A0A077ZC93_TRITR Loading...

Papilin

AlphaFold DB , UniProt , Accession A0A077ZC93, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 332 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	39.6	Very low	63.8	Low	250 Å²	250	119.4 Å²	119.4	100%	1.232	73%	0.728	S	S	*	*				0	120.5	0	-91.3	-178.1	-98.4	0	0	107.8
2	L	52.1	Low	64.7	Low	180 Å²	180	126.9 Å²	126.9	94%	0.942	74%	0.744	S	S	*	*			trans	-81.5	128.4	168.6	-86.1	146.9	0	0	0	107.7	S4	L2-S4 PolarHBondContact O-N 3.35Å
3	F	66.9	Low	65.3	Low	177 Å²	177	125 Å²	125	78%	0.776	73%	0.728	S	S	*	*			trans	-75	116.5	171	175.1	-101.5	0	0	0	108.6	Y5	F3-Y5 HydrophobicContact CE1-CD2 4.3Å; F3-Y5 HydrophobicContact CE1-CG 4.43Å; F3-Y5 HydrophobicContact CZ-CD2 4.27Å
4	S	65.8	Low	66.3	Low	112 Å²	112	121 Å²	121	78%	0.783	70%	0.703	S	S	*	*			trans	-99.3	109.7	171.7	66.3	0	0	0	0	109.8	L2	L2-S4 PolarHBondContact O-N 3.35Å
5	Y	66.7	Low	67.2	Low	88 Å²	88	115.3 Å²	115.3	35%	0.345	67%	0.666	S	S	.	*			trans	-82.2	120.3	174.5	-178.3	-113	0	0	0	110.5	F3 G7 C8 G10 N14	F3-Y5 HydrophobicContact CE1-CD2 4.3Å; F3-Y5 HydrophobicContact CE1-CG 4.43Å; F3-Y5 HydrophobicContact CZ-CD2 4.27Å; Y5-G7 VanDerWaalsContact C-N 3.28Å; Y5-G7 PolarHBondContact O-N 3.43Å; Y5-C8 VanDerWaalsContact OH-C 3.29Å; Y5-C8 PolarHBondContact OH-N 3.39Å; Y5-C8 PolarHBondContact OH-O 2.83Å; Y5-G10 WeakPolarHBondContact OH-CA 3.48Å; Y5-G10 PolarHBondContact OH-N 3.35Å; Y5-N14 WeakPolarHBondContact CD1-ND2 3.17Å; Y5-N14 WeakPolarHBondContact CE1-ND2 2.89Å
6	S	68.8	Low	67.8	Low	106 Å²	106	119.2 Å²	119.2	74%	0.741	68%	0.676	S	S	*	*			trans	-83.7	9.3	-176.1	55.8	0	0	0	0	115
7	G	65.1	Low	68.6	Low	57 Å²	57	115.8 Å²	115.8	59%	0.588	66%	0.659	S	S	*	*	S	Bend	trans	89.1	-1	171.3	0	0	0	0	0	116.6	Y5	Y5-G7 VanDerWaalsContact C-N 3.28Å; Y5-G7 PolarHBondContact O-N 3.43Å
8	C	75.4	Confident	69.3	Low	94 Å²	94	118.7 Å²	118.7	64%	0.635	66%	0.659	S	S	*	*	S	Bend	trans	-127.6	145.2	179.7	62.5	0	0	0	0	113	Y5 G10	Y5-C8 VanDerWaalsContact OH-C 3.29Å; Y5-C8 PolarHBondContact OH-N 3.39Å; Y5-C8 PolarHBondContact OH-O 2.83Å; C8-G10 PolarHBondContact O-N 2.88Å
9	G	65	Low	69.9	Low	89 Å²	89	119.9 Å²	119.9	92%	0.918	66%	0.659	S	S	*	*	S	Bend	trans	72.3	22.5	172.1	0	0	0	0	0	115.8
10	G	65.1	Low	70.5	Confident	39 Å²	39	117.5 Å²	117.5	40%	0.402	64%	0.643	S	S	.	*			trans	-74.7	146.7	178.2	0	0	0	0	0	111.2	Y5 C8	Y5-G10 WeakPolarHBondContact OH-CA 3.48Å; Y5-G10 PolarHBondContact OH-N 3.35Å; C8-G10 PolarHBondContact O-N 2.88Å
11	N	71.6	Confident	71.1	Confident	121 Å²	121	114 Å²	114	65%	0.647	63%	0.626	S	S	*	*			trans	-84.6	179.3	169.6	63.6	24.5	0	0	0	110.4	N13 N14	N11-N13 PolarHBondContact O-N 3.45Å; N11-N13 WeakPolarHBondContact OD1-CA 3.4Å; N11-N13 VanDerWaalsContact OD1-CB 3.22Å; N11-N13 WeakPolarHBondContact OD1-CB 3.13Å; N11-N13 PolarHBondContact OD1-N 2.95Å; N11-N14 PolarHBondContact O-N 3Å
12	K	74.8	Confident	73.1	Confident	210 Å²	210	105.3 Å²	105.3	91%	0.913	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.8	-2	177.8	-66	-175.9	178.2	179.2	0	114.4
13	N	72.6	Confident	74.3	Confident	102 Å²	102	99.1 Å²	99.1	55%	0.545	56%	0.557	S	S	.	*	T	Hydrogen-bonded Turn	trans	-101.1	26.5	-179.3	-161.6	41.5	0	0	0	112.5	N11 F15 C25	N11-N13 PolarHBondContact O-N 3.45Å; N11-N13 WeakPolarHBondContact OD1-CA 3.4Å; N11-N13 VanDerWaalsContact OD1-CB 3.22Å; N11-N13 WeakPolarHBondContact OD1-CB 3.13Å; N11-N13 PolarHBondContact OD1-N 2.95Å; N13-F15 VanDerWaalsContact C-CE2 3.45Å; N13-F15 WeakPolarHBondContact O-CE2 3.22Å; N13-F15 VanDerWaalsContact OD1-CE2 3.3Å; N13-F15 WeakPolarHBondContact OD1-CE2 3.42Å; N13-C25 PolarHBondContact OD1-SG 3.34Å
14	N	78.6	Confident	74.8	Confident	69 Å²	69	97 Å²	97	37%	0.369	55%	0.548	S	S	.	.			trans	-109	127.4	176.5	-172.5	12	0	0	0	109.7	Y5 N11	Y5-N14 WeakPolarHBondContact CD1-ND2 3.17Å; Y5-N14 WeakPolarHBondContact CE1-ND2 2.89Å; N11-N14 PolarHBondContact O-N 3Å
15	F	79.6	Confident	75.2	Confident	35 Å²	35	93.3 Å²	93.3	15%	0.154	52%	0.522	C	S	.	.			trans	-131.2	145.1	-172.4	-53.2	-76.1	0	0	0	110.4	N13 T17 E20 C21 K24 C25	N13-F15 VanDerWaalsContact C-CE2 3.45Å; N13-F15 WeakPolarHBondContact O-CE2 3.22Å; N13-F15 VanDerWaalsContact OD1-CE2 3.3Å; N13-F15 WeakPolarHBondContact OD1-CE2 3.42Å; F15-T17 VanDerWaalsContact C-N 3.35Å; F15-E20 HydrophobicContact CB-CB 3.88Å; F15-E20 HydrophobicContact CD1-CB 4.25Å; F15-E20 HydrophobicContact CG-CB 4.41Å; F15-C21 HydrophobicContact CB-CB 3.96Å; F15-C21 VanDerWaalsContact CD2-CA 3.44Å; F15-C21 HydrophobicContact CD2-CB 3.43Å; F15-C21 VanDerWaalsContact CD2-CB 3.43Å; F15-C21 HydrophobicContact CE2-CB 4.13Å; F15-C21 VanDerWaalsContact CG-CA 3.49Å; F15-C21 HydrophobicContact CG-CB 3.8Å; F15-K24 HydrophobicContact CD1-CB 4.39Å; F15-K24 HydrophobicContact CD1-CD 3.96Å; F15-K24 HydrophobicContact CE1-CB 3.6Å; F15-K24 HydrophobicContact CE1-CD 3.51Å; F15-K24 HydrophobicContact CE1-CG 4.17Å; F15-K24 HydrophobicContact CZ-CB 4.04Å; F15-C25 WeakPolarHBondContact CE2-SG 3.2Å; F15-C25 WeakPolarHBondContact CZ-SG 3.28Å
16	Q	77.3	Confident	75.3	Confident	178 Å²	178	93.8 Å²	93.8	83%	0.832	53%	0.529	S	S	*	.	S	Bend	trans	-77.4	-25.5	-178.2	-65.3	-173.7	0.6	0	0	112.2	E20	Q16-E20 WeakPolarHBondContact CB-OE2 3.19Å; Q16-E20 PolarHBondContact N-OE2 3.42Å
17	T	82.1	Confident	74.8	Confident	62 Å²	62	94.6 Å²	94.6	38%	0.38	52%	0.524	S	S	.	.	S	Bend	trans	-131.4	158.1	177	72.1	0	0	0	0	111.3	F15 E19 E20 C21	F15-T17 VanDerWaalsContact C-N 3.35Å; T17-E19 VanDerWaalsContact C-N 3.26Å; T17-E19 PolarHBondContact O-N 2.8Å; T17-E20 PolarHBondContact O-N 3.14Å; T17-E20 WeakPolarHBondContact OG1-CG 3.29Å; T17-E20 PolarHBondContact OG1-N 2.98Å; T17-C21 PolarHBondContact O-N 3.45Å; T17-C21 VanDerWaalsContact O-N 3.17Å
18	Y	79.7	Confident	74.2	Confident	167 Å²	167	96.1 Å²	96.1	66%	0.655	53%	0.526	S	S	*	.	H	α-helix	trans	-58.7	-41.4	170.8	-179.8	-100.5	0	0	0	110.8	E20 C21 E22	Y18-E20 PolarHBondContact O-N 3.02Å; Y18-C21 VanDerWaalsContact O-CB 3.29Å; Y18-C21 WeakPolarHBondContact O-CB 3.36Å; Y18-C21 PolarHBondContact O-N 2.79Å; Y18-C21 VanDerWaalsContact O-N 3.14Å; Y18-E22 HydrophobicContact CD1-CG 4Å; Y18-E22 HydrophobicContact CE1-CG 3.61Å; Y18-E22 WeakPolarHBondContact CE1-OE1 3.35Å; Y18-E22 WeakPolarHBondContact CE1-OE2 3.3Å; Y18-E22 HydrophobicContact CE2-CG 4.4Å; Y18-E22 VanDerWaalsContact CZ-CD 3.49Å; Y18-E22 WeakPolarHBondContact O-CG 3.25Å; Y18-E22 PolarHBondContact O-N 3.02Å; Y18-E22 PolarHBondContact OH-OE1 3.33Å
19	E	81.9	Confident	73	Confident	142 Å²	142	99 Å²	99	66%	0.664	53%	0.527	S	S	*	.	H	α-helix	trans	-62.9	-36.9	177	-70	146	160.5	0	0	112.9	T17 C21 E22 A23	T17-E19 VanDerWaalsContact C-N 3.26Å; T17-E19 PolarHBondContact O-N 2.8Å; E19-C21 VanDerWaalsContact C-N 3.35Å; E19-E22 PolarHBondContact O-N 3.41Å; E19-A23 WeakPolarHBondContact O-CB 3.45Å; E19-A23 PolarHBondContact O-N 3.17Å
20	E	81.7	Confident	72.3	Confident	72 Å²	72	101.1 Å²	101.1	34%	0.336	52%	0.522	S	S	.	.	H	α-helix	trans	-65.8	-38.9	173.5	-81.4	-174	164.7	0	0	112.1	F15 Q16 T17 Y18 K24	F15-E20 HydrophobicContact CB-CB 3.88Å; F15-E20 HydrophobicContact CD1-CB 4.25Å; F15-E20 HydrophobicContact CG-CB 4.41Å; Q16-E20 WeakPolarHBondContact CB-OE2 3.19Å; Q16-E20 PolarHBondContact N-OE2 3.42Å; T17-E20 PolarHBondContact O-N 3.14Å; T17-E20 WeakPolarHBondContact OG1-CG 3.29Å; T17-E20 PolarHBondContact OG1-N 2.98Å; Y18-E20 PolarHBondContact O-N 3.02Å; E20-K24 WeakPolarHBondContact O-CB 3.4Å; E20-K24 PolarHBondContact O-N 3.3Å
21	C	82.9	Confident	71.8	Confident	43 Å²	43	103 Å²	103	29%	0.291	53%	0.526	S	S	.	.	H	α-helix	trans	-62.7	-48.8	173.4	-176	0	0	0	0	110.4	F15 T17 Y18 E19 A23 K24 C25	F15-C21 HydrophobicContact CB-CB 3.96Å; F15-C21 VanDerWaalsContact CD2-CA 3.44Å; F15-C21 HydrophobicContact CD2-CB 3.43Å; F15-C21 VanDerWaalsContact CD2-CB 3.43Å; F15-C21 HydrophobicContact CE2-CB 4.13Å; F15-C21 VanDerWaalsContact CG-CA 3.49Å; F15-C21 HydrophobicContact CG-CB 3.8Å; T17-C21 PolarHBondContact O-N 3.45Å; T17-C21 VanDerWaalsContact O-N 3.17Å; Y18-C21 VanDerWaalsContact O-CB 3.29Å; Y18-C21 WeakPolarHBondContact O-CB 3.36Å; Y18-C21 PolarHBondContact O-N 2.79Å; Y18-C21 VanDerWaalsContact O-N 3.14Å; E19-C21 VanDerWaalsContact C-N 3.35Å; C21-A23 PolarHBondContact O-N 3.38Å; C21-K24 PolarHBondContact O-N 3.08Å; C21-C25 WeakPolarHBondContact O-CA 3.41Å; C21-C25 WeakPolarHBondContact O-CB 3.5Å; C21-C25 PolarHBondContact O-N 2.87Å
22	E	81.4	Confident	71.2	Confident	68 Å²	68	101.1 Å²	101.1	32%	0.318	52%	0.516	S	S	.	.	I	π-helix	trans	-62.3	-44.7	177.6	-63.6	-159.5	134.1	0	0	111.5	Y18 E19 K24 I26 I27	Y18-E22 HydrophobicContact CD1-CG 4Å; Y18-E22 HydrophobicContact CE1-CG 3.61Å; Y18-E22 WeakPolarHBondContact CE1-OE1 3.35Å; Y18-E22 WeakPolarHBondContact CE1-OE2 3.3Å; Y18-E22 HydrophobicContact CE2-CG 4.4Å; Y18-E22 VanDerWaalsContact CZ-CD 3.49Å; Y18-E22 WeakPolarHBondContact O-CG 3.25Å; Y18-E22 PolarHBondContact O-N 3.02Å; Y18-E22 PolarHBondContact OH-OE1 3.33Å; E19-E22 PolarHBondContact O-N 3.41Å; E22-K24 VanDerWaalsContact C-N 3.32Å; E22-K24 PolarHBondContact O-N 3.46Å; E22-I26 HydrophobicContact CB-CB 4.41Å; E22-I26 HydrophobicContact CB-CD1 3.94Å; E22-I26 HydrophobicContact CB-CG1 4.33Å; E22-I26 HydrophobicContact CG-CD1 3.59Å; E22-I26 HydrophobicContact CG-CG1 4.43Å; E22-I26 CarbonylContact O-C 3.52Å; E22-I26 VanDerWaalsContact O-CA 3.28Å; E22-I26 WeakPolarHBondContact O-CA 3.45Å; E22-I26 WeakPolarHBondContact O-CB 3.17Å; E22-I26 PolarHBondContact O-N 3.29Å; E22-I27 PolarHBondContact O-N 3.08Å
23	A	77.3	Confident	71.1	Confident	50 Å²	50	99.4 Å²	99.4	41%	0.413	51%	0.511	S	S	.	.	I	π-helix	trans	-63.5	-34.7	-179.6	0	0	0	0	0	113.3	E19 C21 I27	E19-A23 WeakPolarHBondContact O-CB 3.45Å; E19-A23 PolarHBondContact O-N 3.17Å; C21-A23 PolarHBondContact O-N 3.38Å; A23-I27 HydrophobicContact CB-CD1 4.13Å; A23-I27 WeakPolarHBondContact O-CB 3.41Å
24	K	76.8	Confident	71.8	Confident	133 Å²	133	97.8 Å²	97.8	58%	0.578	50%	0.502	S	S	*	.	I	π-helix	trans	-96.7	-25.8	-177.8	-73.7	178.2	176.7	170.3	0	114.3	F15 E20 C21 E22 S28	F15-K24 HydrophobicContact CD1-CB 4.39Å; F15-K24 HydrophobicContact CD1-CD 3.96Å; F15-K24 HydrophobicContact CE1-CB 3.6Å; F15-K24 HydrophobicContact CE1-CD 3.51Å; F15-K24 HydrophobicContact CE1-CG 4.17Å; F15-K24 HydrophobicContact CZ-CB 4.04Å; E20-K24 WeakPolarHBondContact O-CB 3.4Å; E20-K24 PolarHBondContact O-N 3.3Å; C21-K24 PolarHBondContact O-N 3.08Å; E22-K24 VanDerWaalsContact C-N 3.32Å; E22-K24 PolarHBondContact O-N 3.46Å; K24-S28 PolarHBondContact O-OG 3.47Å
25	C	75.2	Confident	72.5	Confident	34 Å²	34	95.2 Å²	95.2	23%	0.23	49%	0.489	C	S	.	.	I	π-helix	trans	-110.2	-27.2	-176.1	-64.1	0	0	0	0	114	N13 F15 C21	N13-C25 PolarHBondContact OD1-SG 3.34Å; F15-C25 WeakPolarHBondContact CE2-SG 3.2Å; F15-C25 WeakPolarHBondContact CZ-SG 3.28Å; C21-C25 WeakPolarHBondContact O-CA 3.41Å; C21-C25 WeakPolarHBondContact O-CB 3.5Å; C21-C25 PolarHBondContact O-N 2.87Å
26	I	69.2	Low	73.1	Confident	98 Å²	98	93.9 Å²	93.9	50%	0.503	48%	0.484	S	S	.	.	I	π-helix	trans	-95.9	-45	178.8	-56.3	-176.7	0	0	0	110.3	E22 S28 K29	E22-I26 HydrophobicContact CB-CB 4.41Å; E22-I26 HydrophobicContact CB-CD1 3.94Å; E22-I26 HydrophobicContact CB-CG1 4.33Å; E22-I26 HydrophobicContact CG-CD1 3.59Å; E22-I26 HydrophobicContact CG-CG1 4.43Å; E22-I26 CarbonylContact O-C 3.52Å; E22-I26 VanDerWaalsContact O-CA 3.28Å; E22-I26 WeakPolarHBondContact O-CA 3.45Å; E22-I26 WeakPolarHBondContact O-CB 3.17Å; E22-I26 PolarHBondContact O-N 3.29Å; I26-S28 VanDerWaalsContact C-N 3.29Å; I26-S28 PolarHBondContact O-N 3.17Å; I26-K29 WeakPolarHBondContact O-CB 3.36Å; I26-K29 PolarHBondContact O-N 3.01Å; I26-K29 VanDerWaalsContact O-N 3.08Å
27	I	58.3	Low	73.7	Confident	124 Å²	124	89.5 Å²	89.5	64%	0.636	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-27.8	179.8	-55.8	-179	0	0	0	112.1	E22 A23 K29	E22-I27 PolarHBondContact O-N 3.08Å; A23-I27 HydrophobicContact CB-CD1 4.13Å; A23-I27 WeakPolarHBondContact O-CB 3.41Å; I27-K29 PolarHBondContact O-N 2.83Å
28	S	51.2	Low	74.1	Confident	89 Å²	89	87.5 Å²	87.5	62%	0.622	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-7.1	174.9	68.2	0	0	0	0	113.8	K24 I26 V30	K24-S28 PolarHBondContact O-OG 3.47Å; I26-S28 VanDerWaalsContact C-N 3.29Å; I26-S28 PolarHBondContact O-N 3.17Å; S28-V30 PolarHBondContact O-N 3.09Å; S28-V30 VanDerWaalsContact O-N 3.17Å
29	K	49.9	Very low	74.7	Confident	153 Å²	153	83.8 Å²	83.8	67%	0.665	45%	0.447	S	S	*	.			trans	-87.3	64.6	168.4	-69.3	-169.6	-178.3	-176.7	0	109.5	I26 I27 V31	I26-K29 WeakPolarHBondContact O-CB 3.36Å; I26-K29 PolarHBondContact O-N 3.01Å; I26-K29 VanDerWaalsContact O-N 3.08Å; I27-K29 PolarHBondContact O-N 2.83Å; K29-V31 HydrophobicContact CB-CG2 3.82Å; K29-V31 HydrophobicContact CD-CG2 4.48Å; K29-V31 PolarHBondContact O-N 2.93Å
30	V	51.4	Low	75.3	Confident	135 Å²	135	82.4 Å²	82.4	82%	0.818	44%	0.435	S	S	*	.			trans	-67.3	77.2	145.2	-177	0	0	0	0	104.9	S28 N32	S28-V30 PolarHBondContact O-N 3.09Å; S28-V30 VanDerWaalsContact O-N 3.17Å; V30-N32 PolarHBondContact O-N 2.9Å; V30-N32 VanDerWaalsContact O-N 3.09Å
31	V	54	Low	75.9	Confident	77 Å²	77	82.6 Å²	82.6	47%	0.467	44%	0.436	S	S	.	.			trans	-61.8	115	168.9	-171.9	0	0	0	0	103.1	K29 E33	K29-V31 HydrophobicContact CB-CG2 3.82Å; K29-V31 HydrophobicContact CD-CG2 4.48Å; K29-V31 PolarHBondContact O-N 2.93Å; V31-E33 PolarHBondContact O-N 3.44Å
32	N	59.7	Low	76.4	Confident	82 Å²	82	85.3 Å²	85.3	44%	0.439	45%	0.445	S	S	.	.			trans	-59.9	104.2	162.2	-170.9	-23.2	0	0	0	105.3	V30 N34 E37 Q38	V30-N32 PolarHBondContact O-N 2.9Å; V30-N32 VanDerWaalsContact O-N 3.09Å; N32-N34 PolarHBondContact O-N 3.33Å; N32-N34 VanDerWaalsContact O-N 3.13Å; N32-N34 WeakPolarHBondContact OD1-CB 2.94Å; N32-N34 PolarHBondContact OD1-N 2.02Å; N32-E37 HydrophobicContact CB-CB 4.43Å; N32-E37 WeakPolarHBondContact ND2-CB 3.49Å; N32-E37 WeakPolarHBondContact ND2-CG 3.45Å; N32-Q38 PolarHBondContact O-NE2 3.15Å
33	E	73.5	Confident	76.8	Confident	175 Å²	175	83.4 Å²	83.4	82%	0.818	44%	0.443	S	S	*	.	S	Bend	trans	-62.8	-19.9	-173.3	-69.6	-172	163.5	0	0	111.5	V31 P35	V31-E33 PolarHBondContact O-N 3.44Å; E33-P35 WeakPolarHBondContact O-CD 3.01Å
34	N	86.9	Confident	77.4	Confident	67 Å²	67	88.7 Å²	88.7	36%	0.358	46%	0.463	S	S	.	.			trans	-71.2	110.9	174.3	-171.5	-7.2	0	0	0	109.6	N32 C36 E37	N32-N34 PolarHBondContact O-N 3.33Å; N32-N34 VanDerWaalsContact O-N 3.13Å; N32-N34 WeakPolarHBondContact OD1-CB 2.94Å; N32-N34 PolarHBondContact OD1-N 2.02Å; N34-C36 PolarHBondContact O-N 2.71Å; N34-C36 VanDerWaalsContact O-N 3.08Å; N34-C36 WeakPolarHBondContact OD1-CB 3.19Å; N34-C36 PolarHBondContact OD1-N 2.62Å; N34-C36 PolarHBondContact OD1-SG 3.35Å; N34-E37 HydrophobicContact CB-CB 4.29Å; N34-E37 HydrophobicContact CB-CG 3.95Å; N34-E37 PolarHBondContact O-N 2.8Å
35	P	91.9	Very high	78.2	Confident	16 Å²	16	85.4 Å²	85.4	10%	0.104	46%	0.456	C	S	.	.	G	3₁₀ helix	trans	-54.3	-33.4	176.5	-29.5	43	0	0	0	112	E33 E37 Q38 S73 N74 F76	E33-P35 WeakPolarHBondContact O-CD 3.01Å; P35-E37 PolarHBondContact O-N 3.26Å; P35-Q38 PolarHBondContact O-N 2.81Å; P35-S73 WeakPolarHBondContact CB-O 3.37Å; P35-N74 WeakPolarHBondContact O-CB 3.18Å; P35-N74 VanDerWaalsContact O-CG 3.22Å; P35-F76 HydrophobicContact CB-CZ 4.06Å
36	C	92.1	Very high	79	Confident	6 Å²	6	89.7 Å²	89.7	4%	0.041	49%	0.487	C	S	.	.	G	3₁₀ helix	trans	-72.1	-13.7	-175.8	-45.1	0	0	0	0	113.6	N34 Y54 C86	N34-C36 PolarHBondContact O-N 2.71Å; N34-C36 VanDerWaalsContact O-N 3.08Å; N34-C36 WeakPolarHBondContact OD1-CB 3.19Å; N34-C36 PolarHBondContact OD1-N 2.62Å; N34-C36 PolarHBondContact OD1-SG 3.35Å; C36-Y54 HydrophobicContact CB-CD1 4.01Å; C36-Y54 HydrophobicContact CB-CG 4.39Å; C36-Y54 VanDerWaalsContact O-CD1 3.28Å; C36-Y54 WeakPolarHBondContact O-CD1 3.34Å; C36-C86 VanDerWaalsContact CA-SG 3.55Å; C36-C86 HydrophobicContact CB-CB 3.54Å; C36-C86 WeakPolarHBondContact CB-SG 3.33Å; C36-C86 WeakPolarHBondContact SG-CA 2.99Å; C36-C86 WeakPolarHBondContact SG-CB 3.11Å; C36-C86 CovalentContact SG-SG 2.03Å; C36-C86 PolarHBondContact SG-SG 3.45Å
37	E	90.2	Very high	80	Confident	87 Å²	87	87.1 Å²	87.1	41%	0.407	48%	0.48	S	S	.	.	G	3₁₀ helix	trans	-96.5	-11.3	177.4	-68.7	-69	164	0	0	113	N32 N34 P35	N32-E37 HydrophobicContact CB-CB 4.43Å; N32-E37 WeakPolarHBondContact ND2-CB 3.49Å; N32-E37 WeakPolarHBondContact ND2-CG 3.45Å; N34-E37 HydrophobicContact CB-CB 4.29Å; N34-E37 HydrophobicContact CB-CG 3.95Å; N34-E37 PolarHBondContact O-N 2.8Å; P35-E37 PolarHBondContact O-N 3.26Å
38	Q	91.7	Very high	81.8	Confident	20 Å²	20	86.4 Å²	86.4	9%	0.093	48%	0.481	C	S	.	.	S	Bend	trans	-80.1	151.4	-178.2	-61.7	174.6	-5.3	0	0	110.9	N32 P35 N72 N74	N32-Q38 PolarHBondContact O-NE2 3.15Å; P35-Q38 PolarHBondContact O-N 2.81Å; Q38-N72 VanDerWaalsContact OE1-CB 3.29Å; Q38-N72 PolarHBondContact OE1-OD1 3.13Å; Q38-N74 HydrophobicContact CB-CB 4.1Å; Q38-N74 PolarHBondContact O-ND2 2.83Å
39	P	92.7	Very high	83.8	Confident	89 Å²	89	85 Å²	85	58%	0.578	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-70.3	163.2	173.7	31.3	-35.5	0	0	0	111.3	N72	P39-N72 PolarHBondContact O-ND2 2.75Å; P39-N72 PolarHBondContact O-OD1 2.73Å
40	R	93.9	Very high	86	Confident	113 Å²	113	84 Å²	84	43%	0.426	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-68.8	139.1	164.9	75.7	-167.7	-174.5	89.9	4	110.4	E42 F53 F64	R40-E42 IonicContact CZ-OE1 3.46Å; R40-E42 IonicContact NH1-OE1 2.71Å; R40-E42 PolarHBondContact NH1-OE1 2.83Å; R40-E42 IonicContact NH2-OE1 3.35Å; R40-E42 PolarHBondContact NH2-OE1 2.95Å; R40-F53 HydrophobicContact CB-CB 4.13Å; R40-F53 HydrophobicContact CB-CD1 3.84Å; R40-F53 HydrophobicContact CB-CD2 3.6Å; R40-F53 HydrophobicContact CB-CE1 4.15Å; R40-F53 HydrophobicContact CB-CE2 3.91Å; R40-F53 HydrophobicContact CB-CG 3.56Å; R40-F53 HydrophobicContact CB-CZ 4.2Å; R40-F53 VanDerWaalsContact CD-CE1 3.44Å; R40-F53 HydrophobicContact CG-CD2 4.48Å; R40-F53 HydrophobicContact CG-CE1 4.43Å; R40-F53 HydrophobicContact CG-CE2 4.31Å; R40-F53 HydrophobicContact CG-CZ 4.31Å; R40-F64 HydrophobicContact CB-CD2 4.43Å
41	E	93.5	Very high	88.1	Confident	76 Å²	76	79 Å²	79	36%	0.355	43%	0.431	S	S	.	.			trans	-125	107.5	175	-80	176.5	-157.2	0	0	110.4	G43 F64 Y66 G71 N72	E41-G43 PolarHBondContact O-N 3.04Å; E41-F64 WeakPolarHBondContact O-CE2 3.23Å; E41-Y66 WeakPolarHBondContact O-CD2 3.22Å; E41-G71 WeakPolarHBondContact OE2-CA 3.28Å; E41-N72 WeakPolarHBondContact CG-ND2 3.37Å; E41-N72 PolarHBondContact OE1-ND2 2.79Å; E41-N72 PolarHBondContact OE2-N 2.77Å
42	E	93	Very high	90.1	Very high	100 Å²	100	77.6 Å²	77.6	47%	0.467	42%	0.417	S	S	.	.			trans	-63.3	-28.7	174.8	-63.2	-179.5	178.6	0	0	111	R40 F64 V65 Y66 S67	R40-E42 IonicContact CZ-OE1 3.46Å; R40-E42 IonicContact NH1-OE1 2.71Å; R40-E42 PolarHBondContact NH1-OE1 2.83Å; R40-E42 IonicContact NH2-OE1 3.35Å; R40-E42 PolarHBondContact NH2-OE1 2.95Å; E42-F64 HydrophobicContact CG-CD2 4.33Å; E42-V65 WeakPolarHBondContact CG-O 3.02Å; E42-Y66 WeakPolarHBondContact O-CD2 3.32Å; E42-S67 WeakPolarHBondContact O-CA 3.41Å; E42-S67 WeakPolarHBondContact O-CB 3.47Å; E42-S67 PolarHBondContact O-N 3.19Å; E42-S67 PolarHBondContact O-OG 2.8Å
43	G	91.5	Very high	91.8	Very high	27 Å²	27	74.6 Å²	74.6	28%	0.278	40%	0.4	S	S	.	.			trans	81.8	-175.3	179.2	0	0	0	0	0	113.7	E41 S67 C69	E41-G43 PolarHBondContact O-N 3.04Å; G43-S67 WeakPolarHBondContact CA-OG 3.42Å; G43-C69 VanDerWaalsContact CA-O 3.28Å; G43-C69 WeakPolarHBondContact CA-O 3.38Å
44	L	88.3	Confident	92.8	Very high	161 Å²	161	68.1 Å²	68.1	84%	0.843	37%	0.369	S	S	*	.	S	Bend	trans	-114.9	4.2	-169.9	-62.8	175.1	0	0	0	114.6	S67	L44-S67 PolarHBondContact N-OG 3.23Å; L44-S67 VanDerWaalsContact N-OG 3.15Å
45	C	93.3	Very high	93	Very high	64 Å²	64	66.1 Å²	66.1	43%	0.432	36%	0.358	S	S	.	.	S	Bend	trans	-88.7	-167.1	179.9	-79.8	0	0	0	0	111.3	S67 C69	C45-S67 CarbonylContact C-O 3.58Å; C45-S67 WeakPolarHBondContact CB-O 3.46Å; C45-S67 PolarHBondContact N-OG 3.38Å; C45-S67 VanDerWaalsContact N-OG 3.08Å; C45-S67 WeakPolarHBondContact O-CB 3.49Å; C45-C69 HydrophobicContact CB-CB 3.93Å; C45-C69 WeakPolarHBondContact CB-SG 2.98Å; C45-C69 WeakPolarHBondContact SG-CB 3.43Å; C45-C69 CovalentContact SG-SG 2.02Å; C45-C69 PolarHBondContact SG-SG 3.24Å
46	S	92.3	Very high	92.6	Very high	125 Å²	125	71.2 Å²	71.2	87%	0.874	38%	0.379	S	S	*	.			trans	-120.1	7.4	-174	-52.8	0	0	0	0	114.8	S67	S46-S67 PolarHBondContact N-O 2.86Å
47	A	92	Very high	92.2	Very high	44 Å²	44	77.1 Å²	77.1	36%	0.364	41%	0.414	S	S	.	.			trans	-76	156.2	177.6	0	0	0	0	0	111.2	I49 S67	A47-I49 HydrophobicContact CB-CD1 3.87Å; A47-I49 HydrophobicContact CB-CG1 3.7Å; A47-S67 VanDerWaalsContact CB-O 3.24Å; A47-S67 WeakPolarHBondContact CB-O 3.43Å; A47-S67 PolarHBondContact N-O 3.21Å; A47-S67 VanDerWaalsContact O-CA 3.28Å; A47-S67 WeakPolarHBondContact O-CA 3.46Å
48	V	94.2	Very high	91.6	Very high	109 Å²	109	74.1 Å²	74.1	66%	0.661	41%	0.405	S	S	*	.			trans	-113.5	85.1	171.4	179.9	0	0	0	0	106.8	V65	V48-V65 HydrophobicContact CB-CG1 4.3Å; V48-V65 HydrophobicContact CG1-CG1 3.82Å
49	I	94.8	Very high	91.1	Very high	60 Å²	60	80 Å²	80	31%	0.308	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	115.4	-176.7	-49.4	178.8	0	0	0	108.3	A47 K51 Y66	A47-I49 HydrophobicContact CB-CD1 3.87Å; A47-I49 HydrophobicContact CB-CG1 3.7Å; I49-K51 HydrophobicContact CG2-CD 4.24Å; I49-K51 HydrophobicContact CG2-CG 4.04Å; I49-K51 PolarHBondContact O-N 3.39Å; I49-Y66 WeakPolarHBondContact CB-O 3.22Å; I49-Y66 HydrophobicContact CD1-CD1 4.41Å; I49-Y66 PolarHBondContact N-O 3.16Å; I49-Y66 PolarHBondContact O-N 3.27Å
50	H	95.4	Very high	90.5	Very high	130 Å²	130	76.2 Å²	76.2	60%	0.602	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.3	122.3	175	-69.6	-82.6	0	0	0	109.6
51	K	95.9	Very high	90.4	Very high	32 Å²	32	70.9 Å²	70.9	14%	0.139	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	169.5	-178.4	-69.5	-68.3	-163.5	166.1	0	109.8	I49 S63 F64 Y66 N75 F76 E77	I49-K51 HydrophobicContact CG2-CD 4.24Å; I49-K51 HydrophobicContact CG2-CG 4.04Å; I49-K51 PolarHBondContact O-N 3.39Å; K51-S63 CarbonylContact O-C 3.58Å; K51-S63 VanDerWaalsContact O-CA 3.25Å; K51-S63 WeakPolarHBondContact O-CA 3.05Å; K51-F64 HydrophobicContact CB-CD1 4.01Å; K51-F64 HydrophobicContact CB-CE1 3.46Å; K51-F64 VanDerWaalsContact CB-CE1 3.46Å; K51-F64 HydrophobicContact CB-CZ 3.89Å; K51-F64 PolarHBondContact N-O 3.2Å; K51-F64 WeakPolarHBondContact O-CD1 3.43Å; K51-F64 PolarHBondContact O-N 3.23Å; K51-Y66 HydrophobicContact CG-CD1 4.26Å; K51-Y66 HydrophobicContact CG-CG 4.33Å; K51-N75 WeakPolarHBondContact CB-OD1 3.1Å; K51-N75 VanDerWaalsContact CD-OD1 3.22Å; K51-N75 WeakPolarHBondContact CD-OD1 3.44Å; K51-N75 WeakPolarHBondContact CG-OD1 3.16Å; K51-F76 WeakPolarHBondContact CD-O 3.31Å; K51-E77 IonicContact NZ-OE2 2.79Å; K51-E77 PolarHBondContact NZ-OE2 2.95Å
52	W	95.9	Very high	90.3	Very high	47 Å²	47	72.1 Å²	72.1	18%	0.178	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	147.1	178.3	-66.7	81	0	0	0	111.3	C61 R62 N75 F76 T78 R79 C82	W52-C61 HydrophobicContact CE3-CB 4.23Å; W52-C61 WeakPolarHBondContact CZ3-O 3.15Å; W52-R62 CarbonylContact C-O 3.46Å; W52-R62 VanDerWaalsContact CA-O 3.31Å; W52-R62 WeakPolarHBondContact CA-O 3.11Å; W52-N75 CarbonylContact O-C 3.54Å; W52-N75 WeakPolarHBondContact O-CA 3.24Å; W52-F76 HydrophobicContact CB-CB 4.15Å; W52-F76 PolarHBondContact N-O 3.25Å; W52-F76 WeakPolarHBondContact O-CD2 3.18Å; W52-F76 PolarHBondContact O-N 3.42Å; W52-T78 VanDerWaalsContact CD1-C 3.46Å; W52-R79 HydrophobicContact CD2-CB 3.72Å; W52-R79 HydrophobicContact CD2-CG 4.34Å; W52-R79 HydrophobicContact CE3-CB 3.81Å; W52-R79 HydrophobicContact CE3-CG 3.9Å; W52-R79 HydrophobicContact CG-CB 4.4Å; W52-R79 HydrophobicContact CH2-CB 3.89Å; W52-R79 HydrophobicContact CH2-CG 4.03Å; W52-R79 HydrophobicContact CZ2-CB 3.79Å; W52-R79 HydrophobicContact CZ2-CG 4.44Å; W52-R79 HydrophobicContact CZ3-CB 3.89Å; W52-R79 HydrophobicContact CZ3-CG 3.73Å; W52-C82 HydrophobicContact CB-CB 4.17Å
53	F	95.4	Very high	90.4	Very high	18 Å²	18	68.8 Å²	68.8	8%	0.079	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	150.9	173.1	79.8	-79.2	0	0	0	109.4	R40 D55 C61 R62 F64 N74	R40-F53 HydrophobicContact CB-CB 4.13Å; R40-F53 HydrophobicContact CB-CD1 3.84Å; R40-F53 HydrophobicContact CB-CD2 3.6Å; R40-F53 HydrophobicContact CB-CE1 4.15Å; R40-F53 HydrophobicContact CB-CE2 3.91Å; R40-F53 HydrophobicContact CB-CG 3.56Å; R40-F53 HydrophobicContact CB-CZ 4.2Å; R40-F53 VanDerWaalsContact CD-CE1 3.44Å; R40-F53 HydrophobicContact CG-CD2 4.48Å; R40-F53 HydrophobicContact CG-CE1 4.43Å; R40-F53 HydrophobicContact CG-CE2 4.31Å; R40-F53 HydrophobicContact CG-CZ 4.31Å; F53-D55 HydrophobicContact CD2-CB 4.49Å; F53-D55 HydrophobicContact CE2-CB 3.65Å; F53-D55 HydrophobicContact CZ-CB 3.99Å; F53-D55 PolarHBondContact O-N 3.29Å; F53-C61 CarbonylContact O-C 3.51Å; F53-C61 VanDerWaalsContact O-CA 3.29Å; F53-C61 WeakPolarHBondContact O-CA 3Å; F53-R62 HydrophobicContact CD1-CB 4.33Å; F53-R62 VanDerWaalsContact CD1-O 3.24Å; F53-R62 WeakPolarHBondContact CD1-O 3.22Å; F53-R62 HydrophobicContact CE1-CB 3.69Å; F53-R62 HydrophobicContact CZ-CB 4.07Å; F53-R62 PolarHBondContact N-O 3.31Å; F53-R62 PolarHBondContact O-N 2.75Å; F53-F64 HydrophobicContact CB-CD1 4.09Å; F53-F64 HydrophobicContact CB-CE1 3.96Å; F53-F64 HydrophobicContact CD1-CB 4.03Å; F53-F64 AromaticContact CD1-CD1 3.61Å; F53-F64 HydrophobicContact CD1-CD1 3.61Å; F53-F64 HydrophobicContact CD1-CE1 4.34Å; F53-F64 HydrophobicContact CD1-CG 4.01Å; F53-F64 HydrophobicContact CE1-CB 4.17Å; F53-F64 HydrophobicContact CG-CD1 4.26Å; F53-N74 WeakPolarHBondContact CA-OD1 3.38Å; F53-N74 HydrophobicContact CB-CB 4.4Å; F53-N74 WeakPolarHBondContact CB-O 3.27Å
54	Y	93.1	Very high	90.5	Very high	39 Å²	39	68 Å²	68	15%	0.153	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	113	171.4	-175.3	-106.9	0	0	0	110.4	C36 K56 R59 N74 C86 V87	C36-Y54 HydrophobicContact CB-CD1 4.01Å; C36-Y54 HydrophobicContact CB-CG 4.39Å; C36-Y54 VanDerWaalsContact O-CD1 3.28Å; C36-Y54 WeakPolarHBondContact O-CD1 3.34Å; Y54-K56 HydrophobicContact CD1-CB 4.31Å; Y54-K56 HydrophobicContact CE1-CB 4.02Å; Y54-K56 PolarHBondContact O-N 3.22Å; Y54-R59 WeakPolarHBondContact OH-CA 3.42Å; Y54-N74 PolarHBondContact N-OD1 2.78Å; Y54-N74 PolarHBondContact O-ND2 3.27Å; Y54-C86 HydrophobicContact CD1-CB 4.18Å; Y54-C86 HydrophobicContact CD2-CB 3.58Å; Y54-C86 HydrophobicContact CE2-CB 4.26Å; Y54-C86 HydrophobicContact CG-CB 3.52Å; Y54-V87 HydrophobicContact CD2-CG2 3.94Å; Y54-V87 HydrophobicContact CE2-CG2 3.71Å
55	D	91.1	Very high	90.8	Very high	26 Å²	26	63.2 Å²	63.2	14%	0.139	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	99.7	169.4	-177.2	-16.6	0	0	0	108.6	F53 T57 A58 R59 E60 R62	F53-D55 HydrophobicContact CD2-CB 4.49Å; F53-D55 HydrophobicContact CE2-CB 3.65Å; F53-D55 HydrophobicContact CZ-CB 3.99Å; F53-D55 PolarHBondContact O-N 3.29Å; D55-T57 PolarHBondContact O-N 3.12Å; D55-T57 WeakPolarHBondContact OD1-CA 3.49Å; D55-T57 VanDerWaalsContact OD1-CB 3.23Å; D55-T57 WeakPolarHBondContact OD1-CB 3.39Å; D55-T57 PolarHBondContact OD1-N 3.38Å; D55-A58 HydrophobicContact CB-CB 4Å; D55-A58 CarbonylContact O-C 3.55Å; D55-A58 PolarHBondContact O-N 3.3Å; D55-A58 PolarHBondContact OD1-N 3.43Å; D55-A58 VanDerWaalsContact OD1-N 3.09Å; D55-R59 VanDerWaalsContact O-CA 3.27Å; D55-R59 WeakPolarHBondContact O-CA 3.43Å; D55-R59 PolarHBondContact O-N 2.77Å; D55-E60 PolarHBondContact N-O 3.4Å; D55-E60 PolarHBondContact O-N 2.02Å; D55-R62 HydrophobicContact CB-CG 4.43Å; D55-R62 IonicContact OD2-CZ 3.15Å; D55-R62 IonicContact OD2-NE 3.44Å; D55-R62 IonicContact OD2-NH1 2.73Å; D55-R62 PolarHBondContact OD2-NH1 3.08Å
56	K	85.2	Confident	91	Very high	123 Å²	123	61.8 Å²	61.8	54%	0.535	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-24.1	177.7	68.9	-177.3	-180	-172.9	0	114.6	Y54 R59	Y54-K56 HydrophobicContact CD1-CB 4.31Å; Y54-K56 HydrophobicContact CE1-CB 4.02Å; Y54-K56 PolarHBondContact O-N 3.22Å; K56-R59 WeakPolarHBondContact O-CG 3.04Å
57	T	82.1	Confident	91	Very high	129 Å²	129	56.3 Å²	56.3	79%	0.791	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-45	178.3	-48.7	0	0	0	0	109.6	D55 R59	D55-T57 PolarHBondContact O-N 3.12Å; D55-T57 WeakPolarHBondContact OD1-CA 3.49Å; D55-T57 VanDerWaalsContact OD1-CB 3.23Å; D55-T57 WeakPolarHBondContact OD1-CB 3.39Å; D55-T57 PolarHBondContact OD1-N 3.38Å; T57-R59 VanDerWaalsContact C-N 3.3Å
58	A	79.1	Confident	91	Very high	25 Å²	25	56 Å²	56	21%	0.207	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-13.6	175	0	0	0	0	0	113.5	D55 E60 R62	D55-A58 HydrophobicContact CB-CB 4Å; D55-A58 CarbonylContact O-C 3.55Å; D55-A58 PolarHBondContact O-N 3.3Å; D55-A58 PolarHBondContact OD1-N 3.43Å; D55-A58 VanDerWaalsContact OD1-N 3.09Å; A58-E60 VanDerWaalsContact C-N 3.27Å; A58-E60 HydrophobicContact CB-CG 3.73Å; A58-E60 PolarHBondContact O-N 2.97Å; A58-R62 VanDerWaalsContact CB-CZ 3.42Å
59	R	79.8	Confident	90.9	Very high	143 Å²	143	52.6 Å²	52.6	54%	0.54	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	40.7	-172.7	-61.6	-173.5	-70.1	169.5	1.2	112.7	Y54 D55 K56 T57	Y54-R59 WeakPolarHBondContact OH-CA 3.42Å; D55-R59 VanDerWaalsContact O-CA 3.27Å; D55-R59 WeakPolarHBondContact O-CA 3.43Å; D55-R59 PolarHBondContact O-N 2.77Å; K56-R59 WeakPolarHBondContact O-CG 3.04Å; T57-R59 VanDerWaalsContact C-N 3.3Å
60	E	81.3	Confident	90.5	Very high	9 Å²	9	52.7 Å²	52.7	4%	0.042	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	159.3	-176.6	73.3	-169.7	170.3	0	0	112.3	D55 A58 R62 Q98 N132	D55-E60 PolarHBondContact N-O 3.4Å; D55-E60 PolarHBondContact O-N 2.02Å; A58-E60 VanDerWaalsContact C-N 3.27Å; A58-E60 HydrophobicContact CB-CG 3.73Å; A58-E60 PolarHBondContact O-N 2.97Å; E60-R62 HydrophobicContact CG-CG 3.92Å; E60-R62 IonicContact OE1-CZ 3.25Å; E60-R62 IonicContact OE1-NE 3.56Å; E60-R62 PolarHBondContact OE1-NE 2.71Å; E60-R62 IonicContact OE1-NH2 2.75Å; E60-R62 PolarHBondContact OE1-NH2 2.92Å; E60-Q98 PolarHBondContact OE2-NE2 3.18Å; E60-N132 WeakPolarHBondContact OE2-CA 3.28Å; E60-N132 WeakPolarHBondContact OE2-CB 3.43Å
61	C	90.4	Very high	90.1	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.007	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	127	171.3	-68.6	0	0	0	0	110.9	W52 F53 C82 E83	W52-C61 HydrophobicContact CE3-CB 4.23Å; W52-C61 WeakPolarHBondContact CZ3-O 3.15Å; F53-C61 CarbonylContact O-C 3.51Å; F53-C61 VanDerWaalsContact O-CA 3.29Å; F53-C61 WeakPolarHBondContact O-CA 3Å; C61-C82 HydrophobicContact CB-CB 3.71Å; C61-C82 WeakPolarHBondContact CB-SG 3.36Å; C61-C82 WeakPolarHBondContact SG-CB 3.25Å; C61-C82 CovalentContact SG-SG 2.03Å; C61-C82 PolarHBondContact SG-SG 2.8Å; C61-E83 HydrophobicContact CB-CG 4.07Å; C61-E83 PolarHBondContact SG-N 2.66Å; C61-E83 VanDerWaalsContact SG-N 3.38Å
62	R	92.6	Very high	89.9	Confident	103 Å²	103	47.9 Å²	47.9	39%	0.389	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	150.9	178.7	-67.8	-173.3	172.7	163.2	0.8	111.7	W52 F53 D55 A58 E60	W52-R62 CarbonylContact C-O 3.46Å; W52-R62 VanDerWaalsContact CA-O 3.31Å; W52-R62 WeakPolarHBondContact CA-O 3.11Å; F53-R62 HydrophobicContact CD1-CB 4.33Å; F53-R62 VanDerWaalsContact CD1-O 3.24Å; F53-R62 WeakPolarHBondContact CD1-O 3.22Å; F53-R62 HydrophobicContact CE1-CB 3.69Å; F53-R62 HydrophobicContact CZ-CB 4.07Å; F53-R62 PolarHBondContact N-O 3.31Å; F53-R62 PolarHBondContact O-N 2.75Å; D55-R62 HydrophobicContact CB-CG 4.43Å; D55-R62 IonicContact OD2-CZ 3.15Å; D55-R62 IonicContact OD2-NE 3.44Å; D55-R62 IonicContact OD2-NH1 2.73Å; D55-R62 PolarHBondContact OD2-NH1 3.08Å; A58-R62 VanDerWaalsContact CB-CZ 3.42Å; E60-R62 HydrophobicContact CG-CG 3.92Å; E60-R62 IonicContact OE1-CZ 3.25Å; E60-R62 IonicContact OE1-NE 3.56Å; E60-R62 PolarHBondContact OE1-NE 2.71Å; E60-R62 IonicContact OE1-NH2 2.75Å; E60-R62 PolarHBondContact OE1-NH2 2.92Å
63	S	93.9	Very high	89.8	Confident	30 Å²	30	48.9 Å²	48.9	21%	0.21	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	148.4	171.6	41.8	0	0	0	0	111.8	K51 E130	K51-S63 CarbonylContact O-C 3.58Å; K51-S63 VanDerWaalsContact O-CA 3.25Å; K51-S63 WeakPolarHBondContact O-CA 3.05Å; S63-E130 WeakPolarHBondContact OG-CG 3.5Å; S63-E130 PolarHBondContact OG-OE1 3.45Å
64	F	94.6	Very high	89.8	Confident	10 Å²	10	48 Å²	48	4%	0.044	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	165.2	168.4	77.1	-68.6	0	0	0	110.6	R40 E41 E42 K51 F53 Y66 N75	R40-F64 HydrophobicContact CB-CD2 4.43Å; E41-F64 WeakPolarHBondContact O-CE2 3.23Å; E42-F64 HydrophobicContact CG-CD2 4.33Å; K51-F64 HydrophobicContact CB-CD1 4.01Å; K51-F64 HydrophobicContact CB-CE1 3.46Å; K51-F64 VanDerWaalsContact CB-CE1 3.46Å; K51-F64 HydrophobicContact CB-CZ 3.89Å; K51-F64 PolarHBondContact N-O 3.2Å; K51-F64 WeakPolarHBondContact O-CD1 3.43Å; K51-F64 PolarHBondContact O-N 3.23Å; F53-F64 HydrophobicContact CB-CD1 4.09Å; F53-F64 HydrophobicContact CB-CE1 3.96Å; F53-F64 HydrophobicContact CD1-CB 4.03Å; F53-F64 AromaticContact CD1-CD1 3.61Å; F53-F64 HydrophobicContact CD1-CD1 3.61Å; F53-F64 HydrophobicContact CD1-CE1 4.34Å; F53-F64 HydrophobicContact CD1-CG 4.01Å; F53-F64 HydrophobicContact CE1-CB 4.17Å; F53-F64 HydrophobicContact CG-CD1 4.26Å; F64-Y66 HydrophobicContact CE2-CD2 4.39Å; F64-N75 HydrophobicContact CZ-CB 4.3Å
65	V	95.3	Very high	89.9	Confident	61 Å²	61	47.7 Å²	47.7	37%	0.37	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	115.6	174.4	179.9	0	0	0	0	108.9	E42 V48	E42-V65 WeakPolarHBondContact CG-O 3.02Å; V48-V65 HydrophobicContact CB-CG1 4.3Å; V48-V65 HydrophobicContact CG1-CG1 3.82Å
66	Y	95.7	Very high	90.2	Very high	33 Å²	33	47.1 Å²	47.1	13%	0.129	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	131.8	172.1	179.4	-126.2	0	0	0	110.6	E41 E42 I49 K51 F64 G68 C69 G71 N75	E41-Y66 WeakPolarHBondContact O-CD2 3.22Å; E42-Y66 WeakPolarHBondContact O-CD2 3.32Å; I49-Y66 WeakPolarHBondContact CB-O 3.22Å; I49-Y66 HydrophobicContact CD1-CD1 4.41Å; I49-Y66 PolarHBondContact N-O 3.16Å; I49-Y66 PolarHBondContact O-N 3.27Å; K51-Y66 HydrophobicContact CG-CD1 4.26Å; K51-Y66 HydrophobicContact CG-CG 4.33Å; F64-Y66 HydrophobicContact CE2-CD2 4.39Å; Y66-G68 VanDerWaalsContact CE1-CA 3.46Å; Y66-G68 PolarHBondContact O-N 3.09Å; Y66-C69 WeakPolarHBondContact CE2-O 3.24Å; Y66-C69 WeakPolarHBondContact OH-CA 3.01Å; Y66-C69 PolarHBondContact OH-N 2.7Å; Y66-G71 PolarHBondContact OH-N 3.44Å; Y66-N75 WeakPolarHBondContact CD1-ND2 3.4Å; Y66-N75 WeakPolarHBondContact CD2-ND2 3.28Å
67	S	93.4	Very high	90.6	Very high	11 Å²	11	46.4 Å²	46.4	8%	0.077	27%	0.268	C	S	.	.			trans	-75.4	-8.1	-176.2	68.9	0	0	0	0	114.3	E42 G43 L44 C45 S46 A47 C69	E42-S67 WeakPolarHBondContact O-CA 3.41Å; E42-S67 WeakPolarHBondContact O-CB 3.47Å; E42-S67 PolarHBondContact O-N 3.19Å; E42-S67 PolarHBondContact O-OG 2.8Å; G43-S67 WeakPolarHBondContact CA-OG 3.42Å; L44-S67 PolarHBondContact N-OG 3.23Å; L44-S67 VanDerWaalsContact N-OG 3.15Å; C45-S67 CarbonylContact C-O 3.58Å; C45-S67 WeakPolarHBondContact CB-O 3.46Å; C45-S67 PolarHBondContact N-OG 3.38Å; C45-S67 VanDerWaalsContact N-OG 3.08Å; C45-S67 WeakPolarHBondContact O-CB 3.49Å; S46-S67 PolarHBondContact N-O 2.86Å; A47-S67 VanDerWaalsContact CB-O 3.24Å; A47-S67 WeakPolarHBondContact CB-O 3.43Å; A47-S67 PolarHBondContact N-O 3.21Å; A47-S67 VanDerWaalsContact O-CA 3.28Å; A47-S67 WeakPolarHBondContact O-CA 3.46Å; S67-C69 PolarHBondContact OG-O 3.2Å
68	G	91.2	Very high	91.2	Very high	36 Å²	36	42.5 Å²	42.5	37%	0.371	24%	0.244	S	C	.	.	S	Bend	trans	96.5	-6.7	178.2	0	0	0	0	0	115.4	Y66	Y66-G68 VanDerWaalsContact CE1-CA 3.46Å; Y66-G68 PolarHBondContact O-N 3.09Å
69	C	91.8	Very high	91.7	Very high	38 Å²	38	43.2 Å²	43.2	26%	0.257	24%	0.242	S	C	.	.	S	Bend	trans	-150.4	167.3	172.9	76.1	0	0	0	0	112.6	G43 C45 Y66 S67 G71	G43-C69 VanDerWaalsContact CA-O 3.28Å; G43-C69 WeakPolarHBondContact CA-O 3.38Å; C45-C69 HydrophobicContact CB-CB 3.93Å; C45-C69 WeakPolarHBondContact CB-SG 2.98Å; C45-C69 WeakPolarHBondContact SG-CB 3.43Å; C45-C69 CovalentContact SG-SG 2.02Å; C45-C69 PolarHBondContact SG-SG 3.24Å; Y66-C69 WeakPolarHBondContact CE2-O 3.24Å; Y66-C69 WeakPolarHBondContact OH-CA 3.01Å; Y66-C69 PolarHBondContact OH-N 2.7Å; S67-C69 PolarHBondContact OG-O 3.2Å; C69-G71 VanDerWaalsContact C-N 3.29Å; C69-G71 PolarHBondContact O-N 2.8Å
70	A	87.8	Confident	92	Very high	62 Å²	62	41.9 Å²	41.9	51%	0.512	24%	0.241	S	C	.	.	S	Bend	trans	55.8	38.3	173.6	0	0	0	0	0	114.4
71	G	85.7	Confident	92.5	Very high	30 Å²	30	45.7 Å²	45.7	31%	0.309	26%	0.259	S	S	.	.			trans	-99.3	174.2	167.8	0	0	0	0	0	112.4	E41 Y66 C69	E41-G71 WeakPolarHBondContact OE2-CA 3.28Å; Y66-G71 PolarHBondContact OH-N 3.44Å; C69-G71 VanDerWaalsContact C-N 3.29Å; C69-G71 PolarHBondContact O-N 2.8Å
72	N	92.2	Very high	92.7	Very high	32 Å²	32	45.6 Å²	45.6	17%	0.171	26%	0.259	C	S	.	.			trans	-105.3	-169.8	173.8	67.1	37	0	0	0	111.3	Q38 P39 E41 N74 N75	Q38-N72 VanDerWaalsContact OE1-CB 3.29Å; Q38-N72 PolarHBondContact OE1-OD1 3.13Å; P39-N72 PolarHBondContact O-ND2 2.75Å; P39-N72 PolarHBondContact O-OD1 2.73Å; E41-N72 WeakPolarHBondContact CG-ND2 3.37Å; E41-N72 PolarHBondContact OE1-ND2 2.79Å; E41-N72 PolarHBondContact OE2-N 2.77Å; N72-N74 VanDerWaalsContact C-N 3.32Å; N72-N74 PolarHBondContact O-N 2.95Å; N72-N74 WeakPolarHBondContact OD1-CB 3.47Å; N72-N74 PolarHBondContact OD1-N 2.79Å; N72-N75 WeakPolarHBondContact O-CB 3.43Å
73	S	93.1	Very high	92.5	Very high	68 Å²	68	42.8 Å²	42.8	48%	0.476	25%	0.25	S	C	.	.	S	Bend	trans	-77.1	-14.9	-174.8	-57.5	0	0	0	0	113.6	P35 N75	P35-S73 WeakPolarHBondContact CB-O 3.37Å; S73-N75 PolarHBondContact O-N 2.84Å
74	N	95.8	Very high	92	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	28%	0.278	C	S	.	.			trans	-75.1	56.7	172.7	-154.9	1.5	0	0	0	111.1	P35 Q38 F53 Y54 N72 F76	P35-N74 WeakPolarHBondContact O-CB 3.18Å; P35-N74 VanDerWaalsContact O-CG 3.22Å; Q38-N74 HydrophobicContact CB-CB 4.1Å; Q38-N74 PolarHBondContact O-ND2 2.83Å; F53-N74 WeakPolarHBondContact CA-OD1 3.38Å; F53-N74 HydrophobicContact CB-CB 4.4Å; F53-N74 WeakPolarHBondContact CB-O 3.27Å; Y54-N74 PolarHBondContact N-OD1 2.78Å; Y54-N74 PolarHBondContact O-ND2 3.27Å; N72-N74 VanDerWaalsContact C-N 3.32Å; N72-N74 PolarHBondContact O-N 2.95Å; N72-N74 WeakPolarHBondContact OD1-CB 3.47Å; N72-N74 PolarHBondContact OD1-N 2.79Å; N74-F76 WeakPolarHBondContact OD1-CE2 3.42Å
75	N	96.1	Very high	91.8	Very high	32 Å²	32	54.4 Å²	54.4	17%	0.171	30%	0.301	C	S	.	.			trans	-150.8	84.1	-168.2	-172.4	-18.7	0	0	0	109.3	K51 W52 F64 Y66 N72 S73	K51-N75 WeakPolarHBondContact CB-OD1 3.1Å; K51-N75 VanDerWaalsContact CD-OD1 3.22Å; K51-N75 WeakPolarHBondContact CD-OD1 3.44Å; K51-N75 WeakPolarHBondContact CG-OD1 3.16Å; W52-N75 CarbonylContact O-C 3.54Å; W52-N75 WeakPolarHBondContact O-CA 3.24Å; F64-N75 HydrophobicContact CZ-CB 4.3Å; Y66-N75 WeakPolarHBondContact CD1-ND2 3.4Å; Y66-N75 WeakPolarHBondContact CD2-ND2 3.28Å; N72-N75 WeakPolarHBondContact O-CB 3.43Å; S73-N75 PolarHBondContact O-N 2.84Å
76	F	96.2	Very high	91.6	Very high	14 Å²	14	52.3 Å²	52.3	6%	0.061	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-98.2	147.7	-175.4	-56.3	-82.5	0	0	0	111.1	P35 K51 W52 N74 E81 C82 Q85 C86	P35-F76 HydrophobicContact CB-CZ 4.06Å; K51-F76 WeakPolarHBondContact CD-O 3.31Å; W52-F76 HydrophobicContact CB-CB 4.15Å; W52-F76 PolarHBondContact N-O 3.25Å; W52-F76 WeakPolarHBondContact O-CD2 3.18Å; W52-F76 PolarHBondContact O-N 3.42Å; N74-F76 WeakPolarHBondContact OD1-CE2 3.42Å; F76-E81 HydrophobicContact CB-CB 4.36Å; F76-E81 HydrophobicContact CD1-CB 4.35Å; F76-C82 HydrophobicContact CB-CB 3.79Å; F76-C82 HydrophobicContact CD1-CB 4.32Å; F76-C82 HydrophobicContact CD2-CB 3.35Å; F76-C82 VanDerWaalsContact CD2-SG 3.54Å; F76-C82 HydrophobicContact CE2-CB 3.97Å; F76-C82 HydrophobicContact CG-CB 3.55Å; F76-Q85 HydrophobicContact CE1-CB 4.05Å; F76-Q85 HydrophobicContact CE1-CG 4.31Å; F76-Q85 HydrophobicContact CZ-CB 4.32Å; F76-Q85 HydrophobicContact CZ-CG 4.42Å; F76-C86 VanDerWaalsContact CZ-SG 3.56Å
77	E	95	Very high	90.9	Very high	108 Å²	108	51.7 Å²	51.7	51%	0.505	29%	0.289	S	S	.	.	S	Bend	trans	-71.1	-42.3	177.9	-174.6	65.2	-152.7	0	0	110.7	K51 E81	K51-E77 IonicContact NZ-OE2 2.79Å; K51-E77 PolarHBondContact NZ-OE2 2.95Å; E77-E81 WeakPolarHBondContact CB-OE2 3.36Å; E77-E81 PolarHBondContact N-OE2 3.08Å
78	T	93.6	Very high	89.6	Confident	46 Å²	46	54.4 Å²	54.4	28%	0.282	31%	0.312	S	S	.	.	S	Bend	trans	-120.9	158.5	-176.7	66.1	0	0	0	0	112.1	W52 E80 E81 C82	W52-T78 VanDerWaalsContact CD1-C 3.46Å; T78-E80 VanDerWaalsContact C-N 3.26Å; T78-E80 PolarHBondContact O-N 3.21Å; T78-E81 WeakPolarHBondContact OG1-CB 3.34Å; T78-E81 VanDerWaalsContact OG1-CG 3.22Å; T78-E81 WeakPolarHBondContact OG1-CG 3.08Å; T78-E81 PolarHBondContact OG1-N 3.44Å; T78-E81 VanDerWaalsContact OG1-N 3.15Å; T78-C82 PolarHBondContact O-N 3.26Å
79	R	91	Very high	87.7	Confident	41 Å²	41	62 Å²	62	16%	0.155	34%	0.338	C	S	.	.	H	α-helix	trans	-60.5	-42.5	172.6	179.7	177.2	170.5	154.2	-1.9	110	W52 E81 C82 E83 G131 N132	W52-R79 HydrophobicContact CD2-CB 3.72Å; W52-R79 HydrophobicContact CD2-CG 4.34Å; W52-R79 HydrophobicContact CE3-CB 3.81Å; W52-R79 HydrophobicContact CE3-CG 3.9Å; W52-R79 HydrophobicContact CG-CB 4.4Å; W52-R79 HydrophobicContact CH2-CB 3.89Å; W52-R79 HydrophobicContact CH2-CG 4.03Å; W52-R79 HydrophobicContact CZ2-CB 3.79Å; W52-R79 HydrophobicContact CZ2-CG 4.44Å; W52-R79 HydrophobicContact CZ3-CB 3.89Å; W52-R79 HydrophobicContact CZ3-CG 3.73Å; R79-E81 PolarHBondContact O-N 2.92Å; R79-C82 WeakPolarHBondContact O-CB 3.16Å; R79-C82 PolarHBondContact O-N 3.48Å; R79-E83 HydrophobicContact CG-CG 4.22Å; R79-E83 IonicContact CZ-OE1 3.68Å; R79-E83 IonicContact NE-OE1 2.82Å; R79-E83 PolarHBondContact NE-OE1 2.92Å; R79-E83 IonicContact NE-OE2 3.28Å; R79-E83 IonicContact NH2-OE1 3.57Å; R79-E83 PolarHBondContact NH2-OE1 3.38Å; R79-E83 WeakPolarHBondContact O-CB 3.48Å; R79-E83 WeakPolarHBondContact O-CG 3.47Å; R79-E83 PolarHBondContact O-N 3.27Å; R79-G131 PolarHBondContact NH1-O 3.43Å; R79-N132 PolarHBondContact NH2-O 3.36Å
80	E	85.7	Confident	85.7	Confident	114 Å²	114	64 Å²	64	53%	0.533	35%	0.349	S	S	.	.	H	α-helix	trans	-63.2	-41.5	-176.8	-66.8	72.9	-164.4	0	0	112.1	T78 E83 Q84	T78-E80 VanDerWaalsContact C-N 3.26Å; T78-E80 PolarHBondContact O-N 3.21Å; E80-E83 PolarHBondContact O-N 2.86Å; E80-Q84 WeakPolarHBondContact O-CB 3.14Å; E80-Q84 VanDerWaalsContact O-CG 3.25Å; E80-Q84 WeakPolarHBondContact O-CG 3.21Å; E80-Q84 PolarHBondContact O-N 3.29Å
81	E	92	Very high	84.1	Confident	89 Å²	89	62.6 Å²	62.6	42%	0.416	34%	0.335	S	S	.	.	H	α-helix	trans	-62	-46.5	174.2	-78.6	167.8	-168.6	0	0	111.9	F76 E77 T78 R79 E83 Q84 Q85	F76-E81 HydrophobicContact CB-CB 4.36Å; F76-E81 HydrophobicContact CD1-CB 4.35Å; E77-E81 WeakPolarHBondContact CB-OE2 3.36Å; E77-E81 PolarHBondContact N-OE2 3.08Å; T78-E81 WeakPolarHBondContact OG1-CB 3.34Å; T78-E81 VanDerWaalsContact OG1-CG 3.22Å; T78-E81 WeakPolarHBondContact OG1-CG 3.08Å; T78-E81 PolarHBondContact OG1-N 3.44Å; T78-E81 VanDerWaalsContact OG1-N 3.15Å; R79-E81 PolarHBondContact O-N 2.92Å; E81-E83 VanDerWaalsContact C-N 3.34Å; E81-E83 PolarHBondContact O-N 3.21Å; E81-Q84 PolarHBondContact O-N 3Å; E81-Q85 PolarHBondContact O-N 2.8Å; E81-Q85 VanDerWaalsContact O-N 3.09Å
82	C	93.7	Very high	82.5	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-59.8	-46.6	176.2	178.3	0	0	0	0	111.1	W52 C61 F76 T78 R79 Q85 C86	W52-C82 HydrophobicContact CB-CB 4.17Å; C61-C82 HydrophobicContact CB-CB 3.71Å; C61-C82 WeakPolarHBondContact CB-SG 3.36Å; C61-C82 WeakPolarHBondContact SG-CB 3.25Å; C61-C82 CovalentContact SG-SG 2.03Å; C61-C82 PolarHBondContact SG-SG 2.8Å; F76-C82 HydrophobicContact CB-CB 3.79Å; F76-C82 HydrophobicContact CD1-CB 4.32Å; F76-C82 HydrophobicContact CD2-CB 3.35Å; F76-C82 VanDerWaalsContact CD2-SG 3.54Å; F76-C82 HydrophobicContact CE2-CB 3.97Å; F76-C82 HydrophobicContact CG-CB 3.55Å; T78-C82 PolarHBondContact O-N 3.26Å; R79-C82 WeakPolarHBondContact O-CB 3.16Å; R79-C82 PolarHBondContact O-N 3.48Å; C82-Q85 PolarHBondContact O-N 2.74Å; C82-C86 VanDerWaalsContact O-CB 3.23Å; C82-C86 WeakPolarHBondContact O-CB 3.45Å; C82-C86 PolarHBondContact O-N 2.03Å
83	E	88.1	Confident	80.7	Confident	43 Å²	43	63.7 Å²	63.7	20%	0.201	34%	0.338	C	S	.	.	H	α-helix	trans	-64.3	-45.9	-179.6	-73.2	178.5	163.5	0	0	111	C61 R79 E80 E81 Q85 C86 V87 Q133	C61-E83 HydrophobicContact CB-CG 4.07Å; C61-E83 PolarHBondContact SG-N 2.66Å; C61-E83 VanDerWaalsContact SG-N 3.38Å; R79-E83 HydrophobicContact CG-CG 4.22Å; R79-E83 IonicContact CZ-OE1 3.68Å; R79-E83 IonicContact NE-OE1 2.82Å; R79-E83 PolarHBondContact NE-OE1 2.92Å; R79-E83 IonicContact NE-OE2 3.28Å; R79-E83 IonicContact NH2-OE1 3.57Å; R79-E83 PolarHBondContact NH2-OE1 3.38Å; R79-E83 WeakPolarHBondContact O-CB 3.48Å; R79-E83 WeakPolarHBondContact O-CG 3.47Å; R79-E83 PolarHBondContact O-N 3.27Å; E80-E83 PolarHBondContact O-N 2.86Å; E81-E83 VanDerWaalsContact C-N 3.34Å; E81-E83 PolarHBondContact O-N 3.21Å; E83-Q85 VanDerWaalsContact C-N 3.26Å; E83-Q85 PolarHBondContact O-N 3.25Å; E83-C86 PolarHBondContact O-N 2.75Å; E83-V87 HydrophobicContact CB-CB 4.28Å; E83-V87 HydrophobicContact CB-CG2 4.32Å; E83-V87 HydrophobicContact CG-CG2 4.17Å; E83-V87 WeakPolarHBondContact O-CA 3.41Å; E83-V87 WeakPolarHBondContact O-CB 3.24Å; E83-V87 PolarHBondContact O-N 2.03Å; E83-Q133 PolarHBondContact OE1-NE2 3.17Å
84	Q	85	Confident	79.6	Confident	169 Å²	169	61.6 Å²	61.6	79%	0.79	32%	0.323	S	S	*	.	H	α-helix	trans	-58.8	-37.9	177.2	-76.4	176.7	7.3	0	0	112.9	E80 E81	E80-Q84 WeakPolarHBondContact O-CB 3.14Å; E80-Q84 VanDerWaalsContact O-CG 3.25Å; E80-Q84 WeakPolarHBondContact O-CG 3.21Å; E80-Q84 PolarHBondContact O-N 3.29Å; E81-Q84 PolarHBondContact O-N 3Å
85	Q	89.9	Confident	78.9	Confident	116 Å²	116	61.8 Å²	61.8	54%	0.542	32%	0.324	S	S	.	.	H	α-helix	trans	-84.7	-35.9	-177.4	-173.7	159.6	-5.5	0	0	113.4	F76 E81 C82 E83	F76-Q85 HydrophobicContact CE1-CB 4.05Å; F76-Q85 HydrophobicContact CE1-CG 4.31Å; F76-Q85 HydrophobicContact CZ-CB 4.32Å; F76-Q85 HydrophobicContact CZ-CG 4.42Å; E81-Q85 PolarHBondContact O-N 2.8Å; E81-Q85 VanDerWaalsContact O-N 3.09Å; C82-Q85 PolarHBondContact O-N 2.74Å; E83-Q85 VanDerWaalsContact C-N 3.26Å; E83-Q85 PolarHBondContact O-N 3.25Å
86	C	89.7	Confident	78.3	Confident	17 Å²	17	60.5 Å²	60.5	12%	0.115	32%	0.318	C	S	.	.	H	α-helix	trans	-110.2	-22.9	-168.5	-62	0	0	0	0	115	C36 Y54 F76 C82 E83	C36-C86 VanDerWaalsContact CA-SG 3.55Å; C36-C86 HydrophobicContact CB-CB 3.54Å; C36-C86 WeakPolarHBondContact CB-SG 3.33Å; C36-C86 WeakPolarHBondContact SG-CA 2.99Å; C36-C86 WeakPolarHBondContact SG-CB 3.11Å; C36-C86 CovalentContact SG-SG 2.03Å; C36-C86 PolarHBondContact SG-SG 3.45Å; Y54-C86 HydrophobicContact CD1-CB 4.18Å; Y54-C86 HydrophobicContact CD2-CB 3.58Å; Y54-C86 HydrophobicContact CE2-CB 4.26Å; Y54-C86 HydrophobicContact CG-CB 3.52Å; F76-C86 VanDerWaalsContact CZ-SG 3.56Å; C82-C86 VanDerWaalsContact O-CB 3.23Å; C82-C86 WeakPolarHBondContact O-CB 3.45Å; C82-C86 PolarHBondContact O-N 2.03Å; E83-C86 PolarHBondContact O-N 2.75Å
87	V	82.1	Confident	77.5	Confident	19 Å²	19	66 Å²	66	12%	0.115	34%	0.344	C	S	.	.	S	Bend	trans	-104.2	98.7	-173.7	177.3	0	0	0	0	107.8	Y54 E83 S91	Y54-V87 HydrophobicContact CD2-CG2 3.94Å; Y54-V87 HydrophobicContact CE2-CG2 3.71Å; E83-V87 HydrophobicContact CB-CB 4.28Å; E83-V87 HydrophobicContact CB-CG2 4.32Å; E83-V87 HydrophobicContact CG-CG2 4.17Å; E83-V87 WeakPolarHBondContact O-CA 3.41Å; E83-V87 WeakPolarHBondContact O-CB 3.24Å; E83-V87 PolarHBondContact O-N 2.03Å; V87-S91 VanDerWaalsContact CG1-OG 3.31Å; V87-S91 WeakPolarHBondContact CG1-OG 3.44Å
88	A	66.2	Low	77	Confident	68 Å²	68	61.9 Å²	61.9	56%	0.562	33%	0.325	S	S	*	.			trans	-56.4	146.3	179.6	0	0	0	0	0	111.8	T90 S91	A88-T90 CarbonylContact O-C 3.54Å; A88-T90 PolarHBondContact O-N 3.38Å; A88-S91 WeakPolarHBondContact O-CA 3.06Å; A88-S91 WeakPolarHBondContact O-CB 2.94Å; A88-S91 PolarHBondContact O-N 2.87Å
89	E	52.2	Low	76.6	Confident	196 Å²	196	64.3 Å²	64.3	92%	0.916	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.3	-20.7	-177.3	-69	-174.3	164.8	0	0	115.4	S91	E89-S91 PolarHBondContact O-N 2.84Å
90	T	49.8	Very low	76.6	Confident	81 Å²	81	67.1 Å²	67.1	50%	0.497	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	1.1	167.4	43.3	0	0	0	0	113.9	A88 A92 L93	A88-T90 CarbonylContact O-C 3.54Å; A88-T90 PolarHBondContact O-N 3.38Å; T90-A92 VanDerWaalsContact C-N 3.32Å; T90-A92 PolarHBondContact O-N 2.83Å; T90-L93 WeakPolarHBondContact O-CB 3.01Å; T90-L93 PolarHBondContact O-N 2.92Å
91	S	52.1	Low	77	Confident	31 Å²	31	64.4 Å²	64.4	22%	0.217	35%	0.345	C	S	.	.	H	α-helix	trans	-72.6	-18.7	-175.2	73.3	0	0	0	0	115.2	V87 A88 E89 L93 S94 A95	V87-S91 VanDerWaalsContact CG1-OG 3.31Å; V87-S91 WeakPolarHBondContact CG1-OG 3.44Å; A88-S91 WeakPolarHBondContact O-CA 3.06Å; A88-S91 WeakPolarHBondContact O-CB 2.94Å; A88-S91 PolarHBondContact O-N 2.87Å; E89-S91 PolarHBondContact O-N 2.84Å; S91-L93 PolarHBondContact O-N 2.96Å; S91-S94 VanDerWaalsContact CA-OG 3.23Å; S91-S94 WeakPolarHBondContact CA-OG 3.32Å; S91-S94 PolarHBondContact O-N 3.28Å; S91-S94 VanDerWaalsContact O-N 3.15Å; S91-S94 PolarHBondContact O-OG 3.02Å; S91-A95 WeakPolarHBondContact O-CB 3.23Å; S91-A95 PolarHBondContact O-N 3.2Å
92	A	52.2	Low	77.2	Confident	30 Å²	30	62.7 Å²	62.7	25%	0.248	34%	0.343	C	S	.	.	H	α-helix	trans	-57.2	-37.3	169.9	0	0	0	0	0	109.9	T90 A95 C96	T90-A92 VanDerWaalsContact C-N 3.32Å; T90-A92 PolarHBondContact O-N 2.83Å; A92-A95 WeakPolarHBondContact O-CB 3.17Å; A92-C96 PolarHBondContact O-N 2.99Å; A92-C96 VanDerWaalsContact O-N 3.09Å; A92-C96 PolarHBondContact O-SG 3.36Å
93	L	56.2	Low	77.1	Confident	55 Å²	55	63.8 Å²	63.8	29%	0.288	35%	0.354	S	S	.	.	H	α-helix	trans	-64.3	-51.9	171.4	-78.3	173.3	0	0	0	112.7	T90 S91 A95 C96 E97 Q149	T90-L93 WeakPolarHBondContact O-CB 3.01Å; T90-L93 PolarHBondContact O-N 2.92Å; S91-L93 PolarHBondContact O-N 2.96Å; L93-A95 PolarHBondContact O-N 3.15Å; L93-C96 PolarHBondContact O-N 3.07Å; L93-C96 VanDerWaalsContact O-N 3.07Å; L93-E97 WeakPolarHBondContact O-CG 3.4Å; L93-E97 PolarHBondContact O-N 2.98Å; L93-Q149 HydrophobicContact CD2-CB 3.33Å; L93-Q149 HydrophobicContact CD2-CG 3.63Å; L93-Q149 HydrophobicContact CG-CB 4.43Å; L93-Q149 HydrophobicContact CG-CG 4.3Å
94	S	69.1	Low	77.2	Confident	24 Å²	24	65.5 Å²	65.5	17%	0.168	37%	0.369	C	S	.	.	H	α-helix	trans	-62.3	-33.8	-177.6	65.5	0	0	0	0	111.1	S91 E97 Q98	S91-S94 VanDerWaalsContact CA-OG 3.23Å; S91-S94 WeakPolarHBondContact CA-OG 3.32Å; S91-S94 PolarHBondContact O-N 3.28Å; S91-S94 VanDerWaalsContact O-N 3.15Å; S91-S94 PolarHBondContact O-OG 3.02Å; S94-E97 PolarHBondContact O-N 3.48Å; S94-Q98 VanDerWaalsContact O-CG 3.27Å; S94-Q98 WeakPolarHBondContact O-CG 3.44Å; S94-Q98 PolarHBondContact O-N 2.71Å
95	A	80.7	Confident	77.6	Confident	4 Å²	4	60.1 Å²	60.1	3%	0.033	35%	0.35	C	S	.	.	H	α-helix	trans	-57.6	-55.1	171.4	0	0	0	0	0	110.1	S91 A92 L93 E97 Q98 Q133 N134	S91-A95 WeakPolarHBondContact O-CB 3.23Å; S91-A95 PolarHBondContact O-N 3.2Å; A92-A95 WeakPolarHBondContact O-CB 3.17Å; L93-A95 PolarHBondContact O-N 3.15Å; A95-E97 PolarHBondContact O-N 3.2Å; A95-Q98 WeakPolarHBondContact O-CB 3.22Å; A95-Q98 PolarHBondContact O-N 3.04Å; A95-Q133 HydrophobicContact CB-CB 3.3Å; A95-Q133 HydrophobicContact CB-CG 4.48Å; A95-N134 WeakPolarHBondContact O-CB 2.97Å; A95-N134 VanDerWaalsContact O-CG 3.24Å
96	C	84.5	Confident	77.8	Confident	6 Å²	6	64.4 Å²	64.4	4%	0.041	37%	0.366	C	S	.	.	H	α-helix	trans	-66.8	-20.6	-178.2	-53.7	0	0	0	0	113.8	A92 L93 Y114 N134 C146	A92-C96 PolarHBondContact O-N 2.99Å; A92-C96 VanDerWaalsContact O-N 3.09Å; A92-C96 PolarHBondContact O-SG 3.36Å; L93-C96 PolarHBondContact O-N 3.07Å; L93-C96 VanDerWaalsContact O-N 3.07Å; C96-Y114 HydrophobicContact CB-CD1 4.03Å; C96-Y114 HydrophobicContact CB-CG 4.24Å; C96-Y114 VanDerWaalsContact O-CD1 3.31Å; C96-Y114 WeakPolarHBondContact O-CD1 3.41Å; C96-N134 PolarHBondContact O-ND2 3.35Å; C96-C146 HydrophobicContact CB-CB 3.53Å; C96-C146 WeakPolarHBondContact CB-SG 3.46Å; C96-C146 WeakPolarHBondContact SG-CA 3.24Å; C96-C146 WeakPolarHBondContact SG-CB 3.16Å; C96-C146 CovalentContact SG-SG 2Å; C96-C146 PolarHBondContact SG-SG 3.39Å
97	E	79.7	Confident	78	Confident	129 Å²	129	65.8 Å²	65.8	60%	0.603	38%	0.379	S	S	*	.	H	α-helix	trans	-83.2	-16.5	174.3	-69.8	176	167.5	0	0	113.5	L93 S94 A95	L93-E97 WeakPolarHBondContact O-CG 3.4Å; L93-E97 PolarHBondContact O-N 2.98Å; S94-E97 PolarHBondContact O-N 3.48Å; A95-E97 PolarHBondContact O-N 3.2Å
98	Q	82.5	Confident	78.7	Confident	21 Å²	21	69.2 Å²	69.2	10%	0.098	40%	0.404	C	S	.	.	S	Bend	trans	-70.4	149.9	177.9	-75.2	161.2	-21.6	0	0	111.1	E60 S94 A95 N132 Q133 N134	E60-Q98 PolarHBondContact OE2-NE2 3.18Å; S94-Q98 VanDerWaalsContact O-CG 3.27Å; S94-Q98 WeakPolarHBondContact O-CG 3.44Å; S94-Q98 PolarHBondContact O-N 2.71Å; A95-Q98 WeakPolarHBondContact O-CB 3.22Å; A95-Q98 PolarHBondContact O-N 3.04Å; Q98-N132 HydrophobicContact CB-CB 4.28Å; Q98-N132 HydrophobicContact CG-CB 4.37Å; Q98-Q133 VanDerWaalsContact OE1-OE1 3.14Å; Q98-N134 HydrophobicContact CB-CB 4.24Å; Q98-N134 PolarHBondContact O-ND2 2.8Å
99	P	86.4	Confident	80.1	Confident	98 Å²	98	70.8 Å²	70.8	64%	0.636	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-64.7	165.3	172.1	29.6	-35.5	0	0	0	111.1	N132	P99-N132 PolarHBondContact O-ND2 3.21Å; P99-N132 PolarHBondContact O-OD1 2.86Å
100	Q	91.2	Very high	82.3	Confident	100 Å²	100	67 Å²	67	47%	0.467	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-62.5	140.9	164.1	62.1	-179.4	-33	0	0	110.4	F113 F124	Q100-F113 HydrophobicContact CB-CB 4.34Å; Q100-F113 HydrophobicContact CB-CD1 3.76Å; Q100-F113 HydrophobicContact CB-CD2 3.72Å; Q100-F113 HydrophobicContact CB-CE1 3.89Å; Q100-F113 HydrophobicContact CB-CE2 3.86Å; Q100-F113 HydrophobicContact CB-CG 3.67Å; Q100-F113 HydrophobicContact CB-CZ 3.95Å; Q100-F113 HydrophobicContact CG-CE1 4.27Å; Q100-F113 HydrophobicContact CG-CE2 4.26Å; Q100-F113 HydrophobicContact CG-CZ 4.09Å; Q100-F124 HydrophobicContact CB-CD2 4.21Å; Q100-F124 HydrophobicContact CB-CG 4.32Å
101	D	93.9	Very high	84.6	Confident	56 Å²	56	65.7 Å²	65.7	30%	0.299	37%	0.367	S	S	.	.			trans	-137.3	112	176.8	-172.2	-2.2	0	0	0	110.9	G103 F124 G131 N132	D101-G103 VanDerWaalsContact C-N 3.28Å; D101-G103 PolarHBondContact OD1-N 3.43Å; D101-F124 WeakPolarHBondContact O-CE2 3.11Å; D101-G131 WeakPolarHBondContact OD2-CA 3.33Å; D101-N132 WeakPolarHBondContact CB-ND2 3.13Å
102	S	95.3	Very high	86.7	Confident	54 Å²	54	66.4 Å²	66.4	38%	0.378	37%	0.365	S	S	.	.			trans	-74.5	-17.2	177.3	-65.2	0	0	0	0	112.9	L125 G127	S102-L125 WeakPolarHBondContact CB-O 3.27Å; S102-L125 PolarHBondContact OG-O 3.36Å; S102-G127 WeakPolarHBondContact O-CA 3.48Å; S102-G127 PolarHBondContact O-N 2.95Å
103	G	92.8	Very high	88.7	Confident	22 Å²	22	65.5 Å²	65.5	23%	0.227	36%	0.356	C	S	.	.			trans	66.7	178.2	-172.2	0	0	0	0	0	113.6	D101	D101-G103 VanDerWaalsContact C-N 3.28Å; D101-G103 PolarHBondContact OD1-N 3.43Å
104	P	90	Very high	90.1	Very high	79 Å²	79	63.7 Å²	63.7	51%	0.513	35%	0.345	S	S	.	.	S	Bend	trans	-85.7	-13.3	-175.7	34.8	-35.7	0	0	0	113.7	E130	P104-E130 WeakPolarHBondContact CD-OE2 3.43Å; P104-E130 HydrophobicContact CG-CB 4.49Å; P104-E130 VanDerWaalsContact CG-CD 3.43Å; P104-E130 HydrophobicContact CG-CG 4.1Å; P104-E130 WeakPolarHBondContact CG-OE2 3.4Å
105	C	93.3	Very high	90.7	Very high	56 Å²	56	63.9 Å²	63.9	38%	0.378	34%	0.344	S	S	.	.			trans	-70.7	154.9	177.9	-76.5	0	0	0	0	112.2	G127 C129	C105-G127 CarbonylContact C-O 3.52Å; C105-G127 WeakPolarHBondContact CB-O 3Å; C105-G127 WeakPolarHBondContact O-CA 3.22Å; C105-C129 HydrophobicContact CB-CB 3.84Å; C105-C129 WeakPolarHBondContact CB-SG 3.01Å; C105-C129 WeakPolarHBondContact SG-CB 3.4Å; C105-C129 CovalentContact SG-SG 2Å; C105-C129 PolarHBondContact SG-SG 3.47Å
106	K	93.8	Very high	90	Very high	206 Å²	206	66.7 Å²	66.7	90%	0.896	36%	0.362	S	S	*	.			trans	-107.7	13.4	-170.7	-59.1	-175.8	-179.5	179.3	0	114.3
107	A	94.8	Very high	89.1	Confident	46 Å²	46	75.2 Å²	75.2	38%	0.38	40%	0.399	S	S	.	.			trans	-74.6	171	169.4	0	0	0	0	0	109.8	F109 G127	A107-F109 HydrophobicContact CB-CD2 3.92Å; A107-F109 HydrophobicContact CB-CE2 3.38Å; A107-F109 HydrophobicContact CB-CZ 4.07Å; A107-G127 WeakPolarHBondContact CA-O 3.04Å; A107-G127 VanDerWaalsContact CB-O 3.22Å; A107-G127 WeakPolarHBondContact CB-O 3.15Å; A107-G127 PolarHBondContact N-O 2.76Å; A107-G127 VanDerWaalsContact O-CA 3.27Å; A107-G127 WeakPolarHBondContact O-CA 3.04Å
108	S	95.5	Very high	88.6	Confident	92 Å²	92	70.6 Å²	70.6	64%	0.643	38%	0.381	S	S	*	.			trans	-131.6	91.4	179.3	-70.1	0	0	0	0	109.3
109	F	97.4	Very high	87.8	Confident	101 Å²	101	69.8 Å²	69.8	44%	0.443	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	126.8	174.9	-62.1	-75.3	0	0	0	109.9	A107 R111 Y126 G128	A107-F109 HydrophobicContact CB-CD2 3.92Å; A107-F109 HydrophobicContact CB-CE2 3.38Å; A107-F109 HydrophobicContact CB-CZ 4.07Å; F109-R111 HydrophobicContact CB-CG 4.47Å; F109-R111 PolarHBondContact O-N 3.39Å; F109-Y126 HydrophobicContact CB-CD1 4.38Å; F109-Y126 HydrophobicContact CD2-CD1 4.4Å; F109-Y126 PolarHBondContact N-O 3.09Å; F109-Y126 PolarHBondContact O-N 2.91Å; F109-G128 VanDerWaalsContact CD2-CA 3.46Å; F109-G128 VanDerWaalsContact CE2-CA 3.5Å
110	Q	97.9	Very high	87.4	Confident	116 Å²	116	70.1 Å²	70.1	54%	0.542	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	122.1	169.2	-174.2	178.1	0.6	0	0	109.3	Y112 M123	Q110-Y112 PolarHBondContact NE2-OH 3.18Å; Q110-Y112 VanDerWaalsContact NE2-OH 3.1Å; Q110-M123 HydrophobicContact CG-CG 3.56Å; Q110-M123 HydrophobicContact CG-SD 4.12Å
111	R	97.6	Very high	87.3	Confident	53 Å²	53	65.6 Å²	65.6	20%	0.2	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	171.2	176.9	-65.4	-65.2	-179.8	83.9	2.5	109.8	F109 M123 F124 Y126 N135 F136	F109-R111 HydrophobicContact CB-CG 4.47Å; F109-R111 PolarHBondContact O-N 3.39Å; R111-M123 CarbonylContact O-C 3.27Å; R111-M123 VanDerWaalsContact O-CA 3.28Å; R111-M123 WeakPolarHBondContact O-CA 2.99Å; R111-F124 HydrophobicContact CB-CD1 3.91Å; R111-F124 HydrophobicContact CB-CE1 3.43Å; R111-F124 VanDerWaalsContact CB-CE1 3.43Å; R111-F124 HydrophobicContact CB-CZ 3.85Å; R111-F124 PolarHBondContact N-O 2.54Å; R111-F124 PolarHBondContact O-N 3.28Å; R111-Y126 VanDerWaalsContact CG-CB 3.44Å; R111-Y126 HydrophobicContact CG-CD1 4.1Å; R111-Y126 HydrophobicContact CG-CG 4.11Å; R111-Y126 VanDerWaalsContact CZ-CD1 3.49Å; R111-N135 WeakPolarHBondContact CB-OD1 3.14Å; R111-N135 VanDerWaalsContact CD-OD1 3.26Å; R111-N135 WeakPolarHBondContact CD-OD1 3.45Å; R111-N135 WeakPolarHBondContact CG-OD1 2.9Å; R111-N135 PolarHBondContact NH1-OD1 2.04Å; R111-F136 CarbonylContact C-O 3.32Å; R111-F136 WeakPolarHBondContact CA-O 3.48Å; R111-F136 WeakPolarHBondContact CD-O 3.39Å
112	Y	96.3	Very high	87.2	Confident	47 Å²	47	65.9 Å²	65.9	18%	0.184	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	141.1	178.2	-64.9	-94.3	0	0	0	110.2	Q110 E122 M123 F136 K139	Q110-Y112 PolarHBondContact NE2-OH 3.18Å; Q110-Y112 VanDerWaalsContact NE2-OH 3.1Å; Y112-E122 CarbonylContact C-O 3.49Å; Y112-E122 WeakPolarHBondContact CA-O 3.07Å; Y112-M123 HydrophobicContact CD1-CB 4.12Å; Y112-M123 HydrophobicContact CE1-CB 3.83Å; Y112-M123 HydrophobicContact CE1-CG 4.39Å; Y112-F136 PolarHBondContact N-O 2.8Å; Y112-F136 WeakPolarHBondContact O-CD2 3.36Å; Y112-F136 PolarHBondContact O-N 2.7Å; Y112-K139 HydrophobicContact CD1-CB 3.67Å; Y112-K139 HydrophobicContact CD1-CG 3.89Å; Y112-K139 HydrophobicContact CD2-CB 4.43Å; Y112-K139 HydrophobicContact CE1-CB 3.57Å; Y112-K139 HydrophobicContact CE1-CG 4Å; Y112-K139 HydrophobicContact CE2-CB 4.35Å; Y112-K139 HydrophobicContact CG-CB 4.1Å
113	F	93.4	Very high	87.3	Confident	11 Å²	11	68.1 Å²	68.1	5%	0.048	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	149.6	173.3	81	-76.4	0	0	0	109	Q100 N115 C121 E122 F124 N134 C142	Q100-F113 HydrophobicContact CB-CB 4.34Å; Q100-F113 HydrophobicContact CB-CD1 3.76Å; Q100-F113 HydrophobicContact CB-CD2 3.72Å; Q100-F113 HydrophobicContact CB-CE1 3.89Å; Q100-F113 HydrophobicContact CB-CE2 3.86Å; Q100-F113 HydrophobicContact CB-CG 3.67Å; Q100-F113 HydrophobicContact CB-CZ 3.95Å; Q100-F113 HydrophobicContact CG-CE1 4.27Å; Q100-F113 HydrophobicContact CG-CE2 4.26Å; Q100-F113 HydrophobicContact CG-CZ 4.09Å; F113-N115 HydrophobicContact CD2-CB 4.45Å; F113-N115 HydrophobicContact CE2-CB 3.68Å; F113-N115 HydrophobicContact CZ-CB 3.96Å; F113-N115 PolarHBondContact O-N 3.31Å; F113-C121 CarbonylContact O-C 3.58Å; F113-C121 VanDerWaalsContact O-CA 3.29Å; F113-C121 WeakPolarHBondContact O-CA 3.42Å; F113-E122 HydrophobicContact CD1-CB 4.21Å; F113-E122 WeakPolarHBondContact CD1-O 3.31Å; F113-E122 HydrophobicContact CE1-CB 3.7Å; F113-E122 HydrophobicContact CZ-CB 4.2Å; F113-E122 PolarHBondContact N-O 3.2Å; F113-E122 PolarHBondContact O-N 2Å; F113-F124 HydrophobicContact CB-CD1 3.98Å; F113-F124 HydrophobicContact CB-CE1 3.87Å; F113-F124 HydrophobicContact CD1-CB 4.03Å; F113-F124 AromaticContact CD1-CD1 3.7Å; F113-F124 HydrophobicContact CD1-CD1 3.7Å; F113-F124 HydrophobicContact CD1-CE1 4.44Å; F113-F124 HydrophobicContact CD1-CG 4.06Å; F113-F124 HydrophobicContact CE1-CB 4.25Å; F113-F124 HydrophobicContact CG-CD1 4.26Å; F113-N134 WeakPolarHBondContact CA-O 3.12Å; F113-N134 WeakPolarHBondContact CA-OD1 2.97Å; F113-N134 HydrophobicContact CB-CB 4.23Å; F113-N134 WeakPolarHBondContact CB-O 3.29Å; F113-C142 VanDerWaalsContact C-SG 3.55Å
114	Y	87.1	Confident	87.5	Confident	17 Å²	17	67.4 Å²	67.4	7%	0.067	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	117.7	172	-179.2	-95.7	0	0	0	109.9	C96 P116 A119 N134 C142 C146 T147 S150	C96-Y114 HydrophobicContact CB-CD1 4.03Å; C96-Y114 HydrophobicContact CB-CG 4.24Å; C96-Y114 VanDerWaalsContact O-CD1 3.31Å; C96-Y114 WeakPolarHBondContact O-CD1 3.41Å; Y114-P116 HydrophobicContact CE1-CB 4.1Å; Y114-P116 WeakPolarHBondContact O-CD 3.33Å; Y114-A119 HydrophobicContact CE2-CB 4.25Å; Y114-A119 VanDerWaalsContact OH-CB 3.23Å; Y114-A119 WeakPolarHBondContact OH-CB 3.38Å; Y114-N134 PolarHBondContact N-OD1 2.81Å; Y114-N134 PolarHBondContact O-ND2 3.37Å; Y114-C142 PolarHBondContact N-SG 3.27Å; Y114-C142 VanDerWaalsContact N-SG 3.43Å; Y114-C146 WeakPolarHBondContact CB-SG 3.38Å; Y114-C146 HydrophobicContact CD1-CB 4.3Å; Y114-C146 HydrophobicContact CD2-CB 3.46Å; Y114-C146 VanDerWaalsContact CD2-CB 3.46Å; Y114-C146 HydrophobicContact CE2-CB 4.26Å; Y114-C146 HydrophobicContact CG-CB 3.46Å; Y114-C146 VanDerWaalsContact CG-CB 3.46Å; Y114-T147 HydrophobicContact CD2-CG2 4.1Å; Y114-T147 HydrophobicContact CE2-CG2 3.93Å; Y114-S150 WeakPolarHBondContact OH-CB 3.38Å; Y114-S150 PolarHBondContact OH-OG 3.33Å
115	N	79.9	Confident	87.8	Confident	28 Å²	28	68.2 Å²	68.2	15%	0.15	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	112.6	172.7	178.9	-18.9	0	0	0	108.6	F113 F117 S118 A119 Q120 E122	F113-N115 HydrophobicContact CD2-CB 4.45Å; F113-N115 HydrophobicContact CE2-CB 3.68Å; F113-N115 HydrophobicContact CZ-CB 3.96Å; F113-N115 PolarHBondContact O-N 3.31Å; N115-F117 VanDerWaalsContact C-N 3.26Å; N115-F117 PolarHBondContact O-N 2.73Å; N115-F117 VanDerWaalsContact OD1-CB 3.31Å; N115-F117 WeakPolarHBondContact OD1-CB 3.38Å; N115-F117 WeakPolarHBondContact OD1-CD2 3.23Å; N115-F117 PolarHBondContact OD1-N 3.37Å; N115-S118 WeakPolarHBondContact CB-OG 2.94Å; N115-S118 PolarHBondContact O-N 2.02Å; N115-S118 PolarHBondContact O-OG 3.31Å; N115-S118 PolarHBondContact OD1-N 3.46Å; N115-A119 WeakPolarHBondContact O-CA 3.25Å; N115-A119 PolarHBondContact O-N 2.94Å; N115-Q120 PolarHBondContact N-O 3.35Å; N115-Q120 PolarHBondContact O-N 3.39Å; N115-E122 HydrophobicContact CB-CG 4.3Å; N115-E122 VanDerWaalsContact ND2-CD 3.3Å; N115-E122 PolarHBondContact ND2-OE1 3.38Å; N115-E122 VanDerWaalsContact ND2-OE1 3.09Å; N115-E122 PolarHBondContact ND2-OE2 3.02Å
116	P	66.7	Low	88	Confident	62 Å²	62	66.4 Å²	66.4	40%	0.403	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-26.9	-178.5	26.1	-34.3	0	0	0	113.1	Y114 A119 K229	Y114-P116 HydrophobicContact CE1-CB 4.1Å; Y114-P116 WeakPolarHBondContact O-CD 3.33Å; P116-A119 PolarHBondContact O-N 3.33Å; P116-K229 PolarHBondContact O-NZ 3.37Å
117	F	66.3	Low	88	Confident	186 Å²	186	56.8 Å²	56.8	82%	0.816	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-50.2	178.9	-58.6	-76.9	0	0	0	110.6	N115 A119 K229	N115-F117 VanDerWaalsContact C-N 3.26Å; N115-F117 PolarHBondContact O-N 2.73Å; N115-F117 VanDerWaalsContact OD1-CB 3.31Å; N115-F117 WeakPolarHBondContact OD1-CB 3.38Å; N115-F117 WeakPolarHBondContact OD1-CD2 3.23Å; N115-F117 PolarHBondContact OD1-N 3.37Å; F117-A119 VanDerWaalsContact C-N 3.34Å; F117-K229 PolarHBondContact O-NZ 3.1Å
118	S	69.2	Low	87.9	Confident	32 Å²	32	56.1 Å²	56.1	22%	0.224	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-19.9	173.1	68.2	0	0	0	0	113	N115 Q120 E122 K229	N115-S118 WeakPolarHBondContact CB-OG 2.94Å; N115-S118 PolarHBondContact O-N 2.02Å; N115-S118 PolarHBondContact O-OG 3.31Å; N115-S118 PolarHBondContact OD1-N 3.46Å; S118-Q120 PolarHBondContact OG-N 2.9Å; S118-E122 WeakPolarHBondContact CB-OE1 3.27Å; S118-E122 PolarHBondContact OG-OE1 3.48Å; S118-K229 VanDerWaalsContact C-NZ 3.3Å; S118-K229 WeakPolarHBondContact O-CD 3.49Å; S118-K229 WeakPolarHBondContact O-CE 3.38Å; S118-K229 PolarHBondContact O-NZ 2.83Å
119	A	66.1	Low	87.6	Confident	4 Å²	4	53.4 Å²	53.4	3%	0.033	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	45.2	47.7	-161.8	0	0	0	0	0	112.9	Y114 N115 P116 F117 K229	Y114-A119 HydrophobicContact CE2-CB 4.25Å; Y114-A119 VanDerWaalsContact OH-CB 3.23Å; Y114-A119 WeakPolarHBondContact OH-CB 3.38Å; N115-A119 WeakPolarHBondContact O-CA 3.25Å; N115-A119 PolarHBondContact O-N 2.94Å; P116-A119 PolarHBondContact O-N 3.33Å; F117-A119 VanDerWaalsContact C-N 3.34Å; A119-K229 HydrophobicContact CB-CD 3.65Å; A119-K229 VanDerWaalsContact N-NZ 3.14Å
120	Q	77.8	Confident	87	Confident	104 Å²	104	52.6 Å²	52.6	49%	0.486	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	151.1	175.1	-63.2	-177.7	20.9	0	0	109.8	N115 S118 E122	N115-Q120 PolarHBondContact N-O 3.35Å; N115-Q120 PolarHBondContact O-N 3.39Å; S118-Q120 PolarHBondContact OG-N 2.9Å; Q120-E122 PolarHBondContact O-N 3.45Å
121	C	88.4	Confident	86.4	Confident	5 Å²	5	47.4 Å²	47.4	3%	0.034	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	110.8	164.3	-71.1	0	0	0	0	110	F113 K139 C142 D143	F113-C121 CarbonylContact O-C 3.58Å; F113-C121 VanDerWaalsContact O-CA 3.29Å; F113-C121 WeakPolarHBondContact O-CA 3.42Å; C121-K139 HydrophobicContact CB-CG 4.02Å; C121-C142 HydrophobicContact CB-CB 3.52Å; C121-C142 WeakPolarHBondContact CB-SG 3.22Å; C121-C142 WeakPolarHBondContact SG-CB 3.31Å; C121-C142 PolarHBondContact SG-O 2.86Å; C121-C142 VanDerWaalsContact SG-O 3.42Å; C121-C142 CovalentContact SG-SG 2.02Å; C121-C142 PolarHBondContact SG-SG 3.34Å; C121-D143 VanDerWaalsContact CB-OD1 3.29Å; C121-D143 WeakPolarHBondContact CB-OD1 3.5Å; C121-D143 PolarHBondContact SG-N 2.76Å; C121-D143 PolarHBondContact SG-OD1 2.78Å; C121-D143 VanDerWaalsContact SG-OD1 3.34Å
122	E	91.5	Very high	85.8	Confident	62 Å²	62	45.1 Å²	45.1	29%	0.29	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	147.8	-178.2	-72.4	172.5	-163.2	0	0	110	Y112 F113 N115 S118 Q120	Y112-E122 CarbonylContact C-O 3.49Å; Y112-E122 WeakPolarHBondContact CA-O 3.07Å; F113-E122 HydrophobicContact CD1-CB 4.21Å; F113-E122 WeakPolarHBondContact CD1-O 3.31Å; F113-E122 HydrophobicContact CE1-CB 3.7Å; F113-E122 HydrophobicContact CZ-CB 4.2Å; F113-E122 PolarHBondContact N-O 3.2Å; F113-E122 PolarHBondContact O-N 2Å; N115-E122 HydrophobicContact CB-CG 4.3Å; N115-E122 VanDerWaalsContact ND2-CD 3.3Å; N115-E122 PolarHBondContact ND2-OE1 3.38Å; N115-E122 VanDerWaalsContact ND2-OE1 3.09Å; N115-E122 PolarHBondContact ND2-OE2 3.02Å; S118-E122 WeakPolarHBondContact CB-OE1 3.27Å; S118-E122 PolarHBondContact OG-OE1 3.48Å; Q120-E122 PolarHBondContact O-N 3.45Å
123	M	97.1	Very high	85.4	Confident	102 Å²	102	44 Å²	44	50%	0.502	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	139.2	176.2	-177.8	-81.9	-66.6	0	0	110	Q110 R111 Y112	Q110-M123 HydrophobicContact CG-CG 3.56Å; Q110-M123 HydrophobicContact CG-SD 4.12Å; R111-M123 CarbonylContact O-C 3.27Å; R111-M123 VanDerWaalsContact O-CA 3.28Å; R111-M123 WeakPolarHBondContact O-CA 2.99Å; Y112-M123 HydrophobicContact CD1-CB 4.12Å; Y112-M123 HydrophobicContact CE1-CB 3.83Å; Y112-M123 HydrophobicContact CE1-CG 4.39Å
124	F	96.7	Very high	85.2	Confident	6 Å²	6	43.5 Å²	43.5	3%	0.026	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	164.6	169	79.1	-70.2	0	0	0	111.8	Q100 D101 R111 F113 N135	Q100-F124 HydrophobicContact CB-CD2 4.21Å; Q100-F124 HydrophobicContact CB-CG 4.32Å; D101-F124 WeakPolarHBondContact O-CE2 3.11Å; R111-F124 HydrophobicContact CB-CD1 3.91Å; R111-F124 HydrophobicContact CB-CE1 3.43Å; R111-F124 VanDerWaalsContact CB-CE1 3.43Å; R111-F124 HydrophobicContact CB-CZ 3.85Å; R111-F124 PolarHBondContact N-O 2.54Å; R111-F124 PolarHBondContact O-N 3.28Å; F113-F124 HydrophobicContact CB-CD1 3.98Å; F113-F124 HydrophobicContact CB-CE1 3.87Å; F113-F124 HydrophobicContact CD1-CB 4.03Å; F113-F124 AromaticContact CD1-CD1 3.7Å; F113-F124 HydrophobicContact CD1-CD1 3.7Å; F113-F124 HydrophobicContact CD1-CE1 4.44Å; F113-F124 HydrophobicContact CD1-CG 4.06Å; F113-F124 HydrophobicContact CE1-CB 4.25Å; F113-F124 HydrophobicContact CG-CD1 4.26Å; F124-N135 HydrophobicContact CZ-CB 4.05Å
125	L	97	Very high	85.6	Confident	96 Å²	96	43.8 Å²	43.8	50%	0.503	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	114.3	175.3	-65.7	177.9	0	0	0	109.9	S102	S102-L125 WeakPolarHBondContact CB-O 3.27Å; S102-L125 PolarHBondContact OG-O 3.36Å
126	Y	97.1	Very high	86.2	Confident	18 Å²	18	43.1 Å²	43.1	7%	0.071	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	131	175.7	173	-122.2	0	0	0	110.9	F109 R111 G128 C129 E130 N135	F109-Y126 HydrophobicContact CB-CD1 4.38Å; F109-Y126 HydrophobicContact CD2-CD1 4.4Å; F109-Y126 PolarHBondContact N-O 3.09Å; F109-Y126 PolarHBondContact O-N 2.91Å; R111-Y126 VanDerWaalsContact CG-CB 3.44Å; R111-Y126 HydrophobicContact CG-CD1 4.1Å; R111-Y126 HydrophobicContact CG-CG 4.11Å; R111-Y126 VanDerWaalsContact CZ-CD1 3.49Å; Y126-G128 PolarHBondContact O-N 2.96Å; Y126-C129 WeakPolarHBondContact CE2-O 3.48Å; Y126-C129 WeakPolarHBondContact OH-CA 3.09Å; Y126-C129 PolarHBondContact OH-N 2.85Å; Y126-C129 PolarHBondContact OH-O 2.54Å; Y126-E130 WeakPolarHBondContact CE2-O 3.46Å; Y126-E130 PolarHBondContact OH-N 2.88Å; Y126-E130 PolarHBondContact OH-O 2.84Å; Y126-N135 WeakPolarHBondContact CD2-ND2 3.37Å; Y126-N135 WeakPolarHBondContact CE2-ND2 3.37Å; Y126-N135 VanDerWaalsContact CG-ND2 3.31Å
127	G	95.4	Very high	87.6	Confident	4 Å²	4	47.4 Å²	47.4	4%	0.041	24%	0.24	C	C	.	.			trans	-64.6	-15.4	-177	0	0	0	0	0	114.9	S102 C105 A107	S102-G127 WeakPolarHBondContact O-CA 3.48Å; S102-G127 PolarHBondContact O-N 2.95Å; C105-G127 CarbonylContact C-O 3.52Å; C105-G127 WeakPolarHBondContact CB-O 3Å; C105-G127 WeakPolarHBondContact O-CA 3.22Å; A107-G127 WeakPolarHBondContact CA-O 3.04Å; A107-G127 VanDerWaalsContact CB-O 3.22Å; A107-G127 WeakPolarHBondContact CB-O 3.15Å; A107-G127 PolarHBondContact N-O 2.76Å; A107-G127 VanDerWaalsContact O-CA 3.27Å; A107-G127 WeakPolarHBondContact O-CA 3.04Å
128	G	91.7	Very high	88.9	Confident	33 Å²	33	41.8 Å²	41.8	34%	0.34	22%	0.222	S	C	.	.	S	Bend	trans	99.7	-12.5	176.2	0	0	0	0	0	115.4	F109 Y126	F109-G128 VanDerWaalsContact CD2-CA 3.46Å; F109-G128 VanDerWaalsContact CE2-CA 3.5Å; Y126-G128 PolarHBondContact O-N 2.96Å
129	C	89.7	Confident	89.9	Confident	34 Å²	34	44.9 Å²	44.9	23%	0.23	23%	0.231	C	C	.	.	S	Bend	trans	-140.3	159.7	171.2	76.2	0	0	0	0	110.9	C105 Y126	C105-C129 HydrophobicContact CB-CB 3.84Å; C105-C129 WeakPolarHBondContact CB-SG 3.01Å; C105-C129 WeakPolarHBondContact SG-CB 3.4Å; C105-C129 CovalentContact SG-SG 2Å; C105-C129 PolarHBondContact SG-SG 3.47Å; Y126-C129 WeakPolarHBondContact CE2-O 3.48Å; Y126-C129 WeakPolarHBondContact OH-CA 3.09Å; Y126-C129 PolarHBondContact OH-N 2.85Å; Y126-C129 PolarHBondContact OH-O 2.54Å
130	E	83.9	Confident	90.8	Very high	84 Å²	84	51.3 Å²	51.3	39%	0.393	26%	0.258	S	S	.	.			trans	57.9	-147.4	-177.7	-50	-171.9	176.5	0	0	111.9	S63 P104 Y126	S63-E130 WeakPolarHBondContact OG-CG 3.5Å; S63-E130 PolarHBondContact OG-OE1 3.45Å; P104-E130 WeakPolarHBondContact CD-OE2 3.43Å; P104-E130 HydrophobicContact CG-CB 4.49Å; P104-E130 VanDerWaalsContact CG-CD 3.43Å; P104-E130 HydrophobicContact CG-CG 4.1Å; P104-E130 WeakPolarHBondContact CG-OE2 3.4Å; Y126-E130 WeakPolarHBondContact CE2-O 3.46Å; Y126-E130 PolarHBondContact OH-N 2.88Å; Y126-E130 PolarHBondContact OH-O 2.84Å
131	G	84.6	Confident	91.3	Very high	8 Å²	8	49.5 Å²	49.5	8%	0.082	25%	0.25	C	C	.	.			trans	77.4	164.5	-172.8	0	0	0	0	0	113.9	R79 D101	R79-G131 PolarHBondContact NH1-O 3.43Å; D101-G131 WeakPolarHBondContact OD2-CA 3.33Å
132	N	86.5	Confident	91.3	Very high	5 Å²	5	49.2 Å²	49.2	3%	0.027	25%	0.248	C	C	.	.			trans	-91.6	-172.4	-173.6	64.7	42.8	0	0	0	112.9	E60 R79 Q98 P99 D101 N134	E60-N132 WeakPolarHBondContact OE2-CA 3.28Å; E60-N132 WeakPolarHBondContact OE2-CB 3.43Å; R79-N132 PolarHBondContact NH2-O 3.36Å; Q98-N132 HydrophobicContact CB-CB 4.28Å; Q98-N132 HydrophobicContact CG-CB 4.37Å; P99-N132 PolarHBondContact O-ND2 3.21Å; P99-N132 PolarHBondContact O-OD1 2.86Å; D101-N132 WeakPolarHBondContact CB-ND2 3.13Å; N132-N134 VanDerWaalsContact C-N 3.31Å; N132-N134 WeakPolarHBondContact OD1-CA 3.17Å; N132-N134 VanDerWaalsContact OD1-CB 3.27Å; N132-N134 WeakPolarHBondContact OD1-CB 2.98Å; N132-N134 PolarHBondContact OD1-N 3.48Å
133	Q	86.6	Confident	90.9	Very high	23 Å²	23	48.6 Å²	48.6	11%	0.107	25%	0.247	C	C	.	.	S	Bend	trans	-79.9	-10.9	-177.3	-68.3	72.7	33.3	0	0	112.9	E83 A95 Q98 N135	E83-Q133 PolarHBondContact OE1-NE2 3.17Å; A95-Q133 HydrophobicContact CB-CB 3.3Å; A95-Q133 HydrophobicContact CB-CG 4.48Å; Q98-Q133 VanDerWaalsContact OE1-OE1 3.14Å; Q133-N135 PolarHBondContact O-N 3.19Å
134	N	91.1	Very high	90.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.246	C	C	.	.			trans	-75.8	51.7	173.5	-149	-4.8	0	0	0	112	A95 C96 Q98 F113 Y114 N132	A95-N134 WeakPolarHBondContact O-CB 2.97Å; A95-N134 VanDerWaalsContact O-CG 3.24Å; C96-N134 PolarHBondContact O-ND2 3.35Å; Q98-N134 HydrophobicContact CB-CB 4.24Å; Q98-N134 PolarHBondContact O-ND2 2.8Å; F113-N134 WeakPolarHBondContact CA-O 3.12Å; F113-N134 WeakPolarHBondContact CA-OD1 2.97Å; F113-N134 HydrophobicContact CB-CB 4.23Å; F113-N134 WeakPolarHBondContact CB-O 3.29Å; Y114-N134 PolarHBondContact N-OD1 2.81Å; Y114-N134 PolarHBondContact O-ND2 3.37Å; N132-N134 VanDerWaalsContact C-N 3.31Å; N132-N134 WeakPolarHBondContact OD1-CA 3.17Å; N132-N134 VanDerWaalsContact OD1-CB 3.27Å; N132-N134 WeakPolarHBondContact OD1-CB 2.98Å; N132-N134 PolarHBondContact OD1-N 3.48Å
135	N	93.6	Very high	89.3	Confident	23 Å²	23	51.5 Å²	51.5	12%	0.123	26%	0.261	C	S	.	.			trans	-145.2	87.1	-167.7	-173	-24.5	0	0	0	110.5	R111 F124 Y126 Q133	R111-N135 WeakPolarHBondContact CB-OD1 3.14Å; R111-N135 VanDerWaalsContact CD-OD1 3.26Å; R111-N135 WeakPolarHBondContact CD-OD1 3.45Å; R111-N135 WeakPolarHBondContact CG-OD1 2.9Å; R111-N135 PolarHBondContact NH1-OD1 2.04Å; F124-N135 HydrophobicContact CZ-CB 4.05Å; Y126-N135 WeakPolarHBondContact CD2-ND2 3.37Å; Y126-N135 WeakPolarHBondContact CE2-ND2 3.37Å; Y126-N135 VanDerWaalsContact CG-ND2 3.31Å; Q133-N135 PolarHBondContact O-N 3.19Å
136	F	94.3	Very high	88.4	Confident	15 Å²	15	47.1 Å²	47.1	7%	0.066	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-102.5	146	-175.1	-55	-80.4	0	0	0	111.4	R111 Y112 T138 E141 C142 N145 C146	R111-F136 CarbonylContact C-O 3.32Å; R111-F136 WeakPolarHBondContact CA-O 3.48Å; R111-F136 WeakPolarHBondContact CD-O 3.39Å; Y112-F136 PolarHBondContact N-O 2.8Å; Y112-F136 WeakPolarHBondContact O-CD2 3.36Å; Y112-F136 PolarHBondContact O-N 2.7Å; F136-T138 VanDerWaalsContact C-N 3.33Å; F136-E141 HydrophobicContact CB-CB 4.28Å; F136-E141 HydrophobicContact CB-CG 4.2Å; F136-E141 HydrophobicContact CD1-CG 3.83Å; F136-E141 HydrophobicContact CG-CG 4.44Å; F136-C142 HydrophobicContact CB-CB 3.74Å; F136-C142 HydrophobicContact CD2-CB 3.31Å; F136-C142 VanDerWaalsContact CD2-SG 3.52Å; F136-C142 HydrophobicContact CE2-CB 4.05Å; F136-C142 VanDerWaalsContact CG-CA 3.49Å; F136-C142 HydrophobicContact CG-CB 3.6Å; F136-N145 HydrophobicContact CD1-CB 4.42Å; F136-N145 HydrophobicContact CE1-CB 3.55Å; F136-N145 HydrophobicContact CZ-CB 3.79Å; F136-C146 WeakPolarHBondContact CE2-SG 3.35Å; F136-C146 WeakPolarHBondContact CZ-SG 3.01Å
137	K	94.7	Very high	87.2	Confident	151 Å²	151	47 Å²	47	66%	0.657	24%	0.24	S	C	*	.	S	Bend	trans	-72.8	-29.9	-179.6	-66.7	175.7	-178.9	170.1	0	111.9	E141	K137-E141 WeakPolarHBondContact CB-OE2 3.15Å; K137-E141 PolarHBondContact N-OE2 3.05Å
138	T	93.7	Very high	85.4	Confident	69 Å²	69	48.7 Å²	48.7	42%	0.423	25%	0.247	S	C	.	.	S	Bend	trans	-131.3	152.5	-179.7	71.2	0	0	0	0	111.6	F136 K140 E141 C142	F136-T138 VanDerWaalsContact C-N 3.33Å; T138-K140 PolarHBondContact O-N 2.79Å; T138-E141 PolarHBondContact N-OE2 3.21Å; T138-E141 PolarHBondContact O-N 2.9Å; T138-E141 VanDerWaalsContact OG1-CB 3.24Å; T138-E141 WeakPolarHBondContact OG1-CB 3.46Å; T138-E141 PolarHBondContact OG1-N 3.08Å; T138-C142 PolarHBondContact O-N 2.9Å; T138-C142 VanDerWaalsContact O-N 3.1Å
139	K	91	Very high	83.7	Confident	96 Å²	96	50.9 Å²	50.9	42%	0.417	25%	0.249	S	C	.	.	H	α-helix	trans	-57.2	-41	173.7	-164.9	-171.9	172.3	-172.8	0	111.4	Y112 C121 E141 C142 D143	Y112-K139 HydrophobicContact CD1-CB 3.67Å; Y112-K139 HydrophobicContact CD1-CG 3.89Å; Y112-K139 HydrophobicContact CD2-CB 4.43Å; Y112-K139 HydrophobicContact CE1-CB 3.57Å; Y112-K139 HydrophobicContact CE1-CG 4Å; Y112-K139 HydrophobicContact CE2-CB 4.35Å; Y112-K139 HydrophobicContact CG-CB 4.1Å; C121-K139 HydrophobicContact CB-CG 4.02Å; K139-E141 PolarHBondContact O-N 3.04Å; K139-C142 WeakPolarHBondContact O-CB 3.45Å; K139-C142 PolarHBondContact O-N 3.47Å; K139-D143 WeakPolarHBondContact O-CB 3.45Å; K139-D143 VanDerWaalsContact O-CG 3.3Å; K139-D143 PolarHBondContact O-N 3.09Å
140	K	85.5	Confident	82	Confident	139 Å²	139	51.1 Å²	51.1	60%	0.604	25%	0.251	S	S	*	.	H	α-helix	trans	-59	-46.8	178.2	-179.8	-179.4	170.7	-175.3	0	111.6	T138 C142 D143 E144	T138-K140 PolarHBondContact O-N 2.79Å; K140-C142 VanDerWaalsContact C-N 3.35Å; K140-C142 PolarHBondContact O-N 2.84Å; K140-D143 PolarHBondContact O-N 3.49Å; K140-E144 WeakPolarHBondContact CE-OE1 3.22Å; K140-E144 HydrophobicContact CG-CG 4.35Å; K140-E144 IonicContact NZ-OE1 3.22Å; K140-E144 WeakPolarHBondContact O-CB 3.27Å; K140-E144 VanDerWaalsContact O-CG 3.29Å; K140-E144 WeakPolarHBondContact O-CG 3.43Å; K140-E144 PolarHBondContact O-N 3.45Å
141	E	87	Confident	80.6	Confident	66 Å²	66	47.4 Å²	47.4	31%	0.308	23%	0.234	S	C	.	.	H	α-helix	trans	-61.2	-43.1	177	-176.4	-169.7	-178.7	0	0	111.3	F136 K137 T138 K139 N145	F136-E141 HydrophobicContact CB-CB 4.28Å; F136-E141 HydrophobicContact CB-CG 4.2Å; F136-E141 HydrophobicContact CD1-CG 3.83Å; F136-E141 HydrophobicContact CG-CG 4.44Å; K137-E141 WeakPolarHBondContact CB-OE2 3.15Å; K137-E141 PolarHBondContact N-OE2 3.05Å; T138-E141 PolarHBondContact N-OE2 3.21Å; T138-E141 PolarHBondContact O-N 2.9Å; T138-E141 VanDerWaalsContact OG1-CB 3.24Å; T138-E141 WeakPolarHBondContact OG1-CB 3.46Å; T138-E141 PolarHBondContact OG1-N 3.08Å; K139-E141 PolarHBondContact O-N 3.04Å; E141-N145 WeakPolarHBondContact O-CB 3.3Å; E141-N145 PolarHBondContact O-N 2.6Å; E141-N145 PolarHBondContact O-ND2 3.06Å
142	C	89.1	Confident	79.4	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-62.7	-47	173.3	179.5	0	0	0	0	111.8	F113 Y114 C121 F136 T138 K139 K140 E144 N145 C146	F113-C142 VanDerWaalsContact C-SG 3.55Å; Y114-C142 PolarHBondContact N-SG 3.27Å; Y114-C142 VanDerWaalsContact N-SG 3.43Å; C121-C142 HydrophobicContact CB-CB 3.52Å; C121-C142 WeakPolarHBondContact CB-SG 3.22Å; C121-C142 WeakPolarHBondContact SG-CB 3.31Å; C121-C142 PolarHBondContact SG-O 2.86Å; C121-C142 VanDerWaalsContact SG-O 3.42Å; C121-C142 CovalentContact SG-SG 2.02Å; C121-C142 PolarHBondContact SG-SG 3.34Å; F136-C142 HydrophobicContact CB-CB 3.74Å; F136-C142 HydrophobicContact CD2-CB 3.31Å; F136-C142 VanDerWaalsContact CD2-SG 3.52Å; F136-C142 HydrophobicContact CE2-CB 4.05Å; F136-C142 VanDerWaalsContact CG-CA 3.49Å; F136-C142 HydrophobicContact CG-CB 3.6Å; T138-C142 PolarHBondContact O-N 2.9Å; T138-C142 VanDerWaalsContact O-N 3.1Å; K139-C142 WeakPolarHBondContact O-CB 3.45Å; K139-C142 PolarHBondContact O-N 3.47Å; K140-C142 VanDerWaalsContact C-N 3.35Å; K140-C142 PolarHBondContact O-N 2.84Å; C142-E144 VanDerWaalsContact C-N 3.33Å; C142-E144 PolarHBondContact O-N 2.79Å; C142-N145 PolarHBondContact O-N 2.85Å; C142-C146 VanDerWaalsContact O-CB 3.22Å; C142-C146 WeakPolarHBondContact O-CB 3.41Å; C142-C146 PolarHBondContact O-N 2.74Å
143	D	83.6	Confident	77.9	Confident	48 Å²	48	52.4 Å²	52.4	26%	0.257	25%	0.253	S	S	.	.	I	π-helix	trans	-61.5	-44.7	-178.5	-73	-33.8	0	0	0	110	C121 K139 K140 N145 T147	C121-D143 VanDerWaalsContact CB-OD1 3.29Å; C121-D143 WeakPolarHBondContact CB-OD1 3.5Å; C121-D143 PolarHBondContact SG-N 2.76Å; C121-D143 PolarHBondContact SG-OD1 2.78Å; C121-D143 VanDerWaalsContact SG-OD1 3.34Å; K139-D143 WeakPolarHBondContact O-CB 3.45Å; K139-D143 VanDerWaalsContact O-CG 3.3Å; K139-D143 PolarHBondContact O-N 3.09Å; K140-D143 PolarHBondContact O-N 3.49Å; D143-N145 PolarHBondContact O-N 3.24Å; D143-T147 HydrophobicContact CB-CG2 4.18Å; D143-T147 WeakPolarHBondContact O-CB 3.28Å; D143-T147 PolarHBondContact O-N 2.83Å; D143-T147 PolarHBondContact O-OG1 2.86Å; D143-T147 WeakPolarHBondContact OD1-CG2 3.13Å
144	E	79.3	Confident	76.7	Confident	104 Å²	104	55.5 Å²	55.5	49%	0.486	28%	0.275	S	S	.	.	I	π-helix	trans	-62.9	-37.8	176	-74.3	175.1	164.3	0	0	112.7	K140 C142 I148	K140-E144 WeakPolarHBondContact CE-OE1 3.22Å; K140-E144 HydrophobicContact CG-CG 4.35Å; K140-E144 IonicContact NZ-OE1 3.22Å; K140-E144 WeakPolarHBondContact O-CB 3.27Å; K140-E144 VanDerWaalsContact O-CG 3.29Å; K140-E144 WeakPolarHBondContact O-CG 3.43Å; K140-E144 PolarHBondContact O-N 3.45Å; C142-E144 VanDerWaalsContact C-N 3.33Å; C142-E144 PolarHBondContact O-N 2.79Å; E144-I148 WeakPolarHBondContact O-CD1 3.21Å; E144-I148 WeakPolarHBondContact O-CG1 3.18Å
145	N	79.8	Confident	75.6	Confident	65 Å²	65	57 Å²	57	35%	0.348	28%	0.283	S	S	.	.	I	π-helix	trans	-82	-36.3	179.9	-75.8	-64.9	0	0	0	113.2	F136 E141 C142 D143	F136-N145 HydrophobicContact CD1-CB 4.42Å; F136-N145 HydrophobicContact CE1-CB 3.55Å; F136-N145 HydrophobicContact CZ-CB 3.79Å; E141-N145 WeakPolarHBondContact O-CB 3.3Å; E141-N145 PolarHBondContact O-N 2.6Å; E141-N145 PolarHBondContact O-ND2 3.06Å; C142-N145 PolarHBondContact O-N 2.85Å; D143-N145 PolarHBondContact O-N 3.24Å
146	C	78.9	Confident	74.9	Confident	4 Å²	4	56.8 Å²	56.8	3%	0.027	28%	0.283	C	S	.	.	I	π-helix	trans	-110.6	-41.8	-165.6	-63.5	0	0	0	0	115.4	C96 Y114 F136 C142 I148	C96-C146 HydrophobicContact CB-CB 3.53Å; C96-C146 WeakPolarHBondContact CB-SG 3.46Å; C96-C146 WeakPolarHBondContact SG-CA 3.24Å; C96-C146 WeakPolarHBondContact SG-CB 3.16Å; C96-C146 CovalentContact SG-SG 2Å; C96-C146 PolarHBondContact SG-SG 3.39Å; Y114-C146 WeakPolarHBondContact CB-SG 3.38Å; Y114-C146 HydrophobicContact CD1-CB 4.3Å; Y114-C146 HydrophobicContact CD2-CB 3.46Å; Y114-C146 VanDerWaalsContact CD2-CB 3.46Å; Y114-C146 HydrophobicContact CE2-CB 4.26Å; Y114-C146 HydrophobicContact CG-CB 3.46Å; Y114-C146 VanDerWaalsContact CG-CB 3.46Å; F136-C146 WeakPolarHBondContact CE2-SG 3.35Å; F136-C146 WeakPolarHBondContact CZ-SG 3.01Å; C142-C146 VanDerWaalsContact O-CB 3.22Å; C142-C146 WeakPolarHBondContact O-CB 3.41Å; C142-C146 PolarHBondContact O-N 2.74Å; C146-I148 PolarHBondContact O-N 3.19Å
147	T	70.6	Confident	74.5	Confident	17 Å²	17	56.3 Å²	56.3	10%	0.104	28%	0.282	C	S	.	.	I	π-helix	trans	-71.1	-28.2	-176.6	70.2	0	0	0	0	110.9	Y114 D143 Q149 S150 I151	Y114-T147 HydrophobicContact CD2-CG2 4.1Å; Y114-T147 HydrophobicContact CE2-CG2 3.93Å; D143-T147 HydrophobicContact CB-CG2 4.18Å; D143-T147 WeakPolarHBondContact O-CB 3.28Å; D143-T147 PolarHBondContact O-N 2.83Å; D143-T147 PolarHBondContact O-OG1 2.86Å; D143-T147 WeakPolarHBondContact OD1-CG2 3.13Å; T147-Q149 PolarHBondContact O-N 2.87Å; T147-S150 PolarHBondContact O-N 3.27Å; T147-S150 PolarHBondContact O-OG 3.5Å; T147-I151 VanDerWaalsContact O-CB 3.28Å; T147-I151 WeakPolarHBondContact O-CB 3.37Å; T147-I151 WeakPolarHBondContact O-CD1 3.49Å; T147-I151 WeakPolarHBondContact O-CG1 3.2Å; T147-I151 PolarHBondContact O-N 3.48Å; T147-I151 VanDerWaalsContact O-N 3.17Å
148	I	59	Low	73.9	Confident	38 Å²	38	52.9 Å²	52.9	20%	0.195	27%	0.268	C	S	.	.	H	α-helix	trans	-53.1	-34.3	-179.1	-66.9	-163.6	0	0	0	112.5	E144 C146 R152 V259	E144-I148 WeakPolarHBondContact O-CD1 3.21Å; E144-I148 WeakPolarHBondContact O-CG1 3.18Å; C146-I148 PolarHBondContact O-N 3.19Å; I148-R152 HydrophobicContact CG2-CG 4.48Å; I148-R152 WeakPolarHBondContact O-CB 3.31Å; I148-R152 VanDerWaalsContact O-CG 3.23Å; I148-R152 WeakPolarHBondContact O-CG 3.36Å; I148-R152 PolarHBondContact O-N 2.87Å; I148-V259 HydrophobicContact CB-CG2 4.29Å; I148-V259 HydrophobicContact CD1-CG1 4.4Å; I148-V259 HydrophobicContact CG1-CG1 4Å; I148-V259 HydrophobicContact CG1-CG2 4.15Å; I148-V259 HydrophobicContact CG2-CG2 4.16Å
149	Q	55.1	Low	73.4	Confident	79 Å²	79	51.9 Å²	51.9	37%	0.369	26%	0.26	S	S	.	.	H	α-helix	trans	-93.4	-33.9	-171.2	-50.2	-146.5	33.8	0	0	114.1	L93 T147 I151 R152	L93-Q149 HydrophobicContact CD2-CB 3.33Å; L93-Q149 HydrophobicContact CD2-CG 3.63Å; L93-Q149 HydrophobicContact CG-CB 4.43Å; L93-Q149 HydrophobicContact CG-CG 4.3Å; T147-Q149 PolarHBondContact O-N 2.87Å; Q149-I151 PolarHBondContact O-N 3.28Å; Q149-R152 PolarHBondContact O-N 3.4Å
150	S	53.8	Low	73.2	Confident	40 Å²	40	51.9 Å²	51.9	28%	0.28	27%	0.269	S	S	.	.	H	α-helix	trans	-66.2	-20.4	167.5	71.8	0	0	0	0	111.9	Y114 T147	Y114-S150 WeakPolarHBondContact OH-CB 3.38Å; Y114-S150 PolarHBondContact OH-OG 3.33Å; T147-S150 PolarHBondContact O-N 3.27Å; T147-S150 PolarHBondContact O-OG 3.5Å
151	I	55.8	Low	73.5	Confident	5 Å²	5	48.3 Å²	48.3	3%	0.026	26%	0.259	C	S	.	.	H	α-helix	trans	-84.8	-42.9	176.2	-71.5	165	0	0	0	111.4	T147 Q149 L231 L233 R257 V259	T147-I151 VanDerWaalsContact O-CB 3.28Å; T147-I151 WeakPolarHBondContact O-CB 3.37Å; T147-I151 WeakPolarHBondContact O-CD1 3.49Å; T147-I151 WeakPolarHBondContact O-CG1 3.2Å; T147-I151 PolarHBondContact O-N 3.48Å; T147-I151 VanDerWaalsContact O-N 3.17Å; Q149-I151 PolarHBondContact O-N 3.28Å; I151-L231 HydrophobicContact CD1-CD1 4.35Å; I151-L231 HydrophobicContact CG1-CD1 3.86Å; I151-L233 HydrophobicContact CB-CD1 4.26Å; I151-L233 HydrophobicContact CB-CD2 4.46Å; I151-L233 HydrophobicContact CD1-CD1 4.46Å; I151-L233 HydrophobicContact CD1-CD2 3.55Å; I151-L233 HydrophobicContact CG1-CD1 4.08Å; I151-L233 HydrophobicContact CG1-CD2 4.07Å; I151-L233 HydrophobicContact CG2-CD1 3.3Å; I151-L233 HydrophobicContact CG2-CD2 3.64Å; I151-L233 HydrophobicContact CG2-CG 4.14Å; I151-R257 HydrophobicContact CG2-CG 4.25Å; I151-R257 VanDerWaalsContact O-CZ 3.28Å; I151-R257 PolarHBondContact O-NE 2.03Å; I151-R257 PolarHBondContact O-NH2 3.2Å; I151-V259 HydrophobicContact CB-CG2 4.18Å; I151-V259 HydrophobicContact CG2-CG2 3.66Å
152	R	57.8	Low	73.8	Confident	92 Å²	92	49 Å²	49	35%	0.347	26%	0.263	S	S	.	.	S	Bend	trans	-70.5	136.9	-177.8	-78.4	174.1	-180	-172.6	6	110.8	I148 Q149 E263	I148-R152 HydrophobicContact CG2-CG 4.48Å; I148-R152 WeakPolarHBondContact O-CB 3.31Å; I148-R152 VanDerWaalsContact O-CG 3.23Å; I148-R152 WeakPolarHBondContact O-CG 3.36Å; I148-R152 PolarHBondContact O-N 2.87Å; Q149-R152 PolarHBondContact O-N 3.4Å; R152-E263 IonicContact CZ-OE1 3.78Å; R152-E263 IonicContact CZ-OE2 3.43Å; R152-E263 IonicContact NE-OE1 3.72Å; R152-E263 IonicContact NE-OE2 2.69Å; R152-E263 VanDerWaalsContact NH2-CD 3.28Å; R152-E263 IonicContact NH2-OE1 2.74Å; R152-E263 PolarHBondContact NH2-OE1 3.41Å; R152-E263 IonicContact NH2-OE2 2.77Å; R152-E263 PolarHBondContact NH2-OE2 3.09Å
153	P	55.9	Low	74.1	Confident	26 Å²	26	52.8 Å²	52.8	17%	0.169	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-53.4	138.4	166.8	-18.9	29.2	0	0	0	108.8	N155 A255	P153-N155 PolarHBondContact O-N 2.84Å; P153-A255 HydrophobicContact CG-CB 3.98Å
154	P	60.7	Low	74.6	Confident	89 Å²	89	51.6 Å²	51.6	58%	0.578	29%	0.285	S	S	*	.	P	Polyproline II helix	trans	-50.9	131.1	173.8	-24	31.4	0	0	0	109.1	P156 L159	P154-P156 WeakPolarHBondContact O-CD 3.19Å; P154-L159 HydrophobicContact CB-CD2 3.96Å
155	N	68.5	Low	75.3	Confident	30 Å²	30	50.6 Å²	50.6	16%	0.16	29%	0.287	C	S	.	.			trans	-57.5	115.3	175.2	-179.4	-2.1	0	0	0	107.7	P153 C157 E158	P153-N155 PolarHBondContact O-N 2.84Å; N155-C157 PolarHBondContact O-N 2.77Å; N155-C157 VanDerWaalsContact OD1-CB 3.28Å; N155-C157 WeakPolarHBondContact OD1-CB 3.35Å; N155-C157 PolarHBondContact OD1-N 3.29Å; N155-C157 VanDerWaalsContact OD1-N 3.08Å; N155-C157 PolarHBondContact OD1-SG 3.13Å; N155-E158 HydrophobicContact CB-CB 4.22Å; N155-E158 HydrophobicContact CB-CG 3.98Å; N155-E158 WeakPolarHBondContact CB-OE1 3.47Å; N155-E158 PolarHBondContact ND2-OE1 2.98Å; N155-E158 PolarHBondContact O-N 2.87Å
156	P	79.5	Confident	76.1	Confident	20 Å²	20	50.2 Å²	50.2	13%	0.13	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-52.2	-34.1	179.5	-30.1	38.7	0	0	0	112.5	P154 E158 L159 K194 N195 F197	P154-P156 WeakPolarHBondContact O-CD 3.19Å; P156-E158 PolarHBondContact O-N 3.23Å; P156-L159 PolarHBondContact O-N 3.35Å; P156-K194 HydrophobicContact CB-CB 3.65Å; P156-K194 HydrophobicContact CG-CB 3.85Å; P156-K194 HydrophobicContact CG-CD 4.25Å; P156-N195 WeakPolarHBondContact O-CB 3.22Å; P156-N195 VanDerWaalsContact O-CG 3.22Å; P156-F197 HydrophobicContact CB-CZ 4.31Å
157	C	84.6	Confident	76.9	Confident	4 Å²	4	59.9 Å²	59.9	3%	0.027	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-70.5	-11.9	-178.3	-47.3	0	0	0	0	113.6	N155 Y175 C207	N155-C157 PolarHBondContact O-N 2.77Å; N155-C157 VanDerWaalsContact OD1-CB 3.28Å; N155-C157 WeakPolarHBondContact OD1-CB 3.35Å; N155-C157 PolarHBondContact OD1-N 3.29Å; N155-C157 VanDerWaalsContact OD1-N 3.08Å; N155-C157 PolarHBondContact OD1-SG 3.13Å; C157-Y175 HydrophobicContact CB-CD1 3.87Å; C157-Y175 HydrophobicContact CB-CG 4.17Å; C157-Y175 WeakPolarHBondContact O-CD1 2.95Å; C157-C207 HydrophobicContact CB-CB 3.61Å; C157-C207 WeakPolarHBondContact CB-SG 3.49Å; C157-C207 WeakPolarHBondContact SG-CA 3.23Å; C157-C207 WeakPolarHBondContact SG-CB 3.38Å; C157-C207 CovalentContact SG-SG 2.02Å; C157-C207 PolarHBondContact SG-SG 2.78Å
158	E	81.8	Confident	78.1	Confident	80 Å²	80	61.3 Å²	61.3	37%	0.374	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-100.7	-10.9	178	-68.7	170.1	-142.5	0	0	113.3	N155 P156	N155-E158 HydrophobicContact CB-CB 4.22Å; N155-E158 HydrophobicContact CB-CG 3.98Å; N155-E158 WeakPolarHBondContact CB-OE1 3.47Å; N155-E158 PolarHBondContact ND2-OE1 2.98Å; N155-E158 PolarHBondContact O-N 2.87Å; P156-E158 PolarHBondContact O-N 3.23Å
159	L	83.4	Confident	79.9	Confident	47 Å²	47	64.8 Å²	64.8	25%	0.246	37%	0.367	C	S	.	.	S	Bend	trans	-72.9	146.8	178.9	-57.1	173.3	0	0	0	110.4	P154 P156 N193 K194 N195	P154-L159 HydrophobicContact CB-CD2 3.96Å; P156-L159 PolarHBondContact O-N 3.35Å; L159-N193 HydrophobicContact CD1-CB 4.05Å; L159-K194 HydrophobicContact CD1-CB 4.06Å; L159-N195 HydrophobicContact CB-CB 4.12Å; L159-N195 PolarHBondContact O-ND2 3.17Å
160	P	88.3	Confident	81.9	Confident	96 Å²	96	64.4 Å²	64.4	62%	0.623	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-63.6	159.2	173.7	28.6	-35.5	0	0	0	111	N193	P160-N193 PolarHBondContact O-ND2 3.08Å; P160-N193 PolarHBondContact O-OD1 3.2Å
161	V	91.8	Very high	84	Confident	64 Å²	64	67 Å²	67	39%	0.388	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-67.8	136.5	170.1	66.7	0	0	0	0	110	Y174 F185	V161-Y174 HydrophobicContact CB-CD1 4.49Å; V161-Y174 HydrophobicContact CB-CD2 3.99Å; V161-Y174 HydrophobicContact CB-CE2 4.18Å; V161-Y174 HydrophobicContact CB-CG 4.16Å; V161-Y174 HydrophobicContact CG2-CD1 4.11Å; V161-Y174 HydrophobicContact CG2-CD2 4.43Å; V161-Y174 HydrophobicContact CG2-CE1 4.45Å; V161-Y174 HydrophobicContact CG2-CG 4.09Å; V161-F185 HydrophobicContact CG2-CB 3.76Å; V161-F185 HydrophobicContact CG2-CD1 3.78Å; V161-F185 HydrophobicContact CG2-CD2 3.22Å; V161-F185 HydrophobicContact CG2-CE1 4.1Å; V161-F185 HydrophobicContact CG2-CE2 3.58Å; V161-F185 HydrophobicContact CG2-CG 3.31Å; V161-F185 HydrophobicContact CG2-CZ 3.99Å
162	E	93.3	Very high	86.1	Confident	82 Å²	82	69.6 Å²	69.6	38%	0.383	39%	0.391	S	S	.	.			trans	-133.3	111.8	-179.5	-173.8	172.8	-173	0	0	111.2	G164 F185 N193	E162-G164 VanDerWaalsContact C-N 3.35Å; E162-F185 WeakPolarHBondContact O-CE2 3.29Å; E162-N193 VanDerWaalsContact CB-ND2 3.32Å; E162-N193 WeakPolarHBondContact CB-ND2 3.4Å; E162-N193 WeakPolarHBondContact OE2-CB 3.43Å; E162-N193 PolarHBondContact OE2-N 3.26Å; E162-N193 PolarHBondContact OE2-ND2 3.17Å; E162-N193 VanDerWaalsContact OE2-ND2 3.16Å
163	V	95.7	Very high	87.9	Confident	79 Å²	79	68 Å²	68	48%	0.479	39%	0.385	S	S	.	.			trans	-69.3	-36.7	177.1	177.7	0	0	0	0	110.8	S186 Y187 G188	V163-S186 WeakPolarHBondContact CG1-O 3.15Å; V163-Y187 VanDerWaalsContact O-CD2 3.22Å; V163-Y187 WeakPolarHBondContact O-CD2 3.29Å; V163-Y187 WeakPolarHBondContact O-CE2 3.28Å; V163-G188 VanDerWaalsContact O-CA 3.25Å; V163-G188 WeakPolarHBondContact O-CA 3.27Å; V163-G188 PolarHBondContact O-N 2.86Å
164	G	93.7	Very high	89.8	Confident	23 Å²	23	68.7 Å²	68.7	24%	0.237	39%	0.385	C	S	.	.			trans	73.9	173.1	-173.5	0	0	0	0	0	113.6	E162 C190	E162-G164 VanDerWaalsContact C-N 3.35Å; G164-C190 WeakPolarHBondContact CA-O 3.18Å
165	P	92.5	Very high	91.3	Very high	82 Å²	82	66.7 Å²	66.7	53%	0.532	37%	0.366	S	S	.	.	S	Bend	trans	-87.2	-9.6	-170.3	34.5	-36	0	0	0	114.5	R191	P165-R191 HydrophobicContact CG-CB 4.49Å; P165-R191 HydrophobicContact CG-CG 4.35Å
166	C	96.9	Very high	92.3	Very high	57 Å²	57	67 Å²	67	39%	0.385	37%	0.367	S	S	.	.	S	Bend	trans	-73.9	158.5	177.1	-71.8	0	0	0	0	111.3	G188 C190	C166-G188 CarbonylContact C-O 3.58Å; C166-G188 WeakPolarHBondContact CB-O 3.01Å; C166-G188 CarbonylContact O-C 3.09Å; C166-G188 WeakPolarHBondContact O-CA 3.05Å; C166-C190 HydrophobicContact CB-CB 3.83Å; C166-C190 WeakPolarHBondContact CB-SG 3.18Å; C166-C190 WeakPolarHBondContact SG-CB 3.48Å; C166-C190 CovalentContact SG-SG 2.02Å; C166-C190 PolarHBondContact SG-SG 2.85Å
167	K	95.6	Very high	92.5	Very high	208 Å²	208	72.6 Å²	72.6	90%	0.904	39%	0.386	S	S	*	.			trans	-104.5	15.6	-169.2	-59.4	-176.5	179.9	-179.5	0	114.4	G188	K167-G188 PolarHBondContact N-O 3.26Å
168	A	96.6	Very high	92.4	Very high	47 Å²	47	77.1 Å²	77.1	39%	0.388	42%	0.423	S	S	.	.			trans	-71.3	165	171.4	0	0	0	0	0	110.2	L170 G188	A168-L170 HydrophobicContact CB-CD1 4.45Å; A168-L170 HydrophobicContact CB-CD2 4.39Å; A168-L170 HydrophobicContact CB-CG 3.99Å; A168-G188 WeakPolarHBondContact CA-O 3.37Å; A168-G188 VanDerWaalsContact CB-O 3.22Å; A168-G188 WeakPolarHBondContact CB-O 3.45Å; A168-G188 PolarHBondContact N-O 3.46Å; A168-G188 WeakPolarHBondContact O-CA 3.14Å
169	T	96.8	Very high	92.7	Very high	110 Å²	110	75.3 Å²	75.3	68%	0.675	42%	0.42	S	S	*	.			trans	-127.3	77.3	172.7	-55.7	0	0	0	0	107.6
170	L	97.5	Very high	92.7	Very high	71 Å²	71	80.9 Å²	80.9	37%	0.372	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	118.3	-179.2	-55.5	179.9	0	0	0	108.9	A168 R172 Y187	A168-L170 HydrophobicContact CB-CD1 4.45Å; A168-L170 HydrophobicContact CB-CD2 4.39Å; A168-L170 HydrophobicContact CB-CG 3.99Å; L170-R172 HydrophobicContact CB-CG 4.45Å; L170-R172 PolarHBondContact O-N 3.36Å; L170-Y187 HydrophobicContact CD1-CD1 4.24Å; L170-Y187 PolarHBondContact N-O 3.37Å; L170-Y187 PolarHBondContact O-N 3.35Å
171	T	98.1	Very high	92.8	Very high	96 Å²	96	84.9 Å²	84.9	59%	0.589	45%	0.445	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.9	120.3	171.6	-55.3	0	0	0	0	109.2	T184	T171-T184 HydrophobicContact CG2-CG2 3.99Å
172	R	98.2	Very high	92.9	Very high	58 Å²	58	82.2 Å²	82.2	22%	0.219	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	162.3	178	-65.6	-64.5	-179.5	84.6	-5.7	109.6	L170 T184 F185 Y187 N196 F197	L170-R172 HydrophobicContact CB-CG 4.45Å; L170-R172 PolarHBondContact O-N 3.36Å; R172-T184 CarbonylContact O-C 3.52Å; R172-T184 WeakPolarHBondContact O-CA 3.29Å; R172-F185 HydrophobicContact CB-CD1 3.95Å; R172-F185 HydrophobicContact CB-CE1 3.46Å; R172-F185 VanDerWaalsContact CB-CE1 3.46Å; R172-F185 HydrophobicContact CB-CZ 3.91Å; R172-F185 PolarHBondContact N-O 3Å; R172-F185 WeakPolarHBondContact O-CD1 3.4Å; R172-F185 PolarHBondContact O-N 2.9Å; R172-Y187 HydrophobicContact CG-CD1 4.11Å; R172-Y187 HydrophobicContact CG-CG 4.18Å; R172-N196 WeakPolarHBondContact CB-OD1 3.49Å; R172-N196 WeakPolarHBondContact CD-OD1 3.29Å; R172-N196 WeakPolarHBondContact CG-OD1 3.39Å; R172-N196 PolarHBondContact NH1-OD1 3.4Å; R172-F197 WeakPolarHBondContact CA-O 2.88Å
173	Y	97.5	Very high	93.1	Very high	59 Å²	59	81.2 Å²	81.2	23%	0.231	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	143.2	176.2	-67.6	-94.1	0	0	0	110.4	E183 T184 F197 T199 K200	Y173-E183 CarbonylContact C-O 3.57Å; Y173-E183 WeakPolarHBondContact CA-O 3.3Å; Y173-T184 HydrophobicContact CD1-CG2 3.76Å; Y173-T184 HydrophobicContact CE1-CG2 3.34Å; Y173-T184 HydrophobicContact CE2-CG2 4.28Å; Y173-T184 HydrophobicContact CG-CG2 4.39Å; Y173-F197 PolarHBondContact N-O 3.38Å; Y173-F197 WeakPolarHBondContact O-CD2 3.23Å; Y173-F197 PolarHBondContact O-N 2Å; Y173-T199 VanDerWaalsContact CD2-C 3.42Å; Y173-K200 HydrophobicContact CD1-CB 3.72Å; Y173-K200 HydrophobicContact CD1-CD 4.48Å; Y173-K200 HydrophobicContact CD1-CG 3.9Å; Y173-K200 HydrophobicContact CD2-CB 4.45Å; Y173-K200 VanDerWaalsContact CD2-N 3.3Å; Y173-K200 HydrophobicContact CE1-CB 3.49Å; Y173-K200 VanDerWaalsContact CE1-CB 3.49Å; Y173-K200 HydrophobicContact CE1-CD 3.98Å; Y173-K200 HydrophobicContact CE1-CG 3.8Å; Y173-K200 HydrophobicContact CE2-CB 4.27Å; Y173-K200 HydrophobicContact CG-CB 4.2Å
174	Y	94.7	Very high	93.2	Very high	41 Å²	41	81.4 Å²	81.4	16%	0.161	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	153.8	170.1	80.3	-76.2	0	0	0	109.3	V161 N176 C182 E183 F185 N195	V161-Y174 HydrophobicContact CB-CD1 4.49Å; V161-Y174 HydrophobicContact CB-CD2 3.99Å; V161-Y174 HydrophobicContact CB-CE2 4.18Å; V161-Y174 HydrophobicContact CB-CG 4.16Å; V161-Y174 HydrophobicContact CG2-CD1 4.11Å; V161-Y174 HydrophobicContact CG2-CD2 4.43Å; V161-Y174 HydrophobicContact CG2-CE1 4.45Å; V161-Y174 HydrophobicContact CG2-CG 4.09Å; Y174-N176 HydrophobicContact CE2-CB 3.78Å; Y174-N176 PolarHBondContact OH-ND2 2.83Å; Y174-C182 CarbonylContact O-C 3.42Å; Y174-C182 VanDerWaalsContact O-CA 3.3Å; Y174-C182 WeakPolarHBondContact O-CA 3.12Å; Y174-E183 HydrophobicContact CD1-CB 4.32Å; Y174-E183 WeakPolarHBondContact CD1-O 3.15Å; Y174-E183 HydrophobicContact CE1-CB 3.79Å; Y174-E183 PolarHBondContact N-O 2.8Å; Y174-E183 PolarHBondContact O-N 3.34Å; Y174-E183 PolarHBondContact OH-OE2 3.18Å; Y174-F185 HydrophobicContact CD1-CB 4.08Å; Y174-F185 AromaticContact CD1-CD1 3.75Å; Y174-F185 HydrophobicContact CD1-CD1 3.75Å; Y174-F185 HydrophobicContact CD1-CG 4.22Å; Y174-F185 HydrophobicContact CE1-CB 4.24Å; Y174-F185 HydrophobicContact CG-CD1 4.26Å; Y174-N195 WeakPolarHBondContact CA-OD1 3.22Å; Y174-N195 WeakPolarHBondContact CB-O 2.95Å
175	Y	91.9	Very high	93.4	Very high	47 Å²	47	81.4 Å²	81.4	18%	0.184	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	116.3	172.7	-174.2	-103.9	0	0	0	109.9	C157 R177 N195 C207	C157-Y175 HydrophobicContact CB-CD1 3.87Å; C157-Y175 HydrophobicContact CB-CG 4.17Å; C157-Y175 WeakPolarHBondContact O-CD1 2.95Å; Y175-R177 HydrophobicContact CD1-CG 4.24Å; Y175-R177 HydrophobicContact CE1-CG 4.23Å; Y175-N195 PolarHBondContact N-OD1 3.26Å; Y175-N195 PolarHBondContact O-ND2 2.87Å; Y175-C207 VanDerWaalsContact CB-SG 3.57Å; Y175-C207 HydrophobicContact CD1-CB 4.16Å; Y175-C207 HydrophobicContact CD2-CB 3.38Å; Y175-C207 HydrophobicContact CE2-CB 3.99Å; Y175-C207 HydrophobicContact CG-CB 3.47Å; Y175-C207 VanDerWaalsContact CG-CB 3.47Å
176	N	89.3	Confident	93.6	Very high	35 Å²	35	80.7 Å²	80.7	19%	0.187	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	115	173	-177.6	-27.9	0	0	0	109	Y174 A178 S179 K180 R181 E183	Y174-N176 HydrophobicContact CE2-CB 3.78Å; Y174-N176 PolarHBondContact OH-ND2 2.83Å; N176-A178 WeakPolarHBondContact OD1-CB 3.42Å; N176-A178 PolarHBondContact OD1-N 3.27Å; N176-S179 WeakPolarHBondContact CB-OG 3.35Å; N176-S179 PolarHBondContact OD1-N 3.19Å; N176-K180 VanDerWaalsContact O-CA 3.24Å; N176-K180 WeakPolarHBondContact O-CA 3.26Å; N176-K180 PolarHBondContact O-N 3.33Å; N176-R181 PolarHBondContact N-O 3.42Å; N176-R181 PolarHBondContact O-N 2.02Å; N176-E183 HydrophobicContact CB-CG 4.25Å; N176-E183 PolarHBondContact ND2-OE1 3.2Å; N176-E183 PolarHBondContact ND2-OE2 2.74Å
177	R	84.8	Confident	93.7	Very high	139 Å²	139	79.1 Å²	79.1	53%	0.525	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-34.8	-179.2	-66.4	-176.9	70.2	174.2	0.7	113.3	Y175 K180	Y175-R177 HydrophobicContact CD1-CG 4.24Å; Y175-R177 HydrophobicContact CE1-CG 4.23Å; R177-K180 PolarHBondContact O-N 2.99Å
178	A	81.3	Confident	93.7	Very high	98 Å²	98	69.2 Å²	69.2	81%	0.81	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-43.4	-178.2	0	0	0	0	0	110.8	N176	N176-A178 WeakPolarHBondContact OD1-CB 3.42Å; N176-A178 PolarHBondContact OD1-N 3.27Å
179	S	88.9	Confident	93.7	Very high	42 Å²	42	68.7 Å²	68.7	29%	0.294	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-11.9	177.7	69.2	0	0	0	0	113.8	N176 R181 E183	N176-S179 WeakPolarHBondContact CB-OG 3.35Å; N176-S179 PolarHBondContact OD1-N 3.19Å; S179-R181 WeakPolarHBondContact O-CG 3.49Å; S179-R181 PolarHBondContact O-N 3.43Å; S179-R181 PolarHBondContact OG-N 3.3Å; S179-E183 VanDerWaalsContact CB-OE1 3.22Å; S179-E183 WeakPolarHBondContact CB-OE1 3.46Å; S179-E183 PolarHBondContact OG-OE1 2.77Å
180	K	83.7	Confident	93.6	Very high	164 Å²	164	65 Å²	65	71%	0.713	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	37.9	-170.9	-58.3	-176.3	178.4	-176.1	0	112.4	N176 R177	N176-K180 VanDerWaalsContact O-CA 3.24Å; N176-K180 WeakPolarHBondContact O-CA 3.26Å; N176-K180 PolarHBondContact O-N 3.33Å; R177-K180 PolarHBondContact O-N 2.99Å
181	R	90.6	Very high	93.1	Very high	180 Å²	180	70.6 Å²	70.6	68%	0.679	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.1	151.2	-175.3	-69.9	169.9	-176.5	-169.2	1.1	111.6	N176 S179 E183	N176-R181 PolarHBondContact N-O 3.42Å; N176-R181 PolarHBondContact O-N 2.02Å; S179-R181 WeakPolarHBondContact O-CG 3.49Å; S179-R181 PolarHBondContact O-N 3.43Å; S179-R181 PolarHBondContact OG-N 3.3Å; R181-E183 HydrophobicContact CB-CG 4.4Å; R181-E183 PolarHBondContact O-N 2.75Å
182	C	93.8	Very high	92.6	Very high	9 Å²	9	67.2 Å²	67.2	6%	0.061	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	113.6	165	-69.8	0	0	0	0	109.9	Y174 K200 C203 K204	Y174-C182 CarbonylContact O-C 3.42Å; Y174-C182 VanDerWaalsContact O-CA 3.3Å; Y174-C182 WeakPolarHBondContact O-CA 3.12Å; C182-K200 HydrophobicContact CB-CG 4.15Å; C182-C203 HydrophobicContact CB-CB 3.74Å; C182-C203 WeakPolarHBondContact CB-SG 3.37Å; C182-C203 WeakPolarHBondContact SG-CB 3.41Å; C182-C203 CovalentContact SG-SG 2.04Å; C182-C203 PolarHBondContact SG-SG 2.79Å; C182-K204 HydrophobicContact CB-CG 4.32Å; C182-K204 PolarHBondContact SG-N 2.88Å
183	E	96.7	Very high	92.2	Very high	61 Å²	61	66.1 Å²	66.1	29%	0.285	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	160.8	-177	-69.2	174.6	-170.2	0	0	110.2	Y173 Y174 N176 S179 R181	Y173-E183 CarbonylContact C-O 3.57Å; Y173-E183 WeakPolarHBondContact CA-O 3.3Å; Y174-E183 HydrophobicContact CD1-CB 4.32Å; Y174-E183 WeakPolarHBondContact CD1-O 3.15Å; Y174-E183 HydrophobicContact CE1-CB 3.79Å; Y174-E183 PolarHBondContact N-O 2.8Å; Y174-E183 PolarHBondContact O-N 3.34Å; Y174-E183 PolarHBondContact OH-OE2 3.18Å; N176-E183 HydrophobicContact CB-CG 4.25Å; N176-E183 PolarHBondContact ND2-OE1 3.2Å; N176-E183 PolarHBondContact ND2-OE2 2.74Å; S179-E183 VanDerWaalsContact CB-OE1 3.22Å; S179-E183 WeakPolarHBondContact CB-OE1 3.46Å; S179-E183 PolarHBondContact OG-OE1 2.77Å; R181-E183 HydrophobicContact CB-CG 4.4Å; R181-E183 PolarHBondContact O-N 2.75Å
184	T	97.7	Very high	91.8	Very high	82 Å²	82	69.1 Å²	69.1	50%	0.503	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	147.1	179.5	50.7	0	0	0	0	111.9	T171 R172 Y173	T171-T184 HydrophobicContact CG2-CG2 3.99Å; R172-T184 CarbonylContact O-C 3.52Å; R172-T184 WeakPolarHBondContact O-CA 3.29Å; Y173-T184 HydrophobicContact CD1-CG2 3.76Å; Y173-T184 HydrophobicContact CE1-CG2 3.34Å; Y173-T184 HydrophobicContact CE2-CG2 4.28Å; Y173-T184 HydrophobicContact CG-CG2 4.39Å
185	F	97.8	Very high	91.7	Very high	23 Å²	23	67.3 Å²	67.3	10%	0.101	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	164.3	167.8	77.6	-73	0	0	0	111.1	V161 E162 R172 Y174 Y187 N196	V161-F185 HydrophobicContact CG2-CB 3.76Å; V161-F185 HydrophobicContact CG2-CD1 3.78Å; V161-F185 HydrophobicContact CG2-CD2 3.22Å; V161-F185 HydrophobicContact CG2-CE1 4.1Å; V161-F185 HydrophobicContact CG2-CE2 3.58Å; V161-F185 HydrophobicContact CG2-CG 3.31Å; V161-F185 HydrophobicContact CG2-CZ 3.99Å; E162-F185 WeakPolarHBondContact O-CE2 3.29Å; R172-F185 HydrophobicContact CB-CD1 3.95Å; R172-F185 HydrophobicContact CB-CE1 3.46Å; R172-F185 VanDerWaalsContact CB-CE1 3.46Å; R172-F185 HydrophobicContact CB-CZ 3.91Å; R172-F185 PolarHBondContact N-O 3Å; R172-F185 WeakPolarHBondContact O-CD1 3.4Å; R172-F185 PolarHBondContact O-N 2.9Å; Y174-F185 HydrophobicContact CD1-CB 4.08Å; Y174-F185 AromaticContact CD1-CD1 3.75Å; Y174-F185 HydrophobicContact CD1-CD1 3.75Å; Y174-F185 HydrophobicContact CD1-CG 4.22Å; Y174-F185 HydrophobicContact CE1-CB 4.24Å; Y174-F185 HydrophobicContact CG-CD1 4.26Å; F185-Y187 HydrophobicContact CE2-CD2 4.28Å; F185-Y187 HydrophobicContact CE2-CG 4.45Å; F185-N196 HydrophobicContact CE1-CB 4.38Å; F185-N196 HydrophobicContact CZ-CB 3.98Å
186	S	97.8	Very high	91.8	Very high	68 Å²	68	66.3 Å²	66.3	48%	0.476	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	104	176.6	-66.1	0	0	0	0	110	V163	V163-S186 WeakPolarHBondContact CG1-O 3.15Å
187	Y	97.9	Very high	92.1	Very high	23 Å²	23	65.8 Å²	65.8	9%	0.09	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	129.8	176.7	177.7	-131.4	0	0	0	111.1	V163 L170 R172 F185 G189 C190 R191 G192 N196	V163-Y187 VanDerWaalsContact O-CD2 3.22Å; V163-Y187 WeakPolarHBondContact O-CD2 3.29Å; V163-Y187 WeakPolarHBondContact O-CE2 3.28Å; L170-Y187 HydrophobicContact CD1-CD1 4.24Å; L170-Y187 PolarHBondContact N-O 3.37Å; L170-Y187 PolarHBondContact O-N 3.35Å; R172-Y187 HydrophobicContact CG-CD1 4.11Å; R172-Y187 HydrophobicContact CG-CG 4.18Å; F185-Y187 HydrophobicContact CE2-CD2 4.28Å; F185-Y187 HydrophobicContact CE2-CG 4.45Å; Y187-G189 VanDerWaalsContact CE1-C 3.48Å; Y187-G189 VanDerWaalsContact CE1-CA 3.42Å; Y187-G189 VanDerWaalsContact CZ-C 3.46Å; Y187-G189 PolarHBondContact O-N 2.83Å; Y187-C190 VanDerWaalsContact CZ-N 3.35Å; Y187-C190 WeakPolarHBondContact OH-CA 2.98Å; Y187-C190 PolarHBondContact OH-N 2.89Å; Y187-R191 PolarHBondContact OH-N 2.9Å; Y187-G192 PolarHBondContact OH-N 2.94Å; Y187-G192 VanDerWaalsContact OH-N 3.12Å; Y187-N196 WeakPolarHBondContact CD1-ND2 2.94Å; Y187-N196 WeakPolarHBondContact CD2-ND2 3.19Å; Y187-N196 WeakPolarHBondContact CE2-ND2 3.35Å
188	G	96.9	Very high	92.6	Very high	1 Å²	1	65.9 Å²	65.9	1%	0.01	34%	0.343	C	S	.	.			trans	-66.1	-13.7	179.3	0	0	0	0	0	114.3	V163 C166 K167 A168	V163-G188 VanDerWaalsContact O-CA 3.25Å; V163-G188 WeakPolarHBondContact O-CA 3.27Å; V163-G188 PolarHBondContact O-N 2.86Å; C166-G188 CarbonylContact C-O 3.58Å; C166-G188 WeakPolarHBondContact CB-O 3.01Å; C166-G188 CarbonylContact O-C 3.09Å; C166-G188 WeakPolarHBondContact O-CA 3.05Å; K167-G188 PolarHBondContact N-O 3.26Å; A168-G188 WeakPolarHBondContact CA-O 3.37Å; A168-G188 VanDerWaalsContact CB-O 3.22Å; A168-G188 WeakPolarHBondContact CB-O 3.45Å; A168-G188 PolarHBondContact N-O 3.46Å; A168-G188 WeakPolarHBondContact O-CA 3.14Å
189	G	94.8	Very high	93.3	Very high	35 Å²	35	63.8 Å²	63.8	36%	0.361	32%	0.32	S	S	.	.	S	Bend	trans	99.3	-8.4	174.6	0	0	0	0	0	115.1	Y187	Y187-G189 VanDerWaalsContact CE1-C 3.48Å; Y187-G189 VanDerWaalsContact CE1-CA 3.42Å; Y187-G189 VanDerWaalsContact CZ-C 3.46Å; Y187-G189 PolarHBondContact O-N 2.83Å
190	C	94.8	Very high	93.6	Very high	32 Å²	32	66.5 Å²	66.5	22%	0.216	33%	0.327	C	S	.	.	S	Bend	trans	-148.3	157.9	173.3	76.1	0	0	0	0	112.2	G164 C166 Y187 G192	G164-C190 WeakPolarHBondContact CA-O 3.18Å; C166-C190 HydrophobicContact CB-CB 3.83Å; C166-C190 WeakPolarHBondContact CB-SG 3.18Å; C166-C190 WeakPolarHBondContact SG-CB 3.48Å; C166-C190 CovalentContact SG-SG 2.02Å; C166-C190 PolarHBondContact SG-SG 2.85Å; Y187-C190 VanDerWaalsContact CZ-N 3.35Å; Y187-C190 WeakPolarHBondContact OH-CA 2.98Å; Y187-C190 PolarHBondContact OH-N 2.89Å; C190-G192 PolarHBondContact O-N 3.3Å
191	R	88	Confident	93.9	Very high	190 Å²	190	62 Å²	62	72%	0.717	32%	0.32	S	S	*	.	S	Bend	trans	51.1	36.8	177.4	-49.1	-174.1	-175.4	173.4	-3.3	114.1	P165 Y187	P165-R191 HydrophobicContact CG-CB 4.49Å; P165-R191 HydrophobicContact CG-CG 4.35Å; Y187-R191 PolarHBondContact OH-N 2.9Å
192	G	88.3	Confident	93.8	Very high	25 Å²	25	57.5 Å²	57.5	26%	0.258	31%	0.307	S	S	.	.			trans	-81.7	158	161.9	0	0	0	0	0	109.9	Y187 C190	Y187-G192 PolarHBondContact OH-N 2.94Å; Y187-G192 VanDerWaalsContact OH-N 3.12Å; C190-G192 PolarHBondContact O-N 3.3Å
193	N	89.5	Confident	93.7	Very high	35 Å²	35	57 Å²	57	19%	0.187	30%	0.304	C	S	.	.			trans	-84.6	-174	170	66.4	55	0	0	0	112.2	L159 P160 E162 N195 N196	L159-N193 HydrophobicContact CD1-CB 4.05Å; P160-N193 PolarHBondContact O-ND2 3.08Å; P160-N193 PolarHBondContact O-OD1 3.2Å; E162-N193 VanDerWaalsContact CB-ND2 3.32Å; E162-N193 WeakPolarHBondContact CB-ND2 3.4Å; E162-N193 WeakPolarHBondContact OE2-CB 3.43Å; E162-N193 PolarHBondContact OE2-N 3.26Å; E162-N193 PolarHBondContact OE2-ND2 3.17Å; E162-N193 VanDerWaalsContact OE2-ND2 3.16Å; N193-N195 VanDerWaalsContact C-N 3.3Å; N193-N195 PolarHBondContact O-N 3.2Å; N193-N195 WeakPolarHBondContact OD1-CB 3.43Å; N193-N195 PolarHBondContact OD1-N 3.32Å; N193-N196 VanDerWaalsContact O-CB 3.24Å; N193-N196 WeakPolarHBondContact O-CB 3.47Å
194	K	87.6	Confident	93.3	Very high	122 Å²	122	59.9 Å²	59.9	53%	0.53	32%	0.316	S	S	.	.	S	Bend	trans	-74.9	-10.1	-174.4	-62.5	-173.2	178.5	-177.8	0	114.5	P156 L159 N196	P156-K194 HydrophobicContact CB-CB 3.65Å; P156-K194 HydrophobicContact CG-CB 3.85Å; P156-K194 HydrophobicContact CG-CD 4.25Å; L159-K194 HydrophobicContact CD1-CB 4.06Å; K194-N196 PolarHBondContact O-N 2.95Å
195	N	93.4	Very high	92.6	Very high	2 Å²	2	63.6 Å²	63.6	1%	0.011	33%	0.325	C	S	.	.	S	Bend	trans	-78	51.7	170.2	-153.3	0.4	0	0	0	110.9	P156 L159 Y174 Y175 N193	P156-N195 WeakPolarHBondContact O-CB 3.22Å; P156-N195 VanDerWaalsContact O-CG 3.22Å; L159-N195 HydrophobicContact CB-CB 4.12Å; L159-N195 PolarHBondContact O-ND2 3.17Å; Y174-N195 WeakPolarHBondContact CA-OD1 3.22Å; Y174-N195 WeakPolarHBondContact CB-O 2.95Å; Y175-N195 PolarHBondContact N-OD1 3.26Å; Y175-N195 PolarHBondContact O-ND2 2.87Å; N193-N195 VanDerWaalsContact C-N 3.3Å; N193-N195 PolarHBondContact O-N 3.2Å; N193-N195 WeakPolarHBondContact OD1-CB 3.43Å; N193-N195 PolarHBondContact OD1-N 3.32Å
196	N	95.1	Very high	91.8	Very high	27 Å²	27	64.2 Å²	64.2	14%	0.144	33%	0.328	C	S	.	.			trans	-147.8	95.9	-170.8	-176.1	-25.5	0	0	0	108.2	R172 F185 Y187 N193 K194	R172-N196 WeakPolarHBondContact CB-OD1 3.49Å; R172-N196 WeakPolarHBondContact CD-OD1 3.29Å; R172-N196 WeakPolarHBondContact CG-OD1 3.39Å; R172-N196 PolarHBondContact NH1-OD1 3.4Å; F185-N196 HydrophobicContact CE1-CB 4.38Å; F185-N196 HydrophobicContact CZ-CB 3.98Å; Y187-N196 WeakPolarHBondContact CD1-ND2 2.94Å; Y187-N196 WeakPolarHBondContact CD2-ND2 3.19Å; Y187-N196 WeakPolarHBondContact CE2-ND2 3.35Å; N193-N196 VanDerWaalsContact O-CB 3.24Å; N193-N196 WeakPolarHBondContact O-CB 3.47Å; K194-N196 PolarHBondContact O-N 2.95Å
197	F	95.3	Very high	91.1	Very high	24 Å²	24	61.4 Å²	61.4	11%	0.105	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-109.6	144	-175.8	-54.6	-81.7	0	0	0	109.9	P156 R172 Y173 E202 C203 Q206	P156-F197 HydrophobicContact CB-CZ 4.31Å; R172-F197 WeakPolarHBondContact CA-O 2.88Å; Y173-F197 PolarHBondContact N-O 3.38Å; Y173-F197 WeakPolarHBondContact O-CD2 3.23Å; Y173-F197 PolarHBondContact O-N 2Å; F197-E202 HydrophobicContact CB-CB 4.22Å; F197-E202 HydrophobicContact CD1-CB 4.26Å; F197-C203 HydrophobicContact CB-CB 3.88Å; F197-C203 HydrophobicContact CD2-CB 3.42Å; F197-C203 VanDerWaalsContact CD2-CB 3.42Å; F197-C203 HydrophobicContact CE2-CB 4.08Å; F197-C203 HydrophobicContact CG-CB 3.69Å; F197-Q206 HydrophobicContact CE1-CB 3.81Å; F197-Q206 HydrophobicContact CE1-CG 3.87Å; F197-Q206 HydrophobicContact CZ-CB 3.99Å; F197-Q206 HydrophobicContact CZ-CG 3.89Å
198	E	95.2	Very high	89.8	Confident	140 Å²	140	62.9 Å²	62.9	65%	0.654	33%	0.331	S	S	*	.	S	Bend	trans	-73.2	-35.7	178.9	-172.7	166.3	-165.2	0	0	110.7	E202	E198-E202 PolarHBondContact N-OE2 3.32Å
199	T	95.4	Very high	87.9	Confident	54 Å²	54	71 Å²	71	33%	0.331	37%	0.365	S	S	.	.	S	Bend	trans	-123.5	153.1	179.9	73.4	0	0	0	0	113.8	Y173 A201 E202 C203	Y173-T199 VanDerWaalsContact CD2-C 3.42Å; T199-A201 PolarHBondContact O-N 3.46Å; T199-E202 PolarHBondContact N-OE2 3.48Å; T199-E202 PolarHBondContact O-N 3.32Å; T199-E202 VanDerWaalsContact OG1-CG 3.27Å; T199-E202 WeakPolarHBondContact OG1-CG 3.38Å; T199-E202 PolarHBondContact OG1-N 2.92Å; T199-E202 PolarHBondContact OG1-OE1 3.3Å; T199-C203 PolarHBondContact O-N 2.81Å
200	K	94.5	Very high	85.6	Confident	99 Å²	99	77 Å²	77	43%	0.43	39%	0.39	S	S	.	.	H	α-helix	trans	-59.8	-33.8	173.1	-163.9	172.3	-171.6	168.7	0	112.1	Y173 C182 K204	Y173-K200 HydrophobicContact CD1-CB 3.72Å; Y173-K200 HydrophobicContact CD1-CD 4.48Å; Y173-K200 HydrophobicContact CD1-CG 3.9Å; Y173-K200 HydrophobicContact CD2-CB 4.45Å; Y173-K200 VanDerWaalsContact CD2-N 3.3Å; Y173-K200 HydrophobicContact CE1-CB 3.49Å; Y173-K200 VanDerWaalsContact CE1-CB 3.49Å; Y173-K200 HydrophobicContact CE1-CD 3.98Å; Y173-K200 HydrophobicContact CE1-CG 3.8Å; Y173-K200 HydrophobicContact CE2-CB 4.27Å; Y173-K200 HydrophobicContact CG-CB 4.2Å; C182-K200 HydrophobicContact CB-CG 4.15Å; K200-K204 WeakPolarHBondContact O-CB 3.27Å; K200-K204 WeakPolarHBondContact O-CG 3.25Å; K200-K204 PolarHBondContact O-N 3.47Å
201	A	90	Very high	82.9	Confident	70 Å²	70	81.3 Å²	81.3	58%	0.579	41%	0.41	S	S	*	.	H	α-helix	trans	-67.8	-42.6	-179.7	0	0	0	0	0	111.4	T199 K204 K205	T199-A201 PolarHBondContact O-N 3.46Å; A201-K204 PolarHBondContact O-N 3.5Å; A201-K205 VanDerWaalsContact O-CB 3.25Å; A201-K205 WeakPolarHBondContact O-CB 3.42Å; A201-K205 PolarHBondContact O-N 2.71Å
202	E	89	Confident	80.7	Confident	85 Å²	85	74.4 Å²	74.4	40%	0.397	39%	0.393	S	S	.	.	H	α-helix	trans	-60.5	-49.7	172.9	-76	156.1	-154.7	0	0	111.7	F197 E198 T199 K204 K205 Q206	F197-E202 HydrophobicContact CB-CB 4.22Å; F197-E202 HydrophobicContact CD1-CB 4.26Å; E198-E202 PolarHBondContact N-OE2 3.32Å; T199-E202 PolarHBondContact N-OE2 3.48Å; T199-E202 PolarHBondContact O-N 3.32Å; T199-E202 VanDerWaalsContact OG1-CG 3.27Å; T199-E202 WeakPolarHBondContact OG1-CG 3.38Å; T199-E202 PolarHBondContact OG1-N 2.92Å; T199-E202 PolarHBondContact OG1-OE1 3.3Å; E202-K204 VanDerWaalsContact C-N 3.33Å; E202-K204 PolarHBondContact O-N 3.21Å; E202-K205 PolarHBondContact O-N 3.01Å; E202-Q206 WeakPolarHBondContact O-CB 3.45Å; E202-Q206 PolarHBondContact O-N 2.02Å
203	C	91.1	Very high	78.6	Confident	0 Å²	0	75.1 Å²	75.1	0%	0	39%	0.394	C	S	.	.	H	α-helix	trans	-56.1	-48.4	176.6	175.3	0	0	0	0	111.2	C182 F197 T199 K205 Q206 C207	C182-C203 HydrophobicContact CB-CB 3.74Å; C182-C203 WeakPolarHBondContact CB-SG 3.37Å; C182-C203 WeakPolarHBondContact SG-CB 3.41Å; C182-C203 CovalentContact SG-SG 2.04Å; C182-C203 PolarHBondContact SG-SG 2.79Å; F197-C203 HydrophobicContact CB-CB 3.88Å; F197-C203 HydrophobicContact CD2-CB 3.42Å; F197-C203 VanDerWaalsContact CD2-CB 3.42Å; F197-C203 HydrophobicContact CE2-CB 4.08Å; F197-C203 HydrophobicContact CG-CB 3.69Å; T199-C203 PolarHBondContact O-N 2.81Å; C203-K205 PolarHBondContact O-N 3.23Å; C203-Q206 PolarHBondContact O-N 2.63Å; C203-C207 VanDerWaalsContact O-CB 3.22Å; C203-C207 WeakPolarHBondContact O-CB 3.22Å; C203-C207 PolarHBondContact O-N 2.87Å; C203-C207 PolarHBondContact O-SG 3.15Å
204	K	89.1	Confident	76.4	Confident	121 Å²	121	75.6 Å²	75.6	53%	0.526	40%	0.398	S	S	.	.	H	α-helix	trans	-65	-38.1	178.3	-77.3	-177.9	174.6	-171.5	0	112.6	C182 K200 A201 E202 Q206 G208	C182-K204 HydrophobicContact CB-CG 4.32Å; C182-K204 PolarHBondContact SG-N 2.88Å; K200-K204 WeakPolarHBondContact O-CB 3.27Å; K200-K204 WeakPolarHBondContact O-CG 3.25Å; K200-K204 PolarHBondContact O-N 3.47Å; A201-K204 PolarHBondContact O-N 3.5Å; E202-K204 VanDerWaalsContact C-N 3.33Å; E202-K204 PolarHBondContact O-N 3.21Å; K204-Q206 VanDerWaalsContact C-N 3.32Å; K204-G208 WeakPolarHBondContact O-CA 3.28Å; K204-G208 PolarHBondContact O-N 3.22Å
205	K	83.4	Confident	74.7	Confident	160 Å²	160	71.4 Å²	71.4	70%	0.696	39%	0.39	S	S	*	.	H	α-helix	trans	-63.7	-41.2	177.5	-176.5	-174.8	175.6	-174.3	0	110.9	A201 E202 C203	A201-K205 VanDerWaalsContact O-CB 3.25Å; A201-K205 WeakPolarHBondContact O-CB 3.42Å; A201-K205 PolarHBondContact O-N 2.71Å; E202-K205 PolarHBondContact O-N 3.01Å; C203-K205 PolarHBondContact O-N 3.23Å
206	Q	80	Confident	73.4	Confident	35 Å²	35	76.7 Å²	76.7	16%	0.164	42%	0.418	C	S	.	.	H	α-helix	trans	-78.1	-35.9	-179.6	-174.1	62.6	25.9	0	0	112.8	F197 E202 C203 K204 T214	F197-Q206 HydrophobicContact CE1-CB 3.81Å; F197-Q206 HydrophobicContact CE1-CG 3.87Å; F197-Q206 HydrophobicContact CZ-CB 3.99Å; F197-Q206 HydrophobicContact CZ-CG 3.89Å; E202-Q206 WeakPolarHBondContact O-CB 3.45Å; E202-Q206 PolarHBondContact O-N 2.02Å; C203-Q206 PolarHBondContact O-N 2.63Å; K204-Q206 VanDerWaalsContact C-N 3.32Å; Q206-T214 PolarHBondContact OE1-OG1 3.06Å
207	C	83.1	Confident	72.6	Confident	10 Å²	10	75.5 Å²	75.5	7%	0.068	41%	0.412	C	S	.	.	H	α-helix	trans	-117.4	-11.1	-167.6	-53.6	0	0	0	0	115.5	C157 Y175 C203	C157-C207 HydrophobicContact CB-CB 3.61Å; C157-C207 WeakPolarHBondContact CB-SG 3.49Å; C157-C207 WeakPolarHBondContact SG-CA 3.23Å; C157-C207 WeakPolarHBondContact SG-CB 3.38Å; C157-C207 CovalentContact SG-SG 2.02Å; C157-C207 PolarHBondContact SG-SG 2.78Å; Y175-C207 VanDerWaalsContact CB-SG 3.57Å; Y175-C207 HydrophobicContact CD1-CB 4.16Å; Y175-C207 HydrophobicContact CD2-CB 3.38Å; Y175-C207 HydrophobicContact CE2-CB 3.99Å; Y175-C207 HydrophobicContact CG-CB 3.47Å; Y175-C207 VanDerWaalsContact CG-CB 3.47Å; C203-C207 VanDerWaalsContact O-CB 3.22Å; C203-C207 WeakPolarHBondContact O-CB 3.22Å; C203-C207 PolarHBondContact O-N 2.87Å; C203-C207 PolarHBondContact O-SG 3.15Å
208	G	71.2	Confident	72.3	Confident	54 Å²	54	74.9 Å²	74.9	56%	0.557	41%	0.411	S	S	*	.	S	Bend	trans	-87.8	2.6	-172.8	0	0	0	0	0	115.5	K204	K204-G208 WeakPolarHBondContact O-CA 3.28Å; K204-G208 PolarHBondContact O-N 3.22Å
209	K	57.4	Low	71.9	Confident	171 Å²	171	72.1 Å²	72.1	74%	0.743	40%	0.4	S	S	*	.	S	Bend	trans	-120.9	136.7	171.6	-65.8	-173.6	178.3	-175.9	0	108.1	N211	K209-N211 PolarHBondContact O-N 2.99Å
210	D	47.3	Very low	71.5	Confident	162 Å²	162	70.7 Å²	70.7	87%	0.866	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	109.2	177.3	-59.6	-51.5	0	0	0	110.4	A212	D210-A212 PolarHBondContact O-N 3.49Å
211	N	37.6	Very low	71.3	Confident	122 Å²	122	70.6 Å²	70.6	65%	0.652	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	51.9	160.6	-58.6	-32.9	0	0	0	118.9	K209	K209-N211 PolarHBondContact O-N 2.99Å
212	A	42.1	Very low	71.4	Confident	44 Å²	44	73 Å²	73	36%	0.364	40%	0.401	S	S	.	.			trans	-121.2	107.8	160.6	0	0	0	0	0	111.3	D210 T214	D210-A212 PolarHBondContact O-N 3.49Å; A212-T214 PolarHBondContact O-N 2.77Å
213	P	42.6	Very low	71.4	Confident	40 Å²	40	71.7 Å²	71.7	26%	0.26	40%	0.397	S	S	.	.			trans	-48.4	109.4	154.1	-21.6	30.5	0	0	0	107.7
214	T	44	Very low	71.4	Confident	45 Å²	45	75 Å²	75	28%	0.276	42%	0.418	S	S	.	.			trans	-65	160	-178.5	73.4	0	0	0	0	110.2	Q206 A212 D216	Q206-T214 PolarHBondContact OE1-OG1 3.06Å; A212-T214 PolarHBondContact O-N 2.77Å; T214-D216 PolarHBondContact O-N 3.45Å
215	G	52.5	Low	71.3	Confident	35 Å²	35	70.4 Å²	70.4	36%	0.361	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	18.3	-172	0	0	0	0	0	117.6	G217 C218	G215-G217 PolarHBondContact O-N 3Å; G215-C218 WeakPolarHBondContact O-CB 3.23Å; G215-C218 PolarHBondContact O-N 3.42Å; G215-C218 VanDerWaalsContact O-N 3.09Å
216	D	65.6	Low	71.2	Confident	112 Å²	112	68.8 Å²	68.8	60%	0.599	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-32.7	167.9	-169.3	29.3	0	0	0	111.5	T214 C218 N219	T214-D216 PolarHBondContact O-N 3.45Å; D216-C218 VanDerWaalsContact C-N 3.31Å; D216-C218 PolarHBondContact O-N 2.58Å; D216-N219 WeakPolarHBondContact O-CB 3.12Å; D216-N219 PolarHBondContact O-N 3.25Å; D216-N219 VanDerWaalsContact O-N 3.07Å
217	G	78.3	Confident	71.2	Confident	3 Å²	3	69.7 Å²	69.7	3%	0.031	42%	0.418	C	S	.	.	G	3₁₀ helix	trans	-56	-41.2	171.3	0	0	0	0	0	113.6	G215 N219 A220 A255 N256	G215-G217 PolarHBondContact O-N 3Å; G217-N219 PolarHBondContact O-N 2.8Å; G217-A220 PolarHBondContact O-N 3.49Å; G217-A255 VanDerWaalsContact CA-O 3.32Å; G217-A255 WeakPolarHBondContact CA-O 3.39Å; G217-N256 WeakPolarHBondContact O-CA 3.44Å; G217-N256 WeakPolarHBondContact O-CB 3.32Å; G217-N256 PolarHBondContact O-N 3.48Å
218	C	88.6	Confident	71.2	Confident	10 Å²	10	75.7 Å²	75.7	7%	0.068	46%	0.455	C	S	.	.	G	3₁₀ helix	trans	-63	-15.7	-178.9	-48.8	0	0	0	0	112.6	G215 D216 F236 Y258 C268	G215-C218 WeakPolarHBondContact O-CB 3.23Å; G215-C218 PolarHBondContact O-N 3.42Å; G215-C218 VanDerWaalsContact O-N 3.09Å; D216-C218 VanDerWaalsContact C-N 3.31Å; D216-C218 PolarHBondContact O-N 2.58Å; C218-F236 HydrophobicContact CB-CD1 3.9Å; C218-F236 HydrophobicContact CB-CE1 4.41Å; C218-F236 HydrophobicContact CB-CG 4.47Å; C218-F236 VanDerWaalsContact O-CD1 3.23Å; C218-F236 WeakPolarHBondContact O-CD1 3.41Å; C218-Y258 PolarHBondContact N-OH 3.17Å; C218-Y258 PolarHBondContact SG-OH 3.23Å; C218-C268 VanDerWaalsContact CA-SG 3.55Å; C218-C268 HydrophobicContact CB-CB 3.66Å; C218-C268 WeakPolarHBondContact CB-SG 2.96Å; C218-C268 WeakPolarHBondContact SG-CA 3.38Å; C218-C268 WeakPolarHBondContact SG-CB 3.12Å; C218-C268 CovalentContact SG-SG 2.03Å; C218-C268 PolarHBondContact SG-SG 2.84Å
219	N	87.5	Confident	71.3	Confident	82 Å²	82	75.9 Å²	75.9	44%	0.439	44%	0.44	S	S	.	.	G	3₁₀ helix	trans	-89.2	-23.2	-175.3	-73.1	-28.2	0	0	0	114.8	D216 G217 R238	D216-N219 WeakPolarHBondContact O-CB 3.12Å; D216-N219 PolarHBondContact O-N 3.25Å; D216-N219 VanDerWaalsContact O-N 3.07Å; G217-N219 PolarHBondContact O-N 2.8Å; N219-R238 VanDerWaalsContact O-CZ 3.26Å; N219-R238 PolarHBondContact O-NE 3.1Å; N219-R238 PolarHBondContact O-NH2 3.07Å; N219-R238 PolarHBondContact OD1-NH1 2.95Å; N219-R238 PolarHBondContact OD1-NH2 2.95Å
220	A	86	Confident	72.5	Confident	25 Å²	25	73.2 Å²	73.2	21%	0.207	43%	0.434	C	S	.	.	S	Bend	trans	-86	158.7	-174	0	0	0	0	0	111.7	G217 N254 N256	G217-A220 PolarHBondContact O-N 3.49Å; A220-N254 HydrophobicContact CB-CB 3.97Å; A220-N254 WeakPolarHBondContact CB-OD1 3.1Å; A220-N256 HydrophobicContact CB-CB 4.17Å; A220-N256 PolarHBondContact O-ND2 3.24Å
221	P	90.7	Very high	73.9	Confident	96 Å²	96	66.5 Å²	66.5	62%	0.623	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-69.9	167.3	173.9	30.3	-36	0	0	0	111.5	D223 N254	P221-D223 PolarHBondContact O-N 2.86Å; P221-N254 PolarHBondContact O-ND2 3.07Å; P221-N254 PolarHBondContact O-OD1 3.23Å
222	K	92.7	Very high	76.1	Confident	122 Å²	122	69.3 Å²	69.3	53%	0.53	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-59.2	137.3	164.4	70.3	-173.3	-178.9	-175.4	0	109.8	Y235 F246	K222-Y235 HydrophobicContact CB-CD1 3.9Å; K222-Y235 HydrophobicContact CB-CD2 3.55Å; K222-Y235 HydrophobicContact CB-CE1 4.07Å; K222-Y235 HydrophobicContact CB-CE2 3.74Å; K222-Y235 HydrophobicContact CB-CG 3.63Å; K222-Y235 HydrophobicContact CD-CE1 3.95Å; K222-Y235 HydrophobicContact CD-CE2 4.15Å; K222-Y235 HydrophobicContact CG-CE2 4.33Å; K222-F246 HydrophobicContact CB-CD2 4.46Å
223	D	89.5	Confident	78.2	Confident	56 Å²	56	67.4 Å²	67.4	30%	0.299	39%	0.385	S	S	.	.			trans	-144.1	104	-176.7	-172.7	-14.3	0	0	0	110.5	P221 G225 G253 N254	P221-D223 PolarHBondContact O-N 2.86Å; D223-G225 PolarHBondContact O-N 2.83Å; D223-G225 WeakPolarHBondContact OD1-CA 3.42Å; D223-G225 PolarHBondContact OD1-N 3.38Å; D223-G253 WeakPolarHBondContact OD2-CA 2.98Å; D223-N254 WeakPolarHBondContact CB-ND2 3.39Å; D223-N254 PolarHBondContact OD2-N 2.94Å
224	P	90.6	Very high	80.4	Confident	69 Å²	69	68.7 Å²	68.7	45%	0.448	38%	0.384	S	S	.	.			trans	-62.3	-15.9	176.2	-24	35.5	0	0	0	114	Y248 G249	P224-Y248 VanDerWaalsContact O-CD2 3.29Å; P224-Y248 WeakPolarHBondContact O-CD2 3.28Å; P224-G249 VanDerWaalsContact O-CA 3.3Å; P224-G249 WeakPolarHBondContact O-CA 3.28Å; P224-G249 PolarHBondContact O-N 2.84Å
225	G	87.2	Confident	82.8	Confident	25 Å²	25	67.5 Å²	67.5	26%	0.258	38%	0.375	S	S	.	.			trans	74.1	-164.3	-173	0	0	0	0	0	113.1	D223 C251	D223-G225 PolarHBondContact O-N 2.83Å; D223-G225 WeakPolarHBondContact OD1-CA 3.42Å; D223-G225 PolarHBondContact OD1-N 3.38Å; G225-C251 WeakPolarHBondContact CA-O 3.4Å
226	T	81.1	Confident	84.8	Confident	126 Å²	126	66.1 Å²	66.1	77%	0.773	36%	0.359	S	S	*	.	S	Bend	trans	-107.5	-10.4	-170.2	54.5	0	0	0	0	114.2	C251	T226-C251 PolarHBondContact N-O 3.33Å
227	C	79	Confident	86.2	Confident	54 Å²	54	61.8 Å²	61.8	37%	0.365	34%	0.336	S	S	.	.	S	Bend	trans	-87.4	166.8	176.9	-75.9	0	0	0	0	111.6	G249 C251	C227-G249 CarbonylContact C-O 3.55Å; C227-G249 VanDerWaalsContact C-O 3.27Å; C227-G249 WeakPolarHBondContact CB-O 3.45Å; C227-G249 WeakPolarHBondContact O-CA 3.48Å; C227-C251 HydrophobicContact CB-CB 3.87Å; C227-C251 WeakPolarHBondContact CB-SG 3.32Å; C227-C251 WeakPolarHBondContact SG-CB 3.23Å; C227-C251 CovalentContact SG-SG 2.02Å; C227-C251 PolarHBondContact SG-SG 2.79Å
228	T	83	Confident	86.9	Confident	137 Å²	137	67.6 Å²	67.6	84%	0.84	36%	0.357	S	S	*	.			trans	-111	22.2	-171.5	58.8	0	0	0	0	113.9
229	K	74.6	Confident	87.1	Confident	57 Å²	57	75.2 Å²	75.2	25%	0.248	39%	0.392	C	S	.	.			trans	-76.4	161.5	173.2	-52.2	-170	174	-177.1	0	110.4	P116 F117 S118 A119 L231 G249	P116-K229 PolarHBondContact O-NZ 3.37Å; F117-K229 PolarHBondContact O-NZ 3.1Å; S118-K229 VanDerWaalsContact C-NZ 3.3Å; S118-K229 WeakPolarHBondContact O-CD 3.49Å; S118-K229 WeakPolarHBondContact O-CE 3.38Å; S118-K229 PolarHBondContact O-NZ 2.83Å; A119-K229 HydrophobicContact CB-CD 3.65Å; A119-K229 VanDerWaalsContact N-NZ 3.14Å; K229-L231 HydrophobicContact CB-CG 4.43Å; K229-G249 WeakPolarHBondContact CA-O 3.04Å; K229-G249 WeakPolarHBondContact CB-O 3.42Å; K229-G249 WeakPolarHBondContact CG-O 3.42Å; K229-G249 PolarHBondContact N-O 3.22Å; K229-G249 VanDerWaalsContact O-CA 3.29Å; K229-G249 WeakPolarHBondContact O-CA 3Å
230	N	80.8	Confident	87.5	Confident	115 Å²	115	72 Å²	72	62%	0.615	38%	0.376	S	S	*	.			trans	-116.6	72	-179	-71.4	-41.2	0	0	0	111.1	I247	N230-I247 HydrophobicContact CB-CG2 4.25Å
231	L	78.3	Confident	88	Confident	22 Å²	22	71.9 Å²	71.9	12%	0.115	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	118.4	179.1	-56.3	178.1	0	0	0	110.3	I151 K229 L233 I247 Y248	I151-L231 HydrophobicContact CD1-CD1 4.35Å; I151-L231 HydrophobicContact CG1-CD1 3.86Å; K229-L231 HydrophobicContact CB-CG 4.43Å; L231-L233 HydrophobicContact CB-CG 4.37Å; L231-L233 PolarHBondContact O-N 3.17Å; L231-I247 WeakPolarHBondContact O-CA 3.24Å; L231-Y248 HydrophobicContact CB-CD1 4.49Å; L231-Y248 WeakPolarHBondContact CB-O 3.16Å; L231-Y248 HydrophobicContact CD1-CD1 3.97Å; L231-Y248 HydrophobicContact CD1-CE1 4.47Å; L231-Y248 PolarHBondContact N-O 2.71Å; L231-Y248 PolarHBondContact O-N 2.82Å
232	Y	83	Confident	88.2	Confident	181 Å²	181	68.8 Å²	68.8	71%	0.71	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.3	110	178.3	-70.8	-86.2	0	0	0	110.8	I247	Y232-I247 HydrophobicContact CD1-CG1 4.46Å; Y232-I247 HydrophobicContact CE1-CG1 4.26Å
233	L	86.1	Confident	88.3	Confident	3 Å²	3	63.3 Å²	63.3	2%	0.016	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	-178.3	-174.9	-60.7	-175	0	0	0	111.6	I151 L231 P245 F246 Y248 R257	I151-L233 HydrophobicContact CB-CD1 4.26Å; I151-L233 HydrophobicContact CB-CD2 4.46Å; I151-L233 HydrophobicContact CD1-CD1 4.46Å; I151-L233 HydrophobicContact CD1-CD2 3.55Å; I151-L233 HydrophobicContact CG1-CD1 4.08Å; I151-L233 HydrophobicContact CG1-CD2 4.07Å; I151-L233 HydrophobicContact CG2-CD1 3.3Å; I151-L233 HydrophobicContact CG2-CD2 3.64Å; I151-L233 HydrophobicContact CG2-CG 4.14Å; L231-L233 HydrophobicContact CB-CG 4.37Å; L231-L233 PolarHBondContact O-N 3.17Å; L233-P245 CarbonylContact O-C 3.53Å; L233-P245 WeakPolarHBondContact O-CA 3.44Å; L233-F246 HydrophobicContact CB-CD1 4.09Å; L233-F246 HydrophobicContact CB-CE1 3.63Å; L233-F246 HydrophobicContact CB-CZ 4.28Å; L233-F246 PolarHBondContact N-O 3.28Å; L233-F246 PolarHBondContact O-N 3.25Å; L233-Y248 VanDerWaalsContact CD1-CB 3.49Å; L233-Y248 HydrophobicContact CD1-CD1 3.71Å; L233-Y248 HydrophobicContact CD1-CG 3.89Å; L233-R257 HydrophobicContact CB-CG 4.46Å; L233-R257 HydrophobicContact CD1-CG 3.36Å
234	W	90	Very high	88.5	Confident	67 Å²	67	63.8 Å²	63.8	25%	0.254	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	138	179.6	-61.3	80.9	0	0	0	110.7	C243 K244 P245 F246 R257 Y258 K261 C264	W234-C243 HydrophobicContact CE3-CB 4.29Å; W234-C243 WeakPolarHBondContact CZ3-O 3.29Å; W234-K244 WeakPolarHBondContact CA-O 3.25Å; W234-P245 HydrophobicContact CH2-CB 4.47Å; W234-P245 HydrophobicContact CZ3-CB 4.44Å; W234-P245 HydrophobicContact CZ3-CG 4.47Å; W234-F246 WeakPolarHBondContact O-CE1 3.34Å; W234-R257 WeakPolarHBondContact O-CA 3.22Å; W234-Y258 PolarHBondContact N-O 3.45Å; W234-Y258 WeakPolarHBondContact O-CD2 3.47Å; W234-Y258 PolarHBondContact O-N 2.02Å; W234-K261 HydrophobicContact CD2-CB 3.66Å; W234-K261 HydrophobicContact CD2-CG 4.11Å; W234-K261 HydrophobicContact CE3-CB 3.84Å; W234-K261 HydrophobicContact CE3-CD 4.26Å; W234-K261 HydrophobicContact CE3-CG 3.74Å; W234-K261 HydrophobicContact CG-CB 4.26Å; W234-K261 HydrophobicContact CH2-CB 3.98Å; W234-K261 HydrophobicContact CH2-CD 3.73Å; W234-K261 HydrophobicContact CH2-CG 4.03Å; W234-K261 HydrophobicContact CZ2-CB 3.81Å; W234-K261 HydrophobicContact CZ2-CD 4.35Å; W234-K261 HydrophobicContact CZ2-CG 4.37Å; W234-K261 HydrophobicContact CZ3-CB 3.99Å; W234-K261 HydrophobicContact CZ3-CD 3.67Å; W234-K261 HydrophobicContact CZ3-CG 3.69Å; W234-C264 HydrophobicContact CB-CB 4.17Å
235	Y	93.2	Very high	88.6	Confident	21 Å²	21	64.5 Å²	64.5	8%	0.082	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	153.2	167.6	78.5	-77	0	0	0	108.7	K222 D237 C243 K244 F246 N256	K222-Y235 HydrophobicContact CB-CD1 3.9Å; K222-Y235 HydrophobicContact CB-CD2 3.55Å; K222-Y235 HydrophobicContact CB-CE1 4.07Å; K222-Y235 HydrophobicContact CB-CE2 3.74Å; K222-Y235 HydrophobicContact CB-CG 3.63Å; K222-Y235 HydrophobicContact CD-CE1 3.95Å; K222-Y235 HydrophobicContact CD-CE2 4.15Å; K222-Y235 HydrophobicContact CG-CE2 4.33Å; Y235-D237 HydrophobicContact CE2-CB 3.81Å; Y235-C243 CarbonylContact O-C 3.58Å; Y235-C243 VanDerWaalsContact O-CA 3.31Å; Y235-C243 WeakPolarHBondContact O-CA 3.37Å; Y235-K244 HydrophobicContact CD1-CB 4.25Å; Y235-K244 VanDerWaalsContact CD1-O 3.23Å; Y235-K244 WeakPolarHBondContact CD1-O 3.17Å; Y235-K244 HydrophobicContact CE1-CB 3.61Å; Y235-K244 PolarHBondContact N-O 2.76Å; Y235-K244 PolarHBondContact O-N 2.69Å; Y235-F246 HydrophobicContact CD1-CB 3.73Å; Y235-F246 AromaticContact CD1-CD1 3.7Å; Y235-F246 HydrophobicContact CD1-CD1 3.7Å; Y235-F246 AromaticContact CD1-CG 3.84Å; Y235-F246 HydrophobicContact CD1-CG 3.84Å; Y235-F246 HydrophobicContact CE1-CB 4.02Å; Y235-F246 HydrophobicContact CG-CD1 4.23Å; Y235-N256 WeakPolarHBondContact CB-O 3.37Å
236	F	94.6	Very high	88.8	Confident	5 Å²	5	64.1 Å²	64.1	2%	0.022	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	118.6	172.5	175.7	-109.1	0	0	0	110	C218 R238 L241 N256 C268 V269 L272	C218-F236 HydrophobicContact CB-CD1 3.9Å; C218-F236 HydrophobicContact CB-CE1 4.41Å; C218-F236 HydrophobicContact CB-CG 4.47Å; C218-F236 VanDerWaalsContact O-CD1 3.23Å; C218-F236 WeakPolarHBondContact O-CD1 3.41Å; F236-R238 HydrophobicContact CD1-CG 4.31Å; F236-R238 HydrophobicContact CE1-CG 4.06Å; F236-L241 HydrophobicContact CE1-CD2 4.43Å; F236-L241 VanDerWaalsContact CE2-C 3.49Å; F236-L241 HydrophobicContact CE2-CB 4.38Å; F236-L241 HydrophobicContact CZ-CB 4.31Å; F236-L241 HydrophobicContact CZ-CD2 3.73Å; F236-N256 PolarHBondContact N-OD1 2.66Å; F236-N256 PolarHBondContact O-ND2 2.8Å; F236-C268 HydrophobicContact CB-CB 3.62Å; F236-C268 HydrophobicContact CD1-CB 3.91Å; F236-C268 HydrophobicContact CD2-CB 3.43Å; F236-C268 VanDerWaalsContact CD2-CB 3.43Å; F236-C268 HydrophobicContact CE1-CB 4.41Å; F236-C268 HydrophobicContact CE2-CB 4Å; F236-C268 HydrophobicContact CG-CB 3.36Å; F236-C268 HydrophobicContact CZ-CB 4.45Å; F236-V269 HydrophobicContact CD2-CG2 4Å; F236-V269 HydrophobicContact CE2-CG2 3.83Å; F236-L272 HydrophobicContact CE2-CD1 4.11Å; F236-L272 HydrophobicContact CZ-CD1 3.82Å; F236-L272 HydrophobicContact CZ-CD2 4.45Å
237	D	96.1	Very high	89.1	Confident	21 Å²	21	61.7 Å²	61.7	11%	0.112	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	116.9	174.7	179.3	51.2	0	0	0	110.3	Y235 E239 S240 L241 V242 K244	Y235-D237 HydrophobicContact CE2-CB 3.81Å; D237-E239 VanDerWaalsContact C-N 3.31Å; D237-E239 PolarHBondContact O-N 3.33Å; D237-S240 WeakPolarHBondContact OD2-CB 3.41Å; D237-S240 PolarHBondContact OD2-N 2.74Å; D237-S240 VanDerWaalsContact OD2-N 3.1Å; D237-S240 PolarHBondContact OD2-OG 2.9Å; D237-L241 WeakPolarHBondContact O-CA 3.35Å; D237-L241 PolarHBondContact O-N 2.93Å; D237-V242 WeakPolarHBondContact CB-O 3.32Å; D237-V242 PolarHBondContact N-O 3.09Å; D237-V242 PolarHBondContact O-N 3.37Å; D237-K244 HydrophobicContact CB-CD 3.83Å; D237-K244 HydrophobicContact CB-CG 4.29Å; D237-K244 WeakPolarHBondContact OD2-CE 3.19Å; D237-K244 IonicContact OD2-NZ 3.34Å; D237-K244 PolarHBondContact OD2-NZ 2.89Å
238	R	92.4	Very high	89.4	Confident	126 Å²	126	59.4 Å²	59.4	48%	0.475	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-26	-176.9	-76.6	-159.2	-167.6	-107.7	37.2	114.4	N219 F236 L241	N219-R238 VanDerWaalsContact O-CZ 3.26Å; N219-R238 PolarHBondContact O-NE 3.1Å; N219-R238 PolarHBondContact O-NH2 3.07Å; N219-R238 PolarHBondContact OD1-NH1 2.95Å; N219-R238 PolarHBondContact OD1-NH2 2.95Å; F236-R238 HydrophobicContact CD1-CG 4.31Å; F236-R238 HydrophobicContact CE1-CG 4.06Å; R238-L241 WeakPolarHBondContact O-CD2 2.96Å
239	E	91.9	Very high	89.2	Confident	170 Å²	170	53.1 Å²	53.1	79%	0.794	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-47.5	-176.9	-66.8	178.7	-178.2	0	0	110.7	D237	D237-E239 VanDerWaalsContact C-N 3.31Å; D237-E239 PolarHBondContact O-N 3.33Å
240	S	96	Very high	89.2	Confident	14 Å²	14	51.1 Å²	51.1	10%	0.098	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-5.2	178.7	61.3	0	0	0	0	114.2	D237 V242 K244 N314 A315	D237-S240 WeakPolarHBondContact OD2-CB 3.41Å; D237-S240 PolarHBondContact OD2-N 2.74Å; D237-S240 VanDerWaalsContact OD2-N 3.1Å; D237-S240 PolarHBondContact OD2-OG 2.9Å; S240-V242 PolarHBondContact O-N 3.28Å; S240-V242 WeakPolarHBondContact OG-CG2 3.41Å; S240-K244 WeakPolarHBondContact OG-CE 3.5Å; S240-K244 PolarHBondContact OG-NZ 3.11Å; S240-N314 CarbonylContact O-C 3.49Å; S240-N314 VanDerWaalsContact O-CA 3.22Å; S240-N314 WeakPolarHBondContact O-CA 3.2Å; S240-N314 VanDerWaalsContact O-CB 3.27Å; S240-N314 WeakPolarHBondContact O-CB 3.5Å; S240-A315 PolarHBondContact O-N 3.46Å
241	L	96.1	Very high	88.9	Confident	22 Å²	22	47.6 Å²	47.6	12%	0.115	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	31.2	-176	-56.8	-179.8	0	0	0	113.6	F236 D237 R238 L272 A276 I277 L280 A315	F236-L241 HydrophobicContact CE1-CD2 4.43Å; F236-L241 VanDerWaalsContact CE2-C 3.49Å; F236-L241 HydrophobicContact CE2-CB 4.38Å; F236-L241 HydrophobicContact CZ-CB 4.31Å; F236-L241 HydrophobicContact CZ-CD2 3.73Å; D237-L241 WeakPolarHBondContact O-CA 3.35Å; D237-L241 PolarHBondContact O-N 2.93Å; R238-L241 WeakPolarHBondContact O-CD2 2.96Å; L241-L272 HydrophobicContact CB-CD1 4.01Å; L241-L272 HydrophobicContact CD1-CD1 4.22Å; L241-L272 HydrophobicContact CD2-CD1 4.07Å; L241-L272 HydrophobicContact CG-CD1 4.33Å; L241-A276 HydrophobicContact CD1-CB 4.2Å; L241-A276 VanDerWaalsContact CD1-O 3.23Å; L241-A276 WeakPolarHBondContact CD1-O 3.47Å; L241-I277 HydrophobicContact CD1-CG1 4.33Å; L241-L280 HydrophobicContact CB-CD1 4.32Å; L241-L280 HydrophobicContact CD1-CD1 3.91Å; L241-L280 HydrophobicContact CG-CD1 4.23Å; L241-A315 HydrophobicContact CB-CB 3.8Å; L241-A315 WeakPolarHBondContact O-CB 3.23Å
242	V	95.5	Very high	88.8	Confident	31 Å²	31	48.6 Å²	48.6	19%	0.188	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	156.2	176.7	-64.4	0	0	0	0	111.6	D237 S240 K244 A315	D237-V242 WeakPolarHBondContact CB-O 3.32Å; D237-V242 PolarHBondContact N-O 3.09Å; D237-V242 PolarHBondContact O-N 3.37Å; S240-V242 PolarHBondContact O-N 3.28Å; S240-V242 WeakPolarHBondContact OG-CG2 3.41Å; V242-K244 HydrophobicContact CG2-CG 4.15Å; V242-A315 HydrophobicContact CG1-CB 4.24Å
243	C	95.1	Very high	88.7	Confident	8 Å²	8	41.5 Å²	41.5	5%	0.054	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	123.2	171.6	-66	0	0	0	0	110.4	W234 Y235 K261 C264 E265	W234-C243 HydrophobicContact CE3-CB 4.29Å; W234-C243 WeakPolarHBondContact CZ3-O 3.29Å; Y235-C243 CarbonylContact O-C 3.58Å; Y235-C243 VanDerWaalsContact O-CA 3.31Å; Y235-C243 WeakPolarHBondContact O-CA 3.37Å; C243-K261 HydrophobicContact CB-CG 4.39Å; C243-C264 HydrophobicContact CB-CB 3.66Å; C243-C264 WeakPolarHBondContact CB-SG 3.34Å; C243-C264 WeakPolarHBondContact SG-CB 3.46Å; C243-C264 CovalentContact SG-SG 2.02Å; C243-C264 PolarHBondContact SG-SG 2.89Å; C243-E265 HydrophobicContact CB-CG 4.07Å; C243-E265 PolarHBondContact SG-N 3.33Å
244	K	93.8	Very high	88.5	Confident	65 Å²	65	42.8 Å²	42.8	28%	0.283	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	146.6	-179	-68.4	178.8	-178.7	165.9	0	110.3	W234 Y235 D237 S240 V242	W234-K244 WeakPolarHBondContact CA-O 3.25Å; Y235-K244 HydrophobicContact CD1-CB 4.25Å; Y235-K244 VanDerWaalsContact CD1-O 3.23Å; Y235-K244 WeakPolarHBondContact CD1-O 3.17Å; Y235-K244 HydrophobicContact CE1-CB 3.61Å; Y235-K244 PolarHBondContact N-O 2.76Å; Y235-K244 PolarHBondContact O-N 2.69Å; D237-K244 HydrophobicContact CB-CD 3.83Å; D237-K244 HydrophobicContact CB-CG 4.29Å; D237-K244 WeakPolarHBondContact OD2-CE 3.19Å; D237-K244 IonicContact OD2-NZ 3.34Å; D237-K244 PolarHBondContact OD2-NZ 2.89Å; S240-K244 WeakPolarHBondContact OG-CE 3.5Å; S240-K244 PolarHBondContact OG-NZ 3.11Å; V242-K244 HydrophobicContact CG2-CG 4.15Å
245	P	92.1	Very high	88.3	Confident	84 Å²	84	41 Å²	41	55%	0.545	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	149.3	173.7	30.5	-34.3	0	0	0	110.9	L233 W234	L233-P245 CarbonylContact O-C 3.53Å; L233-P245 WeakPolarHBondContact O-CA 3.44Å; W234-P245 HydrophobicContact CH2-CB 4.47Å; W234-P245 HydrophobicContact CZ3-CB 4.44Å; W234-P245 HydrophobicContact CZ3-CG 4.47Å
246	F	92.8	Very high	88.1	Confident	18 Å²	18	40 Å²	40	8%	0.079	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	166.1	169.7	79.9	-64.2	0	0	0	111.4	K222 L233 W234 Y235 R257	K222-F246 HydrophobicContact CB-CD2 4.46Å; L233-F246 HydrophobicContact CB-CD1 4.09Å; L233-F246 HydrophobicContact CB-CE1 3.63Å; L233-F246 HydrophobicContact CB-CZ 4.28Å; L233-F246 PolarHBondContact N-O 3.28Å; L233-F246 PolarHBondContact O-N 3.25Å; W234-F246 WeakPolarHBondContact O-CE1 3.34Å; Y235-F246 HydrophobicContact CD1-CB 3.73Å; Y235-F246 AromaticContact CD1-CD1 3.7Å; Y235-F246 HydrophobicContact CD1-CD1 3.7Å; Y235-F246 AromaticContact CD1-CG 3.84Å; Y235-F246 HydrophobicContact CD1-CG 3.84Å; Y235-F246 HydrophobicContact CE1-CB 4.02Å; Y235-F246 HydrophobicContact CG-CD1 4.23Å; F246-R257 HydrophobicContact CE1-CG 4.22Å; F246-R257 HydrophobicContact CZ-CB 4.04Å; F246-R257 HydrophobicContact CZ-CG 3.76Å
247	I	87.2	Confident	87.7	Confident	75 Å²	75	40.4 Å²	40.4	39%	0.385	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	122.6	176.8	-58.6	174.6	0	0	0	108.8	N230 L231 Y232	N230-I247 HydrophobicContact CB-CG2 4.25Å; L231-I247 WeakPolarHBondContact O-CA 3.24Å; Y232-I247 HydrophobicContact CD1-CG1 4.46Å; Y232-I247 HydrophobicContact CE1-CG1 4.26Å
248	Y	84.3	Confident	87.1	Confident	5 Å²	5	39.6 Å²	39.6	2%	0.02	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	132.5	172.6	174.4	-121.6	0	0	0	111	P224 L231 L233 G250 C251 G252 R257	P224-Y248 VanDerWaalsContact O-CD2 3.29Å; P224-Y248 WeakPolarHBondContact O-CD2 3.28Å; L231-Y248 HydrophobicContact CB-CD1 4.49Å; L231-Y248 WeakPolarHBondContact CB-O 3.16Å; L231-Y248 HydrophobicContact CD1-CD1 3.97Å; L231-Y248 HydrophobicContact CD1-CE1 4.47Å; L231-Y248 PolarHBondContact N-O 2.71Å; L231-Y248 PolarHBondContact O-N 2.82Å; L233-Y248 VanDerWaalsContact CD1-CB 3.49Å; L233-Y248 HydrophobicContact CD1-CD1 3.71Å; L233-Y248 HydrophobicContact CD1-CG 3.89Å; Y248-G250 PolarHBondContact O-N 2.92Å; Y248-C251 WeakPolarHBondContact OH-CA 3.39Å; Y248-C251 PolarHBondContact OH-N 2.83Å; Y248-G252 PolarHBondContact OH-N 2.8Å; Y248-G252 PolarHBondContact OH-O 2.8Å; Y248-G252 VanDerWaalsContact OH-O 3.13Å; Y248-R257 VanDerWaalsContact CG-CD 3.44Å; Y248-R257 PolarHBondContact OH-NH2 3.05Å
249	G	80.2	Confident	86.5	Confident	5 Å²	5	34.9 Å²	34.9	5%	0.052	21%	0.212	C	C	.	.			trans	-66.4	-11.4	-178.3	0	0	0	0	0	115.1	P224 C227 K229	P224-G249 VanDerWaalsContact O-CA 3.3Å; P224-G249 WeakPolarHBondContact O-CA 3.28Å; P224-G249 PolarHBondContact O-N 2.84Å; C227-G249 CarbonylContact C-O 3.55Å; C227-G249 VanDerWaalsContact C-O 3.27Å; C227-G249 WeakPolarHBondContact CB-O 3.45Å; C227-G249 WeakPolarHBondContact O-CA 3.48Å; K229-G249 WeakPolarHBondContact CA-O 3.04Å; K229-G249 WeakPolarHBondContact CB-O 3.42Å; K229-G249 WeakPolarHBondContact CG-O 3.42Å; K229-G249 PolarHBondContact N-O 3.22Å; K229-G249 VanDerWaalsContact O-CA 3.29Å; K229-G249 WeakPolarHBondContact O-CA 3Å
250	G	74.3	Confident	85.9	Confident	16 Å²	16	29.5 Å²	29.5	17%	0.165	19%	0.191	C	C	.	.	S	Bend	trans	92.7	-9.5	178	0	0	0	0	0	115.4	Y248	Y248-G250 PolarHBondContact O-N 2.92Å
251	C	74.4	Confident	85.4	Confident	41 Å²	41	32.4 Å²	32.4	28%	0.277	20%	0.202	S	C	.	.	S	Bend	trans	-147.9	153.8	171	80.6	0	0	0	0	112.2	G225 T226 C227 Y248	G225-C251 WeakPolarHBondContact CA-O 3.4Å; T226-C251 PolarHBondContact N-O 3.33Å; C227-C251 HydrophobicContact CB-CB 3.87Å; C227-C251 WeakPolarHBondContact CB-SG 3.32Å; C227-C251 WeakPolarHBondContact SG-CB 3.23Å; C227-C251 CovalentContact SG-SG 2.02Å; C227-C251 PolarHBondContact SG-SG 2.79Å; Y248-C251 WeakPolarHBondContact OH-CA 3.39Å; Y248-C251 PolarHBondContact OH-N 2.83Å
252	G	75.2	Confident	84.8	Confident	43 Å²	43	37.1 Å²	37.1	44%	0.443	22%	0.224	S	C	.	.			trans	74.9	-142.7	179.3	0	0	0	0	0	113.5	Y248 R257	Y248-G252 PolarHBondContact OH-N 2.8Å; Y248-G252 PolarHBondContact OH-O 2.8Å; Y248-G252 VanDerWaalsContact OH-O 3.13Å; G252-R257 PolarHBondContact O-NH1 2.86Å
253	G	81.1	Confident	84.1	Confident	32 Å²	32	36.4 Å²	36.4	33%	0.33	22%	0.218	S	C	.	.			trans	65.8	-174.4	-177.2	0	0	0	0	0	114.7	D223	D223-G253 WeakPolarHBondContact OD2-CA 2.98Å
254	N	83.3	Confident	83.8	Confident	30 Å²	30	36 Å²	36	16%	0.16	22%	0.215	C	C	.	.			trans	-101.6	-176	178.8	69.4	52.3	0	0	0	112.9	A220 P221 D223 N256 R257	A220-N254 HydrophobicContact CB-CB 3.97Å; A220-N254 WeakPolarHBondContact CB-OD1 3.1Å; P221-N254 PolarHBondContact O-ND2 3.07Å; P221-N254 PolarHBondContact O-OD1 3.23Å; D223-N254 WeakPolarHBondContact CB-ND2 3.39Å; D223-N254 PolarHBondContact OD2-N 2.94Å; N254-N256 VanDerWaalsContact C-N 3.33Å; N254-N256 PolarHBondContact O-N 3.41Å; N254-N256 VanDerWaalsContact OD1-CB 3.28Å; N254-N256 WeakPolarHBondContact OD1-CB 2.96Å; N254-N256 PolarHBondContact OD1-N 2.91Å; N254-R257 PolarHBondContact O-NH1 3.38Å; N254-R257 VanDerWaalsContact O-NH1 3.08Å
255	A	84.5	Confident	83.7	Confident	29 Å²	29	36 Å²	36	24%	0.24	22%	0.216	C	C	.	.	S	Bend	trans	-82	-2.2	-174.6	0	0	0	0	0	114.8	P153 G217 R257	P153-A255 HydrophobicContact CG-CB 3.98Å; G217-A255 VanDerWaalsContact CA-O 3.32Å; G217-A255 WeakPolarHBondContact CA-O 3.39Å; A255-R257 PolarHBondContact O-N 2.78Å
256	N	90.1	Very high	83.5	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.005	22%	0.216	C	C	.	.			trans	-76	59.2	175	-160.9	1	0	0	0	111.4	G217 A220 Y235 F236 N254 Y258	G217-N256 WeakPolarHBondContact O-CA 3.44Å; G217-N256 WeakPolarHBondContact O-CB 3.32Å; G217-N256 PolarHBondContact O-N 3.48Å; A220-N256 HydrophobicContact CB-CB 4.17Å; A220-N256 PolarHBondContact O-ND2 3.24Å; Y235-N256 WeakPolarHBondContact CB-O 3.37Å; F236-N256 PolarHBondContact N-OD1 2.66Å; F236-N256 PolarHBondContact O-ND2 2.8Å; N254-N256 VanDerWaalsContact C-N 3.33Å; N254-N256 PolarHBondContact O-N 3.41Å; N254-N256 VanDerWaalsContact OD1-CB 3.28Å; N254-N256 WeakPolarHBondContact OD1-CB 2.96Å; N254-N256 PolarHBondContact OD1-N 2.91Å; N256-Y258 WeakPolarHBondContact OD1-CE2 3.5Å
257	R	86.1	Confident	83.1	Confident	12 Å²	12	39.6 Å²	39.6	5%	0.045	22%	0.219	C	C	.	.			trans	-149.7	114.6	-169	-176.1	170.8	68.1	-128.2	7.6	110.1	I151 L233 W234 F246 Y248 G252 N254 A255	I151-R257 HydrophobicContact CG2-CG 4.25Å; I151-R257 VanDerWaalsContact O-CZ 3.28Å; I151-R257 PolarHBondContact O-NE 2.03Å; I151-R257 PolarHBondContact O-NH2 3.2Å; L233-R257 HydrophobicContact CB-CG 4.46Å; L233-R257 HydrophobicContact CD1-CG 3.36Å; W234-R257 WeakPolarHBondContact O-CA 3.22Å; F246-R257 HydrophobicContact CE1-CG 4.22Å; F246-R257 HydrophobicContact CZ-CB 4.04Å; F246-R257 HydrophobicContact CZ-CG 3.76Å; Y248-R257 VanDerWaalsContact CG-CD 3.44Å; Y248-R257 PolarHBondContact OH-NH2 3.05Å; G252-R257 PolarHBondContact O-NH1 2.86Å; N254-R257 PolarHBondContact O-NH1 3.38Å; N254-R257 VanDerWaalsContact O-NH1 3.08Å; A255-R257 PolarHBondContact O-N 2.78Å
258	Y	83.7	Confident	83.4	Confident	5 Å²	5	36.2 Å²	36.2	2%	0.02	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-129.3	143	-173.5	-53.1	-78.5	0	0	0	110.1	C218 W234 N256 E263 C264 R267 C268	C218-Y258 PolarHBondContact N-OH 3.17Å; C218-Y258 PolarHBondContact SG-OH 3.23Å; W234-Y258 PolarHBondContact N-O 3.45Å; W234-Y258 WeakPolarHBondContact O-CD2 3.47Å; W234-Y258 PolarHBondContact O-N 2.02Å; N256-Y258 WeakPolarHBondContact OD1-CE2 3.5Å; Y258-E263 HydrophobicContact CD1-CG 4.1Å; Y258-C264 HydrophobicContact CD1-CB 4.47Å; Y258-C264 HydrophobicContact CD2-CB 3.43Å; Y258-C264 VanDerWaalsContact CD2-CB 3.43Å; Y258-C264 WeakPolarHBondContact CD2-SG 3.31Å; Y258-C264 HydrophobicContact CE2-CB 4.2Å; Y258-C264 HydrophobicContact CG-CB 3.6Å; Y258-R267 HydrophobicContact CE1-CB 4.21Å; Y258-C268 PolarHBondContact OH-SG 2.83Å
259	V	79.8	Confident	83.8	Confident	26 Å²	26	37.2 Å²	37.2	16%	0.158	21%	0.208	C	C	.	.	S	Bend	trans	-73.5	-44.7	-177.2	179.5	0	0	0	0	110.9	I148 I151	I148-V259 HydrophobicContact CB-CG2 4.29Å; I148-V259 HydrophobicContact CD1-CG1 4.4Å; I148-V259 HydrophobicContact CG1-CG1 4Å; I148-V259 HydrophobicContact CG1-CG2 4.15Å; I148-V259 HydrophobicContact CG2-CG2 4.16Å; I151-V259 HydrophobicContact CB-CG2 4.18Å; I151-V259 HydrophobicContact CG2-CG2 3.66Å
260	T	79.4	Confident	84.2	Confident	58 Å²	58	40.2 Å²	40.2	36%	0.356	23%	0.232	S	C	.	.	S	Bend	trans	-112.9	154.9	178.7	70.1	0	0	0	0	111.3	E262 E263 C264	T260-E262 VanDerWaalsContact C-N 3.26Å; T260-E262 PolarHBondContact O-N 3.44Å; T260-E263 PolarHBondContact O-N 3.38Å; T260-E263 VanDerWaalsContact OG1-CB 3.32Å; T260-E263 WeakPolarHBondContact OG1-CB 3.46Å; T260-E263 PolarHBondContact OG1-N 3.46Å; T260-E263 VanDerWaalsContact OG1-N 3.07Å; T260-C264 PolarHBondContact O-N 2.52Å
261	K	84.8	Confident	84.9	Confident	74 Å²	74	43.8 Å²	43.8	32%	0.322	25%	0.253	S	S	.	.	H	α-helix	trans	-60	-42.8	173.7	-175.5	-178.9	164.8	-174.6	0	110.5	W234 C243 E263 C264 E265	W234-K261 HydrophobicContact CD2-CB 3.66Å; W234-K261 HydrophobicContact CD2-CG 4.11Å; W234-K261 HydrophobicContact CE3-CB 3.84Å; W234-K261 HydrophobicContact CE3-CD 4.26Å; W234-K261 HydrophobicContact CE3-CG 3.74Å; W234-K261 HydrophobicContact CG-CB 4.26Å; W234-K261 HydrophobicContact CH2-CB 3.98Å; W234-K261 HydrophobicContact CH2-CD 3.73Å; W234-K261 HydrophobicContact CH2-CG 4.03Å; W234-K261 HydrophobicContact CZ2-CB 3.81Å; W234-K261 HydrophobicContact CZ2-CD 4.35Å; W234-K261 HydrophobicContact CZ2-CG 4.37Å; W234-K261 HydrophobicContact CZ3-CB 3.99Å; W234-K261 HydrophobicContact CZ3-CD 3.67Å; W234-K261 HydrophobicContact CZ3-CG 3.69Å; C243-K261 HydrophobicContact CB-CG 4.39Å; K261-E263 VanDerWaalsContact C-N 3.33Å; K261-E263 PolarHBondContact O-N 3.32Å; K261-C264 WeakPolarHBondContact O-CB 3.16Å; K261-C264 PolarHBondContact O-N 3.1Å; K261-E265 WeakPolarHBondContact CE-OE1 3.44Å; K261-E265 HydrophobicContact CG-CG 4.29Å; K261-E265 IonicContact NZ-OE1 3.45Å; K261-E265 PolarHBondContact NZ-OE1 3.47Å; K261-E265 WeakPolarHBondContact O-CG 2.82Å; K261-E265 PolarHBondContact O-N 3.07Å
262	E	82.8	Confident	85.7	Confident	122 Å²	122	43.6 Å²	43.6	57%	0.57	25%	0.249	S	C	*	.	H	α-helix	trans	-64.2	-37.9	-178.1	-64	67.9	-148.6	0	0	111.3	T260 R266	T260-E262 VanDerWaalsContact C-N 3.26Å; T260-E262 PolarHBondContact O-N 3.44Å; E262-R266 WeakPolarHBondContact O-CB 3.15Å; E262-R266 PolarHBondContact O-N 2.85Å
263	E	81.1	Confident	86.5	Confident	15 Å²	15	45.8 Å²	45.8	7%	0.07	26%	0.255	C	S	.	.	H	α-helix	trans	-62.8	-46.4	173.5	-177.6	-178.7	173.7	0	0	111	R152 Y258 T260 K261 R267	R152-E263 IonicContact CZ-OE1 3.78Å; R152-E263 IonicContact CZ-OE2 3.43Å; R152-E263 IonicContact NE-OE1 3.72Å; R152-E263 IonicContact NE-OE2 2.69Å; R152-E263 VanDerWaalsContact NH2-CD 3.28Å; R152-E263 IonicContact NH2-OE1 2.74Å; R152-E263 PolarHBondContact NH2-OE1 3.41Å; R152-E263 IonicContact NH2-OE2 2.77Å; R152-E263 PolarHBondContact NH2-OE2 3.09Å; Y258-E263 HydrophobicContact CD1-CG 4.1Å; T260-E263 PolarHBondContact O-N 3.38Å; T260-E263 VanDerWaalsContact OG1-CB 3.32Å; T260-E263 WeakPolarHBondContact OG1-CB 3.46Å; T260-E263 PolarHBondContact OG1-N 3.46Å; T260-E263 VanDerWaalsContact OG1-N 3.07Å; K261-E263 VanDerWaalsContact C-N 3.33Å; K261-E263 PolarHBondContact O-N 3.32Å; E263-R267 WeakPolarHBondContact O-CB 3.21Å; E263-R267 WeakPolarHBondContact O-CG 3.23Å; E263-R267 PolarHBondContact O-N 2.89Å; E263-R267 IonicContact OE1-CZ 3.94Å; E263-R267 IonicContact OE1-NE 2.6Å; E263-R267 IonicContact OE1-NH1 3.85Å; E263-R267 PolarHBondContact OE1-NH1 2.85Å; E263-R267 IonicContact OE1-NH2 3.23Å; E263-R267 PolarHBondContact OE1-NH2 2.87Å
264	C	88.8	Confident	87.1	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-60.8	-49.7	176.4	178.4	0	0	0	0	111.3	W234 C243 Y258 T260 K261 R266 R267 C268	W234-C264 HydrophobicContact CB-CB 4.17Å; C243-C264 HydrophobicContact CB-CB 3.66Å; C243-C264 WeakPolarHBondContact CB-SG 3.34Å; C243-C264 WeakPolarHBondContact SG-CB 3.46Å; C243-C264 CovalentContact SG-SG 2.02Å; C243-C264 PolarHBondContact SG-SG 2.89Å; Y258-C264 HydrophobicContact CD1-CB 4.47Å; Y258-C264 HydrophobicContact CD2-CB 3.43Å; Y258-C264 VanDerWaalsContact CD2-CB 3.43Å; Y258-C264 WeakPolarHBondContact CD2-SG 3.31Å; Y258-C264 HydrophobicContact CE2-CB 4.2Å; Y258-C264 HydrophobicContact CG-CB 3.6Å; T260-C264 PolarHBondContact O-N 2.52Å; K261-C264 WeakPolarHBondContact O-CB 3.16Å; K261-C264 PolarHBondContact O-N 3.1Å; C264-R266 PolarHBondContact O-N 2.74Å; C264-R267 PolarHBondContact O-N 3.03Å; C264-C268 VanDerWaalsContact O-CB 3.32Å; C264-C268 WeakPolarHBondContact O-CB 3.39Å; C264-C268 PolarHBondContact O-N 2.91Å
265	E	91.5	Very high	87.6	Confident	64 Å²	64	51.2 Å²	51.2	30%	0.299	27%	0.268	S	S	.	.	I	π-helix	trans	-63.5	-43.5	-178.1	-73.4	-179.1	152	0	0	111.3	C243 K261 R267 V269 A270	C243-E265 HydrophobicContact CB-CG 4.07Å; C243-E265 PolarHBondContact SG-N 3.33Å; K261-E265 WeakPolarHBondContact CE-OE1 3.44Å; K261-E265 HydrophobicContact CG-CG 4.29Å; K261-E265 IonicContact NZ-OE1 3.45Å; K261-E265 PolarHBondContact NZ-OE1 3.47Å; K261-E265 WeakPolarHBondContact O-CG 2.82Å; K261-E265 PolarHBondContact O-N 3.07Å; E265-R267 VanDerWaalsContact C-N 3.3Å; E265-R267 PolarHBondContact O-N 3.36Å; E265-V269 HydrophobicContact CB-CB 4.36Å; E265-V269 HydrophobicContact CB-CG2 4.34Å; E265-V269 HydrophobicContact CG-CG2 4.14Å; E265-V269 CarbonylContact O-C 3.55Å; E265-V269 WeakPolarHBondContact O-CA 3.13Å; E265-V269 WeakPolarHBondContact O-CB 3.16Å; E265-V269 PolarHBondContact O-N 3.03Å; E265-A270 PolarHBondContact O-N 2.98Å
266	R	88	Confident	88	Confident	146 Å²	146	51.6 Å²	51.6	55%	0.551	27%	0.271	S	S	*	.	I	π-helix	trans	-62.1	-37.4	176.4	-172.9	-170.5	63.3	76.5	-5.2	112.3	E262 C264	E262-R266 WeakPolarHBondContact O-CB 3.15Å; E262-R266 PolarHBondContact O-N 2.85Å; C264-R266 PolarHBondContact O-N 2.74Å
267	R	85.6	Confident	88.3	Confident	33 Å²	33	51.9 Å²	51.9	13%	0.125	27%	0.273	C	S	.	.	I	π-helix	trans	-83.8	-33.9	-178.5	-75.2	-172.6	173.4	155.7	12.6	113.7	Y258 E263 C264 E265 P271	Y258-R267 HydrophobicContact CE1-CB 4.21Å; E263-R267 WeakPolarHBondContact O-CB 3.21Å; E263-R267 WeakPolarHBondContact O-CG 3.23Å; E263-R267 PolarHBondContact O-N 2.89Å; E263-R267 IonicContact OE1-CZ 3.94Å; E263-R267 IonicContact OE1-NE 2.6Å; E263-R267 IonicContact OE1-NH1 3.85Å; E263-R267 PolarHBondContact OE1-NH1 2.85Å; E263-R267 IonicContact OE1-NH2 3.23Å; E263-R267 PolarHBondContact OE1-NH2 2.87Å; C264-R267 PolarHBondContact O-N 3.03Å; E265-R267 VanDerWaalsContact C-N 3.3Å; E265-R267 PolarHBondContact O-N 3.36Å; R267-P271 WeakPolarHBondContact O-CG 3.27Å
268	C	91.7	Very high	88.8	Confident	4 Å²	4	51.3 Å²	51.3	3%	0.027	27%	0.27	C	S	.	.	I	π-helix	trans	-117	-29.8	-168.3	-58.7	0	0	0	0	115.1	C218 F236 Y258 C264 L272	C218-C268 VanDerWaalsContact CA-SG 3.55Å; C218-C268 HydrophobicContact CB-CB 3.66Å; C218-C268 WeakPolarHBondContact CB-SG 2.96Å; C218-C268 WeakPolarHBondContact SG-CA 3.38Å; C218-C268 WeakPolarHBondContact SG-CB 3.12Å; C218-C268 CovalentContact SG-SG 2.03Å; C218-C268 PolarHBondContact SG-SG 2.84Å; F236-C268 HydrophobicContact CB-CB 3.62Å; F236-C268 HydrophobicContact CD1-CB 3.91Å; F236-C268 HydrophobicContact CD2-CB 3.43Å; F236-C268 VanDerWaalsContact CD2-CB 3.43Å; F236-C268 HydrophobicContact CE1-CB 4.41Å; F236-C268 HydrophobicContact CE2-CB 4Å; F236-C268 HydrophobicContact CG-CB 3.36Å; F236-C268 HydrophobicContact CZ-CB 4.45Å; Y258-C268 PolarHBondContact OH-SG 2.83Å; C264-C268 VanDerWaalsContact O-CB 3.32Å; C264-C268 WeakPolarHBondContact O-CB 3.39Å; C264-C268 PolarHBondContact O-N 2.91Å; C268-L272 WeakPolarHBondContact O-CD1 3.49Å; C268-L272 WeakPolarHBondContact O-CG 2.79Å
269	V	92.7	Very high	89.3	Confident	26 Å²	26	54 Å²	54	16%	0.158	29%	0.29	C	S	.	.	I	π-helix	trans	-96.6	-49.3	-178	-177.4	0	0	0	0	111	F236 E265 L272 I277	F236-V269 HydrophobicContact CD2-CG2 4Å; F236-V269 HydrophobicContact CE2-CG2 3.83Å; E265-V269 HydrophobicContact CB-CB 4.36Å; E265-V269 HydrophobicContact CB-CG2 4.34Å; E265-V269 HydrophobicContact CG-CG2 4.14Å; E265-V269 CarbonylContact O-C 3.55Å; E265-V269 WeakPolarHBondContact O-CA 3.13Å; E265-V269 WeakPolarHBondContact O-CB 3.16Å; E265-V269 PolarHBondContact O-N 3.03Å; V269-L272 WeakPolarHBondContact O-CB 3.22Å; V269-L272 WeakPolarHBondContact O-CG 3.5Å; V269-L272 PolarHBondContact O-N 3.2Å; V269-I277 HydrophobicContact CG1-CD1 4.25Å
270	A	89.8	Confident	90.1	Very high	67 Å²	67	54.3 Å²	54.3	55%	0.554	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-39.5	-177.2	0	0	0	0	0	113.7	E265 L272	E265-A270 PolarHBondContact O-N 2.98Å; A270-L272 VanDerWaalsContact C-N 3.27Å; A270-L272 PolarHBondContact O-N 3.34Å
271	P	89.8	Confident	90.9	Very high	92 Å²	92	56.1 Å²	56.1	60%	0.597	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-7.5	177.5	-18.9	35.4	0	0	0	114.9	R267	R267-P271 WeakPolarHBondContact O-CG 3.27Å
272	L	90.5	Very high	91.5	Very high	37 Å²	37	55.1 Å²	55.1	19%	0.194	30%	0.302	C	S	.	.	S	Bend	trans	-67.2	139.5	-177.7	-64.3	171.3	0	0	0	111.1	F236 L241 C268 V269 A270 A274 I277 K327	F236-L272 HydrophobicContact CE2-CD1 4.11Å; F236-L272 HydrophobicContact CZ-CD1 3.82Å; F236-L272 HydrophobicContact CZ-CD2 4.45Å; L241-L272 HydrophobicContact CB-CD1 4.01Å; L241-L272 HydrophobicContact CD1-CD1 4.22Å; L241-L272 HydrophobicContact CD2-CD1 4.07Å; L241-L272 HydrophobicContact CG-CD1 4.33Å; C268-L272 WeakPolarHBondContact O-CD1 3.49Å; C268-L272 WeakPolarHBondContact O-CG 2.79Å; V269-L272 WeakPolarHBondContact O-CB 3.22Å; V269-L272 WeakPolarHBondContact O-CG 3.5Å; V269-L272 PolarHBondContact O-N 3.2Å; A270-L272 VanDerWaalsContact C-N 3.27Å; A270-L272 PolarHBondContact O-N 3.34Å; L272-A274 PolarHBondContact O-N 2.81Å; L272-I277 HydrophobicContact CB-CD1 4.01Å; L272-I277 HydrophobicContact CB-CG1 4.27Å; L272-I277 HydrophobicContact CD1-CD1 4.28Å; L272-I277 HydrophobicContact CD1-CG1 4.26Å; L272-K327 PolarHBondContact O-NZ 2.95Å; L272-K327 VanDerWaalsContact O-NZ 3.14Å
273	P	92.1	Very high	92.2	Very high	88 Å²	88	50.3 Å²	50.3	57%	0.571	28%	0.283	S	S	*	.			trans	-54	139.2	171.2	-23.6	33.3	0	0	0	111.1	R275 A276	P273-R275 PolarHBondContact O-N 3Å; P273-A276 WeakPolarHBondContact O-CB 3.01Å; P273-A276 PolarHBondContact O-N 3.23Å
274	A	93	Very high	93	Very high	23 Å²	23	52.9 Å²	52.9	19%	0.19	30%	0.299	C	S	.	.	H	α-helix	trans	-50.2	-46.8	176.9	0	0	0	0	0	111.7	L272 A276 I277 C278 K327 V331	L272-A274 PolarHBondContact O-N 2.81Å; A274-A276 VanDerWaalsContact C-N 3.28Å; A274-A276 PolarHBondContact O-N 3.14Å; A274-I277 PolarHBondContact O-N 2.02Å; A274-C278 WeakPolarHBondContact O-CB 2.96Å; A274-C278 PolarHBondContact O-N 3.21Å; A274-C278 PolarHBondContact O-SG 3.03Å; A274-K327 WeakPolarHBondContact CB-O 3.33Å; A274-V331 HydrophobicContact CB-CG2 3.63Å
275	R	94	Very high	93.3	Very high	153 Å²	153	54.1 Å²	54.1	58%	0.577	31%	0.312	S	S	*	.	H	α-helix	trans	-53.8	-40.3	178.5	-173.5	173.9	178.9	132.2	-5.5	113.4	P273 I277 S279 V331 Q332	P273-R275 PolarHBondContact O-N 3Å; R275-I277 VanDerWaalsContact C-N 3.3Å; R275-I277 PolarHBondContact O-N 2.92Å; R275-S279 WeakPolarHBondContact O-CB 3.44Å; R275-S279 PolarHBondContact O-N 3.28Å; R275-S279 PolarHBondContact O-OG 2.92Å; R275-V331 HydrophobicContact CB-CG1 4.08Å; R275-V331 HydrophobicContact CG-CG1 4.09Å; R275-Q332 PolarHBondContact NH1-O 3.47Å
276	A	93.6	Very high	93.5	Very high	37 Å²	37	55.1 Å²	55.1	31%	0.306	33%	0.326	S	S	.	.	H	α-helix	trans	-65.1	-34.8	-178.8	0	0	0	0	0	112.5	L241 P273 A274	L241-A276 HydrophobicContact CD1-CB 4.2Å; L241-A276 VanDerWaalsContact CD1-O 3.23Å; L241-A276 WeakPolarHBondContact CD1-O 3.47Å; P273-A276 WeakPolarHBondContact O-CB 3.01Å; P273-A276 PolarHBondContact O-N 3.23Å; A274-A276 VanDerWaalsContact C-N 3.28Å; A274-A276 PolarHBondContact O-N 3.14Å
277	I	95.4	Very high	93.8	Very high	7 Å²	7	50.8 Å²	50.8	4%	0.036	32%	0.318	C	S	.	.	H	α-helix	trans	-80.1	-52.9	176.8	-69	172.6	0	0	0	109.9	L241 V269 L272 A274 R275 S279 L280 A315 N316 F318	L241-I277 HydrophobicContact CD1-CG1 4.33Å; V269-I277 HydrophobicContact CG1-CD1 4.25Å; L272-I277 HydrophobicContact CB-CD1 4.01Å; L272-I277 HydrophobicContact CB-CG1 4.27Å; L272-I277 HydrophobicContact CD1-CD1 4.28Å; L272-I277 HydrophobicContact CD1-CG1 4.26Å; A274-I277 PolarHBondContact O-N 2.02Å; R275-I277 VanDerWaalsContact C-N 3.3Å; R275-I277 PolarHBondContact O-N 2.92Å; I277-S279 VanDerWaalsContact C-N 3.26Å; I277-S279 PolarHBondContact O-N 3.46Å; I277-L280 WeakPolarHBondContact O-CB 3.47Å; I277-L280 WeakPolarHBondContact O-CG 3.35Å; I277-L280 PolarHBondContact O-N 3.4Å; I277-L280 VanDerWaalsContact O-N 3.16Å; I277-A315 HydrophobicContact CB-CB 4.26Å; I277-A315 HydrophobicContact CD1-CB 4.36Å; I277-A315 HydrophobicContact CG1-CB 3.86Å; I277-A315 HydrophobicContact CG2-CB 3.72Å; I277-A315 WeakPolarHBondContact CG2-O 3.49Å; I277-N316 WeakPolarHBondContact O-CB 3.29Å; I277-F318 HydrophobicContact CG2-CZ 4.21Å
278	C	96.7	Very high	94.3	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-73.7	-14.2	-169.4	-52.1	0	0	0	0	113.6	A274 Y296 N316 C328 V331	A274-C278 WeakPolarHBondContact O-CB 2.96Å; A274-C278 PolarHBondContact O-N 3.21Å; A274-C278 PolarHBondContact O-SG 3.03Å; C278-Y296 HydrophobicContact CB-CD1 3.83Å; C278-Y296 HydrophobicContact CB-CG 4.12Å; C278-Y296 WeakPolarHBondContact O-CD1 3.18Å; C278-N316 PolarHBondContact O-ND2 3Å; C278-C328 HydrophobicContact CB-CB 3.68Å; C278-C328 WeakPolarHBondContact CB-SG 3.37Å; C278-C328 WeakPolarHBondContact SG-CA 3.27Å; C278-C328 WeakPolarHBondContact SG-CB 3.37Å; C278-C328 CovalentContact SG-SG 2.02Å; C278-C328 PolarHBondContact SG-SG 3Å; C278-V331 HydrophobicContact CB-CG2 4.05Å
279	S	95.2	Very high	94.5	Very high	63 Å²	63	69.4 Å²	69.4	44%	0.441	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-4.8	173.2	71	0	0	0	0	113.8	R275 I277	R275-S279 WeakPolarHBondContact O-CB 3.44Å; R275-S279 PolarHBondContact O-N 3.28Å; R275-S279 PolarHBondContact O-OG 2.92Å; I277-S279 VanDerWaalsContact C-N 3.26Å; I277-S279 PolarHBondContact O-N 3.46Å
280	L	96.4	Very high	94.6	Very high	32 Å²	32	72.8 Å²	72.8	17%	0.168	41%	0.412	C	S	.	.	S	Bend	trans	-72.5	145.9	177.3	-64.3	172.1	0	0	0	110.4	L241 I277 N314 A315 N316	L241-L280 HydrophobicContact CB-CD1 4.32Å; L241-L280 HydrophobicContact CD1-CD1 3.91Å; L241-L280 HydrophobicContact CG-CD1 4.23Å; I277-L280 WeakPolarHBondContact O-CB 3.47Å; I277-L280 WeakPolarHBondContact O-CG 3.35Å; I277-L280 PolarHBondContact O-N 3.4Å; I277-L280 VanDerWaalsContact O-N 3.16Å; L280-N314 HydrophobicContact CD1-CB 4Å; L280-A315 HydrophobicContact CD1-CB 4.22Å; L280-N316 HydrophobicContact CB-CB 3.97Å; L280-N316 PolarHBondContact O-ND2 2.75Å
281	P	96.5	Very high	95	Very high	95 Å²	95	72.2 Å²	72.2	62%	0.617	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-63.6	158.1	170.8	29.1	-35.3	0	0	0	110.5	N314	P281-N314 PolarHBondContact O-ND2 2.71Å; P281-N314 PolarHBondContact O-OD1 3.34Å
282	N	97.3	Very high	95.4	Very high	54 Å²	54	72 Å²	72	29%	0.289	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-64.2	141.1	166.8	69.5	77.6	0	0	0	110	Y295 F306	N282-Y295 HydrophobicContact CB-CD1 3.67Å; N282-Y295 HydrophobicContact CB-CD2 3.72Å; N282-Y295 HydrophobicContact CB-CE1 3.98Å; N282-Y295 HydrophobicContact CB-CE2 4.02Å; N282-Y295 HydrophobicContact CB-CG 3.53Å; N282-Y295 VanDerWaalsContact ND2-CZ 3.27Å; N282-Y295 PolarHBondContact ND2-OH 3.02Å; N282-F306 HydrophobicContact CB-CD1 4.43Å; N282-F306 HydrophobicContact CB-CD2 4.1Å; N282-F306 HydrophobicContact CB-CE2 4.23Å; N282-F306 HydrophobicContact CB-CG 4.2Å; N282-F306 HydrophobicContact CB-CZ 4.44Å
283	A	97	Very high	95.8	Very high	20 Å²	20	72.6 Å²	72.6	17%	0.165	40%	0.4	C	S	.	.			trans	-118.4	99.5	179.5	0	0	0	0	0	109.7	Y308 E312 N314	A283-Y308 WeakPolarHBondContact O-CD2 3.1Å; A283-E312 WeakPolarHBondContact CB-O 3.39Å; A283-N314 HydrophobicContact CB-CB 4.42Å
284	V	97.5	Very high	96.1	Very high	69 Å²	69	70.4 Å²	70.4	42%	0.418	38%	0.381	S	S	.	.			trans	-63.9	-42.8	179.2	173.6	0	0	0	0	111.3	F306 Y308 T309	V284-F306 HydrophobicContact CG2-CD2 4.31Å; V284-Y308 WeakPolarHBondContact O-CD2 3.35Å; V284-T309 HydrophobicContact CG1-CG2 3.8Å; V284-T309 WeakPolarHBondContact O-CB 3.45Å; V284-T309 WeakPolarHBondContact O-CG2 3.41Å; V284-T309 PolarHBondContact O-N 3.29Å; V284-T309 PolarHBondContact O-OG1 3.04Å
285	G	95.4	Very high	96.3	Very high	26 Å²	26	70.9 Å²	70.9	27%	0.268	38%	0.378	S	S	.	.			trans	76.1	171.7	-175.9	0	0	0	0	0	114.4	T309 C311	G285-T309 WeakPolarHBondContact CA-OG1 3Å; G285-T309 WeakPolarHBondContact O-CG2 3.48Å; G285-T309 PolarHBondContact O-OG1 3.37Å; G285-T309 VanDerWaalsContact O-OG1 3.06Å; G285-C311 WeakPolarHBondContact CA-O 3.28Å
286	S	95.3	Very high	96.5	Very high	86 Å²	86	64 Å²	64	60%	0.601	35%	0.353	S	S	*	.	S	Bend	trans	-100.9	6.1	-174.6	68.1	0	0	0	0	115.6	T309 E312	S286-T309 PolarHBondContact N-OG1 3.16Å; S286-E312 WeakPolarHBondContact CB-OE2 3.39Å; S286-E312 PolarHBondContact N-OE2 3.4Å; S286-E312 PolarHBondContact OG-OE1 3.32Å; S286-E312 PolarHBondContact OG-OE2 3.02Å
287	C	94.4	Very high	96.7	Very high	55 Å²	55	63.1 Å²	63.1	37%	0.372	34%	0.343	S	S	.	.	S	Bend	trans	-82	-173.9	-175.1	-80.7	0	0	0	0	113.4	T309 C311	C287-T309 CarbonylContact C-O 3.56Å; C287-T309 WeakPolarHBondContact CB-O 3.49Å; C287-T309 PolarHBondContact N-OG1 2.84Å; C287-T309 VanDerWaalsContact O-CB 3.27Å; C287-T309 WeakPolarHBondContact O-CB 3.47Å; C287-C311 HydrophobicContact CB-CB 3.98Å; C287-C311 WeakPolarHBondContact CB-SG 3.34Å; C287-C311 WeakPolarHBondContact SG-CB 3.22Å; C287-C311 CovalentContact SG-SG 2.02Å; C287-C311 PolarHBondContact SG-SG 2.83Å
288	R	95.6	Very high	96.5	Very high	251 Å²	251	66.4 Å²	66.4	95%	0.947	36%	0.357	S	S	*	.	S	Bend	trans	-111.3	0.9	-171.8	-59.2	-175.1	-174.7	178.8	1.3	115.5
289	R	95.4	Very high	96.3	Very high	176 Å²	176	75.1 Å²	75.1	66%	0.664	40%	0.398	S	S	*	.			trans	-76.4	160.6	174.4	-59.3	-174.2	173.8	171.1	-1.6	109	L291 T309	R289-L291 HydrophobicContact CB-CD1 4.35Å; R289-L291 HydrophobicContact CB-CD2 4.48Å; R289-L291 HydrophobicContact CB-CG 4.04Å; R289-T309 WeakPolarHBondContact CA-O 3.39Å; R289-T309 VanDerWaalsContact CB-O 3.28Å; R289-T309 WeakPolarHBondContact CB-O 3.33Å; R289-T309 PolarHBondContact N-O 2.72Å; R289-T309 VanDerWaalsContact O-CA 3.24Å; R289-T309 WeakPolarHBondContact O-CA 3.21Å
290	S	96.7	Very high	96.3	Very high	98 Å²	98	74 Å²	74	69%	0.685	39%	0.392	S	S	*	.			trans	-126	94.2	170.1	-175.3	0	0	0	0	107.1	T307	S290-T307 WeakPolarHBondContact OG-CG2 3.45Å
291	L	97.5	Very high	96.1	Very high	54 Å²	54	78.8 Å²	78.8	28%	0.283	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	119.3	-176.1	-57	175.9	0	0	0	108.8	R289 R293 Y308	R289-L291 HydrophobicContact CB-CD1 4.35Å; R289-L291 HydrophobicContact CB-CD2 4.48Å; R289-L291 HydrophobicContact CB-CG 4.04Å; L291-R293 HydrophobicContact CB-CG 4.41Å; L291-R293 PolarHBondContact O-N 3.4Å; L291-Y308 WeakPolarHBondContact CB-O 3.41Å; L291-Y308 HydrophobicContact CD1-CD1 4.06Å; L291-Y308 PolarHBondContact N-O 2.78Å; L291-Y308 PolarHBondContact O-N 2.9Å
292	S	98.1	Very high	96.1	Very high	87 Å²	87	75.7 Å²	75.7	61%	0.608	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.9	123.3	169.6	-173.1	0	0	0	0	109.2
293	R	98.5	Very high	96.1	Very high	51 Å²	51	73.5 Å²	73.5	19%	0.192	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	165.5	-179.2	-66	-61.4	179.1	95	-2.2	109.9	L291 S305 F306 Y308 N317 F318	L291-R293 HydrophobicContact CB-CG 4.41Å; L291-R293 PolarHBondContact O-N 3.4Å; R293-S305 CarbonylContact O-C 3.45Å; R293-S305 WeakPolarHBondContact O-CA 3.27Å; R293-F306 HydrophobicContact CB-CD1 3.94Å; R293-F306 HydrophobicContact CB-CE1 3.44Å; R293-F306 VanDerWaalsContact CB-CE1 3.44Å; R293-F306 HydrophobicContact CB-CZ 3.87Å; R293-F306 PolarHBondContact N-O 3.47Å; R293-F306 WeakPolarHBondContact O-CD1 3.39Å; R293-F306 PolarHBondContact O-N 3.48Å; R293-Y308 HydrophobicContact CG-CD1 4.31Å; R293-Y308 HydrophobicContact CG-CG 4.3Å; R293-N317 WeakPolarHBondContact CB-OD1 3.39Å; R293-N317 WeakPolarHBondContact CD-OD1 3.21Å; R293-N317 VanDerWaalsContact CG-OD1 3.22Å; R293-N317 WeakPolarHBondContact CG-OD1 3.08Å; R293-N317 PolarHBondContact NH1-OD1 2.87Å; R293-F318 WeakPolarHBondContact CA-O 3.34Å; R293-F318 WeakPolarHBondContact CD-O 3.26Å
294	F	98.6	Very high	96.2	Very high	41 Å²	41	78.4 Å²	78.4	18%	0.18	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	146.6	176.8	-66.1	-97.1	0	0	0	110.5	R304 N317 F318 T320 E321 C324	F294-R304 CarbonylContact C-O 3.55Å; F294-R304 VanDerWaalsContact CA-O 3.25Å; F294-R304 WeakPolarHBondContact CA-O 3.44Å; F294-N317 WeakPolarHBondContact O-CA 3.35Å; F294-F318 HydrophobicContact CB-CB 4.34Å; F294-F318 PolarHBondContact N-O 3.47Å; F294-F318 WeakPolarHBondContact O-CD2 3.02Å; F294-F318 PolarHBondContact O-N 3.06Å; F294-T320 VanDerWaalsContact CD2-C 3.45Å; F294-E321 HydrophobicContact CD1-CB 3.76Å; F294-E321 HydrophobicContact CD1-CG 4.06Å; F294-E321 HydrophobicContact CD2-CB 4.46Å; F294-E321 HydrophobicContact CE1-CB 3.62Å; F294-E321 HydrophobicContact CE1-CG 4.06Å; F294-E321 HydrophobicContact CE2-CB 4.36Å; F294-E321 HydrophobicContact CG-CB 4.19Å; F294-E321 HydrophobicContact CZ-CB 3.94Å; F294-C324 HydrophobicContact CB-CB 4.17Å
295	Y	98.3	Very high	96.2	Very high	33 Å²	33	78.9 Å²	78.9	13%	0.129	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	153.1	170.4	77.3	-77.4	0	0	0	109.1	N282 D297 C303 R304 F306 N316	N282-Y295 HydrophobicContact CB-CD1 3.67Å; N282-Y295 HydrophobicContact CB-CD2 3.72Å; N282-Y295 HydrophobicContact CB-CE1 3.98Å; N282-Y295 HydrophobicContact CB-CE2 4.02Å; N282-Y295 HydrophobicContact CB-CG 3.53Å; N282-Y295 VanDerWaalsContact ND2-CZ 3.27Å; N282-Y295 PolarHBondContact ND2-OH 3.02Å; Y295-D297 HydrophobicContact CE2-CB 3.85Å; Y295-D297 PolarHBondContact O-N 2.94Å; Y295-C303 CarbonylContact O-C 3.55Å; Y295-C303 WeakPolarHBondContact O-CA 3.38Å; Y295-R304 HydrophobicContact CD1-CB 4.25Å; Y295-R304 VanDerWaalsContact CD1-O 3.27Å; Y295-R304 WeakPolarHBondContact CD1-O 2.98Å; Y295-R304 HydrophobicContact CE1-CB 3.7Å; Y295-R304 PolarHBondContact N-O 3.44Å; Y295-R304 PolarHBondContact O-N 3.06Å; Y295-F306 HydrophobicContact CD1-CB 4.21Å; Y295-F306 AromaticContact CD1-CD1 3.69Å; Y295-F306 HydrophobicContact CD1-CD1 3.69Å; Y295-F306 HydrophobicContact CD1-CE1 4.35Å; Y295-F306 HydrophobicContact CD1-CG 4.15Å; Y295-F306 HydrophobicContact CE1-CB 4.29Å; Y295-F306 HydrophobicContact CG-CD1 4.39Å; Y295-N316 WeakPolarHBondContact CA-OD1 3.24Å; Y295-N316 WeakPolarHBondContact CB-O 3.39Å
296	Y	98.1	Very high	96.4	Very high	9 Å²	9	78.6 Å²	78.6	4%	0.035	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	116.9	170.4	-172.8	-102.3	0	0	0	109.5	C278 F298 K301 N316 C328 V331	C278-Y296 HydrophobicContact CB-CD1 3.83Å; C278-Y296 HydrophobicContact CB-CG 4.12Å; C278-Y296 WeakPolarHBondContact O-CD1 3.18Å; Y296-F298 HydrophobicContact CE1-CB 4.46Å; Y296-F298 HydrophobicContact CE1-CD2 4.08Å; Y296-K301 WeakPolarHBondContact OH-CA 3.17Å; Y296-N316 PolarHBondContact N-ND2 3.09Å; Y296-N316 PolarHBondContact N-OD1 3.46Å; Y296-N316 PolarHBondContact O-ND2 3.46Å; Y296-C328 HydrophobicContact CD1-CB 4.22Å; Y296-C328 HydrophobicContact CD2-CB 3.44Å; Y296-C328 VanDerWaalsContact CD2-CB 3.44Å; Y296-C328 HydrophobicContact CE2-CB 4.07Å; Y296-C328 HydrophobicContact CG-CB 3.52Å; Y296-V331 HydrophobicContact CE1-CB 4.47Å; Y296-V331 PolarHBondContact OH-O 2.65Å
297	D	96.9	Very high	96.5	Very high	19 Å²	19	78.2 Å²	78.2	10%	0.102	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	108.7	170.6	-175.5	-34	0	0	0	108.3	Y295 E299 A300 K301 A302 R304	Y295-D297 HydrophobicContact CE2-CB 3.85Å; Y295-D297 PolarHBondContact O-N 2.94Å; D297-E299 VanDerWaalsContact C-N 3.33Å; D297-E299 PolarHBondContact O-N 3.45Å; D297-E299 PolarHBondContact OD1-N 2.02Å; D297-A300 HydrophobicContact CB-CB 3.97Å; D297-A300 PolarHBondContact O-N 3.07Å; D297-A300 PolarHBondContact OD1-N 3.02Å; D297-K301 WeakPolarHBondContact O-CA 3.46Å; D297-K301 PolarHBondContact O-N 2.84Å; D297-A302 WeakPolarHBondContact CB-O 3.19Å; D297-A302 PolarHBondContact N-O 3.06Å; D297-A302 PolarHBondContact O-N 3.07Å; D297-R304 HydrophobicContact CB-CG 4.23Å; D297-R304 WeakPolarHBondContact OD2-CD 3.05Å; D297-R304 IonicContact OD2-CZ 3.96Å; D297-R304 VanDerWaalsContact OD2-CZ 3.22Å; D297-R304 IonicContact OD2-NE 3.1Å; D297-R304 PolarHBondContact OD2-NE 2.82Å; D297-R304 IonicContact OD2-NH1 2.65Å; D297-R304 PolarHBondContact OD2-NH1 3.26Å
298	F	91.8	Very high	96.7	Very high	76 Å²	76	76.9 Å²	76.9	33%	0.333	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-32.4	-175	-169.3	-92.9	0	0	0	112.8	Y296 V331	Y296-F298 HydrophobicContact CE1-CB 4.46Å; Y296-F298 HydrophobicContact CE1-CD2 4.08Å; F298-V331 HydrophobicContact CD2-CG1 4.22Å; F298-V331 HydrophobicContact CE2-CG1 3.75Å
299	E	91.8	Very high	96.7	Very high	183 Å²	183	65.8 Å²	65.8	86%	0.855	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-43.1	178.2	-64.1	-174.7	168.8	0	0	110.8	D297 K301	D297-E299 VanDerWaalsContact C-N 3.33Å; D297-E299 PolarHBondContact O-N 3.45Å; D297-E299 PolarHBondContact OD1-N 2.02Å; E299-K301 VanDerWaalsContact C-N 3.29Å; E299-K301 PolarHBondContact O-N 3.16Å
300	A	94.3	Very high	96.6	Very high	39 Å²	39	58.7 Å²	58.7	32%	0.322	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-11.3	178.6	0	0	0	0	0	113.7	D297 A302 R304	D297-A300 HydrophobicContact CB-CB 3.97Å; D297-A300 PolarHBondContact O-N 3.07Å; D297-A300 PolarHBondContact OD1-N 3.02Å; A300-A302 HydrophobicContact CB-CB 4.35Å; A300-A302 PolarHBondContact O-N 2.76Å; A300-R304 VanDerWaalsContact CB-CZ 3.5Å; A300-R304 VanDerWaalsContact CB-NH2 3.33Å
301	K	93.7	Very high	96.3	Very high	132 Å²	132	55.5 Å²	55.5	57%	0.574	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	39.4	-172.2	-59.4	-171.3	176.4	-166.8	0	113.1	Y296 D297 E299	Y296-K301 WeakPolarHBondContact OH-CA 3.17Å; D297-K301 WeakPolarHBondContact O-CA 3.46Å; D297-K301 PolarHBondContact O-N 2.84Å; E299-K301 VanDerWaalsContact C-N 3.29Å; E299-K301 PolarHBondContact O-N 3.16Å
302	A	95.8	Very high	96	Very high	30 Å²	30	58.8 Å²	58.8	25%	0.248	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	150.4	-172.4	0	0	0	0	0	111.6	D297 A300	D297-A302 WeakPolarHBondContact CB-O 3.19Å; D297-A302 PolarHBondContact N-O 3.06Å; D297-A302 PolarHBondContact O-N 3.07Å; A300-A302 HydrophobicContact CB-CB 4.35Å; A300-A302 PolarHBondContact O-N 2.76Å
303	C	98.3	Very high	95.8	Very high	8 Å²	8	55 Å²	55	5%	0.054	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	126.9	168.1	-68.9	0	0	0	0	109.7	Y295 E321 C324 F325	Y295-C303 CarbonylContact O-C 3.55Å; Y295-C303 WeakPolarHBondContact O-CA 3.38Å; C303-E321 HydrophobicContact CB-CG 4.1Å; C303-C324 HydrophobicContact CB-CB 3.76Å; C303-C324 WeakPolarHBondContact CB-SG 3.25Å; C303-C324 WeakPolarHBondContact SG-CB 3.45Å; C303-C324 CovalentContact SG-SG 2.03Å; C303-C324 PolarHBondContact SG-SG 3.49Å; C303-F325 HydrophobicContact CB-CD1 4.48Å; C303-F325 HydrophobicContact CB-CD2 4.1Å; C303-F325 HydrophobicContact CB-CE1 4.19Å; C303-F325 HydrophobicContact CB-CE2 3.79Å; C303-F325 HydrophobicContact CB-CG 4.43Å; C303-F325 HydrophobicContact CB-CZ 3.84Å; C303-F325 PolarHBondContact SG-N 3.19Å; C303-F325 VanDerWaalsContact SG-N 3.37Å
304	R	98.2	Very high	95.7	Very high	124 Å²	124	53.4 Å²	53.4	47%	0.468	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	145.6	180	-69.4	-177.1	172.8	178.6	-7.9	110.3	F294 Y295 D297 A300	F294-R304 CarbonylContact C-O 3.55Å; F294-R304 VanDerWaalsContact CA-O 3.25Å; F294-R304 WeakPolarHBondContact CA-O 3.44Å; Y295-R304 HydrophobicContact CD1-CB 4.25Å; Y295-R304 VanDerWaalsContact CD1-O 3.27Å; Y295-R304 WeakPolarHBondContact CD1-O 2.98Å; Y295-R304 HydrophobicContact CE1-CB 3.7Å; Y295-R304 PolarHBondContact N-O 3.44Å; Y295-R304 PolarHBondContact O-N 3.06Å; D297-R304 HydrophobicContact CB-CG 4.23Å; D297-R304 WeakPolarHBondContact OD2-CD 3.05Å; D297-R304 IonicContact OD2-CZ 3.96Å; D297-R304 VanDerWaalsContact OD2-CZ 3.22Å; D297-R304 IonicContact OD2-NE 3.1Å; D297-R304 PolarHBondContact OD2-NE 2.82Å; D297-R304 IonicContact OD2-NH1 2.65Å; D297-R304 PolarHBondContact OD2-NH1 3.26Å; A300-R304 VanDerWaalsContact CB-CZ 3.5Å; A300-R304 VanDerWaalsContact CB-NH2 3.33Å
305	S	98.3	Very high	95.6	Very high	78 Å²	78	52.1 Å²	52.1	55%	0.545	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	150.9	173.9	61.1	0	0	0	0	111.5	R293	R293-S305 CarbonylContact O-C 3.45Å; R293-S305 WeakPolarHBondContact O-CA 3.27Å
306	F	98.3	Very high	95.6	Very high	21 Å²	21	50.5 Å²	50.5	9%	0.092	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	162.2	171.9	77.6	-70.3	0	0	0	110.5	N282 V284 R293 Y295 Y308 N317	N282-F306 HydrophobicContact CB-CD1 4.43Å; N282-F306 HydrophobicContact CB-CD2 4.1Å; N282-F306 HydrophobicContact CB-CE2 4.23Å; N282-F306 HydrophobicContact CB-CG 4.2Å; N282-F306 HydrophobicContact CB-CZ 4.44Å; V284-F306 HydrophobicContact CG2-CD2 4.31Å; R293-F306 HydrophobicContact CB-CD1 3.94Å; R293-F306 HydrophobicContact CB-CE1 3.44Å; R293-F306 VanDerWaalsContact CB-CE1 3.44Å; R293-F306 HydrophobicContact CB-CZ 3.87Å; R293-F306 PolarHBondContact N-O 3.47Å; R293-F306 WeakPolarHBondContact O-CD1 3.39Å; R293-F306 PolarHBondContact O-N 3.48Å; Y295-F306 HydrophobicContact CD1-CB 4.21Å; Y295-F306 AromaticContact CD1-CD1 3.69Å; Y295-F306 HydrophobicContact CD1-CD1 3.69Å; Y295-F306 HydrophobicContact CD1-CE1 4.35Å; Y295-F306 HydrophobicContact CD1-CG 4.15Å; Y295-F306 HydrophobicContact CE1-CB 4.29Å; Y295-F306 HydrophobicContact CG-CD1 4.39Å; F306-Y308 HydrophobicContact CE2-CD2 4.46Å; F306-N317 HydrophobicContact CZ-CB 4.22Å
307	T	98.1	Very high	95.6	Very high	77 Å²	77	51.2 Å²	51.2	47%	0.472	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	111.5	176.5	-57.3	0	0	0	0	109.9	S290	S290-T307 WeakPolarHBondContact OG-CG2 3.45Å
308	Y	97.9	Very high	95.6	Very high	27 Å²	27	51.5 Å²	51.5	11%	0.106	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	131.8	173.5	177.6	-126.1	0	0	0	111.3	A283 V284 L291 R293 F306 G310 C311 G313 N317	A283-Y308 WeakPolarHBondContact O-CD2 3.1Å; V284-Y308 WeakPolarHBondContact O-CD2 3.35Å; L291-Y308 WeakPolarHBondContact CB-O 3.41Å; L291-Y308 HydrophobicContact CD1-CD1 4.06Å; L291-Y308 PolarHBondContact N-O 2.78Å; L291-Y308 PolarHBondContact O-N 2.9Å; R293-Y308 HydrophobicContact CG-CD1 4.31Å; R293-Y308 HydrophobicContact CG-CG 4.3Å; F306-Y308 HydrophobicContact CE2-CD2 4.46Å; Y308-G310 VanDerWaalsContact C-N 3.35Å; Y308-G310 VanDerWaalsContact CZ-C 3.42Å; Y308-G310 PolarHBondContact O-N 2.94Å; Y308-G310 VanDerWaalsContact OH-C 3.26Å; Y308-G310 PolarHBondContact OH-O 2.91Å; Y308-C311 WeakPolarHBondContact CE2-O 3.48Å; Y308-C311 WeakPolarHBondContact OH-CA 3.48Å; Y308-C311 PolarHBondContact OH-N 3.47Å; Y308-C311 VanDerWaalsContact OH-N 3.16Å; Y308-C311 PolarHBondContact OH-O 2.84Å; Y308-G313 VanDerWaalsContact CE2-CA 3.5Å; Y308-G313 PolarHBondContact OH-N 3.11Å; Y308-N317 WeakPolarHBondContact CD2-ND2 3.42Å; Y308-N317 VanDerWaalsContact CG-ND2 3.34Å
309	T	97.1	Very high	95.9	Very high	18 Å²	18	56.6 Å²	56.6	11%	0.11	29%	0.292	C	S	.	.			trans	-85.9	-5.5	-173.6	64.6	0	0	0	0	115.1	V284 G285 S286 C287 R289	V284-T309 HydrophobicContact CG1-CG2 3.8Å; V284-T309 WeakPolarHBondContact O-CB 3.45Å; V284-T309 WeakPolarHBondContact O-CG2 3.41Å; V284-T309 PolarHBondContact O-N 3.29Å; V284-T309 PolarHBondContact O-OG1 3.04Å; G285-T309 WeakPolarHBondContact CA-OG1 3Å; G285-T309 WeakPolarHBondContact O-CG2 3.48Å; G285-T309 PolarHBondContact O-OG1 3.37Å; G285-T309 VanDerWaalsContact O-OG1 3.06Å; S286-T309 PolarHBondContact N-OG1 3.16Å; C287-T309 CarbonylContact C-O 3.56Å; C287-T309 WeakPolarHBondContact CB-O 3.49Å; C287-T309 PolarHBondContact N-OG1 2.84Å; C287-T309 VanDerWaalsContact O-CB 3.27Å; C287-T309 WeakPolarHBondContact O-CB 3.47Å; R289-T309 WeakPolarHBondContact CA-O 3.39Å; R289-T309 VanDerWaalsContact CB-O 3.28Å; R289-T309 WeakPolarHBondContact CB-O 3.33Å; R289-T309 PolarHBondContact N-O 2.72Å; R289-T309 VanDerWaalsContact O-CA 3.24Å; R289-T309 WeakPolarHBondContact O-CA 3.21Å
310	G	92.4	Very high	96.2	Very high	27 Å²	27	50.8 Å²	50.8	28%	0.278	27%	0.269	S	S	.	.	S	Bend	trans	103.3	-8	174	0	0	0	0	0	115.6	Y308	Y308-G310 VanDerWaalsContact C-N 3.35Å; Y308-G310 VanDerWaalsContact CZ-C 3.42Å; Y308-G310 PolarHBondContact O-N 2.94Å; Y308-G310 VanDerWaalsContact OH-C 3.26Å; Y308-G310 PolarHBondContact OH-O 2.91Å
311	C	90.6	Very high	96.3	Very high	32 Å²	32	53.4 Å²	53.4	22%	0.216	27%	0.274	C	S	.	.	S	Bend	trans	-141	171.2	171.7	67.5	0	0	0	0	111.5	G285 C287 Y308 G313	G285-C311 WeakPolarHBondContact CA-O 3.28Å; C287-C311 HydrophobicContact CB-CB 3.98Å; C287-C311 WeakPolarHBondContact CB-SG 3.34Å; C287-C311 WeakPolarHBondContact SG-CB 3.22Å; C287-C311 CovalentContact SG-SG 2.02Å; C287-C311 PolarHBondContact SG-SG 2.83Å; Y308-C311 WeakPolarHBondContact CE2-O 3.48Å; Y308-C311 WeakPolarHBondContact OH-CA 3.48Å; Y308-C311 PolarHBondContact OH-N 3.47Å; Y308-C311 VanDerWaalsContact OH-N 3.16Å; Y308-C311 PolarHBondContact OH-O 2.84Å; C311-G313 PolarHBondContact O-N 2.92Å
312	E	91.4	Very high	96.6	Very high	122 Å²	122	50.5 Å²	50.5	57%	0.57	28%	0.275	S	S	*	.	S	Bend	trans	59.9	16.5	177	-59	166.2	-179.2	0	0	114.7	A283 S286	A283-E312 WeakPolarHBondContact CB-O 3.39Å; S286-E312 WeakPolarHBondContact CB-OE2 3.39Å; S286-E312 PolarHBondContact N-OE2 3.4Å; S286-E312 PolarHBondContact OG-OE1 3.32Å; S286-E312 PolarHBondContact OG-OE2 3.02Å
313	G	93.6	Very high	96.6	Very high	8 Å²	8	53.1 Å²	53.1	8%	0.082	28%	0.282	C	S	.	.			trans	-68.6	157	171.5	0	0	0	0	0	111.8	Y308 C311	Y308-G313 VanDerWaalsContact CE2-CA 3.5Å; Y308-G313 PolarHBondContact OH-N 3.11Å; C311-G313 PolarHBondContact O-N 2.92Å
314	N	97.1	Very high	96.6	Very high	17 Å²	17	52.8 Å²	52.8	9%	0.091	28%	0.28	C	S	.	.			trans	-112.4	-177.1	168.6	68	33.7	0	0	0	110	S240 L280 P281 A283 N316 N317	S240-N314 CarbonylContact O-C 3.49Å; S240-N314 VanDerWaalsContact O-CA 3.22Å; S240-N314 WeakPolarHBondContact O-CA 3.2Å; S240-N314 VanDerWaalsContact O-CB 3.27Å; S240-N314 WeakPolarHBondContact O-CB 3.5Å; L280-N314 HydrophobicContact CD1-CB 4Å; P281-N314 PolarHBondContact O-ND2 2.71Å; P281-N314 PolarHBondContact O-OD1 3.34Å; A283-N314 HydrophobicContact CB-CB 4.42Å; N314-N316 PolarHBondContact O-N 3.29Å; N314-N316 PolarHBondContact OD1-N 3.24Å; N314-N317 VanDerWaalsContact O-CB 3.29Å; N314-N317 WeakPolarHBondContact O-CB 3.35Å
315	A	96.3	Very high	96.6	Very high	14 Å²	14	50.4 Å²	50.4	12%	0.116	27%	0.273	C	S	.	.	S	Bend	trans	-67.5	-19.2	-174.7	0	0	0	0	0	114.6	S240 L241 V242 I277 L280 N317	S240-A315 PolarHBondContact O-N 3.46Å; L241-A315 HydrophobicContact CB-CB 3.8Å; L241-A315 WeakPolarHBondContact O-CB 3.23Å; V242-A315 HydrophobicContact CG1-CB 4.24Å; I277-A315 HydrophobicContact CB-CB 4.26Å; I277-A315 HydrophobicContact CD1-CB 4.36Å; I277-A315 HydrophobicContact CG1-CB 3.86Å; I277-A315 HydrophobicContact CG2-CB 3.72Å; I277-A315 WeakPolarHBondContact CG2-O 3.49Å; L280-A315 HydrophobicContact CD1-CB 4.22Å; A315-N317 PolarHBondContact O-N 2.84Å
316	N	97.8	Very high	96.5	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.281	C	S	.	.	S	Bend	trans	-81	58.2	175.3	-161.6	10.4	0	0	0	110.8	I277 C278 L280 Y295 Y296 N314 F318	I277-N316 WeakPolarHBondContact O-CB 3.29Å; C278-N316 PolarHBondContact O-ND2 3Å; L280-N316 HydrophobicContact CB-CB 3.97Å; L280-N316 PolarHBondContact O-ND2 2.75Å; Y295-N316 WeakPolarHBondContact CA-OD1 3.24Å; Y295-N316 WeakPolarHBondContact CB-O 3.39Å; Y296-N316 PolarHBondContact N-ND2 3.09Å; Y296-N316 PolarHBondContact N-OD1 3.46Å; Y296-N316 PolarHBondContact O-ND2 3.46Å; N314-N316 PolarHBondContact O-N 3.29Å; N314-N316 PolarHBondContact OD1-N 3.24Å; N316-F318 WeakPolarHBondContact OD1-CE2 2.98Å
317	N	97.7	Very high	96.3	Very high	24 Å²	24	52.6 Å²	52.6	13%	0.128	29%	0.289	C	S	.	.			trans	-148	91.4	-173.5	-175.3	-33.3	0	0	0	109.5	R293 F294 F306 Y308 N314 A315	R293-N317 WeakPolarHBondContact CB-OD1 3.39Å; R293-N317 WeakPolarHBondContact CD-OD1 3.21Å; R293-N317 VanDerWaalsContact CG-OD1 3.22Å; R293-N317 WeakPolarHBondContact CG-OD1 3.08Å; R293-N317 PolarHBondContact NH1-OD1 2.87Å; F294-N317 WeakPolarHBondContact O-CA 3.35Å; F306-N317 HydrophobicContact CZ-CB 4.22Å; Y308-N317 WeakPolarHBondContact CD2-ND2 3.42Å; Y308-N317 VanDerWaalsContact CG-ND2 3.34Å; N314-N317 VanDerWaalsContact O-CB 3.29Å; N314-N317 WeakPolarHBondContact O-CB 3.35Å; A315-N317 PolarHBondContact O-N 2.84Å
318	F	97.6	Very high	96.3	Very high	24 Å²	24	49 Å²	49	11%	0.105	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-99.8	149.9	-176.4	-55.8	-82.1	0	0	0	111	I277 R293 F294 N316 E323 C324 K327	I277-F318 HydrophobicContact CG2-CZ 4.21Å; R293-F318 WeakPolarHBondContact CA-O 3.34Å; R293-F318 WeakPolarHBondContact CD-O 3.26Å; F294-F318 HydrophobicContact CB-CB 4.34Å; F294-F318 PolarHBondContact N-O 3.47Å; F294-F318 WeakPolarHBondContact O-CD2 3.02Å; F294-F318 PolarHBondContact O-N 3.06Å; N316-F318 WeakPolarHBondContact OD1-CE2 2.98Å; F318-E323 HydrophobicContact CB-CB 4.09Å; F318-E323 HydrophobicContact CD1-CB 4.14Å; F318-E323 HydrophobicContact CG-CB 4.49Å; F318-C324 HydrophobicContact CB-CB 3.91Å; F318-C324 HydrophobicContact CD2-CB 3.42Å; F318-C324 VanDerWaalsContact CD2-CB 3.42Å; F318-C324 HydrophobicContact CE2-CB 4.04Å; F318-C324 HydrophobicContact CG-CB 3.69Å; F318-K327 HydrophobicContact CE1-CB 3.72Å; F318-K327 HydrophobicContact CE1-CG 3.97Å; F318-K327 HydrophobicContact CZ-CB 3.88Å; F318-K327 HydrophobicContact CZ-CG 3.95Å
319	R	97.1	Very high	96	Very high	184 Å²	184	51.6 Å²	51.6	69%	0.694	29%	0.289	S	S	*	.	S	Bend	trans	-77.7	-32	179	-63.9	-180	177.4	180	0.5	111.6	E323	R319-E323 WeakPolarHBondContact CB-OE2 3.49Å; R319-E323 PolarHBondContact N-OE2 2.95Å
320	T	98.1	Very high	95.6	Very high	61 Å²	61	55.2 Å²	55.2	37%	0.374	32%	0.315	S	S	.	.	S	Bend	trans	-129.8	156.9	-179.6	68.1	0	0	0	0	111.1	F294 A322 E323 C324	F294-T320 VanDerWaalsContact CD2-C 3.45Å; T320-A322 VanDerWaalsContact C-N 3.29Å; T320-A322 PolarHBondContact O-N 3.24Å; T320-E323 PolarHBondContact N-OE2 3.45Å; T320-E323 PolarHBondContact O-N 2.86Å; T320-E323 WeakPolarHBondContact OG1-CB 3.39Å; T320-E323 VanDerWaalsContact OG1-CG 3.24Å; T320-E323 WeakPolarHBondContact OG1-CG 3.24Å; T320-E323 PolarHBondContact OG1-N 3.48Å; T320-C324 PolarHBondContact O-N 2.03Å
321	E	97.9	Very high	95.4	Very high	93 Å²	93	54.5 Å²	54.5	44%	0.435	31%	0.305	S	S	.	.	H	α-helix	trans	-62.2	-38.8	174.3	-169.8	174.3	-155.6	0	0	111.7	F294 C303 E323 C324 F325	F294-E321 HydrophobicContact CD1-CB 3.76Å; F294-E321 HydrophobicContact CD1-CG 4.06Å; F294-E321 HydrophobicContact CD2-CB 4.46Å; F294-E321 HydrophobicContact CE1-CB 3.62Å; F294-E321 HydrophobicContact CE1-CG 4.06Å; F294-E321 HydrophobicContact CE2-CB 4.36Å; F294-E321 HydrophobicContact CG-CB 4.19Å; F294-E321 HydrophobicContact CZ-CB 3.94Å; C303-E321 HydrophobicContact CB-CG 4.1Å; E321-E323 PolarHBondContact O-N 3.37Å; E321-C324 WeakPolarHBondContact O-CB 3.33Å; E321-C324 PolarHBondContact O-N 3.17Å; E321-C324 VanDerWaalsContact O-N 3.17Å; E321-F325 HydrophobicContact CG-CD2 3.76Å; E321-F325 HydrophobicContact CG-CE2 3.56Å; E321-F325 WeakPolarHBondContact O-CD2 3.39Å; E321-F325 PolarHBondContact O-N 3.38Å
322	A	98.1	Very high	94.7	Very high	72 Å²	72	61.7 Å²	61.7	60%	0.595	34%	0.335	S	S	*	.	H	α-helix	trans	-61.6	-41.4	177.4	0	0	0	0	0	112.4	T320 C324 F325 A326	T320-A322 VanDerWaalsContact C-N 3.29Å; T320-A322 PolarHBondContact O-N 3.24Å; A322-C324 VanDerWaalsContact C-N 3.33Å; A322-C324 PolarHBondContact O-N 3.27Å; A322-F325 PolarHBondContact O-N 3.46Å; A322-A326 WeakPolarHBondContact O-CB 3.43Å; A322-A326 PolarHBondContact O-N 2.94Å
323	E	97.5	Very high	94.9	Very high	85 Å²	85	58.7 Å²	58.7	40%	0.397	32%	0.324	S	S	.	.	H	α-helix	trans	-60.4	-43.3	173.4	-77.7	166.1	-157.5	0	0	111.8	F318 R319 T320 E321 A326 K327	F318-E323 HydrophobicContact CB-CB 4.09Å; F318-E323 HydrophobicContact CD1-CB 4.14Å; F318-E323 HydrophobicContact CG-CB 4.49Å; R319-E323 WeakPolarHBondContact CB-OE2 3.49Å; R319-E323 PolarHBondContact N-OE2 2.95Å; T320-E323 PolarHBondContact N-OE2 3.45Å; T320-E323 PolarHBondContact O-N 2.86Å; T320-E323 WeakPolarHBondContact OG1-CB 3.39Å; T320-E323 VanDerWaalsContact OG1-CG 3.24Å; T320-E323 WeakPolarHBondContact OG1-CG 3.24Å; T320-E323 PolarHBondContact OG1-N 3.48Å; E321-E323 PolarHBondContact O-N 3.37Å; E323-A326 PolarHBondContact O-N 2.83Å; E323-K327 PolarHBondContact O-N 2.85Å; E323-K327 VanDerWaalsContact O-N 3.09Å
324	C	98.2	Very high	95	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-61.2	-50.9	177.4	174.8	0	0	0	0	111.2	F294 C303 F318 T320 E321 A322 A326 K327 C328	F294-C324 HydrophobicContact CB-CB 4.17Å; C303-C324 HydrophobicContact CB-CB 3.76Å; C303-C324 WeakPolarHBondContact CB-SG 3.25Å; C303-C324 WeakPolarHBondContact SG-CB 3.45Å; C303-C324 CovalentContact SG-SG 2.03Å; C303-C324 PolarHBondContact SG-SG 3.49Å; F318-C324 HydrophobicContact CB-CB 3.91Å; F318-C324 HydrophobicContact CD2-CB 3.42Å; F318-C324 VanDerWaalsContact CD2-CB 3.42Å; F318-C324 HydrophobicContact CE2-CB 4.04Å; F318-C324 HydrophobicContact CG-CB 3.69Å; T320-C324 PolarHBondContact O-N 2.03Å; E321-C324 WeakPolarHBondContact O-CB 3.33Å; E321-C324 PolarHBondContact O-N 3.17Å; E321-C324 VanDerWaalsContact O-N 3.17Å; A322-C324 VanDerWaalsContact C-N 3.33Å; A322-C324 PolarHBondContact O-N 3.27Å; C324-A326 PolarHBondContact O-N 3.48Å; C324-K327 PolarHBondContact O-N 2.91Å; C324-C328 VanDerWaalsContact O-CB 3.26Å; C324-C328 WeakPolarHBondContact O-CB 3.19Å; C324-C328 PolarHBondContact O-N 3.42Å
325	F	97.1	Very high	94.8	Very high	75 Å²	75	63.8 Å²	63.8	33%	0.329	35%	0.35	S	S	.	.	H	α-helix	trans	-65.3	-39.5	178.6	-79.9	-61.3	0	0	0	112.5	C303 E321 A322 K327 C328 S329	C303-F325 HydrophobicContact CB-CD1 4.48Å; C303-F325 HydrophobicContact CB-CD2 4.1Å; C303-F325 HydrophobicContact CB-CE1 4.19Å; C303-F325 HydrophobicContact CB-CE2 3.79Å; C303-F325 HydrophobicContact CB-CG 4.43Å; C303-F325 HydrophobicContact CB-CZ 3.84Å; C303-F325 PolarHBondContact SG-N 3.19Å; C303-F325 VanDerWaalsContact SG-N 3.37Å; E321-F325 HydrophobicContact CG-CD2 3.76Å; E321-F325 HydrophobicContact CG-CE2 3.56Å; E321-F325 WeakPolarHBondContact O-CD2 3.39Å; E321-F325 PolarHBondContact O-N 3.38Å; A322-F325 PolarHBondContact O-N 3.46Å; F325-K327 PolarHBondContact O-N 2.87Å; F325-C328 PolarHBondContact O-N 2.81Å; F325-S329 WeakPolarHBondContact O-CB 3.34Å; F325-S329 PolarHBondContact O-N 3.32Å; F325-S329 PolarHBondContact O-OG 3.48Å
326	A	96.1	Very high	94.8	Very high	85 Å²	85	66.8 Å²	66.8	70%	0.702	36%	0.364	S	S	*	.	H	α-helix	trans	-58.8	-36.8	176.7	0	0	0	0	0	111.9	A322 E323 C324	A322-A326 WeakPolarHBondContact O-CB 3.43Å; A322-A326 PolarHBondContact O-N 2.94Å; E323-A326 PolarHBondContact O-N 2.83Å; C324-A326 PolarHBondContact O-N 3.48Å
327	K	94.8	Very high	94.6	Very high	60 Å²	60	70.9 Å²	70.9	26%	0.261	39%	0.387	S	S	.	.	H	α-helix	trans	-82.9	-37.7	177.3	-173.4	59.7	173.7	179	0	113.3	L272 A274 F318 E323 C324 F325	L272-K327 PolarHBondContact O-NZ 2.95Å; L272-K327 VanDerWaalsContact O-NZ 3.14Å; A274-K327 WeakPolarHBondContact CB-O 3.33Å; F318-K327 HydrophobicContact CE1-CB 3.72Å; F318-K327 HydrophobicContact CE1-CG 3.97Å; F318-K327 HydrophobicContact CZ-CB 3.88Å; F318-K327 HydrophobicContact CZ-CG 3.95Å; E323-K327 PolarHBondContact O-N 2.85Å; E323-K327 VanDerWaalsContact O-N 3.09Å; C324-K327 PolarHBondContact O-N 2.91Å; F325-K327 PolarHBondContact O-N 2.87Å
328	C	97.1	Very high	94.4	Very high	0 Å²	0	74.1 Å²	74.1	0%	0	40%	0.404	C	S	.	.	H	α-helix	trans	-113.7	-12.1	-162.1	-59.7	0	0	0	0	116	C278 Y296 C324 F325 S330 V331	C278-C328 HydrophobicContact CB-CB 3.68Å; C278-C328 WeakPolarHBondContact CB-SG 3.37Å; C278-C328 WeakPolarHBondContact SG-CA 3.27Å; C278-C328 WeakPolarHBondContact SG-CB 3.37Å; C278-C328 CovalentContact SG-SG 2.02Å; C278-C328 PolarHBondContact SG-SG 3Å; Y296-C328 HydrophobicContact CD1-CB 4.22Å; Y296-C328 HydrophobicContact CD2-CB 3.44Å; Y296-C328 VanDerWaalsContact CD2-CB 3.44Å; Y296-C328 HydrophobicContact CE2-CB 4.07Å; Y296-C328 HydrophobicContact CG-CB 3.52Å; C324-C328 VanDerWaalsContact O-CB 3.26Å; C324-C328 WeakPolarHBondContact O-CB 3.19Å; C324-C328 PolarHBondContact O-N 3.42Å; F325-C328 PolarHBondContact O-N 2.81Å; C328-S330 PolarHBondContact O-N 3.26Å; C328-S330 VanDerWaalsContact O-N 3.11Å; C328-V331 WeakPolarHBondContact O-CB 3.44Å; C328-V331 WeakPolarHBondContact O-CG2 3.37Å; C328-V331 PolarHBondContact O-N 3.45Å
329	S	92.4	Very high	94.1	Very high	83 Å²	83	77.6 Å²	77.6	58%	0.58	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-24.8	-175.2	53.4	0	0	0	0	115	F325	F325-S329 WeakPolarHBondContact O-CB 3.34Å; F325-S329 PolarHBondContact O-N 3.32Å; F325-S329 PolarHBondContact O-OG 3.48Å
330	S	89.3	Confident	93.9	Very high	93 Å²	93	69.5 Å²	69.5	65%	0.65	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-3.9	178.6	61.4	0	0	0	0	114.1	C328 Q332	C328-S330 PolarHBondContact O-N 3.26Å; C328-S330 VanDerWaalsContact O-N 3.11Å; S330-Q332 PolarHBondContact O-N 3.47Å
331	V	87.5	Confident	93.5	Very high	12 Å²	12	70.2 Å²	70.2	7%	0.073	41%	0.407	C	S	.	.			trans	-76.9	115.5	-178.9	-178.3	0	0	0	0	108.8	A274 R275 C278 Y296 F298 C328	A274-V331 HydrophobicContact CB-CG2 3.63Å; R275-V331 HydrophobicContact CB-CG1 4.08Å; R275-V331 HydrophobicContact CG-CG1 4.09Å; C278-V331 HydrophobicContact CB-CG2 4.05Å; Y296-V331 HydrophobicContact CE1-CB 4.47Å; Y296-V331 PolarHBondContact OH-O 2.65Å; F298-V331 HydrophobicContact CD2-CG1 4.22Å; F298-V331 HydrophobicContact CE2-CG1 3.75Å; C328-V331 WeakPolarHBondContact O-CB 3.44Å; C328-V331 WeakPolarHBondContact O-CG2 3.37Å; C328-V331 PolarHBondContact O-N 3.45Å
332	Q	76.6	Confident	93.2	Very high	184 Å²	184	68.1 Å²	68.1	86%	0.86	40%	0.404	S	S	*	.			trans	-94.4	0	174.5	-65.7	-177.8	3.4	0	0	112.3	R275 S330	R275-Q332 PolarHBondContact NH1-O 3.47Å; S330-Q332 PolarHBondContact O-N 3.47Å

Retrieved 332 of 332 residues in 656.5 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).