact O-CB 3.33Å; R48-Q51 PolarHBondContact O-N 3.34Å; R48-Q51 VanDerWaalsContact O-N 3.1Å; L49-Q51 VanDerWaalsContact C-N 3.29Å; L49-Q51 PolarHBondContact O-N 3.06Å; Q51-L53 VanDerWaalsContact C-N 3.34Å; Q51-L53 PolarHBondContact O-N 3.47Å; Q51-Y54 PolarHBondContact O-N 2.95Å
52	L	83.1	Confident	87.1	Confident	69 Å²	69	64.4 Å²	64.4	36%	0.361	32%	0.324	S	S	.	.	H	α-helix	trans	-65	-36	-179.7	-68.6	172.1	0	0	0	113	R48 L49 Y54 E99 L106	R48-L52 HydrophobicContact CG-CD1 4.29Å; R48-L52 WeakPolarHBondContact O-CG 3.28Å; R48-L52 PolarHBondContact O-N 3.25Å; L49-L52 PolarHBondContact O-N 3.23Å; L52-Y54 VanDerWaalsContact C-N 3.29Å; L52-Y54 PolarHBondContact O-N 3.45Å; L52-E99 HydrophobicContact CD1-CB 4.28Å; L52-E99 HydrophobicContact CD1-CG 3.6Å; L52-E99 VanDerWaalsContact CD1-OE1 3.28Å; L52-E99 WeakPolarHBondContact CD1-OE1 3.35Å; L52-L106 HydrophobicContact CB-CD1 4.45Å; L52-L106 WeakPolarHBondContact O-CD1 3.42Å
53	L	80.7	Confident	87.4	Confident	21 Å²	21	61.1 Å²	61.1	11%	0.11	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	10.9	-179.4	-60	173.5	0	0	0	113.4	L49 Q51 L55 L77 F79 L106	L49-L53 WeakPolarHBondContact O-CB 3.38Å; L49-L53 VanDerWaalsContact O-CG 3.26Å; L49-L53 WeakPolarHBondContact O-CG 3.46Å; L49-L53 PolarHBondContact O-N 3Å; Q51-L53 VanDerWaalsContact C-N 3.34Å; Q51-L53 PolarHBondContact O-N 3.47Å; L53-L55 HydrophobicContact CB-CD1 4.08Å; L53-L55 HydrophobicContact CB-CG 4Å; L53-L55 PolarHBondContact O-N 3.34Å; L53-L55 VanDerWaalsContact O-N 3.16Å; L53-L77 HydrophobicContact CD1-CB 3.95Å; L53-L77 HydrophobicContact CD1-CD1 3.61Å; L53-L77 HydrophobicContact CD1-CG 3.86Å; L53-F79 HydrophobicContact CD1-CE2 4.5Å; L53-F79 HydrophobicContact CD1-CZ 4.38Å; L53-L106 HydrophobicContact CD2-CD1 3.85Å; L53-L106 HydrophobicContact CD2-CD2 3.35Å; L53-L106 HydrophobicContact CD2-CG 4.12Å
54	Y	81.9	Confident	87.6	Confident	164 Å²	164	59.8 Å²	59.8	64%	0.643	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.3	20.8	-176.5	-52.3	-80.4	0	0	0	114.9	K50 Q51 L52	K50-Y54 CarbonylContact O-C 3.55Å; K50-Y54 PolarHBondContact O-N 3.29Å; Q51-Y54 PolarHBondContact O-N 2.95Å; L52-Y54 VanDerWaalsContact C-N 3.29Å; L52-Y54 PolarHBondContact O-N 3.45Å
55	L	85.8	Confident	87.7	Confident	3 Å²	3	61.9 Å²	61.9	2%	0.016	29%	0.292	C	S	.	.			trans	-93.1	16.1	177.7	-55.7	179.4	0	0	0	113.9	K50 L53 H57 I58 L63 L77 F79 A136 M139	K50-L55 HydrophobicContact CB-CB 4.13Å; K50-L55 WeakPolarHBondContact CE-O 3.49Å; K50-L55 HydrophobicContact CG-CB 4.17Å; K50-L55 CarbonylContact O-C 3.55Å; K50-L55 WeakPolarHBondContact O-CA 3.46Å; K50-L55 PolarHBondContact O-N 3.28Å; L53-L55 HydrophobicContact CB-CD1 4.08Å; L53-L55 HydrophobicContact CB-CG 4Å; L53-L55 PolarHBondContact O-N 3.34Å; L53-L55 VanDerWaalsContact O-N 3.16Å; L55-H57 PolarHBondContact O-N 3Å; L55-I58 HydrophobicContact CB-CB 4.35Å; L55-I58 HydrophobicContact CB-CG1 4.18Å; L55-I58 HydrophobicContact CD2-CG1 4.04Å; L55-I58 WeakPolarHBondContact O-CB 3.38Å; L55-I58 PolarHBondContact O-N 3.34Å; L55-L63 HydrophobicContact CD1-CD2 4.19Å; L55-L77 HydrophobicContact CD1-CD1 4.16Å; L55-F79 HydrophobicContact CD1-CE1 4.09Å; L55-F79 HydrophobicContact CD1-CZ 3.88Å; L55-A136 HydrophobicContact CD2-CB 3.57Å; L55-M139 HydrophobicContact CD1-CE 3.98Å; L55-M139 HydrophobicContact CD2-CE 3.42Å; L55-M139 VanDerWaalsContact CD2-CE 3.42Å; L55-M139 HydrophobicContact CG-CE 4.34Å
56	R	83.2	Confident	88	Confident	149 Å²	149	59.4 Å²	59.4	56%	0.562	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-30.1	-175	64.4	177.9	176.5	171.9	-0.7	114.9	K50	K50-R56 PolarHBondContact O-N 3.46Å; K50-R56 VanDerWaalsContact O-N 3.14Å
57	H	85	Confident	88.2	Confident	99 Å²	99	61.8 Å²	61.8	46%	0.458	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-5.6	-176.8	-61.5	-49.5	0	0	0	113.7	L55 Q143	L55-H57 PolarHBondContact O-N 3Å; H57-Q143 PolarHBondContact O-NE2 2.96Å
58	I	89.2	Confident	88.4	Confident	9 Å²	9	59.3 Å²	59.3	5%	0.046	28%	0.278	C	S	.	.			trans	-82.9	131	-178.6	-56.1	-52.7	0	0	0	108.9	K50 L55 T62 L63 M139 A140	K50-I58 WeakPolarHBondContact CE-O 3.42Å; K50-I58 PolarHBondContact NZ-O 3.49Å; L55-I58 HydrophobicContact CB-CB 4.35Å; L55-I58 HydrophobicContact CB-CG1 4.18Å; L55-I58 HydrophobicContact CD2-CG1 4.04Å; L55-I58 WeakPolarHBondContact O-CB 3.38Å; L55-I58 PolarHBondContact O-N 3.34Å; I58-T62 HydrophobicContact CG2-CG2 3.79Å; I58-L63 HydrophobicContact CG2-CD2 4.12Å; I58-L63 HydrophobicContact CG2-CG 4.15Å; I58-M139 HydrophobicContact CD1-CB 3.84Å; I58-M139 HydrophobicContact CG1-CB 4.16Å; I58-M139 HydrophobicContact CG2-CB 4.01Å; I58-M139 HydrophobicContact CG2-SD 4.01Å; I58-A140 HydrophobicContact CD1-CB 4.02Å
59	T	91.1	Very high	88.6	Confident	68 Å²	68	55 Å²	55	42%	0.417	26%	0.262	S	S	.	.			trans	-78.8	155.7	177.7	63.5	0	0	0	0	111	G61 T62 L63 Q143	T59-G61 PolarHBondContact O-N 3.13Å; T59-T62 WeakPolarHBondContact O-CB 3.46Å; T59-T62 PolarHBondContact O-N 3.49Å; T59-T62 PolarHBondContact OG1-N 3.3Å; T59-T62 PolarHBondContact OG1-OG1 3.49Å; T59-L63 PolarHBondContact O-N 3.04Å; T59-L63 VanDerWaalsContact O-N 3.1Å; T59-Q143 PolarHBondContact OG1-OE1 2.99Å
60	D	90.9	Very high	88.8	Confident	47 Å²	47	54.9 Å²	54.9	25%	0.251	26%	0.261	S	S	.	.	H	α-helix	trans	-67.1	-28	-179.3	-54	-19.4	0	0	0	111	Q43 K50 T62 L63 N64	Q43-D60 PolarHBondContact NE2-OD2 3.05Å; K50-D60 IonicContact NZ-OD1 3.94Å; K50-D60 PolarHBondContact NZ-OD1 3.3Å; D60-T62 PolarHBondContact O-N 3.29Å; D60-L63 PolarHBondContact O-N 2.98Å; D60-N64 WeakPolarHBondContact O-CB 3.49Å; D60-N64 PolarHBondContact O-N 2.79Å; D60-N64 PolarHBondContact O-ND2 2.62Å
61	G	91.7	Very high	88.7	Confident	45 Å²	45	54.8 Å²	54.8	46%	0.464	26%	0.263	S	S	.	.	H	α-helix	trans	-62.3	-37.6	169.2	0	0	0	0	0	113.5	T59 R65	T59-G61 PolarHBondContact O-N 3.13Å; G61-R65 WeakPolarHBondContact O-CG 3.42Å; G61-R65 PolarHBondContact O-N 3.36Å
62	T	92.4	Very high	88.6	Confident	7 Å²	7	52.3 Å²	52.3	4%	0.043	26%	0.259	C	S	.	.	H	α-helix	trans	-69.7	-41.6	174.5	-57.5	0	0	0	0	111.2	I58 T59 D60 N64 R65 F66 M139 Y142 Q143	I58-T62 HydrophobicContact CG2-CG2 3.79Å; T59-T62 WeakPolarHBondContact O-CB 3.46Å; T59-T62 PolarHBondContact O-N 3.49Å; T59-T62 PolarHBondContact OG1-N 3.3Å; T59-T62 PolarHBondContact OG1-OG1 3.49Å; D60-T62 PolarHBondContact O-N 3.29Å; T62-N64 VanDerWaalsContact C-N 3.34Å; T62-N64 PolarHBondContact O-N 3.13Å; T62-R65 WeakPolarHBondContact O-CB 3.43Å; T62-R65 PolarHBondContact O-N 3.33Å; T62-F66 HydrophobicContact CG2-CD2 4.11Å; T62-F66 HydrophobicContact CG2-CE2 4.24Å; T62-F66 WeakPolarHBondContact O-CD2 3.45Å; T62-F66 PolarHBondContact O-N 3.14Å; T62-M139 HydrophobicContact CG2-CB 3.76Å; T62-M139 HydrophobicContact CG2-CG 4.02Å; T62-Y142 HydrophobicContact CG2-CD1 4.16Å; T62-Q143 HydrophobicContact CG2-CB 4.37Å; T62-Q143 PolarHBondContact OG1-OE1 3.05Å
63	L	92.9	Very high	88.5	Confident	0 Å²	0	52 Å²	52	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-57.6	-47.2	174.1	-67.2	175	0	0	0	111.3	V38 L46 K50 L55 I58 T59 D60 R65 F66 N67 V68 M139	V38-L63 HydrophobicContact CG2-CB 4.12Å; L46-L63 HydrophobicContact CD1-CD1 4.14Å; K50-L63 HydrophobicContact CD-CD1 4.11Å; K50-L63 HydrophobicContact CG-CD1 4.43Å; L55-L63 HydrophobicContact CD1-CD2 4.19Å; I58-L63 HydrophobicContact CG2-CD2 4.12Å; I58-L63 HydrophobicContact CG2-CG 4.15Å; T59-L63 PolarHBondContact O-N 3.04Å; T59-L63 VanDerWaalsContact O-N 3.1Å; D60-L63 PolarHBondContact O-N 2.98Å; L63-R65 PolarHBondContact O-N 3.41Å; L63-F66 CarbonylContact O-C 3.33Å; L63-F66 PolarHBondContact O-N 3.45Å; L63-N67 PolarHBondContact O-N 2.79Å; L63-N67 VanDerWaalsContact O-N 3.13Å; L63-V68 HydrophobicContact CB-CB 4.23Å; L63-V68 HydrophobicContact CD2-CB 4.2Å; L63-V68 HydrophobicContact CD2-CG1 4.27Å; L63-V68 HydrophobicContact CD2-CG2 4.08Å; L63-V68 PolarHBondContact O-N 3.05Å; L63-M139 HydrophobicContact CD2-CE 4.25Å; L63-M139 HydrophobicContact CD2-SD 3.74Å
64	N	91.9	Very high	88.5	Confident	77 Å²	77	53.4 Å²	53.4	41%	0.412	27%	0.27	S	S	.	.	H	α-helix	trans	-62.8	-40.3	177.2	-73.7	-27.7	0	0	0	112.3	V38 D60 T62 F66 N67	V38-N64 WeakPolarHBondContact CG2-OD1 3.29Å; D60-N64 WeakPolarHBondContact O-CB 3.49Å; D60-N64 PolarHBondContact O-N 2.79Å; D60-N64 PolarHBondContact O-ND2 2.62Å; T62-N64 VanDerWaalsContact C-N 3.34Å; T62-N64 PolarHBondContact O-N 3.13Å; N64-F66 VanDerWaalsContact C-N 3.34Å; N64-F66 PolarHBondContact O-N 3.46Å; N64-N67 WeakPolarHBondContact O-CA 3.29Å; N64-N67 PolarHBondContact O-N 3.32Å
65	R	91.7	Very high	88.5	Confident	145 Å²	145	49 Å²	49	55%	0.547	26%	0.257	S	S	.	.	H	α-helix	trans	-60	-42.9	174.5	-80.3	-77.8	-168.2	164	1.5	112	G61 T62 L63 N67 H120 L121 Y142	G61-R65 WeakPolarHBondContact O-CG 3.42Å; G61-R65 PolarHBondContact O-N 3.36Å; T62-R65 WeakPolarHBondContact O-CB 3.43Å; T62-R65 PolarHBondContact O-N 3.33Å; L63-R65 PolarHBondContact O-N 3.41Å; R65-N67 PolarHBondContact O-N 2.97Å; R65-H120 PolarHBondContact O-NE2 3.43Å; R65-H120 VanDerWaalsContact O-NE2 3.09Å; R65-L121 WeakPolarHBondContact O-CD2 3.12Å; R65-Y142 HydrophobicContact CB-CE1 4.17Å; R65-Y142 HydrophobicContact CG-CE1 4.16Å
66	F	91.9	Very high	88.5	Confident	1 Å²	1	48.9 Å²	48.9	0%	0.004	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	1.3	175	-83.1	-104.5	0	0	0	113.5	T62 L63 N64 V68 P80 L121 A138 M139 Y142	T62-F66 HydrophobicContact CG2-CD2 4.11Å; T62-F66 HydrophobicContact CG2-CE2 4.24Å; T62-F66 WeakPolarHBondContact O-CD2 3.45Å; T62-F66 PolarHBondContact O-N 3.14Å; L63-F66 CarbonylContact O-C 3.33Å; L63-F66 PolarHBondContact O-N 3.45Å; N64-F66 VanDerWaalsContact C-N 3.34Å; N64-F66 PolarHBondContact O-N 3.46Å; F66-V68 HydrophobicContact CB-CG2 4.02Å; F66-V68 PolarHBondContact O-N 3.13Å; F66-P80 WeakPolarHBondContact O-CG 3.23Å; F66-L121 HydrophobicContact CD2-CD1 4.14Å; F66-L121 HydrophobicContact CE2-CD1 4.04Å; F66-L121 HydrophobicContact CG-CD1 4.44Å; F66-L121 HydrophobicContact CZ-CD1 4.24Å; F66-A138 HydrophobicContact CE1-CB 4.03Å; F66-A138 HydrophobicContact CZ-CB 4.31Å; F66-M139 HydrophobicContact CB-CG 4.36Å; F66-M139 HydrophobicContact CB-SD 4.27Å; F66-M139 HydrophobicContact CD1-CG 3.93Å; F66-M139 HydrophobicContact CD2-CG 3.67Å; F66-M139 HydrophobicContact CD2-SD 4.49Å; F66-M139 HydrophobicContact CE1-CG 4.1Å; F66-M139 HydrophobicContact CE2-CB 4.48Å; F66-M139 HydrophobicContact CE2-CG 3.85Å; F66-M139 HydrophobicContact CG-CG 3.71Å; F66-M139 HydrophobicContact CG-SD 4.26Å; F66-M139 HydrophobicContact CZ-CG 4.06Å; F66-Y142 AromaticContact CE2-CD1 3.89Å; F66-Y142 HydrophobicContact CE2-CD1 3.89Å; F66-Y142 HydrophobicContact CE2-CD2 4.33Å; F66-Y142 AromaticContact CE2-CG 3.7Å; F66-Y142 HydrophobicContact CE2-CG 3.7Å; F66-Y142 HydrophobicContact CZ-CG 4.29Å
67	N	92.6	Very high	88.8	Confident	53 Å²	53	41.8 Å²	41.8	28%	0.283	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	57	33.8	-177.5	-163.1	20.2	0	0	0	112.6	W32 L63 N64 R65 R69 P80 Y82	W32-N67 WeakPolarHBondContact CH2-ND2 3.49Å; W32-N67 WeakPolarHBondContact CZ2-ND2 3.45Å; L63-N67 PolarHBondContact O-N 2.79Å; L63-N67 VanDerWaalsContact O-N 3.13Å; N64-N67 WeakPolarHBondContact O-CA 3.29Å; N64-N67 PolarHBondContact O-N 3.32Å; R65-N67 PolarHBondContact O-N 2.97Å; N67-R69 PolarHBondContact O-N 3.27Å; N67-P80 HydrophobicContact CB-CG 3.94Å; N67-P80 VanDerWaalsContact O-CD 3.29Å; N67-P80 WeakPolarHBondContact O-CD 3.49Å; N67-P80 VanDerWaalsContact O-CG 3.22Å; N67-P80 WeakPolarHBondContact O-CG 3.44Å; N67-Y82 WeakPolarHBondContact CB-OH 3.39Å; N67-Y82 PolarHBondContact ND2-OH 2.79Å
68	V	92.7	Very high	89	Confident	3 Å²	3	37 Å²	37	2%	0.018	21%	0.208	C	C	.	.			trans	-67.4	131.1	173.3	-177.9	0	0	0	0	108.3	V38 L63 F66 L77 I78 F79 M139	V38-V68 HydrophobicContact CG1-CG1 4.25Å; V38-V68 WeakPolarHBondContact CG1-O 3.47Å; L63-V68 HydrophobicContact CB-CB 4.23Å; L63-V68 HydrophobicContact CD2-CB 4.2Å; L63-V68 HydrophobicContact CD2-CG1 4.27Å; L63-V68 HydrophobicContact CD2-CG2 4.08Å; L63-V68 PolarHBondContact O-N 3.05Å; F66-V68 HydrophobicContact CB-CG2 4.02Å; F66-V68 PolarHBondContact O-N 3.13Å; V68-L77 HydrophobicContact CG1-CB 4.14Å; V68-L77 HydrophobicContact CG1-CD1 4.25Å; V68-L77 HydrophobicContact CG1-CD2 4.44Å; V68-I78 WeakPolarHBondContact CA-O 3.24Å; V68-I78 WeakPolarHBondContact CG1-O 3.4Å; V68-F79 HydrophobicContact CG1-CD1 4.27Å; V68-F79 HydrophobicContact CG1-CE1 4.09Å; V68-F79 HydrophobicContact CG2-CD1 3.75Å; V68-F79 HydrophobicContact CG2-CE1 3.95Å; V68-M139 HydrophobicContact CG2-SD 4.28Å
69	R	92.1	Very high	89	Confident	47 Å²	47	37 Å²	37	18%	0.177	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	160.6	180	-63.9	-175	79.3	-179	1.1	110.2	W32 S35 V36 N67 L77 I78	W32-R69 HydrophobicContact CH2-CG 3.92Å; W32-R69 HydrophobicContact CZ3-CB 4.45Å; W32-R69 HydrophobicContact CZ3-CG 4.11Å; W32-R69 PolarHBondContact O-NH1 3.4Å; W32-R69 VanDerWaalsContact O-NH1 3.14Å; S35-R69 PolarHBondContact O-NH2 3.49Å; S35-R69 VanDerWaalsContact OG-CD 3.28Å; S35-R69 WeakPolarHBondContact OG-CD 3.47Å; S35-R69 PolarHBondContact OG-NE 2.87Å; S35-R69 PolarHBondContact OG-NH1 2.96Å; V36-R69 CarbonylContact O-C 3.54Å; V36-R69 WeakPolarHBondContact O-CA 3.39Å; V36-R69 WeakPolarHBondContact O-CB 3.49Å; N67-R69 PolarHBondContact O-N 3.27Å; R69-L77 CarbonylContact O-C 3.46Å; R69-L77 WeakPolarHBondContact O-CA 2.97Å; R69-I78 HydrophobicContact CB-CB 4.5Å; R69-I78 PolarHBondContact N-O 3.08Å; R69-I78 VanDerWaalsContact N-O 3.08Å; R69-I78 PolarHBondContact O-N 2.91Å
70	A	90.1	Very high	89	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	146.6	171.4	0	0	0	0	0	110.3	S35 V36 M41 L74 G76	S35-A70 WeakPolarHBondContact CA-O 3.44Å; S35-A70 WeakPolarHBondContact CB-O 3.38Å; V36-A70 HydrophobicContact CG2-CB 3.91Å; V36-A70 PolarHBondContact N-O 3.1Å; V36-A70 PolarHBondContact O-N 3.05Å; M41-A70 HydrophobicContact CE-CB 4.33Å; A70-L74 HydrophobicContact CB-CD2 4.1Å; A70-G76 WeakPolarHBondContact CA-O 3.49Å
71	V	85.9	Confident	88.8	Confident	20 Å²	20	31.6 Å²	31.6	12%	0.121	18%	0.176	C	C	.	.			trans	-62.1	153.5	169.5	-177.8	0	0	0	0	109.2	S73 L74 G76 I78 I96	V71-S73 PolarHBondContact O-N 2.8Å; V71-L74 VanDerWaalsContact O-CA 3.3Å; V71-L74 WeakPolarHBondContact O-CA 3.16Å; V71-L74 PolarHBondContact O-N 3.25Å; V71-G76 PolarHBondContact N-O 2.94Å; V71-I78 HydrophobicContact CG2-CD1 4.05Å; V71-I78 HydrophobicContact CG2-CG1 3.69Å; V71-I96 HydrophobicContact CG2-CG2 3.61Å
72	S	84	Confident	88.5	Confident	72 Å²	72	29.5 Å²	29.5	50%	0.503	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-31.7	-179.1	52.9	0	0	0	0	113.8	L74	S72-L74 PolarHBondContact O-N 3.24Å
73	S	81.3	Confident	87.8	Confident	61 Å²	61	31.3 Å²	31.3	43%	0.427	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-11.4	171.2	59.7	0	0	0	0	113.9	K45 V71 D75	K45-S73 PolarHBondContact NZ-O 3.01Å; V71-S73 PolarHBondContact O-N 2.8Å; S73-D75 PolarHBondContact O-N 3.31Å; S73-D75 PolarHBondContact OG-N 2.81Å
74	L	80.1	Confident	87.1	Confident	52 Å²	52	37.3 Å²	37.3	27%	0.272	19%	0.194	S	C	.	.	S	Bend	trans	62.2	12.8	-172.2	-57	172.8	0	0	0	114.1	V36 M41 K45 A70 V71 S72	V36-L74 HydrophobicContact CG2-CD2 3.51Å; M41-L74 HydrophobicContact CB-CD2 4.33Å; K45-L74 HydrophobicContact CD-CB 4.05Å; K45-L74 VanDerWaalsContact CD-O 3.23Å; K45-L74 WeakPolarHBondContact CD-O 3.48Å; K45-L74 WeakPolarHBondContact CE-O 3.33Å; K45-L74 VanDerWaalsContact NZ-CB 3.34Å; K45-L74 PolarHBondContact NZ-O 3.24Å; A70-L74 HydrophobicContact CB-CD2 4.1Å; V71-L74 VanDerWaalsContact O-CA 3.3Å; V71-L74 WeakPolarHBondContact O-CA 3.16Å; V71-L74 PolarHBondContact O-N 3.25Å; S72-L74 PolarHBondContact O-N 3.24Å
75	D	82.8	Confident	86.4	Confident	71 Å²	71	36.2 Å²	36.2	38%	0.38	19%	0.188	S	C	.	.	S	Bend	trans	-97.3	9.9	-176.4	-63	-38.4	0	0	0	113.7	K45 S73 E99	K45-D75 WeakPolarHBondContact CE-OD1 3.28Å; K45-D75 IonicContact NZ-OD1 2.59Å; K45-D75 PolarHBondContact NZ-OD1 3.31Å; S73-D75 PolarHBondContact O-N 3.31Å; S73-D75 PolarHBondContact OG-N 2.81Å; D75-E99 WeakPolarHBondContact O-CB 3.33Å; D75-E99 PolarHBondContact O-N 2.85Å
76	G	85.3	Confident	85.8	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	167.4	-177.9	0	0	0	0	0	113.9	A70 V71 S97 D98	A70-G76 WeakPolarHBondContact CA-O 3.49Å; V71-G76 PolarHBondContact N-O 2.94Å; G76-S97 CarbonylContact C-O 3.5Å; G76-S97 WeakPolarHBondContact CA-O 3.17Å; G76-D98 WeakPolarHBondContact CA-OD1 3.35Å
77	L	90	Very high	84.8	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	142.9	177.2	-63.3	-173.9	0	0	0	111.3	V38 M41 L49 L53 L55 V68 R69 F79 S97	V38-L77 HydrophobicContact CG1-CD2 3.91Å; M41-L77 HydrophobicContact CE-CD2 3.99Å; L49-L77 HydrophobicContact CB-CG 4.48Å; L49-L77 HydrophobicContact CD1-CD2 4.28Å; L49-L77 HydrophobicContact CD1-CG 4.36Å; L53-L77 HydrophobicContact CD1-CB 3.95Å; L53-L77 HydrophobicContact CD1-CD1 3.61Å; L53-L77 HydrophobicContact CD1-CG 3.86Å; L55-L77 HydrophobicContact CD1-CD1 4.16Å; V68-L77 HydrophobicContact CG1-CB 4.14Å; V68-L77 HydrophobicContact CG1-CD1 4.25Å; V68-L77 HydrophobicContact CG1-CD2 4.44Å; R69-L77 CarbonylContact O-C 3.46Å; R69-L77 WeakPolarHBondContact O-CA 2.97Å; L77-F79 HydrophobicContact CB-CE2 4.01Å; L77-F79 HydrophobicContact CB-CZ 4.12Å; L77-F79 HydrophobicContact CD1-CZ 4.38Å; L77-S97 PolarHBondContact N-O 3.45Å; L77-S97 PolarHBondContact O-N 2.88Å
78	I	89	Confident	83.8	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	121.3	177.8	-55.4	179.5	0	0	0	108.5	V31 W32 V68 R69 V71 P80 L94 I96	V31-I78 HydrophobicContact CG1-CD1 3.99Å; W32-I78 HydrophobicContact CE3-CG2 4.25Å; W32-I78 HydrophobicContact CZ3-CG2 4.15Å; V68-I78 WeakPolarHBondContact CA-O 3.24Å; V68-I78 WeakPolarHBondContact CG1-O 3.4Å; R69-I78 HydrophobicContact CB-CB 4.5Å; R69-I78 PolarHBondContact N-O 3.08Å; R69-I78 VanDerWaalsContact N-O 3.08Å; R69-I78 PolarHBondContact O-N 2.91Å; V71-I78 HydrophobicContact CG2-CD1 4.05Å; V71-I78 HydrophobicContact CG2-CG1 3.69Å; I78-P80 WeakPolarHBondContact O-CD 3.48Å; I78-L94 HydrophobicContact CG2-CB 4.03Å; I78-L94 HydrophobicContact CG2-CD1 4.17Å; I78-L94 HydrophobicContact CG2-CD2 3.77Å; I78-L94 HydrophobicContact CG2-CG 4.19Å; I78-I96 HydrophobicContact CG1-CG1 4.29Å; I78-I96 HydrophobicContact CG1-CG2 4.44Å
79	F	89.8	Confident	83.2	Confident	7 Å²	7	44.6 Å²	44.6	3%	0.031	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	108.6	173.8	-57.1	-88.5	0	0	0	109.5	L53 L55 V68 L77 K95 E135 M139	L53-F79 HydrophobicContact CD1-CE2 4.5Å; L53-F79 HydrophobicContact CD1-CZ 4.38Å; L55-F79 HydrophobicContact CD1-CE1 4.09Å; L55-F79 HydrophobicContact CD1-CZ 3.88Å; V68-F79 HydrophobicContact CG1-CD1 4.27Å; V68-F79 HydrophobicContact CG1-CE1 4.09Å; V68-F79 HydrophobicContact CG2-CD1 3.75Å; V68-F79 HydrophobicContact CG2-CE1 3.95Å; L77-F79 HydrophobicContact CB-CE2 4.01Å; L77-F79 HydrophobicContact CB-CZ 4.12Å; L77-F79 HydrophobicContact CD1-CZ 4.38Å; F79-K95 HydrophobicContact CB-CB 4.28Å; F79-K95 PolarHBondContact N-O 2.74Å; F79-K95 PolarHBondContact O-N 3.09Å; F79-E135 HydrophobicContact CB-CG 4.02Å; F79-E135 HydrophobicContact CD1-CB 3.79Å; F79-E135 HydrophobicContact CD1-CG 3.71Å; F79-E135 HydrophobicContact CE1-CB 4.01Å; F79-E135 HydrophobicContact CE1-CG 4.38Å; F79-E135 HydrophobicContact CG-CB 4.4Å; F79-E135 HydrophobicContact CG-CG 3.87Å; F79-M139 HydrophobicContact CE1-CE 3.86Å
80	P	89.7	Confident	82.8	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	148.8	-179.3	28.7	-34.6	0	0	0	112.6	W32 F66 N67 I78 Y82 P91 L94 S117	W32-P80 HydrophobicContact CH2-CB 3.85Å; W32-P80 HydrophobicContact CH2-CG 4.03Å; W32-P80 HydrophobicContact CZ3-CB 3.84Å; W32-P80 HydrophobicContact CZ3-CG 4.24Å; F66-P80 WeakPolarHBondContact O-CG 3.23Å; N67-P80 HydrophobicContact CB-CG 3.94Å; N67-P80 VanDerWaalsContact O-CD 3.29Å; N67-P80 WeakPolarHBondContact O-CD 3.49Å; N67-P80 VanDerWaalsContact O-CG 3.22Å; N67-P80 WeakPolarHBondContact O-CG 3.44Å; I78-P80 WeakPolarHBondContact O-CD 3.48Å; P80-Y82 HydrophobicContact CB-CE2 3.74Å; P80-Y82 WeakPolarHBondContact CB-OH 3.47Å; P80-Y82 HydrophobicContact CG-CE2 3.78Å; P80-Y82 VanDerWaalsContact CG-OH 3.28Å; P80-Y82 WeakPolarHBondContact CG-OH 3.3Å; P80-P91 HydrophobicContact CB-CB 3.69Å; P80-P91 HydrophobicContact CB-CG 4.12Å; P80-L94 HydrophobicContact CB-CD2 4.35Å; P80-S117 WeakPolarHBondContact O-CA 3.14Å; P80-S117 PolarHBondContact O-OG 3.11Å
81	R	86.6	Confident	82.6	Confident	3 Å²	3	48 Å²	48	1%	0.011	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	137.2	177.4	-61.5	-172.1	171.6	-155.3	-3.1	110.3	P91 N92 G93 F113 E135 P153	R81-P91 CarbonylContact O-C 3.57Å; R81-P91 WeakPolarHBondContact O-CA 3.39Å; R81-N92 PolarHBondContact O-N 3.33Å; R81-G93 WeakPolarHBondContact CB-O 3.33Å; R81-G93 PolarHBondContact N-O 3.32Å; R81-G93 PolarHBondContact O-N 2.74Å; R81-F113 VanDerWaalsContact NH1-CE1 3.28Å; R81-E135 IonicContact NH2-OE1 3.33Å; R81-P153 VanDerWaalsContact NH1-CA 3.27Å; R81-P153 VanDerWaalsContact NH1-CB 3.26Å
82	Y	86.1	Confident	82.2	Confident	1 Å²	1	50 Å²	50	0%	0.004	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-125.1	143.3	-172.4	-54.1	-91	0	0	0	111.2	N67 P80 V89 P91 G115 M116 H120	N67-Y82 WeakPolarHBondContact CB-OH 3.39Å; N67-Y82 PolarHBondContact ND2-OH 2.79Å; P80-Y82 HydrophobicContact CB-CE2 3.74Å; P80-Y82 WeakPolarHBondContact CB-OH 3.47Å; P80-Y82 HydrophobicContact CG-CE2 3.78Å; P80-Y82 VanDerWaalsContact CG-OH 3.28Å; P80-Y82 WeakPolarHBondContact CG-OH 3.3Å; Y82-V89 HydrophobicContact CD1-CB 4.21Å; Y82-V89 HydrophobicContact CD1-CG1 4.06Å; Y82-V89 VanDerWaalsContact CE1-O 3.28Å; Y82-V89 WeakPolarHBondContact CE1-O 3.41Å; Y82-P91 HydrophobicContact CD1-CB 4.45Å; Y82-P91 HydrophobicContact CE1-CB 4.11Å; Y82-G115 CarbonylContact O-C 3.54Å; Y82-G115 WeakPolarHBondContact O-CA 3.25Å; Y82-M116 PolarHBondContact N-O 3.28Å; Y82-M116 PolarHBondContact O-N 3.17Å; Y82-H120 HydrophobicContact CD1-CB 3.81Å; Y82-H120 HydrophobicContact CD2-CB 3.72Å; Y82-H120 AromaticContact CD2-CG 3.7Å; Y82-H120 AromaticContact CD2-ND1 3.31Å; Y82-H120 VanDerWaalsContact CD2-ND1 3.31Å; Y82-H120 WeakPolarHBondContact CD2-ND1 3.45Å; Y82-H120 HydrophobicContact CE1-CB 3.94Å; Y82-H120 HydrophobicContact CE2-CB 3.88Å; Y82-H120 AromaticContact CE2-CE1 3.56Å; Y82-H120 AromaticContact CE2-CG 3.42Å; Y82-H120 VanDerWaalsContact CE2-CG 3.42Å; Y82-H120 AromaticContact CE2-ND1 3.04Å; Y82-H120 WeakPolarHBondContact CE2-ND1 3.38Å; Y82-H120 HydrophobicContact CG-CB 3.68Å; Y82-H120 AromaticContact CZ-CG 3.64Å; Y82-H120 AromaticContact CZ-ND1 3.74Å
83	T	78.2	Confident	82	Confident	45 Å²	45	46.6 Å²	46.6	28%	0.276	25%	0.249	S	C	.	.	S	Bend	trans	-104.6	-10.1	171.1	59.6	0	0	0	0	112.6	N92 Y119	T83-N92 HydrophobicContact CG2-CB 3.94Å; T83-N92 PolarHBondContact N-OD1 2.82Å; T83-N92 PolarHBondContact OG1-ND2 2.82Å; T83-N92 PolarHBondContact OG1-OD1 2.82Å; T83-Y119 WeakPolarHBondContact O-CE1 3.43Å
84	M	76.8	Confident	82	Confident	125 Å²	125	43.8 Å²	43.8	62%	0.616	23%	0.23	S	C	*	.	S	Bend	trans	-126.3	151.2	178.5	-58.3	-169.6	74.8	0	0	110.8	V89	M84-V89 HydrophobicContact CB-CG1 3.97Å; M84-V89 HydrophobicContact CB-CG2 4.15Å
85	M	78.9	Confident	82.2	Confident	55 Å²	55	42.4 Å²	42.4	27%	0.271	22%	0.222	S	C	.	.			trans	-80.8	148.3	174.4	-66.9	-175.7	-66.5	0	0	111.2	V89 Y119 V122 Q124 F171	M85-V89 WeakPolarHBondContact O-CG2 3.5Å; M85-Y119 HydrophobicContact CG-CD1 4.46Å; M85-Y119 HydrophobicContact CG-CE1 3.94Å; M85-Y119 HydrophobicContact CG-CE2 4.3Å; M85-V122 VanDerWaalsContact CB-O 3.31Å; M85-V122 WeakPolarHBondContact CB-O 3.16Å; M85-V122 HydrophobicContact CG-CB 4.2Å; M85-V122 WeakPolarHBondContact CG-O 3.49Å; M85-V122 HydrophobicContact SD-CB 4.09Å; M85-V122 HydrophobicContact SD-CG1 3.81Å; M85-Q124 HydrophobicContact CE-CG 3.88Å; M85-F171 HydrophobicContact CE-CE2 4.19Å; M85-F171 HydrophobicContact CE-CZ 3.77Å; M85-F171 HydrophobicContact SD-CE2 3.94Å; M85-F171 HydrophobicContact SD-CZ 3.46Å; M85-F171 WeakPolarHBondContact SD-CZ 3.38Å
86	G	78.1	Confident	82.1	Confident	18 Å²	18	39.6 Å²	39.6	19%	0.186	21%	0.206	C	C	.	.	S	Bend	trans	126.4	151.5	170.2	0	0	0	0	0	114.2	Q88 V89 H120	G86-Q88 VanDerWaalsContact C-N 3.27Å; G86-Q88 PolarHBondContact O-N 3.1Å; G86-V89 WeakPolarHBondContact O-CG2 3.46Å; G86-V89 PolarHBondContact O-N 3.34Å; G86-H120 CarbonylContact C-O 3.42Å; G86-H120 PolarHBondContact N-O 3.43Å; G86-H120 VanDerWaalsContact N-O 3.16Å
87	P	70.3	Confident	81.9	Confident	130 Å²	130	39.9 Å²	39.9	84%	0.844	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-13.7	-170	28.6	-35.3	0	0	0	114.7
88	Q	72.4	Confident	80.9	Confident	191 Å²	191	42.1 Å²	42.1	89%	0.893	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116.2	18.7	-177.3	-63.1	-163.1	-2.4	0	0	113.3	G86	G86-Q88 VanDerWaalsContact C-N 3.27Å; G86-Q88 PolarHBondContact O-N 3.1Å
89	V	79.3	Confident	79.7	Confident	38 Å²	38	43.8 Å²	43.8	23%	0.23	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-76.3	128.9	177.1	-178.1	0	0	0	0	109	Y82 M84 M85 G86	Y82-V89 HydrophobicContact CD1-CB 4.21Å; Y82-V89 HydrophobicContact CD1-CG1 4.06Å; Y82-V89 VanDerWaalsContact CE1-O 3.28Å; Y82-V89 WeakPolarHBondContact CE1-O 3.41Å; M84-V89 HydrophobicContact CB-CG1 3.97Å; M84-V89 HydrophobicContact CB-CG2 4.15Å; M85-V89 WeakPolarHBondContact O-CG2 3.5Å; G86-V89 WeakPolarHBondContact O-CG2 3.46Å; G86-V89 PolarHBondContact O-N 3.34Å
90	R	84.3	Confident	78	Confident	113 Å²	113	48.8 Å²	48.8	43%	0.426	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-70.9	136.6	170.1	-170.2	176.1	-176.5	151.3	8.2	109	N29 D33	N29-R90 VanDerWaalsContact CB-NH2 3.28Å; N29-R90 VanDerWaalsContact CG-NH2 3.35Å; N29-R90 VanDerWaalsContact OD1-CZ 3.3Å; N29-R90 PolarHBondContact OD1-NE 2.81Å; N29-R90 VanDerWaalsContact OD1-NE 3.11Å; N29-R90 PolarHBondContact OD1-NH2 2.81Å; D33-R90 IonicContact OD1-CZ 3.7Å; D33-R90 IonicContact OD1-NH2 2.85Å; D33-R90 PolarHBondContact OD1-NH2 2.96Å; D33-R90 IonicContact OD2-CZ 3.91Å; D33-R90 IonicContact OD2-NH2 2.83Å; D33-R90 PolarHBondContact OD2-NH2 3Å
91	P	85.1	Confident	75.6	Confident	5 Å²	5	54 Å²	54	3%	0.032	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-59.5	143.1	178	22.6	-32.4	0	0	0	112.2	W32 P80 R81 Y82 L94	W32-P91 HydrophobicContact CD2-CG 3.59Å; W32-P91 HydrophobicContact CE3-CG 3.88Å; W32-P91 HydrophobicContact CG-CG 4.12Å; W32-P91 HydrophobicContact CH2-CG 4.07Å; W32-P91 HydrophobicContact CZ2-CG 3.83Å; W32-P91 HydrophobicContact CZ3-CG 4.1Å; P80-P91 HydrophobicContact CB-CB 3.69Å; P80-P91 HydrophobicContact CB-CG 4.12Å; R81-P91 CarbonylContact O-C 3.57Å; R81-P91 WeakPolarHBondContact O-CA 3.39Å; Y82-P91 HydrophobicContact CD1-CB 4.45Å; Y82-P91 HydrophobicContact CE1-CB 4.11Å; P91-L94 HydrophobicContact CB-CD2 4.06Å; P91-L94 HydrophobicContact CG-CD2 3.98Å
92	N	78.9	Confident	73.3	Confident	63 Å²	63	60.3 Å²	60.3	34%	0.337	32%	0.321	S	S	.	.	S	Bend	trans	-92.8	-14.9	175.9	-61.2	98.6	0	0	0	112.7	M28 R81 T83	M28-N92 VanDerWaalsContact SD-C 3.55Å; M28-N92 VanDerWaalsContact SD-O 3.4Å; R81-N92 PolarHBondContact O-N 3.33Å; T83-N92 HydrophobicContact CG2-CB 3.94Å; T83-N92 PolarHBondContact N-OD1 2.82Å; T83-N92 PolarHBondContact OG1-ND2 2.82Å; T83-N92 PolarHBondContact OG1-OD1 2.82Å
93	G	78.7	Confident	71.1	Confident	0 Å²	0	64 Å²	64	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	159.7	178.3	0	0	0	0	0	110.6	R81 T112 H114	R81-G93 WeakPolarHBondContact CB-O 3.33Å; R81-G93 PolarHBondContact N-O 3.32Å; R81-G93 PolarHBondContact O-N 2.74Å; G93-T112 VanDerWaalsContact CA-O 3.23Å; G93-T112 WeakPolarHBondContact CA-O 3.17Å; G93-H114 PolarHBondContact N-O 2.86Å
94	L	82.4	Confident	69	Low	3 Å²	3	65.8 Å²	65.8	2%	0.016	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	142.6	178.8	-56	176	0	0	0	108.8	M28 V31 W32 I78 P80 P91	M28-L94 HydrophobicContact CG-CD1 3.67Å; M28-L94 HydrophobicContact CG-CG 3.72Å; M28-L94 HydrophobicContact SD-CG 4.45Å; V31-L94 HydrophobicContact CB-CD1 4.44Å; V31-L94 HydrophobicContact CG1-CD1 4.2Å; W32-L94 HydrophobicContact CB-CD1 4.2Å; W32-L94 HydrophobicContact CD2-CD2 4.25Å; W32-L94 HydrophobicContact CE3-CD1 4.37Å; W32-L94 HydrophobicContact CE3-CD2 3.4Å; W32-L94 HydrophobicContact CZ3-CD2 3.83Å; I78-L94 HydrophobicContact CG2-CB 4.03Å; I78-L94 HydrophobicContact CG2-CD1 4.17Å; I78-L94 HydrophobicContact CG2-CD2 3.77Å; I78-L94 HydrophobicContact CG2-CG 4.19Å; P80-L94 HydrophobicContact CB-CD2 4.35Å; P91-L94 HydrophobicContact CB-CD2 4.06Å; P91-L94 HydrophobicContact CG-CD2 3.98Å
95	K	82.6	Confident	66.9	Low	23 Å²	23	67.6 Å²	67.6	10%	0.1	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	117.7	162.5	177	-175.4	-176	176.5	0	107.3	F79 T108 E135	F79-K95 HydrophobicContact CB-CB 4.28Å; F79-K95 PolarHBondContact N-O 2.74Å; F79-K95 PolarHBondContact O-N 3.09Å; K95-T108 HydrophobicContact CD-CG2 4.48Å; K95-T108 HydrophobicContact CG-CG2 3.9Å; K95-E135 WeakPolarHBondContact CD-OE1 3.45Å; K95-E135 IonicContact NZ-OE1 2.74Å; K95-E135 PolarHBondContact NZ-OE1 3.03Å; K95-E135 IonicContact NZ-OE2 2.82Å; K95-E135 PolarHBondContact NZ-OE2 3.47Å
96	I	82.7	Confident	65.1	Low	11 Å²	11	68.7 Å²	68.7	6%	0.056	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	131.7	180	-49.6	176.1	0	0	0	108.2	V31 V71 I78 D98 T108 R110	V31-I96 HydrophobicContact CG1-CD1 3.81Å; V71-I96 HydrophobicContact CG2-CG2 3.61Å; I78-I96 HydrophobicContact CG1-CG1 4.29Å; I78-I96 HydrophobicContact CG1-CG2 4.44Å; I96-D98 WeakPolarHBondContact CG2-OD1 3.44Å; I96-T108 WeakPolarHBondContact O-CA 3.4Å; I96-T108 WeakPolarHBondContact O-CG2 3.31Å; I96-R110 HydrophobicContact CD1-CB 4.29Å
97	S	79.2	Confident	63.2	Low	6 Å²	6	68.3 Å²	68.3	4%	0.042	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	104.7	178.5	-63.2	0	0	0	0	109.2	G76 L77	G76-S97 CarbonylContact C-O 3.5Å; G76-S97 WeakPolarHBondContact CA-O 3.17Å; L77-S97 PolarHBondContact N-O 3.45Å; L77-S97 PolarHBondContact O-N 2.88Å
98	D	70.6	Confident	62.2	Low	47 Å²	47	65.1 Å²	65.1	25%	0.251	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	156.5	-176.3	-64.4	-28.9	0	0	0	112.5	G76 I96 A107	G76-D98 WeakPolarHBondContact CA-OD1 3.35Å; I96-D98 WeakPolarHBondContact CG2-OD1 3.44Å; D98-A107 PolarHBondContact N-O 2.93Å
99	E	62.8	Low	61	Low	35 Å²	35	61.5 Å²	61.5	16%	0.164	34%	0.34	C	S	.	.	S	Bend	trans	-85	115.1	175.5	-178.1	165.9	-173.7	0	0	111.5	R48 L49 L52 D75	R48-E99 IonicContact CZ-OE1 3.25Å; R48-E99 IonicContact NE-OE1 2.82Å; R48-E99 PolarHBondContact NE-OE1 3.43Å; R48-E99 IonicContact NE-OE2 3.07Å; R48-E99 IonicContact NH2-OE1 2.58Å; R48-E99 PolarHBondContact NH2-OE1 3.34Å; L49-E99 HydrophobicContact CD2-CB 3.84Å; L52-E99 HydrophobicContact CD1-CB 4.28Å; L52-E99 HydrophobicContact CD1-CG 3.6Å; L52-E99 VanDerWaalsContact CD1-OE1 3.28Å; L52-E99 WeakPolarHBondContact CD1-OE1 3.35Å; D75-E99 WeakPolarHBondContact O-CB 3.33Å; D75-E99 PolarHBondContact O-N 2.85Å
100	I	53.8	Low	59.7	Low	113 Å²	113	67.5 Å²	67.5	58%	0.579	36%	0.358	S	S	*	.			trans	93.5	108.4	161	-56	153.6	0	0	0	118.5
101	M	39.5	Very low	58.2	Low	108 Å²	108	64.6 Å²	64.6	53%	0.532	35%	0.352	S	S	.	.				-95.9	149.8	123.7	-88.2	-156	164.5	0	0	109.4	S103 G104 F109	M101-S103 PolarHBondContact O-N 2.97Å; M101-G104 PolarHBondContact O-N 2.7Å; M101-F109 HydrophobicContact CE-CZ 4.48Å
102	P	39.7	Very low	56.6	Low	136 Å²	136	66.3 Å²	66.3	88%	0.883	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-7.2	178.2	-21.8	31.3	0	0	0	115.5
103	S	38.6	Very low	55.6	Low	79 Å²	79	66 Å²	66	55%	0.552	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	11.8	-177.7	66.5	0	0	0	0	114.6	M101 K105	M101-S103 PolarHBondContact O-N 2.97Å; S103-K105 PolarHBondContact O-N 3.49Å; S103-K105 VanDerWaalsContact O-N 3.08Å
104	G	35.2	Very low	55	Low	82 Å²	82	72.2 Å²	72.2	85%	0.845	39%	0.387	S	S	*	.	S	Bend	trans	63.9	13.6	-178.6	0	0	0	0	0	114.6	M101	M101-G104 PolarHBondContact O-N 2.7Å
105	K	32.5	Very low	54.6	Low	163 Å²	163	72.1 Å²	72.1	71%	0.709	39%	0.386	S	S	*	.			trans	-100.9	135.2	177.1	-77.5	-175	177.1	178.4	0	110.2	S103	S103-K105 PolarHBondContact O-N 3.49Å; S103-K105 VanDerWaalsContact O-N 3.08Å
106	L	40	Very low	54.6	Low	79 Å²	79	71.1 Å²	71.1	41%	0.414	38%	0.382	S	S	.	.			trans	-70.9	130.3	177.1	-143	113.6	0	0	0	109.8	L52 L53 T108	L52-L106 HydrophobicContact CB-CD1 4.45Å; L52-L106 WeakPolarHBondContact O-CD1 3.42Å; L53-L106 HydrophobicContact CD2-CD1 3.85Å; L53-L106 HydrophobicContact CD2-CD2 3.35Å; L53-L106 HydrophobicContact CD2-CG 4.12Å; L106-T108 PolarHBondContact O-N 3.18Å
107	A	38.8	Very low	54.9	Low	10 Å²	10	70.6 Å²	70.6	8%	0.083	38%	0.379	C	S	.	.	B	Isolated β-bridge	trans	-93.8	91.3	-172.5	0	0	0	0	0	108.7	D98 F109	D98-A107 PolarHBondContact N-O 2.93Å; A107-F109 HydrophobicContact CB-CD2 3.42Å; A107-F109 VanDerWaalsContact CB-CD2 3.42Å; A107-F109 HydrophobicContact CB-CE2 3.26Å; A107-F109 PolarHBondContact O-N 3Å
108	T	48.4	Very low	55.3	Low	63 Å²	63	70.4 Å²	70.4	39%	0.387	38%	0.378	S	S	.	.			trans	-87.9	80.7	173.6	-29.4	0	0	0	0	109.3	K95 I96 L106	K95-T108 HydrophobicContact CD-CG2 4.48Å; K95-T108 HydrophobicContact CG-CG2 3.9Å; I96-T108 WeakPolarHBondContact O-CA 3.4Å; I96-T108 WeakPolarHBondContact O-CG2 3.31Å; L106-T108 PolarHBondContact O-N 3.18Å
109	F	48.5	Very low	56.1	Low	114 Å²	114	68.7 Å²	68.7	50%	0.5	37%	0.368	S	S	.	.			trans	-94.8	128.1	-177	-75.4	-97.7	0	0	0	109.5	M101 A107	M101-F109 HydrophobicContact CE-CZ 4.48Å; A107-F109 HydrophobicContact CB-CD2 3.42Å; A107-F109 VanDerWaalsContact CB-CD2 3.42Å; A107-F109 HydrophobicContact CB-CE2 3.26Å; A107-F109 PolarHBondContact O-N 3Å
110	R	51.2	Low	57.3	Low	164 Å²	164	67.8 Å²	67.8	62%	0.619	36%	0.364	S	S	*	.			trans	79.7	83.6	177.3	-49.8	-179.6	-179.4	-158	-1.2	115	I96	I96-R110 HydrophobicContact CD1-CB 4.29Å
111	N	52	Low	59	Low	53 Å²	53	63.8 Å²	63.8	28%	0.283	34%	0.343	S	S	.	.	B	Isolated β-bridge	trans	-100.6	94.1	163.4	-85.2	-39.9	0	0	0	110.4	F113	N111-F113 VanDerWaalsContact C-N 3.33Å; N111-F113 HydrophobicContact CB-CD1 3.61Å; N111-F113 HydrophobicContact CB-CD2 3.48Å; N111-F113 VanDerWaalsContact CB-CD2 3.48Å; N111-F113 HydrophobicContact CB-CE1 3.35Å; N111-F113 HydrophobicContact CB-CE2 3.17Å; N111-F113 HydrophobicContact CB-CG 3.74Å; N111-F113 HydrophobicContact CB-CZ 3.18Å; N111-F113 WeakPolarHBondContact ND2-CE1 3.25Å; N111-F113 WeakPolarHBondContact ND2-CZ 3.42Å; N111-F113 PolarHBondContact O-N 3.42Å; N111-F113 WeakPolarHBondContact OD1-CE1 3.37Å; N111-F113 WeakPolarHBondContact OD1-CZ 3.37Å
112	T	52.9	Low	61.1	Low	40 Å²	40	58.9 Å²	58.9	25%	0.245	32%	0.319	C	S	.	.			trans	-88.2	80.3	164.7	45.1	0	0	0	0	108	R24 G93 H114	R24-T112 HydrophobicContact CB-CG2 4.17Å; G93-T112 VanDerWaalsContact CA-O 3.23Å; G93-T112 WeakPolarHBondContact CA-O 3.17Å; T112-H114 PolarHBondContact O-N 2.75Å; T112-H114 VanDerWaalsContact O-N 3.13Å
113	F	57.4	Low	63.1	Low	57 Å²	57	60.7 Å²	60.7	25%	0.25	31%	0.309	C	S	.	.			trans	-80.3	91	-163.7	-68.6	-59	0	0	0	114.5	R81 N111 E154	R81-F113 VanDerWaalsContact NH1-CE1 3.28Å; N111-F113 VanDerWaalsContact C-N 3.33Å; N111-F113 HydrophobicContact CB-CD1 3.61Å; N111-F113 HydrophobicContact CB-CD2 3.48Å; N111-F113 VanDerWaalsContact CB-CD2 3.48Å; N111-F113 HydrophobicContact CB-CE1 3.35Å; N111-F113 HydrophobicContact CB-CE2 3.17Å; N111-F113 HydrophobicContact CB-CG 3.74Å; N111-F113 HydrophobicContact CB-CZ 3.18Å; N111-F113 WeakPolarHBondContact ND2-CE1 3.25Å; N111-F113 WeakPolarHBondContact ND2-CZ 3.42Å; N111-F113 PolarHBondContact O-N 3.42Å; N111-F113 WeakPolarHBondContact OD1-CE1 3.37Å; N111-F113 WeakPolarHBondContact OD1-CZ 3.37Å; F113-E154 WeakPolarHBondContact CZ-O 3.45Å
114	H	65.6	Low	64.8	Low	131 Å²	131	65.1 Å²	65.1	61%	0.606	32%	0.321	S	S	*	.			trans	-135.4	128.4	155.9	-66	-48.3	0	0	0	110.6	G93 T112	G93-H114 PolarHBondContact N-O 2.86Å; T112-H114 PolarHBondContact O-N 2.75Å; T112-H114 VanDerWaalsContact O-N 3.13Å
115	G	74.6	Confident	66.8	Low	1 Å²	1	65.8 Å²	65.8	1%	0.01	32%	0.318	C	S	.	.	S	Bend	trans	104.1	176.2	178.6	0	0	0	0	0	115.4	Y82	Y82-G115 CarbonylContact O-C 3.54Å; Y82-G115 WeakPolarHBondContact O-CA 3.25Å
116	M	83.6	Confident	68.7	Low	1 Å²	1	60.1 Å²	60.1	1%	0.005	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-116.2	139.3	-178.8	-66.9	175.5	-69.7	0	0	109.8	Y82 Y119 I150 V151 L152 L168	Y82-M116 PolarHBondContact N-O 3.28Å; Y82-M116 PolarHBondContact O-N 3.17Å; M116-Y119 HydrophobicContact CE-CD1 4.24Å; M116-Y119 HydrophobicContact CE-CD2 3.48Å; M116-Y119 VanDerWaalsContact CE-CD2 3.48Å; M116-Y119 HydrophobicContact CE-CE1 4.4Å; M116-Y119 HydrophobicContact CE-CE2 3.68Å; M116-Y119 HydrophobicContact CE-CG 3.78Å; M116-I150 HydrophobicContact CE-CD1 4.16Å; M116-I150 HydrophobicContact SD-CD1 3.66Å; M116-I150 HydrophobicContact SD-CG1 4.44Å; M116-V151 WeakPolarHBondContact CA-O 3.42Å; M116-V151 WeakPolarHBondContact CB-O 3.5Å; M116-L152 HydrophobicContact SD-CD2 4.17Å; M116-L168 HydrophobicContact CE-CD2 4.37Å
117	S	87.4	Confident	70.2	Confident	1 Å²	1	60.1 Å²	60.1	1%	0.007	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-71.8	141.5	172.3	-177.9	0	0	0	0	109.5	P80 Y119 I150 V151	P80-S117 WeakPolarHBondContact O-CA 3.14Å; P80-S117 PolarHBondContact O-OG 3.11Å; S117-Y119 PolarHBondContact O-N 3.27Å; S117-I150 CarbonylContact O-C 3.59Å; S117-I150 WeakPolarHBondContact O-CA 3.48Å; S117-I150 WeakPolarHBondContact O-CB 3.29Å; S117-V151 PolarHBondContact N-O 2.66Å; S117-V151 PolarHBondContact O-N 3.5Å
118	G	88.4	Confident	71.8	Confident	1 Å²	1	62.4 Å²	62.4	1%	0.01	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.6	-8	-176.8	0	0	0	0	0	115.4	H120 L121	G118-H120 VanDerWaalsContact C-N 3.26Å; G118-H120 PolarHBondContact O-N 2.88Å; G118-L121 VanDerWaalsContact O-CB 3.29Å; G118-L121 WeakPolarHBondContact O-CB 3.04Å; G118-L121 PolarHBondContact O-N 2.8Å
119	Y	86.4	Confident	73	Confident	11 Å²	11	59.5 Å²	59.5	4%	0.043	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-67	-25.6	-177.1	-172	-114.8	0	0	0	113.7	T83 M85 M116 S117 L121 V122 I150 L167 L168	T83-Y119 WeakPolarHBondContact O-CE1 3.43Å; M85-Y119 HydrophobicContact CG-CD1 4.46Å; M85-Y119 HydrophobicContact CG-CE1 3.94Å; M85-Y119 HydrophobicContact CG-CE2 4.3Å; M116-Y119 HydrophobicContact CE-CD1 4.24Å; M116-Y119 HydrophobicContact CE-CD2 3.48Å; M116-Y119 VanDerWaalsContact CE-CD2 3.48Å; M116-Y119 HydrophobicContact CE-CE1 4.4Å; M116-Y119 HydrophobicContact CE-CE2 3.68Å; M116-Y119 HydrophobicContact CE-CG 3.78Å; S117-Y119 PolarHBondContact O-N 3.27Å; Y119-L121 PolarHBondContact O-N 3.37Å; Y119-V122 HydrophobicContact CD2-CB 4.42Å; Y119-V122 HydrophobicContact CD2-CG2 4.09Å; Y119-V122 WeakPolarHBondContact O-CB 3.42Å; Y119-V122 PolarHBondContact O-N 2.86Å; Y119-V122 VanDerWaalsContact O-N 3.13Å; Y119-I150 HydrophobicContact CD2-CD1 4.36Å; Y119-L167 PolarHBondContact OH-O 3.23Å; Y119-L167 VanDerWaalsContact OH-O 3.05Å; Y119-L168 HydrophobicContact CE2-CD2 4.16Å
120	H	89	Confident	74.3	Confident	16 Å²	16	54.7 Å²	54.7	7%	0.074	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-61.6	-21.6	171.8	65.4	-60.9	0	0	0	113.5	R65 Y82 G86 G118	R65-H120 PolarHBondContact O-NE2 3.43Å; R65-H120 VanDerWaalsContact O-NE2 3.09Å; Y82-H120 HydrophobicContact CD1-CB 3.81Å; Y82-H120 HydrophobicContact CD2-CB 3.72Å; Y82-H120 AromaticContact CD2-CG 3.7Å; Y82-H120 AromaticContact CD2-ND1 3.31Å; Y82-H120 VanDerWaalsContact CD2-ND1 3.31Å; Y82-H120 WeakPolarHBondContact CD2-ND1 3.45Å; Y82-H120 HydrophobicContact CE1-CB 3.94Å; Y82-H120 HydrophobicContact CE2-CB 3.88Å; Y82-H120 AromaticContact CE2-CE1 3.56Å; Y82-H120 AromaticContact CE2-CG 3.42Å; Y82-H120 VanDerWaalsContact CE2-CG 3.42Å; Y82-H120 AromaticContact CE2-ND1 3.04Å; Y82-H120 WeakPolarHBondContact CE2-ND1 3.38Å; Y82-H120 HydrophobicContact CG-CB 3.68Å; Y82-H120 AromaticContact CZ-CG 3.64Å; Y82-H120 AromaticContact CZ-ND1 3.74Å; G86-H120 CarbonylContact C-O 3.42Å; G86-H120 PolarHBondContact N-O 3.43Å; G86-H120 VanDerWaalsContact N-O 3.16Å; G118-H120 VanDerWaalsContact C-N 3.26Å; G118-H120 PolarHBondContact O-N 2.88Å
121	L	89.3	Confident	75.5	Confident	29 Å²	29	47.1 Å²	47.1	15%	0.152	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-81	-18.5	178.1	-60.6	175	0	0	0	113.2	R65 F66 G118 Y119 Y142 L148	R65-L121 WeakPolarHBondContact O-CD2 3.12Å; F66-L121 HydrophobicContact CD2-CD1 4.14Å; F66-L121 HydrophobicContact CE2-CD1 4.04Å; F66-L121 HydrophobicContact CG-CD1 4.44Å; F66-L121 HydrophobicContact CZ-CD1 4.24Å; G118-L121 VanDerWaalsContact O-CB 3.29Å; G118-L121 WeakPolarHBondContact O-CB 3.04Å; G118-L121 PolarHBondContact O-N 2.8Å; Y119-L121 PolarHBondContact O-N 3.37Å; L121-Y142 HydrophobicContact CD1-CE2 4.49Å; L121-L148 HydrophobicContact CB-CD2 3.75Å
122	V	83.8	Confident	76.7	Confident	5 Å²	5	44.7 Å²	44.7	3%	0.03	23%	0.232	C	C	.	.			trans	-73.7	138.9	-179.4	-174.7	0	0	0	0	109.9	M85 Y119 V129 I150 F171	M85-V122 VanDerWaalsContact CB-O 3.31Å; M85-V122 WeakPolarHBondContact CB-O 3.16Å; M85-V122 HydrophobicContact CG-CB 4.2Å; M85-V122 WeakPolarHBondContact CG-O 3.49Å; M85-V122 HydrophobicContact SD-CB 4.09Å; M85-V122 HydrophobicContact SD-CG1 3.81Å; Y119-V122 HydrophobicContact CD2-CB 4.42Å; Y119-V122 HydrophobicContact CD2-CG2 4.09Å; Y119-V122 WeakPolarHBondContact O-CB 3.42Å; Y119-V122 PolarHBondContact O-N 2.86Å; Y119-V122 VanDerWaalsContact O-N 3.13Å; V122-V129 HydrophobicContact CG1-CG2 4.15Å; V122-V129 HydrophobicContact CG2-CG2 4.14Å; V122-I150 HydrophobicContact CG2-CG2 3.83Å; V122-F171 HydrophobicContact CG1-CZ 4.19Å
123	R	81.1	Confident	77.7	Confident	175 Å²	175	45.5 Å²	45.5	66%	0.66	24%	0.235	S	C	*	.			trans	-119.8	156.6	177.1	-56.2	172.8	178.2	177.8	-3.6	109.1	A125 D126 F171	R123-A125 PolarHBondContact O-N 2.86Å; R123-A125 VanDerWaalsContact O-N 3.08Å; R123-D126 WeakPolarHBondContact CA-OD2 3.5Å; R123-D126 VanDerWaalsContact CB-OD2 3.29Å; R123-D126 WeakPolarHBondContact CB-OD2 3.4Å; R123-D126 PolarHBondContact N-OD2 3.06Å; R123-D126 PolarHBondContact O-N 3.48Å; R123-D126 VanDerWaalsContact O-N 3.08Å; R123-F171 VanDerWaalsContact O-CE1 3.3Å; R123-F171 WeakPolarHBondContact O-CE1 3.41Å
124	Q	74.6	Confident	78.7	Confident	171 Å²	171	44.9 Å²	44.9	80%	0.799	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-24	176.8	-74.5	-177.9	-11.2	0	0	114.2	M85	M85-Q124 HydrophobicContact CE-CG 3.88Å
125	A	76.6	Confident	79.6	Confident	96 Å²	96	39.1 Å²	39.1	79%	0.793	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-7.2	-179.9	0	0	0	0	0	114.3	R123	R123-A125 PolarHBondContact O-N 2.86Å; R123-A125 VanDerWaalsContact O-N 3.08Å
126	D	73.7	Confident	80.1	Confident	44 Å²	44	39.7 Å²	39.7	24%	0.235	21%	0.212	C	C	.	.			trans	-78.1	126.3	-175.6	-63.7	-50.5	0	0	0	111.3	R123 L148 F171	R123-D126 WeakPolarHBondContact CA-OD2 3.5Å; R123-D126 VanDerWaalsContact CB-OD2 3.29Å; R123-D126 WeakPolarHBondContact CB-OD2 3.4Å; R123-D126 PolarHBondContact N-OD2 3.06Å; R123-D126 PolarHBondContact O-N 3.48Å; R123-D126 VanDerWaalsContact O-N 3.08Å; D126-L148 HydrophobicContact CB-CD1 3.9Å; D126-L148 WeakPolarHBondContact OD2-CD1 3.12Å; D126-F171 WeakPolarHBondContact O-CD1 3.36Å
127	S	70.5	Confident	79.9	Confident	79 Å²	79	40.1 Å²	40.1	55%	0.552	21%	0.214	S	C	*	.			trans	-94.7	-16.9	-179.2	64.3	0	0	0	0	113.9	L173 T174	S127-L173 WeakPolarHBondContact O-CA 3.43Å; S127-T174 PolarHBondContact O-N 3.48Å; S127-T174 PolarHBondContact O-OG1 3.45Å; S127-T174 VanDerWaalsContact O-OG1 3.09Å
128	E	71.8	Confident	79.9	Confident	59 Å²	59	40 Å²	40	28%	0.276	21%	0.214	S	C	.	.			trans	-135.8	130.2	-179.3	-71.1	-167.3	166.2	0	0	109.9	K147 T174 K176	E128-K147 IonicContact OE2-NZ 3.14Å; E128-K147 PolarHBondContact OE2-NZ 3Å; E128-T174 WeakPolarHBondContact CG-OG1 3.34Å; E128-K176 IonicContact OE1-NZ 3.49Å; E128-K176 PolarHBondContact OE1-NZ 2.95Å; E128-K176 IonicContact OE2-NZ 3.59Å; E128-K176 PolarHBondContact OE2-NZ 2.64Å
129	V	75	Confident	79.9	Confident	2 Å²	2	40 Å²	40	1%	0.012	21%	0.213	C	C	.	.			trans	-131.4	142	167.1	176.5	0	0	0	0	108.2	V122 L148 I150 L173 I177	V122-V129 HydrophobicContact CG1-CG2 4.15Å; V122-V129 HydrophobicContact CG2-CG2 4.14Å; V129-L148 HydrophobicContact CG2-CB 4.23Å; V129-I150 HydrophobicContact CG1-CB 4.48Å; V129-I150 HydrophobicContact CG1-CD1 4.04Å; V129-I150 HydrophobicContact CG1-CG1 4Å; V129-I150 HydrophobicContact CG1-CG2 3.89Å; V129-L173 HydrophobicContact CB-CD1 4.48Å; V129-L173 HydrophobicContact CB-CD2 3.53Å; V129-L173 HydrophobicContact CB-CG 4.23Å; V129-L173 HydrophobicContact CG2-CD1 3.91Å; V129-L173 HydrophobicContact CG2-CD2 3.79Å; V129-L173 HydrophobicContact CG2-CG 4.2Å; V129-I177 WeakPolarHBondContact O-CD1 3.33Å; V129-I177 WeakPolarHBondContact O-CG1 3.23Å
130	V	76.4	Confident	79.8	Confident	12 Å²	12	40 Å²	40	7%	0.073	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	142.4	171.3	-177.5	0	0	0	0	108.3	T132 I141 K147 L148 A149 I150	V130-T132 HydrophobicContact CG1-CG2 4.28Å; V130-I141 HydrophobicContact CB-CG2 4.15Å; V130-I141 HydrophobicContact CG1-CD1 3.55Å; V130-I141 HydrophobicContact CG1-CG2 4.19Å; V130-I141 HydrophobicContact CG2-CG2 4.07Å; V130-K147 HydrophobicContact CG2-CB 4.45Å; V130-L148 PolarHBondContact N-O 3.15Å; V130-A149 HydrophobicContact CB-CB 4.19Å; V130-A149 CarbonylContact O-C 3.58Å; V130-A149 WeakPolarHBondContact O-CA 2.96Å; V130-I150 PolarHBondContact O-N 3.24Å
131	V	75.6	Confident	79.5	Confident	5 Å²	5	39.4 Å²	39.4	3%	0.03	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	132.4	178.1	149.4	0	0	0	0	105.9	I150 L152 I177	V131-I150 CarbonylContact C-O 3.5Å; V131-I150 VanDerWaalsContact CA-O 3.23Å; V131-I150 WeakPolarHBondContact CA-O 3.27Å; V131-I150 HydrophobicContact CB-CG1 4.19Å; V131-I150 HydrophobicContact CG2-CD1 3.48Å; V131-I150 VanDerWaalsContact CG2-CD1 3.48Å; V131-I150 HydrophobicContact CG2-CG1 3.22Å; V131-L152 HydrophobicContact CG1-CB 4.47Å; V131-L152 HydrophobicContact CG1-CD1 3.38Å; V131-L152 HydrophobicContact CG1-CD2 4.45Å; V131-L152 HydrophobicContact CG1-CG 3.47Å; V131-L152 VanDerWaalsContact CG1-CG 3.47Å; V131-I177 HydrophobicContact CB-CB 3.91Å; V131-I177 HydrophobicContact CB-CD1 3.28Å; V131-I177 HydrophobicContact CB-CG1 3.63Å; V131-I177 HydrophobicContact CB-CG2 3.21Å; V131-I177 HydrophobicContact CG1-CD1 4.49Å; V131-I177 HydrophobicContact CG1-CG2 3.36Å; V131-I177 HydrophobicContact CG2-CD1 3.18Å; V131-I177 HydrophobicContact CG2-CG1 4.12Å; V131-I177 HydrophobicContact CG2-CG2 4.17Å
132	T	76.1	Confident	79.4	Confident	2 Å²	2	39.9 Å²	39.9	1%	0.012	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	170.1	-178.8	68.8	0	0	0	0	109.8	V130 N134 D137 A138 I141 I150 L152 L179	V130-T132 HydrophobicContact CG1-CG2 4.28Å; T132-N134 PolarHBondContact OG1-O 3.13Å; T132-D137 HydrophobicContact CG2-CB 3.99Å; T132-A138 HydrophobicContact CG2-CB 4.25Å; T132-A138 WeakPolarHBondContact OG1-CB 3.23Å; T132-I141 HydrophobicContact CG2-CD1 3.51Å; T132-I150 PolarHBondContact N-O 3.49Å; T132-I150 PolarHBondContact OG1-O 2.88Å; T132-L152 PolarHBondContact O-N 3.35Å; T132-L179 HydrophobicContact CG2-CD1 4.19Å
133	L	74.6	Confident	79.7	Confident	57 Å²	57	41.6 Å²	41.6	30%	0.298	22%	0.221	S	C	.	.	S	Bend	trans	-95	-16.6	177.9	-66	176.8	0	0	0	113	N181 F182	L133-N181 HydrophobicContact CD1-CB 3.8Å; L133-F182 HydrophobicContact CD2-CD2 3.81Å; L133-F182 HydrophobicContact CD2-CE2 3.8Å
134	N	78.6	Confident	79.8	Confident	45 Å²	45	34.3 Å²	34.3	24%	0.241	20%	0.198	C	C	.	.	S	Bend	trans	-139.7	159.4	179.8	66.2	62.2	0	0	0	111	T132 A136 D137 A138	T132-N134 PolarHBondContact OG1-O 3.13Å; N134-A136 VanDerWaalsContact C-N 3.34Å; N134-A136 PolarHBondContact OD1-N 2.87Å; N134-D137 PolarHBondContact ND2-OD2 3.04Å; N134-D137 WeakPolarHBondContact OD1-CB 3.35Å; N134-D137 PolarHBondContact OD1-N 3.44Å; N134-D137 PolarHBondContact OD1-OD2 3.37Å; N134-A138 PolarHBondContact O-N 3Å
135	E	84.9	Confident	80.1	Confident	10 Å²	10	27.7 Å²	27.7	5%	0.047	17%	0.17	C	C	.	.	H	α-helix	trans	-68.6	-31	-178.1	-63.1	76.9	-173.4	0	0	112.8	F79 R81 K95 A138 M139 V151	F79-E135 HydrophobicContact CB-CG 4.02Å; F79-E135 HydrophobicContact CD1-CB 3.79Å; F79-E135 HydrophobicContact CD1-CG 3.71Å; F79-E135 HydrophobicContact CE1-CB 4.01Å; F79-E135 HydrophobicContact CE1-CG 4.38Å; F79-E135 HydrophobicContact CG-CB 4.4Å; F79-E135 HydrophobicContact CG-CG 3.87Å; R81-E135 IonicContact NH2-OE1 3.33Å; K95-E135 WeakPolarHBondContact CD-OE1 3.45Å; K95-E135 IonicContact NZ-OE1 2.74Å; K95-E135 PolarHBondContact NZ-OE1 3.03Å; K95-E135 IonicContact NZ-OE2 2.82Å; K95-E135 PolarHBondContact NZ-OE2 3.47Å; E135-A138 PolarHBondContact O-N 3.4Å; E135-M139 HydrophobicContact CB-CE 4.07Å; E135-M139 WeakPolarHBondContact O-CB 3.27Å; E135-M139 WeakPolarHBondContact O-CE 3.21Å; E135-M139 WeakPolarHBondContact O-CG 3.39Å; E135-M139 PolarHBondContact O-N 2.88Å; E135-V151 HydrophobicContact CB-CG2 4.41Å; E135-V151 HydrophobicContact CG-CG2 4.09Å
136	A	84.6	Confident	80.4	Confident	12 Å²	12	28 Å²	28	10%	0.099	17%	0.166	C	C	.	.	H	α-helix	trans	-63.3	-48.1	179.8	0	0	0	0	0	112	L55 N134 M139 A140	L55-A136 HydrophobicContact CD2-CB 3.57Å; N134-A136 VanDerWaalsContact C-N 3.34Å; N134-A136 PolarHBondContact OD1-N 2.87Å; A136-M139 PolarHBondContact O-N 3.19Å; A136-A140 VanDerWaalsContact O-CB 3.3Å; A136-A140 WeakPolarHBondContact O-CB 3.17Å; A136-A140 PolarHBondContact O-N 3.48Å
137	D	80.3	Confident	80.8	Confident	10 Å²	10	28.6 Å²	28.6	5%	0.053	17%	0.167	C	C	.	.	H	α-helix	trans	-66.8	-40.3	178.5	-72.6	-33.4	0	0	0	111.5	T132 N134 M139 A140 I141 L179 N203 L204	T132-D137 HydrophobicContact CG2-CB 3.99Å; N134-D137 PolarHBondContact ND2-OD2 3.04Å; N134-D137 WeakPolarHBondContact OD1-CB 3.35Å; N134-D137 PolarHBondContact OD1-N 3.44Å; N134-D137 PolarHBondContact OD1-OD2 3.37Å; D137-M139 PolarHBondContact O-N 2.89Å; D137-A140 PolarHBondContact O-N 3.42Å; D137-I141 WeakPolarHBondContact O-CB 3.3Å; D137-I141 WeakPolarHBondContact O-CD1 3.38Å; D137-I141 WeakPolarHBondContact O-CG1 3.22Å; D137-I141 PolarHBondContact O-N 2.99Å; D137-L179 HydrophobicContact CB-CD1 3.67Å; D137-L179 WeakPolarHBondContact OD2-CD1 3.45Å; D137-N203 WeakPolarHBondContact OD1-CA 2.86Å; D137-L204 HydrophobicContact CB-CD1 4.39Å; D137-L204 PolarHBondContact OD1-N 2.88Å
138	A	85.6	Confident	81.5	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-60.1	-48.1	176.5	0	0	0	0	0	111.1	F66 T132 N134 E135 I141 Y142 A149 V151	F66-A138 HydrophobicContact CE1-CB 4.03Å; F66-A138 HydrophobicContact CZ-CB 4.31Å; T132-A138 HydrophobicContact CG2-CB 4.25Å; T132-A138 WeakPolarHBondContact OG1-CB 3.23Å; N134-A138 PolarHBondContact O-N 3Å; E135-A138 PolarHBondContact O-N 3.4Å; A138-I141 PolarHBondContact O-N 3.47Å; A138-Y142 WeakPolarHBondContact O-CB 3.09Å; A138-Y142 PolarHBondContact O-N 2.82Å; A138-A149 HydrophobicContact CB-CB 3.84Å; A138-A149 VanDerWaalsContact O-CB 3.31Å; A138-A149 WeakPolarHBondContact O-CB 3.49Å; A138-V151 HydrophobicContact CB-CG2 3.61Å
139	M	89	Confident	82.1	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-66.3	-38.6	178.1	-71.9	-173.4	-75.5	0	0	112.2	L55 I58 T62 L63 F66 V68 F79 E135 A136 D137 I141 Y142 Q143	L55-M139 HydrophobicContact CD1-CE 3.98Å; L55-M139 HydrophobicContact CD2-CE 3.42Å; L55-M139 VanDerWaalsContact CD2-CE 3.42Å; L55-M139 HydrophobicContact CG-CE 4.34Å; I58-M139 HydrophobicContact CD1-CB 3.84Å; I58-M139 HydrophobicContact CG1-CB 4.16Å; I58-M139 HydrophobicContact CG2-CB 4.01Å; I58-M139 HydrophobicContact CG2-SD 4.01Å; T62-M139 HydrophobicContact CG2-CB 3.76Å; T62-M139 HydrophobicContact CG2-CG 4.02Å; L63-M139 HydrophobicContact CD2-CE 4.25Å; L63-M139 HydrophobicContact CD2-SD 3.74Å; F66-M139 HydrophobicContact CB-CG 4.36Å; F66-M139 HydrophobicContact CB-SD 4.27Å; F66-M139 HydrophobicContact CD1-CG 3.93Å; F66-M139 HydrophobicContact CD2-CG 3.67Å; F66-M139 HydrophobicContact CD2-SD 4.49Å; F66-M139 HydrophobicContact CE1-CG 4.1Å; F66-M139 HydrophobicContact CE2-CB 4.48Å; F66-M139 HydrophobicContact CE2-CG 3.85Å; F66-M139 HydrophobicContact CG-CG 3.71Å; F66-M139 HydrophobicContact CG-SD 4.26Å; F66-M139 HydrophobicContact CZ-CG 4.06Å; V68-M139 HydrophobicContact CG2-SD 4.28Å; F79-M139 HydrophobicContact CE1-CE 3.86Å; E135-M139 HydrophobicContact CB-CE 4.07Å; E135-M139 WeakPolarHBondContact O-CB 3.27Å; E135-M139 WeakPolarHBondContact O-CE 3.21Å; E135-M139 WeakPolarHBondContact O-CG 3.39Å; E135-M139 PolarHBondContact O-N 2.88Å; A136-M139 PolarHBondContact O-N 3.19Å; D137-M139 PolarHBondContact O-N 2.89Å; M139-I141 VanDerWaalsContact C-N 3.34Å; M139-I141 PolarHBondContact O-N 3.39Å; M139-Y142 PolarHBondContact O-N 3.48Å; M139-Q143 VanDerWaalsContact O-CB 3.25Å; M139-Q143 WeakPolarHBondContact O-CB 3.49Å; M139-Q143 PolarHBondContact O-N 3.32Å
140	A	85.5	Confident	82.6	Confident	10 Å²	10	23 Å²	23	8%	0.083	13%	0.133	C	C	.	.	H	α-helix	trans	-62.7	-41.7	176.5	0	0	0	0	0	111.8	I58 A136 D137 A144 L204	I58-A140 HydrophobicContact CD1-CB 4.02Å; A136-A140 VanDerWaalsContact O-CB 3.3Å; A136-A140 WeakPolarHBondContact O-CB 3.17Å; A136-A140 PolarHBondContact O-N 3.48Å; D137-A140 PolarHBondContact O-N 3.42Å; A140-A144 WeakPolarHBondContact O-CB 3.45Å; A140-A144 PolarHBondContact O-N 3.41Å; A140-L204 HydrophobicContact CB-CB 4.46Å
141	I	82	Confident	83	Confident	5 Å²	5	22.5 Å²	22.5	3%	0.026	13%	0.13	C	C	.	.	H	α-helix	trans	-64.5	-48.7	177.2	-71.6	162.2	0	0	0	110.8	V130 T132 D137 A138 M139 Q143 A144 S145 K147 A149 L204 V209 I213	V130-I141 HydrophobicContact CB-CG2 4.15Å; V130-I141 HydrophobicContact CG1-CD1 3.55Å; V130-I141 HydrophobicContact CG1-CG2 4.19Å; V130-I141 HydrophobicContact CG2-CG2 4.07Å; T132-I141 HydrophobicContact CG2-CD1 3.51Å; D137-I141 WeakPolarHBondContact O-CB 3.3Å; D137-I141 WeakPolarHBondContact O-CD1 3.38Å; D137-I141 WeakPolarHBondContact O-CG1 3.22Å; D137-I141 PolarHBondContact O-N 2.99Å; A138-I141 PolarHBondContact O-N 3.47Å; M139-I141 VanDerWaalsContact C-N 3.34Å; M139-I141 PolarHBondContact O-N 3.39Å; I141-Q143 PolarHBondContact O-N 2.69Å; I141-A144 PolarHBondContact O-N 3.44Å; I141-S145 PolarHBondContact O-N 3.25Å; I141-S145 PolarHBondContact O-OG 3.42Å; I141-K147 HydrophobicContact CG2-CB 4.49Å; I141-A149 HydrophobicContact CB-CB 4.14Å; I141-A149 HydrophobicContact CG2-CB 4.03Å; I141-L204 HydrophobicContact CD1-CD1 3.73Å; I141-L204 HydrophobicContact CG1-CD1 3.76Å; I141-V209 HydrophobicContact CB-CG1 4.49Å; I141-V209 HydrophobicContact CG1-CG1 4.17Å; I141-I213 HydrophobicContact CG2-CD1 4.39Å
142	Y	87.9	Confident	82.9	Confident	38 Å²	38	22.8 Å²	22.8	15%	0.149	13%	0.131	C	C	.	.	H	α-helix	trans	-59.5	-46.8	177.8	-179.4	-93.5	0	0	0	111.3	T62 R65 F66 L121 A138 M139 A144 S146 K147 L148	T62-Y142 HydrophobicContact CG2-CD1 4.16Å; R65-Y142 HydrophobicContact CB-CE1 4.17Å; R65-Y142 HydrophobicContact CG-CE1 4.16Å; F66-Y142 AromaticContact CE2-CD1 3.89Å; F66-Y142 HydrophobicContact CE2-CD1 3.89Å; F66-Y142 HydrophobicContact CE2-CD2 4.33Å; F66-Y142 AromaticContact CE2-CG 3.7Å; F66-Y142 HydrophobicContact CE2-CG 3.7Å; F66-Y142 HydrophobicContact CZ-CG 4.29Å; L121-Y142 HydrophobicContact CD1-CE2 4.49Å; A138-Y142 WeakPolarHBondContact O-CB 3.09Å; A138-Y142 PolarHBondContact O-N 2.82Å; M139-Y142 PolarHBondContact O-N 3.48Å; Y142-A144 PolarHBondContact O-N 2.91Å; Y142-S146 WeakPolarHBondContact O-CA 3.37Å; Y142-S146 PolarHBondContact O-N 2.95Å; Y142-K147 WeakPolarHBondContact CA-O 3.41Å; Y142-L148 HydrophobicContact CE2-CD2 4.29Å
143	Q	89.1	Confident	82.5	Confident	42 Å²	42	23.2 Å²	23.2	20%	0.196	13%	0.134	C	C	.	.	H	α-helix	trans	-66.3	-36.4	179.7	-174.6	174.5	-64.2	0	0	113.3	H57 T59 T62 M139 I141	H57-Q143 PolarHBondContact O-NE2 2.96Å; T59-Q143 PolarHBondContact OG1-OE1 2.99Å; T62-Q143 HydrophobicContact CG2-CB 4.37Å; T62-Q143 PolarHBondContact OG1-OE1 3.05Å; M139-Q143 VanDerWaalsContact O-CB 3.25Å; M139-Q143 WeakPolarHBondContact O-CB 3.49Å; M139-Q143 PolarHBondContact O-N 3.32Å; I141-Q143 PolarHBondContact O-N 2.69Å
144	A	84.3	Confident	81.9	Confident	21 Å²	21	25 Å²	25	17%	0.174	14%	0.141	C	C	.	.	H	α-helix	trans	-80.3	-33.8	-176.2	0	0	0	0	0	113.4	A140 I141 Y142 R206 V209	A140-A144 WeakPolarHBondContact O-CB 3.45Å; A140-A144 PolarHBondContact O-N 3.41Å; I141-A144 PolarHBondContact O-N 3.44Å; Y142-A144 PolarHBondContact O-N 2.91Å; A144-R206 HydrophobicContact CB-CB 4.41Å; A144-R206 HydrophobicContact CB-CG 3.78Å; A144-V209 HydrophobicContact CB-CB 3.7Å; A144-V209 HydrophobicContact CB-CG1 3.87Å; A144-V209 HydrophobicContact CB-CG2 3.8Å
145	S	79.6	Confident	80.7	Confident	32 Å²	32	25.8 Å²	25.8	22%	0.224	15%	0.147	C	C	.	.	H	α-helix	trans	-126.5	-6.2	-167.4	69.4	0	0	0	0	114.6	I141 K147	I141-S145 PolarHBondContact O-N 3.25Å; I141-S145 PolarHBondContact O-OG 3.42Å; S145-K147 PolarHBondContact O-N 2.71Å; S145-K147 WeakPolarHBondContact OG-CB 3.2Å; S145-K147 WeakPolarHBondContact OG-CG 3.18Å; S145-K147 PolarHBondContact OG-N 3.46Å
146	S	84.4	Confident	78.6	Confident	102 Å²	102	33 Å²	33	71%	0.713	18%	0.181	S	C	*	.			trans	55.7	11.3	-168.9	-55.7	0	0	0	0	114.4	Y142	Y142-S146 WeakPolarHBondContact O-CA 3.37Å; Y142-S146 PolarHBondContact O-N 2.95Å
147	K	80.7	Confident	76.4	Confident	57 Å²	57	37 Å²	37	25%	0.248	21%	0.214	C	C	.	.			trans	-76.4	140.7	173.1	-63.8	-161.3	-179.3	-158.7	0	110.1	E128 V130 I141 Y142 S145 A149 I213	E128-K147 IonicContact OE2-NZ 3.14Å; E128-K147 PolarHBondContact OE2-NZ 3Å; V130-K147 HydrophobicContact CG2-CB 4.45Å; I141-K147 HydrophobicContact CG2-CB 4.49Å; Y142-K147 WeakPolarHBondContact CA-O 3.41Å; S145-K147 PolarHBondContact O-N 2.71Å; S145-K147 WeakPolarHBondContact OG-CB 3.2Å; S145-K147 WeakPolarHBondContact OG-CG 3.18Å; S145-K147 PolarHBondContact OG-N 3.46Å; K147-A149 PolarHBondContact O-N 2.93Å; K147-I213 HydrophobicContact CD-CD1 4.25Å; K147-I213 HydrophobicContact CD-CG2 4.46Å
148	L	85.5	Confident	74.6	Confident	22 Å²	22	43.4 Å²	43.4	12%	0.115	24%	0.243	C	C	.	.			trans	-66.1	131.5	175.7	-67.1	171	0	0	0	109.9	L121 D126 V129 V130 Y142	L121-L148 HydrophobicContact CB-CD2 3.75Å; D126-L148 HydrophobicContact CB-CD1 3.9Å; D126-L148 WeakPolarHBondContact OD2-CD1 3.12Å; V129-L148 HydrophobicContact CG2-CB 4.23Å; V130-L148 PolarHBondContact N-O 3.15Å; Y142-L148 HydrophobicContact CE2-CD2 4.29Å
149	A	84.5	Confident	72.7	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.008	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	131.2	178.2	0	0	0	0	0	109.9	V130 A138 I141 K147	V130-A149 HydrophobicContact CB-CB 4.19Å; V130-A149 CarbonylContact O-C 3.58Å; V130-A149 WeakPolarHBondContact O-CA 2.96Å; A138-A149 HydrophobicContact CB-CB 3.84Å; A138-A149 VanDerWaalsContact O-CB 3.31Å; A138-A149 WeakPolarHBondContact O-CB 3.49Å; I141-A149 HydrophobicContact CB-CB 4.14Å; I141-A149 HydrophobicContact CG2-CB 4.03Å; K147-A149 PolarHBondContact O-N 2.93Å
150	I	86.3	Confident	70.6	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	154.1	178.4	70.7	-177.3	0	0	0	110.4	M116 S117 Y119 V122 V129 V130 V131 T132 L168	M116-I150 HydrophobicContact CE-CD1 4.16Å; M116-I150 HydrophobicContact SD-CD1 3.66Å; M116-I150 HydrophobicContact SD-CG1 4.44Å; S117-I150 CarbonylContact O-C 3.59Å; S117-I150 WeakPolarHBondContact O-CA 3.48Å; S117-I150 WeakPolarHBondContact O-CB 3.29Å; Y119-I150 HydrophobicContact CD2-CD1 4.36Å; V122-I150 HydrophobicContact CG2-CG2 3.83Å; V129-I150 HydrophobicContact CG1-CB 4.48Å; V129-I150 HydrophobicContact CG1-CD1 4.04Å; V129-I150 HydrophobicContact CG1-CG1 4Å; V129-I150 HydrophobicContact CG1-CG2 3.89Å; V130-I150 PolarHBondContact O-N 3.24Å; V131-I150 CarbonylContact C-O 3.5Å; V131-I150 VanDerWaalsContact CA-O 3.23Å; V131-I150 WeakPolarHBondContact CA-O 3.27Å; V131-I150 HydrophobicContact CB-CG1 4.19Å; V131-I150 HydrophobicContact CG2-CD1 3.48Å; V131-I150 VanDerWaalsContact CG2-CD1 3.48Å; V131-I150 HydrophobicContact CG2-CG1 3.22Å; T132-I150 PolarHBondContact N-O 3.49Å; T132-I150 PolarHBondContact OG1-O 2.88Å; I150-L168 HydrophobicContact CD1-CD2 3.91Å
151	V	83.4	Confident	68.8	Low	1 Å²	1	48.7 Å²	48.7	1%	0.006	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	125.6	-179.7	-169.9	0	0	0	0	109.3	M116 S117 E135 A138	M116-V151 WeakPolarHBondContact CA-O 3.42Å; M116-V151 WeakPolarHBondContact CB-O 3.5Å; S117-V151 PolarHBondContact N-O 2.66Å; S117-V151 PolarHBondContact O-N 3.5Å; E135-V151 HydrophobicContact CB-CG2 4.41Å; E135-V151 HydrophobicContact CG-CG2 4.09Å; A138-V151 HydrophobicContact CB-CG2 3.61Å
152	L	74.3	Confident	67.1	Low	12 Å²	12	52 Å²	52	6%	0.063	31%	0.308	C	S	.	.			trans	-71.1	144.6	172.8	-78.2	171.5	0	0	0	110.9	M116 V131 T132 E154 F182	M116-L152 HydrophobicContact SD-CD2 4.17Å; V131-L152 HydrophobicContact CG1-CB 4.47Å; V131-L152 HydrophobicContact CG1-CD1 3.38Å; V131-L152 HydrophobicContact CG1-CD2 4.45Å; V131-L152 HydrophobicContact CG1-CG 3.47Å; V131-L152 VanDerWaalsContact CG1-CG 3.47Å; T132-L152 PolarHBondContact O-N 3.35Å; L152-E154 PolarHBondContact O-N 3.47Å; L152-F182 HydrophobicContact CD1-CE2 3.44Å; L152-F182 VanDerWaalsContact CD1-CE2 3.44Å; L152-F182 HydrophobicContact CD1-CZ 3.62Å
153	P	67.3	Low	65.4	Low	10 Å²	10	56 Å²	56	7%	0.065	33%	0.332	C	S	.	.			trans	-66.8	128.9	175.1	26.9	-32.2	0	0	0	111	R81 T155 F164	R81-P153 VanDerWaalsContact NH1-CA 3.27Å; R81-P153 VanDerWaalsContact NH1-CB 3.26Å; P153-T155 PolarHBondContact O-N 2.82Å; P153-T155 VanDerWaalsContact O-N 3.1Å; P153-F164 HydrophobicContact CG-CD1 4.42Å; P153-F164 HydrophobicContact CG-CE1 4Å; P153-F164 HydrophobicContact CG-CE2 4.29Å; P153-F164 HydrophobicContact CG-CZ 3.92Å
154	E	62.4	Low	63.8	Low	95 Å²	95	56.3 Å²	56.3	44%	0.444	33%	0.333	S	S	.	.			trans	-76.3	91.4	175.3	-162.6	169	-160.5	0	0	109.5	F113 L152 H156	F113-E154 WeakPolarHBondContact CZ-O 3.45Å; L152-E154 PolarHBondContact O-N 3.47Å; E154-H156 IonicContact OE1-CE1 2.75Å
155	T	53.4	Low	62.6	Low	62 Å²	62	57 Å²	57	38%	0.38	33%	0.333	S	S	.	.			trans	-94.4	103.3	169.2	41.2	0	0	0	0	108.9	P153 A157 Q158	P153-T155 PolarHBondContact O-N 2.82Å; P153-T155 VanDerWaalsContact O-N 3.1Å; T155-A157 PolarHBondContact O-N 3.05Å; T155-Q158 PolarHBondContact O-N 3.04Å; T155-Q158 PolarHBondContact OG1-O 2.76Å
156	H	41.2	Very low	61.4	Low	162 Å²	162	58.4 Å²	58.4	75%	0.75	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	11.6	-174.5	-77	-68.9	0	0	0	117.2	E154	E154-H156 IonicContact OE1-CE1 2.75Å
157	A	37.9	Very low	60.1	Low	96 Å²	96	56.5 Å²	56.5	79%	0.793	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-144.7	-9.1	179.8	0	0	0	0	0	115.2	T155	T155-A157 PolarHBondContact O-N 3.05Å
158	Q	42.4	Very low	59.1	Low	143 Å²	143	54.3 Å²	54.3	67%	0.668	31%	0.314	S	S	*	.	S	Bend	trans	-148.6	120.9	178.3	-73.6	-179.6	-19.7	0	0	108.7	T155 C160	T155-Q158 PolarHBondContact O-N 3.04Å; T155-Q158 PolarHBondContact OG1-O 2.76Å; Q158-C160 PolarHBondContact O-N 3.1Å
159	P	45.1	Very low	57.4	Low	64 Å²	64	56.9 Å²	56.9	42%	0.416	33%	0.334	S	S	.	.	S	Bend	trans	-58	117.6	165.2	26.2	-31	0	0	0	106.1	G161 P183 S186	P159-G161 PolarHBondContact O-N 3.24Å; P159-P183 HydrophobicContact CB-CG 4.05Å; P159-P183 HydrophobicContact CG-CG 4.12Å; P159-S186 WeakPolarHBondContact CB-OG 3.5Å; P159-S186 VanDerWaalsContact CG-OG 3.29Å; P159-S186 WeakPolarHBondContact CG-OG 3.18Å
160	C	46.2	Very low	55.7	Low	14 Å²	14	61.5 Å²	61.5	10%	0.095	36%	0.364	C	S	.	.			trans	-33.5	113	-168.7	-103.8	0	0	0	0	112.6	Q158 F164	Q158-C160 PolarHBondContact O-N 3.1Å; C160-F164 HydrophobicContact CB-CB 4.4Å; C160-F164 HydrophobicContact CB-CD2 3.83Å; C160-F164 HydrophobicContact CB-CG 4.39Å; C160-F164 WeakPolarHBondContact SG-CD2 3.37Å; C160-F164 WeakPolarHBondContact SG-CE2 3.39Å
161	G	46.2	Very low	53.9	Low	44 Å²	44	62.3 Å²	62.3	45%	0.454	37%	0.368	S	S	.	.			trans	-54.9	161.2	176.7	0	0	0	0	0	111.8	P159 N163 F164	P159-G161 PolarHBondContact O-N 3.24Å; G161-N163 PolarHBondContact O-N 3.12Å; G161-F164 PolarHBondContact O-N 2.79Å
162	S	47.8	Very low	51.9	Low	74 Å²	74	73.3 Å²	73.3	52%	0.517	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-28.7	-23.9	180	48.5	0	0	0	0	118.3	F164 S166	S162-F164 PolarHBondContact O-N 3.02Å; S162-S166 PolarHBondContact O-N 3.46Å
163	N	50.9	Low	50.4	Low	122 Å²	122	73 Å²	73	65%	0.652	41%	0.409	S	S	*	.	H	α-helix	trans	-73.7	-19.5	-176.1	-64.4	-11.2	0	0	0	115.6	G161 S166	G161-N163 PolarHBondContact O-N 3.12Å; N163-S166 PolarHBondContact O-OG 3.05Å
164	F	56.6	Low	49.1	Very low	48 Å²	48	75 Å²	75	21%	0.211	42%	0.421	C	S	.	.	H	α-helix	trans	-87.9	-33.3	175.5	-78.7	-84.7	0	0	0	112.4	P153 C160 G161 S162 S166 L167	P153-F164 HydrophobicContact CG-CD1 4.42Å; P153-F164 HydrophobicContact CG-CE1 4Å; P153-F164 HydrophobicContact CG-CE2 4.29Å; P153-F164 HydrophobicContact CG-CZ 3.92Å; C160-F164 HydrophobicContact CB-CB 4.4Å; C160-F164 HydrophobicContact CB-CD2 3.83Å; C160-F164 HydrophobicContact CB-CG 4.39Å; C160-F164 WeakPolarHBondContact SG-CD2 3.37Å; C160-F164 WeakPolarHBondContact SG-CE2 3.39Å; G161-F164 PolarHBondContact O-N 2.79Å; S162-F164 PolarHBondContact O-N 3.02Å; F164-S166 PolarHBondContact O-N 3.34Å; F164-L167 HydrophobicContact CD1-CD1 3.98Å; F164-L167 HydrophobicContact CE1-CD1 4.39Å; F164-L167 WeakPolarHBondContact O-CB 3.38Å; F164-L167 PolarHBondContact O-N 3.35Å; F164-L167 VanDerWaalsContact O-N 3.14Å
165	F	57.7	Low	48.3	Very low	37 Å²	37	71 Å²	71	16%	0.162	40%	0.404	C	S	.	.	H	α-helix	trans	-68.3	-25.4	172.3	-68.9	-73.1	0	0	0	111.9	L167 L168 S169 L187 V189	F165-L167 VanDerWaalsContact C-N 3.3Å; F165-L167 PolarHBondContact O-N 2.84Å; F165-L168 HydrophobicContact CD1-CD1 4.23Å; F165-L168 CarbonylContact O-C 3.58Å; F165-L168 WeakPolarHBondContact O-CA 3.26Å; F165-L168 WeakPolarHBondContact O-CB 3.28Å; F165-L168 PolarHBondContact O-N 3.41Å; F165-S169 PolarHBondContact O-N 2.81Å; F165-L187 HydrophobicContact CZ-CG 4.46Å; F165-V189 HydrophobicContact CD1-CG2 3.7Å; F165-V189 HydrophobicContact CD2-CG2 4.47Å; F165-V189 HydrophobicContact CE1-CG2 3.68Å; F165-V189 HydrophobicContact CE2-CG2 4.45Å; F165-V189 HydrophobicContact CG-CG2 4.11Å; F165-V189 HydrophobicContact CZ-CG2 4.08Å
166	S	55.7	Low	48.1	Very low	61 Å²	61	70.5 Å²	70.5	43%	0.427	40%	0.396	S	S	.	.	H	α-helix	trans	-66.1	-29.5	170.9	67.5	0	0	0	0	112.9	S162 N163 F164 L168 S169	S162-S166 PolarHBondContact O-N 3.46Å; N163-S166 PolarHBondContact O-OG 3.05Å; F164-S166 PolarHBondContact O-N 3.34Å; S166-L168 PolarHBondContact O-N 2.85Å; S166-S169 VanDerWaalsContact O-CB 3.24Å; S166-S169 WeakPolarHBondContact O-CB 2.91Å; S166-S169 PolarHBondContact O-N 2.63Å; S166-S169 VanDerWaalsContact O-N 3.13Å; S166-S169 PolarHBondContact O-OG 2.73Å
167	L	56.4	Low	48.6	Very low	61 Å²	61	63.3 Å²	63.3	32%	0.319	36%	0.364	S	S	.	.	H	α-helix	trans	-69.4	-19.4	170.8	-64.4	168.7	0	0	0	112.8	Y119 F164 F165	Y119-L167 PolarHBondContact OH-O 3.23Å; Y119-L167 VanDerWaalsContact OH-O 3.05Å; F164-L167 HydrophobicContact CD1-CD1 3.98Å; F164-L167 HydrophobicContact CE1-CD1 4.39Å; F164-L167 WeakPolarHBondContact O-CB 3.38Å; F164-L167 PolarHBondContact O-N 3.35Å; F164-L167 VanDerWaalsContact O-N 3.14Å; F165-L167 VanDerWaalsContact C-N 3.3Å; F165-L167 PolarHBondContact O-N 2.84Å
168	L	58.8	Low	49.3	Very low	11 Å²	11	59.1 Å²	59.1	6%	0.058	33%	0.329	C	S	.	.	H	α-helix	trans	-94.8	-10.1	172.6	-59.4	176.3	0	0	0	112.5	M116 Y119 I150 F165 S166 F171 L173	M116-L168 HydrophobicContact CE-CD2 4.37Å; Y119-L168 HydrophobicContact CE2-CD2 4.16Å; I150-L168 HydrophobicContact CD1-CD2 3.91Å; F165-L168 HydrophobicContact CD1-CD1 4.23Å; F165-L168 CarbonylContact O-C 3.58Å; F165-L168 WeakPolarHBondContact O-CA 3.26Å; F165-L168 WeakPolarHBondContact O-CB 3.28Å; F165-L168 PolarHBondContact O-N 3.41Å; S166-L168 PolarHBondContact O-N 2.85Å; L168-F171 PolarHBondContact O-N 3.34Å; L168-L173 HydrophobicContact CD2-CD2 4.49Å
169	S	51.4	Low	49.7	Very low	76 Å²	76	53 Å²	53	53%	0.531	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-25.3	-177.7	73.8	0	0	0	0	117	F165 S166 F171	F165-S169 PolarHBondContact O-N 2.81Å; S166-S169 VanDerWaalsContact O-CB 3.24Å; S166-S169 WeakPolarHBondContact O-CB 2.91Å; S166-S169 PolarHBondContact O-N 2.63Å; S166-S169 VanDerWaalsContact O-N 3.13Å; S166-S169 PolarHBondContact O-OG 2.73Å; S169-F171 PolarHBondContact O-N 2.8Å; S169-F171 VanDerWaalsContact O-N 3.1Å
170	P	49.2	Very low	49.7	Very low	98 Å²	98	52.9 Å²	52.9	64%	0.636	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-8.7	177.3	-20.3	32.7	0	0	0	114
171	F	47.8	Very low	49.8	Very low	17 Å²	17	57.7 Å²	57.7	8%	0.075	33%	0.326	C	S	.	.	S	Bend	trans	-109.3	133.4	-174.1	-62.8	-85	0	0	0	110.3	M85 V122 R123 D126 L168 S169 L173	M85-F171 HydrophobicContact CE-CE2 4.19Å; M85-F171 HydrophobicContact CE-CZ 3.77Å; M85-F171 HydrophobicContact SD-CE2 3.94Å; M85-F171 HydrophobicContact SD-CZ 3.46Å; M85-F171 WeakPolarHBondContact SD-CZ 3.38Å; V122-F171 HydrophobicContact CG1-CZ 4.19Å; R123-F171 VanDerWaalsContact O-CE1 3.3Å; R123-F171 WeakPolarHBondContact O-CE1 3.41Å; D126-F171 WeakPolarHBondContact O-CD1 3.36Å; L168-F171 PolarHBondContact O-N 3.34Å; S169-F171 PolarHBondContact O-N 2.8Å; S169-F171 VanDerWaalsContact O-N 3.1Å; F171-L173 HydrophobicContact CB-CB 3.68Å; F171-L173 HydrophobicContact CB-CD1 3.26Å; F171-L173 HydrophobicContact CB-CG 4.01Å; F171-L173 HydrophobicContact CD1-CD1 3.75Å; F171-L173 HydrophobicContact CD2-CD1 4.25Å; F171-L173 HydrophobicContact CG-CD1 3.5Å; F171-L173 PolarHBondContact O-N 3.16Å
172	Y	41	Very low	50.2	Low	233 Å²	233	57.1 Å²	57.1	91%	0.914	31%	0.311	S	S	*	.			trans	-66.3	53.3	151	-73.5	-87.6	0	0	0	109.1	T174	Y172-T174 PolarHBondContact O-N 2.72Å
173	L	42.4	Very low	50.5	Low	4 Å²	4	56.7 Å²	56.7	2%	0.021	31%	0.307	C	S	.	.			trans	-73.4	105.6	-178	-131.7	79.5	0	0	0	105.8	S127 V129 L168 F171 S175	S127-L173 WeakPolarHBondContact O-CA 3.43Å; V129-L173 HydrophobicContact CB-CD1 4.48Å; V129-L173 HydrophobicContact CB-CD2 3.53Å; V129-L173 HydrophobicContact CB-CG 4.23Å; V129-L173 HydrophobicContact CG2-CD1 3.91Å; V129-L173 HydrophobicContact CG2-CD2 3.79Å; V129-L173 HydrophobicContact CG2-CG 4.2Å; L168-L173 HydrophobicContact CD2-CD2 4.49Å; F171-L173 HydrophobicContact CB-CB 3.68Å; F171-L173 HydrophobicContact CB-CD1 3.26Å; F171-L173 HydrophobicContact CB-CG 4.01Å; F171-L173 HydrophobicContact CD1-CD1 3.75Å; F171-L173 HydrophobicContact CD2-CD1 4.25Å; F171-L173 HydrophobicContact CG-CD1 3.5Å; F171-L173 PolarHBondContact O-N 3.16Å; L173-S175 PolarHBondContact O-N 3.36Å
174	T	40	Very low	50.6	Low	53 Å²	53	58.2 Å²	58.2	33%	0.325	31%	0.308	S	S	.	.			trans	-61.8	85.5	153.9	25	0	0	0	0	107.2	S127 E128 Y172 K176 T192	S127-T174 PolarHBondContact O-N 3.48Å; S127-T174 PolarHBondContact O-OG1 3.45Å; S127-T174 VanDerWaalsContact O-OG1 3.09Å; E128-T174 WeakPolarHBondContact CG-OG1 3.34Å; Y172-T174 PolarHBondContact O-N 2.72Å; T174-K176 PolarHBondContact O-N 3.29Å; T174-K176 VanDerWaalsContact O-N 3.11Å; T174-T192 WeakPolarHBondContact CG2-OG1 3.38Å
175	S	47.2	Very low	50.5	Low	12 Å²	12	61.4 Å²	61.4	8%	0.084	33%	0.327	C	S	.	.			trans	-72.4	99.2	-179.7	52.3	0	0	0	0	109.5	L173 I177 A193 T194	L173-S175 PolarHBondContact O-N 3.36Å; S175-I177 VanDerWaalsContact C-N 3.34Å; S175-I177 VanDerWaalsContact CB-CD1 3.49Å; S175-I177 PolarHBondContact O-N 2.91Å; S175-I177 VanDerWaalsContact O-N 3.13Å; S175-A193 VanDerWaalsContact O-CA 3.27Å; S175-A193 WeakPolarHBondContact O-CA 3.33Å; S175-T194 PolarHBondContact O-N 3.14Å; S175-T194 VanDerWaalsContact O-N 3.15Å
176	K	48.1	Very low	50.2	Low	50 Å²	50	61 Å²	61	22%	0.217	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-81.4	82.3	167.5	-72.8	178.7	176.2	145	0	109	E128 T174 T194 I213	E128-K176 IonicContact OE1-NZ 3.49Å; E128-K176 PolarHBondContact OE1-NZ 2.95Å; E128-K176 IonicContact OE2-NZ 3.59Å; E128-K176 PolarHBondContact OE2-NZ 2.64Å; T174-K176 PolarHBondContact O-N 3.29Å; T174-K176 VanDerWaalsContact O-N 3.11Å; K176-T194 CarbonylContact C-O 3.56Å; K176-I213 HydrophobicContact CD-CG2 4.34Å
177	I	52.7	Low	50.1	Low	12 Å²	12	59.7 Å²	59.7	6%	0.062	32%	0.316	C	S	.	.			trans	-144	102.8	-161.5	-59.1	-175	0	0	0	110.4	V129 V131 S175 T194	V129-I177 WeakPolarHBondContact O-CD1 3.33Å; V129-I177 WeakPolarHBondContact O-CG1 3.23Å; V131-I177 HydrophobicContact CB-CB 3.91Å; V131-I177 HydrophobicContact CB-CD1 3.28Å; V131-I177 HydrophobicContact CB-CG1 3.63Å; V131-I177 HydrophobicContact CB-CG2 3.21Å; V131-I177 HydrophobicContact CG1-CD1 4.49Å; V131-I177 HydrophobicContact CG1-CG2 3.36Å; V131-I177 HydrophobicContact CG2-CD1 3.18Å; V131-I177 HydrophobicContact CG2-CG1 4.12Å; V131-I177 HydrophobicContact CG2-CG2 4.17Å; S175-I177 VanDerWaalsContact C-N 3.34Å; S175-I177 VanDerWaalsContact CB-CD1 3.49Å; S175-I177 PolarHBondContact O-N 2.91Å; S175-I177 VanDerWaalsContact O-N 3.13Å; I177-T194 CarbonylContact C-O 3.57Å; I177-T194 PolarHBondContact N-O 3.26Å
178	A	52.3	Low	49.8	Very low	8 Å²	8	64.7 Å²	64.7	7%	0.066	34%	0.338	C	S	.	.				168.8	131.7	113	0	0	0	0	0	108.6	F182 I195 V196	A178-F182 HydrophobicContact CB-CB 3.91Å; A178-F182 HydrophobicContact CB-CD2 4.43Å; A178-F182 HydrophobicContact CB-CG 4.36Å; A178-I195 HydrophobicContact CB-CG1 4.26Å; A178-V196 CarbonylContact O-C 3.46Å; A178-V196 PolarHBondContact O-N 3Å; A178-V196 VanDerWaalsContact O-O 3.07Å
179	L	50.8	Low	49.4	Very low	15 Å²	15	65.5 Å²	65.5	8%	0.079	34%	0.344	C	S	.	.			trans	-80.2	116.1	171.6	-65.4	162.4	0	0	0	108.8	T132 D137 N181 V196 P198 L204	T132-L179 HydrophobicContact CG2-CD1 4.19Å; D137-L179 HydrophobicContact CB-CD1 3.67Å; D137-L179 WeakPolarHBondContact OD2-CD1 3.45Å; L179-N181 VanDerWaalsContact C-N 3.26Å; L179-N181 PolarHBondContact O-N 3.37Å; L179-V196 WeakPolarHBondContact CA-O 3.44Å; L179-V196 WeakPolarHBondContact CD2-O 3.47Å; L179-P198 HydrophobicContact CD2-CG 3.64Å; L179-L204 HydrophobicContact CD1-CD1 3.62Å; L179-L204 HydrophobicContact CD1-CG 4.29Å; L179-L204 HydrophobicContact CD2-CD1 3.77Å; L179-L204 HydrophobicContact CD2-CD2 4.24Å; L179-L204 HydrophobicContact CD2-CG 4.17Å; L179-L204 HydrophobicContact CG-CD1 4.34Å
180	S	43.9	Very low	49	Very low	61 Å²	61	70 Å²	70	43%	0.427	36%	0.362	S	S	.	.	S	Bend	trans	28.7	-9.4	168.4	73.7	0	0	0	0	124.2	S197	S180-S197 WeakPolarHBondContact CB-OG 3.3Å
181	N	49.8	Very low	49.1	Very low	114 Å²	114	68.2 Å²	68.2	61%	0.61	35%	0.346	S	S	*	.			trans	-125.4	11.1	-171.6	-64.1	-11.5	0	0	0	114.4	L133 L179	L133-N181 HydrophobicContact CD1-CB 3.8Å; L179-N181 VanDerWaalsContact C-N 3.26Å; L179-N181 PolarHBondContact O-N 3.37Å
182	F	54.6	Low	49.4	Very low	32 Å²	32	71.9 Å²	71.9	14%	0.14	37%	0.369	C	S	.	.	S	Bend	trans	-80.1	129.8	177	-130.8	-91	0	0	0	110.9	L133 L152 A178 K184 L187	L133-F182 HydrophobicContact CD2-CD2 3.81Å; L133-F182 HydrophobicContact CD2-CE2 3.8Å; L152-F182 HydrophobicContact CD1-CE2 3.44Å; L152-F182 VanDerWaalsContact CD1-CE2 3.44Å; L152-F182 HydrophobicContact CD1-CZ 3.62Å; A178-F182 HydrophobicContact CB-CB 3.91Å; A178-F182 HydrophobicContact CB-CD2 4.43Å; A178-F182 HydrophobicContact CB-CG 4.36Å; F182-K184 PolarHBondContact O-N 2.89Å; F182-L187 HydrophobicContact CD1-CD1 3.65Å; F182-L187 HydrophobicContact CE1-CD1 4.25Å; F182-L187 HydrophobicContact CG-CD1 4.42Å
183	P	52.8	Low	50.1	Low	65 Å²	65	61 Å²	61	42%	0.422	33%	0.327	S	S	.	.			trans	-66.3	113.1	172.6	-1.6	13.6	0	0	0	108	P159 D185 S186	P159-P183 HydrophobicContact CB-CG 4.05Å; P159-P183 HydrophobicContact CG-CG 4.12Å; P183-D185 PolarHBondContact O-N 3.44Å; P183-S186 WeakPolarHBondContact CB-OG 3.4Å; P183-S186 WeakPolarHBondContact CG-OG 3.15Å; P183-S186 WeakPolarHBondContact O-CB 3.32Å; P183-S186 PolarHBondContact O-N 2.86Å; P183-S186 PolarHBondContact O-OG 3.1Å
184	K	54.4	Low	50.6	Low	155 Å²	155	61.8 Å²	61.8	67%	0.674	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-50.3	-30.9	-178.5	-65.4	-176.3	178.8	-176.1	0	112.6	F182 S186	F182-K184 PolarHBondContact O-N 2.89Å; K184-S186 PolarHBondContact O-N 2.99Å
185	D	54.1	Low	51.4	Low	114 Å²	114	60.7 Å²	60.7	61%	0.61	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-71.6	-11.3	-178.8	-63.8	-16.4	0	0	0	113.6	P183 K222	P183-D185 PolarHBondContact O-N 3.44Å; D185-K222 WeakPolarHBondContact OD1-CD 3.38Å; D185-K222 IonicContact OD1-NZ 3.78Å; D185-K222 PolarHBondContact OD1-NZ 3.43Å; D185-K222 VanDerWaalsContact OD1-NZ 3.09Å; D185-K222 IonicContact OD2-NZ 2.86Å; D185-K222 PolarHBondContact OD2-NZ 3.09Å; D185-K222 VanDerWaalsContact OD2-NZ 3.08Å
186	S	51.3	Low	51.9	Low	28 Å²	28	60.8 Å²	60.8	20%	0.196	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-92.9	-13.6	-176.4	-23.2	0	0	0	0	114	P159 P183 K184 Q188	P159-S186 WeakPolarHBondContact CB-OG 3.5Å; P159-S186 VanDerWaalsContact CG-OG 3.29Å; P159-S186 WeakPolarHBondContact CG-OG 3.18Å; P183-S186 WeakPolarHBondContact CB-OG 3.4Å; P183-S186 WeakPolarHBondContact CG-OG 3.15Å; P183-S186 WeakPolarHBondContact O-CB 3.32Å; P183-S186 PolarHBondContact O-N 2.86Å; P183-S186 PolarHBondContact O-OG 3.1Å; K184-S186 PolarHBondContact O-N 2.99Å; S186-Q188 PolarHBondContact O-N 3.36Å; S186-Q188 VanDerWaalsContact O-N 3.12Å
187	L	53	Low	52.1	Low	34 Å²	34	61.4 Å²	61.4	18%	0.178	34%	0.335	C	S	.	.			trans	-82.3	87.2	177.6	-82.1	101.8	0	0	0	109.7	F165 F182 V189 A193 I219	F165-L187 HydrophobicContact CZ-CG 4.46Å; F182-L187 HydrophobicContact CD1-CD1 3.65Å; F182-L187 HydrophobicContact CE1-CD1 4.25Å; F182-L187 HydrophobicContact CG-CD1 4.42Å; L187-V189 HydrophobicContact CB-CB 4.47Å; L187-V189 HydrophobicContact CB-CG2 3.94Å; L187-V189 HydrophobicContact CD2-CB 4.32Å; L187-V189 HydrophobicContact CD2-CG2 3.74Å; L187-V189 HydrophobicContact CG-CG2 4.01Å; L187-V189 PolarHBondContact O-N 2.87Å; L187-A193 HydrophobicContact CD2-CB 4.25Å; L187-I219 HydrophobicContact CD2-CD1 4.04Å
188	Q	50.5	Low	52.1	Low	167 Å²	167	61.5 Å²	61.5	78%	0.78	34%	0.337	S	S	*	.			trans	-76.9	46.4	159.3	-71.4	-170.3	-11.1	0	0	110.8	S186	S186-Q188 PolarHBondContact O-N 3.36Å; S186-Q188 VanDerWaalsContact O-N 3.12Å
189	V	50.2	Low	52	Low	28 Å²	28	70.8 Å²	70.8	17%	0.17	38%	0.375	C	S	.	.			trans	-94.8	110.2	-173.6	-172	0	0	0	0	108.3	F165 L187 M191	F165-V189 HydrophobicContact CD1-CG2 3.7Å; F165-V189 HydrophobicContact CD2-CG2 4.47Å; F165-V189 HydrophobicContact CE1-CG2 3.68Å; F165-V189 HydrophobicContact CE2-CG2 4.45Å; F165-V189 HydrophobicContact CG-CG2 4.11Å; F165-V189 HydrophobicContact CZ-CG2 4.08Å; L187-V189 HydrophobicContact CB-CB 4.47Å; L187-V189 HydrophobicContact CB-CG2 3.94Å; L187-V189 HydrophobicContact CD2-CB 4.32Å; L187-V189 HydrophobicContact CD2-CG2 3.74Å; L187-V189 HydrophobicContact CG-CG2 4.01Å; L187-V189 PolarHBondContact O-N 2.87Å; V189-M191 HydrophobicContact CG1-CB 3.64Å; V189-M191 HydrophobicContact CG1-CE 4.28Å; V189-M191 HydrophobicContact CG1-CG 3.8Å; V189-M191 HydrophobicContact CG1-SD 4.29Å; V189-M191 PolarHBondContact O-N 3.48Å
190	N	43.8	Very low	51.4	Low	171 Å²	171	76.3 Å²	76.3	91%	0.914	41%	0.41	S	S	*	.			trans	-66.2	29.5	169.6	-85.4	-14.1	0	0	0	113
191	M	51.5	Low	51.3	Low	60 Å²	60	75 Å²	75	30%	0.296	40%	0.401	S	S	.	.	S	Bend	trans	-137.8	151.9	-171	-47.6	-179.5	-141.6	0	0	111.3	V189 A193	V189-M191 HydrophobicContact CG1-CB 3.64Å; V189-M191 HydrophobicContact CG1-CE 4.28Å; V189-M191 HydrophobicContact CG1-CG 3.8Å; V189-M191 HydrophobicContact CG1-SD 4.29Å; V189-M191 PolarHBondContact O-N 3.48Å; M191-A193 VanDerWaalsContact C-N 3.27Å; M191-A193 PolarHBondContact O-N 3.13Å
192	T	53.4	Low	51.4	Low	93 Å²	93	76.1 Å²	76.1	57%	0.571	41%	0.407	S	S	*	.			trans	-63.1	83.5	174.4	49.1	0	0	0	0	110.4	T174	T174-T192 WeakPolarHBondContact CG2-OG1 3.38Å
193	A	54.9	Low	51.4	Low	4 Å²	4	77.1 Å²	77.1	3%	0.033	41%	0.414	C	S	.	.			trans	-87	138.4	175.5	0	0	0	0	0	110.8	S175 L187 M191 I219	S175-A193 VanDerWaalsContact O-CA 3.27Å; S175-A193 WeakPolarHBondContact O-CA 3.33Å; L187-A193 HydrophobicContact CD2-CB 4.25Å; M191-A193 VanDerWaalsContact C-N 3.27Å; M191-A193 PolarHBondContact O-N 3.13Å; A193-I219 HydrophobicContact CB-CD1 3.82Å; A193-I219 HydrophobicContact CB-CG1 4.39Å; A193-I219 PolarHBondContact O-N 3.21Å
194	T	54.3	Low	51.8	Low	22 Å²	22	74.5 Å²	74.5	14%	0.135	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	115.5	173.4	-46.9	0	0	0	0	108.7	S175 K176 I177 V196 G216 E217	S175-T194 PolarHBondContact O-N 3.14Å; S175-T194 VanDerWaalsContact O-N 3.15Å; K176-T194 CarbonylContact C-O 3.56Å; I177-T194 CarbonylContact C-O 3.57Å; I177-T194 PolarHBondContact N-O 3.26Å; T194-V196 HydrophobicContact CG2-CG2 4.38Å; T194-G216 VanDerWaalsContact CG2-CA 3.43Å; T194-G216 VanDerWaalsContact CG2-O 3.32Å; T194-G216 WeakPolarHBondContact CG2-O 3.37Å; T194-E217 CarbonylContact C-O 3.58Å; T194-E217 WeakPolarHBondContact CA-O 3.47Å; T194-E217 VanDerWaalsContact CG2-O 3.3Å; T194-E217 WeakPolarHBondContact CG2-O 3.49Å
195	I	55.6	Low	52.1	Low	30 Å²	30	73.7 Å²	73.7	15%	0.154	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	134.1	169.9	-85.8	166.1	0	0	0	107.9	A178 G216 E217 I219	A178-I195 HydrophobicContact CB-CG1 4.26Å; I195-G216 CarbonylContact O-C 3.6Å; I195-G216 WeakPolarHBondContact O-CA 3.36Å; I195-E217 PolarHBondContact N-O 3.2Å; I195-E217 PolarHBondContact O-N 3.2Å; I195-I219 HydrophobicContact CB-CD1 4.3Å; I195-I219 HydrophobicContact CB-CG1 3.91Å; I195-I219 HydrophobicContact CD1-CD1 3.41Å; I195-I219 VanDerWaalsContact CD1-CD1 3.41Å; I195-I219 HydrophobicContact CD1-CG1 3.55Å; I195-I219 HydrophobicContact CD1-CG2 4.42Å; I195-I219 HydrophobicContact CG1-CD1 3.35Å; I195-I219 HydrophobicContact CG1-CG1 3.48Å; I195-I219 VanDerWaalsContact CG1-CG1 3.48Å
196	V	57.2	Low	52.3	Low	13 Å²	13	76.1 Å²	76.1	8%	0.079	39%	0.389	C	S	.	.			trans	-122.9	91.1	-176.5	169.7	0	0	0	0	105	A178 L179 T194 P198 V212	A178-V196 CarbonylContact O-C 3.46Å; A178-V196 PolarHBondContact O-N 3Å; A178-V196 VanDerWaalsContact O-O 3.07Å; L179-V196 WeakPolarHBondContact CA-O 3.44Å; L179-V196 WeakPolarHBondContact CD2-O 3.47Å; T194-V196 HydrophobicContact CG2-CG2 4.38Å; V196-P198 VanDerWaalsContact O-CD 3.27Å; V196-P198 WeakPolarHBondContact O-CD 3.34Å; V196-V212 HydrophobicContact CB-CG1 4.39Å; V196-V212 HydrophobicContact CG1-CB 4.04Å; V196-V212 HydrophobicContact CG1-CG1 2.93Å; V196-V212 WeakPolarHBondContact CG1-O 3.38Å
197	S	54.2	Low	52.7	Low	63 Å²	63	83 Å²	83	44%	0.441	42%	0.419	S	S	.	.			trans	-104.7	101.3	-174.9	-178.2	0	0	0	0	110.9	S180 K199	S180-S197 WeakPolarHBondContact CB-OG 3.3Å; S197-K199 PolarHBondContact O-N 3.45Å
198	P	51.9	Low	53.2	Low	15 Å²	15	85.2 Å²	85.2	10%	0.097	43%	0.43	C	S	.	.			trans	-69.2	113.6	164.9	28.4	-31.1	0	0	0	107.7	L179 V196 T200 L204 V212	L179-P198 HydrophobicContact CD2-CG 3.64Å; V196-P198 VanDerWaalsContact O-CD 3.27Å; V196-P198 WeakPolarHBondContact O-CD 3.34Å; P198-T200 PolarHBondContact O-N 2.89Å; P198-L204 HydrophobicContact CB-CD2 4.31Å; P198-L204 HydrophobicContact CG-CD2 3.96Å; P198-V212 HydrophobicContact CB-CG2 4.16Å
199	K	49.6	Very low	54	Low	202 Å²	202	77.3 Å²	77.3	88%	0.878	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-2.7	177.9	-70.7	-176.2	176.9	176.7	0	114	S197	S197-K199 PolarHBondContact O-N 3.45Å
200	T	38.7	Very low	54.8	Low	131 Å²	131	79.8 Å²	79.8	80%	0.804	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-147	11.6	-158.8	25.8	0	0	0	0	117.7	P198	P198-T200 PolarHBondContact O-N 2.89Å
201	S	42.5	Very low	55.7	Low	35 Å²	35	73 Å²	73	25%	0.245	38%	0.376	C	S	.	.			trans	-157.7	120.3	173.3	62.9	0	0	0	0	115.4	N203	S201-N203 PolarHBondContact O-N 3.07Å; S201-N203 PolarHBondContact OG-O 3.36Å
202	N	50.1	Low	56.2	Low	136 Å²	136	71.3 Å²	71.3	73%	0.727	37%	0.369	S	S	*	.	S	Bend	trans	-66.2	16.3	166.4	-76.8	-12.6	0	0	0	114.2
203	N	56.3	Low	56.7	Low	53 Å²	53	68 Å²	68	28%	0.283	35%	0.348	S	S	.	.	S	Bend	trans	-165.7	108.3	178.3	-79	-55.3	0	0	0	108.1	D137 S201 R205	D137-N203 WeakPolarHBondContact OD1-CA 2.86Å; S201-N203 PolarHBondContact O-N 3.07Å; S201-N203 PolarHBondContact OG-O 3.36Å; N203-R205 PolarHBondContact O-N 3.15Å
204	L	60	Low	57.1	Low	11 Å²	11	78 Å²	78	6%	0.058	39%	0.385	C	S	.	.			trans	-62.2	118.9	179	-75.7	167.9	0	0	0	111	D137 A140 I141 L179 P198 V209 V212	D137-L204 HydrophobicContact CB-CD1 4.39Å; D137-L204 PolarHBondContact OD1-N 2.88Å; A140-L204 HydrophobicContact CB-CB 4.46Å; I141-L204 HydrophobicContact CD1-CD1 3.73Å; I141-L204 HydrophobicContact CG1-CD1 3.76Å; L179-L204 HydrophobicContact CD1-CD1 3.62Å; L179-L204 HydrophobicContact CD1-CG 4.29Å; L179-L204 HydrophobicContact CD2-CD1 3.77Å; L179-L204 HydrophobicContact CD2-CD2 4.24Å; L179-L204 HydrophobicContact CD2-CG 4.17Å; L179-L204 HydrophobicContact CG-CD1 4.34Å; P198-L204 HydrophobicContact CB-CD2 4.31Å; P198-L204 HydrophobicContact CG-CD2 3.96Å; L204-V209 HydrophobicContact CB-CG2 4.11Å; L204-V212 HydrophobicContact CD2-CB 4.43Å; L204-V212 HydrophobicContact CD2-CG1 3.94Å; L204-V212 HydrophobicContact CD2-CG2 4.19Å
205	R	61.1	Low	57.4	Low	137 Å²	137	84.3 Å²	84.3	52%	0.517	41%	0.412	S	S	.	.			trans	-76.2	144.8	165.5	-64.4	-173.1	-176.1	-171.2	3.1	109.3	N203 E207 L208 V209	N203-R205 PolarHBondContact O-N 3.15Å; R205-E207 PolarHBondContact O-N 3.07Å; R205-E207 VanDerWaalsContact O-N 3.07Å; R205-L208 HydrophobicContact CB-CD1 4.23Å; R205-L208 WeakPolarHBondContact O-CB 3.13Å; R205-L208 PolarHBondContact O-N 3.31Å; R205-V209 PolarHBondContact O-N 3.3Å
206	R	58.3	Low	57.5	Low	165 Å²	165	84 Å²	84	62%	0.623	42%	0.416	S	S	*	.	H	α-helix	trans	-47.2	-39.9	-179.7	-179.4	175.6	156	-169.9	-8.3	113.7	A144 L208	A144-R206 HydrophobicContact CB-CB 4.41Å; A144-R206 HydrophobicContact CB-CG 3.78Å; R206-L208 VanDerWaalsContact C-N 3.33Å; R206-L208 PolarHBondContact O-N 3.36Å
207	E	59.2	Low	57.6	Low	174 Å²	174	90.9 Å²	90.9	81%	0.813	45%	0.448	S	S	*	.	H	α-helix	trans	-67.3	-30.8	179.6	-67.9	166.4	-173.5	0	0	113.4	R205	R205-E207 PolarHBondContact O-N 3.07Å; R205-E207 VanDerWaalsContact O-N 3.07Å
208	L	65	Low	57.7	Low	80 Å²	80	92.7 Å²	92.7	42%	0.419	46%	0.456	S	S	.	.	H	α-helix	trans	-81.1	-28.4	-178.3	-65.7	169.4	0	0	0	112	R205 R206 N210 G211 V212	R205-L208 HydrophobicContact CB-CD1 4.23Å; R205-L208 WeakPolarHBondContact O-CB 3.13Å; R205-L208 PolarHBondContact O-N 3.31Å; R206-L208 VanDerWaalsContact C-N 3.33Å; R206-L208 PolarHBondContact O-N 3.36Å; L208-N210 VanDerWaalsContact C-N 3.31Å; L208-N210 PolarHBondContact O-N 2.86Å; L208-G211 PolarHBondContact O-N 2.75Å; L208-G211 VanDerWaalsContact O-N 3.15Å; L208-V212 HydrophobicContact CB-CG2 4.33Å; L208-V212 WeakPolarHBondContact O-CB 3.48Å; L208-V212 WeakPolarHBondContact O-CG2 3.29Å; L208-V212 PolarHBondContact O-N 3.06Å
209	V	65.6	Low	58	Low	1 Å²	1	94.1 Å²	94.1	1%	0.006	46%	0.462	C	S	.	.	H	α-helix	trans	-54.1	-45.3	-174	176.3	0	0	0	0	112.1	I141 A144 L204 R205 G211 V212 I213	I141-V209 HydrophobicContact CB-CG1 4.49Å; I141-V209 HydrophobicContact CG1-CG1 4.17Å; A144-V209 HydrophobicContact CB-CB 3.7Å; A144-V209 HydrophobicContact CB-CG1 3.87Å; A144-V209 HydrophobicContact CB-CG2 3.8Å; L204-V209 HydrophobicContact CB-CG2 4.11Å; R205-V209 PolarHBondContact O-N 3.3Å; V209-G211 PolarHBondContact O-N 2.92Å; V209-V212 PolarHBondContact O-N 3.01Å; V209-I213 HydrophobicContact CG1-CD1 3.47Å; V209-I213 VanDerWaalsContact CG1-CD1 3.47Å; V209-I213 HydrophobicContact CG1-CG1 4.19Å; V209-I213 WeakPolarHBondContact O-CB 3.44Å; V209-I213 VanDerWaalsContact O-CG1 3.27Å; V209-I213 WeakPolarHBondContact O-CG1 3.46Å; V209-I213 PolarHBondContact O-N 2.84Å
210	N	66.8	Low	58.5	Low	79 Å²	79	85.7 Å²	85.7	42%	0.422	43%	0.43	S	S	.	.	H	α-helix	trans	-68.1	-37.3	-177.1	-74.8	-23.6	0	0	0	112.6	L208 R214	L208-N210 VanDerWaalsContact C-N 3.31Å; L208-N210 PolarHBondContact O-N 2.86Å; N210-R214 WeakPolarHBondContact O-CB 3.21Å; N210-R214 WeakPolarHBondContact O-CD 3.34Å; N210-R214 WeakPolarHBondContact O-CG 3.41Å; N210-R214 PolarHBondContact O-N 3.18Å
211	G	64	Low	59.6	Low	29 Å²	29	85.3 Å²	85.3	30%	0.299	42%	0.419	S	S	.	.	H	α-helix	trans	-68.1	-45.1	173.9	0	0	0	0	0	111.2	L208 V209 I213 R214 H215	L208-G211 PolarHBondContact O-N 2.75Å; L208-G211 VanDerWaalsContact O-N 3.15Å; V209-G211 PolarHBondContact O-N 2.92Å; G211-I213 PolarHBondContact O-N 2.71Å; G211-R214 PolarHBondContact O-N 3.07Å; G211-R214 VanDerWaalsContact O-N 3.13Å; G211-H215 WeakPolarHBondContact O-CB 3.45Å; G211-H215 PolarHBondContact O-CD2 2.91Å; G211-H215 PolarHBondContact O-N 3.39Å
212	V	62.7	Low	60.6	Low	24 Å²	24	90 Å²	90	15%	0.145	44%	0.435	C	S	.	.	H	α-helix	trans	-61.3	-44.4	-178.7	167	0	0	0	0	111	V196 P198 L204 L208 V209 R214 G216	V196-V212 HydrophobicContact CB-CG1 4.39Å; V196-V212 HydrophobicContact CG1-CB 4.04Å; V196-V212 HydrophobicContact CG1-CG1 2.93Å; V196-V212 WeakPolarHBondContact CG1-O 3.38Å; P198-V212 HydrophobicContact CB-CG2 4.16Å; L204-V212 HydrophobicContact CD2-CB 4.43Å; L204-V212 HydrophobicContact CD2-CG1 3.94Å; L204-V212 HydrophobicContact CD2-CG2 4.19Å; L208-V212 HydrophobicContact CB-CG2 4.33Å; L208-V212 WeakPolarHBondContact O-CB 3.48Å; L208-V212 WeakPolarHBondContact O-CG2 3.29Å; L208-V212 PolarHBondContact O-N 3.06Å; V209-V212 PolarHBondContact O-N 3.01Å; V212-R214 PolarHBondContact O-N 2.95Å; V212-G216 PolarHBondContact O-N 3.48Å
213	I	63.5	Low	61.5	Low	25 Å²	25	92.5 Å²	92.5	13%	0.128	44%	0.436	C	S	.	.	H	α-helix	trans	-67.6	-33.9	174.7	-66.7	170.4	0	0	0	112.6	I141 K147 K176 V209 G211	I141-I213 HydrophobicContact CG2-CD1 4.39Å; K147-I213 HydrophobicContact CD-CD1 4.25Å; K147-I213 HydrophobicContact CD-CG2 4.46Å; K176-I213 HydrophobicContact CD-CG2 4.34Å; V209-I213 HydrophobicContact CG1-CD1 3.47Å; V209-I213 VanDerWaalsContact CG1-CD1 3.47Å; V209-I213 HydrophobicContact CG1-CG1 4.19Å; V209-I213 WeakPolarHBondContact O-CB 3.44Å; V209-I213 VanDerWaalsContact O-CG1 3.27Å; V209-I213 WeakPolarHBondContact O-CG1 3.46Å; V209-I213 PolarHBondContact O-N 2.84Å; G211-I213 PolarHBondContact O-N 2.71Å
214	R	63.1	Low	62.1	Low	213 Å²	213	93.8 Å²	93.8	80%	0.804	45%	0.445	S	S	*	.	H	α-helix	trans	-76.9	-31.5	179.7	-75.5	176.8	-175.1	-160.4	1.9	113.3	N210 G211 V212	N210-R214 WeakPolarHBondContact O-CB 3.21Å; N210-R214 WeakPolarHBondContact O-CD 3.34Å; N210-R214 WeakPolarHBondContact O-CG 3.41Å; N210-R214 PolarHBondContact O-N 3.18Å; G211-R214 PolarHBondContact O-N 3.07Å; G211-R214 VanDerWaalsContact O-N 3.13Å; V212-R214 PolarHBondContact O-N 2.95Å
215	H	60.7	Low	62.7	Low	155 Å²	155	98.5 Å²	98.5	72%	0.718	47%	0.47	S	S	*	.	S	Bend	trans	-100.7	12.8	-175.4	-66.4	-63.4	0	0	0	114.2	G211 E217	G211-H215 WeakPolarHBondContact O-CB 3.45Å; G211-H215 PolarHBondContact O-CD2 2.91Å; G211-H215 PolarHBondContact O-N 3.39Å; H215-E217 PolarHBondContact O-N 3.42Å
216	G	58.1	Low	63.2	Low	23 Å²	23	94.3 Å²	94.3	24%	0.237	46%	0.46	C	S	.	.	P	Polyproline II helix	trans	-56.5	137.5	177.4	0	0	0	0	0	112.3	T194 I195 V212	T194-G216 VanDerWaalsContact CG2-CA 3.43Å; T194-G216 VanDerWaalsContact CG2-O 3.32Å; T194-G216 WeakPolarHBondContact CG2-O 3.37Å; I195-G216 CarbonylContact O-C 3.6Å; I195-G216 WeakPolarHBondContact O-CA 3.36Å; V212-G216 PolarHBondContact O-N 3.48Å
217	E	57.5	Low	64.2	Low	158 Å²	158	93.5 Å²	93.5	74%	0.738	47%	0.467	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.1	133.9	175.5	-70.9	-178.5	171.6	0	0	109.8	T194 I195 H215 I219	T194-E217 CarbonylContact C-O 3.58Å; T194-E217 WeakPolarHBondContact CA-O 3.47Å; T194-E217 VanDerWaalsContact CG2-O 3.3Å; T194-E217 WeakPolarHBondContact CG2-O 3.49Å; I195-E217 PolarHBondContact N-O 3.2Å; I195-E217 PolarHBondContact O-N 3.2Å; H215-E217 PolarHBondContact O-N 3.42Å; E217-I219 PolarHBondContact O-N 2.94Å
218	V	58	Low	65	Low	100 Å²	100	89.3 Å²	89.3	61%	0.606	46%	0.455	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.6	126.5	173.5	-179.4	0	0	0	0	108.6	A220	V218-A220 PolarHBondContact O-N 3.07Å
219	I	57.9	Low	65.5	Low	46 Å²	46	90.8 Å²	90.8	24%	0.236	46%	0.461	C	S	.	.			trans	-74.3	110.3	173.1	-41.8	174	0	0	0	107.5	L187 A193 I195 E217	L187-I219 HydrophobicContact CD2-CD1 4.04Å; A193-I219 HydrophobicContact CB-CD1 3.82Å; A193-I219 HydrophobicContact CB-CG1 4.39Å; A193-I219 PolarHBondContact O-N 3.21Å; I195-I219 HydrophobicContact CB-CD1 4.3Å; I195-I219 HydrophobicContact CB-CG1 3.91Å; I195-I219 HydrophobicContact CD1-CD1 3.41Å; I195-I219 VanDerWaalsContact CD1-CD1 3.41Å; I195-I219 HydrophobicContact CD1-CG1 3.55Å; I195-I219 HydrophobicContact CD1-CG2 4.42Å; I195-I219 HydrophobicContact CG1-CD1 3.35Å; I195-I219 HydrophobicContact CG1-CG1 3.48Å; I195-I219 VanDerWaalsContact CG1-CG1 3.48Å; E217-I219 PolarHBondContact O-N 2.94Å
220	A	60.2	Low	66.4	Low	25 Å²	25	93.7 Å²	93.7	21%	0.207	48%	0.476	C	S	.	.			trans	-79.8	149.1	162.5	0	0	0	0	0	109.6	V218 V224 T226 M229	V218-A220 PolarHBondContact O-N 3.07Å; A220-V224 WeakPolarHBondContact CB-O 3.29Å; A220-T226 HydrophobicContact CB-CG2 3.71Å; A220-M229 HydrophobicContact CB-SD 3.82Å
221	H	61.4	Low	67.2	Low	123 Å²	123	97.8 Å²	97.8	57%	0.569	49%	0.486	S	S	*	.			trans	-58.2	143.1	172.3	-173.7	-104.7	0	0	0	109.8	Y223 V224	H221-Y223 AromaticContact CE1-CD2 3.54Å; H221-Y223 AromaticContact ND1-CD2 3.88Å; H221-Y223 PolarHBondContact O-N 3.36Å; H221-V224 HydrophobicContact CB-CB 4.19Å; H221-V224 HydrophobicContact CB-CG2 4.06Å; H221-V224 PolarHBondContact O-N 3.08Å; H221-V224 VanDerWaalsContact O-O 3.12Å
222	K	64.3	Low	67.9	Low	133 Å²	133	102.1 Å²	102.1	58%	0.578	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	-27.1	-174.7	-177.1	178.3	-170	166.8	0	114.8	D185	D185-K222 WeakPolarHBondContact OD1-CD 3.38Å; D185-K222 IonicContact OD1-NZ 3.78Å; D185-K222 PolarHBondContact OD1-NZ 3.43Å; D185-K222 VanDerWaalsContact OD1-NZ 3.09Å; D185-K222 IonicContact OD2-NZ 2.86Å; D185-K222 PolarHBondContact OD2-NZ 3.09Å; D185-K222 VanDerWaalsContact OD2-NZ 3.08Å
223	Y	67.5	Low	68.7	Low	189 Å²	189	104 Å²	104	74%	0.741	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.9	10.9	-177.8	-57.3	-74.7	0	0	0	113.6	H221	H221-Y223 AromaticContact CE1-CD2 3.54Å; H221-Y223 AromaticContact ND1-CD2 3.88Å; H221-Y223 PolarHBondContact O-N 3.36Å
224	V	69.9	Low	69.6	Low	80 Å²	80	106.5 Å²	106.5	49%	0.485	54%	0.536	S	S	.	.			trans	-131.5	117.4	-176.7	-177.9	0	0	0	0	109.6	A220 H221	A220-V224 WeakPolarHBondContact CB-O 3.29Å; H221-V224 HydrophobicContact CB-CB 4.19Å; H221-V224 HydrophobicContact CB-CG2 4.06Å; H221-V224 PolarHBondContact O-N 3.08Å; H221-V224 VanDerWaalsContact O-O 3.12Å
225	D	72.3	Confident	70.5	Confident	109 Å²	109	104.3 Å²	104.3	58%	0.583	53%	0.528	S	S	*	.			trans	-81.8	141.6	167	-64.8	-47.4	0	0	0	110.2	L230	D225-L230 HydrophobicContact CB-CD1 3.88Å; D225-L230 HydrophobicContact CB-CD2 3.82Å; D225-L230 HydrophobicContact CB-CG 3.82Å
226	T	72.4	Confident	71.2	Confident	49 Å²	49	100.8 Å²	100.8	30%	0.301	52%	0.521	S	S	.	.			trans	-99.4	152.5	174	63.1	0	0	0	0	110.8	A220 P228 M229 L230	A220-T226 HydrophobicContact CB-CG2 3.71Å; T226-P228 VanDerWaalsContact C-CD 3.46Å; T226-P228 VanDerWaalsContact C-N 3.31Å; T226-M229 WeakPolarHBondContact O-CB 3.27Å; T226-M229 PolarHBondContact O-N 3.08Å; T226-M229 VanDerWaalsContact OG1-CG 3.29Å; T226-M229 WeakPolarHBondContact OG1-CG 3.4Å; T226-M229 PolarHBondContact OG1-SD 2.89Å; T226-M229 VanDerWaalsContact OG1-SD 3.39Å; T226-L230 PolarHBondContact O-N 2.87Å
227	L	78.1	Confident	71.9	Confident	149 Å²	149	107.1 Å²	107.1	78%	0.78	54%	0.539	S	S	*	.	H	α-helix	trans	-52.4	-40	178.5	-74.6	173.8	0	0	0	114.1	M229 L230 R231	L227-M229 PolarHBondContact O-N 3.49Å; L227-L230 PolarHBondContact O-N 2.84Å; L227-R231 PolarHBondContact O-N 3.37Å; L227-R231 VanDerWaalsContact O-N 3.07Å
228	P	75.7	Confident	72.8	Confident	86 Å²	86	103.6 Å²	103.6	56%	0.558	53%	0.528	S	S	*	.	H	α-helix	trans	-60.2	-40.5	173.1	-26	36.5	0	0	0	113.6	T226 L230 R231	T226-P228 VanDerWaalsContact C-CD 3.46Å; T226-P228 VanDerWaalsContact C-N 3.31Å; P228-L230 VanDerWaalsContact C-N 3.32Å; P228-L230 PolarHBondContact O-N 3.32Å; P228-R231 WeakPolarHBondContact O-CB 3.4Å; P228-R231 PolarHBondContact O-N 3.31Å
229	M	76.2	Confident	73.7	Confident	110 Å²	110	106.6 Å²	106.6	54%	0.542	53%	0.533	S	S	.	.	H	α-helix	trans	-65.5	-36.6	177.4	-66.3	169.7	66	0	0	111.8	A220 T226 L227	A220-M229 HydrophobicContact CB-SD 3.82Å; T226-M229 WeakPolarHBondContact O-CB 3.27Å; T226-M229 PolarHBondContact O-N 3.08Å; T226-M229 VanDerWaalsContact OG1-CG 3.29Å; T226-M229 WeakPolarHBondContact OG1-CG 3.4Å; T226-M229 PolarHBondContact OG1-SD 2.89Å; T226-M229 VanDerWaalsContact OG1-SD 3.39Å; L227-M229 PolarHBondContact O-N 3.49Å
230	L	83.4	Confident	73.8	Confident	62 Å²	62	107.2 Å²	107.2	33%	0.325	55%	0.551	S	S	.	*	H	α-helix	trans	-82.3	-10.4	-179.3	-63.9	176.9	0	0	0	113.6	D225 T226 L227 P228 D232 A233 V234	D225-L230 HydrophobicContact CB-CD1 3.88Å; D225-L230 HydrophobicContact CB-CD2 3.82Å; D225-L230 HydrophobicContact CB-CG 3.82Å; T226-L230 PolarHBondContact O-N 2.87Å; L227-L230 PolarHBondContact O-N 2.84Å; P228-L230 VanDerWaalsContact C-N 3.32Å; P228-L230 PolarHBondContact O-N 3.32Å; L230-D232 PolarHBondContact O-N 3.18Å; L230-A233 PolarHBondContact O-N 3.25Å; L230-V234 HydrophobicContact CB-CG2 4.13Å; L230-V234 WeakPolarHBondContact O-CB 3.42Å; L230-V234 VanDerWaalsContact O-CG2 3.29Å; L230-V234 WeakPolarHBondContact O-CG2 3.36Å; L230-V234 PolarHBondContact O-N 2.8Å
231	R	83.6	Confident	73.7	Confident	166 Å²	166	110.9 Å²	110.9	63%	0.626	56%	0.56	S	S	*	*	H	α-helix	trans	-54.2	-47.7	-169	-176.5	-177.4	-65.6	163.5	-0.2	113.1	L227 P228 R235	L227-R231 PolarHBondContact O-N 3.37Å; L227-R231 VanDerWaalsContact O-N 3.07Å; P228-R231 WeakPolarHBondContact O-CB 3.4Å; P228-R231 PolarHBondContact O-N 3.31Å; R231-R235 VanDerWaalsContact O-CB 3.27Å; R231-R235 WeakPolarHBondContact O-CB 3.29Å; R231-R235 PolarHBondContact O-N 3.49Å
232	D	78.7	Confident	73.6	Confident	120 Å²	120	109.3 Å²	109.3	64%	0.642	56%	0.556	S	S	*	*	H	α-helix	trans	-73.1	-38	-177.2	-67.4	-25	0	0	0	111.8	L230 R235 S236	L230-D232 PolarHBondContact O-N 3.18Å; D232-R235 PolarHBondContact O-N 3.41Å; D232-S236 WeakPolarHBondContact O-CB 3.29Å; D232-S236 PolarHBondContact O-N 3.2Å
233	A	79.4	Confident	73.2	Confident	63 Å²	63	114.1 Å²	114.1	52%	0.521	57%	0.57	S	S	.	*	H	α-helix	trans	-62.7	-44.8	173.7	0	0	0	0	0	111.5	L230 S236 Y237	L230-A233 PolarHBondContact O-N 3.25Å; A233-S236 PolarHBondContact O-N 3.49Å; A233-Y237 WeakPolarHBondContact O-CB 3.33Å; A233-Y237 PolarHBondContact O-N 2.86Å
234	V	83.3	Confident	72.7	Confident	77 Å²	77	112.1 Å²	112.1	47%	0.467	57%	0.568	S	S	.	*	H	α-helix	trans	-64.6	-42.2	175	172	0	0	0	0	110.6	L230 S236 Y237 V238	L230-V234 HydrophobicContact CB-CG2 4.13Å; L230-V234 WeakPolarHBondContact O-CB 3.42Å; L230-V234 VanDerWaalsContact O-CG2 3.29Å; L230-V234 WeakPolarHBondContact O-CG2 3.36Å; L230-V234 PolarHBondContact O-N 2.8Å; V234-S236 PolarHBondContact O-N 2.88Å; V234-Y237 CarbonylContact O-C 3.54Å; V234-Y237 PolarHBondContact O-N 2.92Å; V234-V238 HydrophobicContact CG1-CG2 4.06Å; V234-V238 WeakPolarHBondContact O-CB 3.27Å; V234-V238 VanDerWaalsContact O-CG2 3.29Å; V234-V238 WeakPolarHBondContact O-CG2 3.41Å; V234-V238 PolarHBondContact O-N 2.8Å
235	R	82.7	Confident	72.3	Confident	168 Å²	168	112 Å²	112	63%	0.634	56%	0.564	S	S	*	*	H	α-helix	trans	-61.5	-45.6	177.1	-171.2	-178.9	-177.3	161	1.2	111	R231 D232 Y237 V238 F239	R231-R235 VanDerWaalsContact O-CB 3.27Å; R231-R235 WeakPolarHBondContact O-CB 3.29Å; R231-R235 PolarHBondContact O-N 3.49Å; D232-R235 PolarHBondContact O-N 3.41Å; R235-Y237 VanDerWaalsContact C-N 3.32Å; R235-Y237 PolarHBondContact O-N 3.4Å; R235-V238 PolarHBondContact O-N 3.44Å; R235-F239 HydrophobicContact CB-CD2 4.5Å; R235-F239 HydrophobicContact CG-CD2 3.68Å; R235-F239 HydrophobicContact CG-CE2 4.19Å; R235-F239 WeakPolarHBondContact O-CB 3.05Å; R235-F239 WeakPolarHBondContact O-CD2 3.4Å; R235-F239 PolarHBondContact O-N 3.33Å
236	S	74.1	Confident	72.2	Confident	81 Å²	81	108.2 Å²	108.2	57%	0.566	55%	0.545	S	S	*	.	H	α-helix	trans	-61.1	-42.1	174.3	-178.9	0	0	0	0	111.3	D232 A233 V234 G240	D232-S236 WeakPolarHBondContact O-CB 3.29Å; D232-S236 PolarHBondContact O-N 3.2Å; A233-S236 PolarHBondContact O-N 3.49Å; V234-S236 PolarHBondContact O-N 2.88Å; S236-G240 WeakPolarHBondContact O-CA 3.4Å; S236-G240 PolarHBondContact O-N 2.86Å
237	Y	72.9	Confident	72.3	Confident	155 Å²	155	106.8 Å²	106.8	61%	0.608	54%	0.54	S	S	*	.	H	α-helix	trans	-69.1	-33.6	178.4	-173.8	-94.4	0	0	0	114.2	A233 V234 R235 Y241	A233-Y237 WeakPolarHBondContact O-CB 3.33Å; A233-Y237 PolarHBondContact O-N 2.86Å; V234-Y237 CarbonylContact O-C 3.54Å; V234-Y237 PolarHBondContact O-N 2.92Å; R235-Y237 VanDerWaalsContact C-N 3.32Å; R235-Y237 PolarHBondContact O-N 3.4Å; Y237-Y241 HydrophobicContact CD2-CD2 4.46Å; Y237-Y241 AromaticContact CD2-CE2 3.7Å; Y237-Y241 HydrophobicContact CD2-CE2 3.7Å; Y237-Y241 HydrophobicContact CE2-CE2 4.13Å; Y237-Y241 HydrophobicContact CG-CE2 4.31Å; Y237-Y241 WeakPolarHBondContact O-CD2 3.41Å
238	V	76.7	Confident	72.6	Confident	85 Å²	85	104 Å²	104	52%	0.515	53%	0.526	S	S	.	.	H	α-helix	trans	-84.9	-39.9	-178.4	172.4	0	0	0	0	111.7	V234 R235	V234-V238 HydrophobicContact CG1-CG2 4.06Å; V234-V238 WeakPolarHBondContact O-CB 3.27Å; V234-V238 VanDerWaalsContact O-CG2 3.29Å; V234-V238 WeakPolarHBondContact O-CG2 3.41Å; V234-V238 PolarHBondContact O-N 2.8Å; R235-V238 PolarHBondContact O-N 3.44Å
239	F	76.7	Confident	73.3	Confident	162 Å²	162	101 Å²	101	71%	0.711	51%	0.506	S	S	*	.	H	α-helix	trans	-106.8	-18.3	-172.1	-61.7	-75.3	0	0	0	114.2	R235 Y241	R235-F239 HydrophobicContact CB-CD2 4.5Å; R235-F239 HydrophobicContact CG-CD2 3.68Å; R235-F239 HydrophobicContact CG-CE2 4.19Å; R235-F239 WeakPolarHBondContact O-CB 3.05Å; R235-F239 WeakPolarHBondContact O-CD2 3.4Å; R235-F239 PolarHBondContact O-N 3.33Å; F239-Y241 VanDerWaalsContact C-N 3.28Å
240	G	61	Low	74.1	Confident	59 Å²	59	97.9 Å²	97.9	61%	0.608	49%	0.49	S	S	*	.	S	Bend	trans	-77.8	-12.5	177.7	0	0	0	0	0	113.8	S236	S236-G240 WeakPolarHBondContact O-CA 3.4Å; S236-G240 PolarHBondContact O-N 2.86Å
241	Y	57.3	Low	74.5	Confident	103 Å²	103	95.2 Å²	95.2	40%	0.404	48%	0.475	S	S	.	.	S	Bend	trans	-98.7	113.6	179.9	-73.7	-89.8	0	0	0	110.7	Y237 F239 R243 V246	Y237-Y241 HydrophobicContact CD2-CD2 4.46Å; Y237-Y241 AromaticContact CD2-CE2 3.7Å; Y237-Y241 HydrophobicContact CD2-CE2 3.7Å; Y237-Y241 HydrophobicContact CE2-CE2 4.13Å; Y237-Y241 HydrophobicContact CG-CE2 4.31Å; Y237-Y241 WeakPolarHBondContact O-CD2 3.41Å; F239-Y241 VanDerWaalsContact C-N 3.28Å; Y241-R243 PolarHBondContact O-N 2.72Å; Y241-V246 HydrophobicContact CD1-CB 4.24Å; Y241-V246 HydrophobicContact CD1-CG1 3.52Å; Y241-V246 HydrophobicContact CE1-CG1 3.62Å; Y241-V246 WeakPolarHBondContact CE1-O 2.91Å
242	D	59.3	Low	74.9	Confident	89 Å²	89	92.9 Å²	92.9	48%	0.476	47%	0.47	S	S	.	.	B	Isolated β-bridge	trans	-60.7	118.5	156.1	176.7	6.3	0	0	0	107.2	Q244 N245	D242-Q244 PolarHBondContact O-N 3.05Å; D242-Q244 PolarHBondContact OD1-N 2.76Å; D242-Q244 VanDerWaalsContact OD1-N 3.17Å; D242-N245 CarbonylContact O-C 3.44Å; D242-N245 PolarHBondContact O-N 3.1Å; D242-N245 VanDerWaalsContact O-O 3.07Å
243	R	56.3	Low	75.4	Confident	235 Å²	235	89.5 Å²	89.5	89%	0.887	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-20.7	-176	-70.9	-177	177.9	172.1	-0.4	112.8	Y241	Y241-R243 PolarHBondContact O-N 2.72Å
244	Q	55.6	Low	76	Confident	147 Å²	147	86.7 Å²	86.7	69%	0.687	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-31.5	178.6	-59.6	-170.6	3.7	0	0	112.7	D242	D242-Q244 PolarHBondContact O-N 3.05Å; D242-Q244 PolarHBondContact OD1-N 2.76Å; D242-Q244 VanDerWaalsContact OD1-N 3.17Å
245	N	61.6	Low	76.4	Confident	77 Å²	77	86.4 Å²	86.4	41%	0.412	43%	0.426	S	S	.	.	B	Isolated β-bridge	trans	-129.6	97.6	-173.7	-65.6	-53.3	0	0	0	110	D242 Q250	D242-N245 CarbonylContact O-C 3.44Å; D242-N245 PolarHBondContact O-N 3.1Å; D242-N245 VanDerWaalsContact O-O 3.07Å; N245-Q250 PolarHBondContact OD1-NE2 3.36Å
246	V	70.7	Confident	76.9	Confident	29 Å²	29	79.5 Å²	79.5	18%	0.176	40%	0.401	C	S	.	.			trans	-96.1	-13.2	-173.2	-169.2	0	0	0	0	111.4	Y241 K262 R265	Y241-V246 HydrophobicContact CD1-CB 4.24Å; Y241-V246 HydrophobicContact CD1-CG1 3.52Å; Y241-V246 HydrophobicContact CE1-CG1 3.62Å; Y241-V246 WeakPolarHBondContact CE1-O 2.91Å; V246-K262 HydrophobicContact CB-CB 4.4Å; V246-K262 HydrophobicContact CG2-CB 4.22Å; V246-K262 PolarHBondContact N-O 3.37Å; V246-R265 WeakPolarHBondContact O-CG 3.32Å
247	G	75.7	Confident	77.7	Confident	19 Å²	19	75.7 Å²	75.7	20%	0.196	37%	0.374	C	S	.	.	S	Bend	trans	-90.9	158.5	-178.3	0	0	0	0	0	115.8	V249 K262 F264	G247-V249 VanDerWaalsContact C-N 3.31Å; G247-K262 PolarHBondContact N-O 3.28Å; G247-F264 CarbonylContact C-O 3.33Å; G247-F264 WeakPolarHBondContact CA-O 3.39Å
248	L	84.3	Confident	78.6	Confident	92 Å²	92	69.6 Å²	69.6	48%	0.482	35%	0.352	S	S	.	.	S	Bend	trans	-59.2	-41.8	169.2	179.8	69.3	0	0	0	111.5	F264 L266	L248-F264 PolarHBondContact N-O 3.27Å; L248-L266 HydrophobicContact CD2-CD1 4.35Å; L248-L266 HydrophobicContact CD2-CD2 4.32Å; L248-L266 HydrophobicContact CD2-CG 4.32Å
249	V	89.9	Confident	79.2	Confident	22 Å²	22	69.8 Å²	69.8	13%	0.133	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-138.7	156.7	176.4	-61.9	0	0	0	0	110.8	G247 G263 F264 L291 Q294 V296	G247-V249 VanDerWaalsContact C-N 3.31Å; V249-G263 WeakPolarHBondContact O-CA 3.46Å; V249-F264 HydrophobicContact CG2-CB 3.7Å; V249-F264 HydrophobicContact CG2-CD1 3.97Å; V249-F264 HydrophobicContact CG2-CG 4.06Å; V249-F264 PolarHBondContact O-N 3.14Å; V249-L291 HydrophobicContact CG2-CD2 3.5Å; V249-Q294 HydrophobicContact CG1-CB 4.38Å; V249-V296 HydrophobicContact CB-CG2 4.46Å; V249-V296 HydrophobicContact CG1-CG2 3.82Å; V249-V296 HydrophobicContact CG2-CG2 3.78Å
250	Q	91.8	Very high	79.8	Confident	45 Å²	45	63.2 Å²	63.2	21%	0.21	32%	0.321	C	S	.	.			trans	-101.9	142.4	172.2	-62.4	-60.5	-39.6	0	0	109	N245 K252 N258 K262 Q294	N245-Q250 PolarHBondContact OD1-NE2 3.36Å; Q250-K252 PolarHBondContact O-N 3.09Å; Q250-N258 VanDerWaalsContact OE1-CB 3.29Å; Q250-N258 PolarHBondContact OE1-OD1 3.26Å; Q250-K262 PolarHBondContact NE2-O 3.47Å; Q250-Q294 PolarHBondContact O-NE2 3.17Å; Q250-Q294 PolarHBondContact O-OE1 2.84Å
251	W	93.1	Very high	81.2	Confident	6 Å²	6	60.5 Å²	60.5	2%	0.023	29%	0.293	C	S	.	.			trans	-65.9	131.4	174.6	-67.6	-78.1	0	0	0	109.7	F254 S255 L257 N258 L261 G263 F264 Y287 D290	W251-F254 HydrophobicContact CB-CB 4.21Å; W251-F254 WeakPolarHBondContact CB-O 3.16Å; W251-S255 WeakPolarHBondContact O-CA 3.38Å; W251-L257 HydrophobicContact CD2-CB 4.24Å; W251-L257 HydrophobicContact CD2-CD1 4.37Å; W251-L257 HydrophobicContact CE3-CB 3.79Å; W251-L257 HydrophobicContact CG-CD1 4.47Å; W251-L257 HydrophobicContact CZ3-CB 4.38Å; W251-N258 PolarHBondContact N-OD1 3.24Å; W251-N258 PolarHBondContact O-ND2 3.39Å; W251-L261 HydrophobicContact CH2-CB 3.91Å; W251-L261 HydrophobicContact CH2-CD1 3.76Å; W251-L261 HydrophobicContact CZ2-CD1 4.42Å; W251-L261 HydrophobicContact CZ3-CB 3.58Å; W251-L261 HydrophobicContact CZ3-CD1 3.9Å; W251-L261 HydrophobicContact CZ3-CG 4.36Å; W251-G263 WeakPolarHBondContact CH2-O 3.4Å; W251-F264 HydrophobicContact CH2-CB 4.14Å; W251-F264 HydrophobicContact CZ2-CB 3.81Å; W251-F264 HydrophobicContact CZ2-CD2 4.12Å; W251-F264 HydrophobicContact CZ2-CG 4.49Å; W251-Y287 AromaticContact CD1-CE2 3.93Å; W251-Y287 AromaticContact CE2-CE2 3.56Å; W251-Y287 AromaticContact CE2-CZ 3.88Å; W251-Y287 AromaticContact CZ2-CE2 3.85Å; W251-Y287 HydrophobicContact CZ2-CE2 3.85Å; W251-Y287 AromaticContact CZ2-CZ 3.87Å; W251-Y287 VanDerWaalsContact CZ2-OH 3.24Å; W251-Y287 WeakPolarHBondContact CZ2-OH 3.45Å; W251-Y287 AromaticContact NE1-CD2 3.65Å; W251-Y287 AromaticContact NE1-CE2 3.04Å; W251-Y287 AromaticContact NE1-CZ 3.39Å; W251-D290 WeakPolarHBondContact CA-OD2 3.34Å; W251-D290 VanDerWaalsContact CB-OD2 3.3Å; W251-D290 WeakPolarHBondContact CB-OD2 3.45Å
252	K	91.9	Very high	82.7	Confident	117 Å²	117	58 Å²	58	51%	0.509	28%	0.284	S	S	.	.	S	Bend	trans	-93.1	-50.7	176.4	-67.5	176	177.8	175	0	110	Q250 F254 S255 D290 Q294	Q250-K252 PolarHBondContact O-N 3.09Å; K252-F254 VanDerWaalsContact C-N 3.34Å; K252-S255 PolarHBondContact O-N 2.99Å; K252-D290 WeakPolarHBondContact CB-OD1 2.89Å; K252-D290 PolarHBondContact N-OD1 2.78Å; K252-D290 VanDerWaalsContact N-OD1 3.1Å; K252-D290 PolarHBondContact N-OD2 2.89Å; K252-Q294 HydrophobicContact CD-CG 3.98Å
253	R	89.5	Confident	84.2	Confident	48 Å²	48	53.8 Å²	53.8	18%	0.181	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-36.5	178.4	-66.3	-172.3	71.2	174.2	1.8	112.4	E286 D290 Y321 C472	R253-E286 IonicContact CZ-OE2 3.74Å; R253-E286 IonicContact NH2-OE2 3.63Å; R253-E286 PolarHBondContact NH2-OE2 3.14Å; R253-D290 HydrophobicContact CB-CB 4.12Å; R253-D290 HydrophobicContact CG-CB 4.15Å; R253-D290 PolarHBondContact N-OD1 3.26Å; R253-D290 PolarHBondContact N-OD2 3.09Å; R253-Y321 HydrophobicContact CG-CD2 4.26Å; R253-Y321 HydrophobicContact CG-CE1 4.16Å; R253-Y321 HydrophobicContact CG-CE2 3.69Å; R253-C472 PolarHBondContact NH2-SG 2.97Å
254	F	91.7	Very high	85.8	Confident	4 Å²	4	42.6 Å²	42.6	2%	0.018	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.6	49.4	176.9	-56.8	-65	0	0	0	111.1	W251 K252 L256 L257 F283 E286 L475	W251-F254 HydrophobicContact CB-CB 4.21Å; W251-F254 WeakPolarHBondContact CB-O 3.16Å; K252-F254 VanDerWaalsContact C-N 3.34Å; F254-L256 PolarHBondContact O-N 3.22Å; F254-L257 HydrophobicContact CB-CD1 3.54Å; F254-L257 HydrophobicContact CB-CG 3.81Å; F254-L257 HydrophobicContact CG-CD1 4.26Å; F254-L257 VanDerWaalsContact O-CB 3.24Å; F254-L257 WeakPolarHBondContact O-CB 3.26Å; F254-L257 WeakPolarHBondContact O-CG 3.39Å; F254-L257 PolarHBondContact O-N 2.85Å; F254-F283 HydrophobicContact CD1-CE2 4.01Å; F254-F283 HydrophobicContact CD2-CE2 4.19Å; F254-F283 HydrophobicContact CD2-CZ 4.48Å; F254-F283 HydrophobicContact CE1-CD2 4.07Å; F254-F283 AromaticContact CE1-CE2 3.65Å; F254-F283 HydrophobicContact CE1-CE2 3.65Å; F254-F283 HydrophobicContact CE2-CD2 4.29Å; F254-F283 AromaticContact CE2-CE2 3.84Å; F254-F283 HydrophobicContact CE2-CE2 3.84Å; F254-F283 HydrophobicContact CE2-CZ 4.39Å; F254-F283 HydrophobicContact CG-CE2 4.26Å; F254-F283 AromaticContact CZ-CD2 3.76Å; F254-F283 HydrophobicContact CZ-CD2 3.76Å; F254-F283 AromaticContact CZ-CE2 3.56Å; F254-F283 HydrophobicContact CZ-CE2 3.56Å; F254-E286 HydrophobicContact CE2-CB 3.9Å; F254-E286 HydrophobicContact CZ-CB 3.83Å; F254-L475 HydrophobicContact CB-CD1 4.41Å; F254-L475 HydrophobicContact CD1-CD1 3.74Å; F254-L475 HydrophobicContact CD1-CG 3.88Å; F254-L475 HydrophobicContact CE1-CD1 4.48Å; F254-L475 HydrophobicContact CE1-CG 4.29Å; F254-L475 HydrophobicContact CG-CD1 4.39Å
255	S	92.4	Very high	87.5	Confident	72 Å²	72	36.3 Å²	36.3	50%	0.503	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-30.3	-176.9	60.5	0	0	0	0	114	W251 K252 L257 N258	W251-S255 WeakPolarHBondContact O-CA 3.38Å; K252-S255 PolarHBondContact O-N 2.99Å; S255-L257 PolarHBondContact O-N 3.25Å; S255-N258 VanDerWaalsContact O-CB 3.25Å; S255-N258 WeakPolarHBondContact O-CB 3.16Å; S255-N258 PolarHBondContact O-N 3.09Å; S255-N258 PolarHBondContact O-ND2 2.81Å
256	L	91.8	Very high	89	Confident	23 Å²	23	35.9 Å²	35.9	12%	0.12	19%	0.186	C	C	.	.	H	α-helix	trans	-57.9	-31.4	173.8	-171.9	59	0	0	0	112.8	F254 N258 N259 Y260 I462 L475 E477	F254-L256 PolarHBondContact O-N 3.22Å; L256-N258 PolarHBondContact O-N 3.45Å; L256-N259 WeakPolarHBondContact O-CB 3.3Å; L256-N259 PolarHBondContact O-N 2.79Å; L256-Y260 HydrophobicContact CD1-CE2 4.22Å; L256-Y260 HydrophobicContact CG-CE2 4.35Å; L256-Y260 WeakPolarHBondContact O-CD2 3.43Å; L256-I462 HydrophobicContact CD2-CB 4.5Å; L256-I462 HydrophobicContact CD2-CD1 3.47Å; L256-I462 VanDerWaalsContact CD2-CD1 3.47Å; L256-I462 HydrophobicContact CD2-CG1 3.77Å; L256-I462 HydrophobicContact CD2-CG2 3.95Å; L256-I462 HydrophobicContact CG-CD1 3.8Å; L256-L475 HydrophobicContact CD2-CB 4.27Å; L256-E477 HydrophobicContact CD1-CB 4.3Å; L256-E477 HydrophobicContact CD2-CB 4.06Å
257	L	91.6	Very high	90	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-64.1	-28.9	175.7	-62.8	-179.8	0	0	0	112.2	W251 F254 S255 N259 Y260 L261 F445 L475	W251-L257 HydrophobicContact CD2-CB 4.24Å; W251-L257 HydrophobicContact CD2-CD1 4.37Å; W251-L257 HydrophobicContact CE3-CB 3.79Å; W251-L257 HydrophobicContact CG-CD1 4.47Å; W251-L257 HydrophobicContact CZ3-CB 4.38Å; F254-L257 HydrophobicContact CB-CD1 3.54Å; F254-L257 HydrophobicContact CB-CG 3.81Å; F254-L257 HydrophobicContact CG-CD1 4.26Å; F254-L257 VanDerWaalsContact O-CB 3.24Å; F254-L257 WeakPolarHBondContact O-CB 3.26Å; F254-L257 WeakPolarHBondContact O-CG 3.39Å; F254-L257 PolarHBondContact O-N 2.85Å; S255-L257 PolarHBondContact O-N 3.25Å; L257-N259 PolarHBondContact O-N 3.35Å; L257-Y260 PolarHBondContact O-N 3.4Å; L257-L261 HydrophobicContact CB-CD1 4.24Å; L257-L261 WeakPolarHBondContact O-CB 3.49Å; L257-L261 PolarHBondContact O-N 2.74Å; L257-F445 HydrophobicContact CD2-CD1 4.1Å; L257-F445 HydrophobicContact CD2-CE1 3.4Å; L257-F445 VanDerWaalsContact CD2-CE1 3.4Å; L257-F445 HydrophobicContact CD2-CZ 3.89Å; L257-L475 HydrophobicContact CD2-CD1 4.09Å; L257-L475 HydrophobicContact CG-CD1 4.28Å
258	N	91.1	Very high	90.8	Very high	27 Å²	27	34.1 Å²	34.1	14%	0.144	17%	0.173	C	C	.	.	H	α-helix	trans	-61	-34	178.9	-60.2	-36.3	0	0	0	111.3	Q250 W251 S255 L256 Y260 K262	Q250-N258 VanDerWaalsContact OE1-CB 3.29Å; Q250-N258 PolarHBondContact OE1-OD1 3.26Å; W251-N258 PolarHBondContact N-OD1 3.24Å; W251-N258 PolarHBondContact O-ND2 3.39Å; S255-N258 VanDerWaalsContact O-CB 3.25Å; S255-N258 WeakPolarHBondContact O-CB 3.16Å; S255-N258 PolarHBondContact O-N 3.09Å; S255-N258 PolarHBondContact O-ND2 2.81Å; L256-N258 PolarHBondContact O-N 3.45Å; N258-Y260 PolarHBondContact O-N 3.19Å; N258-K262 VanDerWaalsContact O-CA 3.3Å; N258-K262 WeakPolarHBondContact O-CA 3.33Å; N258-K262 PolarHBondContact O-N 3.27Å
259	N	88.8	Confident	91.3	Very high	90 Å²	90	29.8 Å²	29.8	48%	0.481	15%	0.15	S	C	.	.	H	α-helix	trans	-60.5	-35.7	177.3	-65.6	-12.2	0	0	0	111.9	L256 L257 K262	L256-N259 WeakPolarHBondContact O-CB 3.3Å; L256-N259 PolarHBondContact O-N 2.79Å; L257-N259 PolarHBondContact O-N 3.35Å; N259-K262 PolarHBondContact O-NZ 3.39Å
260	Y	90.1	Very high	91.6	Very high	23 Å²	23	28.8 Å²	28.8	9%	0.09	14%	0.144	C	C	.	.	H	α-helix	trans	-103	-29.6	-172.7	-62.9	-83.8	0	0	0	114.2	L256 L257 N258 I447 N450 G454 E455 L457 I462 E477	L256-Y260 HydrophobicContact CD1-CE2 4.22Å; L256-Y260 HydrophobicContact CG-CE2 4.35Å; L256-Y260 WeakPolarHBondContact O-CD2 3.43Å; L257-Y260 PolarHBondContact O-N 3.4Å; N258-Y260 PolarHBondContact O-N 3.19Å; Y260-I447 HydrophobicContact CD1-CD1 4.45Å; Y260-I447 HydrophobicContact CD2-CD1 4.37Å; Y260-I447 HydrophobicContact CG-CD1 3.81Å; Y260-N450 PolarHBondContact O-ND2 2.76Å; Y260-G454 CarbonylContact O-C 3.43Å; Y260-G454 WeakPolarHBondContact O-CA 3.46Å; Y260-E455 HydrophobicContact CD1-CB 3.97Å; Y260-E455 PolarHBondContact O-N 3.32Å; Y260-L457 HydrophobicContact CD1-CB 4.19Å; Y260-L457 HydrophobicContact CE1-CB 4.16Å; Y260-L457 HydrophobicContact CE1-CD1 3.96Å; Y260-I462 HydrophobicContact CD2-CD1 4.34Å; Y260-I462 HydrophobicContact CE2-CD1 3.84Å; Y260-E477 PolarHBondContact OH-OE1 2.97Å
261	L	90.8	Very high	91.6	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.01	13%	0.134	C	C	.	.	H	α-helix	trans	-105.2	-19.9	-176.2	-62.9	-178.1	0	0	0	113	W251 L257 G263 R265 L427 I447	W251-L261 HydrophobicContact CH2-CB 3.91Å; W251-L261 HydrophobicContact CH2-CD1 3.76Å; W251-L261 HydrophobicContact CZ2-CD1 4.42Å; W251-L261 HydrophobicContact CZ3-CB 3.58Å; W251-L261 HydrophobicContact CZ3-CD1 3.9Å; W251-L261 HydrophobicContact CZ3-CG 4.36Å; L257-L261 HydrophobicContact CB-CD1 4.24Å; L257-L261 WeakPolarHBondContact O-CB 3.49Å; L257-L261 PolarHBondContact O-N 2.74Å; L261-G263 PolarHBondContact O-N 3.08Å; L261-R265 PolarHBondContact O-NH1 2.89Å; L261-R265 PolarHBondContact O-NH2 3.09Å; L261-R265 VanDerWaalsContact O-NH2 3.14Å; L261-L427 HydrophobicContact CD1-CD2 4.15Å; L261-L427 HydrophobicContact CD2-CD2 4.36Å; L261-I447 HydrophobicContact CD2-CD1 4.16Å; L261-I447 HydrophobicContact CD2-CG2 4.04Å; L261-I447 HydrophobicContact CG-CD1 4.23Å
262	K	89.1	Confident	91.6	Very high	51 Å²	51	26.4 Å²	26.4	22%	0.222	13%	0.133	C	C	.	.			trans	63.9	21.7	-178.1	-49.1	-55.6	-170.7	-165.6	0	115.3	V246 G247 Q250 N258 N259 A453	V246-K262 HydrophobicContact CB-CB 4.4Å; V246-K262 HydrophobicContact CG2-CB 4.22Å; V246-K262 PolarHBondContact N-O 3.37Å; G247-K262 PolarHBondContact N-O 3.28Å; Q250-K262 PolarHBondContact NE2-O 3.47Å; N258-K262 VanDerWaalsContact O-CA 3.3Å; N258-K262 WeakPolarHBondContact O-CA 3.33Å; N258-K262 PolarHBondContact O-N 3.27Å; N259-K262 PolarHBondContact O-NZ 3.39Å; K262-A453 WeakPolarHBondContact CG-O 3.39Å
263	G	89.5	Confident	91.5	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.109	C	C	.	.	S	Bend	trans	105.7	169.5	177.1	0	0	0	0	0	114.2	V249 W251 L261	V249-G263 WeakPolarHBondContact O-CA 3.46Å; W251-G263 WeakPolarHBondContact CH2-O 3.4Å; L261-G263 PolarHBondContact O-N 3.08Å
264	F	91.6	Very high	91.4	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.1	C	C	.	.	B	Isolated β-bridge	trans	-80.8	127.8	-178.8	175.4	-91.6	0	0	0	111	G247 L248 V249 W251 L266 L291 V296 H357 H388	G247-F264 CarbonylContact C-O 3.33Å; G247-F264 WeakPolarHBondContact CA-O 3.39Å; L248-F264 PolarHBondContact N-O 3.27Å; V249-F264 HydrophobicContact CG2-CB 3.7Å; V249-F264 HydrophobicContact CG2-CD1 3.97Å; V249-F264 HydrophobicContact CG2-CG 4.06Å; V249-F264 PolarHBondContact O-N 3.14Å; W251-F264 HydrophobicContact CH2-CB 4.14Å; W251-F264 HydrophobicContact CZ2-CB 3.81Å; W251-F264 HydrophobicContact CZ2-CD2 4.12Å; W251-F264 HydrophobicContact CZ2-CG 4.49Å; F264-L266 HydrophobicContact CE1-CD2 4.17Å; F264-L291 HydrophobicContact CB-CD2 4.09Å; F264-L291 HydrophobicContact CD1-CD2 4.47Å; F264-L291 HydrophobicContact CD2-CD1 3.61Å; F264-L291 HydrophobicContact CD2-CD2 3.85Å; F264-L291 HydrophobicContact CD2-CG 4.41Å; F264-L291 HydrophobicContact CE2-CD1 3.44Å; F264-L291 VanDerWaalsContact CE2-CD1 3.44Å; F264-L291 HydrophobicContact CE2-CD2 4.36Å; F264-L291 HydrophobicContact CG-CD1 4.42Å; F264-L291 HydrophobicContact CG-CD2 3.89Å; F264-L291 HydrophobicContact CZ-CD1 4.14Å; F264-V296 HydrophobicContact CE1-CG1 3.95Å; F264-V296 HydrophobicContact CZ-CG1 4.14Å; F264-H357 HydrophobicContact CE2-CB 4.31Å; F264-H357 AromaticContact CE2-CD2 3.66Å; F264-H357 AromaticContact CE2-CG 3.93Å; F264-H357 HydrophobicContact CZ-CB 3.68Å; F264-H357 AromaticContact CZ-CD2 3.84Å; F264-H357 AromaticContact CZ-CG 3.81Å; F264-H388 HydrophobicContact CD2-CB 4.41Å; F264-H388 AromaticContact CD2-CE1 3.86Å; F264-H388 AromaticContact CD2-CG 3.86Å; F264-H388 AromaticContact CD2-ND1 3.42Å; F264-H388 WeakPolarHBondContact CD2-ND1 3.45Å; F264-H388 HydrophobicContact CE1-CB 3.84Å; F264-H388 HydrophobicContact CE2-CB 3.5Å; F264-H388 AromaticContact CE2-CD2 3.79Å; F264-H388 AromaticContact CE2-CE1 3.95Å; F264-H388 AromaticContact CE2-CG 3.24Å; F264-H388 AromaticContact CE2-ND1 3.33Å; F264-H388 VanDerWaalsContact CE2-ND1 3.33Å; F264-H388 WeakPolarHBondContact CE2-ND1 3.3Å; F264-H388 AromaticContact CG-ND1 3.97Å; F264-H388 HydrophobicContact CZ-CB 3.17Å; F264-H388 AromaticContact CZ-CG 3.52Å; F264-H388 AromaticContact CZ-ND1 3.81Å
265	R	91	Very high	90.9	Very high	15 Å²	15	20.5 Å²	20.5	6%	0.057	11%	0.114	C	C	.	.			trans	-128.1	129.2	-169.7	-73.5	173.9	-64.8	-149.7	1.3	112.2	V246 L261 E268 H388 N450	V246-R265 WeakPolarHBondContact O-CG 3.32Å; L261-R265 PolarHBondContact O-NH1 2.89Å; L261-R265 PolarHBondContact O-NH2 3.09Å; L261-R265 VanDerWaalsContact O-NH2 3.14Å; R265-E268 HydrophobicContact CB-CG 3.9Å; R265-E268 IonicContact CZ-OE1 2.63Å; R265-E268 IonicContact NE-OE1 3.39Å; R265-E268 PolarHBondContact NE-OE1 2.81Å; R265-E268 IonicContact NE-OE2 3.59Å; R265-E268 PolarHBondContact NE-OE2 2.84Å; R265-E268 IonicContact NH2-OE1 2.73Å; R265-E268 PolarHBondContact NH2-OE1 3.47Å; R265-E268 VanDerWaalsContact NH2-OE1 3.14Å; R265-E268 IonicContact NH2-OE2 3.09Å; R265-E268 WeakPolarHBondContact O-CB 3.42Å; R265-H388 PolarHBondContact O-ND1 3.24Å; R265-N450 PolarHBondContact NH2-OD1 2.82Å
266	L	91.8	Very high	90.4	Very high	68 Å²	68	22.9 Å²	22.9	36%	0.356	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	149.8	172.8	-60.6	-177.5	0	0	0	111.2	L248 F264 E268 Q356 H386	L248-L266 HydrophobicContact CD2-CD1 4.35Å; L248-L266 HydrophobicContact CD2-CD2 4.32Å; L248-L266 HydrophobicContact CD2-CG 4.32Å; F264-L266 HydrophobicContact CE1-CD2 4.17Å; L266-E268 VanDerWaalsContact C-N 3.29Å; L266-Q356 HydrophobicContact CD2-CB 4.05Å; L266-Q356 WeakPolarHBondContact CD2-O 3.46Å; L266-H386 WeakPolarHBondContact CB-O 3.16Å; L266-H386 WeakPolarHBondContact CD2-O 3.46Å
267	G	92	Very high	89.9	Confident	7 Å²	7	25.6 Å²	25.6	7%	0.072	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.4	1.5	-176.7	0	0	0	0	0	114.6	K379 A382 L387	G267-K379 PolarHBondContact O-NZ 3Å; G267-A382 WeakPolarHBondContact CA-O 3.43Å; G267-L387 WeakPolarHBondContact CA-O 3.22Å; G267-L387 PolarHBondContact N-O 2.89Å
268	E	93.7	Very high	89.7	Confident	5 Å²	5	25.8 Å²	25.8	2%	0.023	15%	0.147	C	C	.	.			trans	-96.9	147.1	179.9	-65	-166.1	163.5	0	0	113.7	R265 L266 H388 V389 D424 N425 N452	R265-E268 HydrophobicContact CB-CG 3.9Å; R265-E268 IonicContact CZ-OE1 2.63Å; R265-E268 IonicContact NE-OE1 3.39Å; R265-E268 PolarHBondContact NE-OE1 2.81Å; R265-E268 IonicContact NE-OE2 3.59Å; R265-E268 PolarHBondContact NE-OE2 2.84Å; R265-E268 IonicContact NH2-OE1 2.73Å; R265-E268 PolarHBondContact NH2-OE1 3.47Å; R265-E268 VanDerWaalsContact NH2-OE1 3.14Å; R265-E268 IonicContact NH2-OE2 3.09Å; R265-E268 WeakPolarHBondContact O-CB 3.42Å; L266-E268 VanDerWaalsContact C-N 3.29Å; E268-H388 CarbonylContact O-C 3.59Å; E268-H388 WeakPolarHBondContact O-CA 3.24Å; E268-H388 IonicContact OE2-CE1 4Å; E268-V389 PolarHBondContact O-N 3.41Å; E268-D424 VanDerWaalsContact CA-OD2 3.25Å; E268-D424 WeakPolarHBondContact CA-OD2 3.44Å; E268-D424 HydrophobicContact CB-CB 4.18Å; E268-D424 HydrophobicContact CG-CB 4.17Å; E268-N425 PolarHBondContact OE2-ND2 2.84Å; E268-N452 PolarHBondContact OE1-ND2 3.43Å
269	L	94.7	Very high	89.7	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	112.6	166.2	174	62.5	0	0	0	109.1	L271 F375 L378 K379 V389 A391 D422 A423 D424 N425	L269-L271 HydrophobicContact CD1-CD2 4.02Å; L269-L271 HydrophobicContact CD2-CD2 4.49Å; L269-L271 HydrophobicContact CG-CD2 4.21Å; L269-F375 HydrophobicContact CD2-CB 4.27Å; L269-F375 HydrophobicContact CD2-CD1 4.47Å; L269-F375 WeakPolarHBondContact CD2-O 3.44Å; L269-L378 HydrophobicContact CD1-CB 4.28Å; L269-L378 HydrophobicContact CD2-CB 4.41Å; L269-K379 HydrophobicContact CB-CD 4.17Å; L269-K379 HydrophobicContact CD2-CB 4.13Å; L269-V389 CarbonylContact C-O 3.56Å; L269-V389 WeakPolarHBondContact CA-O 3.46Å; L269-V389 HydrophobicContact CD1-CB 3.93Å; L269-V389 HydrophobicContact CD1-CG1 3.76Å; L269-A391 HydrophobicContact CD1-CB 4.41Å; L269-D422 HydrophobicContact CD2-CB 4.49Å; L269-A423 HydrophobicContact CD2-CB 4.32Å; L269-A423 HydrophobicContact CG-CB 4.24Å; L269-A423 CarbonylContact O-C 3.52Å; L269-D424 PolarHBondContact N-OD2 2.89Å; L269-D424 PolarHBondContact O-N 3.39Å; L269-N425 PolarHBondContact O-N 2.95Å
270	T	94.8	Very high	89.8	Confident	1 Å²	1	21.1 Å²	21.1	1%	0.006	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	124.2	172.7	-66.1	0	0	0	0	110	H388 V389 T390 A391 N425 L427	T270-H388 PolarHBondContact OG1-CE1 3.4Å; T270-H388 PolarHBondContact OG1-NE2 3.29Å; T270-V389 PolarHBondContact N-O 3.42Å; T270-T390 HydrophobicContact CG2-CG2 4.23Å; T270-T390 CarbonylContact O-C 3.56Å; T270-T390 WeakPolarHBondContact O-CA 3.25Å; T270-A391 PolarHBondContact O-N 3.23Å; T270-N425 WeakPolarHBondContact CA-O 3.45Å; T270-N425 HydrophobicContact CG2-CB 4.09Å; T270-N425 PolarHBondContact OG1-ND2 2.84Å; T270-N425 VanDerWaalsContact OG1-ND2 3.14Å; T270-L427 HydrophobicContact CG2-CD1 3.48Å; T270-L427 VanDerWaalsContact CG2-CD1 3.48Å; T270-L427 HydrophobicContact CG2-CG 3.78Å
271	L	93.1	Very high	89.8	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	124.3	173.7	-62.7	-174.8	0	0	0	111.2	L269 F375 A391 L416 G419 A423 N425 I426 L427	L269-L271 HydrophobicContact CD1-CD2 4.02Å; L269-L271 HydrophobicContact CD2-CD2 4.49Å; L269-L271 HydrophobicContact CG-CD2 4.21Å; L271-F375 HydrophobicContact CD1-CD1 4.08Å; L271-F375 HydrophobicContact CD1-CE1 4.04Å; L271-F375 HydrophobicContact CD2-CD1 3.67Å; L271-F375 HydrophobicContact CD2-CE1 3.49Å; L271-F375 VanDerWaalsContact CD2-CE1 3.49Å; L271-F375 HydrophobicContact CG-CE1 4.45Å; L271-A391 WeakPolarHBondContact CA-O 3.45Å; L271-A391 HydrophobicContact CD2-CB 3.81Å; L271-L416 HydrophobicContact CD1-CD2 3.83Å; L271-G419 WeakPolarHBondContact CD1-O 3.44Å; L271-A423 HydrophobicContact CB-CB 4.42Å; L271-A423 HydrophobicContact CD1-CB 3.63Å; L271-A423 HydrophobicContact CG-CB 3.6Å; L271-N425 PolarHBondContact N-O 2.87Å; L271-I426 HydrophobicContact CB-CG1 4.49Å; L271-I426 CarbonylContact O-C 3.51Å; L271-I426 WeakPolarHBondContact O-CA 3.45Å; L271-L427 PolarHBondContact O-N 3.38Å
272	L	93.2	Very high	89.9	Confident	1 Å²	1	23.1 Å²	23.1	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	119.6	171.1	-178.2	62.9	0	0	0	110.1	K280 F283 L284 A391 V392 G393 L427 I429	L272-K280 HydrophobicContact CD2-CB 3.88Å; L272-K280 HydrophobicContact CD2-CG 4.42Å; L272-K280 VanDerWaalsContact CD2-O 3.3Å; L272-K280 WeakPolarHBondContact CD2-O 3.33Å; L272-K280 HydrophobicContact CG-CB 4.22Å; L272-K280 HydrophobicContact CG-CD 4.49Å; L272-K280 HydrophobicContact CG-CG 4.26Å; L272-F283 HydrophobicContact CD1-CD1 4.42Å; L272-F283 HydrophobicContact CD1-CE1 4.49Å; L272-F283 HydrophobicContact CD2-CD1 3.81Å; L272-F283 HydrophobicContact CD2-CE1 4.4Å; L272-L284 HydrophobicContact CD2-CB 4.28Å; L272-A391 PolarHBondContact N-O 3.25Å; L272-V392 WeakPolarHBondContact O-CA 3.27Å; L272-G393 PolarHBondContact O-N 2.94Å; L272-L427 CarbonylContact C-O 3.59Å; L272-L427 WeakPolarHBondContact CA-O 3.45Å; L272-L427 HydrophobicContact CD1-CB 3.84Å; L272-I429 HydrophobicContact CD1-CD1 4.35Å; L272-I429 HydrophobicContact CD1-CG1 4.28Å
273	T	90	Very high	90.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	167.5	-178.4	-163.4	0	0	0	0	112.6	G393 I426 L427 R428 I429	T273-G393 WeakPolarHBondContact CB-O 3.04Å; T273-G393 PolarHBondContact OG1-O 3.1Å; T273-I426 HydrophobicContact CG2-CG2 4.21Å; T273-L427 PolarHBondContact N-O 2.83Å; T273-R428 HydrophobicContact CG2-CB 3.95Å; T273-R428 HydrophobicContact CG2-CG 4.19Å; T273-R428 VanDerWaalsContact O-CA 3.28Å; T273-R428 WeakPolarHBondContact O-CA 3.27Å; T273-I429 PolarHBondContact O-N 2.64Å
274	G	86.4	Confident	90.4	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	13%	0.128	C	C	.	.			trans	149.4	164.8	-173.7	0	0	0	0	0	112.2	K280 I429	G274-K280 PolarHBondContact O-NZ 2.72Å; G274-I429 WeakPolarHBondContact CA-O 3.42Å
275	P	82.1	Confident	90.4	Very high	46 Å²	46	21 Å²	21	30%	0.299	13%	0.129	S	C	.	.	S	Bend	trans	-62.1	163.2	-177.5	23.8	-27.6	0	0	0	112.3	C278 K280 I429 T431	P275-C278 HydrophobicContact CG-CB 4Å; P275-C278 PolarHBondContact O-N 2.68Å; P275-C278 PolarHBondContact O-SG 3.46Å; P275-K280 PolarHBondContact O-NZ 3.39Å; P275-I429 WeakPolarHBondContact CD-O 3.45Å; P275-T431 HydrophobicContact CG-CG2 4.31Å
276	Y	80.5	Confident	90.4	Very high	121 Å²	121	20.3 Å²	20.3	48%	0.475	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	142.7	174.9	-68.7	-90.2	0	0	0	110.1	C278 H394 Q397	Y276-C278 VanDerWaalsContact C-N 3.26Å; Y276-C278 PolarHBondContact O-N 3.05Å; Y276-H394 AromaticContact CD1-ND1 3.52Å; Y276-H394 HydrophobicContact CE1-CB 4.23Å; Y276-H394 AromaticContact CE1-ND1 3.34Å; Y276-H394 VanDerWaalsContact CE1-ND1 3.34Å; Y276-H394 WeakPolarHBondContact CE1-ND1 3.09Å; Y276-H394 AromaticContact CZ-ND1 3.93Å; Y276-Q397 HydrophobicContact CE2-CG 4.22Å
277	G	82.3	Confident	90.5	Very high	80 Å²	80	17.1 Å²	17.1	83%	0.825	11%	0.11	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.1	2.2	178.9	0	0	0	0	0	116.6	G279	G277-G279 VanDerWaalsContact C-N 3.25Å; G277-G279 PolarHBondContact O-N 2.86Å
278	C	87.4	Confident	90.5	Very high	4 Å²	4	16.9 Å²	16.9	3%	0.027	11%	0.107	C	C	.	.	S	Bend	trans	-74.5	-8.1	-177.1	68.2	0	0	0	0	115.6	P275 Y276 K280 I429 T431 K443	P275-C278 HydrophobicContact CG-CB 4Å; P275-C278 PolarHBondContact O-N 2.68Å; P275-C278 PolarHBondContact O-SG 3.46Å; Y276-C278 VanDerWaalsContact C-N 3.26Å; Y276-C278 PolarHBondContact O-N 3.05Å; C278-K280 VanDerWaalsContact SG-CG 3.58Å; C278-I429 HydrophobicContact CB-CG2 3.96Å; C278-T431 HydrophobicContact CB-CG2 3.81Å; C278-K443 WeakPolarHBondContact O-CE 3.43Å; C278-K443 PolarHBondContact O-NZ 2.76Å
279	G	89.8	Confident	90.4	Very high	13 Å²	13	16.9 Å²	16.9	13%	0.134	11%	0.107	C	C	.	.	S	Bend	trans	104.3	12.4	179	0	0	0	0	0	115.8	G277 K281 T282 F283	G277-G279 VanDerWaalsContact C-N 3.25Å; G277-G279 PolarHBondContact O-N 2.86Å; G279-K281 PolarHBondContact O-N 3.41Å; G279-T282 PolarHBondContact O-N 3.36Å; G279-F283 WeakPolarHBondContact O-CB 3.49Å; G279-F283 PolarHBondContact O-N 3.21Å
280	K	91.4	Very high	90.2	Very high	7 Å²	7	16.9 Å²	16.9	3%	0.03	11%	0.107	C	C	.	.	H	α-helix	trans	-49.4	-50.6	-179.4	-63.6	-175.9	-65.2	-74.5	0	113.9	L272 G274 P275 C278 L284 V392 H394 I429	L272-K280 HydrophobicContact CD2-CB 3.88Å; L272-K280 HydrophobicContact CD2-CG 4.42Å; L272-K280 VanDerWaalsContact CD2-O 3.3Å; L272-K280 WeakPolarHBondContact CD2-O 3.33Å; L272-K280 HydrophobicContact CG-CB 4.22Å; L272-K280 HydrophobicContact CG-CD 4.49Å; L272-K280 HydrophobicContact CG-CG 4.26Å; G274-K280 PolarHBondContact O-NZ 2.72Å; P275-K280 PolarHBondContact O-NZ 3.39Å; C278-K280 VanDerWaalsContact SG-CG 3.58Å; K280-L284 VanDerWaalsContact O-CB 3.29Å; K280-L284 WeakPolarHBondContact O-CB 3.42Å; K280-L284 PolarHBondContact O-N 2.75Å; K280-V392 HydrophobicContact CB-CG1 4.28Å; K280-V392 HydrophobicContact CD-CG1 3.92Å; K280-H394 VanDerWaalsContact CE-CE1 3.44Å; K280-H394 WeakPolarHBondContact CE-CE1 3.38Å; K280-H394 PolarHBondContact NZ-CE1 3.33Å; K280-I429 HydrophobicContact CG-CD1 4.17Å
281	K	91.4	Very high	90.1	Very high	27 Å²	27	16.9 Å²	16.9	12%	0.117	11%	0.107	C	C	.	.	H	α-helix	trans	-69.5	-43	-175.3	-55.6	-179.4	-163.8	-62.5	0	110.8	G279 F283 L284 C285 E304 I305 D361 H394	G279-K281 PolarHBondContact O-N 3.41Å; K281-F283 PolarHBondContact O-N 2.82Å; K281-L284 WeakPolarHBondContact O-CB 3.35Å; K281-L284 PolarHBondContact O-N 2.91Å; K281-L284 VanDerWaalsContact O-N 3.11Å; K281-C285 PolarHBondContact O-N 2.87Å; K281-C285 PolarHBondContact O-SG 2.94Å; K281-C285 VanDerWaalsContact O-SG 3.39Å; K281-E304 VanDerWaalsContact CE-CD 3.44Å; K281-E304 WeakPolarHBondContact CE-OE1 3.39Å; K281-E304 WeakPolarHBondContact CE-OE2 3.32Å; K281-E304 IonicContact NZ-OE1 2.62Å; K281-E304 IonicContact NZ-OE2 2.76Å; K281-E304 PolarHBondContact NZ-OE2 3.49Å; K281-I305 HydrophobicContact CB-CD1 4.3Å; K281-I305 HydrophobicContact CD-CD1 3.33Å; K281-I305 HydrophobicContact CD-CG1 3.83Å; K281-I305 HydrophobicContact CG-CD1 4.46Å; K281-D361 WeakPolarHBondContact CD-OD1 3.48Å; K281-D361 WeakPolarHBondContact CE-OD1 3.3Å; K281-D361 WeakPolarHBondContact CG-OD1 3.45Å; K281-D361 IonicContact NZ-OD1 3.43Å; K281-D361 PolarHBondContact NZ-OD1 2.94Å; K281-D361 IonicContact NZ-OD2 3.85Å; K281-H394 PolarHBondContact NZ-NE2 2.99Å
282	T	92.5	Very high	89.9	Confident	40 Å²	40	18.1 Å²	18.1	25%	0.245	12%	0.115	C	C	.	.	H	α-helix	trans	-60	-44.8	175.2	-49	0	0	0	0	112.4	G279 L284 C285 E286 Q317 F466 K471	G279-T282 PolarHBondContact O-N 3.36Å; T282-L284 VanDerWaalsContact C-N 3.32Å; T282-L284 PolarHBondContact O-N 2.79Å; T282-C285 WeakPolarHBondContact O-CB 3.37Å; T282-C285 PolarHBondContact O-N 3.45Å; T282-E286 PolarHBondContact O-N 3.46Å; T282-Q317 PolarHBondContact O-NE2 2.84Å; T282-Q317 VanDerWaalsContact O-NE2 3.1Å; T282-F466 HydrophobicContact CG2-CE2 3.95Å; T282-K471 WeakPolarHBondContact CG2-O 3.3Å
283	F	94.6	Very high	89.6	Confident	1 Å²	1	19.7 Å²	19.7	0%	0.004	12%	0.124	C	C	.	.	H	α-helix	trans	-61.4	-41.3	172.1	169.7	-96.3	0	0	0	111.8	F254 L272 G279 K281 C285 E286 Y287 I429 F445 M464 H473 L475	F254-F283 HydrophobicContact CD1-CE2 4.01Å; F254-F283 HydrophobicContact CD2-CE2 4.19Å; F254-F283 HydrophobicContact CD2-CZ 4.48Å; F254-F283 HydrophobicContact CE1-CD2 4.07Å; F254-F283 AromaticContact CE1-CE2 3.65Å; F254-F283 HydrophobicContact CE1-CE2 3.65Å; F254-F283 HydrophobicContact CE2-CD2 4.29Å; F254-F283 AromaticContact CE2-CE2 3.84Å; F254-F283 HydrophobicContact CE2-CE2 3.84Å; F254-F283 HydrophobicContact CE2-CZ 4.39Å; F254-F283 HydrophobicContact CG-CE2 4.26Å; F254-F283 AromaticContact CZ-CD2 3.76Å; F254-F283 HydrophobicContact CZ-CD2 3.76Å; F254-F283 AromaticContact CZ-CE2 3.56Å; F254-F283 HydrophobicContact CZ-CE2 3.56Å; L272-F283 HydrophobicContact CD1-CD1 4.42Å; L272-F283 HydrophobicContact CD1-CE1 4.49Å; L272-F283 HydrophobicContact CD2-CD1 3.81Å; L272-F283 HydrophobicContact CD2-CE1 4.4Å; G279-F283 WeakPolarHBondContact O-CB 3.49Å; G279-F283 PolarHBondContact O-N 3.21Å; K281-F283 PolarHBondContact O-N 2.82Å; F283-C285 VanDerWaalsContact C-N 3.31Å; F283-C285 PolarHBondContact O-N 2.87Å; F283-E286 PolarHBondContact O-N 2.68Å; F283-Y287 HydrophobicContact CE1-CD2 4.35Å; F283-Y287 HydrophobicContact CZ-CD2 4.37Å; F283-Y287 WeakPolarHBondContact O-CB 3.26Å; F283-Y287 PolarHBondContact O-N 2.66Å; F283-I429 HydrophobicContact CB-CD1 4.27Å; F283-I429 HydrophobicContact CG-CD1 4.46Å; F283-F445 AromaticContact CE1-CE2 3.89Å; F283-F445 HydrophobicContact CE1-CE2 3.89Å; F283-F445 HydrophobicContact CE1-CZ 4.46Å; F283-F445 HydrophobicContact CE2-CE2 4.14Å; F283-F445 HydrophobicContact CZ-CD2 4.45Å; F283-F445 AromaticContact CZ-CE2 3.61Å; F283-F445 HydrophobicContact CZ-CE2 3.61Å; F283-F445 HydrophobicContact CZ-CZ 4.09Å; F283-M464 HydrophobicContact CB-CE 3.64Å; F283-M464 HydrophobicContact CD2-CE 3.55Å; F283-M464 HydrophobicContact CE2-CE 4.48Å; F283-M464 HydrophobicContact CG-CE 3.8Å; F283-H473 HydrophobicContact CD2-CB 4.43Å; F283-L475 HydrophobicContact CE2-CD1 4.48Å
284	L	93.7	Very high	89.6	Confident	1 Å²	1	21.4 Å²	21.4	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-67.3	-31.3	-179.1	-170.8	56.3	0	0	0	112.6	L272 K280 K281 T282 Y287 A288 W300 V359 T390 V392	L272-L284 HydrophobicContact CD2-CB 4.28Å; K280-L284 VanDerWaalsContact O-CB 3.29Å; K280-L284 WeakPolarHBondContact O-CB 3.42Å; K280-L284 PolarHBondContact O-N 2.75Å; K281-L284 WeakPolarHBondContact O-CB 3.35Å; K281-L284 PolarHBondContact O-N 2.91Å; K281-L284 VanDerWaalsContact O-N 3.11Å; T282-L284 VanDerWaalsContact C-N 3.32Å; T282-L284 PolarHBondContact O-N 2.79Å; L284-Y287 HydrophobicContact CD1-CD1 3.97Å; L284-Y287 HydrophobicContact CD1-CG 4.39Å; L284-Y287 PolarHBondContact O-N 2.91Å; L284-A288 WeakPolarHBondContact O-CB 3.33Å; L284-A288 PolarHBondContact O-N 3.04Å; L284-W300 HydrophobicContact CB-CH2 4.13Å; L284-W300 HydrophobicContact CD2-CH2 4.32Å; L284-W300 HydrophobicContact CG-CH2 3.97Å; L284-W300 HydrophobicContact CG-CZ3 4.05Å; L284-V359 HydrophobicContact CD1-CG1 4.28Å; L284-V359 HydrophobicContact CD1-CG2 4.37Å; L284-V359 HydrophobicContact CD2-CG1 3.39Å; L284-V359 HydrophobicContact CG-CG1 3.68Å; L284-V359 HydrophobicContact CG-CG2 4.49Å; L284-T390 HydrophobicContact CD1-CG2 3.45Å; L284-T390 VanDerWaalsContact CD1-CG2 3.45Å; L284-V392 HydrophobicContact CD2-CG2 3.47Å; L284-V392 VanDerWaalsContact CD2-CG2 3.47Å
285	C	92.3	Very high	89.7	Confident	5 Å²	5	27.1 Å²	27.1	3%	0.034	16%	0.162	C	C	.	.	H	α-helix	trans	-58.7	-50.3	169	-67.8	0	0	0	0	110.9	K281 T282 F283 Y287 A288 L289 W300 M314	K281-C285 PolarHBondContact O-N 2.87Å; K281-C285 PolarHBondContact O-SG 2.94Å; K281-C285 VanDerWaalsContact O-SG 3.39Å; T282-C285 WeakPolarHBondContact O-CB 3.37Å; T282-C285 PolarHBondContact O-N 3.45Å; F283-C285 VanDerWaalsContact C-N 3.31Å; F283-C285 PolarHBondContact O-N 2.87Å; C285-Y287 VanDerWaalsContact C-N 3.34Å; C285-Y287 PolarHBondContact O-N 3.49Å; C285-A288 PolarHBondContact O-N 2.91Å; C285-L289 VanDerWaalsContact O-CG 3.24Å; C285-L289 WeakPolarHBondContact O-CG 3.37Å; C285-L289 PolarHBondContact O-N 3.22Å; C285-W300 HydrophobicContact CB-CH2 4.48Å; C285-W300 VanDerWaalsContact SG-CH2 3.56Å; C285-M314 HydrophobicContact CB-CE 4.11Å; C285-M314 HydrophobicContact CB-CG 3.77Å
286	E	91.5	Very high	90	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-64.3	-39.8	178.8	-61.4	173.7	-107.9	0	0	112.5	R253 F254 T282 F283 A288 L289 D290 Q317 C472 H473	R253-E286 IonicContact CZ-OE2 3.74Å; R253-E286 IonicContact NH2-OE2 3.63Å; R253-E286 PolarHBondContact NH2-OE2 3.14Å; F254-E286 HydrophobicContact CE2-CB 3.9Å; F254-E286 HydrophobicContact CZ-CB 3.83Å; T282-E286 PolarHBondContact O-N 3.46Å; F283-E286 PolarHBondContact O-N 2.68Å; E286-A288 VanDerWaalsContact C-N 3.33Å; E286-L289 PolarHBondContact O-N 3.26Å; E286-D290 WeakPolarHBondContact O-CB 3.38Å; E286-D290 PolarHBondContact O-N 3.38Å; E286-Q317 HydrophobicContact CG-CB 4.43Å; E286-Q317 HydrophobicContact CG-CG 4.16Å; E286-Q317 VanDerWaalsContact CG-NE2 3.29Å; E286-Q317 PolarHBondContact OE1-NE2 3.14Å; E286-C472 VanDerWaalsContact CD-CA 3.46Å; E286-C472 WeakPolarHBondContact OE1-CA 3.38Å; E286-C472 VanDerWaalsContact OE2-CA 3.24Å; E286-C472 WeakPolarHBondContact OE2-CA 3.49Å; E286-C472 VanDerWaalsContact OE2-CB 3.24Å; E286-C472 WeakPolarHBondContact OE2-CB 3.3Å; E286-H473 IonicContact OE1-CE1 3.52Å; E286-H473 IonicContact OE1-CG 2.81Å; E286-H473 PolarHBondContact OE1-N 2.63Å; E286-H473 IonicContact OE1-ND1 3.41Å; E286-H473 PolarHBondContact OE1-ND1 3.36Å; E286-H473 PolarHBondContact OE2-N 3.03Å
287	Y	93.7	Very high	90.4	Very high	1 Å²	1	19.6 Å²	19.6	0%	0.004	13%	0.129	C	C	.	.	H	α-helix	trans	-61	-43.3	175.6	177.1	-82.2	0	0	0	111.2	W251 F283 L284 C285 L291 H357 T390	W251-Y287 AromaticContact CD1-CE2 3.93Å; W251-Y287 AromaticContact CE2-CE2 3.56Å; W251-Y287 AromaticContact CE2-CZ 3.88Å; W251-Y287 AromaticContact CZ2-CE2 3.85Å; W251-Y287 HydrophobicContact CZ2-CE2 3.85Å; W251-Y287 AromaticContact CZ2-CZ 3.87Å; W251-Y287 VanDerWaalsContact CZ2-OH 3.24Å; W251-Y287 WeakPolarHBondContact CZ2-OH 3.45Å; W251-Y287 AromaticContact NE1-CD2 3.65Å; W251-Y287 AromaticContact NE1-CE2 3.04Å; W251-Y287 AromaticContact NE1-CZ 3.39Å; F283-Y287 HydrophobicContact CE1-CD2 4.35Å; F283-Y287 HydrophobicContact CZ-CD2 4.37Å; F283-Y287 WeakPolarHBondContact O-CB 3.26Å; F283-Y287 PolarHBondContact O-N 2.66Å; L284-Y287 HydrophobicContact CD1-CD1 3.97Å; L284-Y287 HydrophobicContact CD1-CG 4.39Å; L284-Y287 PolarHBondContact O-N 2.91Å; C285-Y287 VanDerWaalsContact C-N 3.34Å; C285-Y287 PolarHBondContact O-N 3.49Å; Y287-L291 HydrophobicContact CD1-CD1 3.98Å; Y287-L291 HydrophobicContact CE1-CD1 3.51Å; Y287-L291 WeakPolarHBondContact O-CG 3.39Å; Y287-L291 PolarHBondContact O-N 2.71Å; Y287-H357 AromaticContact CD1-CE1 3.99Å; Y287-H357 AromaticContact CE1-CE1 3.73Å; Y287-H357 AromaticContact CE1-NE2 3.74Å; Y287-T390 HydrophobicContact CE1-CG2 4.4Å
288	A	92	Very high	90.8	Very high	2 Å²	2	16 Å²	16	2%	0.017	9%	0.091	C	C	.	.	H	α-helix	trans	-66.1	-42.3	175.2	0	0	0	0	0	111.5	L284 C285 E286 D290 L291 C292 T298 W300 M314 V359	L284-A288 WeakPolarHBondContact O-CB 3.33Å; L284-A288 PolarHBondContact O-N 3.04Å; C285-A288 PolarHBondContact O-N 2.91Å; E286-A288 VanDerWaalsContact C-N 3.33Å; A288-D290 PolarHBondContact O-N 2.85Å; A288-L291 PolarHBondContact O-N 3.41Å; A288-C292 PolarHBondContact O-N 3.33Å; A288-C292 PolarHBondContact O-SG 3.05Å; A288-T298 HydrophobicContact CB-CG2 4.18Å; A288-W300 HydrophobicContact CB-CE3 4.31Å; A288-W300 HydrophobicContact CB-CZ3 4.12Å; A288-M314 HydrophobicContact CB-CE 4.25Å; A288-V359 HydrophobicContact CB-CG2 4.22Å
289	L	90.3	Very high	91	Very high	4 Å²	4	15.8 Å²	15.8	2%	0.021	9%	0.089	C	C	.	.	H	α-helix	trans	-61.4	-41.7	177.7	-70.2	168.2	0	0	0	112.6	C285 E286 L291 C292 D293 M314 Q317 Y318 L331	C285-L289 VanDerWaalsContact O-CG 3.24Å; C285-L289 WeakPolarHBondContact O-CG 3.37Å; C285-L289 PolarHBondContact O-N 3.22Å; E286-L289 PolarHBondContact O-N 3.26Å; L289-L291 PolarHBondContact O-N 3.02Å; L289-C292 PolarHBondContact O-N 3.11Å; L289-D293 WeakPolarHBondContact O-CB 3.36Å; L289-D293 PolarHBondContact O-N 3.41Å; L289-M314 HydrophobicContact CD1-CB 4.11Å; L289-M314 HydrophobicContact CD1-CG 4.26Å; L289-M314 WeakPolarHBondContact CD1-O 3.4Å; L289-M314 HydrophobicContact CD2-CB 4.14Å; L289-M314 HydrophobicContact CD2-CG 4.41Å; L289-M314 HydrophobicContact CG-CB 4.41Å; L289-M314 HydrophobicContact CG-CG 4.33Å; L289-Q317 HydrophobicContact CD1-CB 3.92Å; L289-Y318 HydrophobicContact CD2-CD2 4.15Å; L289-L331 HydrophobicContact CD2-CD1 4.41Å; L289-L331 HydrophobicContact CD2-CD2 3.16Å; L289-L331 HydrophobicContact CD2-CG 4.42Å
290	D	91.5	Very high	91	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.005	8%	0.084	C	C	.	.	H	α-helix	trans	-59.6	-34.6	176.7	-172.7	38	0	0	0	112.5	W251 K252 R253 E286 A288 Q294	W251-D290 WeakPolarHBondContact CA-OD2 3.34Å; W251-D290 VanDerWaalsContact CB-OD2 3.3Å; W251-D290 WeakPolarHBondContact CB-OD2 3.45Å; K252-D290 WeakPolarHBondContact CB-OD1 2.89Å; K252-D290 PolarHBondContact N-OD1 2.78Å; K252-D290 VanDerWaalsContact N-OD1 3.1Å; K252-D290 PolarHBondContact N-OD2 2.89Å; R253-D290 HydrophobicContact CB-CB 4.12Å; R253-D290 HydrophobicContact CG-CB 4.15Å; R253-D290 PolarHBondContact N-OD1 3.26Å; R253-D290 PolarHBondContact N-OD2 3.09Å; E286-D290 WeakPolarHBondContact O-CB 3.38Å; E286-D290 PolarHBondContact O-N 3.38Å; A288-D290 PolarHBondContact O-N 2.85Å; D290-Q294 WeakPolarHBondContact O-CG 3.43Å; D290-Q294 PolarHBondContact O-NE2 3.15Å
291	L	92	Very high	90.8	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-79.2	-42.6	176.7	-64.7	173.2	0	0	0	111.5	V249 F264 Y287 A288 L289 D293 Q294 N295 V296	V249-L291 HydrophobicContact CG2-CD2 3.5Å; F264-L291 HydrophobicContact CB-CD2 4.09Å; F264-L291 HydrophobicContact CD1-CD2 4.47Å; F264-L291 HydrophobicContact CD2-CD1 3.61Å; F264-L291 HydrophobicContact CD2-CD2 3.85Å; F264-L291 HydrophobicContact CD2-CG 4.41Å; F264-L291 HydrophobicContact CE2-CD1 3.44Å; F264-L291 VanDerWaalsContact CE2-CD1 3.44Å; F264-L291 HydrophobicContact CE2-CD2 4.36Å; F264-L291 HydrophobicContact CG-CD1 4.42Å; F264-L291 HydrophobicContact CG-CD2 3.89Å; F264-L291 HydrophobicContact CZ-CD1 4.14Å; Y287-L291 HydrophobicContact CD1-CD1 3.98Å; Y287-L291 HydrophobicContact CE1-CD1 3.51Å; Y287-L291 WeakPolarHBondContact O-CG 3.39Å; Y287-L291 PolarHBondContact O-N 2.71Å; A288-L291 PolarHBondContact O-N 3.41Å; L289-L291 PolarHBondContact O-N 3.02Å; L291-D293 VanDerWaalsContact C-N 3.31Å; L291-D293 PolarHBondContact O-N 3.48Å; L291-Q294 CarbonylContact O-C 3.51Å; L291-Q294 WeakPolarHBondContact O-CA 3.35Å; L291-Q294 PolarHBondContact O-N 3.25Å; L291-N295 PolarHBondContact O-N 2.89Å; L291-V296 HydrophobicContact CB-CB 3.98Å; L291-V296 HydrophobicContact CB-CG1 4.38Å; L291-V296 HydrophobicContact CB-CG2 4.33Å; L291-V296 VanDerWaalsContact O-CB 3.32Å; L291-V296 WeakPolarHBondContact O-CB 3.33Å; L291-V296 PolarHBondContact O-N 3.4Å
292	C	88.7	Confident	90.4	Very high	26 Å²	26	14.2 Å²	14.2	18%	0.176	8%	0.081	C	C	.	.	H	α-helix	trans	-59.6	-40.4	175.9	-71.8	0	0	0	0	112.2	A288 L289 Q294 N295	A288-C292 PolarHBondContact O-N 3.33Å; A288-C292 PolarHBondContact O-SG 3.05Å; L289-C292 PolarHBondContact O-N 3.11Å; C292-Q294 PolarHBondContact O-N 2.94Å; C292-Q294 VanDerWaalsContact O-N 3.12Å; C292-N295 PolarHBondContact O-N 3.01Å
293	D	87.1	Confident	89.9	Confident	34 Å²	34	14.6 Å²	14.6	18%	0.182	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-14.9	176.3	-163.1	45.5	0	0	0	113	L289 L291 Y318 R322	L289-D293 WeakPolarHBondContact O-CB 3.36Å; L289-D293 PolarHBondContact O-N 3.41Å; L291-D293 VanDerWaalsContact C-N 3.31Å; L291-D293 PolarHBondContact O-N 3.48Å; D293-Y318 PolarHBondContact OD1-OH 2.7Å; D293-R322 IonicContact OD1-CZ 2.64Å; D293-R322 IonicContact OD1-NE 2.63Å; D293-R322 IonicContact OD1-NH2 2.68Å; D293-R322 PolarHBondContact OD1-NH2 3.04Å; D293-R322 IonicContact OD2-CZ 3.5Å; D293-R322 IonicContact OD2-NE 3.06Å; D293-R322 IonicContact OD2-NH2 3.58Å; D293-R322 PolarHBondContact OD2-NH2 3.27Å
294	Q	89.9	Confident	89.1	Confident	36 Å²	36	18.8 Å²	18.8	17%	0.168	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	20.8	175.4	-62	-176.3	84.4	0	0	112.2	V249 Q250 K252 D290 L291 C292 V296	V249-Q294 HydrophobicContact CG1-CB 4.38Å; Q250-Q294 PolarHBondContact O-NE2 3.17Å; Q250-Q294 PolarHBondContact O-OE1 2.84Å; K252-Q294 HydrophobicContact CD-CG 3.98Å; D290-Q294 WeakPolarHBondContact O-CG 3.43Å; D290-Q294 PolarHBondContact O-NE2 3.15Å; L291-Q294 CarbonylContact O-C 3.51Å; L291-Q294 WeakPolarHBondContact O-CA 3.35Å; L291-Q294 PolarHBondContact O-N 3.25Å; C292-Q294 PolarHBondContact O-N 2.94Å; C292-Q294 VanDerWaalsContact O-N 3.12Å; Q294-V296 VanDerWaalsContact C-N 3.28Å; Q294-V296 PolarHBondContact O-N 2.92Å
295	N	88.1	Confident	88.6	Confident	120 Å²	120	21.2 Å²	21.2	64%	0.642	11%	0.113	S	C	*	.	T	Hydrogen-bonded Turn	trans	65	20.3	-179.8	-60.2	-55.8	0	0	0	115.5	L291 C292 S297	L291-N295 PolarHBondContact O-N 2.89Å; C292-N295 PolarHBondContact O-N 3.01Å; N295-S297 PolarHBondContact O-N 2.85Å
296	V	89.9	Confident	88.2	Confident	3 Å²	3	24.3 Å²	24.3	2%	0.018	13%	0.133	C	C	.	.			trans	-81.4	108.3	171	-176.6	0	0	0	0	109.2	V249 F264 L291 Q294 T298 Q356 H357	V249-V296 HydrophobicContact CB-CG2 4.46Å; V249-V296 HydrophobicContact CG1-CG2 3.82Å; V249-V296 HydrophobicContact CG2-CG2 3.78Å; F264-V296 HydrophobicContact CE1-CG1 3.95Å; F264-V296 HydrophobicContact CZ-CG1 4.14Å; L291-V296 HydrophobicContact CB-CB 3.98Å; L291-V296 HydrophobicContact CB-CG1 4.38Å; L291-V296 HydrophobicContact CB-CG2 4.33Å; L291-V296 VanDerWaalsContact O-CB 3.32Å; L291-V296 WeakPolarHBondContact O-CB 3.33Å; L291-V296 PolarHBondContact O-N 3.4Å; Q294-V296 VanDerWaalsContact C-N 3.28Å; Q294-V296 PolarHBondContact O-N 2.92Å; V296-T298 PolarHBondContact O-N 2.79Å; V296-T298 VanDerWaalsContact O-N 3.1Å; V296-T298 PolarHBondContact O-OG1 2.91Å; V296-Q356 HydrophobicContact CG1-CB 3.92Å; V296-H357 HydrophobicContact CG1-CB 3.85Å
297	S	89.1	Confident	87.8	Confident	7 Å²	7	25.7 Å²	25.7	5%	0.049	14%	0.143	C	C	.	.			trans	-60.1	110.9	174.3	48.9	0	0	0	0	110.3	N295 D354 I355 Q356 H357	N295-S297 PolarHBondContact O-N 2.85Å; S297-D354 WeakPolarHBondContact CB-O 3.46Å; S297-D354 PolarHBondContact OG-O 2.98Å; S297-I355 WeakPolarHBondContact OG-CA 3.48Å; S297-Q356 PolarHBondContact O-N 2.95Å; S297-Q356 PolarHBondContact OG-N 2.55Å; S297-Q356 VanDerWaalsContact OG-N 3.09Å; S297-H357 PolarHBondContact O-N 3.26Å
298	T	90.9	Very high	87.4	Confident	4 Å²	4	29.3 Å²	29.3	3%	0.025	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	124.5	-174.2	-64.5	0	0	0	0	110.7	A288 V296 V333 H357 V359	A288-T298 HydrophobicContact CB-CG2 4.18Å; V296-T298 PolarHBondContact O-N 2.79Å; V296-T298 VanDerWaalsContact O-N 3.1Å; V296-T298 PolarHBondContact O-OG1 2.91Å; T298-V333 WeakPolarHBondContact O-CB 3.42Å; T298-V333 WeakPolarHBondContact O-CG2 3.43Å; T298-H357 CarbonylContact C-O 3.51Å; T298-H357 VanDerWaalsContact CA-O 3.26Å; T298-H357 WeakPolarHBondContact CA-O 3.39Å; T298-H357 HydrophobicContact CG2-CB 4.16Å; T298-H357 WeakPolarHBondContact CG2-ND1 3.45Å; T298-H357 WeakPolarHBondContact OG1-CB 3.48Å; T298-H357 PolarHBondContact OG1-ND1 2.84Å; T298-H357 VanDerWaalsContact OG1-ND1 3.09Å; T298-V359 HydrophobicContact CG2-CG2 3.91Å
299	L	90.3	Very high	87.2	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	116.6	171.3	168.2	63	0	0	0	110.9	V333 Y335 M345 I346 H349 I355 H357 V358 V359	L299-V333 HydrophobicContact CB-CG1 4.23Å; L299-V333 HydrophobicContact CD1-CG1 3.42Å; L299-V333 VanDerWaalsContact CD1-CG1 3.42Å; L299-V333 HydrophobicContact CG-CG1 4.42Å; L299-Y335 HydrophobicContact CD1-CD2 3.46Å; L299-Y335 VanDerWaalsContact CD1-CD2 3.46Å; L299-Y335 HydrophobicContact CD1-CE2 4.37Å; L299-Y335 HydrophobicContact CD1-CG 4.22Å; L299-M345 HydrophobicContact CD2-SD 4.41Å; L299-I346 HydrophobicContact CD2-CB 4.5Å; L299-I346 HydrophobicContact CD2-CG1 4.16Å; L299-I346 HydrophobicContact CD2-CG2 4.35Å; L299-H349 HydrophobicContact CD2-CB 4.04Å; L299-I355 HydrophobicContact CB-CD1 4.29Å; L299-I355 HydrophobicContact CB-CG1 4.26Å; L299-I355 HydrophobicContact CB-CG2 3.65Å; L299-H357 PolarHBondContact N-O 3.12Å; L299-V358 HydrophobicContact CB-CG2 4.34Å; L299-V358 HydrophobicContact CD2-CG1 4.28Å; L299-V358 HydrophobicContact CD2-CG2 4.32Å; L299-V358 HydrophobicContact CG-CG1 4.38Å; L299-V358 CarbonylContact O-C 3.57Å; L299-V358 WeakPolarHBondContact O-CA 3.42Å; L299-V359 PolarHBondContact O-N 3.24Å
300	W	90.3	Very high	87.1	Confident	5 Å²	5	34.9 Å²	34.9	2%	0.019	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	116.4	172.8	-167.7	-79.1	0	0	0	112.7	L284 C285 A288 T310 M314 F334 Y335 V359	L284-W300 HydrophobicContact CB-CH2 4.13Å; L284-W300 HydrophobicContact CD2-CH2 4.32Å; L284-W300 HydrophobicContact CG-CH2 3.97Å; L284-W300 HydrophobicContact CG-CZ3 4.05Å; C285-W300 HydrophobicContact CB-CH2 4.48Å; C285-W300 VanDerWaalsContact SG-CH2 3.56Å; A288-W300 HydrophobicContact CB-CE3 4.31Å; A288-W300 HydrophobicContact CB-CZ3 4.12Å; W300-T310 HydrophobicContact CD2-CG2 4.07Å; W300-T310 HydrophobicContact CG-CG2 4.49Å; W300-T310 HydrophobicContact CH2-CG2 4.24Å; W300-T310 HydrophobicContact CZ2-CG2 3.62Å; W300-M314 HydrophobicContact CD2-CE 3.84Å; W300-M314 HydrophobicContact CE3-CE 3.18Å; W300-M314 HydrophobicContact CH2-CE 4Å; W300-M314 HydrophobicContact CZ3-CE 3.25Å; W300-F334 HydrophobicContact CB-CD1 4.46Å; W300-Y335 PolarHBondContact O-N 3.14Å; W300-V359 HydrophobicContact CD2-CB 4.03Å; W300-V359 HydrophobicContact CD2-CG1 3.72Å; W300-V359 HydrophobicContact CE3-CB 3.59Å; W300-V359 HydrophobicContact CE3-CG1 3.37Å; W300-V359 HydrophobicContact CE3-CG2 3.91Å; W300-V359 HydrophobicContact CH2-CG1 3.84Å; W300-V359 HydrophobicContact CZ2-CG1 4.1Å; W300-V359 HydrophobicContact CZ3-CB 4.08Å; W300-V359 HydrophobicContact CZ3-CG1 3.46Å; W300-V359 VanDerWaalsContact CZ3-CG1 3.46Å; W300-V359 HydrophobicContact CZ3-CG2 4.18Å
301	C	87.7	Confident	86.8	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	91.2	173.6	-59.9	0	0	0	0	110	L303 F342 V359 I360 D361	C301-L303 PolarHBondContact O-N 2.79Å; C301-F342 HydrophobicContact CB-CE2 3.98Å; C301-F342 HydrophobicContact CB-CZ 3.98Å; C301-V359 WeakPolarHBondContact CA-O 3.46Å; C301-V359 VanDerWaalsContact CB-O 3.31Å; C301-V359 WeakPolarHBondContact CB-O 3.44Å; C301-V359 PolarHBondContact N-O 3.27Å; C301-I360 HydrophobicContact CB-CG1 4.45Å; C301-D361 PolarHBondContact O-N 3.06Å
302	G	83.2	Confident	86.6	Confident	8 Å²	8	37.9 Å²	37.9	8%	0.082	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	108.6	177.7	0	0	0	0	0	112
303	L	80.2	Confident	86.6	Confident	49 Å²	49	38.1 Å²	38.1	26%	0.257	23%	0.225	S	C	.	.	S	Bend	trans	-103.5	-21.9	177.2	-53.7	172.9	0	0	0	113.5	C301 V337 F342 I360 D361 L365 I366	C301-L303 PolarHBondContact O-N 2.79Å; L303-V337 HydrophobicContact CD2-CB 4.26Å; L303-V337 HydrophobicContact CD2-CG2 4.49Å; L303-F342 HydrophobicContact CD1-CE2 4.26Å; L303-F342 HydrophobicContact CD2-CE2 4.18Å; L303-I360 HydrophobicContact CD1-CG2 4.21Å; L303-D361 VanDerWaalsContact CB-O 3.28Å; L303-D361 WeakPolarHBondContact CB-O 3.24Å; L303-D361 PolarHBondContact N-O 2.86Å; L303-L365 HydrophobicContact CB-CB 4.2Å; L303-L365 HydrophobicContact CB-CD1 3.88Å; L303-L365 HydrophobicContact CD1-CB 4.17Å; L303-I366 HydrophobicContact CD1-CD1 4.24Å; L303-I366 HydrophobicContact CD1-CG1 3.53Å
304	E	79.4	Confident	86.7	Confident	89 Å²	89	37 Å²	37	42%	0.416	22%	0.218	S	C	.	.	S	Bend	trans	-109.9	-47.3	-178.7	-170.7	178.6	148.7	0	0	111.9	K281 N362 L365 H394	K281-E304 VanDerWaalsContact CE-CD 3.44Å; K281-E304 WeakPolarHBondContact CE-OE1 3.39Å; K281-E304 WeakPolarHBondContact CE-OE2 3.32Å; K281-E304 IonicContact NZ-OE1 2.62Å; K281-E304 IonicContact NZ-OE2 2.76Å; K281-E304 PolarHBondContact NZ-OE2 3.49Å; E304-N362 HydrophobicContact CB-CB 4.33Å; E304-N362 WeakPolarHBondContact OE2-CB 3.22Å; E304-N362 PolarHBondContact OE2-ND2 3.22Å; E304-L365 HydrophobicContact CB-CD1 4.2Å; E304-H394 IonicContact OE2-NE2 3.95Å
305	I	82.2	Confident	86.6	Confident	52 Å²	52	36.8 Å²	36.8	27%	0.267	22%	0.219	S	C	.	.	S	Bend	trans	-94.7	133.7	179.2	-60.9	-173.3	0	0	0	111.1	K281 Q309 T310 D361	K281-I305 HydrophobicContact CB-CD1 4.3Å; K281-I305 HydrophobicContact CD-CD1 3.33Å; K281-I305 HydrophobicContact CD-CG1 3.83Å; K281-I305 HydrophobicContact CG-CD1 4.46Å; I305-Q309 HydrophobicContact CG2-CB 3.83Å; I305-T310 WeakPolarHBondContact CG2-OG1 3.25Å; I305-D361 PolarHBondContact N-OD2 3.03Å
306	P	84.3	Confident	86.5	Confident	70 Å²	70	34.8 Å²	34.8	46%	0.455	21%	0.206	S	C	.	.			trans	-55.5	138.9	171.9	-25	34.2	0	0	0	112.6	A308 Q309 T310	P306-A308 PolarHBondContact O-N 2.93Å; P306-A308 VanDerWaalsContact O-N 3.15Å; P306-Q309 PolarHBondContact O-N 2.8Å; P306-T310 PolarHBondContact O-N 2.9Å; P306-T310 PolarHBondContact O-OG1 3.27Å
307	S	82.9	Confident	86.6	Confident	29 Å²	29	34.7 Å²	34.7	20%	0.203	21%	0.205	C	C	.	.	H	α-helix	trans	-54.8	-38.4	-176.8	-51.2	0	0	0	0	113	Q309 T310 A311	S307-Q309 PolarHBondContact O-N 3.47Å; S307-T310 PolarHBondContact O-N 2.68Å; S307-A311 WeakPolarHBondContact O-CB 3.48Å; S307-A311 PolarHBondContact O-N 2.82Å
308	A	85.2	Confident	86.5	Confident	77 Å²	77	35.3 Å²	35.3	64%	0.636	21%	0.207	S	C	*	.	H	α-helix	trans	-60.7	-39.7	178.2	0	0	0	0	0	113.3	P306 A312	P306-A308 PolarHBondContact O-N 2.93Å; P306-A308 VanDerWaalsContact O-N 3.15Å; A308-A312 WeakPolarHBondContact O-CB 3.05Å; A308-A312 PolarHBondContact O-N 2.88Å
309	Q	87.9	Confident	86.2	Confident	119 Å²	119	36.4 Å²	36.4	56%	0.556	22%	0.216	S	C	*	.	H	α-helix	trans	-72.4	-37.6	178.4	-66.5	-178.1	12.3	0	0	111.7	I305 P306 S307 T313	I305-Q309 HydrophobicContact CG2-CB 3.83Å; P306-Q309 PolarHBondContact O-N 2.8Å; S307-Q309 PolarHBondContact O-N 3.47Å; Q309-T313 PolarHBondContact O-N 3.32Å; Q309-T313 PolarHBondContact O-OG1 3.19Å
310	T	87.7	Confident	85.9	Confident	4 Å²	4	44.2 Å²	44.2	3%	0.025	25%	0.246	C	C	.	.	H	α-helix	trans	-63.6	-46.3	174.6	-53.9	0	0	0	0	110.1	W300 I305 P306 S307 T313 M314 F334	W300-T310 HydrophobicContact CD2-CG2 4.07Å; W300-T310 HydrophobicContact CG-CG2 4.49Å; W300-T310 HydrophobicContact CH2-CG2 4.24Å; W300-T310 HydrophobicContact CZ2-CG2 3.62Å; I305-T310 WeakPolarHBondContact CG2-OG1 3.25Å; P306-T310 PolarHBondContact O-N 2.9Å; P306-T310 PolarHBondContact O-OG1 3.27Å; S307-T310 PolarHBondContact O-N 2.68Å; T310-T313 WeakPolarHBondContact O-CB 3.43Å; T310-T313 PolarHBondContact O-N 2.75Å; T310-M314 HydrophobicContact CG2-CE 4.04Å; T310-M314 HydrophobicContact CG2-SD 4.39Å; T310-M314 WeakPolarHBondContact O-CG 3.46Å; T310-M314 PolarHBondContact O-N 2.74Å; T310-F334 HydrophobicContact CG2-CE1 3.93Å
311	A	85.6	Confident	85.4	Confident	16 Å²	16	48.3 Å²	48.3	13%	0.132	26%	0.262	C	S	.	.	H	α-helix	trans	-60.3	-48.6	177.2	0	0	0	0	0	112.2	S307 T313 M314 V315 F334	S307-A311 WeakPolarHBondContact O-CB 3.48Å; S307-A311 PolarHBondContact O-N 2.82Å; A311-T313 VanDerWaalsContact C-N 3.29Å; A311-T313 PolarHBondContact O-N 3.07Å; A311-M314 PolarHBondContact O-N 2.86Å; A311-M314 VanDerWaalsContact O-N 3.13Å; A311-V315 VanDerWaalsContact O-CG2 3.29Å; A311-V315 WeakPolarHBondContact O-CG2 3.36Å; A311-V315 PolarHBondContact O-N 2.97Å; A311-F334 HydrophobicContact CB-CD2 4.31Å; A311-F334 HydrophobicContact CB-CE1 3.88Å; A311-F334 HydrophobicContact CB-CE2 3.61Å; A311-F334 HydrophobicContact CB-CZ 3.38Å
312	A	87.4	Confident	85	Confident	48 Å²	48	53.1 Å²	53.1	40%	0.397	28%	0.28	S	S	.	.	H	α-helix	trans	-56.5	-44.5	175.9	0	0	0	0	0	111.8	A308 M314 V315 E316	A308-A312 WeakPolarHBondContact O-CB 3.05Å; A308-A312 PolarHBondContact O-N 2.88Å; A312-M314 PolarHBondContact O-N 2.96Å; A312-V315 PolarHBondContact O-N 3.34Å; A312-E316 WeakPolarHBondContact O-CG 3.06Å; A312-E316 PolarHBondContact O-N 3Å
313	T	89.3	Confident	84.6	Confident	31 Å²	31	59.9 Å²	59.9	19%	0.19	31%	0.314	C	S	.	.	H	α-helix	trans	-61.1	-44.4	176.7	-56.2	0	0	0	0	111.6	Q309 T310 A311 E316 Q317	Q309-T313 PolarHBondContact O-N 3.32Å; Q309-T313 PolarHBondContact O-OG1 3.19Å; T310-T313 WeakPolarHBondContact O-CB 3.43Å; T310-T313 PolarHBondContact O-N 2.75Å; A311-T313 VanDerWaalsContact C-N 3.29Å; A311-T313 PolarHBondContact O-N 3.07Å; T313-E316 PolarHBondContact O-N 3.28Å; T313-Q317 HydrophobicContact CG2-CG 4.41Å; T313-Q317 WeakPolarHBondContact O-CB 3.02Å; T313-Q317 WeakPolarHBondContact O-CG 3.42Å; T313-Q317 PolarHBondContact O-N 3.28Å
314	M	89.2	Confident	84.1	Confident	10 Å²	10	63.4 Å²	63.4	5%	0.049	33%	0.329	C	S	.	.	H	α-helix	trans	-63.9	-42.8	178.6	-76.6	178.2	171.7	0	0	112.6	C285 A288 L289 W300 T310 A311 A312 Q317 Y318 L331 F334	C285-M314 HydrophobicContact CB-CE 4.11Å; C285-M314 HydrophobicContact CB-CG 3.77Å; A288-M314 HydrophobicContact CB-CE 4.25Å; L289-M314 HydrophobicContact CD1-CB 4.11Å; L289-M314 HydrophobicContact CD1-CG 4.26Å; L289-M314 WeakPolarHBondContact CD1-O 3.4Å; L289-M314 HydrophobicContact CD2-CB 4.14Å; L289-M314 HydrophobicContact CD2-CG 4.41Å; L289-M314 HydrophobicContact CG-CB 4.41Å; L289-M314 HydrophobicContact CG-CG 4.33Å; W300-M314 HydrophobicContact CD2-CE 3.84Å; W300-M314 HydrophobicContact CE3-CE 3.18Å; W300-M314 HydrophobicContact CH2-CE 4Å; W300-M314 HydrophobicContact CZ3-CE 3.25Å; T310-M314 HydrophobicContact CG2-CE 4.04Å; T310-M314 HydrophobicContact CG2-SD 4.39Å; T310-M314 WeakPolarHBondContact O-CG 3.46Å; T310-M314 PolarHBondContact O-N 2.74Å; A311-M314 PolarHBondContact O-N 2.86Å; A311-M314 VanDerWaalsContact O-N 3.13Å; A312-M314 PolarHBondContact O-N 2.96Å; M314-Q317 PolarHBondContact O-N 3.09Å; M314-Y318 VanDerWaalsContact O-CB 3.25Å; M314-Y318 WeakPolarHBondContact O-CB 3.38Å; M314-Y318 PolarHBondContact O-N 3.08Å; M314-L331 HydrophobicContact CB-CD1 3.95Å; M314-F334 HydrophobicContact SD-CE1 3.97Å; M314-F334 HydrophobicContact SD-CZ 3.57Å; M314-F334 VanDerWaalsContact SD-CZ 3.57Å
315	V	87	Confident	83.4	Confident	31 Å²	31	68.6 Å²	68.6	19%	0.188	35%	0.354	C	S	.	.	H	α-helix	trans	-61.9	-47.5	177.9	172.3	0	0	0	0	110.7	A311 A312 Q317 Y318 A319 A326 I328 L331	A311-V315 VanDerWaalsContact O-CG2 3.29Å; A311-V315 WeakPolarHBondContact O-CG2 3.36Å; A311-V315 PolarHBondContact O-N 2.97Å; A312-V315 PolarHBondContact O-N 3.34Å; V315-Q317 PolarHBondContact O-N 3.03Å; V315-Y318 PolarHBondContact O-N 3.36Å; V315-A319 WeakPolarHBondContact O-CB 3.38Å; V315-A319 PolarHBondContact O-N 3.01Å; V315-A326 HydrophobicContact CG1-CB 4.27Å; V315-I328 HydrophobicContact CG2-CD1 4.27Å; V315-I328 HydrophobicContact CG2-CG1 3.45Å; V315-I328 VanDerWaalsContact CG2-CG1 3.45Å; V315-L331 HydrophobicContact CG2-CD1 4.16Å
316	E	87.8	Confident	82.4	Confident	79 Å²	79	67.1 Å²	67.1	37%	0.369	35%	0.349	S	S	.	.	H	α-helix	trans	-60.5	-46	177.2	-72	178	-148.3	0	0	111.8	A312 T313 Y318 R320 K471	A312-E316 WeakPolarHBondContact O-CG 3.06Å; A312-E316 PolarHBondContact O-N 3Å; T313-E316 PolarHBondContact O-N 3.28Å; E316-Y318 VanDerWaalsContact C-N 3.33Å; E316-Y318 PolarHBondContact O-N 3.29Å; E316-R320 WeakPolarHBondContact O-CB 3.4Å; E316-R320 WeakPolarHBondContact O-CG 3.43Å; E316-R320 PolarHBondContact O-N 2.88Å; E316-K471 IonicContact OE1-NZ 2.91Å; E316-K471 PolarHBondContact OE1-NZ 2.92Å; E316-K471 WeakPolarHBondContact OE2-CD 3.35Å; E316-K471 WeakPolarHBondContact OE2-CE 3.23Å; E316-K471 IonicContact OE2-NZ 3.16Å; E316-K471 PolarHBondContact OE2-NZ 3.5Å
317	Q	90.1	Very high	81.2	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-63.4	-37.6	177.5	-74.1	174.5	-25.3	0	0	112.4	T282 E286 L289 T313 M314 V315 Y321 K471	T282-Q317 PolarHBondContact O-NE2 2.84Å; T282-Q317 VanDerWaalsContact O-NE2 3.1Å; E286-Q317 HydrophobicContact CG-CB 4.43Å; E286-Q317 HydrophobicContact CG-CG 4.16Å; E286-Q317 VanDerWaalsContact CG-NE2 3.29Å; E286-Q317 PolarHBondContact OE1-NE2 3.14Å; L289-Q317 HydrophobicContact CD1-CB 3.92Å; T313-Q317 HydrophobicContact CG2-CG 4.41Å; T313-Q317 WeakPolarHBondContact O-CB 3.02Å; T313-Q317 WeakPolarHBondContact O-CG 3.42Å; T313-Q317 PolarHBondContact O-N 3.28Å; M314-Q317 PolarHBondContact O-N 3.09Å; V315-Q317 PolarHBondContact O-N 3.03Å; Q317-Y321 WeakPolarHBondContact O-CB 3.34Å; Q317-Y321 PolarHBondContact O-N 3.47Å; Q317-K471 HydrophobicContact CG-CB 4.28Å; Q317-K471 PolarHBondContact NE2-O 3.36Å
318	Y	87.1	Confident	80.1	Confident	21 Å²	21	69.7 Å²	69.7	8%	0.082	36%	0.36	C	S	.	.	H	α-helix	trans	-74.7	-45.2	-178.7	-170.2	-99	0	0	0	111.8	L289 D293 M314 V315 E316 R320 Y321 R322 A326	L289-Y318 HydrophobicContact CD2-CD2 4.15Å; D293-Y318 PolarHBondContact OD1-OH 2.7Å; M314-Y318 VanDerWaalsContact O-CB 3.25Å; M314-Y318 WeakPolarHBondContact O-CB 3.38Å; M314-Y318 PolarHBondContact O-N 3.08Å; V315-Y318 PolarHBondContact O-N 3.36Å; E316-Y318 VanDerWaalsContact C-N 3.33Å; E316-Y318 PolarHBondContact O-N 3.29Å; Y318-R320 VanDerWaalsContact C-N 3.29Å; Y318-R320 PolarHBondContact O-N 3.23Å; Y318-Y321 PolarHBondContact O-N 3.28Å; Y318-Y321 VanDerWaalsContact O-N 3.12Å; Y318-R322 HydrophobicContact CD1-CG 4.39Å; Y318-R322 HydrophobicContact CE1-CG 3.85Å; Y318-R322 HydrophobicContact CE2-CG 4.15Å; Y318-R322 PolarHBondContact O-N 3.04Å; Y318-R322 PolarHBondContact OH-NE 3.33Å; Y318-A326 HydrophobicContact CD1-CB 3.6Å; Y318-A326 HydrophobicContact CE1-CB 4.41Å
319	A	85.7	Confident	79	Confident	26 Å²	26	72.5 Å²	72.5	22%	0.215	36%	0.364	C	S	.	.	H	α-helix	trans	-57.7	-43.4	177.2	0	0	0	0	0	111.5	V315 Y321 N323 E324 A326	V315-A319 WeakPolarHBondContact O-CB 3.38Å; V315-A319 PolarHBondContact O-N 3.01Å; A319-Y321 VanDerWaalsContact C-N 3.34Å; A319-Y321 PolarHBondContact O-N 3.28Å; A319-N323 WeakPolarHBondContact O-CA 3.43Å; A319-N323 PolarHBondContact O-N 3.47Å; A319-E324 WeakPolarHBondContact CA-O 3.28Å; A319-E324 WeakPolarHBondContact CB-O 3.41Å; A319-E324 PolarHBondContact O-N 3.34Å; A319-A326 HydrophobicContact CB-CB 3.78Å
320	R	83.2	Confident	77.5	Confident	164 Å²	164	72.8 Å²	72.8	62%	0.619	37%	0.365	S	S	*	.	H	α-helix	trans	-69.4	-31.2	178	-67.2	-70	-173.4	-165.8	-1.3	113.2	E316 Y318 N323	E316-R320 WeakPolarHBondContact O-CB 3.4Å; E316-R320 WeakPolarHBondContact O-CG 3.43Å; E316-R320 PolarHBondContact O-N 2.88Å; Y318-R320 VanDerWaalsContact C-N 3.29Å; Y318-R320 PolarHBondContact O-N 3.23Å; R320-N323 PolarHBondContact O-OD1 2.88Å
321	Y	80.6	Confident	76.1	Confident	91 Å²	91	73.8 Å²	73.8	36%	0.357	37%	0.37	S	S	.	.	H	α-helix	trans	-74.6	-43.5	176.8	174.8	-111	0	0	0	112.4	R253 Q317 Y318 A319	R253-Y321 HydrophobicContact CG-CD2 4.26Å; R253-Y321 HydrophobicContact CG-CE1 4.16Å; R253-Y321 HydrophobicContact CG-CE2 3.69Å; Q317-Y321 WeakPolarHBondContact O-CB 3.34Å; Q317-Y321 PolarHBondContact O-N 3.47Å; Y318-Y321 PolarHBondContact O-N 3.28Å; Y318-Y321 VanDerWaalsContact O-N 3.12Å; A319-Y321 VanDerWaalsContact C-N 3.34Å; A319-Y321 PolarHBondContact O-N 3.28Å
322	R	78.5	Confident	74.9	Confident	102 Å²	102	80.3 Å²	80.3	39%	0.385	39%	0.391	S	S	.	.	H	α-helix	trans	-81.5	-15.7	179.9	-76.1	-74.2	-176.5	152.6	-8.1	113.7	D293 Y318 E324	D293-R322 IonicContact OD1-CZ 2.64Å; D293-R322 IonicContact OD1-NE 2.63Å; D293-R322 IonicContact OD1-NH2 2.68Å; D293-R322 PolarHBondContact OD1-NH2 3.04Å; D293-R322 IonicContact OD2-CZ 3.5Å; D293-R322 IonicContact OD2-NE 3.06Å; D293-R322 IonicContact OD2-NH2 3.58Å; D293-R322 PolarHBondContact OD2-NH2 3.27Å; Y318-R322 HydrophobicContact CD1-CG 4.39Å; Y318-R322 HydrophobicContact CE1-CG 3.85Å; Y318-R322 HydrophobicContact CE2-CG 4.15Å; Y318-R322 PolarHBondContact O-N 3.04Å; Y318-R322 PolarHBondContact OH-NE 3.33Å; R322-E324 HydrophobicContact CB-CB 4.15Å; R322-E324 HydrophobicContact CB-CG 4.48Å; R322-E324 PolarHBondContact O-N 2.9Å
323	N	74.3	Confident	73.6	Confident	149 Å²	149	79.2 Å²	79.2	80%	0.797	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	31.4	-167	-66.7	-40.6	0	0	0	112.7	A319 R320	A319-N323 WeakPolarHBondContact O-CA 3.43Å; A319-N323 PolarHBondContact O-N 3.47Å; R320-N323 PolarHBondContact O-OD1 2.88Å
324	E	70.6	Confident	72.2	Confident	124 Å²	124	80.3 Å²	80.3	58%	0.579	38%	0.382	S	S	*	.	S	Bend	trans	-129.4	153.9	-178.6	-71.3	173.1	178.2	0	0	109.2	A319 R322 A326	A319-E324 WeakPolarHBondContact CA-O 3.28Å; A319-E324 WeakPolarHBondContact CB-O 3.41Å; A319-E324 PolarHBondContact O-N 3.34Å; R322-E324 HydrophobicContact CB-CB 4.15Å; R322-E324 HydrophobicContact CB-CG 4.48Å; R322-E324 PolarHBondContact O-N 2.9Å; E324-A326 PolarHBondContact O-N 3.14Å
325	E	64.5	Low	70.7	Confident	198 Å²	198	83.8 Å²	83.8	93%	0.925	40%	0.395	S	S	*	.			trans	-64.8	105.1	169.4	-70.4	-169.1	167.4	0	0	109	S327	E325-S327 PolarHBondContact O-N 3.14Å
326	A	60.9	Low	69.1	Low	21 Å²	21	90.4 Å²	90.4	17%	0.174	42%	0.417	C	S	.	.			trans	-73	110	179.3	0	0	0	0	0	110.4	V315 Y318 A319 E324	V315-A326 HydrophobicContact CG1-CB 4.27Å; Y318-A326 HydrophobicContact CD1-CB 3.6Å; Y318-A326 HydrophobicContact CE1-CB 4.41Å; A319-A326 HydrophobicContact CB-CB 3.78Å; E324-A326 PolarHBondContact O-N 3.14Å
327	S	59.9	Low	67.4	Low	52 Å²	52	88.1 Å²	88.1	36%	0.364	41%	0.408	S	S	.	.			trans	-71	140	160.5	-176.5	0	0	0	0	109.8	E325 D329 H330	E325-S327 PolarHBondContact O-N 3.14Å; S327-D329 PolarHBondContact O-N 2.92Å; S327-D329 VanDerWaalsContact O-N 3.16Å; S327-D329 VanDerWaalsContact OG-CG 3.27Å; S327-D329 PolarHBondContact OG-N 3.3Å; S327-D329 PolarHBondContact OG-OD2 3.44Å; S327-H330 PolarHBondContact O-N 2.9Å
328	I	60.2	Low	65.6	Low	100 Å²	100	94.3 Å²	94.3	51%	0.513	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-58.2	-23.7	172.8	-70.8	165.7	0	0	0	111.3	V315 H330 L331	V315-I328 HydrophobicContact CG2-CD1 4.27Å; V315-I328 HydrophobicContact CG2-CG1 3.45Å; V315-I328 VanDerWaalsContact CG2-CG1 3.45Å; I328-H330 PolarHBondContact O-N 3.23Å; I328-H330 VanDerWaalsContact O-N 3.11Å; I328-L331 WeakPolarHBondContact O-CB 3.37Å; I328-L331 PolarHBondContact O-N 3.37Å
329	D	62.5	Low	63.9	Low	136 Å²	136	100.1 Å²	100.1	73%	0.727	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-62	-23.8	-173.9	-58.1	-39.1	0	0	0	113.8	S327 L331	S327-D329 PolarHBondContact O-N 2.92Å; S327-D329 VanDerWaalsContact O-N 3.16Å; S327-D329 VanDerWaalsContact OG-CG 3.27Å; S327-D329 PolarHBondContact OG-N 3.3Å; S327-D329 PolarHBondContact OG-OD2 3.44Å; D329-L331 PolarHBondContact O-N 2.89Å
330	H	54.9	Low	62.4	Low	125 Å²	125	107.4 Å²	107.4	58%	0.579	50%	0.499	S	S	*	.	G	3₁₀ helix	trans	-75	-16.4	177.5	-65.8	-171.7	0	0	0	112.3	S327 I328 R332	S327-H330 PolarHBondContact O-N 2.9Å; I328-H330 PolarHBondContact O-N 3.23Å; I328-H330 VanDerWaalsContact O-N 3.11Å; H330-R332 PolarHBondContact O-N 2.99Å
331	L	59.7	Low	62	Low	25 Å²	25	102.8 Å²	102.8	13%	0.131	49%	0.489	C	S	.	.			trans	-87.4	103.2	-179.2	-58.6	-178.3	0	0	0	110.5	L289 M314 V315 I328 D329 V333	L289-L331 HydrophobicContact CD2-CD1 4.41Å; L289-L331 HydrophobicContact CD2-CD2 3.16Å; L289-L331 HydrophobicContact CD2-CG 4.42Å; M314-L331 HydrophobicContact CB-CD1 3.95Å; V315-L331 HydrophobicContact CG2-CD1 4.16Å; I328-L331 WeakPolarHBondContact O-CB 3.37Å; I328-L331 PolarHBondContact O-N 3.37Å; D329-L331 PolarHBondContact O-N 2.89Å; L331-V333 PolarHBondContact O-N 2.82Å; L331-V333 VanDerWaalsContact O-N 3.13Å
332	R	59.9	Low	61.9	Low	153 Å²	153	99 Å²	99	58%	0.577	47%	0.474	S	S	*	.			trans	-71.3	107.9	167.2	-60.9	-176.1	-177.3	-174.3	2.1	108.1	H330	H330-R332 PolarHBondContact O-N 2.99Å
333	V	60.1	Low	62	Low	26 Å²	26	94.6 Å²	94.6	16%	0.158	46%	0.458	C	S	.	.			trans	98.8	121.2	151.3	-159.7	0	0	0	0	120.4	T298 L299 L331 Y335 I355	T298-V333 WeakPolarHBondContact O-CB 3.42Å; T298-V333 WeakPolarHBondContact O-CG2 3.43Å; L299-V333 HydrophobicContact CB-CG1 4.23Å; L299-V333 HydrophobicContact CD1-CG1 3.42Å; L299-V333 VanDerWaalsContact CD1-CG1 3.42Å; L299-V333 HydrophobicContact CG-CG1 4.42Å; L331-V333 PolarHBondContact O-N 2.82Å; L331-V333 VanDerWaalsContact O-N 3.13Å; V333-Y335 HydrophobicContact CG1-CD2 3.3Å; V333-Y335 HydrophobicContact CG1-CE2 3.45Å; V333-Y335 VanDerWaalsContact CG1-CE2 3.45Å; V333-I355 HydrophobicContact CG2-CD1 3.78Å
334	F	59.7	Low	62.4	Low	53 Å²	53	94 Å²	94	23%	0.232	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	127.5	152.7	-67.4	-84.4	0	0	0	109.5	W300 T310 A311 M314	W300-F334 HydrophobicContact CB-CD1 4.46Å; T310-F334 HydrophobicContact CG2-CE1 3.93Å; A311-F334 HydrophobicContact CB-CD2 4.31Å; A311-F334 HydrophobicContact CB-CE1 3.88Å; A311-F334 HydrophobicContact CB-CE2 3.61Å; A311-F334 HydrophobicContact CB-CZ 3.38Å; M314-F334 HydrophobicContact SD-CE1 3.97Å; M314-F334 HydrophobicContact SD-CZ 3.57Å; M314-F334 VanDerWaalsContact SD-CZ 3.57Å
335	Y	57.1	Low	63	Low	83 Å²	83	89.8 Å²	89.8	33%	0.325	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	129.8	164.4	-70.9	-79	0	0	0	111.3	L299 W300 V333 H349 Q353	L299-Y335 HydrophobicContact CD1-CD2 3.46Å; L299-Y335 VanDerWaalsContact CD1-CD2 3.46Å; L299-Y335 HydrophobicContact CD1-CE2 4.37Å; L299-Y335 HydrophobicContact CD1-CG 4.22Å; W300-Y335 PolarHBondContact O-N 3.14Å; V333-Y335 HydrophobicContact CG1-CD2 3.3Å; V333-Y335 HydrophobicContact CG1-CE2 3.45Å; V333-Y335 VanDerWaalsContact CG1-CE2 3.45Å; Y335-H349 AromaticContact CD1-CE1 3.78Å; Y335-H349 AromaticContact CD1-NE2 3.99Å; Y335-H349 AromaticContact CD2-CE1 3.71Å; Y335-H349 AromaticContact CD2-ND1 3.81Å; Y335-H349 AromaticContact CE1-CE1 3.43Å; Y335-H349 VanDerWaalsContact CE1-CE1 3.43Å; Y335-H349 WeakPolarHBondContact CE1-CE1 3.15Å; Y335-H349 AromaticContact CE2-CE1 3.31Å; Y335-H349 WeakPolarHBondContact CE2-CE1 3.37Å; Y335-H349 AromaticContact CE2-ND1 3.34Å; Y335-H349 VanDerWaalsContact CE2-ND1 3.34Å; Y335-H349 WeakPolarHBondContact CE2-ND1 3.26Å; Y335-H349 AromaticContact CG-CE1 3.93Å; Y335-H349 AromaticContact CZ-CE1 3.19Å; Y335-H349 AromaticContact CZ-ND1 3.64Å; Y335-Q353 PolarHBondContact OH-NE2 2.94Å
336	R	52.9	Low	64.1	Low	171 Å²	171	80.3 Å²	80.3	65%	0.645	39%	0.385	S	S	*	.			trans	-90.2	115.7	172	-174.1	173.8	-179.2	-171.5	1.5	108.4	H338	R336-H338 PolarHBondContact O-N 2.94Å
337	V	53.7	Low	65.4	Low	30 Å²	30	82 Å²	82	18%	0.182	39%	0.389	C	S	.	.			trans	-73.8	122.8	175.6	-172	0	0	0	0	109.4	L303 F342 M345	L303-V337 HydrophobicContact CD2-CB 4.26Å; L303-V337 HydrophobicContact CD2-CG2 4.49Å; V337-F342 HydrophobicContact CB-CD2 4.24Å; V337-F342 HydrophobicContact CG1-CD2 3.98Å; V337-F342 HydrophobicContact CG2-CD2 3.81Å; V337-F342 HydrophobicContact CG2-CE2 3.81Å; V337-M345 HydrophobicContact CG2-CE 3.3Å
338	H	51.6	Low	66.6	Low	131 Å²	131	87 Å²	87	61%	0.606	40%	0.402	S	S	*	.			trans	-108.7	117.3	162.6	-66.3	84.7	0	0	0	108	R336	R336-H338 PolarHBondContact O-N 2.94Å
339	N	50.7	Low	67.7	Low	143 Å²	143	83.1 Å²	83.1	77%	0.765	38%	0.381	S	S	*	.	S	Bend	trans	51.6	123.9	156.9	-67	-16.1	0	0	0	120.7	T341	N339-T341 PolarHBondContact O-N 2.79Å
340	Q	55	Low	68.8	Low	179 Å²	179	77.1 Å²	77.1	84%	0.836	35%	0.35	S	S	*	.	S	Bend	trans	73.6	-9	153.3	-60.6	-169.2	5.8	0	0	121.2
341	T	73.7	Confident	70.3	Confident	66 Å²	66	75 Å²	75	41%	0.405	35%	0.35	S	S	.	.			trans	-140.9	59.5	171.6	57	0	0	0	0	113.8	N339 V343 K344 M345	N339-T341 PolarHBondContact O-N 2.79Å; T341-V343 VanDerWaalsContact C-N 3.33Å; T341-V343 PolarHBondContact O-N 2.95Å; T341-K344 HydrophobicContact CG2-CD 3.95Å; T341-K344 HydrophobicContact CG2-CG 4.49Å; T341-K344 PolarHBondContact O-N 2.88Å; T341-M345 PolarHBondContact O-N 2.87Å
342	F	79	Confident	71.5	Confident	12 Å²	12	76.9 Å²	76.9	5%	0.053	37%	0.369	C	S	.	.	H	α-helix	trans	-55.5	-46.2	-177.1	-176	-90.6	0	0	0	112.2	C301 L303 V337 M345 I346 I360 I366 E368 L378	C301-F342 HydrophobicContact CB-CE2 3.98Å; C301-F342 HydrophobicContact CB-CZ 3.98Å; L303-F342 HydrophobicContact CD1-CE2 4.26Å; L303-F342 HydrophobicContact CD2-CE2 4.18Å; V337-F342 HydrophobicContact CB-CD2 4.24Å; V337-F342 HydrophobicContact CG1-CD2 3.98Å; V337-F342 HydrophobicContact CG2-CD2 3.81Å; V337-F342 HydrophobicContact CG2-CE2 3.81Å; F342-M345 PolarHBondContact O-N 2.86Å; F342-I346 HydrophobicContact CD1-CD1 3.76Å; F342-I346 HydrophobicContact CE1-CD1 3.18Å; F342-I346 HydrophobicContact CE1-CG1 4.28Å; F342-I346 HydrophobicContact CZ-CD1 3.69Å; F342-I346 PolarHBondContact O-N 2.87Å; F342-I360 HydrophobicContact CE1-CD1 3.69Å; F342-I360 HydrophobicContact CE1-CG1 4.39Å; F342-I360 HydrophobicContact CZ-CD1 3.75Å; F342-I360 HydrophobicContact CZ-CG1 3.94Å; F342-I360 HydrophobicContact CZ-CG2 4.03Å; F342-I366 HydrophobicContact CB-CG2 4.13Å; F342-I366 HydrophobicContact CD1-CD1 3.68Å; F342-I366 HydrophobicContact CD1-CG1 4.23Å; F342-I366 HydrophobicContact CD1-CG2 4.23Å; F342-I366 HydrophobicContact CD2-CD1 4.26Å; F342-I366 HydrophobicContact CD2-CG1 4.13Å; F342-I366 HydrophobicContact CE1-CD1 3.36Å; F342-I366 HydrophobicContact CE1-CG1 4.24Å; F342-I366 HydrophobicContact CE2-CD1 4.02Å; F342-I366 HydrophobicContact CE2-CG1 4.17Å; F342-I366 HydrophobicContact CG-CD1 4.14Å; F342-I366 HydrophobicContact CG-CG1 4.19Å; F342-I366 HydrophobicContact CG-CG2 4.13Å; F342-I366 HydrophobicContact CZ-CD1 3.58Å; F342-I366 HydrophobicContact CZ-CG1 4.24Å; F342-E368 PolarHBondContact N-OE1 3.08Å; F342-L378 HydrophobicContact CE1-CD2 4.01Å
343	V	82.1	Confident	72.6	Confident	9 Å²	9	73.4 Å²	73.4	6%	0.055	36%	0.359	C	S	.	.	H	α-helix	trans	-63.2	-48.7	178.9	174.8	0	0	0	0	112	T341 M345 I346 E347 E368 E377 L381	T341-V343 VanDerWaalsContact C-N 3.33Å; T341-V343 PolarHBondContact O-N 2.95Å; V343-M345 VanDerWaalsContact C-N 3.26Å; V343-M345 PolarHBondContact O-N 2.81Å; V343-I346 PolarHBondContact O-N 3.19Å; V343-I346 VanDerWaalsContact O-N 3.14Å; V343-E347 HydrophobicContact CG1-CG 4.38Å; V343-E347 WeakPolarHBondContact O-CG 3.16Å; V343-E347 PolarHBondContact O-N 3.35Å; V343-E368 WeakPolarHBondContact CG2-OE1 3.32Å; V343-E368 PolarHBondContact N-OE1 3.47Å; V343-E377 HydrophobicContact CG2-CG 3.53Å; V343-L381 HydrophobicContact CG1-CD1 4.12Å; V343-L381 HydrophobicContact CG1-CD2 4.34Å
344	K	82.3	Confident	73.8	Confident	138 Å²	138	77.8 Å²	77.8	60%	0.6	38%	0.382	S	S	*	.	H	α-helix	trans	-63.1	-34.3	-178.7	-60.3	-173.7	-177.9	176.3	0	112.4	T341 E347 Y348	T341-K344 HydrophobicContact CG2-CD 3.95Å; T341-K344 HydrophobicContact CG2-CG 4.49Å; T341-K344 PolarHBondContact O-N 2.88Å; K344-E347 PolarHBondContact O-N 3.4Å; K344-Y348 WeakPolarHBondContact O-CB 3.3Å; K344-Y348 PolarHBondContact O-N 3Å
345	M	83.5	Confident	75.3	Confident	34 Å²	34	75.7 Å²	75.7	17%	0.167	37%	0.373	C	S	.	.	H	α-helix	trans	-61.6	-50.2	174.5	-178	-75.7	-67.5	0	0	110.3	L299 V337 T341 F342 V343 E347 Y348 H349	L299-M345 HydrophobicContact CD2-SD 4.41Å; V337-M345 HydrophobicContact CG2-CE 3.3Å; T341-M345 PolarHBondContact O-N 2.87Å; F342-M345 PolarHBondContact O-N 2.86Å; V343-M345 VanDerWaalsContact C-N 3.26Å; V343-M345 PolarHBondContact O-N 2.81Å; M345-E347 VanDerWaalsContact C-N 3.29Å; M345-E347 PolarHBondContact O-N 3.3Å; M345-Y348 WeakPolarHBondContact O-CB 3.47Å; M345-Y348 PolarHBondContact O-N 2.83Å; M345-H349 PolarHBondContact O-CD2 3.18Å; M345-H349 VanDerWaalsContact O-CD2 3.3Å; M345-H349 PolarHBondContact O-N 2.81Å; M345-H349 PolarHBondContact SD-CD2 3.49Å
346	I	87.3	Confident	76.9	Confident	0 Å²	0	73.9 Å²	73.9	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-59.6	-43.5	176.6	-64.6	170.6	0	0	0	110.4	L299 F342 V343 Y348 H349 A350 V358 L381 L387	L299-I346 HydrophobicContact CD2-CB 4.5Å; L299-I346 HydrophobicContact CD2-CG1 4.16Å; L299-I346 HydrophobicContact CD2-CG2 4.35Å; F342-I346 HydrophobicContact CD1-CD1 3.76Å; F342-I346 HydrophobicContact CE1-CD1 3.18Å; F342-I346 HydrophobicContact CE1-CG1 4.28Å; F342-I346 HydrophobicContact CZ-CD1 3.69Å; F342-I346 PolarHBondContact O-N 2.87Å; V343-I346 PolarHBondContact O-N 3.19Å; V343-I346 VanDerWaalsContact O-N 3.14Å; I346-Y348 VanDerWaalsContact C-N 3.32Å; I346-Y348 PolarHBondContact O-N 3.1Å; I346-H349 PolarHBondContact O-N 2.72Å; I346-A350 WeakPolarHBondContact O-CB 3.48Å; I346-A350 PolarHBondContact O-N 3.38Å; I346-V358 HydrophobicContact CD1-CG1 3.98Å; I346-V358 HydrophobicContact CG1-CG1 4.34Å; I346-V358 HydrophobicContact CG2-CG1 4.45Å; I346-V358 HydrophobicContact CG2-CG2 3.84Å; I346-L381 HydrophobicContact CB-CD2 3.9Å; I346-L381 HydrophobicContact CD1-CD2 3.8Å; I346-L381 HydrophobicContact CG1-CD2 4.46Å; I346-L381 HydrophobicContact CG2-CD1 4.48Å; I346-L381 HydrophobicContact CG2-CD2 3.74Å; I346-L381 HydrophobicContact CG2-CG 4.37Å; I346-L387 HydrophobicContact CG2-CD1 3.79Å
347	E	87.2	Confident	78.9	Confident	55 Å²	55	65.8 Å²	65.8	26%	0.257	34%	0.337	S	S	.	.	H	α-helix	trans	-60	-41	177.9	-70.2	-179.4	155.2	0	0	112.8	V343 K344 M345 S351 L381 K385	V343-E347 HydrophobicContact CG1-CG 4.38Å; V343-E347 WeakPolarHBondContact O-CG 3.16Å; V343-E347 PolarHBondContact O-N 3.35Å; K344-E347 PolarHBondContact O-N 3.4Å; M345-E347 VanDerWaalsContact C-N 3.29Å; M345-E347 PolarHBondContact O-N 3.3Å; E347-S351 WeakPolarHBondContact O-CB 3.42Å; E347-S351 PolarHBondContact O-N 3.26Å; E347-S351 VanDerWaalsContact O-N 3.1Å; E347-S351 PolarHBondContact O-OG 2.82Å; E347-L381 HydrophobicContact CG-CD1 3.47Å; E347-L381 VanDerWaalsContact CG-CD1 3.47Å; E347-K385 HydrophobicContact CG-CG 4.31Å
348	Y	85.9	Confident	80.8	Confident	158 Å²	158	64.3 Å²	64.3	62%	0.62	33%	0.328	S	S	*	.	H	α-helix	trans	-62.6	-52.3	176.1	175	-97.5	0	0	0	111.1	K344 M345 I346 A350 S351 A352	K344-Y348 WeakPolarHBondContact O-CB 3.3Å; K344-Y348 PolarHBondContact O-N 3Å; M345-Y348 WeakPolarHBondContact O-CB 3.47Å; M345-Y348 PolarHBondContact O-N 2.83Å; I346-Y348 VanDerWaalsContact C-N 3.32Å; I346-Y348 PolarHBondContact O-N 3.1Å; Y348-A350 PolarHBondContact O-N 2.9Å; Y348-S351 PolarHBondContact O-N 2.79Å; Y348-A352 HydrophobicContact CE1-CB 4.47Å; Y348-A352 VanDerWaalsContact O-CB 3.3Å; Y348-A352 WeakPolarHBondContact O-CB 3.48Å; Y348-A352 PolarHBondContact O-N 3.37Å
349	H	82.8	Confident	82.8	Confident	18 Å²	18	58.1 Å²	58.1	8%	0.083	30%	0.299	C	S	.	.	H	α-helix	trans	-65.3	-40.4	-180	-79.1	-78.2	0	0	0	112.4	L299 Y335 M345 I346 S351 A352 Q353 I355	L299-H349 HydrophobicContact CD2-CB 4.04Å; Y335-H349 AromaticContact CD1-CE1 3.78Å; Y335-H349 AromaticContact CD1-NE2 3.99Å; Y335-H349 AromaticContact CD2-CE1 3.71Å; Y335-H349 AromaticContact CD2-ND1 3.81Å; Y335-H349 AromaticContact CE1-CE1 3.43Å; Y335-H349 VanDerWaalsContact CE1-CE1 3.43Å; Y335-H349 WeakPolarHBondContact CE1-CE1 3.15Å; Y335-H349 AromaticContact CE2-CE1 3.31Å; Y335-H349 WeakPolarHBondContact CE2-CE1 3.37Å; Y335-H349 AromaticContact CE2-ND1 3.34Å; Y335-H349 VanDerWaalsContact CE2-ND1 3.34Å; Y335-H349 WeakPolarHBondContact CE2-ND1 3.26Å; Y335-H349 AromaticContact CG-CE1 3.93Å; Y335-H349 AromaticContact CZ-CE1 3.19Å; Y335-H349 AromaticContact CZ-ND1 3.64Å; M345-H349 PolarHBondContact O-CD2 3.18Å; M345-H349 VanDerWaalsContact O-CD2 3.3Å; M345-H349 PolarHBondContact O-N 2.81Å; M345-H349 PolarHBondContact SD-CD2 3.49Å; I346-H349 PolarHBondContact O-N 2.72Å; H349-S351 PolarHBondContact O-N 3.34Å; H349-A352 PolarHBondContact O-N 2.75Å; H349-Q353 PolarHBondContact ND1-OE1 3.43Å; H349-Q353 WeakPolarHBondContact O-CB 3.38Å; H349-Q353 PolarHBondContact O-N 3.31Å; H349-I355 HydrophobicContact CB-CG1 4.37Å; H349-I355 WeakPolarHBondContact O-CG1 3.43Å
350	A	86.5	Confident	84.7	Confident	10 Å²	10	51.3 Å²	51.3	8%	0.083	26%	0.263	C	S	.	.	H	α-helix	trans	-55.5	-40.9	173.2	0	0	0	0	0	112.4	I346 Y348 D354 L387	I346-A350 WeakPolarHBondContact O-CB 3.48Å; I346-A350 PolarHBondContact O-N 3.38Å; Y348-A350 PolarHBondContact O-N 2.9Å; A350-D354 PolarHBondContact O-N 2.9Å; A350-L387 HydrophobicContact CB-CD1 3.88Å; A350-L387 HydrophobicContact CB-CD2 3.94Å; A350-L387 HydrophobicContact CB-CG 4.44Å
351	S	85.5	Confident	86.2	Confident	81 Å²	81	42.8 Å²	42.8	57%	0.566	22%	0.223	S	C	*	.	H	α-helix	trans	-81.9	-32.7	-178	-48.5	0	0	0	0	112.7	E347 Y348 H349	E347-S351 WeakPolarHBondContact O-CB 3.42Å; E347-S351 PolarHBondContact O-N 3.26Å; E347-S351 VanDerWaalsContact O-N 3.1Å; E347-S351 PolarHBondContact O-OG 2.82Å; Y348-S351 PolarHBondContact O-N 2.79Å; H349-S351 PolarHBondContact O-N 3.34Å
352	A	85.4	Confident	86.6	Confident	64 Å²	64	40.5 Å²	40.5	53%	0.529	21%	0.208	S	C	.	.	H	α-helix	trans	-86.8	-30.7	-175.5	0	0	0	0	0	114.1	Y348 H349	Y348-A352 HydrophobicContact CE1-CB 4.47Å; Y348-A352 VanDerWaalsContact O-CB 3.3Å; Y348-A352 WeakPolarHBondContact O-CB 3.48Å; Y348-A352 PolarHBondContact O-N 3.37Å; H349-A352 PolarHBondContact O-N 2.75Å
353	Q	81.8	Confident	86.8	Confident	80 Å²	80	39.9 Å²	39.9	37%	0.374	21%	0.206	S	C	.	.	S	Bend	trans	-121	11	-171.3	-63.2	177.5	-41.8	0	0	113.1	Y335 H349 I355	Y335-Q353 PolarHBondContact OH-NE2 2.94Å; H349-Q353 PolarHBondContact ND1-OE1 3.43Å; H349-Q353 WeakPolarHBondContact O-CB 3.38Å; H349-Q353 PolarHBondContact O-N 3.31Å; Q353-I355 HydrophobicContact CB-CD1 3.93Å; Q353-I355 HydrophobicContact CB-CG1 4.1Å; Q353-I355 PolarHBondContact O-N 3.09Å
354	D	86.8	Confident	86.6	Confident	119 Å²	119	41.4 Å²	41.4	64%	0.636	21%	0.213	S	C	*	.			trans	50.4	45	-178.6	-166.3	33.9	0	0	0	112	S297 A350	S297-D354 WeakPolarHBondContact CB-O 3.46Å; S297-D354 PolarHBondContact OG-O 2.98Å; A350-D354 PolarHBondContact O-N 2.9Å
355	I	89.5	Confident	86.3	Confident	8 Å²	8	38.9 Å²	38.9	4%	0.041	21%	0.206	C	C	.	.			trans	-67.1	136.5	-179.9	-57.5	-60.8	0	0	0	109.2	S297 L299 V333 H349 Q353 H357 V358 L387	S297-I355 WeakPolarHBondContact OG-CA 3.48Å; L299-I355 HydrophobicContact CB-CD1 4.29Å; L299-I355 HydrophobicContact CB-CG1 4.26Å; L299-I355 HydrophobicContact CB-CG2 3.65Å; V333-I355 HydrophobicContact CG2-CD1 3.78Å; H349-I355 HydrophobicContact CB-CG1 4.37Å; H349-I355 WeakPolarHBondContact O-CG1 3.43Å; Q353-I355 HydrophobicContact CB-CD1 3.93Å; Q353-I355 HydrophobicContact CB-CG1 4.1Å; Q353-I355 PolarHBondContact O-N 3.09Å; I355-H357 WeakPolarHBondContact CG2-O 3.24Å; I355-V358 HydrophobicContact CG2-CG2 4.08Å; I355-L387 WeakPolarHBondContact O-CD2 3.25Å
356	Q	92.1	Very high	85.9	Confident	46 Å²	46	38.3 Å²	38.3	22%	0.215	20%	0.203	C	C	.	.			trans	-113.6	-30.2	178.3	-69.7	176.5	-18.1	0	0	112.6	L266 V296 S297 H388	L266-Q356 HydrophobicContact CD2-CB 4.05Å; L266-Q356 WeakPolarHBondContact CD2-O 3.46Å; V296-Q356 HydrophobicContact CG1-CB 3.92Å; S297-Q356 PolarHBondContact O-N 2.95Å; S297-Q356 PolarHBondContact OG-N 2.55Å; S297-Q356 VanDerWaalsContact OG-N 3.09Å; Q356-H388 PolarHBondContact O-N 3.46Å
357	H	94.6	Very high	84.8	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	136.5	-179.5	-178.5	-144.3	0	0	0	110.4	F264 Y287 V296 S297 T298 L299 I355 V359 H388 T390	F264-H357 HydrophobicContact CE2-CB 4.31Å; F264-H357 AromaticContact CE2-CD2 3.66Å; F264-H357 AromaticContact CE2-CG 3.93Å; F264-H357 HydrophobicContact CZ-CB 3.68Å; F264-H357 AromaticContact CZ-CD2 3.84Å; F264-H357 AromaticContact CZ-CG 3.81Å; Y287-H357 AromaticContact CD1-CE1 3.99Å; Y287-H357 AromaticContact CE1-CE1 3.73Å; Y287-H357 AromaticContact CE1-NE2 3.74Å; V296-H357 HydrophobicContact CG1-CB 3.85Å; S297-H357 PolarHBondContact O-N 3.26Å; T298-H357 CarbonylContact C-O 3.51Å; T298-H357 VanDerWaalsContact CA-O 3.26Å; T298-H357 WeakPolarHBondContact CA-O 3.39Å; T298-H357 HydrophobicContact CG2-CB 4.16Å; T298-H357 WeakPolarHBondContact CG2-ND1 3.45Å; T298-H357 WeakPolarHBondContact OG1-CB 3.48Å; T298-H357 PolarHBondContact OG1-ND1 2.84Å; T298-H357 VanDerWaalsContact OG1-ND1 3.09Å; L299-H357 PolarHBondContact N-O 3.12Å; I355-H357 WeakPolarHBondContact CG2-O 3.24Å; H357-V359 WeakPolarHBondContact CE1-CG2 3.48Å; H357-H388 CarbonylContact C-O 3.45Å; H357-H388 WeakPolarHBondContact CA-O 3.1Å; H357-H388 PolarHBondContact CD2-O 2.86Å; H357-T390 WeakPolarHBondContact NE2-CB 3.27Å; H357-T390 PolarHBondContact NE2-OG1 3.32Å
358	V	93.5	Very high	83.4	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	120.7	174	-176.7	0	0	0	0	109.1	L299 I346 I355 I360 L387 H388 V389 T390	L299-V358 HydrophobicContact CB-CG2 4.34Å; L299-V358 HydrophobicContact CD2-CG1 4.28Å; L299-V358 HydrophobicContact CD2-CG2 4.32Å; L299-V358 HydrophobicContact CG-CG1 4.38Å; L299-V358 CarbonylContact O-C 3.57Å; L299-V358 WeakPolarHBondContact O-CA 3.42Å; I346-V358 HydrophobicContact CD1-CG1 3.98Å; I346-V358 HydrophobicContact CG1-CG1 4.34Å; I346-V358 HydrophobicContact CG2-CG1 4.45Å; I346-V358 HydrophobicContact CG2-CG2 3.84Å; I355-V358 HydrophobicContact CG2-CG2 4.08Å; V358-I360 HydrophobicContact CG1-CG1 4.1Å; V358-L387 HydrophobicContact CG2-CD1 4.02Å; V358-H388 PolarHBondContact N-O 2.9Å; V358-V389 HydrophobicContact CB-CG2 4.34Å; V358-V389 CarbonylContact O-C 3.55Å; V358-V389 WeakPolarHBondContact O-CA 3.29Å; V358-T390 PolarHBondContact O-N 3.22Å
359	V	93.2	Very high	81.5	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	129.7	173	174.7	0	0	0	0	109.9	L284 A288 T298 L299 W300 C301 H357 T390	L284-V359 HydrophobicContact CD1-CG1 4.28Å; L284-V359 HydrophobicContact CD1-CG2 4.37Å; L284-V359 HydrophobicContact CD2-CG1 3.39Å; L284-V359 HydrophobicContact CG-CG1 3.68Å; L284-V359 HydrophobicContact CG-CG2 4.49Å; A288-V359 HydrophobicContact CB-CG2 4.22Å; T298-V359 HydrophobicContact CG2-CG2 3.91Å; L299-V359 PolarHBondContact O-N 3.24Å; W300-V359 HydrophobicContact CD2-CB 4.03Å; W300-V359 HydrophobicContact CD2-CG1 3.72Å; W300-V359 HydrophobicContact CE3-CB 3.59Å; W300-V359 HydrophobicContact CE3-CG1 3.37Å; W300-V359 HydrophobicContact CE3-CG2 3.91Å; W300-V359 HydrophobicContact CH2-CG1 3.84Å; W300-V359 HydrophobicContact CZ2-CG1 4.1Å; W300-V359 HydrophobicContact CZ3-CB 4.08Å; W300-V359 HydrophobicContact CZ3-CG1 3.46Å; W300-V359 VanDerWaalsContact CZ3-CG1 3.46Å; W300-V359 HydrophobicContact CZ3-CG2 4.18Å; C301-V359 WeakPolarHBondContact CA-O 3.46Å; C301-V359 VanDerWaalsContact CB-O 3.31Å; C301-V359 WeakPolarHBondContact CB-O 3.44Å; C301-V359 PolarHBondContact N-O 3.27Å; H357-V359 WeakPolarHBondContact CE1-CG2 3.48Å; V359-T390 CarbonylContact C-O 3.53Å; V359-T390 WeakPolarHBondContact CA-O 3.35Å
360	I	90.5	Very high	79.9	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	107.8	177.6	-54.2	179.1	0	0	0	109.6	C301 L303 F342 V358 N362 A363 I366 L378 V389 T390 A391 V392	C301-I360 HydrophobicContact CB-CG1 4.45Å; L303-I360 HydrophobicContact CD1-CG2 4.21Å; F342-I360 HydrophobicContact CE1-CD1 3.69Å; F342-I360 HydrophobicContact CE1-CG1 4.39Å; F342-I360 HydrophobicContact CZ-CD1 3.75Å; F342-I360 HydrophobicContact CZ-CG1 3.94Å; F342-I360 HydrophobicContact CZ-CG2 4.03Å; V358-I360 HydrophobicContact CG1-CG1 4.1Å; I360-N362 PolarHBondContact O-N 3.3Å; I360-A363 HydrophobicContact CG2-CB 3.87Å; I360-I366 HydrophobicContact CD1-CD1 4.39Å; I360-I366 HydrophobicContact CG2-CD1 3.87Å; I360-L378 HydrophobicContact CD1-CD1 3.71Å; I360-L378 HydrophobicContact CD1-CD2 3.4Å; I360-L378 HydrophobicContact CD1-CG 4.18Å; I360-V389 HydrophobicContact CD1-CG1 3.67Å; I360-V389 HydrophobicContact CG1-CG1 4.25Å; I360-T390 PolarHBondContact N-O 3.1Å; I360-A391 HydrophobicContact CB-CB 4.03Å; I360-V392 PolarHBondContact O-N 3.32Å
361	D	87.1	Confident	78.4	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	101.5	174.5	-175.2	27.2	0	0	0	110.1	K281 C301 L303 I305	K281-D361 WeakPolarHBondContact CD-OD1 3.48Å; K281-D361 WeakPolarHBondContact CE-OD1 3.3Å; K281-D361 WeakPolarHBondContact CG-OD1 3.45Å; K281-D361 IonicContact NZ-OD1 3.43Å; K281-D361 PolarHBondContact NZ-OD1 2.94Å; K281-D361 IonicContact NZ-OD2 3.85Å; C301-D361 PolarHBondContact O-N 3.06Å; L303-D361 VanDerWaalsContact CB-O 3.28Å; L303-D361 WeakPolarHBondContact CB-O 3.24Å; L303-D361 PolarHBondContact N-O 2.86Å; I305-D361 PolarHBondContact N-OD2 3.03Å
362	N	83	Confident	77.1	Confident	18 Å²	18	58.7 Å²	58.7	10%	0.096	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.8	75.3	-179	-165.1	-6.8	0	0	0	114.4	E304 I360 L364 L365 V392	E304-N362 HydrophobicContact CB-CB 4.33Å; E304-N362 WeakPolarHBondContact OE2-CB 3.22Å; E304-N362 PolarHBondContact OE2-ND2 3.22Å; I360-N362 PolarHBondContact O-N 3.3Å; N362-L364 PolarHBondContact O-N 3.03Å; N362-L364 PolarHBondContact OD1-N 2.86Å; N362-L365 HydrophobicContact CB-CD1 4.05Å; N362-L365 HydrophobicContact CB-CG 4.26Å; N362-L365 PolarHBondContact O-N 3.42Å; N362-L365 VanDerWaalsContact O-N 3.08Å; N362-V392 WeakPolarHBondContact CA-O 3.19Å
363	A	83.1	Confident	76.6	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-61.4	-16.9	179.8	0	0	0	0	0	114.5	I360 L365 I366 F375 L378 A391 V392	I360-A363 HydrophobicContact CG2-CB 3.87Å; A363-L365 PolarHBondContact O-N 2.83Å; A363-I366 HydrophobicContact CB-CD1 4.25Å; A363-I366 WeakPolarHBondContact O-CB 3.32Å; A363-I366 PolarHBondContact O-N 3.32Å; A363-F375 HydrophobicContact CB-CE1 3.98Å; A363-F375 HydrophobicContact CB-CZ 4.45Å; A363-L378 HydrophobicContact CB-CD1 4.11Å; A363-A391 HydrophobicContact CB-CB 3.89Å; A363-V392 PolarHBondContact N-O 2.97Å; A363-V392 VanDerWaalsContact N-O 3.14Å
364	L	77.4	Confident	76.5	Confident	41 Å²	41	54.1 Å²	54.1	22%	0.215	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-73.7	-10.9	177.1	-61.6	178.4	0	0	0	113.4	N362 I366 F375 H394	N362-L364 PolarHBondContact O-N 3.03Å; N362-L364 PolarHBondContact OD1-N 2.86Å; L364-I366 VanDerWaalsContact C-N 3.33Å; L364-F375 HydrophobicContact CD2-CE2 3.86Å; L364-F375 HydrophobicContact CD2-CZ 3.91Å; L364-H394 WeakPolarHBondContact CD1-O 3.14Å
365	L	76.3	Confident	76.4	Confident	85 Å²	85	48.5 Å²	48.5	45%	0.445	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-81.7	-14.9	172.4	-64.4	177.9	0	0	0	112.5	L303 E304 N362 A363 T367	L303-L365 HydrophobicContact CB-CB 4.2Å; L303-L365 HydrophobicContact CB-CD1 3.88Å; L303-L365 HydrophobicContact CD1-CB 4.17Å; E304-L365 HydrophobicContact CB-CD1 4.2Å; N362-L365 HydrophobicContact CB-CD1 4.05Å; N362-L365 HydrophobicContact CB-CG 4.26Å; N362-L365 PolarHBondContact O-N 3.42Å; N362-L365 VanDerWaalsContact O-N 3.08Å; A363-L365 PolarHBondContact O-N 2.83Å; L365-T367 PolarHBondContact O-N 2.79Å; L365-T367 VanDerWaalsContact O-N 3.09Å
366	I	75.4	Confident	76.2	Confident	21 Å²	21	50 Å²	50	11%	0.108	28%	0.277	C	S	.	.			trans	-71.9	107.9	175.5	-56	166.1	0	0	0	107.7	L303 F342 I360 A363 L364 E368 V374	L303-I366 HydrophobicContact CD1-CD1 4.24Å; L303-I366 HydrophobicContact CD1-CG1 3.53Å; F342-I366 HydrophobicContact CB-CG2 4.13Å; F342-I366 HydrophobicContact CD1-CD1 3.68Å; F342-I366 HydrophobicContact CD1-CG1 4.23Å; F342-I366 HydrophobicContact CD1-CG2 4.23Å; F342-I366 HydrophobicContact CD2-CD1 4.26Å; F342-I366 HydrophobicContact CD2-CG1 4.13Å; F342-I366 HydrophobicContact CE1-CD1 3.36Å; F342-I366 HydrophobicContact CE1-CG1 4.24Å; F342-I366 HydrophobicContact CE2-CD1 4.02Å; F342-I366 HydrophobicContact CE2-CG1 4.17Å; F342-I366 HydrophobicContact CG-CD1 4.14Å; F342-I366 HydrophobicContact CG-CG1 4.19Å; F342-I366 HydrophobicContact CG-CG2 4.13Å; F342-I366 HydrophobicContact CZ-CD1 3.58Å; F342-I366 HydrophobicContact CZ-CG1 4.24Å; I360-I366 HydrophobicContact CD1-CD1 4.39Å; I360-I366 HydrophobicContact CG2-CD1 3.87Å; A363-I366 HydrophobicContact CB-CD1 4.25Å; A363-I366 WeakPolarHBondContact O-CB 3.32Å; A363-I366 PolarHBondContact O-N 3.32Å; L364-I366 VanDerWaalsContact C-N 3.33Å; I366-E368 HydrophobicContact CG2-CG 4.09Å; I366-V374 HydrophobicContact CB-CG2 3.73Å; I366-V374 HydrophobicContact CD1-CG2 3.99Å; I366-V374 HydrophobicContact CG1-CG2 4.45Å; I366-V374 HydrophobicContact CG2-CG2 3.83Å
367	T	63.3	Low	75.9	Confident	125 Å²	125	49 Å²	49	77%	0.767	27%	0.273	S	S	*	.			trans	-110.4	89.9	174.9	45	0	0	0	0	108.2	L365	L365-T367 PolarHBondContact O-N 2.79Å; L365-T367 VanDerWaalsContact O-N 3.09Å
368	E	58.7	Low	75.7	Confident	47 Å²	47	49.1 Å²	49.1	22%	0.22	27%	0.273	C	S	.	.			trans	-89	118.9	167.3	-67.3	-162.8	164.7	0	0	108.4	F342 V343 I366 G370 Q371	F342-E368 PolarHBondContact N-OE1 3.08Å; V343-E368 WeakPolarHBondContact CG2-OE1 3.32Å; V343-E368 PolarHBondContact N-OE1 3.47Å; I366-E368 HydrophobicContact CG2-CG 4.09Å; E368-G370 PolarHBondContact O-N 3.1Å; E368-Q371 HydrophobicContact CB-CG 4.48Å; E368-Q371 PolarHBondContact OE2-NE2 2.77Å
369	Q	45.8	Very low	75.5	Confident	194 Å²	194	50.5 Å²	50.5	91%	0.907	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	126.4	-179.4	-64.6	-155.7	-5.5	0	0	110.1
370	G	48.4	Very low	75.4	Confident	85 Å²	85	56.7 Å²	56.7	88%	0.876	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.3	-2.2	172.6	0	0	0	0	0	117.2	E368	E368-G370 PolarHBondContact O-N 3.1Å
371	Q	56.1	Low	75.4	Confident	85 Å²	85	56.8 Å²	56.8	40%	0.397	30%	0.303	S	S	.	.			trans	-96.6	138.7	-179.5	-66.7	-168.3	5.1	0	0	113.9	E368 E377	E368-Q371 HydrophobicContact CB-CG 4.48Å; E368-Q371 PolarHBondContact OE2-NE2 2.77Å; Q371-E377 VanDerWaalsContact OE1-CB 3.26Å; Q371-E377 VanDerWaalsContact OE1-CG 3.31Å
372	K	57.7	Low	75.7	Confident	214 Å²	214	56.8 Å²	56.8	93%	0.93	30%	0.303	S	S	*	.	S	Bend	trans	-75.8	-24	-176.7	-67.5	-178.7	179.5	177.8	0	114.2
373	S	74.5	Confident	76.2	Confident	19 Å²	19	60.4 Å²	60.4	13%	0.133	32%	0.322	C	S	.	.			trans	-158.7	116.2	178.9	178	0	0	0	0	111.2	F375 A376 E377 T418 D422	S373-F375 PolarHBondContact O-N 2.88Å; S373-F375 PolarHBondContact OG-N 3.18Å; S373-A376 PolarHBondContact O-N 3.41Å; S373-A376 PolarHBondContact OG-N 3.47Å; S373-E377 PolarHBondContact O-N 3.43Å; S373-T418 VanDerWaalsContact OG-CB 3.3Å; S373-T418 WeakPolarHBondContact OG-CB 3.39Å; S373-T418 PolarHBondContact OG-OG1 2.92Å; S373-D422 PolarHBondContact OG-OD2 2.83Å
374	V	80.1	Confident	76.5	Confident	29 Å²	29	63.4 Å²	63.4	18%	0.176	35%	0.346	C	S	.	.	H	α-helix	trans	-55.6	-36.7	173.2	67.3	0	0	0	0	112.1	I366 E377 L378	I366-V374 HydrophobicContact CB-CG2 3.73Å; I366-V374 HydrophobicContact CD1-CG2 3.99Å; I366-V374 HydrophobicContact CG1-CG2 4.45Å; I366-V374 HydrophobicContact CG2-CG2 3.83Å; V374-E377 PolarHBondContact O-N 2.88Å; V374-L378 HydrophobicContact CG2-CD1 4.34Å; V374-L378 HydrophobicContact CG2-CG 4.43Å; V374-L378 WeakPolarHBondContact O-CG 3.34Å; V374-L378 PolarHBondContact O-N 2.94Å
375	F	84.8	Confident	77.2	Confident	2 Å²	2	65.3 Å²	65.3	1%	0.009	35%	0.353	C	S	.	.	H	α-helix	trans	-73.6	-30.6	-176.3	-62.6	-70.5	0	0	0	112.7	L269 L271 A363 L364 S373 E377 L378 K379 G419 D422	L269-F375 HydrophobicContact CD2-CB 4.27Å; L269-F375 HydrophobicContact CD2-CD1 4.47Å; L269-F375 WeakPolarHBondContact CD2-O 3.44Å; L271-F375 HydrophobicContact CD1-CD1 4.08Å; L271-F375 HydrophobicContact CD1-CE1 4.04Å; L271-F375 HydrophobicContact CD2-CD1 3.67Å; L271-F375 HydrophobicContact CD2-CE1 3.49Å; L271-F375 VanDerWaalsContact CD2-CE1 3.49Å; L271-F375 HydrophobicContact CG-CE1 4.45Å; A363-F375 HydrophobicContact CB-CE1 3.98Å; A363-F375 HydrophobicContact CB-CZ 4.45Å; L364-F375 HydrophobicContact CD2-CE2 3.86Å; L364-F375 HydrophobicContact CD2-CZ 3.91Å; S373-F375 PolarHBondContact O-N 2.88Å; S373-F375 PolarHBondContact OG-N 3.18Å; F375-E377 VanDerWaalsContact C-N 3.28Å; F375-L378 HydrophobicContact CD1-CD1 4.4Å; F375-L378 PolarHBondContact O-N 2.78Å; F375-K379 WeakPolarHBondContact O-CB 3.46Å; F375-K379 PolarHBondContact O-N 3.33Å; F375-G419 VanDerWaalsContact CB-CA 3.4Å; F375-D422 HydrophobicContact CB-CB 4.12Å
376	A	85	Confident	77.9	Confident	40 Å²	40	67.4 Å²	67.4	33%	0.331	36%	0.36	S	S	.	.	H	α-helix	trans	-64.8	-40.2	173.2	0	0	0	0	0	110.2	S373 K379 R380 D422	S373-A376 PolarHBondContact O-N 3.41Å; S373-A376 PolarHBondContact OG-N 3.47Å; A376-K379 PolarHBondContact O-N 2.85Å; A376-R380 WeakPolarHBondContact O-CB 3.2Å; A376-R380 PolarHBondContact O-N 2.9Å; A376-D422 WeakPolarHBondContact CA-OD2 3.39Å; A376-D422 PolarHBondContact N-OD2 3.42Å; A376-D422 VanDerWaalsContact N-OD2 3.09Å
377	E	85.4	Confident	78.8	Confident	25 Å²	25	66.5 Å²	66.5	12%	0.117	36%	0.356	C	S	.	.	H	α-helix	trans	-68.8	-43.6	177.2	-174.2	66.2	-178.8	0	0	112.2	V343 Q371 S373 V374 F375 K379 R380 L381	V343-E377 HydrophobicContact CG2-CG 3.53Å; Q371-E377 VanDerWaalsContact OE1-CB 3.26Å; Q371-E377 VanDerWaalsContact OE1-CG 3.31Å; S373-E377 PolarHBondContact O-N 3.43Å; V374-E377 PolarHBondContact O-N 2.88Å; F375-E377 VanDerWaalsContact C-N 3.28Å; E377-K379 VanDerWaalsContact C-N 3.3Å; E377-K379 PolarHBondContact O-N 2.95Å; E377-R380 WeakPolarHBondContact O-CB 3.17Å; E377-R380 PolarHBondContact O-N 3.5Å; E377-R380 IonicContact OE1-CZ 2.79Å; E377-R380 IonicContact OE1-NE 3.55Å; E377-R380 IonicContact OE1-NH2 3.41Å; E377-R380 PolarHBondContact OE1-NH2 2.82Å; E377-R380 IonicContact OE2-CZ 2.71Å; E377-R380 IonicContact OE2-NE 3.67Å; E377-R380 PolarHBondContact OE2-NE 2.9Å; E377-R380 IonicContact OE2-NH2 3.6Å; E377-R380 PolarHBondContact OE2-NH2 3.48Å; E377-L381 VanDerWaalsContact O-CB 3.32Å; E377-L381 WeakPolarHBondContact O-CB 3.28Å; E377-L381 PolarHBondContact O-N 3.11Å
378	L	89.7	Confident	80.3	Confident	2 Å²	2	60.6 Å²	60.6	1%	0.01	32%	0.319	C	S	.	.	H	α-helix	trans	-61	-38.6	172.9	-67.9	178	0	0	0	112.1	L269 F342 I360 A363 V374 F375 L381 A382 V389 A391	L269-L378 HydrophobicContact CD1-CB 4.28Å; L269-L378 HydrophobicContact CD2-CB 4.41Å; F342-L378 HydrophobicContact CE1-CD2 4.01Å; I360-L378 HydrophobicContact CD1-CD1 3.71Å; I360-L378 HydrophobicContact CD1-CD2 3.4Å; I360-L378 HydrophobicContact CD1-CG 4.18Å; A363-L378 HydrophobicContact CB-CD1 4.11Å; V374-L378 HydrophobicContact CG2-CD1 4.34Å; V374-L378 HydrophobicContact CG2-CG 4.43Å; V374-L378 WeakPolarHBondContact O-CG 3.34Å; V374-L378 PolarHBondContact O-N 2.94Å; F375-L378 HydrophobicContact CD1-CD1 4.4Å; F375-L378 PolarHBondContact O-N 2.78Å; L378-L381 PolarHBondContact O-N 2.82Å; L378-A382 WeakPolarHBondContact O-CB 3.47Å; L378-A382 PolarHBondContact O-N 2.92Å; L378-V389 HydrophobicContact CB-CG1 4.49Å; L378-A391 HydrophobicContact CD1-CB 4.44Å
379	K	91	Very high	82	Confident	28 Å²	28	58.4 Å²	58.4	12%	0.122	31%	0.309	C	S	.	.	H	α-helix	trans	-67.5	-41.8	175.4	178.6	58.4	-176.3	173.3	0	111.5	G267 L269 F375 A376 E377 L381 A382 L383 D422 D424	G267-K379 PolarHBondContact O-NZ 3Å; L269-K379 HydrophobicContact CB-CD 4.17Å; L269-K379 HydrophobicContact CD2-CB 4.13Å; F375-K379 WeakPolarHBondContact O-CB 3.46Å; F375-K379 PolarHBondContact O-N 3.33Å; A376-K379 PolarHBondContact O-N 2.85Å; E377-K379 VanDerWaalsContact C-N 3.3Å; E377-K379 PolarHBondContact O-N 2.95Å; K379-L381 VanDerWaalsContact C-N 3.33Å; K379-A382 PolarHBondContact O-N 2.81Å; K379-L383 HydrophobicContact CD-CD1 4.43Å; K379-L383 HydrophobicContact CD-CG 4.41Å; K379-L383 HydrophobicContact CG-CD1 4.46Å; K379-L383 WeakPolarHBondContact O-CG 3.47Å; K379-L383 PolarHBondContact O-N 2.59Å; K379-D422 HydrophobicContact CB-CB 4.3Å; K379-D424 WeakPolarHBondContact CE-OD2 3.34Å; K379-D424 IonicContact NZ-OD1 2.84Å; K379-D424 PolarHBondContact NZ-OD1 3.13Å; K379-D424 IonicContact NZ-OD2 3.94Å; K379-D424 PolarHBondContact NZ-OD2 2.99Å
380	R	90.6	Very high	84.4	Confident	131 Å²	131	49.2 Å²	49.2	49%	0.494	27%	0.266	S	S	.	.	H	α-helix	trans	-59.7	-45.1	174.1	-172.8	-178.7	75.9	86.8	1.2	110.9	A376 E377 L383 A384	A376-R380 WeakPolarHBondContact O-CB 3.2Å; A376-R380 PolarHBondContact O-N 2.9Å; E377-R380 WeakPolarHBondContact O-CB 3.17Å; E377-R380 PolarHBondContact O-N 3.5Å; E377-R380 IonicContact OE1-CZ 2.79Å; E377-R380 IonicContact OE1-NE 3.55Å; E377-R380 IonicContact OE1-NH2 3.41Å; E377-R380 PolarHBondContact OE1-NH2 2.82Å; E377-R380 IonicContact OE2-CZ 2.71Å; E377-R380 IonicContact OE2-NE 3.67Å; E377-R380 PolarHBondContact OE2-NE 2.9Å; E377-R380 IonicContact OE2-NH2 3.6Å; E377-R380 PolarHBondContact OE2-NH2 3.48Å; R380-L383 PolarHBondContact O-N 3.07Å; R380-A384 WeakPolarHBondContact O-CB 3.29Å; R380-A384 PolarHBondContact O-N 3.45Å
381	L	90.9	Very high	86.5	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-62.3	-46.9	176.8	178.3	63.3	0	0	0	112	V343 I346 E347 E377 L378 K379 L383 A384 K385	V343-L381 HydrophobicContact CG1-CD1 4.12Å; V343-L381 HydrophobicContact CG1-CD2 4.34Å; I346-L381 HydrophobicContact CB-CD2 3.9Å; I346-L381 HydrophobicContact CD1-CD2 3.8Å; I346-L381 HydrophobicContact CG1-CD2 4.46Å; I346-L381 HydrophobicContact CG2-CD1 4.48Å; I346-L381 HydrophobicContact CG2-CD2 3.74Å; I346-L381 HydrophobicContact CG2-CG 4.37Å; E347-L381 HydrophobicContact CG-CD1 3.47Å; E347-L381 VanDerWaalsContact CG-CD1 3.47Å; E377-L381 VanDerWaalsContact O-CB 3.32Å; E377-L381 WeakPolarHBondContact O-CB 3.28Å; E377-L381 PolarHBondContact O-N 3.11Å; L378-L381 PolarHBondContact O-N 2.82Å; K379-L381 VanDerWaalsContact C-N 3.33Å; L381-L383 VanDerWaalsContact C-N 3.32Å; L381-L383 PolarHBondContact O-N 2.5Å; L381-A384 PolarHBondContact O-N 3.18Å; L381-K385 HydrophobicContact CD1-CG 4Å; L381-K385 PolarHBondContact O-N 2.86Å
382	A	93.4	Very high	88.1	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-55.2	-47.6	176	0	0	0	0	0	111.4	G267 L378 K379 H386 L387 V389	G267-A382 WeakPolarHBondContact CA-O 3.43Å; L378-A382 WeakPolarHBondContact O-CB 3.47Å; L378-A382 PolarHBondContact O-N 2.92Å; K379-A382 PolarHBondContact O-N 2.81Å; A382-H386 CarbonylContact O-C 3.48Å; A382-H386 VanDerWaalsContact O-CA 3.27Å; A382-H386 WeakPolarHBondContact O-CA 3.34Å; A382-H386 PolarHBondContact O-N 2.85Å; A382-L387 WeakPolarHBondContact CA-O 3.31Å; A382-L387 WeakPolarHBondContact CB-O 3.31Å; A382-L387 PolarHBondContact O-N 2.89Å; A382-V389 HydrophobicContact CB-CG2 3.89Å
383	L	91.8	Very high	89	Confident	95 Å²	95	31 Å²	31	50%	0.497	16%	0.161	S	C	.	.	H	α-helix	trans	-68	-46.2	178.4	-72.1	173.5	0	0	0	112.9	K379 R380 L381 K385	K379-L383 HydrophobicContact CD-CD1 4.43Å; K379-L383 HydrophobicContact CD-CG 4.41Å; K379-L383 HydrophobicContact CG-CD1 4.46Å; K379-L383 WeakPolarHBondContact O-CG 3.47Å; K379-L383 PolarHBondContact O-N 2.59Å; R380-L383 PolarHBondContact O-N 3.07Å; L381-L383 VanDerWaalsContact C-N 3.32Å; L381-L383 PolarHBondContact O-N 2.5Å; L383-K385 VanDerWaalsContact C-N 3.35Å; L383-K385 PolarHBondContact O-N 3.09Å
384	A	91.1	Very high	88.7	Confident	62 Å²	62	30.4 Å²	30.4	51%	0.512	16%	0.157	S	C	.	.	H	α-helix	trans	-69.7	-31.2	-173.9	0	0	0	0	0	113.3	R380 L381	R380-A384 WeakPolarHBondContact O-CB 3.29Å; R380-A384 PolarHBondContact O-N 3.45Å; L381-A384 PolarHBondContact O-N 3.18Å
385	K	90.9	Very high	87.4	Confident	81 Å²	81	30.4 Å²	30.4	35%	0.352	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.9	6.4	-179.2	-64.8	-63.8	-174.3	173.1	0	113.3	E347 L381 L383 L387	E347-K385 HydrophobicContact CG-CG 4.31Å; L381-K385 HydrophobicContact CD1-CG 4Å; L381-K385 PolarHBondContact O-N 2.86Å; L383-K385 VanDerWaalsContact C-N 3.35Å; L383-K385 PolarHBondContact O-N 3.09Å; K385-L387 VanDerWaalsContact C-N 3.26Å; K385-L387 HydrophobicContact CB-CD1 3.72Å; K385-L387 HydrophobicContact CB-CD2 4.45Å; K385-L387 HydrophobicContact CB-CG 3.68Å; K385-L387 PolarHBondContact O-N 3.2Å
386	H	91.2	Very high	85.6	Confident	130 Å²	130	38.2 Å²	38.2	60%	0.602	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.6	46.9	-175.2	-62.6	-73.8	0	0	0	112.7	L266 A382	L266-H386 WeakPolarHBondContact CB-O 3.16Å; L266-H386 WeakPolarHBondContact CD2-O 3.46Å; A382-H386 CarbonylContact O-C 3.48Å; A382-H386 VanDerWaalsContact O-CA 3.27Å; A382-H386 WeakPolarHBondContact O-CA 3.34Å; A382-H386 PolarHBondContact O-N 2.85Å
387	L	93.7	Very high	83.5	Confident	2 Å²	2	44.5 Å²	44.5	1%	0.01	21%	0.209	C	C	.	.			trans	-102.9	149.1	178.2	-54.6	173.2	0	0	0	110	G267 I346 A350 I355 V358 A382 K385	G267-L387 WeakPolarHBondContact CA-O 3.22Å; G267-L387 PolarHBondContact N-O 2.89Å; I346-L387 HydrophobicContact CG2-CD1 3.79Å; A350-L387 HydrophobicContact CB-CD1 3.88Å; A350-L387 HydrophobicContact CB-CD2 3.94Å; A350-L387 HydrophobicContact CB-CG 4.44Å; I355-L387 WeakPolarHBondContact O-CD2 3.25Å; V358-L387 HydrophobicContact CG2-CD1 4.02Å; A382-L387 WeakPolarHBondContact CA-O 3.31Å; A382-L387 WeakPolarHBondContact CB-O 3.31Å; A382-L387 PolarHBondContact O-N 2.89Å; K385-L387 VanDerWaalsContact C-N 3.26Å; K385-L387 HydrophobicContact CB-CD1 3.72Å; K385-L387 HydrophobicContact CB-CD2 4.45Å; K385-L387 HydrophobicContact CB-CG 3.68Å; K385-L387 PolarHBondContact O-N 3.2Å
388	H	95.8	Very high	81	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	122.8	160.1	-168.4	126	0	0	0	108.5	F264 R265 E268 T270 Q356 H357 V358 T390	F264-H388 HydrophobicContact CD2-CB 4.41Å; F264-H388 AromaticContact CD2-CE1 3.86Å; F264-H388 AromaticContact CD2-CG 3.86Å; F264-H388 AromaticContact CD2-ND1 3.42Å; F264-H388 WeakPolarHBondContact CD2-ND1 3.45Å; F264-H388 HydrophobicContact CE1-CB 3.84Å; F264-H388 HydrophobicContact CE2-CB 3.5Å; F264-H388 AromaticContact CE2-CD2 3.79Å; F264-H388 AromaticContact CE2-CE1 3.95Å; F264-H388 AromaticContact CE2-CG 3.24Å; F264-H388 AromaticContact CE2-ND1 3.33Å; F264-H388 VanDerWaalsContact CE2-ND1 3.33Å; F264-H388 WeakPolarHBondContact CE2-ND1 3.3Å; F264-H388 AromaticContact CG-ND1 3.97Å; F264-H388 HydrophobicContact CZ-CB 3.17Å; F264-H388 AromaticContact CZ-CG 3.52Å; F264-H388 AromaticContact CZ-ND1 3.81Å; R265-H388 PolarHBondContact O-ND1 3.24Å; E268-H388 CarbonylContact O-C 3.59Å; E268-H388 WeakPolarHBondContact O-CA 3.24Å; E268-H388 IonicContact OE2-CE1 4Å; T270-H388 PolarHBondContact OG1-CE1 3.4Å; T270-H388 PolarHBondContact OG1-NE2 3.29Å; Q356-H388 PolarHBondContact O-N 3.46Å; H357-H388 CarbonylContact C-O 3.45Å; H357-H388 WeakPolarHBondContact CA-O 3.1Å; H357-H388 PolarHBondContact CD2-O 2.86Å; V358-H388 PolarHBondContact N-O 2.9Å; H388-T390 PolarHBondContact CD2-OG1 3.32Å
389	V	95.2	Very high	78.2	Confident	0 Å²	0	57 Å²	57	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	121.1	176.5	-179.6	0	0	0	0	109.6	E268 L269 T270 V358 I360 L378 A382	E268-V389 PolarHBondContact O-N 3.41Å; L269-V389 CarbonylContact C-O 3.56Å; L269-V389 WeakPolarHBondContact CA-O 3.46Å; L269-V389 HydrophobicContact CD1-CB 3.93Å; L269-V389 HydrophobicContact CD1-CG1 3.76Å; T270-V389 PolarHBondContact N-O 3.42Å; V358-V389 HydrophobicContact CB-CG2 4.34Å; V358-V389 CarbonylContact O-C 3.55Å; V358-V389 WeakPolarHBondContact O-CA 3.29Å; I360-V389 HydrophobicContact CD1-CG1 3.67Å; I360-V389 HydrophobicContact CG1-CG1 4.25Å; L378-V389 HydrophobicContact CB-CG1 4.49Å; A382-V389 HydrophobicContact CB-CG2 3.89Å
390	T	95.6	Very high	75.3	Confident	2 Å²	2	67.1 Å²	67.1	1%	0.012	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	109.7	173.3	-53.6	0	0	0	0	109.8	T270 L284 Y287 H357 V358 V359 I360 H388	T270-T390 HydrophobicContact CG2-CG2 4.23Å; T270-T390 CarbonylContact O-C 3.56Å; T270-T390 WeakPolarHBondContact O-CA 3.25Å; L284-T390 HydrophobicContact CD1-CG2 3.45Å; L284-T390 VanDerWaalsContact CD1-CG2 3.45Å; Y287-T390 HydrophobicContact CE1-CG2 4.4Å; H357-T390 WeakPolarHBondContact NE2-CB 3.27Å; H357-T390 PolarHBondContact NE2-OG1 3.32Å; V358-T390 PolarHBondContact O-N 3.22Å; V359-T390 CarbonylContact C-O 3.53Å; V359-T390 WeakPolarHBondContact CA-O 3.35Å; I360-T390 PolarHBondContact N-O 3.1Å; H388-T390 PolarHBondContact CD2-OG1 3.32Å
391	A	92.3	Very high	72.3	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	138.2	-173.8	0	0	0	0	0	112.5	L269 T270 L271 L272 I360 A363 L378	L269-A391 HydrophobicContact CD1-CB 4.41Å; T270-A391 PolarHBondContact O-N 3.23Å; L271-A391 WeakPolarHBondContact CA-O 3.45Å; L271-A391 HydrophobicContact CD2-CB 3.81Å; L272-A391 PolarHBondContact N-O 3.25Å; I360-A391 HydrophobicContact CB-CB 4.03Å; A363-A391 HydrophobicContact CB-CB 3.89Å; L378-A391 HydrophobicContact CD1-CB 4.44Å
392	V	89.5	Confident	69.4	Low	0 Å²	0	75.3 Å²	75.3	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	122.9	173.4	-177	0	0	0	0	110.1	L272 K280 L284 I360 N362 A363	L272-V392 WeakPolarHBondContact O-CA 3.27Å; K280-V392 HydrophobicContact CB-CG1 4.28Å; K280-V392 HydrophobicContact CD-CG1 3.92Å; L284-V392 HydrophobicContact CD2-CG2 3.47Å; L284-V392 VanDerWaalsContact CD2-CG2 3.47Å; I360-V392 PolarHBondContact O-N 3.32Å; N362-V392 WeakPolarHBondContact CA-O 3.19Å; A363-V392 PolarHBondContact N-O 2.97Å; A363-V392 VanDerWaalsContact N-O 3.14Å
393	G	77.4	Confident	66.4	Low	0 Å²	0	81.1 Å²	81.1	0%	0	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	109.5	174.9	0	0	0	0	0	111.7	L272 T273	L272-G393 PolarHBondContact O-N 2.94Å; T273-G393 WeakPolarHBondContact CB-O 3.04Å; T273-G393 PolarHBondContact OG1-O 3.1Å
394	H	66.6	Low	63.4	Low	8 Å²	8	83.1 Å²	83.1	4%	0.037	39%	0.392	C	S	.	.			trans	-84.5	125.3	173	-71.9	-99.9	0	0	0	110.5	Y276 K280 K281 E304 L364 R396	Y276-H394 AromaticContact CD1-ND1 3.52Å; Y276-H394 HydrophobicContact CE1-CB 4.23Å; Y276-H394 AromaticContact CE1-ND1 3.34Å; Y276-H394 VanDerWaalsContact CE1-ND1 3.34Å; Y276-H394 WeakPolarHBondContact CE1-ND1 3.09Å; Y276-H394 AromaticContact CZ-ND1 3.93Å; K280-H394 VanDerWaalsContact CE-CE1 3.44Å; K280-H394 WeakPolarHBondContact CE-CE1 3.38Å; K280-H394 PolarHBondContact NZ-CE1 3.33Å; K281-H394 PolarHBondContact NZ-NE2 2.99Å; E304-H394 IonicContact OE2-NE2 3.95Å; L364-H394 WeakPolarHBondContact CD1-O 3.14Å; H394-R396 PolarHBondContact O-N 3.02Å
395	P	52.9	Low	60.6	Low	28 Å²	28	89 Å²	89	18%	0.182	40%	0.401	C	S	.	.			trans	-66.2	109.4	164.8	26.2	-29.6	0	0	0	108.1	Q397	P395-Q397 PolarHBondContact O-N 3.37Å
396	R	47.8	Very low	58	Low	167 Å²	167	93.2 Å²	93.2	63%	0.63	43%	0.426	S	S	*	.			trans	-53	132.8	169.3	-74.6	-174.9	-179.7	178.9	1	108.2	H394 V398 N415	H394-R396 PolarHBondContact O-N 3.02Å; R396-V398 PolarHBondContact O-N 2.96Å; R396-N415 PolarHBondContact O-ND2 3.24Å
397	Q	41.4	Very low	55.4	Low	172 Å²	172	91 Å²	91	80%	0.804	42%	0.418	S	S	*	.			trans	-53.7	102.1	179	-69.5	-179.8	-3.8	0	0	109.8	Y276 P395	Y276-Q397 HydrophobicContact CE2-CG 4.22Å; P395-Q397 PolarHBondContact O-N 3.37Å
398	V	32	Very low	52.8	Low	91 Å²	91	97.2 Å²	97.2	55%	0.552	45%	0.45	S	S	*	.			trans	-92.3	121.2	164.6	-177.2	0	0	0	0	106.1	R396 R400 N415	R396-V398 PolarHBondContact O-N 2.96Å; V398-R400 PolarHBondContact O-N 3.49Å; V398-N415 WeakPolarHBondContact CG2-ND2 3.36Å
399	K	30.9	Very low	50.5	Low	197 Å²	197	104 Å²	104	86%	0.857	49%	0.485	S	S	*	.			trans	-49.1	127.5	173.2	-71	179.3	176	180	0	109.1	Q401	K399-Q401 PolarHBondContact O-N 3.12Å
400	R	29.3	Very low	48.2	Very low	242 Å²	242	105.5 Å²	105.5	91%	0.913	49%	0.493	S	S	*	.	S	Bend	trans	-51.7	106.2	173	-93.6	174.6	158.5	160.9	-6.7	109.3	V398	V398-R400 PolarHBondContact O-N 3.49Å
401	Q	28.9	Very low	45.6	Very low	174 Å²	174	111.1 Å²	111.1	81%	0.813	53%	0.529	S	S	*	.			trans	172	147.3	143	-93.2	159.5	20	0	0	109.1	K399	K399-Q401 PolarHBondContact O-N 3.12Å
402	L	29.2	Very low	43.4	Very low	130 Å²	130	112.5 Å²	112.5	68%	0.681	54%	0.539	S	S	*	.			trans	82.4	127.5	175.8	-88.5	90.5	0	0	0	120.7	R414	L402-R414 VanDerWaalsContact O-CZ 3.29Å; L402-R414 PolarHBondContact O-NH1 2.58Å; L402-R414 PolarHBondContact O-NH2 2.71Å
403	L	30.2	Very low	41.5	Very low	122 Å²	122	113.4 Å²	113.4	64%	0.639	54%	0.544	S	S	*	.			trans	96.4	65.7	147.4	-68.5	152.6	0	0	0	118.3	R414	L403-R414 PolarHBondContact O-NH2 3.21Å
404	E	29.1	Very low	39.8	Very low	137 Å²	137	117.9 Å²	117.9	64%	0.64	56%	0.561	S	S	*	*				-0.8	143.9	119.7	-78.1	-167.7	-172.1	0	0	120.4
405	R	32.9	Very low	39	Very low	186 Å²	186	120.9 Å²	120.9	70%	0.702	58%	0.577	S	S	*	*	S	Bend	trans	63.7	69.4	151.5	-60.1	165.3	-160.1	-143.7	2.6	115.9	L408	R405-L408 HydrophobicContact CG-CD1 4.41Å
406	I	36.6	Very low	39	Very low	169 Å²	169	119.7 Å²	119.7	87%	0.867	57%	0.569	S	S	*	*	S	Bend		-159.1	14.1	85.5	-83.5	157.3	0	0	0	109.4	L408	I406-L408 PolarHBondContact O-N 3.01Å
407	L	35.2	Very low	39.2	Very low	82 Å²	82	117.1 Å²	117.1	43%	0.429	56%	0.562	S	S	.	*			trans	-87.9	25.9	172.7	-82	153.9	0	0	0	112.8	I409 I410	L407-I409 VanDerWaalsContact C-N 3.3Å; L407-I409 PolarHBondContact O-N 3.3Å; L407-I410 PolarHBondContact O-N 3.4Å
408	L	40.1	Very low	40	Very low	133 Å²	133	112.1 Å²	112.1	70%	0.696	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-7.5	-159.8	-96.2	157.4	0	0	0	115.9	R405 I406	R405-L408 HydrophobicContact CG-CD1 4.41Å; I406-L408 PolarHBondContact O-N 3.01Å
409	I	46.4	Very low	41.2	Very low	144 Å²	144	107.8 Å²	107.8	74%	0.738	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-29	178.4	-53	-180	0	0	0	111	L407	L407-I409 VanDerWaalsContact C-N 3.3Å; L407-I409 PolarHBondContact O-N 3.3Å
410	I	48.4	Very low	42.9	Very low	31 Å²	31	99.3 Å²	99.3	16%	0.159	48%	0.484	C	S	.	.			trans	-146.6	93.8	-170.3	-67.2	169.5	0	0	0	112.3	L407 S412 L413 W448	L407-I410 PolarHBondContact O-N 3.4Å; I410-S412 PolarHBondContact O-N 3.49Å; I410-S412 VanDerWaalsContact O-N 3.11Å; I410-L413 HydrophobicContact CB-CD1 4.1Å; I410-L413 HydrophobicContact CD1-CD1 3.83Å; I410-L413 HydrophobicContact CG2-CB 3.85Å; I410-L413 HydrophobicContact CG2-CD1 3.39Å; I410-L413 HydrophobicContact CG2-CG 3.39Å; I410-W448 HydrophobicContact CB-CE3 4.38Å; I410-W448 HydrophobicContact CB-CH2 4.09Å; I410-W448 HydrophobicContact CB-CZ3 4.01Å; I410-W448 HydrophobicContact CD1-CB 4.11Å; I410-W448 HydrophobicContact CD1-CD2 3.57Å; I410-W448 HydrophobicContact CD1-CE3 3.52Å; I410-W448 HydrophobicContact CD1-CG 3.95Å; I410-W448 HydrophobicContact CD1-CH2 4.45Å; I410-W448 HydrophobicContact CD1-CZ3 4.05Å; I410-W448 HydrophobicContact CG1-CD2 4.03Å; I410-W448 HydrophobicContact CG1-CE3 3.91Å; I410-W448 HydrophobicContact CG1-CH2 3.91Å; I410-W448 HydrophobicContact CG1-CZ2 4.06Å; I410-W448 HydrophobicContact CG1-CZ3 3.93Å; I410-W448 HydrophobicContact CG2-CD2 4.44Å; I410-W448 HydrophobicContact CG2-CE3 3.54Å; I410-W448 HydrophobicContact CG2-CH2 3.25Å; I410-W448 HydrophobicContact CG2-CZ2 4.22Å; I410-W448 HydrophobicContact CG2-CZ3 2.9Å
411	P	40.7	Very low	45	Very low	120 Å²	120	96.4 Å²	96.4	78%	0.779	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-9.4	-179.1	-23.9	34.3	0	0	0	116.2
412	S	45.7	Very low	47.6	Very low	29 Å²	29	90.1 Å²	90.1	20%	0.203	45%	0.447	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	0	-169	48.6	0	0	0	0	115	I410 R428 W448	I410-S412 PolarHBondContact O-N 3.49Å; I410-S412 VanDerWaalsContact O-N 3.11Å; S412-R428 VanDerWaalsContact OG-CZ 3.28Å; S412-R428 PolarHBondContact OG-NH1 3.4Å; S412-R428 PolarHBondContact OG-NH2 3.22Å; S412-W448 WeakPolarHBondContact OG-CH2 3.42Å
413	L	50	Low	50.4	Low	20 Å²	20	84 Å²	84	11%	0.105	41%	0.414	C	S	.	.			trans	-95	10.4	177.8	-73.1	173.2	0	0	0	113.5	I410 N415 L416 K417 W448	I410-L413 HydrophobicContact CB-CD1 4.1Å; I410-L413 HydrophobicContact CD1-CD1 3.83Å; I410-L413 HydrophobicContact CG2-CB 3.85Å; I410-L413 HydrophobicContact CG2-CD1 3.39Å; I410-L413 HydrophobicContact CG2-CG 3.39Å; L413-N415 PolarHBondContact O-N 3.49Å; L413-N415 VanDerWaalsContact O-N 3.09Å; L413-L416 HydrophobicContact CB-CB 4.3Å; L413-L416 HydrophobicContact CD2-CB 3.63Å; L413-L416 HydrophobicContact CD2-CD1 4.18Å; L413-L416 HydrophobicContact CD2-CD2 3.73Å; L413-L416 HydrophobicContact CD2-CG 4.05Å; L413-L416 CarbonylContact O-C 3.54Å; L413-L416 WeakPolarHBondContact O-CA 3.28Å; L413-L416 PolarHBondContact O-N 3.29Å; L413-K417 PolarHBondContact O-N 3.15Å; L413-W448 HydrophobicContact CD1-CE3 3.88Å; L413-W448 HydrophobicContact CD1-CZ3 4.17Å; L413-W448 HydrophobicContact CD2-CE3 4.49Å; L413-W448 HydrophobicContact CG-CE3 4.12Å; L413-W448 HydrophobicContact CG-CZ3 3.99Å
414	R	42.2	Very low	53.4	Low	94 Å²	94	78.4 Å²	78.4	36%	0.355	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-27.5	-171.1	-152.4	-176.3	-93.9	-173.9	-4.8	113.8	L402 L403 K417	L402-R414 VanDerWaalsContact O-CZ 3.29Å; L402-R414 PolarHBondContact O-NH1 2.58Å; L402-R414 PolarHBondContact O-NH2 2.71Å; L403-R414 PolarHBondContact O-NH2 3.21Å; R414-K417 WeakPolarHBondContact O-CG 3.36Å
415	N	48.4	Very low	56.4	Low	71 Å²	71	72 Å²	72	38%	0.38	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-9.3	173.7	-65.5	-23.4	0	0	0	113.8	R396 V398 L413 K417	R396-N415 PolarHBondContact O-ND2 3.24Å; V398-N415 WeakPolarHBondContact CG2-ND2 3.36Å; L413-N415 PolarHBondContact O-N 3.49Å; L413-N415 VanDerWaalsContact O-N 3.09Å; N415-K417 VanDerWaalsContact C-N 3.26Å
416	L	53.5	Low	59.2	Low	2 Å²	2	63.4 Å²	63.4	1%	0.01	32%	0.323	C	S	.	.			trans	-87.9	10.6	168.3	-91.8	95.7	0	0	0	111.5	L271 L413 T418 G419 A420	L271-L416 HydrophobicContact CD1-CD2 3.83Å; L413-L416 HydrophobicContact CB-CB 4.3Å; L413-L416 HydrophobicContact CD2-CB 3.63Å; L413-L416 HydrophobicContact CD2-CD1 4.18Å; L413-L416 HydrophobicContact CD2-CD2 3.73Å; L413-L416 HydrophobicContact CD2-CG 4.05Å; L413-L416 CarbonylContact O-C 3.54Å; L413-L416 WeakPolarHBondContact O-CA 3.28Å; L413-L416 PolarHBondContact O-N 3.29Å; L416-T418 PolarHBondContact O-N 2.7Å; L416-T418 VanDerWaalsContact O-N 3.09Å; L416-G419 PolarHBondContact O-N 3.24Å; L416-G419 VanDerWaalsContact O-N 3.08Å; L416-A420 VanDerWaalsContact O-CB 3.26Å; L416-A420 WeakPolarHBondContact O-CB 3.21Å; L416-A420 PolarHBondContact O-N 2.97Å
417	K	52.3	Low	61.9	Low	113 Å²	113	55.5 Å²	55.5	49%	0.491	28%	0.283	S	S	.	.	H	α-helix	trans	-47.6	-45.4	-176	-87.3	-177.9	178.1	-171.6	0	112.4	L413 R414 N415 Y421	L413-K417 PolarHBondContact O-N 3.15Å; R414-K417 WeakPolarHBondContact O-CG 3.36Å; N415-K417 VanDerWaalsContact C-N 3.26Å; K417-Y421 WeakPolarHBondContact O-CD2 3.4Å; K417-Y421 WeakPolarHBondContact O-CE2 3.44Å
418	T	57.2	Low	64.6	Low	67 Å²	67	53.4 Å²	53.4	41%	0.411	27%	0.269	S	S	.	.	H	α-helix	trans	-73.8	-50.4	177.3	56.1	0	0	0	0	111.9	S373 L416 A420 Y421 D422	S373-T418 VanDerWaalsContact OG-CB 3.3Å; S373-T418 WeakPolarHBondContact OG-CB 3.39Å; S373-T418 PolarHBondContact OG-OG1 2.92Å; L416-T418 PolarHBondContact O-N 2.7Å; L416-T418 VanDerWaalsContact O-N 3.09Å; T418-A420 VanDerWaalsContact C-N 3.32Å; T418-A420 PolarHBondContact O-N 2.88Å; T418-Y421 PolarHBondContact O-N 3.27Å; T418-Y421 VanDerWaalsContact O-N 3.14Å; T418-D422 PolarHBondContact O-N 3.43Å; T418-D422 VanDerWaalsContact O-OD2 3.1Å
419	G	58.6	Low	67.1	Low	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-62.8	-32	-178.1	0	0	0	0	0	115.6	L271 F375 L416 Y421 D422 A423	L271-G419 WeakPolarHBondContact CD1-O 3.44Å; F375-G419 VanDerWaalsContact CB-CA 3.4Å; L416-G419 PolarHBondContact O-N 3.24Å; L416-G419 VanDerWaalsContact O-N 3.08Å; G419-Y421 VanDerWaalsContact C-N 3.31Å; G419-Y421 PolarHBondContact O-N 3.38Å; G419-D422 PolarHBondContact O-N 3.1Å; G419-A423 WeakPolarHBondContact O-CB 3.38Å; G419-A423 PolarHBondContact O-N 2.92Å
420	A	65.3	Low	69.1	Low	19 Å²	19	40.4 Å²	40.4	16%	0.157	20%	0.202	C	C	.	.	H	α-helix	trans	-69.6	-28.8	178.4	0	0	0	0	0	112.3	L416 T418 I426 K449	L416-A420 VanDerWaalsContact O-CB 3.26Å; L416-A420 WeakPolarHBondContact O-CB 3.21Å; L416-A420 PolarHBondContact O-N 2.97Å; T418-A420 VanDerWaalsContact C-N 3.32Å; T418-A420 PolarHBondContact O-N 2.88Å; A420-I426 HydrophobicContact CB-CD1 3.76Å; A420-K449 PolarHBondContact O-NZ 3.5Å
421	Y	74.8	Confident	70.9	Confident	182 Å²	182	41.4 Å²	41.4	71%	0.714	21%	0.21	S	C	*	.	H	α-helix	trans	-73.3	-45.1	172.1	-74	-68.8	0	0	0	111.1	K417 T418 G419 K449 R451	K417-Y421 WeakPolarHBondContact O-CD2 3.4Å; K417-Y421 WeakPolarHBondContact O-CE2 3.44Å; T418-Y421 PolarHBondContact O-N 3.27Å; T418-Y421 VanDerWaalsContact O-N 3.14Å; G419-Y421 VanDerWaalsContact C-N 3.31Å; G419-Y421 PolarHBondContact O-N 3.38Å; Y421-K449 PolarHBondContact O-NZ 2.94Å; Y421-R451 PolarHBondContact O-NH2 2.91Å
422	D	83.1	Confident	72.8	Confident	42 Å²	42	39.1 Å²	39.1	23%	0.225	19%	0.188	C	C	.	.	H	α-helix	trans	-70.2	-42.6	-174.9	-63.5	-43.8	0	0	0	112.5	L269 S373 F375 A376 K379 T418 G419 R451	L269-D422 HydrophobicContact CD2-CB 4.49Å; S373-D422 PolarHBondContact OG-OD2 2.83Å; F375-D422 HydrophobicContact CB-CB 4.12Å; A376-D422 WeakPolarHBondContact CA-OD2 3.39Å; A376-D422 PolarHBondContact N-OD2 3.42Å; A376-D422 VanDerWaalsContact N-OD2 3.09Å; K379-D422 HydrophobicContact CB-CB 4.3Å; T418-D422 PolarHBondContact O-N 3.43Å; T418-D422 VanDerWaalsContact O-OD2 3.1Å; G419-D422 PolarHBondContact O-N 3.1Å; D422-R451 PolarHBondContact O-NH1 3.45Å; D422-R451 VanDerWaalsContact O-NH1 3.1Å
423	A	88.5	Confident	74.1	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.213	C	C	.	.			trans	-60.4	142.9	-177.5	0	0	0	0	0	113.3	L269 L271 G419 I426 K449	L269-A423 HydrophobicContact CD2-CB 4.32Å; L269-A423 HydrophobicContact CG-CB 4.24Å; L269-A423 CarbonylContact O-C 3.52Å; L271-A423 HydrophobicContact CB-CB 4.42Å; L271-A423 HydrophobicContact CD1-CB 3.63Å; L271-A423 HydrophobicContact CG-CB 3.6Å; G419-A423 WeakPolarHBondContact O-CB 3.38Å; G419-A423 PolarHBondContact O-N 2.92Å; A423-I426 HydrophobicContact CB-CG1 4.24Å; A423-K449 WeakPolarHBondContact O-CE 3.37Å; A423-K449 PolarHBondContact O-NZ 2.85Å
424	D	91.7	Very high	74.9	Confident	5 Å²	5	45.9 Å²	45.9	3%	0.027	22%	0.221	C	C	.	.	S	Bend	trans	-83.6	-40.1	172.7	-54.3	-76.3	0	0	0	110.5	E268 L269 K379 N450 R451	E268-D424 VanDerWaalsContact CA-OD2 3.25Å; E268-D424 WeakPolarHBondContact CA-OD2 3.44Å; E268-D424 HydrophobicContact CB-CB 4.18Å; E268-D424 HydrophobicContact CG-CB 4.17Å; L269-D424 PolarHBondContact N-OD2 2.89Å; L269-D424 PolarHBondContact O-N 3.39Å; K379-D424 WeakPolarHBondContact CE-OD2 3.34Å; K379-D424 IonicContact NZ-OD1 2.84Å; K379-D424 PolarHBondContact NZ-OD1 3.13Å; K379-D424 IonicContact NZ-OD2 3.94Å; K379-D424 PolarHBondContact NZ-OD2 2.99Å; D424-N450 CarbonylContact O-C 3.58Å; D424-N450 WeakPolarHBondContact O-CA 3.49Å; D424-R451 HydrophobicContact CB-CB 4.09Å; D424-R451 PolarHBondContact O-N 2.94Å; D424-R451 WeakPolarHBondContact OD1-CD 3.29Å; D424-R451 IonicContact OD1-CZ 3.81Å; D424-R451 IonicContact OD1-NE 2.64Å; D424-R451 IonicContact OD1-NH1 3.6Å; D424-R451 PolarHBondContact OD1-NH1 3.34Å
425	N	92.5	Very high	75.7	Confident	3 Å²	3	51.7 Å²	51.7	2%	0.016	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	141.2	179.7	-49.9	-58	0	0	0	111	E268 L269 T270 L271 K449 N450	E268-N425 PolarHBondContact OE2-ND2 2.84Å; L269-N425 PolarHBondContact O-N 2.95Å; T270-N425 WeakPolarHBondContact CA-O 3.45Å; T270-N425 HydrophobicContact CG2-CB 4.09Å; T270-N425 PolarHBondContact OG1-ND2 2.84Å; T270-N425 VanDerWaalsContact OG1-ND2 3.14Å; L271-N425 PolarHBondContact N-O 2.87Å; N425-K449 CarbonylContact C-O 3.52Å; N425-K449 VanDerWaalsContact CA-O 3.24Å; N425-K449 WeakPolarHBondContact CA-O 3.4Å; N425-N450 PolarHBondContact OD1-OD1 3.13Å
426	I	92	Very high	76.1	Confident	5 Å²	5	58.4 Å²	58.4	3%	0.026	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	111.9	171.5	-59.5	172.1	0	0	0	108.2	L271 T273 A420 A423 W448 K449	L271-I426 HydrophobicContact CB-CG1 4.49Å; L271-I426 CarbonylContact O-C 3.51Å; L271-I426 WeakPolarHBondContact O-CA 3.45Å; T273-I426 HydrophobicContact CG2-CG2 4.21Å; A420-I426 HydrophobicContact CB-CD1 3.76Å; A423-I426 HydrophobicContact CB-CG1 4.24Å; I426-W448 HydrophobicContact CB-CB 4.2Å; I426-W448 HydrophobicContact CG2-CB 4.04Å; I426-W448 PolarHBondContact O-N 3.03Å; I426-K449 HydrophobicContact CB-CB 3.82Å; I426-K449 HydrophobicContact CD1-CB 3.83Å; I426-K449 HydrophobicContact CD1-CD 3.93Å; I426-K449 HydrophobicContact CG1-CB 3.74Å; I426-K449 HydrophobicContact CG1-CD 4.2Å; I426-K449 PolarHBondContact N-O 3.4Å; I426-K449 PolarHBondContact O-N 3.15Å
427	L	93.4	Very high	76.2	Confident	3 Å²	3	68.4 Å²	68.4	2%	0.016	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	136.9	176.7	-52	178.1	0	0	0	108.7	L261 T270 L271 L272 T273 F445 Q446 I447	L261-L427 HydrophobicContact CD1-CD2 4.15Å; L261-L427 HydrophobicContact CD2-CD2 4.36Å; T270-L427 HydrophobicContact CG2-CD1 3.48Å; T270-L427 VanDerWaalsContact CG2-CD1 3.48Å; T270-L427 HydrophobicContact CG2-CG 3.78Å; L271-L427 PolarHBondContact O-N 3.38Å; L272-L427 CarbonylContact C-O 3.59Å; L272-L427 WeakPolarHBondContact CA-O 3.45Å; L272-L427 HydrophobicContact CD1-CB 3.84Å; T273-L427 PolarHBondContact N-O 2.83Å; L427-F445 HydrophobicContact CB-CE2 4.42Å; L427-F445 HydrophobicContact CB-CZ 3.88Å; L427-F445 HydrophobicContact CD1-CZ 4.06Å; L427-F445 HydrophobicContact CD2-CE1 4.18Å; L427-F445 HydrophobicContact CD2-CZ 4.03Å; L427-F445 HydrophobicContact CG-CZ 4.19Å; L427-Q446 CarbonylContact C-O 3.4Å; L427-Q446 WeakPolarHBondContact CA-O 3.41Å; L427-I447 HydrophobicContact CD2-CG1 3.87Å; L427-I447 HydrophobicContact CD2-CG2 4.38Å
428	R	91.6	Very high	76.3	Confident	39 Å²	39	65.3 Å²	65.3	15%	0.147	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	131.9	179.7	176.2	-175	-179.9	96.1	-8.4	111.8	T273 S412 Q446 W448	T273-R428 HydrophobicContact CG2-CB 3.95Å; T273-R428 HydrophobicContact CG2-CG 4.19Å; T273-R428 VanDerWaalsContact O-CA 3.28Å; T273-R428 WeakPolarHBondContact O-CA 3.27Å; S412-R428 VanDerWaalsContact OG-CZ 3.28Å; S412-R428 PolarHBondContact OG-NH1 3.4Å; S412-R428 PolarHBondContact OG-NH2 3.22Å; R428-Q446 HydrophobicContact CB-CB 4.23Å; R428-Q446 PolarHBondContact N-O 3.05Å; R428-Q446 PolarHBondContact O-N 3.27Å; R428-W448 HydrophobicContact CB-CD2 4.21Å; R428-W448 HydrophobicContact CB-CE3 4.46Å; R428-W448 HydrophobicContact CB-CG 4.47Å; R428-W448 VanDerWaalsContact NE-CH2 3.3Å; R428-W448 VanDerWaalsContact NE-CZ2 3.34Å; R428-W448 VanDerWaalsContact NH1-CZ3 3.25Å
429	I	92.4	Very high	76.3	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	123.5	163.3	-57.2	171.5	0	0	0	107.9	L272 T273 G274 P275 C278 K280 F283 F445 M464	L272-I429 HydrophobicContact CD1-CD1 4.35Å; L272-I429 HydrophobicContact CD1-CG1 4.28Å; T273-I429 PolarHBondContact O-N 2.64Å; G274-I429 WeakPolarHBondContact CA-O 3.42Å; P275-I429 WeakPolarHBondContact CD-O 3.45Å; C278-I429 HydrophobicContact CB-CG2 3.96Å; K280-I429 HydrophobicContact CG-CD1 4.17Å; F283-I429 HydrophobicContact CB-CD1 4.27Å; F283-I429 HydrophobicContact CG-CD1 4.46Å; I429-F445 HydrophobicContact CG1-CD2 4.2Å; I429-M464 HydrophobicContact CB-SD 4.41Å; I429-M464 HydrophobicContact CD1-CE 3.58Å; I429-M464 HydrophobicContact CD1-SD 3.77Å; I429-M464 HydrophobicContact CG1-CE 4.22Å; I429-M464 HydrophobicContact CG1-SD 3.78Å; I429-M464 HydrophobicContact CG2-SD 3.79Å
430	S	89	Confident	76.7	Confident	4 Å²	4	79.3 Å²	79.3	3%	0.028	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	153.9	176.2	61.2	0	0	0	0	110.4	K443 Y444	S430-K443 CarbonylContact O-C 3.45Å; S430-K443 VanDerWaalsContact O-CA 3.25Å; S430-K443 WeakPolarHBondContact O-CA 3.24Å; S430-Y444 PolarHBondContact N-O 3.27Å; S430-Y444 PolarHBondContact O-N 2.62Å; S430-Y444 PolarHBondContact OG-O 3.39Å
431	T	85.6	Confident	77.2	Confident	52 Å²	52	83.3 Å²	83.3	32%	0.319	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	127.2	-179.3	57	0	0	0	0	108.9	P275 C278 E442 K443	P275-T431 HydrophobicContact CG-CG2 4.31Å; C278-T431 HydrophobicContact CB-CG2 3.81Å; T431-E442 CarbonylContact C-O 3.58Å; T431-E442 WeakPolarHBondContact CA-O 3.17Å; T431-K443 HydrophobicContact CG2-CG 4.13Å
432	H	81.8	Confident	77.8	Confident	71 Å²	71	77.2 Å²	77.2	33%	0.329	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	134.4	-179.2	-74.9	-95.5	0	0	0	109.8	E442 Y444 Y460	H432-E442 PolarHBondContact N-O 3.47Å; H432-E442 PolarHBondContact O-N 2.92Å; H432-Y444 HydrophobicContact CB-CE2 4.2Å; H432-Y460 AromaticContact CD2-CE1 3.47Å; H432-Y460 VanDerWaalsContact CD2-CE1 3.47Å; H432-Y460 WeakPolarHBondContact CD2-CE1 3.24Å; H432-Y460 AromaticContact CD2-CZ 3.97Å; H432-Y460 AromaticContact CE1-CE1 3.74Å; H432-Y460 AromaticContact CE1-CZ 3.4Å; H432-Y460 VanDerWaalsContact CE1-CZ 3.4Å; H432-Y460 PolarHBondContact CE1-OH 3.3Å; H432-Y460 AromaticContact NE2-CE1 3.02Å; H432-Y460 WeakPolarHBondContact NE2-CE1 3.24Å; H432-Y460 AromaticContact NE2-CZ 3.15Å; H432-Y460 PolarHBondContact NE2-OH 3Å
433	M	73	Confident	78.1	Confident	146 Å²	146	77.4 Å²	77.4	72%	0.719	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.6	123.1	170	-71.2	178.6	174.7	0	0	108.6	L441	M433-L441 HydrophobicContact CE-CD2 3.96Å; M433-L441 HydrophobicContact CG-CD2 3.42Å; M433-L441 VanDerWaalsContact CG-CD2 3.42Å
434	T	65.8	Low	78.3	Confident	46 Å²	46	78 Å²	78	28%	0.282	36%	0.359	S	S	.	.			trans	-82.1	131.2	177.1	-38.9	0	0	0	0	108.9	R436 E442	T434-R436 HydrophobicContact CG2-CB 4.39Å; T434-R436 PolarHBondContact O-N 3.28Å; T434-R436 VanDerWaalsContact O-N 3.15Å; T434-E442 WeakPolarHBondContact OG1-CG 3.37Å; T434-E442 PolarHBondContact OG1-OE1 2.92Å
435	K	59.6	Low	78.5	Confident	216 Å²	216	77.8 Å²	77.8	94%	0.939	36%	0.357	S	S	*	.	S	Bend	trans	-74.4	4.5	179.7	-68.6	-173.2	177	-176.2	0	113.7
436	R	57.3	Low	78.4	Confident	211 Å²	211	77.9 Å²	77.9	80%	0.796	36%	0.357	S	S	*	.	S	Bend	trans	-108.9	98.9	-169.9	-70.9	-174.7	174.9	-179.8	-2.6	110.1	T434 S438	T434-R436 HydrophobicContact CG2-CB 4.39Å; T434-R436 PolarHBondContact O-N 3.28Å; T434-R436 VanDerWaalsContact O-N 3.15Å; R436-S438 VanDerWaalsContact C-N 3.28Å; R436-S438 PolarHBondContact O-N 2.9Å
437	Q	53.8	Low	78.4	Confident	212 Å²	212	77.6 Å²	77.6	99%	0.991	36%	0.356	S	S	*	.	S	Bend	trans	65.3	-10.2	157.4	-65.2	-179.9	-15.1	0	0	119.9
438	S	54.4	Low	78.2	Confident	49 Å²	49	79 Å²	79	34%	0.343	36%	0.361	S	S	.	.	S	Bend	trans	-145.2	148.5	167.8	55.1	0	0	0	0	111	R436 E440	R436-S438 VanDerWaalsContact C-N 3.28Å; R436-S438 PolarHBondContact O-N 2.9Å; S438-E440 WeakPolarHBondContact CB-OE1 3.48Å; S438-E440 PolarHBondContact O-N 3.36Å; S438-E440 WeakPolarHBondContact OG-CG 3.4Å; S438-E440 PolarHBondContact OG-OE1 3.27Å
439	Y	58.5	Low	78.1	Confident	234 Å²	234	79.4 Å²	79.4	92%	0.918	36%	0.364	S	S	*	.			trans	-72.8	50.1	173.1	-68.5	-86.3	0	0	0	111
440	E	66.1	Low	77.9	Confident	126 Å²	126	80.3 Å²	80.3	59%	0.589	37%	0.369	S	S	*	.			trans	-88.5	132.8	178.9	-77	173.1	-137.7	0	0	110.4	S438	S438-E440 WeakPolarHBondContact CB-OE1 3.48Å; S438-E440 PolarHBondContact O-N 3.36Å; S438-E440 WeakPolarHBondContact OG-CG 3.4Å; S438-E440 PolarHBondContact OG-OE1 3.27Å
441	L	76.7	Confident	77.8	Confident	103 Å²	103	85.7 Å²	85.7	54%	0.539	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	105.1	177.5	-75.2	167	0	0	0	108.8	M433	M433-L441 HydrophobicContact CE-CD2 3.96Å; M433-L441 HydrophobicContact CG-CD2 3.42Å; M433-L441 VanDerWaalsContact CG-CD2 3.42Å
442	E	86.3	Confident	77.5	Confident	55 Å²	55	86.2 Å²	86.2	26%	0.257	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	131.6	171.6	-71.2	175.2	-158	0	0	109.7	T431 H432 T434 Y444 R478	T431-E442 CarbonylContact C-O 3.58Å; T431-E442 WeakPolarHBondContact CA-O 3.17Å; H432-E442 PolarHBondContact N-O 3.47Å; H432-E442 PolarHBondContact O-N 2.92Å; T434-E442 WeakPolarHBondContact OG1-CG 3.37Å; T434-E442 PolarHBondContact OG1-OE1 2.92Å; E442-Y444 HydrophobicContact CB-CD2 4.47Å; E442-Y444 HydrophobicContact CB-CE2 3.69Å; E442-Y444 PolarHBondContact OE2-OH 3.44Å; E442-R478 IonicContact OE2-NH2 3.64Å; E442-R478 PolarHBondContact OE2-NH2 3.27Å
443	K	91.1	Very high	77	Confident	46 Å²	46	86.2 Å²	86.2	20%	0.2	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	141.2	173.6	-49	-174.2	-177.8	175.6	0	110.2	C278 S430 T431 M464	C278-K443 WeakPolarHBondContact O-CE 3.43Å; C278-K443 PolarHBondContact O-NZ 2.76Å; S430-K443 CarbonylContact O-C 3.45Å; S430-K443 VanDerWaalsContact O-CA 3.25Å; S430-K443 WeakPolarHBondContact O-CA 3.24Å; T431-K443 HydrophobicContact CG2-CG 4.13Å; K443-M464 HydrophobicContact CB-CB 4.03Å; K443-M464 WeakPolarHBondContact CB-O 3.38Å; K443-M464 PolarHBondContact O-N 2.86Å
444	Y	92.7	Very high	77.2	Confident	13 Å²	13	80.3 Å²	80.3	5%	0.051	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	140.7	177.8	-63	-90.9	0	0	0	111.2	S430 H432 E442 Y460 I462 E463 R478	S430-Y444 PolarHBondContact N-O 3.27Å; S430-Y444 PolarHBondContact O-N 2.62Å; S430-Y444 PolarHBondContact OG-O 3.39Å; H432-Y444 HydrophobicContact CB-CE2 4.2Å; E442-Y444 HydrophobicContact CB-CD2 4.47Å; E442-Y444 HydrophobicContact CB-CE2 3.69Å; E442-Y444 PolarHBondContact OE2-OH 3.44Å; Y444-Y460 HydrophobicContact CD1-CD1 4.18Å; Y444-Y460 HydrophobicContact CD1-CG 4.41Å; Y444-Y460 AromaticContact CD2-CD1 3.73Å; Y444-Y460 HydrophobicContact CD2-CD1 3.73Å; Y444-Y460 HydrophobicContact CD2-CE1 4.49Å; Y444-Y460 HydrophobicContact CD2-CG 4.42Å; Y444-Y460 WeakPolarHBondContact CE1-O 3.22Å; Y444-Y460 HydrophobicContact CE2-CD1 4.32Å; Y444-Y460 AromaticContact CG-CD1 3.63Å; Y444-Y460 HydrophobicContact CG-CD1 3.63Å; Y444-Y460 HydrophobicContact CG-CG 4.28Å; Y444-I462 VanDerWaalsContact CA-O 3.29Å; Y444-I462 WeakPolarHBondContact CA-O 3.34Å; Y444-E463 HydrophobicContact CD1-CG 4.09Å; Y444-E463 HydrophobicContact CE1-CG 3.77Å; Y444-R478 PolarHBondContact OH-NH1 2.88Å; Y444-R478 PolarHBondContact OH-NH2 2.91Å
445	F	94.3	Very high	78.1	Confident	0 Å²	0	83.8 Å²	83.8	0%	0	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	134	176.2	-167.3	-88.1	0	0	0	110.5	L257 F283 L427 I429 I447 L457 I462 L475	L257-F445 HydrophobicContact CD2-CD1 4.1Å; L257-F445 HydrophobicContact CD2-CE1 3.4Å; L257-F445 VanDerWaalsContact CD2-CE1 3.4Å; L257-F445 HydrophobicContact CD2-CZ 3.89Å; F283-F445 AromaticContact CE1-CE2 3.89Å; F283-F445 HydrophobicContact CE1-CE2 3.89Å; F283-F445 HydrophobicContact CE1-CZ 4.46Å; F283-F445 HydrophobicContact CE2-CE2 4.14Å; F283-F445 HydrophobicContact CZ-CD2 4.45Å; F283-F445 AromaticContact CZ-CE2 3.61Å; F283-F445 HydrophobicContact CZ-CE2 3.61Å; F283-F445 HydrophobicContact CZ-CZ 4.09Å; L427-F445 HydrophobicContact CB-CE2 4.42Å; L427-F445 HydrophobicContact CB-CZ 3.88Å; L427-F445 HydrophobicContact CD1-CZ 4.06Å; L427-F445 HydrophobicContact CD2-CE1 4.18Å; L427-F445 HydrophobicContact CD2-CZ 4.03Å; L427-F445 HydrophobicContact CG-CZ 4.19Å; I429-F445 HydrophobicContact CG1-CD2 4.2Å; F445-I447 HydrophobicContact CE1-CD1 4.49Å; F445-I447 HydrophobicContact CE1-CG1 3.99Å; F445-L457 WeakPolarHBondContact O-CD2 3.21Å; F445-I462 HydrophobicContact CB-CB 4.32Å; F445-I462 HydrophobicContact CB-CG2 3.96Å; F445-I462 PolarHBondContact N-O 3.22Å; F445-L475 HydrophobicContact CB-CD2 3.78Å; F445-L475 HydrophobicContact CD1-CD1 4.48Å; F445-L475 HydrophobicContact CD2-CD2 4.25Å; F445-L475 HydrophobicContact CG-CD1 4.35Å; F445-L475 HydrophobicContact CG-CD2 4.09Å
446	Q	92	Very high	79.5	Confident	4 Å²	4	78.1 Å²	78.1	2%	0.019	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	149.6	-174.2	-64	-178.7	-41.4	0	0	110.7	L427 R428 W448 L457 L458	L427-Q446 CarbonylContact C-O 3.4Å; L427-Q446 WeakPolarHBondContact CA-O 3.41Å; R428-Q446 HydrophobicContact CB-CB 4.23Å; R428-Q446 PolarHBondContact N-O 3.05Å; R428-Q446 PolarHBondContact O-N 3.27Å; Q446-W448 VanDerWaalsContact OE1-NE1 3.11Å; Q446-L457 CarbonylContact C-O 3.59Å; Q446-L457 VanDerWaalsContact CA-O 3.26Å; Q446-L457 WeakPolarHBondContact CA-O 3.46Å; Q446-L457 VanDerWaalsContact CB-O 3.3Å; Q446-L457 WeakPolarHBondContact CB-O 3.36Å; Q446-L458 PolarHBondContact NE2-O 3.24Å
447	I	91.6	Very high	80.9	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	101.1	176.4	-58.5	169.4	0	0	0	106.9	Y260 L261 L427 F445 N450 L457	Y260-I447 HydrophobicContact CD1-CD1 4.45Å; Y260-I447 HydrophobicContact CD2-CD1 4.37Å; Y260-I447 HydrophobicContact CG-CD1 3.81Å; L261-I447 HydrophobicContact CD2-CD1 4.16Å; L261-I447 HydrophobicContact CD2-CG2 4.04Å; L261-I447 HydrophobicContact CG-CD1 4.23Å; L427-I447 HydrophobicContact CD2-CG1 3.87Å; L427-I447 HydrophobicContact CD2-CG2 4.38Å; F445-I447 HydrophobicContact CE1-CD1 4.49Å; F445-I447 HydrophobicContact CE1-CG1 3.99Å; I447-N450 HydrophobicContact CG2-CB 4.47Å; I447-L457 HydrophobicContact CB-CB 3.96Å; I447-L457 HydrophobicContact CD1-CB 4.37Å; I447-L457 HydrophobicContact CG1-CB 4.22Å; I447-L457 PolarHBondContact N-O 2.79Å; I447-L457 CarbonylContact O-C 3.36Å; I447-L457 PolarHBondContact O-N 2.85Å
448	W	89.1	Confident	82.4	Confident	33 Å²	33	62.2 Å²	62.2	13%	0.125	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	-21.3	-173.6	-77.8	11.8	0	0	0	113.4	I410 S412 L413 I426 R428 Q446 L458	I410-W448 HydrophobicContact CB-CE3 4.38Å; I410-W448 HydrophobicContact CB-CH2 4.09Å; I410-W448 HydrophobicContact CB-CZ3 4.01Å; I410-W448 HydrophobicContact CD1-CB 4.11Å; I410-W448 HydrophobicContact CD1-CD2 3.57Å; I410-W448 HydrophobicContact CD1-CE3 3.52Å; I410-W448 HydrophobicContact CD1-CG 3.95Å; I410-W448 HydrophobicContact CD1-CH2 4.45Å; I410-W448 HydrophobicContact CD1-CZ3 4.05Å; I410-W448 HydrophobicContact CG1-CD2 4.03Å; I410-W448 HydrophobicContact CG1-CE3 3.91Å; I410-W448 HydrophobicContact CG1-CH2 3.91Å; I410-W448 HydrophobicContact CG1-CZ2 4.06Å; I410-W448 HydrophobicContact CG1-CZ3 3.93Å; I410-W448 HydrophobicContact CG2-CD2 4.44Å; I410-W448 HydrophobicContact CG2-CE3 3.54Å; I410-W448 HydrophobicContact CG2-CH2 3.25Å; I410-W448 HydrophobicContact CG2-CZ2 4.22Å; I410-W448 HydrophobicContact CG2-CZ3 2.9Å; S412-W448 WeakPolarHBondContact OG-CH2 3.42Å; L413-W448 HydrophobicContact CD1-CE3 3.88Å; L413-W448 HydrophobicContact CD1-CZ3 4.17Å; L413-W448 HydrophobicContact CD2-CE3 4.49Å; L413-W448 HydrophobicContact CG-CE3 4.12Å; L413-W448 HydrophobicContact CG-CZ3 3.99Å; I426-W448 HydrophobicContact CB-CB 4.2Å; I426-W448 HydrophobicContact CG2-CB 4.04Å; I426-W448 PolarHBondContact O-N 3.03Å; R428-W448 HydrophobicContact CB-CD2 4.21Å; R428-W448 HydrophobicContact CB-CE3 4.46Å; R428-W448 HydrophobicContact CB-CG 4.47Å; R428-W448 VanDerWaalsContact NE-CH2 3.3Å; R428-W448 VanDerWaalsContact NE-CZ2 3.34Å; R428-W448 VanDerWaalsContact NH1-CZ3 3.25Å; Q446-W448 VanDerWaalsContact OE1-NE1 3.11Å; W448-L458 HydrophobicContact CB-CD2 4.37Å; W448-L458 HydrophobicContact CG-CD2 4.13Å
449	K	89.2	Confident	83.7	Confident	46 Å²	46	61.4 Å²	61.4	20%	0.2	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	139.9	174.5	-172.1	179.4	-176.9	-175.4	0	109.2	A420 Y421 A423 N425 I426	A420-K449 PolarHBondContact O-NZ 3.5Å; Y421-K449 PolarHBondContact O-NZ 2.94Å; A423-K449 WeakPolarHBondContact O-CE 3.37Å; A423-K449 PolarHBondContact O-NZ 2.85Å; N425-K449 CarbonylContact C-O 3.52Å; N425-K449 VanDerWaalsContact CA-O 3.24Å; N425-K449 WeakPolarHBondContact CA-O 3.4Å; I426-K449 HydrophobicContact CB-CB 3.82Å; I426-K449 HydrophobicContact CD1-CB 3.83Å; I426-K449 HydrophobicContact CD1-CD 3.93Å; I426-K449 HydrophobicContact CG1-CB 3.74Å; I426-K449 HydrophobicContact CG1-CD 4.2Å; I426-K449 PolarHBondContact N-O 3.4Å; I426-K449 PolarHBondContact O-N 3.15Å
450	N	88.8	Confident	84.9	Confident	19 Å²	19	55.4 Å²	55.4	10%	0.102	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	115.7	163.2	-175.8	-16.7	0	0	0	106.2	Y260 R265 D424 N425 I447 N452 G454 L456	Y260-N450 PolarHBondContact O-ND2 2.76Å; R265-N450 PolarHBondContact NH2-OD1 2.82Å; D424-N450 CarbonylContact O-C 3.58Å; D424-N450 WeakPolarHBondContact O-CA 3.49Å; N425-N450 PolarHBondContact OD1-OD1 3.13Å; I447-N450 HydrophobicContact CG2-CB 4.47Å; N450-N452 VanDerWaalsContact C-N 3.34Å; N450-N452 PolarHBondContact OD1-N 3.27Å; N450-N452 VanDerWaalsContact OD1-N 3.09Å; N450-N452 PolarHBondContact OD1-O 2.91Å; N450-G454 VanDerWaalsContact ND2-CA 3.27Å; N450-G454 WeakPolarHBondContact ND2-CA 3.44Å; N450-L456 HydrophobicContact CB-CD2 4.44Å
451	R	85.7	Confident	85.9	Confident	117 Å²	117	51 Å²	51	44%	0.442	27%	0.265	S	S	.	.	S	Bend	trans	-75.1	-27.6	-177	177.5	173.7	-79.9	143.8	-5.6	112.2	Y421 D422 D424	Y421-R451 PolarHBondContact O-NH2 2.91Å; D422-R451 PolarHBondContact O-NH1 3.45Å; D422-R451 VanDerWaalsContact O-NH1 3.1Å; D424-R451 HydrophobicContact CB-CB 4.09Å; D424-R451 PolarHBondContact O-N 2.94Å; D424-R451 WeakPolarHBondContact OD1-CD 3.29Å; D424-R451 IonicContact OD1-CZ 3.81Å; D424-R451 IonicContact OD1-NE 2.64Å; D424-R451 IonicContact OD1-NH1 3.6Å; D424-R451 PolarHBondContact OD1-NH1 3.34Å
452	N	80.4	Confident	86.6	Confident	63 Å²	63	46 Å²	46	34%	0.337	24%	0.24	S	C	.	.	S	Bend	trans	-100.5	-167.5	-175.3	-74.2	-17.6	0	0	0	110.8	E268 N450 G454	E268-N452 PolarHBondContact OE1-ND2 3.43Å; N450-N452 VanDerWaalsContact C-N 3.34Å; N450-N452 PolarHBondContact OD1-N 3.27Å; N450-N452 VanDerWaalsContact OD1-N 3.09Å; N450-N452 PolarHBondContact OD1-O 2.91Å; N452-G454 PolarHBondContact O-N 3.14Å
453	A	71.5	Confident	87	Confident	72 Å²	72	45.1 Å²	45.1	60%	0.595	24%	0.235	S	C	*	.	S	Bend	trans	-67.5	27.8	-166.4	0	0	0	0	0	117.5	K262	K262-A453 WeakPolarHBondContact CG-O 3.39Å
454	G	75.3	Confident	87.1	Confident	22 Å²	22	43.1 Å²	43.1	23%	0.227	23%	0.227	C	C	.	.			trans	-105	-176	177.2	0	0	0	0	0	114.1	Y260 N450 N452	Y260-G454 CarbonylContact O-C 3.43Å; Y260-G454 WeakPolarHBondContact O-CA 3.46Å; N450-G454 VanDerWaalsContact ND2-CA 3.27Å; N450-G454 WeakPolarHBondContact ND2-CA 3.44Å; N452-G454 PolarHBondContact O-N 3.14Å
455	E	85.4	Confident	87.1	Confident	119 Å²	119	46.6 Å²	46.6	56%	0.556	24%	0.244	S	C	*	.			trans	-109.9	147.5	-173.5	-68.1	-176.2	-172.3	0	0	111.7	Y260	Y260-E455 HydrophobicContact CD1-CB 3.97Å; Y260-E455 PolarHBondContact O-N 3.32Å
456	L	88.6	Confident	87	Confident	96 Å²	96	50.5 Å²	50.5	50%	0.503	26%	0.261	S	S	.	.			trans	-82.1	142.1	173.8	-60.7	-178.9	0	0	0	110.6	N450 L458	N450-L456 HydrophobicContact CB-CD2 4.44Å; L456-L458 HydrophobicContact CB-CG 4.4Å
457	L	88	Confident	86.9	Confident	10 Å²	10	53.6 Å²	53.6	5%	0.052	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	83	174.9	-177.4	73.4	0	0	0	109.3	Y260 F445 Q446 I447 V461 I462	Y260-L457 HydrophobicContact CD1-CB 4.19Å; Y260-L457 HydrophobicContact CE1-CB 4.16Å; Y260-L457 HydrophobicContact CE1-CD1 3.96Å; F445-L457 WeakPolarHBondContact O-CD2 3.21Å; Q446-L457 CarbonylContact C-O 3.59Å; Q446-L457 VanDerWaalsContact CA-O 3.26Å; Q446-L457 WeakPolarHBondContact CA-O 3.46Å; Q446-L457 VanDerWaalsContact CB-O 3.3Å; Q446-L457 WeakPolarHBondContact CB-O 3.36Å; I447-L457 HydrophobicContact CB-CB 3.96Å; I447-L457 HydrophobicContact CD1-CB 4.37Å; I447-L457 HydrophobicContact CG1-CB 4.22Å; I447-L457 PolarHBondContact N-O 2.79Å; I447-L457 CarbonylContact O-C 3.36Å; I447-L457 PolarHBondContact O-N 2.85Å; L457-V461 HydrophobicContact CD1-CB 4.05Å; L457-V461 HydrophobicContact CD1-CG2 4.13Å; L457-I462 HydrophobicContact CD2-CB 3.99Å; L457-I462 HydrophobicContact CD2-CD1 3.23Å; L457-I462 HydrophobicContact CD2-CG1 3.48Å; L457-I462 VanDerWaalsContact CD2-CG1 3.48Å
458	L	83.9	Confident	86.8	Confident	79 Å²	79	58.1 Å²	58.1	41%	0.414	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	-19.8	-179.8	-56.4	-177.4	0	0	0	112.9	Q446 W448 L456	Q446-L458 PolarHBondContact NE2-O 3.24Å; W448-L458 HydrophobicContact CB-CD2 4.37Å; W448-L458 HydrophobicContact CG-CD2 4.13Å; L456-L458 HydrophobicContact CB-CG 4.4Å
459	G	81.6	Confident	86.7	Confident	33 Å²	33	63.4 Å²	63.4	34%	0.34	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	169.8	-179.2	0	0	0	0	0	113.8	V461	G459-V461 PolarHBondContact O-N 2.85Å
460	Y	83.6	Confident	86.5	Confident	108 Å²	108	62 Å²	62	42%	0.424	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	57	173.9	-59.2	-69.4	0	0	0	110.9	H432 Y444	H432-Y460 AromaticContact CD2-CE1 3.47Å; H432-Y460 VanDerWaalsContact CD2-CE1 3.47Å; H432-Y460 WeakPolarHBondContact CD2-CE1 3.24Å; H432-Y460 AromaticContact CD2-CZ 3.97Å; H432-Y460 AromaticContact CE1-CE1 3.74Å; H432-Y460 AromaticContact CE1-CZ 3.4Å; H432-Y460 VanDerWaalsContact CE1-CZ 3.4Å; H432-Y460 PolarHBondContact CE1-OH 3.3Å; H432-Y460 AromaticContact NE2-CE1 3.02Å; H432-Y460 WeakPolarHBondContact NE2-CE1 3.24Å; H432-Y460 AromaticContact NE2-CZ 3.15Å; H432-Y460 PolarHBondContact NE2-OH 3Å; Y444-Y460 HydrophobicContact CD1-CD1 4.18Å; Y444-Y460 HydrophobicContact CD1-CG 4.41Å; Y444-Y460 AromaticContact CD2-CD1 3.73Å; Y444-Y460 HydrophobicContact CD2-CD1 3.73Å; Y444-Y460 HydrophobicContact CD2-CE1 4.49Å; Y444-Y460 HydrophobicContact CD2-CG 4.42Å; Y444-Y460 WeakPolarHBondContact CE1-O 3.22Å; Y444-Y460 HydrophobicContact CE2-CD1 4.32Å; Y444-Y460 AromaticContact CG-CD1 3.63Å; Y444-Y460 HydrophobicContact CG-CD1 3.63Å; Y444-Y460 HydrophobicContact CG-CG 4.28Å
461	V	87.9	Confident	86.6	Confident	32 Å²	32	64.5 Å²	64.5	19%	0.194	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	-39.4	-174.7	-168	0	0	0	0	111.4	L457 G459 E477 R478	L457-V461 HydrophobicContact CD1-CB 4.05Å; L457-V461 HydrophobicContact CD1-CG2 4.13Å; G459-V461 PolarHBondContact O-N 2.85Å; V461-E477 HydrophobicContact CG1-CG 3.86Å; V461-R478 PolarHBondContact O-N 3.26Å
462	I	92.5	Very high	86.8	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	111.8	177.3	-60.2	-177.8	0	0	0	109.1	L256 Y260 Y444 F445 L457 L475 V476	L256-I462 HydrophobicContact CD2-CB 4.5Å; L256-I462 HydrophobicContact CD2-CD1 3.47Å; L256-I462 VanDerWaalsContact CD2-CD1 3.47Å; L256-I462 HydrophobicContact CD2-CG1 3.77Å; L256-I462 HydrophobicContact CD2-CG2 3.95Å; L256-I462 HydrophobicContact CG-CD1 3.8Å; Y260-I462 HydrophobicContact CD2-CD1 4.34Å; Y260-I462 HydrophobicContact CE2-CD1 3.84Å; Y444-I462 VanDerWaalsContact CA-O 3.29Å; Y444-I462 WeakPolarHBondContact CA-O 3.34Å; F445-I462 HydrophobicContact CB-CB 4.32Å; F445-I462 HydrophobicContact CB-CG2 3.96Å; F445-I462 PolarHBondContact N-O 3.22Å; L457-I462 HydrophobicContact CD2-CB 3.99Å; L457-I462 HydrophobicContact CD2-CD1 3.23Å; L457-I462 HydrophobicContact CD2-CG1 3.48Å; L457-I462 VanDerWaalsContact CD2-CG1 3.48Å; I462-L475 HydrophobicContact CG2-CB 3.77Å; I462-L475 HydrophobicContact CG2-CD2 3.99Å; I462-L475 HydrophobicContact CG2-CG 4.31Å; I462-V476 CarbonylContact C-O 3.57Å; I462-V476 WeakPolarHBondContact CA-O 3.4Å
463	E	92.7	Very high	87.4	Confident	35 Å²	35	57.2 Å²	57.2	16%	0.164	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	141.5	169.2	-70	177.7	126.3	0	0	110.1	Y444 L475 V476 R478	Y444-E463 HydrophobicContact CD1-CG 4.09Å; Y444-E463 HydrophobicContact CE1-CG 3.77Å; E463-L475 WeakPolarHBondContact O-CA 3.25Å; E463-V476 PolarHBondContact N-O 3.48Å; E463-V476 PolarHBondContact O-N 3.39Å; E463-R478 HydrophobicContact CG-CG 4.03Å; E463-R478 IonicContact OE1-CZ 3.09Å; E463-R478 IonicContact OE1-NE 3.64Å; E463-R478 PolarHBondContact OE1-NE 3.49Å; E463-R478 IonicContact OE1-NH2 3.08Å; E463-R478 PolarHBondContact OE1-NH2 3.4Å; E463-R478 VanDerWaalsContact OE2-CG 3.28Å; E463-R478 WeakPolarHBondContact OE2-CG 3.33Å; E463-R478 IonicContact OE2-NE 2.72Å; E463-R478 PolarHBondContact OE2-NE 3.45Å
464	M	94	Very high	88.4	Confident	5 Å²	5	56.6 Å²	56.6	3%	0.025	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	107.1	177.3	-178.3	178.1	-170.2	0	0	108.6	F283 I429 K443 H473 S474 L475	F283-M464 HydrophobicContact CB-CE 3.64Å; F283-M464 HydrophobicContact CD2-CE 3.55Å; F283-M464 HydrophobicContact CE2-CE 4.48Å; F283-M464 HydrophobicContact CG-CE 3.8Å; I429-M464 HydrophobicContact CB-SD 4.41Å; I429-M464 HydrophobicContact CD1-CE 3.58Å; I429-M464 HydrophobicContact CD1-SD 3.77Å; I429-M464 HydrophobicContact CG1-CE 4.22Å; I429-M464 HydrophobicContact CG1-SD 3.78Å; I429-M464 HydrophobicContact CG2-SD 3.79Å; K443-M464 HydrophobicContact CB-CB 4.03Å; K443-M464 WeakPolarHBondContact CB-O 3.38Å; K443-M464 PolarHBondContact O-N 2.86Å; M464-H473 HydrophobicContact CE-CB 3.81Å; M464-H473 WeakPolarHBondContact CE-CD2 3.36Å; M464-H473 HydrophobicContact CG-CB 4.4Å; M464-S474 WeakPolarHBondContact CA-O 3.4Å; M464-L475 HydrophobicContact CB-CD2 3.91Å; M464-L475 HydrophobicContact CG-CD2 3.91Å
465	H	92.6	Very high	89.3	Confident	86 Å²	86	56.8 Å²	56.8	40%	0.398	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	146.4	176	-57	-84.8	0	0	0	109.4	H473 S474	H465-H473 CarbonylContact O-C 3.54Å; H465-H473 WeakPolarHBondContact O-CA 3.4Å; H465-S474 PolarHBondContact N-O 2.94Å; H465-S474 PolarHBondContact O-N 3.43Å
466	F	91.9	Very high	89.7	Confident	82 Å²	82	54.3 Å²	54.3	36%	0.36	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	125.2	174.5	174.9	-108.6	0	0	0	108.2	T282 P468 K471 C472 H473	T282-F466 HydrophobicContact CG2-CE2 3.95Å; F466-P468 HydrophobicContact CD1-CG 4.38Å; F466-P468 HydrophobicContact CE1-CB 4.34Å; F466-P468 HydrophobicContact CE1-CG 4.32Å; F466-P468 WeakPolarHBondContact O-CD 3.21Å; F466-K471 HydrophobicContact CE2-CB 4.33Å; F466-K471 HydrophobicContact CZ-CB 4.35Å; F466-C472 WeakPolarHBondContact CA-O 2.99Å; F466-H473 AromaticContact CD2-CD2 3.84Å; F466-H473 AromaticContact CD2-CE1 3.51Å; F466-H473 AromaticContact CD2-NE2 3.42Å; F466-H473 WeakPolarHBondContact CD2-NE2 3.49Å; F466-H473 AromaticContact CE2-CE1 3.99Å
467	D	91	Very high	89.7	Confident	68 Å²	68	54 Å²	54	36%	0.364	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	113.4	172.5	170.9	19.9	0	0	0	109.6	L469 S470 K471 C472	D467-L469 PolarHBondContact O-N 3.16Å; D467-L469 WeakPolarHBondContact OD1-CB 3.5Å; D467-L469 PolarHBondContact OD1-N 2.58Å; D467-S470 WeakPolarHBondContact CB-OG 3.38Å; D467-S470 VanDerWaalsContact CG-OG 3.23Å; D467-S470 VanDerWaalsContact OD2-CB 3.23Å; D467-S470 WeakPolarHBondContact OD2-CB 3.19Å; D467-S470 PolarHBondContact OD2-N 3.2Å; D467-S470 PolarHBondContact OD2-OG 3.12Å; D467-K471 WeakPolarHBondContact O-CA 3.44Å; D467-K471 PolarHBondContact O-N 3.11Å; D467-C472 PolarHBondContact N-O 3.29Å; D467-C472 PolarHBondContact O-N 3.48Å
468	P	88.3	Confident	89.5	Confident	95 Å²	95	58 Å²	58	62%	0.617	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-27.6	179.5	-21.9	34	0	0	0	114.2	F466	F466-P468 HydrophobicContact CD1-CG 4.38Å; F466-P468 HydrophobicContact CE1-CB 4.34Å; F466-P468 HydrophobicContact CE1-CG 4.32Å; F466-P468 WeakPolarHBondContact O-CD 3.21Å
469	L	87.2	Confident	89	Confident	145 Å²	145	63.8 Å²	63.8	76%	0.759	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-41.3	-176.1	-67.2	175.3	0	0	0	112	D467	D467-L469 PolarHBondContact O-N 3.16Å; D467-L469 WeakPolarHBondContact OD1-CB 3.5Å; D467-L469 PolarHBondContact OD1-N 2.58Å
470	S	85.9	Confident	87.8	Confident	17 Å²	17	73.1 Å²	73.1	12%	0.119	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-10.1	176.2	63.3	0	0	0	0	113.8	D467 C472	D467-S470 WeakPolarHBondContact CB-OG 3.38Å; D467-S470 VanDerWaalsContact CG-OG 3.23Å; D467-S470 VanDerWaalsContact OD2-CB 3.23Å; D467-S470 WeakPolarHBondContact OD2-CB 3.19Å; D467-S470 PolarHBondContact OD2-N 3.2Å; D467-S470 PolarHBondContact OD2-OG 3.12Å; S470-C472 PolarHBondContact O-N 2.95Å; S470-C472 VanDerWaalsContact O-N 3.14Å; S470-C472 PolarHBondContact O-SG 3.49Å; S470-C472 WeakPolarHBondContact OG-CB 3.35Å; S470-C472 PolarHBondContact OG-N 3.06Å
471	K	89.7	Confident	85.8	Confident	71 Å²	71	77.5 Å²	77.5	31%	0.309	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	26.3	-167.9	-57.9	-179.9	-177.3	163.7	0	112.7	T282 E316 Q317 F466 D467	T282-K471 WeakPolarHBondContact CG2-O 3.3Å; E316-K471 IonicContact OE1-NZ 2.91Å; E316-K471 PolarHBondContact OE1-NZ 2.92Å; E316-K471 WeakPolarHBondContact OE2-CD 3.35Å; E316-K471 WeakPolarHBondContact OE2-CE 3.23Å; E316-K471 IonicContact OE2-NZ 3.16Å; E316-K471 PolarHBondContact OE2-NZ 3.5Å; Q317-K471 HydrophobicContact CG-CB 4.28Å; Q317-K471 PolarHBondContact NE2-O 3.36Å; F466-K471 HydrophobicContact CE2-CB 4.33Å; F466-K471 HydrophobicContact CZ-CB 4.35Å; D467-K471 WeakPolarHBondContact O-CA 3.44Å; D467-K471 PolarHBondContact O-N 3.11Å
472	C	91.5	Very high	83.2	Confident	15 Å²	15	81.2 Å²	81.2	10%	0.101	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	155.6	-177.1	-66.5	0	0	0	0	112.4	R253 E286 F466 D467 S470	R253-C472 PolarHBondContact NH2-SG 2.97Å; E286-C472 VanDerWaalsContact CD-CA 3.46Å; E286-C472 WeakPolarHBondContact OE1-CA 3.38Å; E286-C472 VanDerWaalsContact OE2-CA 3.24Å; E286-C472 WeakPolarHBondContact OE2-CA 3.49Å; E286-C472 VanDerWaalsContact OE2-CB 3.24Å; E286-C472 WeakPolarHBondContact OE2-CB 3.3Å; F466-C472 WeakPolarHBondContact CA-O 2.99Å; D467-C472 PolarHBondContact N-O 3.29Å; D467-C472 PolarHBondContact O-N 3.48Å; S470-C472 PolarHBondContact O-N 2.95Å; S470-C472 VanDerWaalsContact O-N 3.14Å; S470-C472 PolarHBondContact O-SG 3.49Å; S470-C472 WeakPolarHBondContact OG-CB 3.35Å; S470-C472 PolarHBondContact OG-N 3.06Å
473	H	93	Very high	80.3	Confident	11 Å²	11	90.5 Å²	90.5	5%	0.051	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	143.4	171.7	-64.2	86.9	0	0	0	111	F283 E286 M464 H465 F466	F283-H473 HydrophobicContact CD2-CB 4.43Å; E286-H473 IonicContact OE1-CE1 3.52Å; E286-H473 IonicContact OE1-CG 2.81Å; E286-H473 PolarHBondContact OE1-N 2.63Å; E286-H473 IonicContact OE1-ND1 3.41Å; E286-H473 PolarHBondContact OE1-ND1 3.36Å; E286-H473 PolarHBondContact OE2-N 3.03Å; M464-H473 HydrophobicContact CE-CB 3.81Å; M464-H473 WeakPolarHBondContact CE-CD2 3.36Å; M464-H473 HydrophobicContact CG-CB 4.4Å; H465-H473 CarbonylContact O-C 3.54Å; H465-H473 WeakPolarHBondContact O-CA 3.4Å; F466-H473 AromaticContact CD2-CD2 3.84Å; F466-H473 AromaticContact CD2-CE1 3.51Å; F466-H473 AromaticContact CD2-NE2 3.42Å; F466-H473 WeakPolarHBondContact CD2-NE2 3.49Å; F466-H473 AromaticContact CE2-CE1 3.99Å
474	S	92.6	Very high	77.5	Confident	60 Å²	60	97.3 Å²	97.3	42%	0.42	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	145.6	167.4	63.5	0	0	0	0	110.3	M464 H465	M464-S474 WeakPolarHBondContact CA-O 3.4Å; H465-S474 PolarHBondContact N-O 2.94Å; H465-S474 PolarHBondContact O-N 3.43Å
475	L	93.7	Very high	74.5	Confident	25 Å²	25	101.9 Å²	101.9	13%	0.131	51%	0.509	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	121.1	177.4	-62.5	-176.9	0	0	0	108.9	F254 L256 L257 F283 F445 I462 E463 M464	F254-L475 HydrophobicContact CB-CD1 4.41Å; F254-L475 HydrophobicContact CD1-CD1 3.74Å; F254-L475 HydrophobicContact CD1-CG 3.88Å; F254-L475 HydrophobicContact CE1-CD1 4.48Å; F254-L475 HydrophobicContact CE1-CG 4.29Å; F254-L475 HydrophobicContact CG-CD1 4.39Å; L256-L475 HydrophobicContact CD2-CB 4.27Å; L257-L475 HydrophobicContact CD2-CD1 4.09Å; L257-L475 HydrophobicContact CG-CD1 4.28Å; F283-L475 HydrophobicContact CE2-CD1 4.48Å; F445-L475 HydrophobicContact CB-CD2 3.78Å; F445-L475 HydrophobicContact CD1-CD1 4.48Å; F445-L475 HydrophobicContact CD2-CD2 4.25Å; F445-L475 HydrophobicContact CG-CD1 4.35Å; F445-L475 HydrophobicContact CG-CD2 4.09Å; I462-L475 HydrophobicContact CG2-CB 3.77Å; I462-L475 HydrophobicContact CG2-CD2 3.99Å; I462-L475 HydrophobicContact CG2-CG 4.31Å; E463-L475 WeakPolarHBondContact O-CA 3.25Å; M464-L475 HydrophobicContact CB-CD2 3.91Å; M464-L475 HydrophobicContact CG-CD2 3.91Å
476	V	92.9	Very high	71.7	Confident	68 Å²	68	107.2 Å²	107.2	41%	0.412	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	126.3	-177.7	-177.4	0	0	0	0	109.4	I462 E463	I462-V476 CarbonylContact C-O 3.57Å; I462-V476 WeakPolarHBondContact CA-O 3.4Å; E463-V476 PolarHBondContact N-O 3.48Å; E463-V476 PolarHBondContact O-N 3.39Å
477	E	90	Very high	68.8	Low	88 Å²	88	110.6 Å²	110.6	41%	0.411	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-83.1	120.5	176.1	-166.4	169.9	-133.1	0	0	110.6	L256 Y260 V461 K479	L256-E477 HydrophobicContact CD1-CB 4.3Å; L256-E477 HydrophobicContact CD2-CB 4.06Å; Y260-E477 PolarHBondContact OH-OE1 2.97Å; V461-E477 HydrophobicContact CG1-CG 3.86Å; E477-K479 PolarHBondContact O-N 3.24Å
478	R	84	Confident	66	Low	94 Å²	94	118.7 Å²	118.7	36%	0.355	60%	0.596	S	S	.	*	P	Polyproline II helix	trans	-66.5	122.2	173.3	-76.3	-176.5	167.9	170	1.1	109.8	E442 Y444 V461 E463 R480	E442-R478 IonicContact OE2-NH2 3.64Å; E442-R478 PolarHBondContact OE2-NH2 3.27Å; Y444-R478 PolarHBondContact OH-NH1 2.88Å; Y444-R478 PolarHBondContact OH-NH2 2.91Å; V461-R478 PolarHBondContact O-N 3.26Å; E463-R478 HydrophobicContact CG-CG 4.03Å; E463-R478 IonicContact OE1-CZ 3.09Å; E463-R478 IonicContact OE1-NE 3.64Å; E463-R478 PolarHBondContact OE1-NE 3.49Å; E463-R478 IonicContact OE1-NH2 3.08Å; E463-R478 PolarHBondContact OE1-NH2 3.4Å; E463-R478 VanDerWaalsContact OE2-CG 3.28Å; E463-R478 WeakPolarHBondContact OE2-CG 3.33Å; E463-R478 IonicContact OE2-NE 2.72Å; E463-R478 PolarHBondContact OE2-NE 3.45Å; R478-R480 PolarHBondContact O-N 3.18Å; R478-R480 VanDerWaalsContact O-N 3.12Å
479	K	72	Confident	64.9	Low	202 Å²	202	119.9 Å²	119.9	88%	0.878	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-58	117.9	168	-68.3	-174	179.2	-178.8	0	108.8	E477 K481	E477-K479 PolarHBondContact O-N 3.24Å; K479-K481 PolarHBondContact O-N 2.98Å
480	R	56.7	Low	63.8	Low	228 Å²	228	118.5 Å²	118.5	86%	0.86	59%	0.587	S	S	*	*			trans	-56.4	113.4	169.3	-81	-178.2	165.9	172.5	-2.4	107.7	R478 S482	R478-R480 PolarHBondContact O-N 3.18Å; R478-R480 VanDerWaalsContact O-N 3.12Å; R480-S482 PolarHBondContact O-N 2.78Å; R480-S482 VanDerWaalsContact O-N 3.08Å
481	K	41.7	Very low	62.5	Low	200 Å²	200	124.2 Å²	124.2	87%	0.87	61%	0.613	S	S	*	*			trans	-58.5	115.6	164.4	-73.5	-171.9	176.6	-174.3	0	106.6	K479 K483	K479-K481 PolarHBondContact O-N 2.98Å; K481-K483 PolarHBondContact O-N 3.43Å
482	S	34.4	Very low	60.9	Low	110 Å²	110	127.3 Å²	127.3	77%	0.769	63%	0.631	S	S	*	*			trans	-58.2	106.9	176.1	48.2	0	0	0	0	108.7	R480 H484	R480-S482 PolarHBondContact O-N 2.78Å; R480-S482 VanDerWaalsContact O-N 3.08Å; S482-H484 PolarHBondContact O-N 3.32Å; S482-H484 VanDerWaalsContact O-N 3.15Å
483	K	30.9	Very low	59	Low	195 Å²	195	134.3 Å²	134.3	85%	0.848	66%	0.664	S	S	*	*			trans	-80.2	81.6	160.4	-79	-173	173.9	-174.9	0	106.8	K481	K481-K483 PolarHBondContact O-N 3.43Å
484	H	32.8	Very low	56.8	Low	179 Å²	179	142.5 Å²	142.5	83%	0.829	71%	0.705	S	S	*	*			trans	-173.5	93.9	154.6	-86.9	-33.1	0	0	0	109.8	S482	S482-H484 PolarHBondContact O-N 3.32Å; S482-H484 VanDerWaalsContact O-N 3.15Å
485	A	33	Very low	54.2	Low	100 Å²	100	148.4 Å²	148.4	83%	0.826	73%	0.725	S	S	*	*			trans	-152.3	71.1	147.4	0	0	0	0	0	105.3
486	F	32.2	Very low	51.2	Low	198 Å²	198	157.9 Å²	157.9	87%	0.868	77%	0.771	S	S	*	*			trans	-119	90.1	156.6	-109.2	-80.7	0	0	0	103.8
487	N	32.3	Very low	47.7	Very low	154 Å²	154	165.4 Å²	165.4	82%	0.824	80%	0.8	S	S	*	*			trans	-147.9	125.6	154.9	-96.4	-4.5	0	0	0	103.1
488	D	32.4	Very low	43.8	Very low	237 Å²	237	172.5 Å²	172.5	100%	1.267	84%	0.836	S	S	*	*			trans	78.4	0	-166.3	-53.7	-19.7	0	0	0	117.2

Retrieved 488 of 488 residues in 174.6 ms (Link to these results)

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