A0A087XUI6_POEFO Loading...

Pseudouridylate synthase 3

AlphaFold DB , UniProt , Accession A0A087XUI6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 436 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	53.6	Low	78.5	Confident	231 Å²	231	116.3 Å²	116.3	100%	1.138	60%	0.601	S	S	*	*				0	67.2	0	-66.8	-158.8	-71.6	0	0	110.8
2	S	62.7	Low	79.1	Confident	78 Å²	78	112.8 Å²	112.8	55%	0.545	58%	0.583	S	S	.	*			trans	-152.7	-34.5	179.3	178.7	0	0	0	0	112.1	I6	S2-I6 WeakPolarHBondContact O-CD1 3.2Å; S2-I6 VanDerWaalsContact O-CG1 3.3Å; S2-I6 WeakPolarHBondContact O-CG1 3.23Å; S2-I6 PolarHBondContact O-N 3.26Å
3	G	70.6	Confident	79.9	Confident	50 Å²	50	112.8 Å²	112.8	52%	0.515	58%	0.579	S	S	.	*	H	α-helix	trans	-64.8	-49.7	174.6	0	0	0	0	0	113.9	L5 I6 Q7	G3-L5 VanDerWaalsContact C-N 3.26Å; G3-L5 PolarHBondContact O-N 3.34Å; G3-I6 PolarHBondContact O-N 3.46Å; G3-Q7 PolarHBondContact O-N 3.44Å
4	D	76.1	Confident	80.6	Confident	128 Å²	128	112.1 Å²	112.1	68%	0.684	58%	0.577	S	S	*	*	H	α-helix	trans	-64.5	-31.7	-175.8	-54.4	-22.8	0	0	0	112.9	R8	D4-R8 WeakPolarHBondContact O-CB 3.34Å; D4-R8 PolarHBondContact O-N 2.66Å
5	L	75.8	Confident	81.2	Confident	119 Å²	119	111.9 Å²	111.9	62%	0.623	57%	0.573	S	S	*	*	H	α-helix	trans	-73	-41	179.4	-126.7	130.8	0	0	0	111.1	G3 Q7 R8 I9	G3-L5 VanDerWaalsContact C-N 3.26Å; G3-L5 PolarHBondContact O-N 3.34Å; L5-Q7 VanDerWaalsContact C-N 3.32Å; L5-R8 PolarHBondContact O-N 3.31Å; L5-I9 HydrophobicContact CD2-CD1 4.35Å; L5-I9 VanDerWaalsContact O-CG1 3.28Å; L5-I9 WeakPolarHBondContact O-CG1 3.09Å; L5-I9 PolarHBondContact O-N 3.02Å
6	I	84.8	Confident	81.3	Confident	94 Å²	94	111.1 Å²	111.1	48%	0.482	57%	0.569	S	S	.	*	H	α-helix	trans	-65.7	-39.3	174.9	-66	168.4	0	0	0	110.3	S2 G3 I9 K10	S2-I6 WeakPolarHBondContact O-CD1 3.2Å; S2-I6 VanDerWaalsContact O-CG1 3.3Å; S2-I6 WeakPolarHBondContact O-CG1 3.23Å; S2-I6 PolarHBondContact O-N 3.26Å; G3-I6 PolarHBondContact O-N 3.46Å; I6-I9 PolarHBondContact O-N 3.23Å; I6-K10 PolarHBondContact O-N 3.08Å; I6-K10 VanDerWaalsContact O-N 3.09Å
7	Q	87.1	Confident	81.6	Confident	126 Å²	126	112.9 Å²	112.9	59%	0.589	57%	0.574	S	S	*	*	H	α-helix	trans	-67.6	-37.3	177	-165.6	167.8	6	0	0	111.9	G3 L5 L11	G3-Q7 PolarHBondContact O-N 3.44Å; L5-Q7 VanDerWaalsContact C-N 3.32Å; Q7-L11 WeakPolarHBondContact O-CG 3.37Å; Q7-L11 PolarHBondContact O-N 3.24Å; Q7-L11 VanDerWaalsContact O-N 3.12Å
8	R	88.2	Confident	81.9	Confident	148 Å²	148	114.7 Å²	114.7	56%	0.558	58%	0.578	S	S	*	*	H	α-helix	trans	-67.1	-38.2	174.3	-172.9	58.9	174.9	174.5	4.6	112.4	D4 L5 L11 L12	D4-R8 WeakPolarHBondContact O-CB 3.34Å; D4-R8 PolarHBondContact O-N 2.66Å; L5-R8 PolarHBondContact O-N 3.31Å; R8-L11 PolarHBondContact O-N 2.9Å; R8-L12 HydrophobicContact CG-CD1 4.17Å; R8-L12 VanDerWaalsContact O-CG 3.27Å; R8-L12 WeakPolarHBondContact O-CG 3.37Å; R8-L12 PolarHBondContact O-N 3.44Å; R8-L12 VanDerWaalsContact O-N 3.09Å
9	I	86.8	Confident	81.8	Confident	80 Å²	80	113.4 Å²	113.4	41%	0.41	57%	0.572	S	S	.	*	H	α-helix	trans	-63.7	-47.7	176.7	-71.1	165.5	0	0	0	110.5	L5 I6 L11 L12 E13	L5-I9 HydrophobicContact CD2-CD1 4.35Å; L5-I9 VanDerWaalsContact O-CG1 3.28Å; L5-I9 WeakPolarHBondContact O-CG1 3.09Å; L5-I9 PolarHBondContact O-N 3.02Å; I6-I9 PolarHBondContact O-N 3.23Å; I9-L11 VanDerWaalsContact C-N 3.34Å; I9-L11 PolarHBondContact O-N 3.05Å; I9-L12 PolarHBondContact O-N 2.92Å; I9-L12 VanDerWaalsContact O-N 3.11Å; I9-E13 HydrophobicContact CG2-CG 4.4Å; I9-E13 WeakPolarHBondContact O-CG 3.48Å; I9-E13 PolarHBondContact O-N 3.15Å
10	K	87.7	Confident	81.6	Confident	130 Å²	130	116.8 Å²	116.8	57%	0.565	58%	0.578	S	S	*	*	H	α-helix	trans	-59.6	-42.7	177.4	-76.2	-174.7	174.4	-174.6	0	113	I6 L12 E13 D14	I6-K10 PolarHBondContact O-N 3.08Å; I6-K10 VanDerWaalsContact O-N 3.09Å; K10-L12 VanDerWaalsContact C-N 3.29Å; K10-L12 PolarHBondContact O-N 3.41Å; K10-E13 PolarHBondContact O-N 2.91Å; K10-D14 PolarHBondContact O-N 3.44Å
11	L	90.4	Very high	81.3	Confident	95 Å²	95	114 Å²	114	50%	0.497	57%	0.569	S	S	.	*	H	α-helix	trans	-61.4	-38.4	176.2	-80.2	167.1	0	0	0	112.5	Q7 R8 I9 E15	Q7-L11 WeakPolarHBondContact O-CG 3.37Å; Q7-L11 PolarHBondContact O-N 3.24Å; Q7-L11 VanDerWaalsContact O-N 3.12Å; R8-L11 PolarHBondContact O-N 2.9Å; I9-L11 VanDerWaalsContact C-N 3.34Å; I9-L11 PolarHBondContact O-N 3.05Å; L11-E15 WeakPolarHBondContact O-CB 3.36Å; L11-E15 PolarHBondContact O-N 2.92Å; L11-E15 VanDerWaalsContact O-N 3.11Å
12	L	85.1	Confident	82.5	Confident	74 Å²	74	108.3 Å²	108.3	39%	0.387	54%	0.54	S	S	.	.	H	α-helix	trans	-72.7	-34	178	-70.8	169.4	0	0	0	112.3	R8 I9 K10 L16	R8-L12 HydrophobicContact CG-CD1 4.17Å; R8-L12 VanDerWaalsContact O-CG 3.27Å; R8-L12 WeakPolarHBondContact O-CG 3.37Å; R8-L12 PolarHBondContact O-N 3.44Å; R8-L12 VanDerWaalsContact O-N 3.09Å; I9-L12 PolarHBondContact O-N 2.92Å; I9-L12 VanDerWaalsContact O-N 3.11Å; K10-L12 VanDerWaalsContact C-N 3.29Å; K10-L12 PolarHBondContact O-N 3.41Å; L12-L16 WeakPolarHBondContact O-CB 3.45Å; L12-L16 PolarHBondContact O-N 2.96Å
13	E	89.6	Confident	83	Confident	114 Å²	114	110.5 Å²	110.5	53%	0.533	55%	0.545	S	S	.	.	H	α-helix	trans	-64.9	-46	174.3	-72.3	172.8	160.9	0	0	111.1	I9 K10 E15 L16 E17	I9-E13 HydrophobicContact CG2-CG 4.4Å; I9-E13 WeakPolarHBondContact O-CG 3.48Å; I9-E13 PolarHBondContact O-N 3.15Å; K10-E13 PolarHBondContact O-N 2.91Å; E13-E15 VanDerWaalsContact C-N 3.34Å; E13-E15 PolarHBondContact O-N 2.7Å; E13-L16 PolarHBondContact O-N 3.39Å; E13-E17 PolarHBondContact O-N 2.81Å
14	D	89.9	Confident	82.7	Confident	102 Å²	102	113.3 Å²	113.3	55%	0.545	55%	0.548	S	S	.	.	H	α-helix	trans	-63.5	-38.2	176.6	-72.2	-16.9	0	0	0	112.4	K10 E17 K18	K10-D14 PolarHBondContact O-N 3.44Å; D14-E17 PolarHBondContact O-N 3.08Å; D14-K18 PolarHBondContact O-N 3.36Å; D14-K18 VanDerWaalsContact O-N 3.11Å
15	E	89.6	Confident	81.8	Confident	110 Å²	110	114 Å²	114	51%	0.514	55%	0.547	S	S	.	.	H	α-helix	trans	-69.1	-38.7	177.7	-168.1	169.7	-156.7	0	0	111.6	L11 E13 K18 L19	L11-E15 WeakPolarHBondContact O-CB 3.36Å; L11-E15 PolarHBondContact O-N 2.92Å; L11-E15 VanDerWaalsContact O-N 3.11Å; E13-E15 VanDerWaalsContact C-N 3.34Å; E13-E15 PolarHBondContact O-N 2.7Å; E15-K18 PolarHBondContact O-N 2.9Å; E15-L19 HydrophobicContact CG-CD1 4.45Å; E15-L19 WeakPolarHBondContact O-CG 3.36Å; E15-L19 PolarHBondContact O-N 3.31Å
16	L	83.1	Confident	80.5	Confident	99 Å²	99	111.6 Å²	111.6	52%	0.518	54%	0.54	S	S	.	.	H	α-helix	trans	-64.1	-38.5	173.6	-89.8	166	0	0	0	112.5	L12 E13 L19 R20	L12-L16 WeakPolarHBondContact O-CB 3.45Å; L12-L16 PolarHBondContact O-N 2.96Å; E13-L16 PolarHBondContact O-N 3.39Å; L16-L19 PolarHBondContact O-N 3.47Å; L16-R20 WeakPolarHBondContact O-CB 3.48Å; L16-R20 VanDerWaalsContact O-CG 3.29Å; L16-R20 WeakPolarHBondContact O-CG 3.29Å; L16-R20 PolarHBondContact O-N 2.84Å
17	E	87.1	Confident	78.7	Confident	141 Å²	141	110.4 Å²	110.4	66%	0.659	54%	0.541	S	S	*	.	H	α-helix	trans	-69.9	-39.2	179.2	-164.8	153.8	-155.3	0	0	111.7	E13 D14 R20 S21	E13-E17 PolarHBondContact O-N 2.81Å; D14-E17 PolarHBondContact O-N 3.08Å; E17-R20 PolarHBondContact O-N 3.36Å; E17-S21 PolarHBondContact O-N 3.31Å; E17-S21 PolarHBondContact O-OG 3.2Å
18	K	85.4	Confident	76.7	Confident	146 Å²	146	110.9 Å²	110.9	64%	0.635	55%	0.547	S	S	*	.	H	α-helix	trans	-62.2	-41.8	170.4	-86.2	-179.4	176.7	174	0	113.4	D14 E15 R20 S21 Q22	D14-K18 PolarHBondContact O-N 3.36Å; D14-K18 VanDerWaalsContact O-N 3.11Å; E15-K18 PolarHBondContact O-N 2.9Å; K18-R20 VanDerWaalsContact C-N 3.32Å; K18-S21 PolarHBondContact O-N 2.86Å; K18-S21 PolarHBondContact O-OG 2.9Å; K18-Q22 WeakPolarHBondContact O-CB 3.41Å; K18-Q22 VanDerWaalsContact O-CG 3.29Å; K18-Q22 WeakPolarHBondContact O-CG 3.46Å; K18-Q22 PolarHBondContact O-N 2.96Å
19	L	80.1	Confident	74.4	Confident	90 Å²	90	112.7 Å²	112.7	47%	0.471	56%	0.56	S	S	.	*	H	α-helix	trans	-67.9	-35.4	178.5	-74	168.7	0	0	0	111.5	E15 L16 L23	E15-L19 HydrophobicContact CG-CD1 4.45Å; E15-L19 WeakPolarHBondContact O-CG 3.36Å; E15-L19 PolarHBondContact O-N 3.31Å; L16-L19 PolarHBondContact O-N 3.47Å; L19-L23 PolarHBondContact O-N 2.8Å
20	R	79.1	Confident	72.1	Confident	181 Å²	181	116.8 Å²	116.8	68%	0.683	58%	0.579	S	S	*	*	H	α-helix	trans	-67.3	-40.3	175.2	-75.8	174.8	-179	-133.4	2	112.6	L16 E17 K18 L23 N24	L16-R20 WeakPolarHBondContact O-CB 3.48Å; L16-R20 VanDerWaalsContact O-CG 3.29Å; L16-R20 WeakPolarHBondContact O-CG 3.29Å; L16-R20 PolarHBondContact O-N 2.84Å; E17-R20 PolarHBondContact O-N 3.36Å; K18-R20 VanDerWaalsContact C-N 3.32Å; R20-L23 PolarHBondContact O-N 3.17Å; R20-N24 PolarHBondContact O-N 3.25Å; R20-N24 VanDerWaalsContact O-N 3.13Å
21	S	75.4	Confident	69.9	Low	57 Å²	57	118.8 Å²	118.8	40%	0.399	59%	0.592	S	S	.	*	H	α-helix	trans	-66.8	-41.1	175.7	61.3	0	0	0	0	111.7	E17 K18 L23 N24 E25	E17-S21 PolarHBondContact O-N 3.31Å; E17-S21 PolarHBondContact O-OG 3.2Å; K18-S21 PolarHBondContact O-N 2.86Å; K18-S21 PolarHBondContact O-OG 2.9Å; S21-L23 VanDerWaalsContact C-N 3.32Å; S21-L23 PolarHBondContact O-N 3.28Å; S21-N24 PolarHBondContact O-N 2.91Å; S21-E25 PolarHBondContact O-N 3Å
22	Q	78.5	Confident	67.4	Low	112 Å²	112	119.4 Å²	119.4	52%	0.523	61%	0.605	S	S	.	*	H	α-helix	trans	-62.2	-36.7	174.4	-73.4	175.9	-1.9	0	0	112.9	K18 S26	K18-Q22 WeakPolarHBondContact O-CB 3.41Å; K18-Q22 VanDerWaalsContact O-CG 3.29Å; K18-Q22 WeakPolarHBondContact O-CG 3.46Å; K18-Q22 PolarHBondContact O-N 2.96Å; Q22-S26 WeakPolarHBondContact O-CB 3.37Å; Q22-S26 PolarHBondContact O-N 3.03Å; Q22-S26 PolarHBondContact O-OG 3.5Å
23	L	71.9	Confident	65	Low	125 Å²	125	124.4 Å²	124.4	65%	0.654	63%	0.632	S	S	*	*	H	α-helix	trans	-67.9	-36.6	176.3	-135.8	99.8	0	0	0	112.3	L19 R20 S21 S26 S27	L19-L23 PolarHBondContact O-N 2.8Å; R20-L23 PolarHBondContact O-N 3.17Å; S21-L23 VanDerWaalsContact C-N 3.32Å; S21-L23 PolarHBondContact O-N 3.28Å; L23-S26 WeakPolarHBondContact CA-OG 3.48Å; L23-S26 PolarHBondContact O-OG 3.45Å; L23-S27 PolarHBondContact O-N 2.94Å; L23-S27 VanDerWaalsContact O-N 3.14Å
24	N	64.3	Low	62.3	Low	109 Å²	109	122 Å²	122	58%	0.583	64%	0.638	S	S	*	*	H	α-helix	trans	-70	-42.3	176	-78.7	-11.5	0	0	0	111.4	R20 S21 S26 S27 D28	R20-N24 PolarHBondContact O-N 3.25Å; R20-N24 VanDerWaalsContact O-N 3.13Å; S21-N24 PolarHBondContact O-N 2.91Å; N24-S26 PolarHBondContact O-N 3.41Å; N24-S27 PolarHBondContact O-N 3.42Å; N24-S27 PolarHBondContact O-OG 3.5Å; N24-D28 PolarHBondContact O-N 3.41Å
25	E	57.7	Low	59.8	Low	141 Å²	141	125 Å²	125	66%	0.659	65%	0.654	S	S	*	*	H	α-helix	trans	-66.3	-35.1	176.9	-73.2	-178.3	172.3	0	0	112.8	S21 S27 D28 F29	S21-E25 PolarHBondContact O-N 3Å; E25-S27 VanDerWaalsContact C-N 3.33Å; E25-D28 PolarHBondContact O-N 3.49Å; E25-F29 PolarHBondContact O-N 3.08Å
26	S	48.8	Very low	57.2	Low	69 Å²	69	126 Å²	126	48%	0.483	67%	0.668	S	S	.	*	H	α-helix	trans	-75.9	-20.2	175.7	42.8	0	0	0	0	113.4	Q22 L23 N24	Q22-S26 WeakPolarHBondContact O-CB 3.37Å; Q22-S26 PolarHBondContact O-N 3.03Å; Q22-S26 PolarHBondContact O-OG 3.5Å; L23-S26 WeakPolarHBondContact CA-OG 3.48Å; L23-S26 PolarHBondContact O-OG 3.45Å; N24-S26 PolarHBondContact O-N 3.41Å
27	S	47.4	Very low	54.9	Low	70 Å²	70	132.7 Å²	132.7	49%	0.49	69%	0.686	S	S	.	*	H	α-helix	trans	-73.7	-29.6	170	78.5	0	0	0	0	113.1	L23 N24 E25	L23-S27 PolarHBondContact O-N 2.94Å; L23-S27 VanDerWaalsContact O-N 3.14Å; N24-S27 PolarHBondContact O-N 3.42Å; N24-S27 PolarHBondContact O-OG 3.5Å; E25-S27 VanDerWaalsContact C-N 3.33Å
28	D	43.9	Very low	52.3	Low	136 Å²	136	131.9 Å²	131.9	73%	0.727	70%	0.696	S	S	*	*	H	α-helix	trans	-79.2	-22.2	178.2	-86.2	-17.8	0	0	0	113.2	N24 E25	N24-D28 PolarHBondContact O-N 3.41Å; E25-D28 PolarHBondContact O-N 3.49Å
29	F	41.2	Very low	50	Low	186 Å²	186	129.6 Å²	129.6	82%	0.816	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	-12.5	-178.1	-135.4	-92.6	0	0	0	114.6	E25	E25-F29 PolarHBondContact O-N 3.08Å
30	M	38.3	Very low	48	Very low	166 Å²	166	135.2 Å²	135.2	82%	0.818	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94	6.6	-176.7	-77.6	-91.1	158.5	0	0	114.3
31	M	40.6	Very low	46	Very low	172 Å²	172	136 Å²	136	85%	0.847	73%	0.727	S	S	*	*	S	Bend	trans	-117.6	32.1	-176.2	-70.1	-67.7	174.8	0	0	114.5
32	S	38.4	Very low	44.4	Very low	108 Å²	108	142.8 Å²	142.8	76%	0.755	75%	0.75	S	S	*	*			trans	-130.3	65	176.4	177.2	0	0	0	0	112.3
33	D	35.1	Very low	42.9	Very low	178 Å²	178	143.3 Å²	143.3	95%	0.952	77%	0.766	S	S	*	*			trans	-162.6	135.9	141.9	-132.6	-16.5	0	0	0	111.9
34	G	32	Very low	41.9	Very low	65 Å²	65	140.3 Å²	140.3	67%	0.67	77%	0.765	S	S	*	*			trans	121.3	73.6	170	0	0	0	0	0	117.5	T36	G34-T36 PolarHBondContact O-N 3.4Å
35	N	38.4	Very low	41.5	Very low	163 Å²	163	144.7 Å²	144.7	87%	0.872	78%	0.779	S	S	*	*			trans	-16.4	114.7	158	-164.6	15.1	0	0	0	117.4
36	T	33.8	Very low	41.5	Very low	133 Å²	133	146.2 Å²	146.2	82%	0.816	79%	0.786	S	S	*	*			trans	-158.8	130.3	150.5	-5.2	0	0	0	0	113.3	G34	G34-T36 PolarHBondContact O-N 3.4Å
37	R	34.9	Very low	42.9	Very low	239 Å²	239	153.4 Å²	153.4	90%	0.902	80%	0.802	S	S	*	*			trans	-13.2	122.1	174.7	-71.1	171.8	174.2	170.1	-2.3	117.4	S39	R37-S39 PolarHBondContact O-N 2.77Å
38	S	34.2	Very low	44.8	Very low	123 Å²	123	156 Å²	156	86%	0.86	82%	0.817	S	S	*	*			trans	-63.8	99.1	173	60.9	0	0	0	0	112.9
39	S	36.9	Very low	47	Very low	98 Å²	98	152 Å²	152	69%	0.685	79%	0.793	S	S	*	*			trans	-96.9	111.4	148.2	76.7	0	0	0	0	107.8	R37 K41	R37-S39 PolarHBondContact O-N 2.77Å; S39-K41 VanDerWaalsContact C-N 3.34Å; S39-K41 PolarHBondContact O-N 3.29Å
40	K	36.5	Very low	49.4	Very low	209 Å²	209	146.8 Å²	146.8	91%	0.909	77%	0.774	S	S	*	*			trans	-60.2	92.7	172.1	-78	178.5	175.5	176.1	0	109.3	K42	K40-K42 PolarHBondContact O-N 2.75Å
41	K	38.3	Very low	52	Low	197 Å²	197	141.3 Å²	141.3	86%	0.857	75%	0.746	S	S	*	*			trans	-72.4	103.9	163.2	-95.4	-177.4	176.6	175.2	0	107.4	S39 S43	S39-K41 VanDerWaalsContact C-N 3.34Å; S39-K41 PolarHBondContact O-N 3.29Å; K41-S43 PolarHBondContact O-N 2.86Å; K41-S43 VanDerWaalsContact O-N 3.15Å
42	K	40.9	Very low	54.3	Low	200 Å²	200	137.1 Å²	137.1	87%	0.87	73%	0.733	S	S	*	*			trans	-54.6	117.5	164.1	-77.2	178.8	174.7	177.5	0	107.7	K40 G44	K40-K42 PolarHBondContact O-N 2.75Å; K42-G44 PolarHBondContact O-N 2.75Å
43	S	48.6	Very low	56.7	Low	123 Å²	123	133.4 Å²	133.4	86%	0.86	71%	0.707	S	S	*	*			trans	-66.4	83.2	165.6	56.9	0	0	0	0	108.2	K41 K45	K41-S43 PolarHBondContact O-N 2.86Å; K41-S43 VanDerWaalsContact O-N 3.15Å; S43-K45 PolarHBondContact O-N 2.72Å
44	G	50.1	Low	59.4	Low	61 Å²	61	127 Å²	127	63%	0.629	67%	0.672	S	S	*	*			trans	-63.7	126.1	171.5	0	0	0	0	0	108.6	K42 E46	K42-G44 PolarHBondContact O-N 2.75Å; G44-E46 PolarHBondContact O-N 3.3Å; G44-E46 VanDerWaalsContact O-N 3.11Å
45	K	55.1	Low	62.4	Low	201 Å²	201	124 Å²	124	87%	0.874	64%	0.64	S	S	*	*			trans	-49.3	120.6	164.6	-76.7	-179.2	175.1	-178.8	0	107.4	S43 R47	S43-K45 PolarHBondContact O-N 2.72Å; K45-R47 PolarHBondContact O-N 2.73Å
46	E	58.1	Low	65.1	Low	173 Å²	173	121.5 Å²	121.5	81%	0.808	62%	0.619	S	S	*	*			trans	-56.8	114	175.9	-74.1	-168	152.8	0	0	108.3	G44	G44-E46 PolarHBondContact O-N 3.3Å; G44-E46 VanDerWaalsContact O-N 3.11Å
47	R	79.3	Confident	68.1	Low	221 Å²	221	116.3 Å²	116.3	83%	0.834	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-69.6	130.1	173.4	-69.5	-178.2	-179.3	175	-1.2	107.6	K45	K45-R47 PolarHBondContact O-N 2.73Å
48	P	85.8	Confident	71.1	Confident	123 Å²	123	105 Å²	105	80%	0.799	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-53.8	143	174.1	-24	33.1	0	0	0	110.7	D50	P48-D50 PolarHBondContact O-N 3.31Å
49	F	91.8	Very high	74.1	Confident	52 Å²	52	99.1 Å²	99.1	23%	0.228	50%	0.5	C	S	.	.	P	Polyproline II helix	trans	-70	128.5	176	-176.7	-92.6	0	0	0	109.9	F51 H54 R95 R127	F49-F51 HydrophobicContact CD1-CD1 4.16Å; F49-F51 AromaticContact CD1-CD2 3.79Å; F49-F51 HydrophobicContact CD1-CD2 3.79Å; F49-F51 HydrophobicContact CD1-CE1 4.06Å; F49-F51 AromaticContact CD1-CE2 3.68Å; F49-F51 HydrophobicContact CD1-CE2 3.68Å; F49-F51 HydrophobicContact CD1-CG 4.02Å; F49-F51 AromaticContact CD1-CZ 3.81Å; F49-F51 HydrophobicContact CD1-CZ 3.81Å; F49-F51 HydrophobicContact CE1-CD1 4.03Å; F49-F51 HydrophobicContact CE1-CD2 4.4Å; F49-F51 HydrophobicContact CE1-CE1 4.11Å; F49-F51 HydrophobicContact CE1-CE2 4.48Å; F49-F51 HydrophobicContact CE1-CG 4.18Å; F49-F51 HydrophobicContact CE1-CZ 4.33Å; F49-F51 PolarHBondContact O-N 3.11Å; F49-H54 AromaticContact CE1-ND1 3.94Å; F49-H54 AromaticContact CE2-CE1 3.96Å; F49-H54 AromaticContact CZ-CE1 3.38Å; F49-H54 WeakPolarHBondContact CZ-CE1 3.31Å; F49-H54 AromaticContact CZ-ND1 3.59Å; F49-H54 AromaticContact CZ-NE2 3.79Å; F49-R95 HydrophobicContact CB-CG 4.42Å; F49-R95 HydrophobicContact CD1-CB 4.29Å; F49-R95 HydrophobicContact CG-CB 4.31Å; F49-R95 HydrophobicContact CG-CG 4.41Å; F49-R127 VanDerWaalsContact CZ-CD 3.45Å
50	D	90.9	Very high	77.1	Confident	78 Å²	78	94.4 Å²	94.4	42%	0.417	47%	0.468	S	S	.	.			trans	-89.5	105.2	179.9	172.2	31.3	0	0	0	111.2	P48 S52 S53 H54	P48-D50 PolarHBondContact O-N 3.31Å; D50-S52 VanDerWaalsContact C-N 3.34Å; D50-S52 WeakPolarHBondContact OD1-CB 3.24Å; D50-S52 PolarHBondContact OD1-N 3.27Å; D50-S52 PolarHBondContact OD1-OG 2.79Å; D50-S52 PolarHBondContact OD2-OG 3.44Å; D50-S53 PolarHBondContact O-OG 2.81Å; D50-S53 VanDerWaalsContact O-OG 3.13Å; D50-S53 WeakPolarHBondContact OD2-CB 3.46Å; D50-S53 PolarHBondContact OD2-N 2.92Å; D50-S53 PolarHBondContact OD2-OG 2.77Å; D50-H54 PolarHBondContact O-ND1 2.75Å
51	F	92.3	Very high	80	Confident	50 Å²	50	84.5 Å²	84.5	22%	0.219	43%	0.425	C	S	.	.	S	Bend	trans	-73.8	-24.2	176.2	-73.5	-88.9	0	0	0	112.9	F49 S53 H54 R95 I97 Q98	F49-F51 HydrophobicContact CD1-CD1 4.16Å; F49-F51 AromaticContact CD1-CD2 3.79Å; F49-F51 HydrophobicContact CD1-CD2 3.79Å; F49-F51 HydrophobicContact CD1-CE1 4.06Å; F49-F51 AromaticContact CD1-CE2 3.68Å; F49-F51 HydrophobicContact CD1-CE2 3.68Å; F49-F51 HydrophobicContact CD1-CG 4.02Å; F49-F51 AromaticContact CD1-CZ 3.81Å; F49-F51 HydrophobicContact CD1-CZ 3.81Å; F49-F51 HydrophobicContact CE1-CD1 4.03Å; F49-F51 HydrophobicContact CE1-CD2 4.4Å; F49-F51 HydrophobicContact CE1-CE1 4.11Å; F49-F51 HydrophobicContact CE1-CE2 4.48Å; F49-F51 HydrophobicContact CE1-CG 4.18Å; F49-F51 HydrophobicContact CE1-CZ 4.33Å; F49-F51 PolarHBondContact O-N 3.11Å; F51-S53 PolarHBondContact O-N 3.12Å; F51-H54 PolarHBondContact O-N 3.06Å; F51-R95 HydrophobicContact CZ-CB 4.25Å; F51-I97 VanDerWaalsContact CE1-C 3.43Å; F51-I97 VanDerWaalsContact CZ-C 3.43Å; F51-I97 WeakPolarHBondContact CZ-O 3.35Å; F51-Q98 HydrophobicContact CD1-CB 4.27Å; F51-Q98 HydrophobicContact CD2-CB 3.81Å; F51-Q98 HydrophobicContact CD2-CG 4.06Å; F51-Q98 HydrophobicContact CE1-CB 4.33Å; F51-Q98 HydrophobicContact CE2-CB 3.87Å; F51-Q98 HydrophobicContact CE2-CG 4.22Å; F51-Q98 HydrophobicContact CG-CB 4.02Å; F51-Q98 HydrophobicContact CZ-CB 4.15Å
52	S	89.4	Confident	82.8	Confident	84 Å²	84	76.4 Å²	76.4	59%	0.587	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-19.4	-176.4	73.4	0	0	0	0	113.4	D50 H54 P140	D50-S52 VanDerWaalsContact C-N 3.34Å; D50-S52 WeakPolarHBondContact OD1-CB 3.24Å; D50-S52 PolarHBondContact OD1-N 3.27Å; D50-S52 PolarHBondContact OD1-OG 2.79Å; D50-S52 PolarHBondContact OD2-OG 3.44Å; S52-H54 VanDerWaalsContact C-N 3.33Å; S52-P140 WeakPolarHBondContact O-CB 3.3Å; S52-P140 WeakPolarHBondContact O-CG 3.49Å
53	S	89.6	Confident	85.5	Confident	30 Å²	30	66.9 Å²	66.9	21%	0.21	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	8.4	177.1	55.4	0	0	0	0	114.7	D50 F51 K148	D50-S53 PolarHBondContact O-OG 2.81Å; D50-S53 VanDerWaalsContact O-OG 3.13Å; D50-S53 WeakPolarHBondContact OD2-CB 3.46Å; D50-S53 PolarHBondContact OD2-N 2.92Å; D50-S53 PolarHBondContact OD2-OG 2.77Å; F51-S53 PolarHBondContact O-N 3.12Å; S53-K148 PolarHBondContact O-NZ 2.99Å; S53-K148 VanDerWaalsContact O-NZ 3.15Å
54	H	91.3	Very high	87.9	Confident	44 Å²	44	61.6 Å²	61.6	20%	0.204	31%	0.312	C	S	.	.	S	Bend	trans	-130.6	138.1	-177	-62.2	82.1	0	0	0	111.9	F49 D50 F51 S52 R127 P140	F49-H54 AromaticContact CE1-ND1 3.94Å; F49-H54 AromaticContact CE2-CE1 3.96Å; F49-H54 AromaticContact CZ-CE1 3.38Å; F49-H54 WeakPolarHBondContact CZ-CE1 3.31Å; F49-H54 AromaticContact CZ-ND1 3.59Å; F49-H54 AromaticContact CZ-NE2 3.79Å; D50-H54 PolarHBondContact O-ND1 2.75Å; F51-H54 PolarHBondContact O-N 3.06Å; S52-H54 VanDerWaalsContact C-N 3.33Å; H54-R127 HydrophobicContact CB-CG 3.91Å; H54-P140 WeakPolarHBondContact O-CG 3.34Å
55	P	93.7	Very high	90.1	Very high	1 Å²	1	59.1 Å²	59.1	1%	0.006	28%	0.283	C	S	.	.			trans	-59.4	160.4	168.5	-23	33.9	0	0	0	112	S128 Q130 F131 V137 T138 L139	P55-S128 PolarHBondContact O-N 2.99Å; P55-Q130 WeakPolarHBondContact CG-O 3.41Å; P55-F131 HydrophobicContact CG-CD1 3.62Å; P55-F131 HydrophobicContact CG-CE1 3.82Å; P55-F131 HydrophobicContact CG-CG 4.05Å; P55-F131 HydrophobicContact CG-CZ 4.32Å; P55-V137 HydrophobicContact CB-CG1 4.17Å; P55-T138 WeakPolarHBondContact CA-O 3.25Å; P55-L139 HydrophobicContact CB-CD2 4.07Å; P55-L139 HydrophobicContact CG-CD2 3.79Å
56	R	95.4	Very high	92.1	Very high	112 Å²	112	51.6 Å²	51.6	42%	0.423	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	154.4	166.3	-66.1	-179.3	-67.9	168.8	0.8	109.4	L126 V137 T138	R56-L126 CarbonylContact C-O 3.54Å; R56-L126 WeakPolarHBondContact CA-O 3.44Å; R56-V137 CarbonylContact O-C 3.52Å; R56-V137 VanDerWaalsContact O-CA 3.31Å; R56-V137 WeakPolarHBondContact O-CA 3.48Å; R56-T138 PolarHBondContact N-O 3.03Å; R56-T138 PolarHBondContact O-N 3.44Å
57	R	96.6	Very high	94	Very high	24 Å²	24	43.4 Å²	43.4	9%	0.091	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	127.4	171.7	-176.7	-175	-74.9	-123.8	-13.1	109.5	V59 D125 L126 G136 V137 E155	R57-V59 HydrophobicContact CB-CG1 4.27Å; R57-V59 HydrophobicContact CG-CG1 3.73Å; R57-V59 PolarHBondContact O-N 3.31Å; R57-D125 WeakPolarHBondContact O-CA 3.28Å; R57-L126 PolarHBondContact N-O 2.86Å; R57-L126 PolarHBondContact O-N 3.1Å; R57-G136 CarbonylContact C-O 3.52Å; R57-G136 VanDerWaalsContact CA-O 3.24Å; R57-G136 WeakPolarHBondContact CA-O 3.35Å; R57-V137 HydrophobicContact CB-CG2 4.3Å; R57-V137 HydrophobicContact CG-CG2 4.16Å; R57-E155 IonicContact CZ-OE2 3.78Å; R57-E155 IonicContact NE-OE2 3.23Å; R57-E155 PolarHBondContact NE-OE2 3.5Å; R57-E155 IonicContact NH2-OE2 2.69Å
58	H	98	Very high	94.7	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	122.8	167.3	-163.7	62.4	0	0	0	109.9	N104 D125 G136 A178 E179 F182	H58-N104 PolarHBondContact CE1-ND2 3.03Å; H58-N104 PolarHBondContact ND1-ND2 2.74Å; H58-D125 WeakPolarHBondContact CB-OD1 3.3Å; H58-D125 IonicContact CE1-OD1 3.45Å; H58-D125 IonicContact CG-OD1 3.34Å; H58-D125 IonicContact ND1-OD1 2.96Å; H58-D125 PolarHBondContact ND1-OD1 2.94Å; H58-G136 PolarHBondContact N-O 2.72Å; H58-A178 PolarHBondContact O-N 3.15Å; H58-E179 PolarHBondContact CD2-O 3.08Å; H58-E179 VanDerWaalsContact CD2-O 3.23Å; H58-F182 PolarHBondContact NE2-O 3.06Å
59	V	98.2	Very high	95.1	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	155.1	-177	-57.7	0	0	0	0	111.7	R57 L61 T123 I124 L126 Y158 W175 A176	R57-V59 HydrophobicContact CB-CG1 4.27Å; R57-V59 HydrophobicContact CG-CG1 3.73Å; R57-V59 PolarHBondContact O-N 3.31Å; V59-L61 HydrophobicContact CG2-CD2 4.18Å; V59-L61 HydrophobicContact CG2-CG 4.22Å; V59-T123 CarbonylContact O-C 3.59Å; V59-T123 WeakPolarHBondContact O-CA 3.35Å; V59-I124 HydrophobicContact CG2-CG2 4.12Å; V59-I124 WeakPolarHBondContact CG2-O 3.42Å; V59-I124 PolarHBondContact N-O 3.11Å; V59-I124 PolarHBondContact O-N 3.41Å; V59-L126 HydrophobicContact CG2-CD1 3.56Å; V59-L126 HydrophobicContact CG2-CG 3.74Å; V59-Y158 HydrophobicContact CG1-CE2 4.24Å; V59-W175 HydrophobicContact CB-CE3 4.07Å; V59-W175 HydrophobicContact CG1-CE3 3.62Å; V59-W175 HydrophobicContact CG1-CZ3 3.72Å; V59-A176 CarbonylContact C-O 3.5Å; V59-A176 WeakPolarHBondContact CA-O 3.4Å; V59-A176 WeakPolarHBondContact CB-O 3.18Å
60	A	98.5	Very high	95.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	130.8	160.2	0	0	0	0	0	109.7	V121 I122 T123 W175 A176 L328 W330	A60-V121 HydrophobicContact CB-CG1 4.22Å; A60-I122 CarbonylContact C-O 3.58Å; A60-I122 VanDerWaalsContact CA-O 3.27Å; A60-I122 WeakPolarHBondContact CA-O 3.3Å; A60-T123 HydrophobicContact CB-CG2 3.85Å; A60-W175 CarbonylContact O-C 3.58Å; A60-W175 WeakPolarHBondContact O-CA 3.38Å; A60-A176 HydrophobicContact CB-CB 4.47Å; A60-A176 PolarHBondContact N-O 3.26Å; A60-A176 PolarHBondContact O-N 3Å; A60-L328 HydrophobicContact CB-CD1 3.73Å; A60-L328 HydrophobicContact CB-CD2 4.23Å; A60-W330 HydrophobicContact CB-CH2 4.04Å; A60-W330 HydrophobicContact CB-CZ3 4.31Å
61	L	98.4	Very high	95.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	133.4	172.1	-63.5	179.9	0	0	0	109.7	V59 L63 V121 I122 I124 L126 L162 I172 W175	V59-L61 HydrophobicContact CG2-CD2 4.18Å; V59-L61 HydrophobicContact CG2-CG 4.22Å; L61-L63 HydrophobicContact CB-CD1 4.19Å; L61-L63 WeakPolarHBondContact O-CD1 3.37Å; L61-V121 WeakPolarHBondContact O-CA 2.89Å; L61-I122 HydrophobicContact CB-CD1 4.42Å; L61-I122 HydrophobicContact CB-CG1 3.85Å; L61-I122 HydrophobicContact CD1-CD1 4.14Å; L61-I122 HydrophobicContact CD1-CG1 4.44Å; L61-I122 HydrophobicContact CG-CG1 4.47Å; L61-I122 PolarHBondContact N-O 3.06Å; L61-I122 PolarHBondContact O-N 3.01Å; L61-I122 VanDerWaalsContact O-N 3.07Å; L61-I124 HydrophobicContact CD1-CG2 4.13Å; L61-I124 HydrophobicContact CG-CG2 4.44Å; L61-L126 HydrophobicContact CD1-CD1 4.31Å; L61-L126 HydrophobicContact CD2-CD1 4.37Å; L61-L162 HydrophobicContact CD1-CD1 3.97Å; L61-I172 HydrophobicContact CD2-CG2 4.44Å; L61-W175 HydrophobicContact CD2-CB 3.54Å
62	K	98.1	Very high	95.8	Very high	28 Å²	28	32.3 Å²	32.3	12%	0.122	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	126.8	173.2	-174.1	174.5	-66	-167.7	0	110	S119 Q120 I172 L173 G174 W330	K62-S119 VanDerWaalsContact CD-OG 3.31Å; K62-S119 WeakPolarHBondContact CD-OG 3.44Å; K62-S119 WeakPolarHBondContact CE-OG 3.42Å; K62-Q120 CarbonylContact C-O 3.56Å; K62-Q120 WeakPolarHBondContact CA-O 3.35Å; K62-I172 CarbonylContact O-C 3.55Å; K62-I172 WeakPolarHBondContact O-CA 3.37Å; K62-L173 HydrophobicContact CB-CB 4.44Å; K62-L173 HydrophobicContact CD-CB 4.43Å; K62-L173 HydrophobicContact CD-CD1 4.36Å; K62-L173 HydrophobicContact CG-CB 4.23Å; K62-L173 HydrophobicContact CG-CD1 4.31Å; K62-L173 PolarHBondContact O-N 3.05Å; K62-G174 PolarHBondContact N-O 2.83Å; K62-W330 HydrophobicContact CB-CE3 4.06Å; K62-W330 HydrophobicContact CB-CH2 3.86Å; K62-W330 HydrophobicContact CB-CZ3 3.53Å; K62-W330 VanDerWaalsContact CE-CE2 3.47Å; K62-W330 VanDerWaalsContact CE-CZ2 3.5Å
63	L	96.9	Very high	96.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	141.2	-173.7	-55.9	93.5	0	0	0	111.5	L61 L87 F118 Q120 I122 R171 I172	L61-L63 HydrophobicContact CB-CD1 4.19Å; L61-L63 WeakPolarHBondContact O-CD1 3.37Å; L63-L87 HydrophobicContact CD2-CD1 3.93Å; L63-L87 HydrophobicContact CD2-CD2 3.6Å; L63-L87 HydrophobicContact CD2-CG 4.34Å; L63-F118 CarbonylContact O-C 3.59Å; L63-Q120 HydrophobicContact CB-CB 4.34Å; L63-Q120 PolarHBondContact N-O 2.92Å; L63-Q120 PolarHBondContact O-N 3.38Å; L63-I122 HydrophobicContact CD1-CG1 3.95Å; L63-I122 HydrophobicContact CD1-CG2 4.21Å; L63-R171 CarbonylContact C-O 3.59Å; L63-R171 VanDerWaalsContact CA-O 3.31Å; L63-R171 WeakPolarHBondContact CA-O 3.31Å; L63-I172 HydrophobicContact CD2-CD1 3.45Å; L63-I172 VanDerWaalsContact CD2-CD1 3.45Å; L63-I172 HydrophobicContact CG-CD1 3.59Å
64	A	97.7	Very high	96.5	Very high	12 Å²	12	27.2 Å²	27.2	10%	0.099	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	143.4	164.5	0	0	0	0	0	110	A117 F118 R171 L173	A64-A117 CarbonylContact C-O 3.58Å; A64-A117 VanDerWaalsContact CA-O 3.24Å; A64-A117 WeakPolarHBondContact CA-O 3.4Å; A64-F118 HydrophobicContact CB-CD2 4.38Å; A64-F118 WeakPolarHBondContact CB-O 3.33Å; A64-R171 PolarHBondContact N-O 2.69Å; A64-R171 PolarHBondContact O-N 3.03Å; A64-L173 HydrophobicContact CB-CD1 4Å; A64-L173 HydrophobicContact CB-CD2 3.96Å; A64-L173 HydrophobicContact CB-CG 4.02Å
65	Y	97.9	Very high	96.5	Very high	8 Å²	8	28.5 Å²	28.5	3%	0.031	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	149.4	172.9	51.9	-95.8	0	0	0	113.5	F73 V83 T111 S116 A117 Q120 D169	Y65-F73 AromaticContact CE1-CD2 3.76Å; Y65-F73 HydrophobicContact CE1-CD2 3.76Å; Y65-F73 HydrophobicContact CE1-CE2 4.16Å; Y65-F73 AromaticContact CZ-CD2 3.8Å; Y65-F73 WeakPolarHBondContact OH-CD2 3.5Å; Y65-V83 HydrophobicContact CD1-CG1 3.65Å; Y65-V83 HydrophobicContact CD1-CG2 4.3Å; Y65-V83 HydrophobicContact CD2-CG2 3.74Å; Y65-V83 HydrophobicContact CE1-CG1 3.92Å; Y65-V83 HydrophobicContact CE2-CG2 3.98Å; Y65-V83 HydrophobicContact CG-CG1 3.98Å; Y65-V83 HydrophobicContact CG-CG2 3.9Å; Y65-T111 WeakPolarHBondContact OH-CG2 3.38Å; Y65-T111 PolarHBondContact OH-OG1 2.85Å; Y65-S116 WeakPolarHBondContact O-CB 3.18Å; Y65-A117 HydrophobicContact CD1-CB 4.09Å; Y65-A117 HydrophobicContact CD2-CB 4.3Å; Y65-A117 HydrophobicContact CE1-CB 3.52Å; Y65-A117 HydrophobicContact CE2-CB 3.74Å; Y65-A117 HydrophobicContact CG-CB 4.46Å; Y65-A117 PolarHBondContact N-O 3.32Å; Y65-A117 PolarHBondContact O-N 2.84Å; Y65-Q120 HydrophobicContact CE1-CB 3.78Å; Y65-Q120 HydrophobicContact CE1-CG 4.05Å; Y65-D169 CarbonylContact C-O 3.52Å; Y65-D169 WeakPolarHBondContact CA-O 3.07Å; Y65-D169 VanDerWaalsContact CB-O 3.31Å; Y65-D169 WeakPolarHBondContact CB-O 3.29Å
66	L	96.8	Very high	96.2	Very high	43 Å²	43	32.6 Å²	32.6	23%	0.225	16%	0.161	C	C	.	.			trans	-87.9	108.2	168.3	-60.4	178.4	0	0	0	109	W68 Y70 D169	L66-W68 VanDerWaalsContact C-N 3.28Å; L66-W68 PolarHBondContact O-N 2.75Å; L66-Y70 WeakPolarHBondContact O-CD2 3.49Å; L66-Y70 WeakPolarHBondContact O-CE2 3.32Å; L66-D169 HydrophobicContact CB-CB 4.27Å; L66-D169 PolarHBondContact N-O 3.13Å
67	G	96.6	Very high	95.7	Very high	2 Å²	2	37.4 Å²	37.4	2%	0.021	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-75.5	-8.6	-169.6	0	0	0	0	0	115.7	A69 Y70 G114 V115 S116	G67-A69 VanDerWaalsContact C-N 3.28Å; G67-A69 PolarHBondContact O-N 3.49Å; G67-Y70 PolarHBondContact O-N 3.14Å; G67-G114 CarbonylContact C-O 3.48Å; G67-G114 VanDerWaalsContact O-CA 3.29Å; G67-G114 WeakPolarHBondContact O-CA 3.42Å; G67-G114 PolarHBondContact O-N 3.27Å; G67-V115 WeakPolarHBondContact CA-O 3.29Å; G67-S116 PolarHBondContact N-OG 2.96Å
68	W	94.8	Very high	95.3	Very high	149 Å²	149	42.2 Å²	42.2	56%	0.564	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-60.6	-32.6	-166.2	-53.8	-27.3	0	0	0	114.3	L66 Y316	L66-W68 VanDerWaalsContact C-N 3.28Å; L66-W68 PolarHBondContact O-N 2.75Å; W68-Y316 PolarHBondContact NE1-O 3.09Å; W68-Y316 VanDerWaalsContact NE1-O 3.1Å
69	A	95	Very high	94.9	Very high	63 Å²	63	43.2 Å²	43.2	52%	0.521	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-91.6	-3.4	179.7	0	0	0	0	0	113.6	G67 N81	G67-A69 VanDerWaalsContact C-N 3.28Å; G67-A69 PolarHBondContact O-N 3.49Å; A69-N81 PolarHBondContact O-ND2 2.98Å
70	Y	97.1	Very high	94.4	Very high	10 Å²	10	47.9 Å²	47.9	4%	0.039	25%	0.247	C	C	.	.	S	Bend	trans	-111.1	147.8	-170	-62.9	-75.7	0	0	0	112.6	L66 G67 G72 V83 R86 G114 D169 I170	L66-Y70 WeakPolarHBondContact O-CD2 3.49Å; L66-Y70 WeakPolarHBondContact O-CE2 3.32Å; G67-Y70 PolarHBondContact O-N 3.14Å; Y70-G72 PolarHBondContact O-N 3.27Å; Y70-V83 HydrophobicContact CD1-CG2 4.35Å; Y70-V83 HydrophobicContact CD2-CG2 4.03Å; Y70-V83 HydrophobicContact CG-CG2 3.92Å; Y70-R86 HydrophobicContact CE1-CG 4.08Å; Y70-G114 PolarHBondContact O-N 2.84Å; Y70-D169 HydrophobicContact CE2-CB 4.49Å; Y70-D169 WeakPolarHBondContact CE2-OD2 3.27Å; Y70-D169 PolarHBondContact OH-OD1 3.32Å; Y70-D169 PolarHBondContact OH-OD2 2.84Å; Y70-D169 VanDerWaalsContact OH-OD2 3.05Å; Y70-I170 HydrophobicContact CE1-CD1 4.05Å; Y70-I170 HydrophobicContact CE2-CD1 4.26Å; Y70-I170 HydrophobicContact CE2-CG1 4.15Å; Y70-I170 VanDerWaalsContact OH-CD1 3.3Å; Y70-I170 WeakPolarHBondContact OH-CD1 3.33Å
71	Q	96.5	Very high	94.3	Very high	64 Å²	64	50.2 Å²	50.2	30%	0.299	26%	0.259	S	S	.	.	S	Bend	trans	-84	36.8	175.1	-57.5	-162.7	3.9	0	0	112.3	Q76 T79 N81	Q71-Q76 PolarHBondContact O-NE2 3.39Å; Q71-T79 HydrophobicContact CB-CG2 3.92Å; Q71-T79 HydrophobicContact CG-CG2 4.32Å; Q71-T79 PolarHBondContact OE1-OG1 3.41Å; Q71-N81 PolarHBondContact N-O 3.37Å
72	G	96.3	Very high	94.3	Very high	5 Å²	5	50.2 Å²	50.2	5%	0.052	26%	0.259	C	S	.	.			trans	96.7	-178.2	180	0	0	0	0	0	113	Y70 T82 V83 T111 D112	Y70-G72 PolarHBondContact O-N 3.27Å; G72-T82 WeakPolarHBondContact O-CA 3.3Å; G72-T82 WeakPolarHBondContact O-CB 3.37Å; G72-V83 PolarHBondContact O-N 3.25Å; G72-T111 VanDerWaalsContact CA-O 3.32Å; G72-T111 WeakPolarHBondContact CA-O 3.18Å; G72-D112 WeakPolarHBondContact CA-O 3.44Å
73	F	97.2	Very high	94.3	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.254	C	S	.	.	S	Bend	trans	-74.1	-56.8	-178.8	-179.1	-99.1	0	0	0	111.9	Y65 V83 E84 Y105 R107 T111 Q120 I122	Y65-F73 AromaticContact CE1-CD2 3.76Å; Y65-F73 HydrophobicContact CE1-CD2 3.76Å; Y65-F73 HydrophobicContact CE1-CE2 4.16Å; Y65-F73 AromaticContact CZ-CD2 3.8Å; Y65-F73 WeakPolarHBondContact OH-CD2 3.5Å; F73-V83 HydrophobicContact CD2-CB 3.86Å; F73-V83 HydrophobicContact CD2-CG1 3.85Å; F73-V83 HydrophobicContact CE2-CB 4.38Å; F73-V83 HydrophobicContact CE2-CG1 3.96Å; F73-E84 HydrophobicContact CE1-CB 4.4Å; F73-E84 WeakPolarHBondContact O-CB 3.47Å; F73-E84 PolarHBondContact O-N 2.97Å; F73-Y105 VanDerWaalsContact CE1-OH 3.28Å; F73-Y105 WeakPolarHBondContact CE1-OH 3.39Å; F73-R107 HydrophobicContact CE1-CB 3.77Å; F73-R107 HydrophobicContact CE1-CG 4.35Å; F73-T111 WeakPolarHBondContact CB-OG1 3.43Å; F73-T111 PolarHBondContact N-O 3.5Å; F73-Q120 HydrophobicContact CD2-CG 4.2Å; F73-Q120 HydrophobicContact CE2-CG 3.78Å; F73-Q120 HydrophobicContact CZ-CG 4.17Å; F73-I122 HydrophobicContact CE1-CG2 4.41Å; F73-I122 HydrophobicContact CZ-CG2 3.75Å
74	A	94.6	Very high	94.3	Very high	7 Å²	7	49 Å²	49	6%	0.058	25%	0.254	C	S	.	.	S	Bend	trans	-77.8	141.3	-171.6	0	0	0	0	0	112.4	T82 E84 R110	A74-T82 WeakPolarHBondContact O-CG2 3.33Å; A74-E84 WeakPolarHBondContact CA-OE2 3.31Å; A74-R110 HydrophobicContact CB-CG 4.5Å
75	V	92.7	Very high	94.3	Very high	71 Å²	71	49.1 Å²	49.1	43%	0.43	26%	0.255	S	S	.	.			trans	-57.1	142.1	172.9	179.2	0	0	0	0	110.5	E84 A85	V75-E84 HydrophobicContact CG2-CB 4.04Å; V75-E84 HydrophobicContact CG2-CG 3.93Å; V75-E84 WeakPolarHBondContact CG2-OE2 3.39Å; V75-E84 PolarHBondContact N-OE2 3.02Å; V75-A85 HydrophobicContact CG2-CB 4.02Å
76	Q	87.4	Confident	94.3	Very high	86 Å²	86	51.8 Å²	51.8	40%	0.402	27%	0.265	S	S	.	.	B	Isolated β-bridge	trans	-125	153.9	177.6	-53.9	-179.3	17.4	0	0	109.3	Q71 N78 T79	Q71-Q76 PolarHBondContact O-NE2 3.39Å; Q76-N78 VanDerWaalsContact CB-OD1 3.3Å; Q76-N78 WeakPolarHBondContact CB-OD1 3.39Å; Q76-N78 PolarHBondContact O-N 2.81Å; Q76-T79 HydrophobicContact CB-CG2 3.99Å; Q76-T79 HydrophobicContact CG-CG2 4.47Å; Q76-T79 PolarHBondContact O-N 2.77Å
77	E	85.3	Confident	94.4	Very high	214 Å²	214	49.8 Å²	49.8	100%	1	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-27	-176.1	-66.1	178.6	176.2	0	0	113.4
78	N	87.1	Confident	94.5	Very high	124 Å²	124	50.4 Å²	50.4	66%	0.663	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-2.2	-174.7	64.6	-27	0	0	0	114	Q76	Q76-N78 VanDerWaalsContact CB-OD1 3.3Å; Q76-N78 WeakPolarHBondContact CB-OD1 3.39Å; Q76-N78 PolarHBondContact O-N 2.81Å
79	T	89	Confident	94.7	Very high	21 Å²	21	47.6 Å²	47.6	13%	0.129	25%	0.25	C	C	.	.	B	Isolated β-bridge	trans	-156.1	139.2	-179.2	-171.9	0	0	0	0	113.3	Q71 Q76 N81 T82	Q71-T79 HydrophobicContact CB-CG2 3.92Å; Q71-T79 HydrophobicContact CG-CG2 4.32Å; Q71-T79 PolarHBondContact OE1-OG1 3.41Å; Q76-T79 HydrophobicContact CB-CG2 3.99Å; Q76-T79 HydrophobicContact CG-CG2 4.47Å; Q76-T79 PolarHBondContact O-N 2.77Å; T79-N81 PolarHBondContact OG1-N 2.99Å; T79-T82 HydrophobicContact CG2-CG2 4.2Å
80	D	89.5	Confident	94.8	Very high	99 Å²	99	44.7 Å²	44.7	53%	0.529	23%	0.226	S	C	.	.			trans	-94.5	-3.4	167.1	64.2	-14	0	0	0	112.3	T82 A85	D80-T82 PolarHBondContact O-N 2.79Å; D80-A85 WeakPolarHBondContact O-CB 3.43Å
81	N	95.8	Very high	94.9	Very high	49 Å²	49	44.2 Å²	44.2	26%	0.262	22%	0.224	S	C	.	.			trans	-81.8	63.1	-178.9	-171.3	34.8	0	0	0	111.9	A69 Q71 T79	A69-N81 PolarHBondContact O-ND2 2.98Å; Q71-N81 PolarHBondContact N-O 3.37Å; T79-N81 PolarHBondContact OG1-N 2.99Å
82	T	97.6	Very high	95	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.231	C	C	.	.	S	Bend	trans	-130	155.7	-179.1	65.1	0	0	0	0	110.2	G72 A74 T79 D80 E84 A85 R86	G72-T82 WeakPolarHBondContact O-CA 3.3Å; G72-T82 WeakPolarHBondContact O-CB 3.37Å; A74-T82 WeakPolarHBondContact O-CG2 3.33Å; T79-T82 HydrophobicContact CG2-CG2 4.2Å; D80-T82 PolarHBondContact O-N 2.79Å; T82-E84 VanDerWaalsContact C-N 3.28Å; T82-E84 PolarHBondContact O-N 3.26Å; T82-A85 PolarHBondContact O-N 3.24Å; T82-A85 WeakPolarHBondContact OG1-CB 3.46Å; T82-A85 PolarHBondContact OG1-N 3.42Å; T82-R86 PolarHBondContact O-N 3.1Å
83	V	98.2	Very high	95.1	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-62.3	-40.1	179.1	178	0	0	0	0	110.8	Y65 Y70 G72 F73 R86 L87 I170	Y65-V83 HydrophobicContact CD1-CG1 3.65Å; Y65-V83 HydrophobicContact CD1-CG2 4.3Å; Y65-V83 HydrophobicContact CD2-CG2 3.74Å; Y65-V83 HydrophobicContact CE1-CG1 3.92Å; Y65-V83 HydrophobicContact CE2-CG2 3.98Å; Y65-V83 HydrophobicContact CG-CG1 3.98Å; Y65-V83 HydrophobicContact CG-CG2 3.9Å; Y70-V83 HydrophobicContact CD1-CG2 4.35Å; Y70-V83 HydrophobicContact CD2-CG2 4.03Å; Y70-V83 HydrophobicContact CG-CG2 3.92Å; G72-V83 PolarHBondContact O-N 3.25Å; F73-V83 HydrophobicContact CD2-CB 3.86Å; F73-V83 HydrophobicContact CD2-CG1 3.85Å; F73-V83 HydrophobicContact CE2-CB 4.38Å; F73-V83 HydrophobicContact CE2-CG1 3.96Å; V83-R86 PolarHBondContact O-N 2.8Å; V83-L87 WeakPolarHBondContact O-CB 3.34Å; V83-L87 PolarHBondContact O-N 3.3Å; V83-I170 HydrophobicContact CB-CD1 4.35Å; V83-I170 HydrophobicContact CG1-CD1 3.95Å; V83-I170 HydrophobicContact CG1-CG1 4.24Å; V83-I170 HydrophobicContact CG1-CG2 4.17Å; V83-I170 HydrophobicContact CG2-CD1 4.44Å
84	E	97.8	Very high	95.1	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.009	27%	0.266	C	S	.	.	H	α-helix	trans	-63.4	-42.6	178.2	-179.7	176.2	-119.1	0	0	111.8	F73 A74 V75 T82 R86 L87 F88 R100 Y105 R107	F73-E84 HydrophobicContact CE1-CB 4.4Å; F73-E84 WeakPolarHBondContact O-CB 3.47Å; F73-E84 PolarHBondContact O-N 2.97Å; A74-E84 WeakPolarHBondContact CA-OE2 3.31Å; V75-E84 HydrophobicContact CG2-CB 4.04Å; V75-E84 HydrophobicContact CG2-CG 3.93Å; V75-E84 WeakPolarHBondContact CG2-OE2 3.39Å; V75-E84 PolarHBondContact N-OE2 3.02Å; T82-E84 VanDerWaalsContact C-N 3.28Å; T82-E84 PolarHBondContact O-N 3.26Å; E84-R86 PolarHBondContact O-N 2.93Å; E84-L87 WeakPolarHBondContact O-CB 3.17Å; E84-L87 PolarHBondContact O-N 2.96Å; E84-F88 HydrophobicContact CG-CD2 3.87Å; E84-F88 HydrophobicContact CG-CE2 4.01Å; E84-F88 WeakPolarHBondContact O-CD2 3.26Å; E84-F88 PolarHBondContact O-N 2.96Å; E84-R100 VanDerWaalsContact CD-NH1 3.27Å; E84-R100 IonicContact OE1-CZ 3.54Å; E84-R100 IonicContact OE1-NH1 2.71Å; E84-R100 PolarHBondContact OE1-NH1 3.31Å; E84-R100 VanDerWaalsContact OE1-NH1 3.13Å; E84-R100 IonicContact OE1-NH2 3.51Å; E84-R100 PolarHBondContact OE1-NH2 2.88Å; E84-R100 IonicContact OE2-NH1 3.51Å; E84-R100 IonicContact OE2-NH2 3.13Å; E84-Y105 WeakPolarHBondContact OE1-CE1 3.43Å; E84-Y105 PolarHBondContact OE1-OH 2.72Å; E84-R107 IonicContact OE1-CZ 2.87Å; E84-R107 IonicContact OE1-NH1 3.44Å; E84-R107 PolarHBondContact OE1-NH1 2.86Å; E84-R107 IonicContact OE2-NH1 3.75Å; E84-R107 PolarHBondContact OE2-NH1 3.4Å
85	A	97.6	Very high	95.2	Very high	14 Å²	14	58 Å²	58	12%	0.116	28%	0.282	C	S	.	.	H	α-helix	trans	-58.5	-48.5	175.6	0	0	0	0	0	111.7	V75 D80 T82 L87 F88 E89	V75-A85 HydrophobicContact CG2-CB 4.02Å; D80-A85 WeakPolarHBondContact O-CB 3.43Å; T82-A85 PolarHBondContact O-N 3.24Å; T82-A85 WeakPolarHBondContact OG1-CB 3.46Å; T82-A85 PolarHBondContact OG1-N 3.42Å; A85-L87 VanDerWaalsContact C-N 3.28Å; A85-L87 PolarHBondContact O-N 3.41Å; A85-F88 PolarHBondContact O-N 2.81Å; A85-E89 WeakPolarHBondContact O-CG 3.27Å; A85-E89 PolarHBondContact O-N 2.81Å
86	R	98.3	Very high	95.5	Very high	65 Å²	65	54.7 Å²	54.7	25%	0.245	26%	0.262	C	S	.	.	H	α-helix	trans	-62.4	-35.2	177.6	-60.9	-55.6	177.1	-157.4	-8.1	112.8	Y70 T82 V83 E84 E89 A90 P167 I170	Y70-R86 HydrophobicContact CE1-CG 4.08Å; T82-R86 PolarHBondContact O-N 3.1Å; V83-R86 PolarHBondContact O-N 2.8Å; E84-R86 PolarHBondContact O-N 2.93Å; R86-E89 VanDerWaalsContact CD-OE2 3.31Å; R86-E89 WeakPolarHBondContact CD-OE2 3.04Å; R86-E89 IonicContact CZ-OE1 3.63Å; R86-E89 IonicContact CZ-OE2 3.99Å; R86-E89 VanDerWaalsContact NH1-CD 3.33Å; R86-E89 IonicContact NH1-OE1 3.8Å; R86-E89 PolarHBondContact NH1-OE1 3.09Å; R86-E89 IonicContact NH1-OE2 2.89Å; R86-E89 PolarHBondContact NH1-OE2 3.41Å; R86-A90 PolarHBondContact O-N 2.94Å; R86-A90 VanDerWaalsContact O-N 3.11Å; R86-P167 HydrophobicContact CB-CG 4.16Å; R86-P167 HydrophobicContact CG-CG 4.11Å; R86-I170 HydrophobicContact CB-CD1 3.63Å; R86-I170 HydrophobicContact CG-CD1 4.08Å
87	L	98.4	Very high	96	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-66.1	-44.5	174.5	-179.4	60.2	0	0	0	111.9	L63 V83 E84 A85 A90 L91 I122 L166 I172	L63-L87 HydrophobicContact CD2-CD1 3.93Å; L63-L87 HydrophobicContact CD2-CD2 3.6Å; L63-L87 HydrophobicContact CD2-CG 4.34Å; V83-L87 WeakPolarHBondContact O-CB 3.34Å; V83-L87 PolarHBondContact O-N 3.3Å; E84-L87 WeakPolarHBondContact O-CB 3.17Å; E84-L87 PolarHBondContact O-N 2.96Å; A85-L87 VanDerWaalsContact C-N 3.28Å; A85-L87 PolarHBondContact O-N 3.41Å; L87-A90 WeakPolarHBondContact O-CB 3.42Å; L87-A90 PolarHBondContact O-N 3.5Å; L87-L91 HydrophobicContact CD1-CD1 4.28Å; L87-L91 HydrophobicContact CD1-CG 4.41Å; L87-L91 HydrophobicContact CG-CD1 3.91Å; L87-L91 VanDerWaalsContact O-CG 3.29Å; L87-L91 WeakPolarHBondContact O-CG 3.35Å; L87-L91 PolarHBondContact O-N 3.22Å; L87-I122 HydrophobicContact CD2-CD1 3.53Å; L87-L166 HydrophobicContact CD1-CD2 4.47Å; L87-I172 HydrophobicContact CD1-CD1 4.08Å
88	F	98.3	Very high	96.5	Very high	16 Å²	16	46.6 Å²	46.6	7%	0.07	23%	0.225	C	C	.	.	H	α-helix	trans	-68.2	-37.4	177.9	-88.8	-92.6	0	0	0	112.4	E84 A85 A90 L91 L92 I97 R100 Y105 I124	E84-F88 HydrophobicContact CG-CD2 3.87Å; E84-F88 HydrophobicContact CG-CE2 4.01Å; E84-F88 WeakPolarHBondContact O-CD2 3.26Å; E84-F88 PolarHBondContact O-N 2.96Å; A85-F88 PolarHBondContact O-N 2.81Å; F88-A90 VanDerWaalsContact C-N 3.3Å; F88-A90 PolarHBondContact O-N 2.83Å; F88-L91 PolarHBondContact O-N 2.94Å; F88-L92 WeakPolarHBondContact O-CB 3.39Å; F88-L92 VanDerWaalsContact O-CG 3.27Å; F88-L92 WeakPolarHBondContact O-CG 3.38Å; F88-L92 PolarHBondContact O-N 2.86Å; F88-I97 HydrophobicContact CD1-CD1 3.54Å; F88-I97 HydrophobicContact CE1-CD1 3.56Å; F88-R100 HydrophobicContact CD1-CB 3.89Å; F88-R100 HydrophobicContact CD1-CG 4.17Å; F88-R100 HydrophobicContact CE1-CB 3.56Å; F88-R100 HydrophobicContact CE1-CG 3.53Å; F88-R100 HydrophobicContact CZ-CB 4.37Å; F88-R100 HydrophobicContact CZ-CG 3.84Å; F88-Y105 HydrophobicContact CE2-CD1 4.36Å; F88-Y105 AromaticContact CE2-CD2 3.86Å; F88-Y105 HydrophobicContact CE2-CD2 3.86Å; F88-Y105 HydrophobicContact CE2-CE1 4.3Å; F88-Y105 AromaticContact CE2-CE2 3.76Å; F88-Y105 HydrophobicContact CE2-CE2 3.76Å; F88-Y105 HydrophobicContact CE2-CG 4.13Å; F88-Y105 AromaticContact CE2-CZ 3.97Å; F88-Y105 HydrophobicContact CZ-CD1 4.16Å; F88-Y105 AromaticContact CZ-CD2 3.68Å; F88-Y105 HydrophobicContact CZ-CD2 3.68Å; F88-Y105 HydrophobicContact CZ-CE2 4.09Å; F88-Y105 AromaticContact CZ-CG 3.68Å; F88-Y105 HydrophobicContact CZ-CG 3.68Å; F88-I124 HydrophobicContact CZ-CD1 4.29Å
89	E	98.1	Very high	96.8	Very high	90 Å²	90	42.8 Å²	42.8	42%	0.421	20%	0.204	S	C	.	.	H	α-helix	trans	-55.3	-46	169.4	-73.6	172.5	-177.5	0	0	111.2	A85 R86 K93	A85-E89 WeakPolarHBondContact O-CG 3.27Å; A85-E89 PolarHBondContact O-N 2.81Å; R86-E89 VanDerWaalsContact CD-OE2 3.31Å; R86-E89 WeakPolarHBondContact CD-OE2 3.04Å; R86-E89 IonicContact CZ-OE1 3.63Å; R86-E89 IonicContact CZ-OE2 3.99Å; R86-E89 VanDerWaalsContact NH1-CD 3.33Å; R86-E89 IonicContact NH1-OE1 3.8Å; R86-E89 PolarHBondContact NH1-OE1 3.09Å; R86-E89 IonicContact NH1-OE2 2.89Å; R86-E89 PolarHBondContact NH1-OE2 3.41Å; E89-K93 WeakPolarHBondContact O-CB 3.43Å; E89-K93 PolarHBondContact O-N 3.02Å
90	A	98.6	Very high	97.1	Very high	2 Å²	2	45.6 Å²	45.6	2%	0.017	21%	0.212	C	C	.	.	H	α-helix	trans	-65.4	-44	177.5	0	0	0	0	0	113	R86 L87 F88 K93 T94 L162 V165 L166	R86-A90 PolarHBondContact O-N 2.94Å; R86-A90 VanDerWaalsContact O-N 3.11Å; L87-A90 WeakPolarHBondContact O-CB 3.42Å; L87-A90 PolarHBondContact O-N 3.5Å; F88-A90 VanDerWaalsContact C-N 3.3Å; F88-A90 PolarHBondContact O-N 2.83Å; A90-K93 PolarHBondContact O-N 3.43Å; A90-T94 WeakPolarHBondContact O-CB 3.43Å; A90-T94 VanDerWaalsContact O-CG2 3.31Å; A90-T94 WeakPolarHBondContact O-CG2 3.19Å; A90-T94 PolarHBondContact O-N 3.42Å; A90-T94 PolarHBondContact O-OG1 2.86Å; A90-L162 HydrophobicContact CB-CD2 3.96Å; A90-V165 HydrophobicContact CB-CG2 3.6Å; A90-L166 HydrophobicContact CB-CD2 3.61Å; A90-L166 HydrophobicContact CB-CG 3.83Å
91	L	98.6	Very high	97.3	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-62.4	-42.3	178.7	-73.1	161.9	0	0	0	112	L87 F88 T94 R95 L96 I97 I124 L126 L162	L87-L91 HydrophobicContact CD1-CD1 4.28Å; L87-L91 HydrophobicContact CD1-CG 4.41Å; L87-L91 HydrophobicContact CG-CD1 3.91Å; L87-L91 VanDerWaalsContact O-CG 3.29Å; L87-L91 WeakPolarHBondContact O-CG 3.35Å; L87-L91 PolarHBondContact O-N 3.22Å; F88-L91 PolarHBondContact O-N 2.94Å; L91-T94 PolarHBondContact O-OG1 2.9Å; L91-R95 PolarHBondContact O-N 3.07Å; L91-L96 HydrophobicContact CD2-CB 4.2Å; L91-L96 HydrophobicContact CD2-CD1 4.36Å; L91-L96 PolarHBondContact O-N 3.4Å; L91-I97 HydrophobicContact CB-CD1 3.65Å; L91-I97 HydrophobicContact CB-CG1 3.82Å; L91-I97 HydrophobicContact CB-CG2 4.43Å; L91-I97 HydrophobicContact CD1-CD1 4.17Å; L91-I97 HydrophobicContact CD2-CG2 4.38Å; L91-I97 HydrophobicContact CG-CD1 4.49Å; L91-I124 HydrophobicContact CD1-CD1 3.7Å; L91-I124 HydrophobicContact CD2-CD1 4.47Å; L91-L126 HydrophobicContact CD2-CD2 3.59Å; L91-L162 HydrophobicContact CD2-CD1 4.27Å; L91-L162 HydrophobicContact CD2-CD2 3.89Å; L91-L162 HydrophobicContact CG-CD2 4.07Å
92	L	98.1	Very high	97.3	Very high	84 Å²	84	48.7 Å²	48.7	44%	0.44	23%	0.227	S	C	.	.	H	α-helix	trans	-68.7	-46.8	176.1	-69.6	168.2	0	0	0	111.3	F88 T94 R95 I97 Q98	F88-L92 WeakPolarHBondContact O-CB 3.39Å; F88-L92 VanDerWaalsContact O-CG 3.27Å; F88-L92 WeakPolarHBondContact O-CG 3.38Å; F88-L92 PolarHBondContact O-N 2.86Å; L92-T94 VanDerWaalsContact C-N 3.26Å; L92-T94 PolarHBondContact O-N 3.37Å; L92-R95 WeakPolarHBondContact O-CA 3.47Å; L92-R95 PolarHBondContact O-N 3.17Å; L92-I97 HydrophobicContact CD2-CD1 4.34Å; L92-I97 HydrophobicContact CD2-CG1 3.9Å; L92-I97 HydrophobicContact CG-CD1 4.4Å; L92-I97 HydrophobicContact CG-CG1 4.26Å; L92-Q98 VanDerWaalsContact CD2-O 3.29Å; L92-Q98 WeakPolarHBondContact CD2-O 3.3Å
93	K	98	Very high	97.2	Very high	154 Å²	154	48.8 Å²	48.8	67%	0.67	23%	0.228	S	C	*	.	H	α-helix	trans	-60.8	-34.7	179.9	-176.1	171.8	178.4	178.7	0	112.8	E89 A90 R95 V165	E89-K93 WeakPolarHBondContact O-CB 3.43Å; E89-K93 PolarHBondContact O-N 3.02Å; A90-K93 PolarHBondContact O-N 3.43Å; K93-R95 VanDerWaalsContact C-N 3.29Å; K93-V165 HydrophobicContact CD-CB 4.11Å; K93-V165 HydrophobicContact CD-CG1 4.02Å; K93-V165 HydrophobicContact CG-CG1 4.43Å
94	T	97.9	Very high	97.1	Very high	19 Å²	19	51.1 Å²	51.1	12%	0.117	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-1.7	176.5	55	0	0	0	0	113.6	A90 L91 L92 L96 R127 M161 V165	A90-T94 WeakPolarHBondContact O-CB 3.43Å; A90-T94 VanDerWaalsContact O-CG2 3.31Å; A90-T94 WeakPolarHBondContact O-CG2 3.19Å; A90-T94 PolarHBondContact O-N 3.42Å; A90-T94 PolarHBondContact O-OG1 2.86Å; L91-T94 PolarHBondContact O-OG1 2.9Å; L92-T94 VanDerWaalsContact C-N 3.26Å; L92-T94 PolarHBondContact O-N 3.37Å; T94-L96 PolarHBondContact O-N 2.79Å; T94-L96 WeakPolarHBondContact OG1-CD1 3.09Å; T94-L96 WeakPolarHBondContact OG1-CG 3.38Å; T94-R127 PolarHBondContact O-NH2 3.32Å; T94-M161 HydrophobicContact CG2-CB 4.28Å; T94-M161 WeakPolarHBondContact CG2-O 3.49Å; T94-V165 HydrophobicContact CG2-CG1 4.45Å; T94-V165 HydrophobicContact CG2-CG2 3.72Å
95	R	97.6	Very high	97.1	Very high	108 Å²	108	51.8 Å²	51.8	41%	0.408	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	36.5	-176.4	-55	171.4	176	-175.6	-0.6	111.5	F49 F51 L91 L92 K93 R127	F49-R95 HydrophobicContact CB-CG 4.42Å; F49-R95 HydrophobicContact CD1-CB 4.29Å; F49-R95 HydrophobicContact CG-CB 4.31Å; F49-R95 HydrophobicContact CG-CG 4.41Å; F51-R95 HydrophobicContact CZ-CB 4.25Å; L91-R95 PolarHBondContact O-N 3.07Å; L92-R95 WeakPolarHBondContact O-CA 3.47Å; L92-R95 PolarHBondContact O-N 3.17Å; K93-R95 VanDerWaalsContact C-N 3.29Å; R95-R127 PolarHBondContact O-NE 2.91Å; R95-R127 PolarHBondContact O-NH2 3.21Å
96	L	98.1	Very high	97	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.005	25%	0.248	C	C	.	.	S	Bend	trans	-83.7	-26.2	174.2	-72.7	176.1	0	0	0	111.2	L91 T94 L126 R127 L156 Y158 M161 L162	L91-L96 HydrophobicContact CD2-CB 4.2Å; L91-L96 HydrophobicContact CD2-CD1 4.36Å; L91-L96 PolarHBondContact O-N 3.4Å; T94-L96 PolarHBondContact O-N 2.79Å; T94-L96 WeakPolarHBondContact OG1-CD1 3.09Å; T94-L96 WeakPolarHBondContact OG1-CG 3.38Å; L96-L126 HydrophobicContact CB-CD2 4.18Å; L96-L126 CarbonylContact O-C 3.58Å; L96-R127 PolarHBondContact O-N 2.99Å; L96-L156 HydrophobicContact CD2-CD1 4.16Å; L96-Y158 HydrophobicContact CD1-CD1 4.14Å; L96-Y158 HydrophobicContact CD2-CD1 3.69Å; L96-Y158 HydrophobicContact CD2-CE1 3.78Å; L96-M161 HydrophobicContact CD1-CE 4.42Å; L96-M161 HydrophobicContact CD2-CE 3.8Å; L96-M161 HydrophobicContact CD2-SD 4.37Å; L96-M161 HydrophobicContact CG-CE 4.03Å; L96-L162 HydrophobicContact CD1-CD1 4.28Å; L96-L162 HydrophobicContact CD1-CD2 3.95Å; L96-L162 HydrophobicContact CD1-CG 3.92Å
97	I	97.8	Very high	97	Very high	7 Å²	7	53 Å²	53	4%	0.036	25%	0.246	C	C	.	.			trans	-130.5	154.4	172.1	70.8	-179.4	0	0	0	110.1	F51 F88 L91 L92 I124 L126	F51-I97 VanDerWaalsContact CE1-C 3.43Å; F51-I97 VanDerWaalsContact CZ-C 3.43Å; F51-I97 WeakPolarHBondContact CZ-O 3.35Å; F88-I97 HydrophobicContact CD1-CD1 3.54Å; F88-I97 HydrophobicContact CE1-CD1 3.56Å; L91-I97 HydrophobicContact CB-CD1 3.65Å; L91-I97 HydrophobicContact CB-CG1 3.82Å; L91-I97 HydrophobicContact CB-CG2 4.43Å; L91-I97 HydrophobicContact CD1-CD1 4.17Å; L91-I97 HydrophobicContact CD2-CG2 4.38Å; L91-I97 HydrophobicContact CG-CD1 4.49Å; L92-I97 HydrophobicContact CD2-CD1 4.34Å; L92-I97 HydrophobicContact CD2-CG1 3.9Å; L92-I97 HydrophobicContact CG-CD1 4.4Å; L92-I97 HydrophobicContact CG-CG1 4.26Å; I97-I124 HydrophobicContact CG2-CD1 3.91Å; I97-I124 HydrophobicContact CG2-CG1 4.43Å; I97-L126 HydrophobicContact CG2-CD2 3.84Å
98	Q	95.3	Very high	96.9	Very high	124 Å²	124	53.5 Å²	53.5	58%	0.579	25%	0.25	S	S	*	.	S	Bend	trans	-79.3	-48.7	172	179	174	-13	0	0	111	F51 L92	F51-Q98 HydrophobicContact CD1-CB 4.27Å; F51-Q98 HydrophobicContact CD2-CB 3.81Å; F51-Q98 HydrophobicContact CD2-CG 4.06Å; F51-Q98 HydrophobicContact CE1-CB 4.33Å; F51-Q98 HydrophobicContact CE2-CB 3.87Å; F51-Q98 HydrophobicContact CE2-CG 4.22Å; F51-Q98 HydrophobicContact CG-CB 4.02Å; F51-Q98 HydrophobicContact CZ-CB 4.15Å; L92-Q98 VanDerWaalsContact CD2-O 3.29Å; L92-Q98 WeakPolarHBondContact CD2-O 3.3Å
99	D	95.2	Very high	96.6	Very high	44 Å²	44	53.1 Å²	53.1	24%	0.235	25%	0.25	C	S	.	.			trans	-157.5	174.6	-179.2	64.8	85.4	0	0	0	109.5	Q101 S102 S103	D99-Q101 WeakPolarHBondContact OD1-CA 3.32Å; D99-Q101 WeakPolarHBondContact OD1-CB 3.38Å; D99-Q101 PolarHBondContact OD1-N 2.86Å; D99-Q101 PolarHBondContact OD1-OE1 3.36Å; D99-S102 PolarHBondContact OD1-N 3.11Å; D99-S102 PolarHBondContact OD1-OG 3.14Å; D99-S102 WeakPolarHBondContact OD2-CB 3.27Å; D99-S102 PolarHBondContact OD2-OG 3.44Å; D99-S103 WeakPolarHBondContact O-CB 3.46Å
100	R	94.1	Very high	96.4	Very high	79 Å²	79	56.5 Å²	56.5	30%	0.298	26%	0.259	S	S	.	.	S	Bend	trans	-72.9	-42.7	-178.8	176.7	176.2	177.5	94.3	-2.6	112.2	E84 F88 S102 S103 Y105	E84-R100 VanDerWaalsContact CD-NH1 3.27Å; E84-R100 IonicContact OE1-CZ 3.54Å; E84-R100 IonicContact OE1-NH1 2.71Å; E84-R100 PolarHBondContact OE1-NH1 3.31Å; E84-R100 VanDerWaalsContact OE1-NH1 3.13Å; E84-R100 IonicContact OE1-NH2 3.51Å; E84-R100 PolarHBondContact OE1-NH2 2.88Å; E84-R100 IonicContact OE2-NH1 3.51Å; E84-R100 IonicContact OE2-NH2 3.13Å; F88-R100 HydrophobicContact CD1-CB 3.89Å; F88-R100 HydrophobicContact CD1-CG 4.17Å; F88-R100 HydrophobicContact CE1-CB 3.56Å; F88-R100 HydrophobicContact CE1-CG 3.53Å; F88-R100 HydrophobicContact CZ-CB 4.37Å; F88-R100 HydrophobicContact CZ-CG 3.84Å; R100-S102 VanDerWaalsContact C-N 3.32Å; R100-S102 PolarHBondContact O-N 2.89Å; R100-S103 PolarHBondContact O-N 3.26Å; R100-S103 PolarHBondContact O-OG 2.51Å; R100-Y105 VanDerWaalsContact NH2-CE1 3.3Å
101	Q	94.6	Very high	96.3	Very high	165 Å²	165	56.8 Å²	56.8	77%	0.771	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-36.2	-171.4	-64	83.6	-19.1	0	0	111.9	D99	D99-Q101 WeakPolarHBondContact OD1-CA 3.32Å; D99-Q101 WeakPolarHBondContact OD1-CB 3.38Å; D99-Q101 PolarHBondContact OD1-N 2.86Å; D99-Q101 PolarHBondContact OD1-OE1 3.36Å
102	S	94.1	Very high	96.1	Very high	48 Å²	48	58.4 Å²	58.4	34%	0.336	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-1.6	180	66.3	0	0	0	0	114.5	D99 R100	D99-S102 PolarHBondContact OD1-N 3.11Å; D99-S102 PolarHBondContact OD1-OG 3.14Å; D99-S102 WeakPolarHBondContact OD2-CB 3.27Å; D99-S102 PolarHBondContact OD2-OG 3.44Å; R100-S102 VanDerWaalsContact C-N 3.32Å; R100-S102 PolarHBondContact O-N 2.89Å
103	S	95.6	Very high	96	Very high	3 Å²	3	60.5 Å²	60.5	2%	0.021	28%	0.275	C	S	.	.	S	Bend	trans	-91.6	2.7	-171	70.2	0	0	0	0	115.6	D99 R100 Y105 I124 D125	D99-S103 WeakPolarHBondContact O-CB 3.46Å; R100-S103 PolarHBondContact O-N 3.26Å; R100-S103 PolarHBondContact O-OG 2.51Å; S103-Y105 VanDerWaalsContact C-N 3.29Å; S103-Y105 PolarHBondContact O-N 3.09Å; S103-I124 VanDerWaalsContact O-CG1 3.24Å; S103-I124 WeakPolarHBondContact O-CG1 3.44Å; S103-D125 PolarHBondContact O-N 3.43Å
104	N	96.3	Very high	95.9	Very high	48 Å²	48	53.4 Å²	53.4	26%	0.257	25%	0.245	S	C	.	.			trans	50	48.9	179.9	-171.6	23	0	0	0	112.9	H58 D125	H58-N104 PolarHBondContact CE1-ND2 3.03Å; H58-N104 PolarHBondContact ND1-ND2 2.74Å; N104-D125 HydrophobicContact CB-CB 4.44Å; N104-D125 WeakPolarHBondContact CB-OD2 3.5Å; N104-D125 PolarHBondContact ND2-OD1 3.28Å
105	Y	97.6	Very high	95.9	Very high	16 Å²	16	52.6 Å²	52.6	6%	0.063	24%	0.241	C	C	.	.			trans	-86.3	123.6	-169.4	169.4	-97	0	0	0	112.9	F73 E84 F88 R100 S103 R107 I122 T123 I124	F73-Y105 VanDerWaalsContact CE1-OH 3.28Å; F73-Y105 WeakPolarHBondContact CE1-OH 3.39Å; E84-Y105 WeakPolarHBondContact OE1-CE1 3.43Å; E84-Y105 PolarHBondContact OE1-OH 2.72Å; F88-Y105 HydrophobicContact CE2-CD1 4.36Å; F88-Y105 AromaticContact CE2-CD2 3.86Å; F88-Y105 HydrophobicContact CE2-CD2 3.86Å; F88-Y105 HydrophobicContact CE2-CE1 4.3Å; F88-Y105 AromaticContact CE2-CE2 3.76Å; F88-Y105 HydrophobicContact CE2-CE2 3.76Å; F88-Y105 HydrophobicContact CE2-CG 4.13Å; F88-Y105 AromaticContact CE2-CZ 3.97Å; F88-Y105 HydrophobicContact CZ-CD1 4.16Å; F88-Y105 AromaticContact CZ-CD2 3.68Å; F88-Y105 HydrophobicContact CZ-CD2 3.68Å; F88-Y105 HydrophobicContact CZ-CE2 4.09Å; F88-Y105 AromaticContact CZ-CG 3.68Å; F88-Y105 HydrophobicContact CZ-CG 3.68Å; R100-Y105 VanDerWaalsContact NH2-CE1 3.3Å; S103-Y105 VanDerWaalsContact C-N 3.29Å; S103-Y105 PolarHBondContact O-N 3.09Å; Y105-R107 HydrophobicContact CE1-CB 4.41Å; Y105-I122 HydrophobicContact CD2-CB 4.47Å; Y105-I122 HydrophobicContact CD2-CD1 4.12Å; Y105-I122 HydrophobicContact CE2-CB 3.83Å; Y105-I122 HydrophobicContact CE2-CD1 3.67Å; Y105-I122 HydrophobicContact CE2-CG1 4.36Å; Y105-I122 HydrophobicContact CE2-CG2 3.81Å; Y105-T123 CarbonylContact C-O 3.55Å; Y105-T123 WeakPolarHBondContact CA-O 3.03Å; Y105-I124 HydrophobicContact CD2-CB 4.45Å; Y105-I124 HydrophobicContact CD2-CD1 4.17Å; Y105-I124 HydrophobicContact CD2-CG1 4.46Å
106	H	97.4	Very high	96	Very high	48 Å²	48	47.8 Å²	47.8	22%	0.222	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	151.4	171	-56.8	140.1	0	0	0	111.7	I122 T123 S183	H106-I122 CarbonylContact O-C 3.57Å; H106-I122 WeakPolarHBondContact O-CA 3.25Å; H106-I122 VanDerWaalsContact O-CB 3.24Å; H106-I122 WeakPolarHBondContact O-CB 3.34Å; H106-T123 PolarHBondContact N-O 2.89Å; H106-T123 PolarHBondContact O-N 3.16Å; H106-S183 WeakPolarHBondContact CB-OG 3.45Å; H106-S183 VanDerWaalsContact CG-OG 3.3Å; H106-S183 WeakPolarHBondContact ND1-CB 3.31Å; H106-S183 PolarHBondContact ND1-OG 2.85Å; H106-S183 VanDerWaalsContact ND1-OG 3.08Å
107	R	96.6	Very high	96	Very high	56 Å²	56	48 Å²	48	21%	0.211	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	137.3	180	61.2	-164.9	160.3	-156.3	-2.7	111.4	F73 E84 Y105 I122 R185	F73-R107 HydrophobicContact CE1-CB 3.77Å; F73-R107 HydrophobicContact CE1-CG 4.35Å; E84-R107 IonicContact OE1-CZ 2.87Å; E84-R107 IonicContact OE1-NH1 3.44Å; E84-R107 PolarHBondContact OE1-NH1 2.86Å; E84-R107 IonicContact OE2-NH1 3.75Å; E84-R107 PolarHBondContact OE2-NH1 3.4Å; Y105-R107 HydrophobicContact CE1-CB 4.41Å; R107-I122 HydrophobicContact CB-CG2 4.15Å; R107-R185 WeakPolarHBondContact O-CB 3.28Å
108	C	96.6	Very high	96	Very high	12 Å²	12	51.9 Å²	51.9	8%	0.081	24%	0.242	C	C	.	.	S	Bend	trans	-71.3	-52.2	179.6	180	0	0	0	0	112.7	V121 A184 C188 R191 C323 F325	C108-V121 HydrophobicContact CB-CB 4.26Å; C108-V121 WeakPolarHBondContact CB-O 3.39Å; C108-V121 PolarHBondContact N-O 3.11Å; C108-A184 WeakPolarHBondContact CA-O 3.47Å; C108-A184 HydrophobicContact CB-CB 4.24Å; C108-A184 VanDerWaalsContact CB-O 3.3Å; C108-A184 WeakPolarHBondContact CB-O 3.5Å; C108-C188 PolarHBondContact SG-SG 3.01Å; C108-R191 PolarHBondContact SG-NE 2.81Å; C108-C323 PolarHBondContact SG-SG 2.83Å; C108-F325 HydrophobicContact CB-CZ 4.07Å
109	G	91.9	Very high	96	Very high	7 Å²	7	46.1 Å²	46.1	7%	0.072	22%	0.215	C	C	.	.			trans	-121.1	153	-178.6	0	0	0	0	0	112.7	Q120	G109-Q120 PolarHBondContact O-NE2 3.28Å
110	R	94.1	Very high	96.1	Very high	161 Å²	161	44 Å²	44	61%	0.608	20%	0.204	S	C	*	.			trans	-115	87.5	167.2	-65.5	175.8	72	161.2	3	107.3	A74	A74-R110 HydrophobicContact CB-CG 4.5Å
111	T	96.6	Very high	96.3	Very high	8 Å²	8	40.2 Å²	40.2	5%	0.049	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-70.4	139.2	178	63.2	0	0	0	0	110	Y65 G72 F73 V115 L320	Y65-T111 WeakPolarHBondContact OH-CG2 3.38Å; Y65-T111 PolarHBondContact OH-OG1 2.85Å; G72-T111 VanDerWaalsContact CA-O 3.32Å; G72-T111 WeakPolarHBondContact CA-O 3.18Å; F73-T111 WeakPolarHBondContact CB-OG1 3.43Å; F73-T111 PolarHBondContact N-O 3.5Å; T111-V115 HydrophobicContact CG2-CG1 4.01Å; T111-L320 HydrophobicContact CG2-CB 3.94Å; T111-L320 HydrophobicContact CG2-CD2 4.19Å
112	D	95.1	Very high	96.5	Very high	34 Å²	34	32.4 Å²	32.4	18%	0.182	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-69	170.3	179.2	-63.5	-24.3	0	0	0	111.4	G72 G114 V115 Y272 H273	G72-D112 WeakPolarHBondContact CA-O 3.44Å; D112-G114 PolarHBondContact O-N 3.02Å; D112-V115 HydrophobicContact CB-CG2 3.92Å; D112-V115 WeakPolarHBondContact O-CB 3.36Å; D112-V115 PolarHBondContact O-N 2.98Å; D112-V115 VanDerWaalsContact O-N 3.15Å; D112-Y272 VanDerWaalsContact OD1-CE2 3.22Å; D112-Y272 WeakPolarHBondContact OD1-CE2 3.49Å; D112-H273 IonicContact OD2-CE1 3.64Å; D112-H273 PolarHBondContact OD2-CE1 2.84Å; D112-H273 IonicContact OD2-CG 2.68Å; D112-H273 IonicContact OD2-ND1 3.76Å; D112-H273 IonicContact OD2-NE2 3.67Å
113	K	95.7	Very high	96.7	Very high	129 Å²	129	30.1 Å²	30.1	56%	0.561	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-47.2	138.1	168.5	174.7	176.4	177	-174.5	0	110.3	V115 D315	K113-V115 PolarHBondContact O-N 3.3Å; K113-D315 WeakPolarHBondContact O-CB 3.17Å
114	G	96.1	Very high	96.9	Very high	4 Å²	4	30 Å²	30	4%	0.041	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	-19.4	178.5	0	0	0	0	0	115.6	G67 Y70 D112	G67-G114 CarbonylContact C-O 3.48Å; G67-G114 VanDerWaalsContact O-CA 3.29Å; G67-G114 WeakPolarHBondContact O-CA 3.42Å; G67-G114 PolarHBondContact O-N 3.27Å; Y70-G114 PolarHBondContact O-N 2.84Å; D112-G114 PolarHBondContact O-N 3.02Å
115	V	98.1	Very high	97	Very high	3 Å²	3	28.3 Å²	28.3	2%	0.018	13%	0.127	C	C	.	.			trans	-76.9	129.3	-176.2	178.3	0	0	0	0	110.7	G67 T111 D112 K113 D315 L318	G67-V115 WeakPolarHBondContact CA-O 3.29Å; T111-V115 HydrophobicContact CG2-CG1 4.01Å; D112-V115 HydrophobicContact CB-CG2 3.92Å; D112-V115 WeakPolarHBondContact O-CB 3.36Å; D112-V115 PolarHBondContact O-N 2.98Å; D112-V115 VanDerWaalsContact O-N 3.15Å; K113-V115 PolarHBondContact O-N 3.3Å; V115-D315 HydrophobicContact CG2-CB 4.14Å; V115-L318 HydrophobicContact CG1-CB 4.11Å; V115-L318 HydrophobicContact CG1-CD2 4.05Å; V115-L318 HydrophobicContact CG1-CG 3.88Å; V115-L318 WeakPolarHBondContact CG1-O 3.42Å; V115-L318 HydrophobicContact CG2-CB 4.24Å; V115-L318 HydrophobicContact CG2-CD2 4.05Å; V115-L318 HydrophobicContact CG2-CG 4.45Å
116	S	98.5	Very high	97	Very high	7 Å²	7	27.5 Å²	27.5	5%	0.049	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	168.4	179.4	-59.7	0	0	0	0	112.1	Y65 G67 L318 V319 L320	Y65-S116 WeakPolarHBondContact O-CB 3.18Å; G67-S116 PolarHBondContact N-OG 2.96Å; S116-L318 PolarHBondContact N-O 2.83Å; S116-V319 VanDerWaalsContact O-CA 3.31Å; S116-V319 WeakPolarHBondContact O-CA 3.04Å; S116-L320 PolarHBondContact O-N 2.81Å
117	A	98.4	Very high	96.9	Very high	5 Å²	5	27.1 Å²	27.1	4%	0.041	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	143.8	169.3	0	0	0	0	0	111.3	A64 Y65 Q120 L320	A64-A117 CarbonylContact C-O 3.58Å; A64-A117 VanDerWaalsContact CA-O 3.24Å; A64-A117 WeakPolarHBondContact CA-O 3.4Å; Y65-A117 HydrophobicContact CD1-CB 4.09Å; Y65-A117 HydrophobicContact CD2-CB 4.3Å; Y65-A117 HydrophobicContact CE1-CB 3.52Å; Y65-A117 HydrophobicContact CE2-CB 3.74Å; Y65-A117 HydrophobicContact CG-CB 4.46Å; Y65-A117 PolarHBondContact N-O 3.32Å; Y65-A117 PolarHBondContact O-N 2.84Å; A117-Q120 HydrophobicContact CB-CB 3.86Å; A117-L320 CarbonylContact C-O 3.58Å; A117-L320 VanDerWaalsContact CA-O 3.32Å; A117-L320 WeakPolarHBondContact CA-O 3.38Å; A117-L320 HydrophobicContact CB-CB 3.9Å; A117-L320 HydrophobicContact CB-CG 4.47Å
118	F	97.2	Very high	96.8	Very high	88 Å²	88	24.5 Å²	24.5	39%	0.386	11%	0.111	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	-35	171.2	-177.9	-115.1	0	0	0	112	L63 A64 L173 V319 L320 Y321	L63-F118 CarbonylContact O-C 3.59Å; A64-F118 HydrophobicContact CB-CD2 4.38Å; A64-F118 WeakPolarHBondContact CB-O 3.33Å; F118-L173 HydrophobicContact CE2-CD1 4.23Å; F118-L173 HydrophobicContact CZ-CD1 4.41Å; F118-L173 WeakPolarHBondContact O-CD1 3.24Å; F118-V319 HydrophobicContact CB-CG1 4.42Å; F118-L320 PolarHBondContact N-O 2.88Å; F118-Y321 HydrophobicContact CB-CD2 4.35Å; F118-Y321 HydrophobicContact CD1-CE2 4.25Å
119	S	95.8	Very high	96.6	Very high	3 Å²	3	24.9 Å²	24.9	2%	0.021	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	55.2	-179.6	-175.1	0	0	0	0	111.1	K62 Y321 C323	K62-S119 VanDerWaalsContact CD-OG 3.31Å; K62-S119 WeakPolarHBondContact CD-OG 3.44Å; K62-S119 WeakPolarHBondContact CE-OG 3.42Å; S119-Y321 WeakPolarHBondContact CB-O 3.11Å; S119-C323 PolarHBondContact O-SG 2.86Å
120	Q	98.1	Very high	96.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	142	163.4	173.3	69	-77.9	0	0	108.6	K62 L63 Y65 F73 G109 A117 L320	K62-Q120 CarbonylContact C-O 3.56Å; K62-Q120 WeakPolarHBondContact CA-O 3.35Å; L63-Q120 HydrophobicContact CB-CB 4.34Å; L63-Q120 PolarHBondContact N-O 2.92Å; L63-Q120 PolarHBondContact O-N 3.38Å; Y65-Q120 HydrophobicContact CE1-CB 3.78Å; Y65-Q120 HydrophobicContact CE1-CG 4.05Å; F73-Q120 HydrophobicContact CD2-CG 4.2Å; F73-Q120 HydrophobicContact CE2-CG 3.78Å; F73-Q120 HydrophobicContact CZ-CG 4.17Å; G109-Q120 PolarHBondContact O-NE2 3.28Å; A117-Q120 HydrophobicContact CB-CB 3.86Å; Q120-L320 HydrophobicContact CB-CD2 4.3Å
121	V	98.5	Very high	96.2	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	134.9	178	178.2	0	0	0	0	110.1	A60 L61 C108 A184 C323 F325 W330	A60-V121 HydrophobicContact CB-CG1 4.22Å; L61-V121 WeakPolarHBondContact O-CA 2.89Å; C108-V121 HydrophobicContact CB-CB 4.26Å; C108-V121 WeakPolarHBondContact CB-O 3.39Å; C108-V121 PolarHBondContact N-O 3.11Å; V121-A184 HydrophobicContact CG1-CB 4.11Å; V121-C323 HydrophobicContact CG2-CB 4.17Å; V121-F325 HydrophobicContact CB-CE2 3.62Å; V121-F325 HydrophobicContact CB-CZ 3.95Å; V121-F325 HydrophobicContact CG1-CD2 4.49Å; V121-F325 HydrophobicContact CG1-CE2 3.73Å; V121-F325 HydrophobicContact CG1-CZ 3.9Å; V121-F325 HydrophobicContact CG2-CD2 4.41Å; V121-F325 HydrophobicContact CG2-CE2 3.7Å; V121-W330 HydrophobicContact CG1-CH2 4.01Å; V121-W330 HydrophobicContact CG2-CH2 3.91Å; V121-W330 HydrophobicContact CG2-CZ2 4.19Å
122	I	98.6	Very high	95.5	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	156.1	166.7	67.9	165	0	0	0	109.4	A60 L61 L63 F73 L87 Y105 H106 R107 I124	A60-I122 CarbonylContact C-O 3.58Å; A60-I122 VanDerWaalsContact CA-O 3.27Å; A60-I122 WeakPolarHBondContact CA-O 3.3Å; L61-I122 HydrophobicContact CB-CD1 4.42Å; L61-I122 HydrophobicContact CB-CG1 3.85Å; L61-I122 HydrophobicContact CD1-CD1 4.14Å; L61-I122 HydrophobicContact CD1-CG1 4.44Å; L61-I122 HydrophobicContact CG-CG1 4.47Å; L61-I122 PolarHBondContact N-O 3.06Å; L61-I122 PolarHBondContact O-N 3.01Å; L61-I122 VanDerWaalsContact O-N 3.07Å; L63-I122 HydrophobicContact CD1-CG1 3.95Å; L63-I122 HydrophobicContact CD1-CG2 4.21Å; F73-I122 HydrophobicContact CE1-CG2 4.41Å; F73-I122 HydrophobicContact CZ-CG2 3.75Å; L87-I122 HydrophobicContact CD2-CD1 3.53Å; Y105-I122 HydrophobicContact CD2-CB 4.47Å; Y105-I122 HydrophobicContact CD2-CD1 4.12Å; Y105-I122 HydrophobicContact CE2-CB 3.83Å; Y105-I122 HydrophobicContact CE2-CD1 3.67Å; Y105-I122 HydrophobicContact CE2-CG1 4.36Å; Y105-I122 HydrophobicContact CE2-CG2 3.81Å; H106-I122 CarbonylContact O-C 3.57Å; H106-I122 WeakPolarHBondContact O-CA 3.25Å; H106-I122 VanDerWaalsContact O-CB 3.24Å; H106-I122 WeakPolarHBondContact O-CB 3.34Å; R107-I122 HydrophobicContact CB-CG2 4.15Å; I122-I124 HydrophobicContact CD1-CG2 4.26Å
123	T	98.5	Very high	95	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	143.5	163.2	57.1	0	0	0	0	110	V59 A60 Y105 H106 F182 A184	V59-T123 CarbonylContact O-C 3.59Å; V59-T123 WeakPolarHBondContact O-CA 3.35Å; A60-T123 HydrophobicContact CB-CG2 3.85Å; Y105-T123 CarbonylContact C-O 3.55Å; Y105-T123 WeakPolarHBondContact CA-O 3.03Å; H106-T123 PolarHBondContact N-O 2.89Å; H106-T123 PolarHBondContact O-N 3.16Å; T123-F182 HydrophobicContact CG2-CD1 3.46Å; T123-F182 VanDerWaalsContact CG2-CD1 3.46Å; T123-F182 HydrophobicContact CG2-CE1 3.61Å; T123-F182 PolarHBondContact OG1-O 3.02Å; T123-A184 HydrophobicContact CG2-CB 3.82Å; T123-A184 PolarHBondContact OG1-N 3.18Å; T123-A184 VanDerWaalsContact OG1-N 3.15Å
124	I	98.6	Very high	94.7	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.2	149.2	-171.5	-166.4	173	0	0	0	110.4	V59 L61 F88 L91 I97 S103 Y105 I122 L126	V59-I124 HydrophobicContact CG2-CG2 4.12Å; V59-I124 WeakPolarHBondContact CG2-O 3.42Å; V59-I124 PolarHBondContact N-O 3.11Å; V59-I124 PolarHBondContact O-N 3.41Å; L61-I124 HydrophobicContact CD1-CG2 4.13Å; L61-I124 HydrophobicContact CG-CG2 4.44Å; F88-I124 HydrophobicContact CZ-CD1 4.29Å; L91-I124 HydrophobicContact CD1-CD1 3.7Å; L91-I124 HydrophobicContact CD2-CD1 4.47Å; I97-I124 HydrophobicContact CG2-CD1 3.91Å; I97-I124 HydrophobicContact CG2-CG1 4.43Å; S103-I124 VanDerWaalsContact O-CG1 3.24Å; S103-I124 WeakPolarHBondContact O-CG1 3.44Å; Y105-I124 HydrophobicContact CD2-CB 4.45Å; Y105-I124 HydrophobicContact CD2-CD1 4.17Å; Y105-I124 HydrophobicContact CD2-CG1 4.46Å; I122-I124 HydrophobicContact CD1-CG2 4.26Å; I124-L126 HydrophobicContact CD1-CD2 4.21Å; I124-L126 HydrophobicContact CG1-CD2 4.27Å; I124-L126 HydrophobicContact CG2-CD2 3.61Å; I124-L126 HydrophobicContact CG2-CG 3.93Å
125	D	98.1	Very high	94.5	Very high	13 Å²	13	23.5 Å²	23.5	7%	0.07	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	116.5	169.6	-67.1	-6.6	0	0	0	109.7	R57 H58 S103 N104	R57-D125 WeakPolarHBondContact O-CA 3.28Å; H58-D125 WeakPolarHBondContact CB-OD1 3.3Å; H58-D125 IonicContact CE1-OD1 3.45Å; H58-D125 IonicContact CG-OD1 3.34Å; H58-D125 IonicContact ND1-OD1 2.96Å; H58-D125 PolarHBondContact ND1-OD1 2.94Å; S103-D125 PolarHBondContact O-N 3.43Å; N104-D125 HydrophobicContact CB-CB 4.44Å; N104-D125 WeakPolarHBondContact CB-OD2 3.5Å; N104-D125 PolarHBondContact ND2-OD1 3.28Å
126	L	97.8	Very high	94.3	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	150.5	176	-57.2	-175.6	0	0	0	111.1	R56 R57 V59 L61 L91 L96 I97 I124 S128 Y158	R56-L126 CarbonylContact C-O 3.54Å; R56-L126 WeakPolarHBondContact CA-O 3.44Å; R57-L126 PolarHBondContact N-O 2.86Å; R57-L126 PolarHBondContact O-N 3.1Å; V59-L126 HydrophobicContact CG2-CD1 3.56Å; V59-L126 HydrophobicContact CG2-CG 3.74Å; L61-L126 HydrophobicContact CD1-CD1 4.31Å; L61-L126 HydrophobicContact CD2-CD1 4.37Å; L91-L126 HydrophobicContact CD2-CD2 3.59Å; L96-L126 HydrophobicContact CB-CD2 4.18Å; L96-L126 CarbonylContact O-C 3.58Å; I97-L126 HydrophobicContact CG2-CD2 3.84Å; I124-L126 HydrophobicContact CD1-CD2 4.21Å; I124-L126 HydrophobicContact CG1-CD2 4.27Å; I124-L126 HydrophobicContact CG2-CD2 3.61Å; I124-L126 HydrophobicContact CG2-CG 3.93Å; L126-S128 PolarHBondContact O-N 3.47Å; L126-Y158 HydrophobicContact CB-CD1 4.49Å; L126-Y158 HydrophobicContact CB-CE1 3.92Å; L126-Y158 HydrophobicContact CD1-CD1 3.7Å; L126-Y158 HydrophobicContact CD1-CD2 4.22Å; L126-Y158 HydrophobicContact CD1-CE1 3.92Å; L126-Y158 HydrophobicContact CD1-CE2 4.42Å; L126-Y158 HydrophobicContact CD1-CG 3.87Å
127	R	96.6	Very high	94.1	Very high	40 Å²	40	24.7 Å²	24.7	15%	0.151	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.9	132.4	165.5	177.5	170.4	61.3	122.6	-0.1	109.7	F49 H54 T94 R95 L96 L156 Y158	F49-R127 VanDerWaalsContact CZ-CD 3.45Å; H54-R127 HydrophobicContact CB-CG 3.91Å; T94-R127 PolarHBondContact O-NH2 3.32Å; R95-R127 PolarHBondContact O-NE 2.91Å; R95-R127 PolarHBondContact O-NH2 3.21Å; L96-R127 PolarHBondContact O-N 2.99Å; R127-L156 HydrophobicContact CG-CD1 4.4Å; R127-L156 WeakPolarHBondContact O-CD1 3.2Å; R127-Y158 VanDerWaalsContact O-CE1 3.32Å; R127-Y158 WeakPolarHBondContact O-CE1 3.42Å; R127-Y158 PolarHBondContact O-OH 3.22Å
128	S	95	Very high	93.9	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.007	16%	0.164	C	C	.	.			trans	-118.9	156.2	-178.9	173.2	0	0	0	0	111.2	P55 L126 Q130 E155	P55-S128 PolarHBondContact O-N 2.99Å; L126-S128 PolarHBondContact O-N 3.47Å; S128-Q130 WeakPolarHBondContact OG-CB 3.38Å; S128-Q130 PolarHBondContact OG-N 3.24Å; S128-E155 WeakPolarHBondContact CB-OE2 3.37Å; S128-E155 VanDerWaalsContact OG-CD 3.28Å; S128-E155 PolarHBondContact OG-OE1 3Å; S128-E155 PolarHBondContact OG-OE2 3.28Å
129	S	92.4	Very high	93.6	Very high	19 Å²	19	26 Å²	26	13%	0.133	16%	0.163	C	C	.	.			trans	-97.1	2.6	171.7	55.4	0	0	0	0	113	F131 S152 S154 E155 L156	S129-F131 WeakPolarHBondContact O-CD2 3.42Å; S129-F131 PolarHBondContact O-N 3.4Å; S129-S152 WeakPolarHBondContact CB-OG 3.42Å; S129-S152 PolarHBondContact O-OG 2.93Å; S129-S152 PolarHBondContact OG-OG 2.81Å; S129-S152 VanDerWaalsContact OG-OG 3.09Å; S129-S154 PolarHBondContact OG-O 3.15Å; S129-E155 PolarHBondContact N-OE1 3.33Å; S129-E155 WeakPolarHBondContact OG-CA 3.1Å; S129-E155 PolarHBondContact OG-OE1 3.15Å; S129-L156 PolarHBondContact OG-N 3.31Å
130	Q	89.8	Confident	93.1	Very high	24 Å²	24	27.2 Å²	27.2	11%	0.112	17%	0.171	C	C	.	.			trans	-94.2	94.1	-171.1	-63.1	-68	-44.4	0	0	111.3	P55 S128 V137 S152 S154 E155	P55-Q130 WeakPolarHBondContact CG-O 3.41Å; S128-Q130 WeakPolarHBondContact OG-CB 3.38Å; S128-Q130 PolarHBondContact OG-N 3.24Å; Q130-V137 HydrophobicContact CB-CG2 4.16Å; Q130-V137 WeakPolarHBondContact O-CG1 3.45Å; Q130-S152 PolarHBondContact NE2-O 3.09Å; Q130-S152 PolarHBondContact NE2-OG 2.83Å; Q130-S154 PolarHBondContact NE2-O 3.21Å; Q130-E155 WeakPolarHBondContact CG-OE2 3.46Å
131	F	87.1	Confident	92.3	Very high	34 Å²	34	36.4 Å²	36.4	15%	0.149	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-11.5	-179.3	-68.7	-85.2	0	0	0	114	P55 S129 L143 K148	P55-F131 HydrophobicContact CG-CD1 3.62Å; P55-F131 HydrophobicContact CG-CE1 3.82Å; P55-F131 HydrophobicContact CG-CG 4.05Å; P55-F131 HydrophobicContact CG-CZ 4.32Å; S129-F131 WeakPolarHBondContact O-CD2 3.42Å; S129-F131 PolarHBondContact O-N 3.4Å; F131-L143 HydrophobicContact CD1-CD1 4.39Å; F131-L143 HydrophobicContact CD1-CD2 3.55Å; F131-L143 HydrophobicContact CE1-CD1 4.01Å; F131-L143 HydrophobicContact CE1-CD2 4.01Å; F131-K148 HydrophobicContact CE1-CD 3.87Å; F131-K148 HydrophobicContact CE2-CD 4.5Å; F131-K148 HydrophobicContact CZ-CD 3.88Å
132	C	82	Confident	91.1	Very high	92 Å²	92	44.1 Å²	44.1	62%	0.622	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	11.8	179.2	56.6	0	0	0	0	113.8
133	G	84	Confident	89.9	Confident	21 Å²	21	45.6 Å²	45.6	22%	0.216	26%	0.263	C	S	.	.			trans	81	-160.7	-174.7	0	0	0	0	0	113.2
134	G	89.1	Confident	88.3	Confident	51 Å²	51	51.2 Å²	51.2	53%	0.526	29%	0.293	S	S	.	.			trans	130.8	172.9	-174.8	0	0	0	0	0	111.9	G136 V137	G134-G136 PolarHBondContact O-N 3.01Å; G134-V137 WeakPolarHBondContact O-CB 3.44Å; G134-V137 PolarHBondContact O-N 2.77Å
135	L	92.9	Very high	86.7	Confident	92 Å²	92	56.3 Å²	56.3	48%	0.482	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	124.3	-179.7	-174.9	64.2	0	0	0	111.1	V137 A177 E179	L135-V137 PolarHBondContact O-N 3.06Å; L135-A177 HydrophobicContact CB-CB 4.16Å; L135-A177 HydrophobicContact CD2-CB 4.02Å; L135-A177 HydrophobicContact CG-CB 4.17Å; L135-E179 HydrophobicContact CD1-CG 3.76Å
136	G	93.3	Very high	84.8	Confident	11 Å²	11	58.8 Å²	58.8	11%	0.113	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	73	3.7	-180	0	0	0	0	0	115.3	R57 H58 G134 A178	R57-G136 CarbonylContact C-O 3.52Å; R57-G136 VanDerWaalsContact CA-O 3.24Å; R57-G136 WeakPolarHBondContact CA-O 3.35Å; H58-G136 PolarHBondContact N-O 2.72Å; G134-G136 PolarHBondContact O-N 3.01Å; G136-A178 WeakPolarHBondContact CA-O 3.15Å
137	V	94.8	Very high	82.6	Confident	25 Å²	25	64.2 Å²	64.2	15%	0.152	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	130.3	-177.9	178.1	0	0	0	0	111.3	P55 R56 R57 Q130 G134 L135 L139	P55-V137 HydrophobicContact CB-CG1 4.17Å; R56-V137 CarbonylContact O-C 3.52Å; R56-V137 VanDerWaalsContact O-CA 3.31Å; R56-V137 WeakPolarHBondContact O-CA 3.48Å; R57-V137 HydrophobicContact CB-CG2 4.3Å; R57-V137 HydrophobicContact CG-CG2 4.16Å; Q130-V137 HydrophobicContact CB-CG2 4.16Å; Q130-V137 WeakPolarHBondContact O-CG1 3.45Å; G134-V137 WeakPolarHBondContact O-CB 3.44Å; G134-V137 PolarHBondContact O-N 2.77Å; L135-V137 PolarHBondContact O-N 3.06Å; V137-L139 HydrophobicContact CG1-CD2 4.36Å
138	T	93.5	Very high	80.7	Confident	49 Å²	49	66.5 Å²	66.5	30%	0.301	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	123.6	170.8	-46.8	0	0	0	0	109.8	P55 R56	P55-T138 WeakPolarHBondContact CA-O 3.25Å; R56-T138 PolarHBondContact N-O 3.03Å; R56-T138 PolarHBondContact O-N 3.44Å
139	L	90.9	Very high	78.5	Confident	70 Å²	70	71.9 Å²	71.9	37%	0.366	43%	0.43	S	S	.	.			trans	-85.9	148.1	176	-62.1	177.8	0	0	0	111.1	P55 V137	P55-L139 HydrophobicContact CB-CD2 4.07Å; P55-L139 HydrophobicContact CG-CD2 3.79Å; V137-L139 HydrophobicContact CG1-CD2 4.36Å
140	P	86.6	Confident	76.7	Confident	30 Å²	30	79.9 Å²	79.9	20%	0.195	46%	0.463	C	S	.	.			trans	-68.6	142.7	170.6	-15.9	31	0	0	0	111.6	S52 H54 N142 L143	S52-P140 WeakPolarHBondContact O-CB 3.3Å; S52-P140 WeakPolarHBondContact O-CG 3.49Å; H54-P140 WeakPolarHBondContact O-CG 3.34Å; P140-N142 VanDerWaalsContact C-N 3.29Å; P140-N142 PolarHBondContact O-N 3.07Å; P140-L143 HydrophobicContact CB-CB 4.27Å; P140-L143 HydrophobicContact CG-CB 4.44Å; P140-L143 HydrophobicContact CG-CD1 4.44Å; P140-L143 WeakPolarHBondContact O-CB 3.43Å; P140-L143 PolarHBondContact O-N 2.84Å
141	E	80.6	Confident	75	Confident	193 Å²	193	81.6 Å²	81.6	90%	0.902	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-35	-177.2	-66	176.4	177.1	0	0	113.4
142	N	73.7	Confident	73.6	Confident	161 Å²	161	82 Å²	82	86%	0.861	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	22.1	-175.5	-63.3	-40.5	0	0	0	113.5	P140 D144	P140-N142 VanDerWaalsContact C-N 3.29Å; P140-N142 PolarHBondContact O-N 3.07Å; N142-D144 PolarHBondContact O-N 2.98Å
143	L	71.9	Confident	72.9	Confident	31 Å²	31	83.1 Å²	83.1	16%	0.162	50%	0.504	C	S	.	.			trans	-81.5	112.6	-176	-169.5	82.7	0	0	0	111.1	F131 P140 L145	F131-L143 HydrophobicContact CD1-CD1 4.39Å; F131-L143 HydrophobicContact CD1-CD2 3.55Å; F131-L143 HydrophobicContact CE1-CD1 4.01Å; F131-L143 HydrophobicContact CE1-CD2 4.01Å; P140-L143 HydrophobicContact CB-CB 4.27Å; P140-L143 HydrophobicContact CG-CB 4.44Å; P140-L143 HydrophobicContact CG-CD1 4.44Å; P140-L143 WeakPolarHBondContact O-CB 3.43Å; P140-L143 PolarHBondContact O-N 2.84Å; L143-L145 HydrophobicContact CD2-CD2 3.85Å; L143-L145 PolarHBondContact O-N 3.13Å
144	D	66.1	Low	72.8	Confident	118 Å²	118	86.2 Å²	86.2	63%	0.631	52%	0.523	S	S	*	.			trans	-71.5	98.3	171.4	-164.9	-6.6	0	0	0	110.3	N142 G146 T147	N142-D144 PolarHBondContact O-N 2.98Å; D144-G146 PolarHBondContact O-N 2.81Å; D144-G146 VanDerWaalsContact O-N 3.16Å; D144-G146 PolarHBondContact OD1-N 2.76Å; D144-T147 PolarHBondContact O-N 3.02Å
145	L	64.6	Low	73	Confident	107 Å²	107	85 Å²	85	56%	0.56	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-17.1	-178.3	-66.6	171	0	0	0	112.6	L143 T147	L143-L145 HydrophobicContact CD2-CD2 3.85Å; L143-L145 PolarHBondContact O-N 3.13Å; L145-T147 PolarHBondContact O-N 3.22Å
146	G	58.4	Low	73.1	Confident	66 Å²	66	82.3 Å²	82.3	68%	0.68	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-24.9	-177.7	0	0	0	0	0	114.9	D144	D144-G146 PolarHBondContact O-N 2.81Å; D144-G146 VanDerWaalsContact O-N 3.16Å; D144-G146 PolarHBondContact OD1-N 2.76Å
147	T	52.1	Low	73.2	Confident	114 Å²	114	84.4 Å²	84.4	70%	0.699	50%	0.5	S	S	*	.	S	Bend	trans	-101	-9.5	-172.9	-7.1	0	0	0	0	114.7	D144 L145	D144-T147 PolarHBondContact O-N 3.02Å; L145-T147 PolarHBondContact O-N 3.22Å
148	K	55.9	Low	73.3	Confident	87 Å²	87	83.2 Å²	83.2	38%	0.378	49%	0.493	S	S	.	.			trans	-128.6	38.4	-176.7	-64.7	-173.1	-175.3	176.9	0	113.2	S53 F131 K150	S53-K148 PolarHBondContact O-NZ 2.99Å; S53-K148 VanDerWaalsContact O-NZ 3.15Å; F131-K148 HydrophobicContact CE1-CD 3.87Å; F131-K148 HydrophobicContact CE2-CD 4.5Å; F131-K148 HydrophobicContact CZ-CD 3.88Å; K148-K150 PolarHBondContact O-N 2.98Å
149	S	49.3	Very low	73.5	Confident	114 Å²	114	80.9 Å²	80.9	80%	0.797	48%	0.479	S	S	*	.			trans	-71.5	47.5	170.1	-166.9	0	0	0	0	113
150	K	53.3	Low	73.8	Confident	188 Å²	188	79.6 Å²	79.6	82%	0.817	47%	0.471	S	S	*	.			trans	-123	83	159.7	-80.6	-176.1	176.8	179	0	105.3	K148 S152	K148-K150 PolarHBondContact O-N 2.98Å; K150-S152 PolarHBondContact O-N 3.02Å; K150-S152 VanDerWaalsContact O-N 3.1Å
151	A	54.6	Low	74.4	Confident	60 Å²	60	80.1 Å²	80.1	50%	0.496	47%	0.471	S	S	.	.			trans	-49.2	120.7	161.2	0	0	0	0	0	106.7	A153	A151-A153 PolarHBondContact O-N 3.45Å
152	S	58.7	Low	75.2	Confident	41 Å²	41	71 Å²	71	29%	0.287	43%	0.428	S	S	.	.			trans	-66.8	130.7	169.9	65.6	0	0	0	0	106.7	S129 Q130 K150 S154	S129-S152 WeakPolarHBondContact CB-OG 3.42Å; S129-S152 PolarHBondContact O-OG 2.93Å; S129-S152 PolarHBondContact OG-OG 2.81Å; S129-S152 VanDerWaalsContact OG-OG 3.09Å; Q130-S152 PolarHBondContact NE2-O 3.09Å; Q130-S152 PolarHBondContact NE2-OG 2.83Å; K150-S152 PolarHBondContact O-N 3.02Å; K150-S152 VanDerWaalsContact O-N 3.1Å; S152-S154 WeakPolarHBondContact CB-O 3.5Å; S152-S154 PolarHBondContact O-N 2.9Å; S152-S154 PolarHBondContact OG-O 3.17Å
153	A	65.9	Low	76.3	Confident	117 Å²	117	64 Å²	64	97%	0.967	39%	0.391	S	S	*	.	S	Bend	trans	-59	-21.8	180	0	0	0	0	0	112.4	A151	A151-A153 PolarHBondContact O-N 3.45Å
154	S	83.5	Confident	77.5	Confident	86 Å²	86	71.5 Å²	71.5	60%	0.601	42%	0.417	S	S	*	.	S	Bend	trans	-133	150.3	178.8	65.1	0	0	0	0	111.1	S129 Q130 S152	S129-S154 PolarHBondContact OG-O 3.15Å; Q130-S154 PolarHBondContact NE2-O 3.21Å; S152-S154 WeakPolarHBondContact CB-O 3.5Å; S152-S154 PolarHBondContact O-N 2.9Å; S152-S154 PolarHBondContact OG-O 3.17Å
155	E	92.3	Very high	79	Confident	24 Å²	24	68.1 Å²	68.1	11%	0.112	40%	0.401	C	S	.	.			trans	-65.7	167.7	170.7	-172.5	55.5	-75.1	0	0	112	R57 S128 S129 Q130 Y158 W175	R57-E155 IonicContact CZ-OE2 3.78Å; R57-E155 IonicContact NE-OE2 3.23Å; R57-E155 PolarHBondContact NE-OE2 3.5Å; R57-E155 IonicContact NH2-OE2 2.69Å; S128-E155 WeakPolarHBondContact CB-OE2 3.37Å; S128-E155 VanDerWaalsContact OG-CD 3.28Å; S128-E155 PolarHBondContact OG-OE1 3Å; S128-E155 PolarHBondContact OG-OE2 3.28Å; S129-E155 PolarHBondContact N-OE1 3.33Å; S129-E155 WeakPolarHBondContact OG-CA 3.1Å; S129-E155 PolarHBondContact OG-OE1 3.15Å; Q130-E155 WeakPolarHBondContact CG-OE2 3.46Å; E155-Y158 HydrophobicContact CG-CD2 4.48Å; E155-Y158 HydrophobicContact CG-CE2 3.55Å; E155-Y158 WeakPolarHBondContact CG-OH 3.37Å; E155-Y158 PolarHBondContact OE2-OH 3.06Å; E155-W175 HydrophobicContact CB-CH2 4.12Å; E155-W175 HydrophobicContact CB-CZ2 3.95Å; E155-W175 HydrophobicContact CG-CH2 3.8Å; E155-W175 HydrophobicContact CG-CZ2 3.88Å
156	L	94.9	Very high	80.6	Confident	37 Å²	37	63.6 Å²	63.6	19%	0.194	38%	0.377	C	S	.	.			trans	-57.1	138.9	170	-62.8	-176.9	0	0	0	110.8	L96 R127 S129 Y158 M161	L96-L156 HydrophobicContact CD2-CD1 4.16Å; R127-L156 HydrophobicContact CG-CD1 4.4Å; R127-L156 WeakPolarHBondContact O-CD1 3.2Å; S129-L156 PolarHBondContact OG-N 3.31Å; L156-Y158 HydrophobicContact CB-CD1 4.05Å; L156-Y158 HydrophobicContact CB-CE1 3.71Å; L156-Y158 HydrophobicContact CD1-CE1 4.23Å; L156-Y158 HydrophobicContact CG-CE1 4.47Å; L156-Y158 PolarHBondContact O-N 2.97Å; L156-M161 HydrophobicContact CB-SD 4.29Å
157	P	95.8	Very high	82.4	Confident	54 Å²	54	62.5 Å²	62.5	35%	0.351	36%	0.358	S	S	.	.			trans	-78.5	72.6	-179.8	33.4	-35.8	0	0	0	110.3	V159 K160 M161	P157-V159 VanDerWaalsContact C-N 3.26Å; P157-V159 PolarHBondContact O-N 3.13Å; P157-K160 HydrophobicContact CB-CB 4.15Å; P157-K160 PolarHBondContact O-N 2.89Å; P157-M161 HydrophobicContact CG-CG 4.26Å; P157-M161 HydrophobicContact CG-SD 4.46Å; P157-M161 WeakPolarHBondContact O-CB 3.45Å; P157-M161 WeakPolarHBondContact O-CG 3.35Å; P157-M161 PolarHBondContact O-N 2.84Å
158	Y	97.6	Very high	84.3	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-53.4	-42.7	-172.6	-61	-52.2	0	0	0	112.6	V59 L96 L126 R127 E155 L156 M161 L162 W175	V59-Y158 HydrophobicContact CG1-CE2 4.24Å; L96-Y158 HydrophobicContact CD1-CD1 4.14Å; L96-Y158 HydrophobicContact CD2-CD1 3.69Å; L96-Y158 HydrophobicContact CD2-CE1 3.78Å; L126-Y158 HydrophobicContact CB-CD1 4.49Å; L126-Y158 HydrophobicContact CB-CE1 3.92Å; L126-Y158 HydrophobicContact CD1-CD1 3.7Å; L126-Y158 HydrophobicContact CD1-CD2 4.22Å; L126-Y158 HydrophobicContact CD1-CE1 3.92Å; L126-Y158 HydrophobicContact CD1-CE2 4.42Å; L126-Y158 HydrophobicContact CD1-CG 3.87Å; R127-Y158 VanDerWaalsContact O-CE1 3.32Å; R127-Y158 WeakPolarHBondContact O-CE1 3.42Å; R127-Y158 PolarHBondContact O-OH 3.22Å; E155-Y158 HydrophobicContact CG-CD2 4.48Å; E155-Y158 HydrophobicContact CG-CE2 3.55Å; E155-Y158 WeakPolarHBondContact CG-OH 3.37Å; E155-Y158 PolarHBondContact OE2-OH 3.06Å; L156-Y158 HydrophobicContact CB-CD1 4.05Å; L156-Y158 HydrophobicContact CB-CE1 3.71Å; L156-Y158 HydrophobicContact CD1-CE1 4.23Å; L156-Y158 HydrophobicContact CG-CE1 4.47Å; L156-Y158 PolarHBondContact O-N 2.97Å; Y158-M161 PolarHBondContact O-N 3.2Å; Y158-L162 WeakPolarHBondContact O-CB 3.19Å; Y158-L162 WeakPolarHBondContact O-CG 3.46Å; Y158-L162 PolarHBondContact O-N 3.33Å; Y158-W175 AromaticContact CD2-CD2 3.68Å; Y158-W175 HydrophobicContact CD2-CD2 3.68Å; Y158-W175 AromaticContact CD2-CE2 3.77Å; Y158-W175 HydrophobicContact CD2-CE3 4.05Å; Y158-W175 AromaticContact CD2-CG 3.97Å; Y158-W175 HydrophobicContact CD2-CG 3.97Å; Y158-W175 HydrophobicContact CD2-CZ2 4.2Å; Y158-W175 HydrophobicContact CD2-CZ3 4.48Å; Y158-W175 HydrophobicContact CE2-CD2 4.11Å; Y158-W175 HydrophobicContact CE2-CE3 4.07Å; Y158-W175 HydrophobicContact CE2-CH2 4.1Å; Y158-W175 HydrophobicContact CE2-CZ2 4.12Å; Y158-W175 HydrophobicContact CE2-CZ3 4.07Å
159	V	97.7	Very high	86.1	Confident	1 Å²	1	60.8 Å²	60.8	1%	0.006	34%	0.344	C	S	.	.	H	α-helix	trans	-61.3	-54.6	-178.2	-177.6	0	0	0	0	109.8	P157 M161 L162 N163 I172 E336	P157-V159 VanDerWaalsContact C-N 3.26Å; P157-V159 PolarHBondContact O-N 3.13Å; V159-M161 PolarHBondContact O-N 3.16Å; V159-L162 PolarHBondContact O-N 3.06Å; V159-N163 WeakPolarHBondContact CG1-ND2 3.31Å; V159-N163 VanDerWaalsContact O-CB 3.31Å; V159-N163 WeakPolarHBondContact O-CB 3.37Å; V159-N163 PolarHBondContact O-N 3.16Å; V159-I172 HydrophobicContact CB-CG2 4.43Å; V159-I172 HydrophobicContact CG1-CB 4.23Å; V159-I172 HydrophobicContact CG1-CG2 4.31Å; V159-I172 WeakPolarHBondContact CG1-O 3.45Å; V159-I172 HydrophobicContact CG2-CG2 4.01Å; V159-E336 HydrophobicContact CB-CG 4.47Å; V159-E336 HydrophobicContact CG1-CB 3.84Å; V159-E336 HydrophobicContact CG1-CG 3.94Å
160	K	97	Very high	88.4	Confident	43 Å²	43	55.3 Å²	55.3	19%	0.187	31%	0.306	C	S	.	.	H	α-helix	trans	-60.7	-41.7	178.4	-172.5	161.1	-165.3	158	0	112.8	P157 R164 E335 E336	P157-K160 HydrophobicContact CB-CB 4.15Å; P157-K160 PolarHBondContact O-N 2.89Å; K160-R164 VanDerWaalsContact CE-NH2 3.34Å; K160-R164 WeakPolarHBondContact O-CB 3.39Å; K160-R164 WeakPolarHBondContact O-CD 3.2Å; K160-R164 WeakPolarHBondContact O-CG 3.09Å; K160-R164 PolarHBondContact O-N 3.17Å; K160-E335 IonicContact NZ-OE1 3.66Å; K160-E335 IonicContact NZ-OE2 2.91Å; K160-E335 PolarHBondContact NZ-OE2 3.14Å; K160-E336 HydrophobicContact CB-CG 4.21Å; K160-E336 VanDerWaalsContact CG-OE1 3.27Å; K160-E336 WeakPolarHBondContact CG-OE1 3.32Å
161	M	97.7	Very high	90.5	Very high	41 Å²	41	48.3 Å²	48.3	20%	0.202	28%	0.275	C	S	.	.	H	α-helix	trans	-61.4	-47.6	178.3	-74	177.9	62.2	0	0	111.7	T94 L96 L156 P157 Y158 V159	T94-M161 HydrophobicContact CG2-CB 4.28Å; T94-M161 WeakPolarHBondContact CG2-O 3.49Å; L96-M161 HydrophobicContact CD1-CE 4.42Å; L96-M161 HydrophobicContact CD2-CE 3.8Å; L96-M161 HydrophobicContact CD2-SD 4.37Å; L96-M161 HydrophobicContact CG-CE 4.03Å; L156-M161 HydrophobicContact CB-SD 4.29Å; P157-M161 HydrophobicContact CG-CG 4.26Å; P157-M161 HydrophobicContact CG-SD 4.46Å; P157-M161 WeakPolarHBondContact O-CB 3.45Å; P157-M161 WeakPolarHBondContact O-CG 3.35Å; P157-M161 PolarHBondContact O-N 2.84Å; Y158-M161 PolarHBondContact O-N 3.2Å; V159-M161 PolarHBondContact O-N 3.16Å
162	L	98.1	Very high	92.6	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-72	-47.3	-178.4	-70.6	170.4	0	0	0	111.8	L61 A90 L91 L96 Y158 V159 R164 V165 L166 I172	L61-L162 HydrophobicContact CD1-CD1 3.97Å; A90-L162 HydrophobicContact CB-CD2 3.96Å; L91-L162 HydrophobicContact CD2-CD1 4.27Å; L91-L162 HydrophobicContact CD2-CD2 3.89Å; L91-L162 HydrophobicContact CG-CD2 4.07Å; L96-L162 HydrophobicContact CD1-CD1 4.28Å; L96-L162 HydrophobicContact CD1-CD2 3.95Å; L96-L162 HydrophobicContact CD1-CG 3.92Å; Y158-L162 WeakPolarHBondContact O-CB 3.19Å; Y158-L162 WeakPolarHBondContact O-CG 3.46Å; Y158-L162 PolarHBondContact O-N 3.33Å; V159-L162 PolarHBondContact O-N 3.06Å; L162-R164 PolarHBondContact O-N 3.08Å; L162-R164 VanDerWaalsContact O-N 3.15Å; L162-V165 WeakPolarHBondContact O-CG2 3.3Å; L162-V165 PolarHBondContact O-N 3.21Å; L162-L166 HydrophobicContact CB-CD1 4Å; L162-L166 WeakPolarHBondContact O-CB 3.21Å; L162-L166 VanDerWaalsContact O-CG 3.28Å; L162-L166 WeakPolarHBondContact O-CG 3.31Å; L162-L166 PolarHBondContact O-N 2.96Å; L162-I172 HydrophobicContact CB-CG1 3.72Å; L162-I172 HydrophobicContact CD1-CD1 4.23Å; L162-I172 HydrophobicContact CD1-CG1 3.83Å; L162-I172 HydrophobicContact CG-CG1 4.43Å
163	N	97.4	Very high	94.4	Very high	15 Å²	15	44.6 Å²	44.6	8%	0.08	24%	0.243	C	C	.	.	H	α-helix	trans	-61.2	-25.9	-178.9	-77.2	-19.8	0	0	0	113.5	V159 V165 R171 I172 E336	V159-N163 WeakPolarHBondContact CG1-ND2 3.31Å; V159-N163 VanDerWaalsContact O-CB 3.31Å; V159-N163 WeakPolarHBondContact O-CB 3.37Å; V159-N163 PolarHBondContact O-N 3.16Å; N163-V165 VanDerWaalsContact C-N 3.29Å; N163-V165 PolarHBondContact O-N 3.07Å; N163-R171 WeakPolarHBondContact OD1-CA 3.42Å; N163-I172 PolarHBondContact ND2-O 3.1Å; N163-I172 PolarHBondContact OD1-N 2.86Å; N163-E336 PolarHBondContact ND2-OE2 2.94Å
164	R	96.7	Very high	95.9	Very high	189 Å²	189	39 Å²	39	71%	0.713	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68	-25.1	174.5	-81.4	174.9	176	-170.7	-3.5	114.3	K160 L162	K160-R164 VanDerWaalsContact CE-NH2 3.34Å; K160-R164 WeakPolarHBondContact O-CB 3.39Å; K160-R164 WeakPolarHBondContact O-CD 3.2Å; K160-R164 WeakPolarHBondContact O-CG 3.09Å; K160-R164 PolarHBondContact O-N 3.17Å; L162-R164 PolarHBondContact O-N 3.08Å; L162-R164 VanDerWaalsContact O-N 3.15Å
165	V	98	Very high	96.6	Very high	47 Å²	47	35.3 Å²	35.3	29%	0.285	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.9	-12.3	-175.7	-61.2	0	0	0	0	113.5	A90 K93 T94 L162 N163	A90-V165 HydrophobicContact CB-CG2 3.6Å; K93-V165 HydrophobicContact CD-CB 4.11Å; K93-V165 HydrophobicContact CD-CG1 4.02Å; K93-V165 HydrophobicContact CG-CG1 4.43Å; T94-V165 HydrophobicContact CG2-CG1 4.45Å; T94-V165 HydrophobicContact CG2-CG2 3.72Å; L162-V165 WeakPolarHBondContact O-CG2 3.3Å; L162-V165 PolarHBondContact O-N 3.21Å; N163-V165 VanDerWaalsContact C-N 3.29Å; N163-V165 PolarHBondContact O-N 3.07Å
166	L	97.7	Very high	96.8	Very high	11 Å²	11	34.1 Å²	34.1	6%	0.058	17%	0.165	C	C	.	.	S	Bend	trans	-73.3	146.7	175.2	-77.7	167.7	0	0	0	112	L87 A90 L162 I170 I172	L87-L166 HydrophobicContact CD1-CD2 4.47Å; A90-L166 HydrophobicContact CB-CD2 3.61Å; A90-L166 HydrophobicContact CB-CG 3.83Å; L162-L166 HydrophobicContact CB-CD1 4Å; L162-L166 WeakPolarHBondContact O-CB 3.21Å; L162-L166 VanDerWaalsContact O-CG 3.28Å; L162-L166 WeakPolarHBondContact O-CG 3.31Å; L162-L166 PolarHBondContact O-N 2.96Å; L166-I170 HydrophobicContact CD1-CG2 4.3Å; L166-I170 HydrophobicContact CD2-CB 4.46Å; L166-I170 HydrophobicContact CD2-CG2 4.06Å; L166-I172 HydrophobicContact CD1-CD1 4.01Å; L166-I172 HydrophobicContact CD1-CG1 3.81Å
167	P	95.9	Very high	97	Very high	43 Å²	43	33 Å²	33	28%	0.279	16%	0.16	S	C	.	.			trans	-50.8	151.2	167	-27.8	37.1	0	0	0	112.7	R86 D169 I170 R171	R86-P167 HydrophobicContact CB-CG 4.16Å; R86-P167 HydrophobicContact CG-CG 4.11Å; P167-D169 WeakPolarHBondContact CB-OD1 3.44Å; P167-D169 PolarHBondContact O-N 3.42Å; P167-D169 VanDerWaalsContact O-N 3.11Å; P167-I170 HydrophobicContact CG-CD1 4.37Å; P167-I170 PolarHBondContact O-N 2.68Å; P167-R171 PolarHBondContact O-NH1 3.47Å
168	Q	92.1	Very high	97	Very high	121 Å²	121	30.5 Å²	30.5	57%	0.565	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-23.3	-170.6	-71.7	-168.2	5.8	0	0	115.5
169	D	94.1	Very high	96.9	Very high	44 Å²	44	37 Å²	37	24%	0.235	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	2.2	-179.5	50.7	-15.6	0	0	0	113.6	Y65 L66 Y70 P167	Y65-D169 CarbonylContact C-O 3.52Å; Y65-D169 WeakPolarHBondContact CA-O 3.07Å; Y65-D169 VanDerWaalsContact CB-O 3.31Å; Y65-D169 WeakPolarHBondContact CB-O 3.29Å; L66-D169 HydrophobicContact CB-CB 4.27Å; L66-D169 PolarHBondContact N-O 3.13Å; Y70-D169 HydrophobicContact CE2-CB 4.49Å; Y70-D169 WeakPolarHBondContact CE2-OD2 3.27Å; Y70-D169 PolarHBondContact OH-OD1 3.32Å; Y70-D169 PolarHBondContact OH-OD2 2.84Å; Y70-D169 VanDerWaalsContact OH-OD2 3.05Å; P167-D169 WeakPolarHBondContact CB-OD1 3.44Å; P167-D169 PolarHBondContact O-N 3.42Å; P167-D169 VanDerWaalsContact O-N 3.11Å
170	I	97.5	Very high	96.4	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	124.6	170.5	-56.1	170	0	0	0	109.2	Y70 V83 R86 L166 P167	Y70-I170 HydrophobicContact CE1-CD1 4.05Å; Y70-I170 HydrophobicContact CE2-CD1 4.26Å; Y70-I170 HydrophobicContact CE2-CG1 4.15Å; Y70-I170 VanDerWaalsContact OH-CD1 3.3Å; Y70-I170 WeakPolarHBondContact OH-CD1 3.33Å; V83-I170 HydrophobicContact CB-CD1 4.35Å; V83-I170 HydrophobicContact CG1-CD1 3.95Å; V83-I170 HydrophobicContact CG1-CG1 4.24Å; V83-I170 HydrophobicContact CG1-CG2 4.17Å; V83-I170 HydrophobicContact CG2-CD1 4.44Å; R86-I170 HydrophobicContact CB-CD1 3.63Å; R86-I170 HydrophobicContact CG-CD1 4.08Å; L166-I170 HydrophobicContact CD1-CG2 4.3Å; L166-I170 HydrophobicContact CD2-CB 4.46Å; L166-I170 HydrophobicContact CD2-CG2 4.06Å; P167-I170 HydrophobicContact CG-CD1 4.37Å; P167-I170 PolarHBondContact O-N 2.68Å
171	R	97.4	Very high	96.1	Very high	41 Å²	41	43.1 Å²	43.1	16%	0.155	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	136.6	-177.8	-68.8	-67.6	177.5	-101.2	11.4	112	L63 A64 N163 P167 V340	L63-R171 CarbonylContact C-O 3.59Å; L63-R171 VanDerWaalsContact CA-O 3.31Å; L63-R171 WeakPolarHBondContact CA-O 3.31Å; A64-R171 PolarHBondContact N-O 2.69Å; A64-R171 PolarHBondContact O-N 3.03Å; N163-R171 WeakPolarHBondContact OD1-CA 3.42Å; P167-R171 PolarHBondContact O-NH1 3.47Å; R171-V340 HydrophobicContact CB-CG1 4.41Å; R171-V340 HydrophobicContact CB-CG2 3.95Å; R171-V340 HydrophobicContact CG-CG1 4.41Å; R171-V340 HydrophobicContact CG-CG2 3.94Å
172	I	97.9	Very high	96	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	126.7	163.2	-48.6	-55.1	0	0	0	107.3	L61 K62 L63 L87 V159 L162 N163 L166	L61-I172 HydrophobicContact CD2-CG2 4.44Å; K62-I172 CarbonylContact O-C 3.55Å; K62-I172 WeakPolarHBondContact O-CA 3.37Å; L63-I172 HydrophobicContact CD2-CD1 3.45Å; L63-I172 VanDerWaalsContact CD2-CD1 3.45Å; L63-I172 HydrophobicContact CG-CD1 3.59Å; L87-I172 HydrophobicContact CD1-CD1 4.08Å; V159-I172 HydrophobicContact CB-CG2 4.43Å; V159-I172 HydrophobicContact CG1-CB 4.23Å; V159-I172 HydrophobicContact CG1-CG2 4.31Å; V159-I172 WeakPolarHBondContact CG1-O 3.45Å; V159-I172 HydrophobicContact CG2-CG2 4.01Å; L162-I172 HydrophobicContact CB-CG1 3.72Å; L162-I172 HydrophobicContact CD1-CD1 4.23Å; L162-I172 HydrophobicContact CD1-CG1 3.83Å; L162-I172 HydrophobicContact CG-CG1 4.43Å; N163-I172 PolarHBondContact ND2-O 3.1Å; N163-I172 PolarHBondContact OD1-N 2.86Å; L166-I172 HydrophobicContact CD1-CD1 4.01Å; L166-I172 HydrophobicContact CD1-CG1 3.81Å
173	L	96.9	Very high	96	Very high	22 Å²	22	42.7 Å²	42.7	12%	0.115	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	-26.3	179.2	-59.6	-171.5	0	0	0	112.5	K62 A64 F118 Q332 V340	K62-L173 HydrophobicContact CB-CB 4.44Å; K62-L173 HydrophobicContact CD-CB 4.43Å; K62-L173 HydrophobicContact CD-CD1 4.36Å; K62-L173 HydrophobicContact CG-CB 4.23Å; K62-L173 HydrophobicContact CG-CD1 4.31Å; K62-L173 PolarHBondContact O-N 3.05Å; A64-L173 HydrophobicContact CB-CD1 4Å; A64-L173 HydrophobicContact CB-CD2 3.96Å; A64-L173 HydrophobicContact CB-CG 4.02Å; F118-L173 HydrophobicContact CE2-CD1 4.23Å; F118-L173 HydrophobicContact CZ-CD1 4.41Å; F118-L173 WeakPolarHBondContact O-CD1 3.24Å; L173-Q332 WeakPolarHBondContact O-CG 3.31Å; L173-V340 HydrophobicContact CD2-CG1 3.87Å; L173-V340 HydrophobicContact CD2-CG2 4.42Å
174	G	97.3	Very high	96	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.7	174.5	-176.4	0	0	0	0	0	111.7	K62 Q331	K62-G174 PolarHBondContact N-O 2.83Å; G174-Q331 WeakPolarHBondContact CA-O 3.31Å
175	W	97.9	Very high	95.9	Very high	8 Å²	8	40.3 Å²	40.3	3%	0.03	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	157.7	177.1	73.8	-80.2	0	0	0	111	V59 A60 L61 E155 Y158 A177 Q331	V59-W175 HydrophobicContact CB-CE3 4.07Å; V59-W175 HydrophobicContact CG1-CE3 3.62Å; V59-W175 HydrophobicContact CG1-CZ3 3.72Å; A60-W175 CarbonylContact O-C 3.58Å; A60-W175 WeakPolarHBondContact O-CA 3.38Å; L61-W175 HydrophobicContact CD2-CB 3.54Å; E155-W175 HydrophobicContact CB-CH2 4.12Å; E155-W175 HydrophobicContact CB-CZ2 3.95Å; E155-W175 HydrophobicContact CG-CH2 3.8Å; E155-W175 HydrophobicContact CG-CZ2 3.88Å; Y158-W175 AromaticContact CD2-CD2 3.68Å; Y158-W175 HydrophobicContact CD2-CD2 3.68Å; Y158-W175 AromaticContact CD2-CE2 3.77Å; Y158-W175 HydrophobicContact CD2-CE3 4.05Å; Y158-W175 AromaticContact CD2-CG 3.97Å; Y158-W175 HydrophobicContact CD2-CG 3.97Å; Y158-W175 HydrophobicContact CD2-CZ2 4.2Å; Y158-W175 HydrophobicContact CD2-CZ3 4.48Å; Y158-W175 HydrophobicContact CE2-CD2 4.11Å; Y158-W175 HydrophobicContact CE2-CE3 4.07Å; Y158-W175 HydrophobicContact CE2-CH2 4.1Å; Y158-W175 HydrophobicContact CE2-CZ2 4.12Å; Y158-W175 HydrophobicContact CE2-CZ3 4.07Å; W175-A177 HydrophobicContact CZ3-CB 4.17Å; W175-Q331 VanDerWaalsContact CE2-OE1 3.24Å; W175-Q331 PolarHBondContact N-O 2.98Å; W175-Q331 WeakPolarHBondContact O-CA 3.29Å; W175-Q331 WeakPolarHBondContact O-CB 3.27Å; W175-Q331 PolarHBondContact O-N 2.96Å
176	A	97.9	Very high	95.8	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	142.7	172.5	0	0	0	0	0	109	V59 A60 L328 T329 W330	V59-A176 CarbonylContact C-O 3.5Å; V59-A176 WeakPolarHBondContact CA-O 3.4Å; V59-A176 WeakPolarHBondContact CB-O 3.18Å; A60-A176 HydrophobicContact CB-CB 4.47Å; A60-A176 PolarHBondContact N-O 3.26Å; A60-A176 PolarHBondContact O-N 3Å; A176-L328 HydrophobicContact CB-CB 4.12Å; A176-L328 HydrophobicContact CB-CD2 4.19Å; A176-T329 VanDerWaalsContact CB-O 3.27Å; A176-T329 WeakPolarHBondContact CB-O 3.22Å; A176-W330 HydrophobicContact CB-CD2 4.37Å; A176-W330 HydrophobicContact CB-CE3 4.07Å; A176-W330 HydrophobicContact CB-CZ3 4.34Å
177	A	97.3	Very high	95.7	Very high	13 Å²	13	47.3 Å²	47.3	11%	0.107	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	139.6	165.5	0	0	0	0	0	108.8	L135 W175	L135-A177 HydrophobicContact CB-CB 4.16Å; L135-A177 HydrophobicContact CD2-CB 4.02Å; L135-A177 HydrophobicContact CG-CB 4.17Å; W175-A177 HydrophobicContact CZ3-CB 4.17Å
178	A	97.1	Very high	95.8	Very high	2 Å²	2	45.7 Å²	45.7	2%	0.017	23%	0.225	C	C	.	.			trans	-127.1	150.2	-178.2	0	0	0	0	0	110.2	H58 G136 F182 L328	H58-A178 PolarHBondContact O-N 3.15Å; G136-A178 WeakPolarHBondContact CA-O 3.15Å; A178-F182 HydrophobicContact CB-CB 4.03Å; A178-F182 HydrophobicContact CB-CD1 3.83Å; A178-F182 HydrophobicContact CB-CG 4.08Å; A178-L328 HydrophobicContact CB-CD2 4.13Å
179	E	94.6	Very high	96.1	Very high	136 Å²	136	44.1 Å²	44.1	64%	0.636	22%	0.217	S	C	*	.			trans	-64.3	154.4	175.9	-71.6	-178.5	-177.3	0	0	111.6	H58 L135 G181 F182	H58-E179 PolarHBondContact CD2-O 3.08Å; H58-E179 VanDerWaalsContact CD2-O 3.23Å; L135-E179 HydrophobicContact CD1-CG 3.76Å; E179-G181 PolarHBondContact O-N 3.46Å; E179-G181 VanDerWaalsContact O-N 3.16Å; E179-F182 VanDerWaalsContact O-CB 3.3Å; E179-F182 WeakPolarHBondContact O-CB 3.24Å; E179-F182 PolarHBondContact O-N 2.68Å; E179-F182 VanDerWaalsContact O-N 3.08Å
180	Q	87.4	Confident	96.3	Very high	118 Å²	118	42.3 Å²	42.3	55%	0.551	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	121.3	175.6	-163.4	69.8	47	0	0	109.3
181	G	91.1	Very high	96.4	Very high	54 Å²	54	43.7 Å²	43.7	56%	0.557	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	98.6	-10.9	-178.4	0	0	0	0	0	114.8	E179 S183	E179-G181 PolarHBondContact O-N 3.46Å; E179-G181 VanDerWaalsContact O-N 3.16Å; G181-S183 PolarHBondContact O-N 3.05Å
182	F	96.4	Very high	96.4	Very high	29 Å²	29	42.4 Å²	42.4	13%	0.127	21%	0.21	C	C	.	.			trans	-58.7	133.1	173.8	-177.2	-88.4	0	0	0	111.2	H58 T123 A178 E179 D187 F325 L328	H58-F182 PolarHBondContact NE2-O 3.06Å; T123-F182 HydrophobicContact CG2-CD1 3.46Å; T123-F182 VanDerWaalsContact CG2-CD1 3.46Å; T123-F182 HydrophobicContact CG2-CE1 3.61Å; T123-F182 PolarHBondContact OG1-O 3.02Å; A178-F182 HydrophobicContact CB-CB 4.03Å; A178-F182 HydrophobicContact CB-CD1 3.83Å; A178-F182 HydrophobicContact CB-CG 4.08Å; E179-F182 VanDerWaalsContact O-CB 3.3Å; E179-F182 WeakPolarHBondContact O-CB 3.24Å; E179-F182 PolarHBondContact O-N 2.68Å; E179-F182 VanDerWaalsContact O-N 3.08Å; F182-D187 HydrophobicContact CD2-CB 3.97Å; F182-D187 HydrophobicContact CE2-CB 3.63Å; F182-D187 HydrophobicContact CZ-CB 4.08Å; F182-F325 HydrophobicContact CE1-CD1 4.21Å; F182-F325 HydrophobicContact CE1-CE1 4.46Å; F182-F325 HydrophobicContact CE2-CD1 4.42Å; F182-F325 HydrophobicContact CZ-CB 4.24Å; F182-F325 AromaticContact CZ-CD1 3.52Å; F182-F325 HydrophobicContact CZ-CD1 3.52Å; F182-F325 HydrophobicContact CZ-CE1 4.16Å; F182-F325 HydrophobicContact CZ-CG 4.14Å; F182-L328 HydrophobicContact CD1-CD2 4.43Å; F182-L328 HydrophobicContact CE1-CD1 3.9Å; F182-L328 HydrophobicContact CE1-CD2 3.93Å; F182-L328 HydrophobicContact CE1-CG 4.23Å; F182-L328 HydrophobicContact CE2-CD2 4.26Å; F182-L328 HydrophobicContact CE2-CG 4.36Å; F182-L328 HydrophobicContact CZ-CD1 3.7Å; F182-L328 HydrophobicContact CZ-CD2 3.82Å; F182-L328 HydrophobicContact CZ-CG 3.77Å
183	S	97	Very high	96.5	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.021	22%	0.215	C	C	.	.			trans	-126.7	119.3	-174.8	-174.7	0	0	0	0	110.7	H106 G181 R185 F186 D187	H106-S183 WeakPolarHBondContact CB-OG 3.45Å; H106-S183 VanDerWaalsContact CG-OG 3.3Å; H106-S183 WeakPolarHBondContact ND1-CB 3.31Å; H106-S183 PolarHBondContact ND1-OG 2.85Å; H106-S183 VanDerWaalsContact ND1-OG 3.08Å; G181-S183 PolarHBondContact O-N 3.05Å; S183-R185 PolarHBondContact O-N 3.06Å; S183-R185 PolarHBondContact OG-N 2.64Å; S183-F186 PolarHBondContact O-N 3.49Å; S183-F186 VanDerWaalsContact O-N 3.17Å; S183-F186 WeakPolarHBondContact OG-CD2 3.17Å; S183-D187 WeakPolarHBondContact CA-OD2 3.4Å; S183-D187 PolarHBondContact N-OD2 3.22Å; S183-D187 WeakPolarHBondContact O-CB 3.46Å; S183-D187 PolarHBondContact O-N 3.43Å
184	A	96.8	Very high	96.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-25.1	171.9	0	0	0	0	0	112.7	C108 V121 T123 C188 F325	C108-A184 WeakPolarHBondContact CA-O 3.47Å; C108-A184 HydrophobicContact CB-CB 4.24Å; C108-A184 VanDerWaalsContact CB-O 3.3Å; C108-A184 WeakPolarHBondContact CB-O 3.5Å; V121-A184 HydrophobicContact CG1-CB 4.11Å; T123-A184 HydrophobicContact CG2-CB 3.82Å; T123-A184 PolarHBondContact OG1-N 3.18Å; T123-A184 VanDerWaalsContact OG1-N 3.15Å; A184-C188 WeakPolarHBondContact O-CB 3.32Å; A184-F325 HydrophobicContact CB-CE1 4.5Å; A184-F325 HydrophobicContact CB-CZ 4.29Å; A184-F325 WeakPolarHBondContact O-CE1 3.28Å; A184-F325 WeakPolarHBondContact O-CZ 3.49Å
185	R	95.2	Very high	96.6	Very high	155 Å²	155	44.6 Å²	44.6	59%	0.585	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-53	178.6	-176.9	177.7	177.9	172.4	-1.9	112.2	R107 S183 R191	R107-R185 WeakPolarHBondContact O-CB 3.28Å; S183-R185 PolarHBondContact O-N 3.06Å; S183-R185 PolarHBondContact OG-N 2.64Å; R185-R191 PolarHBondContact O-NH2 3.15Å
186	F	95.1	Very high	96.6	Very high	144 Å²	144	47.6 Å²	47.6	63%	0.632	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-31.1	-167.1	-59.4	-63	0	0	0	113	S183	S183-F186 PolarHBondContact O-N 3.49Å; S183-F186 VanDerWaalsContact O-N 3.17Å; S183-F186 WeakPolarHBondContact OG-CD2 3.17Å
187	D	97.5	Very high	96.4	Very high	60 Å²	60	47.7 Å²	47.7	32%	0.321	23%	0.229	S	C	.	.	S	Bend	trans	-92.1	-0.1	-176.6	-58.4	-67.3	0	0	0	113.7	F182 S183 Q189	F182-D187 HydrophobicContact CD2-CB 3.97Å; F182-D187 HydrophobicContact CE2-CB 3.63Å; F182-D187 HydrophobicContact CZ-CB 4.08Å; S183-D187 WeakPolarHBondContact CA-OD2 3.4Å; S183-D187 PolarHBondContact N-OD2 3.22Å; S183-D187 WeakPolarHBondContact O-CB 3.46Å; S183-D187 PolarHBondContact O-N 3.43Å; D187-Q189 PolarHBondContact O-N 2.75Å; D187-Q189 PolarHBondContact O-NE2 3.32Å
188	C	97.8	Very high	96.2	Very high	9 Å²	9	49.6 Å²	49.6	6%	0.061	24%	0.241	C	C	.	.			trans	-73.8	120.9	174.9	-176.4	0	0	0	0	110.3	C108 A184 S190 R191 H324 F325	C108-C188 PolarHBondContact SG-SG 3.01Å; A184-C188 WeakPolarHBondContact O-CB 3.32Å; C188-S190 PolarHBondContact SG-O 3.04Å; C188-S190 VanDerWaalsContact SG-O 3.33Å; C188-R191 VanDerWaalsContact CB-NH2 3.25Å; C188-R191 PolarHBondContact O-NH1 2.8Å; C188-R191 PolarHBondContact SG-NE 3.04Å; C188-R191 VanDerWaalsContact SG-NE 3.38Å; C188-H324 PolarHBondContact SG-O 3.46Å; C188-F325 HydrophobicContact CB-CD1 3.99Å; C188-F325 HydrophobicContact CB-CE1 3.3Å; C188-F325 HydrophobicContact CB-CE2 4.35Å; C188-F325 HydrophobicContact CB-CZ 3.51Å
189	Q	97.9	Very high	95.9	Very high	89 Å²	89	52.2 Å²	52.2	42%	0.416	25%	0.25	S	C	.	.			trans	-78.2	-39.6	-175.2	-59.3	-54.3	-44.3	0	0	112.4	D187 L268 H324	D187-Q189 PolarHBondContact O-N 2.75Å; D187-Q189 PolarHBondContact O-NE2 3.32Å; Q189-L268 WeakPolarHBondContact O-CD2 3.27Å; Q189-H324 PolarHBondContact N-O 3.38Å
190	S	98.3	Very high	95.5	Very high	5 Å²	5	46.9 Å²	46.9	4%	0.035	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	158.7	176.5	58.4	0	0	0	0	112.1	C188 K266 G267 H324	C188-S190 PolarHBondContact SG-O 3.04Å; C188-S190 VanDerWaalsContact SG-O 3.33Å; S190-K266 WeakPolarHBondContact OG-CE 3.12Å; S190-G267 CarbonylContact C-O 3.49Å; S190-G267 WeakPolarHBondContact CA-O 3.44Å; S190-G267 WeakPolarHBondContact CB-O 3.28Å; S190-H324 PolarHBondContact O-N 2.99Å; S190-H324 WeakPolarHBondContact OG-CB 3.26Å
191	R	98.6	Very high	95.5	Very high	29 Å²	29	44.8 Å²	44.8	11%	0.109	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	139.3	173.6	-63.6	82.7	166.4	158.5	4.3	109.2	C108 R185 C188 Y193 K266 G267 L268 F270 L320 D322	C108-R191 PolarHBondContact SG-NE 2.81Å; R185-R191 PolarHBondContact O-NH2 3.15Å; C188-R191 VanDerWaalsContact CB-NH2 3.25Å; C188-R191 PolarHBondContact O-NH1 2.8Å; C188-R191 PolarHBondContact SG-NE 3.04Å; C188-R191 VanDerWaalsContact SG-NE 3.38Å; R191-Y193 HydrophobicContact CB-CE2 4.14Å; R191-K266 WeakPolarHBondContact O-CA 3.46Å; R191-G267 PolarHBondContact N-O 2.82Å; R191-G267 PolarHBondContact O-N 2.83Å; R191-L268 WeakPolarHBondContact CD-O 3.22Å; R191-L268 PolarHBondContact NH1-O 2.95Å; R191-F270 HydrophobicContact CB-CD2 4.36Å; R191-F270 HydrophobicContact CB-CE2 4.03Å; R191-F270 WeakPolarHBondContact O-CE2 3.48Å; R191-L320 HydrophobicContact CB-CD1 4.16Å; R191-L320 HydrophobicContact CG-CD1 4.43Å; R191-D322 CarbonylContact C-O 3.55Å; R191-D322 WeakPolarHBondContact CA-O 3.39Å
192	T	98.8	Very high	95.5	Very high	15 Å²	15	42.6 Å²	42.6	9%	0.092	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	125.2	172.6	-63.1	0	0	0	0	109.4	E264 I265 K266 Y321 D322	T192-E264 HydrophobicContact CG2-CG 3.81Å; T192-I265 CarbonylContact C-O 3.51Å; T192-I265 WeakPolarHBondContact CA-O 3.37Å; T192-K266 WeakPolarHBondContact OG1-CG 3.46Å; T192-Y321 WeakPolarHBondContact O-CA 3.18Å; T192-Y321 WeakPolarHBondContact O-CB 3.17Å; T192-Y321 PolarHBondContact O-N 3.07Å; T192-D322 PolarHBondContact N-O 3.06Å; T192-D322 PolarHBondContact O-N 3.34Å; T192-D322 VanDerWaalsContact O-N 3.15Å
193	Y	98.8	Very high	95.4	Very high	24 Å²	24	43.2 Å²	43.2	9%	0.094	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	147.5	170.8	-74.8	-94.1	0	0	0	110.5	R191 E264 I265 F270 V275 L318 V319 L320	R191-Y193 HydrophobicContact CB-CE2 4.14Å; Y193-E264 WeakPolarHBondContact O-CA 3.5Å; Y193-I265 PolarHBondContact N-O 3.48Å; Y193-I265 PolarHBondContact O-N 3.37Å; Y193-F270 AromaticContact CD2-CD2 3.83Å; Y193-F270 HydrophobicContact CD2-CD2 3.83Å; Y193-F270 AromaticContact CD2-CE2 3.62Å; Y193-F270 HydrophobicContact CD2-CE2 3.62Å; Y193-F270 HydrophobicContact CD2-CG 4.46Å; Y193-F270 HydrophobicContact CD2-CZ 4.07Å; Y193-F270 AromaticContact CE2-CD2 3.53Å; Y193-F270 HydrophobicContact CE2-CD2 3.53Å; Y193-F270 AromaticContact CE2-CE2 3.77Å; Y193-F270 HydrophobicContact CE2-CE2 3.77Å; Y193-F270 HydrophobicContact CE2-CG 4.21Å; Y193-V275 HydrophobicContact CD2-CG2 4.22Å; Y193-V275 HydrophobicContact CG-CG2 4.21Å; Y193-L318 HydrophobicContact CD1-CD1 3.76Å; Y193-L318 HydrophobicContact CD1-CD2 4.39Å; Y193-L318 HydrophobicContact CD1-CG 4.06Å; Y193-L318 HydrophobicContact CG-CD1 4.28Å; Y193-V319 VanDerWaalsContact CA-O 3.3Å; Y193-V319 WeakPolarHBondContact CA-O 3.17Å; Y193-L320 HydrophobicContact CD1-CB 4.18Å; Y193-L320 HydrophobicContact CD2-CD1 4.37Å; Y193-L320 HydrophobicContact CE1-CB 3.69Å; Y193-L320 HydrophobicContact CE1-CD1 4.04Å; Y193-L320 HydrophobicContact CE1-CG 4.42Å; Y193-L320 HydrophobicContact CE2-CD1 3.87Å
194	R	98.7	Very high	95.3	Very high	43 Å²	43	43.5 Å²	43.5	16%	0.162	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	132.7	169.6	-73.5	-175.8	176.1	168.3	2.6	109.6	Y196 V262 F263 E264 L318 V319 Y321	R194-Y196 HydrophobicContact CB-CE2 3.87Å; R194-Y196 WeakPolarHBondContact CD-OH 3.31Å; R194-V262 HydrophobicContact CB-CG2 3.74Å; R194-V262 HydrophobicContact CG-CG2 3.82Å; R194-F263 CarbonylContact C-O 3.59Å; R194-F263 WeakPolarHBondContact CA-O 3.16Å; R194-E264 HydrophobicContact CG-CB 4.32Å; R194-E264 HydrophobicContact CG-CG 4.05Å; R194-E264 IonicContact CZ-OE2 3.62Å; R194-E264 IonicContact NE-OE2 3.44Å; R194-E264 PolarHBondContact NE-OE2 2.96Å; R194-E264 IonicContact NH2-OE2 2.77Å; R194-E264 PolarHBondContact NH2-OE2 2.95Å; R194-L318 CarbonylContact O-C 3.46Å; R194-L318 WeakPolarHBondContact O-CA 3.48Å; R194-V319 PolarHBondContact N-O 2.86Å; R194-V319 PolarHBondContact O-N 3.29Å; R194-Y321 HydrophobicContact CG-CD2 4.32Å; R194-Y321 HydrophobicContact CG-CG 4.11Å; R194-Y321 VanDerWaalsContact CZ-CE1 3.45Å; R194-Y321 VanDerWaalsContact CZ-CZ 3.47Å; R194-Y321 PolarHBondContact NH1-OH 2.8Å
195	Y	98.6	Very high	95.3	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	115.4	171.5	-166.8	-73.9	0	0	0	108.9	F197 V262 F263 M279 A313 V314 P317 L318 L380	Y195-F197 HydrophobicContact CD1-CB 4.47Å; Y195-F197 HydrophobicContact CD1-CD1 4.44Å; Y195-F197 HydrophobicContact CE1-CB 4.39Å; Y195-V262 WeakPolarHBondContact O-CA 3.41Å; Y195-F263 PolarHBondContact N-O 2.82Å; Y195-F263 PolarHBondContact O-N 3.23Å; Y195-M279 HydrophobicContact CD1-CE 3.98Å; Y195-M279 HydrophobicContact CD1-CG 3.69Å; Y195-M279 HydrophobicContact CD1-SD 3.94Å; Y195-M279 HydrophobicContact CD2-CB 4.39Å; Y195-M279 HydrophobicContact CD2-CG 4.11Å; Y195-M279 HydrophobicContact CE1-CE 4.19Å; Y195-M279 HydrophobicContact CE1-CG 3.8Å; Y195-M279 HydrophobicContact CE1-SD 4.46Å; Y195-M279 HydrophobicContact CE2-CG 4.19Å; Y195-M279 HydrophobicContact CG-CB 4.47Å; Y195-M279 HydrophobicContact CG-CG 3.86Å; Y195-M279 HydrophobicContact CG-SD 4.26Å; Y195-A313 HydrophobicContact CE2-CB 3.97Å; Y195-V314 VanDerWaalsContact CE2-O 3.25Å; Y195-V314 WeakPolarHBondContact CE2-O 3.22Å; Y195-V314 VanDerWaalsContact OH-CG2 3.27Å; Y195-V314 WeakPolarHBondContact OH-CG2 3.45Å; Y195-V314 PolarHBondContact OH-N 3.28Å; Y195-V314 PolarHBondContact OH-O 3.43Å; Y195-V314 VanDerWaalsContact OH-O 3.07Å; Y195-P317 WeakPolarHBondContact CA-O 3.43Å; Y195-P317 HydrophobicContact CD1-CB 4.15Å; Y195-P317 HydrophobicContact CE1-CB 3.8Å; Y195-P317 HydrophobicContact CE1-CG 3.94Å; Y195-P317 HydrophobicContact CE2-CB 4.26Å; Y195-P317 HydrophobicContact CE2-CG 4.29Å; Y195-L318 HydrophobicContact CD2-CB 3.88Å; Y195-L318 HydrophobicContact CD2-CD1 4.14Å; Y195-L318 HydrophobicContact CE2-CB 4.29Å; Y195-L380 HydrophobicContact CE1-CD1 4.42Å
196	Y	97.1	Very high	95.4	Very high	71 Å²	71	45.7 Å²	45.7	28%	0.278	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	137.4	-178.2	-61.2	-86.6	0	0	0	111	R194 L247 V262 P317 V319	R194-Y196 HydrophobicContact CB-CE2 3.87Å; R194-Y196 WeakPolarHBondContact CD-OH 3.31Å; Y196-L247 HydrophobicContact CD1-CD1 3.83Å; Y196-L247 HydrophobicContact CD1-CD2 3.83Å; Y196-L247 HydrophobicContact CD1-CG 4.34Å; Y196-L247 HydrophobicContact CE1-CD1 4.16Å; Y196-L247 HydrophobicContact CE1-CD2 3.66Å; Y196-V262 HydrophobicContact CD1-CB 4.31Å; Y196-V262 HydrophobicContact CD1-CG2 4.33Å; Y196-V262 HydrophobicContact CE1-CB 4.44Å; Y196-V262 HydrophobicContact CE1-CG2 4.26Å; Y196-P317 WeakPolarHBondContact CD2-O 3.41Å; Y196-P317 PolarHBondContact N-O 2.92Å; Y196-P317 VanDerWaalsContact N-O 3.11Å; Y196-P317 WeakPolarHBondContact O-CB 3.43Å; Y196-V319 HydrophobicContact CD2-CG2 4.06Å; Y196-V319 HydrophobicContact CE2-CB 4.34Å; Y196-V319 HydrophobicContact CE2-CG2 3.7Å
197	F	95	Very high	95.6	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.009	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	148.8	179.3	65.3	-80.8	0	0	0	111.9	Y195 L202 V204 M207 V244 F261 F263 M279 L380	Y195-F197 HydrophobicContact CD1-CB 4.47Å; Y195-F197 HydrophobicContact CD1-CD1 4.44Å; Y195-F197 HydrophobicContact CE1-CB 4.39Å; F197-L202 HydrophobicContact CD2-CD1 3.83Å; F197-L202 HydrophobicContact CE2-CD1 3.95Å; F197-V204 HydrophobicContact CE2-CG1 4.36Å; F197-M207 HydrophobicContact CE1-CE 4.49Å; F197-M207 HydrophobicContact CE2-CE 3.8Å; F197-M207 HydrophobicContact CE2-SD 4.2Å; F197-M207 HydrophobicContact CZ-CE 3.72Å; F197-M207 HydrophobicContact CZ-SD 4.43Å; F197-V244 HydrophobicContact CE1-CG1 4.28Å; F197-V244 HydrophobicContact CZ-CG1 3.7Å; F197-F261 HydrophobicContact CD1-CB 4.2Å; F197-F261 HydrophobicContact CD2-CB 4.21Å; F197-F261 HydrophobicContact CE1-CB 3.71Å; F197-F261 HydrophobicContact CE2-CB 3.72Å; F197-F261 HydrophobicContact CE2-CG 4.43Å; F197-F261 HydrophobicContact CG-CB 4.44Å; F197-F261 HydrophobicContact CZ-CB 3.45Å; F197-F261 VanDerWaalsContact CZ-CB 3.45Å; F197-F261 HydrophobicContact CZ-CG 4.35Å; F197-F261 PolarHBondContact N-O 3.2Å; F197-F261 PolarHBondContact O-N 3.1Å; F197-F263 HydrophobicContact CE1-CB 4.19Å; F197-M279 HydrophobicContact CB-CE 4.29Å; F197-M279 HydrophobicContact CD1-CE 3.52Å; F197-M279 HydrophobicContact CD2-CE 4.18Å; F197-M279 HydrophobicContact CE1-CE 3.76Å; F197-M279 HydrophobicContact CE2-CE 4.38Å; F197-M279 HydrophobicContact CG-CE 3.75Å; F197-M279 HydrophobicContact CZ-CE 4.18Å; F197-L380 HydrophobicContact CB-CD1 3.41Å; F197-L380 VanDerWaalsContact CB-CD1 3.41Å
198	P	92.1	Very high	95.6	Very high	54 Å²	54	37.4 Å²	37.4	35%	0.351	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	148.7	170.4	32.8	-31.2	0	0	0	110.5	G200 D259 L260	P198-G200 PolarHBondContact O-N 2.61Å; P198-D259 CarbonylContact C-O 3.51Å; P198-D259 WeakPolarHBondContact CA-O 3.31Å; P198-L260 HydrophobicContact CB-CD2 4.2Å
199	R	90.5	Very high	95.6	Very high	56 Å²	56	41.1 Å²	41.1	21%	0.211	22%	0.216	C	C	.	.			trans	-54.9	-49.5	176	-176.6	-177.3	175.6	91.3	0.8	111.3	S201 L202 V204 D259 F261	R199-S201 PolarHBondContact O-N 3.33Å; R199-L202 WeakPolarHBondContact O-CB 3.35Å; R199-L202 VanDerWaalsContact O-CG 3.28Å; R199-L202 WeakPolarHBondContact O-CG 3.35Å; R199-L202 PolarHBondContact O-N 2.99Å; R199-V204 HydrophobicContact CG-CG1 4.12Å; R199-D259 HydrophobicContact CB-CB 4.26Å; R199-D259 WeakPolarHBondContact CB-O 3.17Å; R199-D259 PolarHBondContact N-O 3.29Å; R199-F261 HydrophobicContact CB-CD2 3.95Å; R199-F261 HydrophobicContact CB-CE2 3.8Å; R199-F261 HydrophobicContact CG-CE2 4.1Å
200	G	87.8	Confident	95.6	Very high	25 Å²	25	36.9 Å²	36.9	26%	0.258	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	-125.9	-175	0	0	0	0	0	111.5	P198 R257	P198-G200 PolarHBondContact O-N 2.61Å; G200-R257 WeakPolarHBondContact CA-O 3.22Å; G200-R257 PolarHBondContact N-O 3.3Å
201	S	86.6	Confident	95.7	Very high	73 Å²	73	36.7 Å²	36.7	51%	0.51	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	18.3	172.8	62.2	0	0	0	0	113.4	R199	R199-S201 PolarHBondContact O-N 3.33Å
202	L	91.8	Very high	95.7	Very high	9 Å²	9	40.2 Å²	40.2	5%	0.047	21%	0.211	C	C	.	.			trans	-79	138	-176.2	-58.8	169.4	0	0	0	111	F197 R199 V204 M207 L283 G286 Q287	F197-L202 HydrophobicContact CD2-CD1 3.83Å; F197-L202 HydrophobicContact CE2-CD1 3.95Å; R199-L202 WeakPolarHBondContact O-CB 3.35Å; R199-L202 VanDerWaalsContact O-CG 3.28Å; R199-L202 WeakPolarHBondContact O-CG 3.35Å; R199-L202 PolarHBondContact O-N 2.99Å; L202-V204 HydrophobicContact CB-CG1 4.38Å; L202-V204 PolarHBondContact O-N 3.15Å; L202-V204 VanDerWaalsContact O-N 3.12Å; L202-M207 HydrophobicContact CB-SD 3.92Å; L202-M207 HydrophobicContact CD1-SD 4.11Å; L202-M207 HydrophobicContact CG-SD 4.43Å; L202-L283 HydrophobicContact CD1-CD2 3.75Å; L202-L283 HydrophobicContact CD2-CD2 4.38Å; L202-G286 CarbonylContact C-O 3.57Å; L202-G286 WeakPolarHBondContact CA-O 3.45Å; L202-Q287 HydrophobicContact CD2-CG 3.68Å
203	D	94.3	Very high	95.7	Very high	42 Å²	42	42.7 Å²	42.7	23%	0.225	22%	0.218	C	C	.	.			trans	-77.6	86.8	165.6	-163.8	-36.4	0	0	0	109.6	E205 L206 M207 G286 K288	D203-E205 VanDerWaalsContact C-N 3.27Å; D203-E205 PolarHBondContact O-N 3.15Å; D203-E205 PolarHBondContact OD1-N 2.83Å; D203-L206 HydrophobicContact CB-CB 3.97Å; D203-L206 PolarHBondContact O-N 2.86Å; D203-L206 WeakPolarHBondContact OD1-CB 3.37Å; D203-L206 PolarHBondContact OD1-N 3.02Å; D203-M207 VanDerWaalsContact O-CG 3.3Å; D203-M207 WeakPolarHBondContact O-CG 3.4Å; D203-M207 PolarHBondContact O-N 2.8Å; D203-G286 PolarHBondContact N-O 3.42Å; D203-K288 HydrophobicContact CB-CG 4.48Å; D203-K288 WeakPolarHBondContact OD2-CE 3.38Å; D203-K288 IonicContact OD2-NZ 3.9Å; D203-K288 PolarHBondContact OD2-NZ 3.09Å
204	V	95	Very high	95.6	Very high	9 Å²	9	41.5 Å²	41.5	6%	0.055	21%	0.214	C	C	.	.	H	α-helix	trans	-70.3	-22.9	-175.6	-61.3	0	0	0	0	113.4	F197 R199 L202 A208 F261	F197-V204 HydrophobicContact CE2-CG1 4.36Å; R199-V204 HydrophobicContact CG-CG1 4.12Å; L202-V204 HydrophobicContact CB-CG1 4.38Å; L202-V204 PolarHBondContact O-N 3.15Å; L202-V204 VanDerWaalsContact O-N 3.12Å; V204-A208 WeakPolarHBondContact O-CB 3.21Å; V204-A208 PolarHBondContact O-N 2.77Å; V204-F261 HydrophobicContact CB-CD1 4.11Å; V204-F261 HydrophobicContact CB-CE1 3.88Å; V204-F261 HydrophobicContact CB-CZ 4.34Å; V204-F261 HydrophobicContact CG1-CD1 4.05Å; V204-F261 HydrophobicContact CG1-CD2 4.32Å; V204-F261 HydrophobicContact CG1-CE1 4.06Å; V204-F261 HydrophobicContact CG1-CE2 4.35Å; V204-F261 HydrophobicContact CG1-CG 4.2Å; V204-F261 HydrophobicContact CG1-CZ 4.23Å; V204-F261 HydrophobicContact CG2-CD1 4.37Å; V204-F261 HydrophobicContact CG2-CE1 3.64Å; V204-F261 HydrophobicContact CG2-CZ 3.82Å
205	E	95.8	Very high	95.7	Very high	153 Å²	153	42.4 Å²	42.4	72%	0.715	22%	0.22	S	C	*	.	H	α-helix	trans	-72	-45.6	175.3	-67.8	178.4	-173	0	0	109.6	D203 M207 A208 D209	D203-E205 VanDerWaalsContact C-N 3.27Å; D203-E205 PolarHBondContact O-N 3.15Å; D203-E205 PolarHBondContact OD1-N 2.83Å; E205-M207 VanDerWaalsContact C-N 3.3Å; E205-M207 PolarHBondContact O-N 3.12Å; E205-A208 WeakPolarHBondContact O-CB 3.47Å; E205-A208 PolarHBondContact O-N 3.41Å; E205-A208 VanDerWaalsContact O-N 3.09Å; E205-D209 PolarHBondContact O-N 2.94Å
206	L	97.8	Very high	95.7	Very high	47 Å²	47	43.9 Å²	43.9	25%	0.246	24%	0.235	C	C	.	.	H	α-helix	trans	-61.4	-39.1	172.8	-167.8	67.6	0	0	0	111.9	D203 A208 A210 I285 P292	D203-L206 HydrophobicContact CB-CB 3.97Å; D203-L206 PolarHBondContact O-N 2.86Å; D203-L206 WeakPolarHBondContact OD1-CB 3.37Å; D203-L206 PolarHBondContact OD1-N 3.02Å; L206-A208 VanDerWaalsContact C-N 3.35Å; L206-A210 VanDerWaalsContact O-CB 3.26Å; L206-A210 WeakPolarHBondContact O-CB 3.32Å; L206-A210 PolarHBondContact O-N 3.3Å; L206-I285 HydrophobicContact CB-CG2 4.48Å; L206-I285 HydrophobicContact CD2-CG2 3.77Å; L206-I285 HydrophobicContact CG-CG2 3.66Å; L206-P292 HydrophobicContact CD1-CG 3.45Å; L206-P292 VanDerWaalsContact CD1-CG 3.45Å; L206-P292 HydrophobicContact CG-CG 3.96Å
207	M	98.3	Very high	95.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-63.8	-38.6	172.8	-68.5	174.1	70.7	0	0	112.4	F197 L202 D203 E205 A211 V244 M279 L282 L283	F197-M207 HydrophobicContact CE1-CE 4.49Å; F197-M207 HydrophobicContact CE2-CE 3.8Å; F197-M207 HydrophobicContact CE2-SD 4.2Å; F197-M207 HydrophobicContact CZ-CE 3.72Å; F197-M207 HydrophobicContact CZ-SD 4.43Å; L202-M207 HydrophobicContact CB-SD 3.92Å; L202-M207 HydrophobicContact CD1-SD 4.11Å; L202-M207 HydrophobicContact CG-SD 4.43Å; D203-M207 VanDerWaalsContact O-CG 3.3Å; D203-M207 WeakPolarHBondContact O-CG 3.4Å; D203-M207 PolarHBondContact O-N 2.8Å; E205-M207 VanDerWaalsContact C-N 3.3Å; E205-M207 PolarHBondContact O-N 3.12Å; M207-A211 VanDerWaalsContact O-CB 3.31Å; M207-A211 WeakPolarHBondContact O-CB 3.26Å; M207-A211 PolarHBondContact O-N 2.93Å; M207-V244 HydrophobicContact CB-CG1 4.47Å; M207-V244 HydrophobicContact CB-CG2 4.25Å; M207-M279 HydrophobicContact CE-CE 3.81Å; M207-L282 HydrophobicContact CE-CB 3.89Å; M207-L282 WeakPolarHBondContact CG-O 3.48Å; M207-L283 HydrophobicContact CE-CD2 4.39Å
208	A	98	Very high	95.9	Very high	31 Å²	31	46.5 Å²	46.5	26%	0.256	26%	0.255	S	S	.	.	H	α-helix	trans	-67.8	-42	179.4	0	0	0	0	0	111.9	V204 E205 L206 V244	V204-A208 WeakPolarHBondContact O-CB 3.21Å; V204-A208 PolarHBondContact O-N 2.77Å; E205-A208 WeakPolarHBondContact O-CB 3.47Å; E205-A208 PolarHBondContact O-N 3.41Å; E205-A208 VanDerWaalsContact O-N 3.09Å; L206-A208 VanDerWaalsContact C-N 3.35Å; A208-V244 HydrophobicContact CB-CB 4.02Å
209	D	98.1	Very high	96.2	Very high	87 Å²	87	44.9 Å²	44.9	47%	0.465	24%	0.243	S	C	.	.	H	α-helix	trans	-61	-51.6	171.8	-179.9	70.6	0	0	0	111.1	E205 A211 K212 R213	E205-D209 PolarHBondContact O-N 2.94Å; D209-A211 VanDerWaalsContact C-N 3.3Å; D209-A211 PolarHBondContact O-N 2.86Å; D209-K212 WeakPolarHBondContact O-CB 3.38Å; D209-K212 PolarHBondContact O-N 3.42Å; D209-K212 VanDerWaalsContact O-N 3.16Å; D209-R213 IonicContact OD2-NH2 2.81Å
210	A	98.6	Very high	96.6	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-59.9	-38.2	-179.9	0	0	0	0	0	113	L206 K212 R213 L282 I285 P292 I295	L206-A210 VanDerWaalsContact O-CB 3.26Å; L206-A210 WeakPolarHBondContact O-CB 3.32Å; L206-A210 PolarHBondContact O-N 3.3Å; A210-K212 PolarHBondContact O-N 2.84Å; A210-K212 VanDerWaalsContact O-N 3.16Å; A210-R213 WeakPolarHBondContact O-CB 3.44Å; A210-R213 PolarHBondContact O-N 2.9Å; A210-L282 HydrophobicContact CB-CD2 3.88Å; A210-I285 HydrophobicContact CB-CD1 3.77Å; A210-I285 HydrophobicContact CB-CG2 4.07Å; A210-P292 HydrophobicContact CB-CB 3.92Å; A210-P292 HydrophobicContact CB-CG 4.34Å; A210-I295 HydrophobicContact CB-CD1 3.9Å; A210-I295 WeakPolarHBondContact O-CD1 3.44Å
211	A	98.7	Very high	97	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-58.1	-30.8	-179.8	0	0	0	0	0	112.8	M207 D209 R213 Y214 A242 V244 F263 L282	M207-A211 VanDerWaalsContact O-CB 3.31Å; M207-A211 WeakPolarHBondContact O-CB 3.26Å; M207-A211 PolarHBondContact O-N 2.93Å; D209-A211 VanDerWaalsContact C-N 3.3Å; D209-A211 PolarHBondContact O-N 2.86Å; A211-R213 PolarHBondContact O-N 2.71Å; A211-Y214 WeakPolarHBondContact O-CB 3.3Å; A211-Y214 PolarHBondContact O-N 3.03Å; A211-A242 HydrophobicContact CB-CB 4.46Å; A211-A242 WeakPolarHBondContact O-CB 3.45Å; A211-V244 HydrophobicContact CB-CG2 4.18Å; A211-F263 HydrophobicContact CB-CE2 4.12Å; A211-L282 HydrophobicContact CB-CD1 4.25Å; A211-L282 HydrophobicContact CB-CD2 4.23Å
212	K	98.6	Very high	97.5	Very high	104 Å²	104	39.3 Å²	39.3	45%	0.452	20%	0.203	S	C	.	.	H	α-helix	trans	-64.6	-26.9	178.1	-68.5	-60.6	-174.5	179.1	0	113.8	D209 A210 Y214 E215 A242	D209-K212 WeakPolarHBondContact O-CB 3.38Å; D209-K212 PolarHBondContact O-N 3.42Å; D209-K212 VanDerWaalsContact O-N 3.16Å; A210-K212 PolarHBondContact O-N 2.84Å; A210-K212 VanDerWaalsContact O-N 3.16Å; K212-Y214 PolarHBondContact O-N 3.37Å; K212-Y214 VanDerWaalsContact O-N 3.16Å; K212-E215 VanDerWaalsContact CD-OE1 3.31Å; K212-E215 WeakPolarHBondContact CD-OE1 3.44Å; K212-E215 IonicContact NZ-OE1 2.94Å; K212-E215 PolarHBondContact NZ-OE1 2.64Å; K212-E215 IonicContact NZ-OE2 2.85Å; K212-E215 WeakPolarHBondContact O-CB 3.36Å; K212-E215 PolarHBondContact O-N 3.44Å; K212-A242 WeakPolarHBondContact CE-O 3.26Å; K212-A242 PolarHBondContact NZ-O 3.45Å
213	R	98.7	Very high	97.8	Very high	66 Å²	66	38.9 Å²	38.9	25%	0.249	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-16	177.5	-57.8	178	-174.2	-116.7	7.5	113	D209 A210 A211 P292 E293 I295 D296	D209-R213 IonicContact OD2-NH2 2.81Å; A210-R213 WeakPolarHBondContact O-CB 3.44Å; A210-R213 PolarHBondContact O-N 2.9Å; A211-R213 PolarHBondContact O-N 2.71Å; R213-P292 WeakPolarHBondContact CD-O 3.36Å; R213-E293 IonicContact CZ-OE1 2.72Å; R213-E293 IonicContact NH1-OE1 3.9Å; R213-E293 IonicContact NH2-OE1 3.88Å; R213-E293 PolarHBondContact NH2-OE1 3.47Å; R213-I295 HydrophobicContact CB-CB 4.15Å; R213-I295 HydrophobicContact CB-CD1 4.48Å; R213-I295 HydrophobicContact CB-CG2 3.69Å; R213-D296 IonicContact CZ-OD2 3.17Å; R213-D296 IonicContact NH1-OD2 3.76Å; R213-D296 PolarHBondContact NH1-OD2 3.46Å
214	Y	98.8	Very high	98	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-17.3	172.7	-65.4	-47.8	0	0	0	114.3	A211 K212 F220 L223 I239 F263 M278 L282 I295	A211-Y214 WeakPolarHBondContact O-CB 3.3Å; A211-Y214 PolarHBondContact O-N 3.03Å; K212-Y214 PolarHBondContact O-N 3.37Å; K212-Y214 VanDerWaalsContact O-N 3.16Å; Y214-F220 HydrophobicContact CD1-CE1 4.1Å; Y214-L223 HydrophobicContact CD1-CD1 4.21Å; Y214-L223 HydrophobicContact CE1-CD1 3.62Å; Y214-I239 VanDerWaalsContact O-CB 3.26Å; Y214-I239 WeakPolarHBondContact O-CB 3.5Å; Y214-I239 WeakPolarHBondContact O-CG1 3.34Å; Y214-F263 HydrophobicContact CD2-CZ 4.43Å; Y214-M278 VanDerWaalsContact CB-CE 3.45Å; Y214-M278 HydrophobicContact CD1-CE 3.54Å; Y214-M278 HydrophobicContact CD2-CB 4.48Å; Y214-M278 HydrophobicContact CD2-CE 3.36Å; Y214-M278 HydrophobicContact CE1-CB 4.43Å; Y214-M278 HydrophobicContact CE1-CE 4.05Å; Y214-M278 HydrophobicContact CE1-CG 4.16Å; Y214-M278 HydrophobicContact CE2-CB 3.83Å; Y214-M278 HydrophobicContact CE2-CE 3.88Å; Y214-M278 HydrophobicContact CE2-CG 4.32Å; Y214-M278 HydrophobicContact CG-CE 3.17Å; Y214-M278 WeakPolarHBondContact OH-CA 3.32Å; Y214-M278 PolarHBondContact OH-O 3.28Å; Y214-M278 VanDerWaalsContact OH-O 3.13Å; Y214-L282 HydrophobicContact CE2-CD1 4.1Å; Y214-L282 HydrophobicContact CE2-CD2 4.1Å; Y214-L282 HydrophobicContact CE2-CG 3.96Å; Y214-I295 HydrophobicContact CD1-CD1 4.45Å; Y214-I295 HydrophobicContact CD1-CG2 3.52Å; Y214-I295 HydrophobicContact CD2-CD1 4.46Å; Y214-I295 HydrophobicContact CE1-CB 4.2Å; Y214-I295 HydrophobicContact CE1-CD1 3.86Å; Y214-I295 HydrophobicContact CE1-CG1 3.82Å; Y214-I295 HydrophobicContact CE1-CG2 3.4Å; Y214-I295 HydrophobicContact CE2-CD1 3.88Å; Y214-I295 HydrophobicContact CG-CG2 4.41Å
215	E	98.8	Very high	97.9	Very high	61 Å²	61	41.6 Å²	41.6	29%	0.285	21%	0.21	S	C	.	.			trans	-68.2	144.6	-177.9	-62.6	-176.8	173.4	0	0	111	K212 H218 S241 A242	K212-E215 VanDerWaalsContact CD-OE1 3.31Å; K212-E215 WeakPolarHBondContact CD-OE1 3.44Å; K212-E215 IonicContact NZ-OE1 2.94Å; K212-E215 PolarHBondContact NZ-OE1 2.64Å; K212-E215 IonicContact NZ-OE2 2.85Å; K212-E215 WeakPolarHBondContact O-CB 3.36Å; K212-E215 PolarHBondContact O-N 3.44Å; E215-H218 PolarHBondContact O-NE2 3.4Å; E215-S241 WeakPolarHBondContact OE1-CA 3.4Å; E215-A242 HydrophobicContact CG-CB 4.12Å; E215-A242 PolarHBondContact OE1-N 2.75Å
216	G	98.7	Very high	97.7	Very high	32 Å²	32	34.9 Å²	34.9	33%	0.33	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	104.2	-169.8	-175.1	0	0	0	0	0	113.7	T238 I239	G216-T238 WeakPolarHBondContact O-CA 3.41Å; G216-I239 PolarHBondContact N-O 3.43Å; G216-I239 PolarHBondContact O-N 3.22Å
217	T	98.7	Very high	97.2	Very high	71 Å²	71	34.7 Å²	34.7	44%	0.436	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	116.8	-178.8	-62	0	0	0	0	109.3	E236 R237 T238	T217-E236 HydrophobicContact CG2-CG 3.37Å; T217-E236 VanDerWaalsContact CG2-OE1 3.26Å; T217-E236 WeakPolarHBondContact CG2-OE1 3.4Å; T217-R237 WeakPolarHBondContact CA-O 3.49Å; T217-T238 WeakPolarHBondContact OG1-CG2 3.34Å; T217-T238 PolarHBondContact OG1-OG1 3.32Å
218	H	98.4	Very high	96.8	Very high	56 Å²	56	34.7 Å²	34.7	26%	0.259	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	161.5	-175.5	-53	-82	0	0	0	111.5	E215 F220 E236 R237 L299	E215-H218 PolarHBondContact O-NE2 3.4Å; H218-F220 HydrophobicContact CB-CD2 4.21Å; H218-F220 HydrophobicContact CB-CE2 3.73Å; H218-F220 HydrophobicContact CB-CZ 4.18Å; H218-F220 WeakPolarHBondContact O-CD2 3.29Å; H218-F220 PolarHBondContact O-N 3Å; H218-E236 CarbonylContact O-C 3.48Å; H218-E236 VanDerWaalsContact O-CA 3.24Å; H218-E236 WeakPolarHBondContact O-CA 3.48Å; H218-R237 PolarHBondContact N-O 2.92Å; H218-R237 VanDerWaalsContact N-O 3.09Å; H218-R237 PolarHBondContact O-N 3.4Å; H218-L299 HydrophobicContact CB-CB 4.44Å; H218-L299 HydrophobicContact CB-CD1 4.28Å; H218-L299 HydrophobicContact CB-CD2 3.78Å; H218-L299 HydrophobicContact CB-CG 4.38Å
219	D	98.3	Very high	96.1	Very high	21 Å²	21	34.1 Å²	34.1	11%	0.112	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	112.4	168.3	-170	-45.1	0	0	0	111.1	R221 F235 V301	D219-R221 VanDerWaalsContact CG-NE 3.25Å; D219-R221 WeakPolarHBondContact OD1-CB 3.5Å; D219-R221 WeakPolarHBondContact OD1-CG 3.34Å; D219-R221 PolarHBondContact OD1-N 3.14Å; D219-R221 IonicContact OD1-NE 3.73Å; D219-R221 PolarHBondContact OD1-NE 2.97Å; D219-R221 IonicContact OD2-CZ 2.64Å; D219-R221 IonicContact OD2-NE 2.75Å; D219-R221 PolarHBondContact OD2-NE 2.88Å; D219-R221 IonicContact OD2-NH2 3.92Å; D219-R221 PolarHBondContact OD2-NH2 3.02Å; D219-F235 WeakPolarHBondContact OD1-CB 3.28Å; D219-V301 HydrophobicContact CB-CG1 3.88Å; D219-V301 HydrophobicContact CB-CG2 4.12Å
220	F	98.3	Very high	95.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.183	C	C	.	.			trans	-95.6	20.7	-176.9	-73.8	-93.1	0	0	0	113.5	Y214 H218 N222 L223 C224 F235 R237 I239 L271 Q274 M278 L299	Y214-F220 HydrophobicContact CD1-CE1 4.1Å; H218-F220 HydrophobicContact CB-CD2 4.21Å; H218-F220 HydrophobicContact CB-CE2 3.73Å; H218-F220 HydrophobicContact CB-CZ 4.18Å; H218-F220 WeakPolarHBondContact O-CD2 3.29Å; H218-F220 PolarHBondContact O-N 3Å; F220-N222 PolarHBondContact O-N 3.31Å; F220-L223 HydrophobicContact CB-CB 4.39Å; F220-L223 HydrophobicContact CD1-CB 3.98Å; F220-L223 HydrophobicContact CD1-CD1 3.72Å; F220-L223 HydrophobicContact CE1-CD1 4.09Å; F220-L223 CarbonylContact O-C 3.51Å; F220-L223 VanDerWaalsContact O-C 3.28Å; F220-L223 WeakPolarHBondContact O-CA 3.31Å; F220-L223 PolarHBondContact O-N 3.23Å; F220-C224 PolarHBondContact O-N 3.48Å; F220-C224 PolarHBondContact O-SG 3.41Å; F220-F235 PolarHBondContact N-O 2.94Å; F220-R237 HydrophobicContact CD2-CB 3.85Å; F220-R237 HydrophobicContact CE2-CB 4.17Å; F220-R237 WeakPolarHBondContact CE2-O 3.32Å; F220-I239 HydrophobicContact CE1-CG1 4.41Å; F220-I239 HydrophobicContact CE2-CG1 4.1Å; F220-I239 HydrophobicContact CZ-CD1 4.48Å; F220-I239 HydrophobicContact CZ-CG1 3.64Å; F220-L271 HydrophobicContact CB-CD1 3.78Å; F220-Q274 HydrophobicContact CB-CG 4.35Å; F220-Q274 HydrophobicContact CD1-CG 4.33Å; F220-Q274 VanDerWaalsContact CD1-NE2 3.26Å; F220-Q274 HydrophobicContact CG-CG 4.5Å; F220-M278 HydrophobicContact CD1-SD 4.42Å; F220-M278 HydrophobicContact CE1-CE 3.88Å; F220-M278 HydrophobicContact CE1-SD 4.2Å; F220-L299 HydrophobicContact CD1-CD2 3.84Å; F220-L299 HydrophobicContact CE1-CD2 3.76Å; F220-L299 HydrophobicContact CG-CD2 4.27Å; F220-L299 HydrophobicContact CZ-CD2 4.11Å
221	R	97.1	Very high	94.8	Very high	35 Å²	35	36.8 Å²	36.8	13%	0.132	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-57.6	-33.8	-179.2	69.9	-176.9	67.2	-179.1	1.6	113.3	D219 L223 M226 F235 V301	D219-R221 VanDerWaalsContact CG-NE 3.25Å; D219-R221 WeakPolarHBondContact OD1-CB 3.5Å; D219-R221 WeakPolarHBondContact OD1-CG 3.34Å; D219-R221 PolarHBondContact OD1-N 3.14Å; D219-R221 IonicContact OD1-NE 3.73Å; D219-R221 PolarHBondContact OD1-NE 2.97Å; D219-R221 IonicContact OD2-CZ 2.64Å; D219-R221 IonicContact OD2-NE 2.75Å; D219-R221 PolarHBondContact OD2-NE 2.88Å; D219-R221 IonicContact OD2-NH2 3.92Å; D219-R221 PolarHBondContact OD2-NH2 3.02Å; R221-L223 VanDerWaalsContact C-N 3.27Å; R221-L223 PolarHBondContact O-N 3.04Å; R221-M226 HydrophobicContact CB-CG 4.41Å; R221-M226 HydrophobicContact CB-SD 4.36Å; R221-F235 HydrophobicContact CB-CB 3.88Å; R221-F235 HydrophobicContact CB-CD1 4.02Å; R221-F235 HydrophobicContact CB-CD2 4.25Å; R221-F235 HydrophobicContact CB-CG 3.76Å; R221-V301 HydrophobicContact CG-CG1 3.71Å
222	N	97.8	Very high	94.3	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-79.2	-10.9	176.7	-68.7	-24.5	0	0	0	113.3	F220 L298 N304 R306 K307 Y310	F220-N222 PolarHBondContact O-N 3.31Å; N222-L298 HydrophobicContact CB-CB 4.29Å; N222-L298 HydrophobicContact CB-CD2 4.23Å; N222-L298 VanDerWaalsContact CB-O 3.29Å; N222-L298 WeakPolarHBondContact CB-O 3.41Å; N222-L298 PolarHBondContact ND2-O 3.15Å; N222-N304 PolarHBondContact ND2-O 2.83Å; N222-R306 VanDerWaalsContact OD1-C 3.22Å; N222-K307 WeakPolarHBondContact O-CE 2.98Å; N222-K307 WeakPolarHBondContact OD1-CA 3.33Å; N222-K307 PolarHBondContact OD1-N 2.61Å; N222-Y310 WeakPolarHBondContact O-CE1 3.47Å; N222-Y310 PolarHBondContact O-OH 2.73Å
223	L	98.1	Very high	93.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-119.6	25.6	-176.7	-68.2	168.2	0	0	0	112	Y214 F220 R221 Q274 C277 M278 V281 L298 L299 Y310	Y214-L223 HydrophobicContact CD1-CD1 4.21Å; Y214-L223 HydrophobicContact CE1-CD1 3.62Å; F220-L223 HydrophobicContact CB-CB 4.39Å; F220-L223 HydrophobicContact CD1-CB 3.98Å; F220-L223 HydrophobicContact CD1-CD1 3.72Å; F220-L223 HydrophobicContact CE1-CD1 4.09Å; F220-L223 CarbonylContact O-C 3.51Å; F220-L223 VanDerWaalsContact O-C 3.28Å; F220-L223 WeakPolarHBondContact O-CA 3.31Å; F220-L223 PolarHBondContact O-N 3.23Å; R221-L223 VanDerWaalsContact C-N 3.27Å; R221-L223 PolarHBondContact O-N 3.04Å; L223-Q274 VanDerWaalsContact O-CA 3.28Å; L223-Q274 WeakPolarHBondContact O-CA 3.44Å; L223-C277 VanDerWaalsContact C-CB 3.47Å; L223-C277 WeakPolarHBondContact O-CB 3.44Å; L223-M278 HydrophobicContact CB-CG 4.42Å; L223-V281 HydrophobicContact CD2-CG2 3.81Å; L223-L298 HydrophobicContact CD2-CD1 3.97Å; L223-L298 HydrophobicContact CG-CB 4.45Å; L223-L299 HydrophobicContact CD1-CD2 3.62Å; L223-L299 HydrophobicContact CD1-CG 4.27Å; L223-Y310 WeakPolarHBondContact CA-OH 3.48Å
224	C	96.8	Very high	93.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.209	C	C	.	.	S	Bend	trans	-149.2	176.9	175	72.2	0	0	0	0	111.3	F220 L271 Y272 Q274 K307	F220-C224 PolarHBondContact O-N 3.48Å; F220-C224 PolarHBondContact O-SG 3.41Å; C224-L271 HydrophobicContact CB-CB 3.71Å; C224-L271 HydrophobicContact CB-CD1 4.13Å; C224-Y272 WeakPolarHBondContact CB-O 3.4Å; C224-Q274 HydrophobicContact CB-CB 4.26Å; C224-K307 WeakPolarHBondContact O-CD 3.47Å; C224-K307 PolarHBondContact O-NZ 3.33Å
225	K	93.5	Very high	93.6	Very high	108 Å²	108	38 Å²	38	47%	0.47	21%	0.209	S	C	.	.			trans	-91.8	109.6	164.2	-176.8	169.4	177.1	176	0	108.4	D227 Y272 H273	K225-D227 PolarHBondContact O-N 2.85Å; K225-Y272 HydrophobicContact CB-CD1 4.01Å; K225-Y272 HydrophobicContact CD-CD1 4.06Å; K225-Y272 HydrophobicContact CD-CE1 3.74Å; K225-Y272 HydrophobicContact CG-CD1 4.12Å; K225-Y272 HydrophobicContact CG-CE1 4.3Å; K225-Y272 PolarHBondContact N-O 3.19Å; K225-H273 HydrophobicContact CB-CB 4.2Å
226	M	91.9	Very high	93.6	Very high	12 Å²	12	39.8 Å²	39.8	6%	0.059	22%	0.218	C	C	.	.			trans	-61.1	113	178.9	-68.8	-175.3	-80.4	0	0	111.2	R221 V228 F235 L401 R404	R221-M226 HydrophobicContact CB-CG 4.41Å; R221-M226 HydrophobicContact CB-SD 4.36Å; M226-V228 HydrophobicContact CB-CG2 4.43Å; M226-F235 HydrophobicContact CB-CE1 3.99Å; M226-F235 HydrophobicContact CB-CZ 4.01Å; M226-F235 HydrophobicContact CG-CD1 4.38Å; M226-F235 HydrophobicContact CG-CE1 3.69Å; M226-F235 HydrophobicContact CG-CZ 3.86Å; M226-F235 HydrophobicContact SD-CZ 4.5Å; M226-L401 HydrophobicContact SD-CB 4.34Å; M226-L401 HydrophobicContact SD-CD1 4.26Å; M226-R404 PolarHBondContact O-NH1 3.27Å; M226-R404 VanDerWaalsContact O-NH1 3.1Å
227	D	88	Confident	93.5	Very high	43 Å²	43	40.7 Å²	40.7	23%	0.23	21%	0.211	C	C	.	.			trans	-104.8	47.4	-173.7	-162.9	19.2	0	0	0	112.3	K225 G229 N230 V232 Y272	K225-D227 PolarHBondContact O-N 2.85Å; D227-G229 PolarHBondContact O-N 3Å; D227-N230 PolarHBondContact O-N 2.93Å; D227-N230 PolarHBondContact OD1-ND2 3Å; D227-N230 WeakPolarHBondContact OD2-CB 3.47Å; D227-N230 PolarHBondContact OD2-ND2 2.88Å; D227-V232 HydrophobicContact CB-CG2 4.29Å; D227-V232 PolarHBondContact O-N 2.87Å; D227-Y272 HydrophobicContact CB-CD1 4.21Å
228	V	88.1	Confident	93.5	Very high	1 Å²	1	39 Å²	39	1%	0.006	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-57.8	-31.3	-178.1	179.4	0	0	0	0	111.7	M226 N230 G231 V232 L233 F235 L401 R404 I405 F408 L414	M226-V228 HydrophobicContact CB-CG2 4.43Å; V228-N230 PolarHBondContact O-N 2.94Å; V228-G231 PolarHBondContact O-N 3.35Å; V228-V232 WeakPolarHBondContact CA-O 3.37Å; V228-L233 HydrophobicContact CG1-CD2 4.11Å; V228-F235 HydrophobicContact CG2-CZ 4.3Å; V228-L401 HydrophobicContact CG2-CD1 3.74Å; V228-R404 HydrophobicContact CB-CB 4.46Å; V228-R404 HydrophobicContact CG2-CB 4.12Å; V228-I405 HydrophobicContact CG1-CG1 3.96Å; V228-F408 HydrophobicContact CB-CD2 3.89Å; V228-F408 HydrophobicContact CB-CE2 4.15Å; V228-F408 HydrophobicContact CG1-CB 4.44Å; V228-F408 HydrophobicContact CG1-CD2 3.69Å; V228-F408 HydrophobicContact CG1-CE2 4.45Å; V228-F408 HydrophobicContact CG1-CG 4.42Å; V228-L414 HydrophobicContact CG1-CD1 3.78Å
229	G	84.9	Confident	93.6	Very high	19 Å²	19	36.5 Å²	36.5	20%	0.196	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-62.9	-22.1	177.1	0	0	0	0	0	114.3	D227	D227-G229 PolarHBondContact O-N 3Å
230	N	83.6	Confident	93.6	Very high	117 Å²	117	39.5 Å²	39.5	63%	0.626	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	-100.2	16.5	174.4	-70.8	-31.7	0	0	0	112.6	D227 V228	D227-N230 PolarHBondContact O-N 2.93Å; D227-N230 PolarHBondContact OD1-ND2 3Å; D227-N230 WeakPolarHBondContact OD2-CB 3.47Å; D227-N230 PolarHBondContact OD2-ND2 2.88Å; V228-N230 PolarHBondContact O-N 2.94Å
231	G	85.4	Confident	93.6	Very high	25 Å²	25	41.4 Å²	41.4	26%	0.258	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.9	13	176.9	0	0	0	0	0	114.8	V228 L233	V228-G231 PolarHBondContact O-N 3.35Å; G231-L233 PolarHBondContact O-N 3.24Å
232	V	88.8	Confident	93.7	Very high	41 Å²	41	39.7 Å²	39.7	25%	0.248	21%	0.212	C	C	.	.			trans	-80.8	111.4	175.9	-176	0	0	0	0	109.7	D227 V228 F235 L271	D227-V232 HydrophobicContact CB-CG2 4.29Å; D227-V232 PolarHBondContact O-N 2.87Å; V228-V232 WeakPolarHBondContact CA-O 3.37Å; V232-F235 HydrophobicContact CG1-CE1 4.08Å; V232-F235 HydrophobicContact CG1-CZ 4.18Å; V232-L271 HydrophobicContact CG1-CD2 3.93Å
233	L	90.1	Very high	93.7	Very high	44 Å²	44	41.1 Å²	41.1	23%	0.23	22%	0.222	C	C	.	.			trans	-119.1	-23.9	-178.8	-58.7	170.2	0	0	0	112.8	V228 G231 F235 I405 L414 H427	V228-L233 HydrophobicContact CG1-CD2 4.11Å; G231-L233 PolarHBondContact O-N 3.24Å; L233-F235 WeakPolarHBondContact O-CD2 3.47Å; L233-F235 WeakPolarHBondContact O-CE2 3.48Å; L233-I405 HydrophobicContact CD2-CD1 3.82Å; L233-I405 HydrophobicContact CD2-CG1 3.68Å; L233-L414 HydrophobicContact CD2-CD1 4.24Å; L233-H427 HydrophobicContact CD1-CB 3.51Å; L233-H427 WeakPolarHBondContact CD1-O 3.42Å
234	Q	93.3	Very high	93.7	Very high	109 Å²	109	41.9 Å²	41.9	51%	0.509	23%	0.227	S	C	.	.			trans	-99.9	119.6	175.9	179.1	56	-60.5	0	0	110.9	E236 R237	Q234-E236 HydrophobicContact CG-CB 4.26Å; Q234-E236 VanDerWaalsContact OE1-N 3.09Å; Q234-R237 PolarHBondContact O-NH1 3.25Å
235	F	96.8	Very high	93.7	Very high	1 Å²	1	46 Å²	46	0%	0.004	24%	0.242	C	C	.	.			trans	-106.9	-0.5	-177.3	-64.2	-84.9	0	0	0	113	D219 F220 R221 M226 V228 V232 L233 R237 L271 L401	D219-F235 WeakPolarHBondContact OD1-CB 3.28Å; F220-F235 PolarHBondContact N-O 2.94Å; R221-F235 HydrophobicContact CB-CB 3.88Å; R221-F235 HydrophobicContact CB-CD1 4.02Å; R221-F235 HydrophobicContact CB-CD2 4.25Å; R221-F235 HydrophobicContact CB-CG 3.76Å; M226-F235 HydrophobicContact CB-CE1 3.99Å; M226-F235 HydrophobicContact CB-CZ 4.01Å; M226-F235 HydrophobicContact CG-CD1 4.38Å; M226-F235 HydrophobicContact CG-CE1 3.69Å; M226-F235 HydrophobicContact CG-CZ 3.86Å; M226-F235 HydrophobicContact SD-CZ 4.5Å; V228-F235 HydrophobicContact CG2-CZ 4.3Å; V232-F235 HydrophobicContact CG1-CE1 4.08Å; V232-F235 HydrophobicContact CG1-CZ 4.18Å; L233-F235 WeakPolarHBondContact O-CD2 3.47Å; L233-F235 WeakPolarHBondContact O-CE2 3.48Å; F235-R237 PolarHBondContact O-N 2.92Å; F235-L271 HydrophobicContact CB-CD1 4.2Å; F235-L271 HydrophobicContact CD1-CD1 4Å; F235-L271 HydrophobicContact CD1-CD2 3.91Å; F235-L271 HydrophobicContact CE1-CD2 4.38Å; F235-L271 WeakPolarHBondContact O-CD1 3.48Å; F235-L401 HydrophobicContact CD2-CD1 4.35Å; F235-L401 HydrophobicContact CD2-CD2 3.89Å; F235-L401 HydrophobicContact CE2-CD1 3.43Å; F235-L401 VanDerWaalsContact CE2-CD1 3.43Å; F235-L401 HydrophobicContact CE2-CD2 3.78Å; F235-L401 HydrophobicContact CE2-CG 4.25Å; F235-L401 HydrophobicContact CZ-CD1 4.01Å
236	E	98	Very high	93.7	Very high	99 Å²	99	42.4 Å²	42.4	46%	0.463	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	128.5	171.9	-168.7	178.5	99	0	0	111.5	T217 H218 Q234	T217-E236 HydrophobicContact CG2-CG 3.37Å; T217-E236 VanDerWaalsContact CG2-OE1 3.26Å; T217-E236 WeakPolarHBondContact CG2-OE1 3.4Å; H218-E236 CarbonylContact O-C 3.48Å; H218-E236 VanDerWaalsContact O-CA 3.24Å; H218-E236 WeakPolarHBondContact O-CA 3.48Å; Q234-E236 HydrophobicContact CG-CB 4.26Å; Q234-E236 VanDerWaalsContact OE1-N 3.09Å
237	R	98.3	Very high	93.6	Very high	52 Å²	52	44.7 Å²	44.7	20%	0.196	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	151.3	173.8	-65.9	-62.3	-178.9	-83.5	2.8	110.3	T217 H218 F220 Q234 F235 A269 L271	T217-R237 WeakPolarHBondContact CA-O 3.49Å; H218-R237 PolarHBondContact N-O 2.92Å; H218-R237 VanDerWaalsContact N-O 3.09Å; H218-R237 PolarHBondContact O-N 3.4Å; F220-R237 HydrophobicContact CD2-CB 3.85Å; F220-R237 HydrophobicContact CE2-CB 4.17Å; F220-R237 WeakPolarHBondContact CE2-O 3.32Å; Q234-R237 PolarHBondContact O-NH1 3.25Å; F235-R237 PolarHBondContact O-N 2.92Å; R237-A269 WeakPolarHBondContact CD-O 3.45Å; R237-L271 HydrophobicContact CG-CD1 3.98Å; R237-L271 HydrophobicContact CG-CG 3.93Å; R237-L271 VanDerWaalsContact CZ-CD2 3.48Å
238	T	98.8	Very high	93.4	Very high	36 Å²	36	48.4 Å²	48.4	22%	0.221	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	117.7	175.9	-51.1	0	0	0	0	110.5	G216 T217 L240 G267 L268	G216-T238 WeakPolarHBondContact O-CA 3.41Å; T217-T238 WeakPolarHBondContact OG1-CG2 3.34Å; T217-T238 PolarHBondContact OG1-OG1 3.32Å; T238-L240 HydrophobicContact CG2-CD2 4.17Å; T238-G267 WeakPolarHBondContact O-CA 3.17Å; T238-L268 HydrophobicContact CG2-CD1 4.22Å; T238-L268 HydrophobicContact CG2-CG 4.45Å; T238-L268 PolarHBondContact O-N 2.88Å; T238-L268 VanDerWaalsContact O-N 3.09Å
239	I	98.9	Very high	92.7	Very high	3 Å²	3	53 Å²	53	2%	0.015	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	120.4	171.2	-55.4	-52.7	0	0	0	108	Y214 G216 F220 A242 I265 F270	Y214-I239 VanDerWaalsContact O-CB 3.26Å; Y214-I239 WeakPolarHBondContact O-CB 3.5Å; Y214-I239 WeakPolarHBondContact O-CG1 3.34Å; G216-I239 PolarHBondContact N-O 3.43Å; G216-I239 PolarHBondContact O-N 3.22Å; F220-I239 HydrophobicContact CE1-CG1 4.41Å; F220-I239 HydrophobicContact CE2-CG1 4.1Å; F220-I239 HydrophobicContact CZ-CD1 4.48Å; F220-I239 HydrophobicContact CZ-CG1 3.64Å; I239-A242 HydrophobicContact CG2-CB 4.27Å; I239-I265 HydrophobicContact CD1-CD1 3.92Å; I239-I265 HydrophobicContact CD1-CG1 4.39Å; I239-I265 HydrophobicContact CG1-CD1 4.3Å; I239-I265 HydrophobicContact CG2-CD1 3.91Å; I239-I265 HydrophobicContact CG2-CG1 3.77Å; I239-F270 HydrophobicContact CD1-CD1 4.24Å; I239-F270 HydrophobicContact CD1-CE1 3.64Å; I239-F270 HydrophobicContact CD1-CZ 4.31Å
240	L	98.8	Very high	91.8	Very high	83 Å²	83	61.4 Å²	61.4	44%	0.435	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	-36.7	-178.3	-60.1	179.4	0	0	0	111.9	T238 K266 L268	T238-L240 HydrophobicContact CG2-CD2 4.17Å; L240-K266 HydrophobicContact CB-CG 4.36Å; L240-K266 HydrophobicContact CD1-CD 4.36Å; L240-K266 HydrophobicContact CD1-CG 4.25Å; L240-K266 PolarHBondContact N-O 3.18Å; L240-L268 HydrophobicContact CD1-CD2 3.96Å; L240-L268 HydrophobicContact CD2-CD2 4.22Å; L240-L268 HydrophobicContact CD2-CG 4.49Å; L240-L268 HydrophobicContact CG-CD2 4.31Å
241	S	98.8	Very high	90.9	Very high	40 Å²	40	62.4 Å²	62.4	28%	0.28	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	147.5	173.7	64.7	0	0	0	0	111.4	E215 I265 K266	E215-S241 WeakPolarHBondContact OE1-CA 3.4Å; S241-I265 CarbonylContact O-C 3.54Å; S241-I265 WeakPolarHBondContact O-CA 3.11Å; S241-K266 PolarHBondContact N-O 3.43Å; S241-K266 VanDerWaalsContact N-O 3.15Å; S241-K266 PolarHBondContact O-N 3.43Å; S241-K266 WeakPolarHBondContact OG-CB 3.39Å
242	A	98.8	Very high	89.7	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	131.1	173.8	0	0	0	0	0	109	A211 K212 E215 I239 F263 E264 I265	A211-A242 HydrophobicContact CB-CB 4.46Å; A211-A242 WeakPolarHBondContact O-CB 3.45Å; K212-A242 WeakPolarHBondContact CE-O 3.26Å; K212-A242 PolarHBondContact NZ-O 3.45Å; E215-A242 HydrophobicContact CG-CB 4.12Å; E215-A242 PolarHBondContact OE1-N 2.75Å; I239-A242 HydrophobicContact CG2-CB 4.27Å; A242-F263 HydrophobicContact CB-CE2 4.17Å; A242-E264 WeakPolarHBondContact CA-O 3.47Å; A242-I265 HydrophobicContact CB-CG1 4.42Å
243	S	98.4	Very high	88.4	Confident	31 Å²	31	64.4 Å²	64.4	22%	0.217	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	145.6	-177.3	63.7	0	0	0	0	112.3	F263 E264	S243-F263 CarbonylContact O-C 3.28Å; S243-F263 WeakPolarHBondContact O-CA 3.37Å; S243-F263 WeakPolarHBondContact O-CD2 3.3Å; S243-E264 PolarHBondContact N-O 3.45Å; S243-E264 PolarHBondContact O-N 3.03Å
244	V	98.3	Very high	86.8	Confident	16 Å²	16	67.3 Å²	67.3	10%	0.097	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	125.2	167.5	174.5	0	0	0	0	107.7	F197 M207 A208 A211 F261 V262 F263 L282	F197-V244 HydrophobicContact CE1-CG1 4.28Å; F197-V244 HydrophobicContact CZ-CG1 3.7Å; M207-V244 HydrophobicContact CB-CG1 4.47Å; M207-V244 HydrophobicContact CB-CG2 4.25Å; A208-V244 HydrophobicContact CB-CB 4.02Å; A211-V244 HydrophobicContact CB-CG2 4.18Å; V244-F261 HydrophobicContact CG1-CD1 4.26Å; V244-V262 WeakPolarHBondContact CA-O 3.33Å; V244-F263 HydrophobicContact CG2-CB 4.23Å; V244-F263 HydrophobicContact CG2-CD2 3.92Å; V244-F263 HydrophobicContact CG2-CG 4.48Å; V244-L282 HydrophobicContact CG2-CD1 4.4Å
245	R	95.9	Very high	85.1	Confident	85 Å²	85	66.1 Å²	66.1	32%	0.321	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	152.8	-177.2	60.5	-177.1	178.6	80.4	-0.6	111.9	F261 V262 E264	R245-F261 VanDerWaalsContact C-CD1 3.46Å; R245-F261 WeakPolarHBondContact O-CA 3.33Å; R245-V262 HydrophobicContact CG-CG1 3.63Å; R245-V262 PolarHBondContact N-O 2.93Å; R245-V262 PolarHBondContact O-N 3.47Å; R245-E264 IonicContact CZ-OE2 3.66Å; R245-E264 IonicContact NH2-OE2 3.94Å; R245-E264 PolarHBondContact NH2-OE2 2.74Å
246	P	94.8	Very high	83.9	Confident	33 Å²	33	70.4 Å²	70.4	21%	0.214	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	148.3	172.2	27.2	-34.2	0	0	0	111	P249 V252 F261	P246-P249 HydrophobicContact CG-CB 4.34Å; P246-P249 HydrophobicContact CG-CG 4.28Å; P246-V252 HydrophobicContact CB-CG2 3.4Å; P246-V252 HydrophobicContact CG-CG2 3.84Å; P246-F261 HydrophobicContact CB-CD1 4.29Å; P246-F261 HydrophobicContact CB-CE1 3.9Å; P246-F261 HydrophobicContact CB-CZ 4.01Å; P246-F261 HydrophobicContact CG-CE1 4.36Å
247	L	88.8	Confident	82.9	Confident	61 Å²	61	70.6 Å²	70.6	32%	0.319	38%	0.382	S	S	.	.	S	Bend	trans	-69.9	-35.4	174.7	-73.5	-172.4	0	0	0	112.7	Y196 L260 V262	Y196-L247 HydrophobicContact CD1-CD1 3.83Å; Y196-L247 HydrophobicContact CD1-CD2 3.83Å; Y196-L247 HydrophobicContact CD1-CG 4.34Å; Y196-L247 HydrophobicContact CE1-CD1 4.16Å; Y196-L247 HydrophobicContact CE1-CD2 3.66Å; L247-L260 HydrophobicContact CB-CB 4.39Å; L247-L260 WeakPolarHBondContact CB-O 3.43Å; L247-L260 HydrophobicContact CD1-CB 3.5Å; L247-L260 HydrophobicContact CD1-CD1 4.05Å; L247-L260 HydrophobicContact CD1-CG 4.44Å; L247-L260 HydrophobicContact CG-CB 4.01Å; L247-L260 PolarHBondContact N-O 3.47Å; L247-V262 HydrophobicContact CD2-CB 3.72Å; L247-V262 HydrophobicContact CD2-CG1 3.74Å
248	Q	84.1	Confident	82.2	Confident	121 Å²	121	72.6 Å²	72.6	57%	0.565	39%	0.39	S	S	*	.	S	Bend	trans	-129	83.7	-178.4	-71.4	171.6	-23.7	0	0	109.2	Q250 Q251 V252	Q248-Q250 PolarHBondContact O-N 2.78Å; Q248-Q251 HydrophobicContact CB-CB 4.26Å; Q248-Q251 PolarHBondContact O-N 3.36Å; Q248-V252 WeakPolarHBondContact O-CG2 3.33Å
249	P	72.9	Confident	81.6	Confident	96 Å²	96	72 Å²	72	62%	0.623	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-55.7	-30.5	-173.9	-25.4	33.2	0	0	0	114.2	P246 Q251	P246-P249 HydrophobicContact CG-CB 4.34Å; P246-P249 HydrophobicContact CG-CG 4.28Å; P249-Q251 VanDerWaalsContact C-N 3.32Å; P249-Q251 PolarHBondContact O-N 2.94Å
250	Q	67.2	Low	81.3	Confident	197 Å²	197	76.3 Å²	76.3	92%	0.921	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-79	-12.7	-177	-65.4	165	-2.6	0	0	113.7	Q248	Q248-Q250 PolarHBondContact O-N 2.78Å
251	Q	63.1	Low	81.1	Confident	137 Å²	137	72.8 Å²	72.8	64%	0.64	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-115.2	6.2	-177.6	-66.5	-172.4	-38.2	0	0	112.7	Q248 P249 S253	Q248-Q251 HydrophobicContact CB-CB 4.26Å; Q248-Q251 PolarHBondContact O-N 3.36Å; P249-Q251 VanDerWaalsContact C-N 3.32Å; P249-Q251 PolarHBondContact O-N 2.94Å; Q251-S253 PolarHBondContact O-N 2.79Å
252	V	60.7	Low	81.1	Confident	55 Å²	55	71 Å²	71	33%	0.333	38%	0.376	S	S	.	.			trans	-70.8	103	178.4	-172.2	0	0	0	0	108.8	P246 Q248	P246-V252 HydrophobicContact CB-CG2 3.4Å; P246-V252 HydrophobicContact CG-CG2 3.84Å; Q248-V252 WeakPolarHBondContact O-CG2 3.33Å
253	S	61.3	Low	81.1	Confident	53 Å²	53	71 Å²	71	37%	0.371	38%	0.376	S	S	.	.			trans	-81.4	129.3	162.4	175.9	0	0	0	0	107.3	Q251 A255 E256	Q251-S253 PolarHBondContact O-N 2.79Å; S253-A255 PolarHBondContact O-N 3.07Å; S253-E256 PolarHBondContact O-N 3.19Å
254	S	56.7	Low	81.1	Confident	106 Å²	106	71.2 Å²	71.2	74%	0.741	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-17.5	-179.2	-176	0	0	0	0	113.9
255	A	57.8	Low	81.1	Confident	84 Å²	84	70.5 Å²	70.5	69%	0.694	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110	-7	-172.4	0	0	0	0	0	116.4	S253 R257	S253-A255 PolarHBondContact O-N 3.07Å; A255-R257 PolarHBondContact O-N 2.81Å
256	E	72.2	Confident	81.3	Confident	91 Å²	91	69.8 Å²	69.8	43%	0.425	37%	0.369	S	S	.	.			trans	-85.3	113	-173.2	-75.6	-160.4	-149.3	0	0	113.2	S253 Y258 D259	S253-E256 PolarHBondContact O-N 3.19Å; E256-Y258 PolarHBondContact O-N 2.88Å; E256-Y258 VanDerWaalsContact O-N 3.17Å; E256-D259 WeakPolarHBondContact CB-OD1 3.44Å; E256-D259 WeakPolarHBondContact O-CB 3.49Å; E256-D259 PolarHBondContact O-N 3.07Å
257	R	77.1	Confident	81.5	Confident	102 Å²	102	68.2 Å²	68.2	39%	0.385	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-20.8	-179	-59.4	-172.4	-132.8	151	10.8	113.6	G200 A255 E366	G200-R257 WeakPolarHBondContact CA-O 3.22Å; G200-R257 PolarHBondContact N-O 3.3Å; A255-R257 PolarHBondContact O-N 2.81Å; R257-E366 IonicContact CZ-OE1 3.78Å; R257-E366 IonicContact NH1-OE1 3.88Å; R257-E366 PolarHBondContact NH1-OE1 3.35Å; R257-E366 IonicContact NH2-OE1 3.45Å
258	Y	82.2	Confident	81.9	Confident	95 Å²	95	69 Å²	69	37%	0.373	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	0.5	-175.7	-59.6	-72.5	0	0	0	113.4	E256 L260 L359 I362	E256-Y258 PolarHBondContact O-N 2.88Å; E256-Y258 VanDerWaalsContact O-N 3.17Å; Y258-L260 PolarHBondContact O-N 2.73Å; Y258-L359 HydrophobicContact CD1-CD1 4.45Å; Y258-L359 HydrophobicContact CD2-CD1 3.67Å; Y258-L359 HydrophobicContact CE1-CD1 4.36Å; Y258-L359 HydrophobicContact CE2-CD1 3.54Å; Y258-L359 HydrophobicContact CG-CD1 4.13Å; Y258-I362 WeakPolarHBondContact OH-CG2 3.38Å
259	D	87.5	Confident	82.5	Confident	23 Å²	23	65 Å²	65	12%	0.123	35%	0.351	C	S	.	.			trans	-55.5	129.3	174.6	-78	-1.5	0	0	0	110.4	P198 R199 E256 F261	P198-D259 CarbonylContact C-O 3.51Å; P198-D259 WeakPolarHBondContact CA-O 3.31Å; R199-D259 HydrophobicContact CB-CB 4.26Å; R199-D259 WeakPolarHBondContact CB-O 3.17Å; R199-D259 PolarHBondContact N-O 3.29Å; E256-D259 WeakPolarHBondContact CB-OD1 3.44Å; E256-D259 WeakPolarHBondContact O-CB 3.49Å; E256-D259 PolarHBondContact O-N 3.07Å; D259-F261 HydrophobicContact CB-CE2 4.01Å
260	L	91.8	Very high	83.6	Confident	94 Å²	94	62.2 Å²	62.2	49%	0.492	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	133.6	-178.3	-66.3	177.7	0	0	0	111	P198 L247 Y258	P198-L260 HydrophobicContact CB-CD2 4.2Å; L247-L260 HydrophobicContact CB-CB 4.39Å; L247-L260 WeakPolarHBondContact CB-O 3.43Å; L247-L260 HydrophobicContact CD1-CB 3.5Å; L247-L260 HydrophobicContact CD1-CD1 4.05Å; L247-L260 HydrophobicContact CD1-CG 4.44Å; L247-L260 HydrophobicContact CG-CB 4.01Å; L247-L260 PolarHBondContact N-O 3.47Å; Y258-L260 PolarHBondContact O-N 2.73Å
261	F	95.6	Very high	85.1	Confident	9 Å²	9	53.6 Å²	53.6	4%	0.039	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	161.9	175.1	-76.9	-105.9	0	0	0	110.1	F197 R199 V204 V244 R245 P246 D259	F197-F261 HydrophobicContact CD1-CB 4.2Å; F197-F261 HydrophobicContact CD2-CB 4.21Å; F197-F261 HydrophobicContact CE1-CB 3.71Å; F197-F261 HydrophobicContact CE2-CB 3.72Å; F197-F261 HydrophobicContact CE2-CG 4.43Å; F197-F261 HydrophobicContact CG-CB 4.44Å; F197-F261 HydrophobicContact CZ-CB 3.45Å; F197-F261 VanDerWaalsContact CZ-CB 3.45Å; F197-F261 HydrophobicContact CZ-CG 4.35Å; F197-F261 PolarHBondContact N-O 3.2Å; F197-F261 PolarHBondContact O-N 3.1Å; R199-F261 HydrophobicContact CB-CD2 3.95Å; R199-F261 HydrophobicContact CB-CE2 3.8Å; R199-F261 HydrophobicContact CG-CE2 4.1Å; V204-F261 HydrophobicContact CB-CD1 4.11Å; V204-F261 HydrophobicContact CB-CE1 3.88Å; V204-F261 HydrophobicContact CB-CZ 4.34Å; V204-F261 HydrophobicContact CG1-CD1 4.05Å; V204-F261 HydrophobicContact CG1-CD2 4.32Å; V204-F261 HydrophobicContact CG1-CE1 4.06Å; V204-F261 HydrophobicContact CG1-CE2 4.35Å; V204-F261 HydrophobicContact CG1-CG 4.2Å; V204-F261 HydrophobicContact CG1-CZ 4.23Å; V204-F261 HydrophobicContact CG2-CD1 4.37Å; V204-F261 HydrophobicContact CG2-CE1 3.64Å; V204-F261 HydrophobicContact CG2-CZ 3.82Å; V244-F261 HydrophobicContact CG1-CD1 4.26Å; R245-F261 VanDerWaalsContact C-CD1 3.46Å; R245-F261 WeakPolarHBondContact O-CA 3.33Å; P246-F261 HydrophobicContact CB-CD1 4.29Å; P246-F261 HydrophobicContact CB-CE1 3.9Å; P246-F261 HydrophobicContact CB-CZ 4.01Å; P246-F261 HydrophobicContact CG-CE1 4.36Å; D259-F261 HydrophobicContact CB-CE2 4.01Å
262	V	98	Very high	86.6	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.006	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	130.5	172.3	60.6	0	0	0	0	109.9	R194 Y195 Y196 V244 R245 L247 E264	R194-V262 HydrophobicContact CB-CG2 3.74Å; R194-V262 HydrophobicContact CG-CG2 3.82Å; Y195-V262 WeakPolarHBondContact O-CA 3.41Å; Y196-V262 HydrophobicContact CD1-CB 4.31Å; Y196-V262 HydrophobicContact CD1-CG2 4.33Å; Y196-V262 HydrophobicContact CE1-CB 4.44Å; Y196-V262 HydrophobicContact CE1-CG2 4.26Å; V244-V262 WeakPolarHBondContact CA-O 3.33Å; R245-V262 HydrophobicContact CG-CG1 3.63Å; R245-V262 PolarHBondContact N-O 2.93Å; R245-V262 PolarHBondContact O-N 3.47Å; L247-V262 HydrophobicContact CD2-CB 3.72Å; L247-V262 HydrophobicContact CD2-CG1 3.74Å; V262-E264 HydrophobicContact CG2-CB 4.47Å
263	F	98.7	Very high	88.3	Confident	1 Å²	1	49.8 Å²	49.8	0%	0.004	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	109.7	159.3	170.9	-127.8	0	0	0	107.4	R194 Y195 F197 A211 Y214 A242 S243 V244 I265 V275 M278 M279 L282	R194-F263 CarbonylContact C-O 3.59Å; R194-F263 WeakPolarHBondContact CA-O 3.16Å; Y195-F263 PolarHBondContact N-O 2.82Å; Y195-F263 PolarHBondContact O-N 3.23Å; F197-F263 HydrophobicContact CE1-CB 4.19Å; A211-F263 HydrophobicContact CB-CE2 4.12Å; Y214-F263 HydrophobicContact CD2-CZ 4.43Å; A242-F263 HydrophobicContact CB-CE2 4.17Å; S243-F263 CarbonylContact O-C 3.28Å; S243-F263 WeakPolarHBondContact O-CA 3.37Å; S243-F263 WeakPolarHBondContact O-CD2 3.3Å; V244-F263 HydrophobicContact CG2-CB 4.23Å; V244-F263 HydrophobicContact CG2-CD2 3.92Å; V244-F263 HydrophobicContact CG2-CG 4.48Å; F263-I265 HydrophobicContact CE1-CB 4.34Å; F263-I265 HydrophobicContact CE1-CG2 4.28Å; F263-I265 HydrophobicContact CE2-CB 4.36Å; F263-I265 HydrophobicContact CZ-CB 3.96Å; F263-I265 HydrophobicContact CZ-CD1 4.01Å; F263-I265 HydrophobicContact CZ-CG1 4.48Å; F263-I265 HydrophobicContact CZ-CG2 4.39Å; F263-V275 HydrophobicContact CE1-CG1 4.28Å; F263-M278 HydrophobicContact CE1-CB 4.47Å; F263-M279 HydrophobicContact CB-SD 3.76Å; F263-M279 HydrophobicContact CD1-CB 4.35Å; F263-M279 HydrophobicContact CD1-SD 3.82Å; F263-M279 HydrophobicContact CG-SD 4.05Å; F263-L282 HydrophobicContact CD1-CD1 4.19Å; F263-L282 HydrophobicContact CD2-CD1 3.75Å; F263-L282 HydrophobicContact CE1-CD1 4.13Å; F263-L282 HydrophobicContact CE2-CD1 3.7Å; F263-L282 HydrophobicContact CG-CD1 4.01Å; F263-L282 HydrophobicContact CZ-CD1 3.88Å
264	E	98.8	Very high	90.1	Very high	36 Å²	36	47.3 Å²	47.3	17%	0.168	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	127.9	177.6	-173.8	177.6	104.9	0	0	109.2	T192 Y193 R194 A242 S243 R245 V262	T192-E264 HydrophobicContact CG2-CG 3.81Å; Y193-E264 WeakPolarHBondContact O-CA 3.5Å; R194-E264 HydrophobicContact CG-CB 4.32Å; R194-E264 HydrophobicContact CG-CG 4.05Å; R194-E264 IonicContact CZ-OE2 3.62Å; R194-E264 IonicContact NE-OE2 3.44Å; R194-E264 PolarHBondContact NE-OE2 2.96Å; R194-E264 IonicContact NH2-OE2 2.77Å; R194-E264 PolarHBondContact NH2-OE2 2.95Å; A242-E264 WeakPolarHBondContact CA-O 3.47Å; S243-E264 PolarHBondContact N-O 3.45Å; S243-E264 PolarHBondContact O-N 3.03Å; R245-E264 IonicContact CZ-OE2 3.66Å; R245-E264 IonicContact NH2-OE2 3.94Å; R245-E264 PolarHBondContact NH2-OE2 2.74Å; V262-E264 HydrophobicContact CG2-CB 4.47Å
265	I	98.8	Very high	92.1	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	130.7	-179.5	-173.5	169	0	0	0	110.4	T192 Y193 I239 S241 A242 F263 F270 V275 M278	T192-I265 CarbonylContact C-O 3.51Å; T192-I265 WeakPolarHBondContact CA-O 3.37Å; Y193-I265 PolarHBondContact N-O 3.48Å; Y193-I265 PolarHBondContact O-N 3.37Å; I239-I265 HydrophobicContact CD1-CD1 3.92Å; I239-I265 HydrophobicContact CD1-CG1 4.39Å; I239-I265 HydrophobicContact CG1-CD1 4.3Å; I239-I265 HydrophobicContact CG2-CD1 3.91Å; I239-I265 HydrophobicContact CG2-CG1 3.77Å; S241-I265 CarbonylContact O-C 3.54Å; S241-I265 WeakPolarHBondContact O-CA 3.11Å; A242-I265 HydrophobicContact CB-CG1 4.42Å; F263-I265 HydrophobicContact CE1-CB 4.34Å; F263-I265 HydrophobicContact CE1-CG2 4.28Å; F263-I265 HydrophobicContact CE2-CB 4.36Å; F263-I265 HydrophobicContact CZ-CB 3.96Å; F263-I265 HydrophobicContact CZ-CD1 4.01Å; F263-I265 HydrophobicContact CZ-CG1 4.48Å; F263-I265 HydrophobicContact CZ-CG2 4.39Å; I265-F270 HydrophobicContact CD1-CE1 3.84Å; I265-F270 HydrophobicContact CG1-CE1 3.98Å; I265-F270 HydrophobicContact CG1-CZ 4.15Å; I265-F270 HydrophobicContact CG2-CE1 4.25Å; I265-F270 HydrophobicContact CG2-CZ 4.28Å; I265-V275 HydrophobicContact CG2-CG1 3.9Å; I265-V275 HydrophobicContact CG2-CG2 4.13Å; I265-M278 HydrophobicContact CD1-CE 3.28Å; I265-M278 HydrophobicContact CD1-SD 3.75Å
266	K	98.9	Very high	94	Very high	70 Å²	70	39 Å²	39	30%	0.304	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	131	174.9	-173.4	178.2	-179.2	178.1	0	109.2	S190 R191 T192 L240 S241	S190-K266 WeakPolarHBondContact OG-CE 3.12Å; R191-K266 WeakPolarHBondContact O-CA 3.46Å; T192-K266 WeakPolarHBondContact OG1-CG 3.46Å; L240-K266 HydrophobicContact CB-CG 4.36Å; L240-K266 HydrophobicContact CD1-CD 4.36Å; L240-K266 HydrophobicContact CD1-CG 4.25Å; L240-K266 PolarHBondContact N-O 3.18Å; S241-K266 PolarHBondContact N-O 3.43Å; S241-K266 VanDerWaalsContact N-O 3.15Å; S241-K266 PolarHBondContact O-N 3.43Å; S241-K266 WeakPolarHBondContact OG-CB 3.39Å
267	G	98.6	Very high	95.3	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	165.7	179	0	0	0	0	0	112	S190 R191 T238	S190-G267 CarbonylContact C-O 3.49Å; S190-G267 WeakPolarHBondContact CA-O 3.44Å; S190-G267 WeakPolarHBondContact CB-O 3.28Å; R191-G267 PolarHBondContact N-O 2.82Å; R191-G267 PolarHBondContact O-N 2.83Å; T238-G267 WeakPolarHBondContact O-CA 3.17Å
268	L	98	Very high	96.3	Very high	77 Å²	77	29.8 Å²	29.8	40%	0.403	14%	0.143	S	C	.	.	S	Bend	trans	-68.7	-45.4	178.2	-58.9	-177	0	0	0	110.7	Q189 R191 T238 L240	Q189-L268 WeakPolarHBondContact O-CD2 3.27Å; R191-L268 WeakPolarHBondContact CD-O 3.22Å; R191-L268 PolarHBondContact NH1-O 2.95Å; T238-L268 HydrophobicContact CG2-CD1 4.22Å; T238-L268 HydrophobicContact CG2-CG 4.45Å; T238-L268 PolarHBondContact O-N 2.88Å; T238-L268 VanDerWaalsContact O-N 3.09Å; L240-L268 HydrophobicContact CD1-CD2 3.96Å; L240-L268 HydrophobicContact CD2-CD2 4.22Å; L240-L268 HydrophobicContact CD2-CG 4.49Å; L240-L268 HydrophobicContact CG-CD2 4.31Å
269	A	96.1	Very high	97.1	Very high	38 Å²	38	25.3 Å²	25.3	31%	0.314	13%	0.125	S	C	.	.			trans	-152.7	161.7	175.2	0	0	0	0	0	110.5	R237	R237-A269 WeakPolarHBondContact CD-O 3.45Å
270	F	97.6	Very high	97.6	Very high	38 Å²	38	24.3 Å²	24.3	17%	0.167	12%	0.12	C	C	.	.			trans	-127.9	145.1	178.9	-63.5	-88.2	0	0	0	111	R191 Y193 I239 I265 V275	R191-F270 HydrophobicContact CB-CD2 4.36Å; R191-F270 HydrophobicContact CB-CE2 4.03Å; R191-F270 WeakPolarHBondContact O-CE2 3.48Å; Y193-F270 AromaticContact CD2-CD2 3.83Å; Y193-F270 HydrophobicContact CD2-CD2 3.83Å; Y193-F270 AromaticContact CD2-CE2 3.62Å; Y193-F270 HydrophobicContact CD2-CE2 3.62Å; Y193-F270 HydrophobicContact CD2-CG 4.46Å; Y193-F270 HydrophobicContact CD2-CZ 4.07Å; Y193-F270 AromaticContact CE2-CD2 3.53Å; Y193-F270 HydrophobicContact CE2-CD2 3.53Å; Y193-F270 AromaticContact CE2-CE2 3.77Å; Y193-F270 HydrophobicContact CE2-CE2 3.77Å; Y193-F270 HydrophobicContact CE2-CG 4.21Å; I239-F270 HydrophobicContact CD1-CD1 4.24Å; I239-F270 HydrophobicContact CD1-CE1 3.64Å; I239-F270 HydrophobicContact CD1-CZ 4.31Å; I265-F270 HydrophobicContact CD1-CE1 3.84Å; I265-F270 HydrophobicContact CG1-CE1 3.98Å; I265-F270 HydrophobicContact CG1-CZ 4.15Å; I265-F270 HydrophobicContact CG2-CE1 4.25Å; I265-F270 HydrophobicContact CG2-CZ 4.28Å; F270-V275 HydrophobicContact CD1-CG2 3.58Å; F270-V275 HydrophobicContact CE1-CG2 3.81Å; F270-V275 HydrophobicContact CG-CG2 4.16Å
271	L	97.3	Very high	97.9	Very high	15 Å²	15	19.8 Å²	19.8	8%	0.079	10%	0.097	C	C	.	.			trans	-79	165.8	172	-66.8	155.8	0	0	0	111.2	F220 C224 V232 F235 R237 H273 Q274	F220-L271 HydrophobicContact CB-CD1 3.78Å; C224-L271 HydrophobicContact CB-CB 3.71Å; C224-L271 HydrophobicContact CB-CD1 4.13Å; V232-L271 HydrophobicContact CG1-CD2 3.93Å; F235-L271 HydrophobicContact CB-CD1 4.2Å; F235-L271 HydrophobicContact CD1-CD1 4Å; F235-L271 HydrophobicContact CD1-CD2 3.91Å; F235-L271 HydrophobicContact CE1-CD2 4.38Å; F235-L271 WeakPolarHBondContact O-CD1 3.48Å; R237-L271 HydrophobicContact CG-CD1 3.98Å; R237-L271 HydrophobicContact CG-CG 3.93Å; R237-L271 VanDerWaalsContact CZ-CD2 3.48Å; L271-H273 PolarHBondContact O-N 2.86Å; L271-Q274 HydrophobicContact CB-CB 4.04Å; L271-Q274 VanDerWaalsContact O-CB 3.3Å; L271-Q274 WeakPolarHBondContact O-CB 3.29Å; L271-Q274 PolarHBondContact O-N 3.48Å; L271-Q274 VanDerWaalsContact O-N 3.07Å
272	Y	95.7	Very high	98	Very high	94 Å²	94	19.4 Å²	19.4	37%	0.369	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	126.6	177.7	-172.8	-149.5	0	0	0	111.1	D112 C224 K225 D227 Q274	D112-Y272 VanDerWaalsContact OD1-CE2 3.22Å; D112-Y272 WeakPolarHBondContact OD1-CE2 3.49Å; C224-Y272 WeakPolarHBondContact CB-O 3.4Å; K225-Y272 HydrophobicContact CB-CD1 4.01Å; K225-Y272 HydrophobicContact CD-CD1 4.06Å; K225-Y272 HydrophobicContact CD-CE1 3.74Å; K225-Y272 HydrophobicContact CG-CD1 4.12Å; K225-Y272 HydrophobicContact CG-CE1 4.3Å; K225-Y272 PolarHBondContact N-O 3.19Å; D227-Y272 HydrophobicContact CB-CD1 4.21Å; Y272-Q274 PolarHBondContact O-N 2.88Å
273	H	96.7	Very high	97.9	Very high	19 Å²	19	19.3 Å²	19.3	9%	0.088	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	60	10.9	-173.5	-65.6	-88	0	0	0	116.9	D112 K225 L271 V275 R276 C277 M312	D112-H273 IonicContact OD2-CE1 3.64Å; D112-H273 PolarHBondContact OD2-CE1 2.84Å; D112-H273 IonicContact OD2-CG 2.68Å; D112-H273 IonicContact OD2-ND1 3.76Å; D112-H273 IonicContact OD2-NE2 3.67Å; K225-H273 HydrophobicContact CB-CB 4.2Å; L271-H273 PolarHBondContact O-N 2.86Å; H273-V275 PolarHBondContact O-N 3.09Å; H273-R276 PolarHBondContact O-N 2.92Å; H273-C277 PolarHBondContact O-N 2.85Å; H273-C277 PolarHBondContact O-SG 3.08Å; H273-C277 VanDerWaalsContact O-SG 3.33Å; H273-M312 HydrophobicContact CB-CE 4.34Å; H273-M312 HydrophobicContact CB-SD 3.4Å; H273-M312 WeakPolarHBondContact CB-SD 3.14Å; H273-M312 WeakPolarHBondContact ND1-CE 3.37Å; H273-M312 PolarHBondContact ND1-SD 2.85Å
274	Q	98.3	Very high	97.8	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.005	10%	0.1	C	C	.	.	H	α-helix	trans	-58.2	-54.5	-170.4	-172.1	-178.8	-16.6	0	0	113	F220 L223 C224 L271 Y272 R276 C277 M278	F220-Q274 HydrophobicContact CB-CG 4.35Å; F220-Q274 HydrophobicContact CD1-CG 4.33Å; F220-Q274 VanDerWaalsContact CD1-NE2 3.26Å; F220-Q274 HydrophobicContact CG-CG 4.5Å; L223-Q274 VanDerWaalsContact O-CA 3.28Å; L223-Q274 WeakPolarHBondContact O-CA 3.44Å; C224-Q274 HydrophobicContact CB-CB 4.26Å; L271-Q274 HydrophobicContact CB-CB 4.04Å; L271-Q274 VanDerWaalsContact O-CB 3.3Å; L271-Q274 WeakPolarHBondContact O-CB 3.29Å; L271-Q274 PolarHBondContact O-N 3.48Å; L271-Q274 VanDerWaalsContact O-N 3.07Å; Y272-Q274 PolarHBondContact O-N 2.88Å; Q274-R276 VanDerWaalsContact C-N 3.25Å; Q274-R276 PolarHBondContact O-N 3Å; Q274-C277 WeakPolarHBondContact O-CB 3.48Å; Q274-C277 PolarHBondContact O-N 2.86Å; Q274-C277 VanDerWaalsContact O-N 3.1Å; Q274-M278 HydrophobicContact CG-CG 4.39Å; Q274-M278 HydrophobicContact CG-SD 3.78Å; Q274-M278 VanDerWaalsContact O-CG 3.27Å; Q274-M278 WeakPolarHBondContact O-CG 3.02Å; Q274-M278 PolarHBondContact O-N 3.33Å
275	V	98.5	Very high	97.8	Very high	7 Å²	7	18.7 Å²	18.7	4%	0.042	9%	0.092	C	C	.	.	H	α-helix	trans	-60.2	-36.7	-177	-177.4	0	0	0	0	111.8	Y193 F263 I265 F270 H273 M278 M279 L318	Y193-V275 HydrophobicContact CD2-CG2 4.22Å; Y193-V275 HydrophobicContact CG-CG2 4.21Å; F263-V275 HydrophobicContact CE1-CG1 4.28Å; I265-V275 HydrophobicContact CG2-CG1 3.9Å; I265-V275 HydrophobicContact CG2-CG2 4.13Å; F270-V275 HydrophobicContact CD1-CG2 3.58Å; F270-V275 HydrophobicContact CE1-CG2 3.81Å; F270-V275 HydrophobicContact CG-CG2 4.16Å; H273-V275 PolarHBondContact O-N 3.09Å; V275-M278 PolarHBondContact O-N 3.09Å; V275-M279 WeakPolarHBondContact O-CB 3.44Å; V275-M279 PolarHBondContact O-N 3.5Å; V275-L318 HydrophobicContact CB-CD1 4.29Å; V275-L318 HydrophobicContact CB-CD2 4.4Å; V275-L318 HydrophobicContact CG1-CD1 3.62Å
276	R	98.3	Very high	97.6	Very high	8 Å²	8	18.7 Å²	18.7	3%	0.03	9%	0.092	C	C	.	.	H	α-helix	trans	-72.2	-34.5	178.6	-61.8	176.5	62	-164.5	-1.6	112.5	H273 Q274 A280 M312 A313 L318 E382	H273-R276 PolarHBondContact O-N 2.92Å; Q274-R276 VanDerWaalsContact C-N 3.25Å; Q274-R276 PolarHBondContact O-N 3Å; R276-A280 WeakPolarHBondContact O-CB 3.41Å; R276-A280 PolarHBondContact O-N 2.86Å; R276-M312 HydrophobicContact CB-CB 4.27Å; R276-A313 PolarHBondContact NE-O 2.67Å; R276-A313 PolarHBondContact NH2-O 3.41Å; R276-A313 WeakPolarHBondContact O-CB 3.19Å; R276-A313 PolarHBondContact O-N 3.1Å; R276-A313 VanDerWaalsContact O-N 3.07Å; R276-L318 HydrophobicContact CG-CD2 3.74Å; R276-E382 IonicContact CZ-OE1 2.72Å; R276-E382 IonicContact NH1-OE1 2.65Å; R276-E382 IonicContact NH2-OE1 3.16Å; R276-E382 PolarHBondContact NH2-OE1 3.42Å; R276-E382 IonicContact NH2-OE2 3.05Å
277	C	98.4	Very high	97.3	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-67.7	-44.1	172	-70.5	0	0	0	0	111.2	L223 H273 Q274 A280 V281 Y310 M312	L223-C277 VanDerWaalsContact C-CB 3.47Å; L223-C277 WeakPolarHBondContact O-CB 3.44Å; H273-C277 PolarHBondContact O-N 2.85Å; H273-C277 PolarHBondContact O-SG 3.08Å; H273-C277 VanDerWaalsContact O-SG 3.33Å; Q274-C277 WeakPolarHBondContact O-CB 3.48Å; Q274-C277 PolarHBondContact O-N 2.86Å; Q274-C277 VanDerWaalsContact O-N 3.1Å; C277-A280 WeakPolarHBondContact O-CB 3.39Å; C277-A280 PolarHBondContact O-N 3.49Å; C277-V281 PolarHBondContact O-N 2.99Å; C277-V281 VanDerWaalsContact O-N 3.15Å; C277-Y310 HydrophobicContact CB-CE2 3.99Å; C277-Y310 WeakPolarHBondContact CB-OH 3.33Å; C277-M312 VanDerWaalsContact SG-CG 3.6Å; C277-M312 VanDerWaalsContact SG-SD 3.66Å
278	M	98.7	Very high	97.2	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-59.6	-48.3	175.7	-64.8	168.8	78.7	0	0	110.9	Y214 F220 L223 F263 I265 Q274 V275 A280 V281 L282	Y214-M278 VanDerWaalsContact CB-CE 3.45Å; Y214-M278 HydrophobicContact CD1-CE 3.54Å; Y214-M278 HydrophobicContact CD2-CB 4.48Å; Y214-M278 HydrophobicContact CD2-CE 3.36Å; Y214-M278 HydrophobicContact CE1-CB 4.43Å; Y214-M278 HydrophobicContact CE1-CE 4.05Å; Y214-M278 HydrophobicContact CE1-CG 4.16Å; Y214-M278 HydrophobicContact CE2-CB 3.83Å; Y214-M278 HydrophobicContact CE2-CE 3.88Å; Y214-M278 HydrophobicContact CE2-CG 4.32Å; Y214-M278 HydrophobicContact CG-CE 3.17Å; Y214-M278 WeakPolarHBondContact OH-CA 3.32Å; Y214-M278 PolarHBondContact OH-O 3.28Å; Y214-M278 VanDerWaalsContact OH-O 3.13Å; F220-M278 HydrophobicContact CD1-SD 4.42Å; F220-M278 HydrophobicContact CE1-CE 3.88Å; F220-M278 HydrophobicContact CE1-SD 4.2Å; L223-M278 HydrophobicContact CB-CG 4.42Å; F263-M278 HydrophobicContact CE1-CB 4.47Å; I265-M278 HydrophobicContact CD1-CE 3.28Å; I265-M278 HydrophobicContact CD1-SD 3.75Å; Q274-M278 HydrophobicContact CG-CG 4.39Å; Q274-M278 HydrophobicContact CG-SD 3.78Å; Q274-M278 VanDerWaalsContact O-CG 3.27Å; Q274-M278 WeakPolarHBondContact O-CG 3.02Å; Q274-M278 PolarHBondContact O-N 3.33Å; V275-M278 PolarHBondContact O-N 3.09Å; M278-A280 VanDerWaalsContact C-N 3.28Å; M278-A280 PolarHBondContact O-N 2.9Å; M278-V281 PolarHBondContact O-N 3.06Å; M278-L282 PolarHBondContact O-N 3.22Å
279	M	98.5	Very high	97	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-60.7	-37.2	175.4	-172.7	64.2	-162.8	0	0	112.2	Y195 F197 M207 F263 V275 V281 L282 L283 A313	Y195-M279 HydrophobicContact CD1-CE 3.98Å; Y195-M279 HydrophobicContact CD1-CG 3.69Å; Y195-M279 HydrophobicContact CD1-SD 3.94Å; Y195-M279 HydrophobicContact CD2-CB 4.39Å; Y195-M279 HydrophobicContact CD2-CG 4.11Å; Y195-M279 HydrophobicContact CE1-CE 4.19Å; Y195-M279 HydrophobicContact CE1-CG 3.8Å; Y195-M279 HydrophobicContact CE1-SD 4.46Å; Y195-M279 HydrophobicContact CE2-CG 4.19Å; Y195-M279 HydrophobicContact CG-CB 4.47Å; Y195-M279 HydrophobicContact CG-CG 3.86Å; Y195-M279 HydrophobicContact CG-SD 4.26Å; F197-M279 HydrophobicContact CB-CE 4.29Å; F197-M279 HydrophobicContact CD1-CE 3.52Å; F197-M279 HydrophobicContact CD2-CE 4.18Å; F197-M279 HydrophobicContact CE1-CE 3.76Å; F197-M279 HydrophobicContact CE2-CE 4.38Å; F197-M279 HydrophobicContact CG-CE 3.75Å; F197-M279 HydrophobicContact CZ-CE 4.18Å; M207-M279 HydrophobicContact CE-CE 3.81Å; F263-M279 HydrophobicContact CB-SD 3.76Å; F263-M279 HydrophobicContact CD1-CB 4.35Å; F263-M279 HydrophobicContact CD1-SD 3.82Å; F263-M279 HydrophobicContact CG-SD 4.05Å; V275-M279 WeakPolarHBondContact O-CB 3.44Å; V275-M279 PolarHBondContact O-N 3.5Å; M279-V281 VanDerWaalsContact C-N 3.34Å; M279-V281 PolarHBondContact O-N 3.39Å; M279-L282 PolarHBondContact O-N 2.95Å; M279-L282 HydrophobicContact SD-CD1 4.43Å; M279-L283 HydrophobicContact CE-CD1 4.46Å; M279-L283 HydrophobicContact CE-CD2 3.61Å; M279-L283 HydrophobicContact CE-CG 3.84Å; M279-L283 HydrophobicContact CG-CD1 4.43Å; M279-L283 HydrophobicContact CG-CG 4.43Å; M279-L283 VanDerWaalsContact O-CG 3.3Å; M279-L283 WeakPolarHBondContact O-CG 3.24Å; M279-L283 PolarHBondContact O-N 3.45Å; M279-A313 HydrophobicContact CB-CB 3.88Å; M279-A313 HydrophobicContact CG-CB 3.91Å
280	A	97.6	Very high	97.1	Very high	2 Å²	2	22.6 Å²	22.6	2%	0.017	10%	0.103	C	C	.	.	H	α-helix	trans	-61	-42.3	177.1	0	0	0	0	0	112.4	R276 C277 M278 L283 L284 Y310 S311 A313	R276-A280 WeakPolarHBondContact O-CB 3.41Å; R276-A280 PolarHBondContact O-N 2.86Å; C277-A280 WeakPolarHBondContact O-CB 3.39Å; C277-A280 PolarHBondContact O-N 3.49Å; M278-A280 VanDerWaalsContact C-N 3.28Å; M278-A280 PolarHBondContact O-N 2.9Å; A280-L283 PolarHBondContact O-N 3.45Å; A280-L284 WeakPolarHBondContact O-CG 3.15Å; A280-L284 PolarHBondContact O-N 2.81Å; A280-L284 VanDerWaalsContact O-N 3.14Å; A280-Y310 HydrophobicContact CB-CD2 4.35Å; A280-Y310 HydrophobicContact CB-CE2 4.49Å; A280-S311 VanDerWaalsContact CB-O 3.3Å; A280-S311 WeakPolarHBondContact CB-O 3.24Å; A280-A313 HydrophobicContact CB-CB 4.48Å
281	V	98.2	Very high	97.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-66.6	-42.3	176	176	0	0	0	0	110.6	L223 C277 M278 M279 L283 L284 I285 I294 I295 L298 L392	L223-V281 HydrophobicContact CD2-CG2 3.81Å; C277-V281 PolarHBondContact O-N 2.99Å; C277-V281 VanDerWaalsContact O-N 3.15Å; M278-V281 PolarHBondContact O-N 3.06Å; M279-V281 VanDerWaalsContact C-N 3.34Å; M279-V281 PolarHBondContact O-N 3.39Å; V281-L283 VanDerWaalsContact C-N 3.3Å; V281-L283 PolarHBondContact O-N 3.04Å; V281-L284 WeakPolarHBondContact O-CB 3.21Å; V281-L284 PolarHBondContact O-N 3.43Å; V281-L284 VanDerWaalsContact O-N 3.09Å; V281-I285 HydrophobicContact CG1-CD1 3.92Å; V281-I285 WeakPolarHBondContact O-CG1 3.37Å; V281-I285 PolarHBondContact O-N 3.11Å; V281-I294 HydrophobicContact CG1-CG2 3.79Å; V281-I295 HydrophobicContact CG1-CG1 3.98Å; V281-L298 HydrophobicContact CG1-CD1 4.37Å; V281-L298 HydrophobicContact CG2-CD1 3.96Å; V281-L392 HydrophobicContact CG2-CD1 4.32Å
282	L	98.4	Very high	97.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-59.5	-38.8	173	-68	176.4	0	0	0	112.4	M207 A210 A211 Y214 V244 F263 M278 M279 L284 I285 G286 I295	M207-L282 HydrophobicContact CE-CB 3.89Å; M207-L282 WeakPolarHBondContact CG-O 3.48Å; A210-L282 HydrophobicContact CB-CD2 3.88Å; A211-L282 HydrophobicContact CB-CD1 4.25Å; A211-L282 HydrophobicContact CB-CD2 4.23Å; Y214-L282 HydrophobicContact CE2-CD1 4.1Å; Y214-L282 HydrophobicContact CE2-CD2 4.1Å; Y214-L282 HydrophobicContact CE2-CG 3.96Å; V244-L282 HydrophobicContact CG2-CD1 4.4Å; F263-L282 HydrophobicContact CD1-CD1 4.19Å; F263-L282 HydrophobicContact CD2-CD1 3.75Å; F263-L282 HydrophobicContact CE1-CD1 4.13Å; F263-L282 HydrophobicContact CE2-CD1 3.7Å; F263-L282 HydrophobicContact CG-CD1 4.01Å; F263-L282 HydrophobicContact CZ-CD1 3.88Å; M278-L282 PolarHBondContact O-N 3.22Å; M279-L282 PolarHBondContact O-N 2.95Å; M279-L282 HydrophobicContact SD-CD1 4.43Å; L282-L284 VanDerWaalsContact C-N 3.3Å; L282-L284 PolarHBondContact O-N 3Å; L282-I285 PolarHBondContact O-N 2.9Å; L282-G286 PolarHBondContact O-N 3.45Å; L282-I295 HydrophobicContact CD2-CD1 4.27Å
283	L	96.8	Very high	97.2	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-64.9	-33.4	175.7	-70.8	172.7	0	0	0	112.5	L202 M207 M279 A280 V281 Q287 A313 L380 V381	L202-L283 HydrophobicContact CD1-CD2 3.75Å; L202-L283 HydrophobicContact CD2-CD2 4.38Å; M207-L283 HydrophobicContact CE-CD2 4.39Å; M279-L283 HydrophobicContact CE-CD1 4.46Å; M279-L283 HydrophobicContact CE-CD2 3.61Å; M279-L283 HydrophobicContact CE-CG 3.84Å; M279-L283 HydrophobicContact CG-CD1 4.43Å; M279-L283 HydrophobicContact CG-CG 4.43Å; M279-L283 VanDerWaalsContact O-CG 3.3Å; M279-L283 WeakPolarHBondContact O-CG 3.24Å; M279-L283 PolarHBondContact O-N 3.45Å; A280-L283 PolarHBondContact O-N 3.45Å; V281-L283 VanDerWaalsContact C-N 3.3Å; V281-L283 PolarHBondContact O-N 3.04Å; L283-Q287 WeakPolarHBondContact O-CB 3.45Å; L283-Q287 WeakPolarHBondContact O-CG 3.28Å; L283-Q287 PolarHBondContact O-N 3.04Å; L283-Q287 VanDerWaalsContact O-N 3.1Å; L283-Q287 PolarHBondContact O-NE2 3.44Å; L283-A313 HydrophobicContact CD1-CB 4.25Å; L283-L380 HydrophobicContact CD1-CB 3.92Å; L283-V381 HydrophobicContact CB-CG2 4.48Å; L283-V381 HydrophobicContact CD1-CG2 3.74Å
284	L	95.9	Very high	97.3	Very high	23 Å²	23	22 Å²	22	12%	0.12	11%	0.113	C	C	.	.	H	α-helix	trans	-69.4	-42.6	174.1	-67	172.9	0	0	0	111.4	A280 V281 L282 Q287 K288 L289 E290 Y389 L392	A280-L284 WeakPolarHBondContact O-CG 3.15Å; A280-L284 PolarHBondContact O-N 2.81Å; A280-L284 VanDerWaalsContact O-N 3.14Å; V281-L284 WeakPolarHBondContact O-CB 3.21Å; V281-L284 PolarHBondContact O-N 3.43Å; V281-L284 VanDerWaalsContact O-N 3.09Å; L282-L284 VanDerWaalsContact C-N 3.3Å; L282-L284 PolarHBondContact O-N 3Å; L284-Q287 PolarHBondContact O-N 3.3Å; L284-K288 PolarHBondContact O-N 3.36Å; L284-L289 HydrophobicContact CD2-CD1 4.11Å; L284-L289 PolarHBondContact O-N 3.46Å; L284-E290 HydrophobicContact CB-CB 4.4Å; L284-E290 HydrophobicContact CB-CG 3.95Å; L284-E290 HydrophobicContact CD1-CG 4.44Å; L284-Y389 HydrophobicContact CD2-CE2 3.61Å; L284-L392 HydrophobicContact CD1-CD1 3.9Å; L284-L392 HydrophobicContact CD1-CD2 4.21Å; L284-L392 HydrophobicContact CD1-CG 4.16Å
285	I	97.6	Very high	97.3	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-63.5	-46.9	175.6	-66.2	164.1	0	0	0	110.6	L206 A210 V281 L282 Q287 K288 E290 P292 I294 I295	L206-I285 HydrophobicContact CB-CG2 4.48Å; L206-I285 HydrophobicContact CD2-CG2 3.77Å; L206-I285 HydrophobicContact CG-CG2 3.66Å; A210-I285 HydrophobicContact CB-CD1 3.77Å; A210-I285 HydrophobicContact CB-CG2 4.07Å; V281-I285 HydrophobicContact CG1-CD1 3.92Å; V281-I285 WeakPolarHBondContact O-CG1 3.37Å; V281-I285 PolarHBondContact O-N 3.11Å; L282-I285 PolarHBondContact O-N 2.9Å; I285-Q287 PolarHBondContact O-N 3Å; I285-K288 WeakPolarHBondContact O-CA 3.46Å; I285-K288 PolarHBondContact O-N 3.4Å; I285-E290 WeakPolarHBondContact CA-O 3.48Å; I285-E290 HydrophobicContact CG1-CB 4.03Å; I285-P292 HydrophobicContact CG2-CG 4.28Å; I285-I294 HydrophobicContact CD1-CG2 3.88Å; I285-I294 HydrophobicContact CG1-CG2 4.13Å; I285-I295 HydrophobicContact CD1-CD1 3.89Å; I285-I295 HydrophobicContact CD1-CG1 4.13Å
286	G	95.8	Very high	97.3	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-61.9	-28.9	176	0	0	0	0	0	113	L202 D203 L282 K288	L202-G286 CarbonylContact C-O 3.57Å; L202-G286 WeakPolarHBondContact CA-O 3.45Å; D203-G286 PolarHBondContact N-O 3.42Å; L282-G286 PolarHBondContact O-N 3.45Å; G286-K288 PolarHBondContact O-N 3.11Å
287	Q	93.4	Very high	97.3	Very high	38 Å²	38	28.2 Å²	28.2	18%	0.178	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-0.1	171.6	-71.2	166.2	33.9	0	0	113.3	L202 L283 L284 I285 L289 C378	L202-Q287 HydrophobicContact CD2-CG 3.68Å; L283-Q287 WeakPolarHBondContact O-CB 3.45Å; L283-Q287 WeakPolarHBondContact O-CG 3.28Å; L283-Q287 PolarHBondContact O-N 3.04Å; L283-Q287 VanDerWaalsContact O-N 3.1Å; L283-Q287 PolarHBondContact O-NE2 3.44Å; L284-Q287 PolarHBondContact O-N 3.3Å; I285-Q287 PolarHBondContact O-N 3Å; Q287-L289 HydrophobicContact CB-CD1 3.82Å; Q287-L289 HydrophobicContact CB-CG 3.79Å; Q287-L289 PolarHBondContact O-N 3.11Å; Q287-L289 VanDerWaalsContact OE1-CD1 3.27Å; Q287-C378 VanDerWaalsContact NE2-CB 3.29Å; Q287-C378 PolarHBondContact NE2-SG 3.28Å; Q287-C378 VanDerWaalsContact NE2-SG 3.41Å
288	K	94.9	Very high	97.3	Very high	145 Å²	145	28.2 Å²	28.2	63%	0.63	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.2	26.9	-172.8	-52.9	-170.8	-179	-160.4	0	113.6	D203 L284 I285 G286	D203-K288 HydrophobicContact CB-CG 4.48Å; D203-K288 WeakPolarHBondContact OD2-CE 3.38Å; D203-K288 IonicContact OD2-NZ 3.9Å; D203-K288 PolarHBondContact OD2-NZ 3.09Å; L284-K288 PolarHBondContact O-N 3.36Å; I285-K288 WeakPolarHBondContact O-CA 3.46Å; I285-K288 PolarHBondContact O-N 3.4Å; G286-K288 PolarHBondContact O-N 3.11Å
289	L	94.3	Very high	97.3	Very high	63 Å²	63	29 Å²	29	33%	0.33	15%	0.148	S	C	.	.	S	Bend	trans	-86.9	-22.9	176.1	-63.7	175.5	0	0	0	111.7	L284 Q287 Y389	L284-L289 HydrophobicContact CD2-CD1 4.11Å; L284-L289 PolarHBondContact O-N 3.46Å; Q287-L289 HydrophobicContact CB-CD1 3.82Å; Q287-L289 HydrophobicContact CB-CG 3.79Å; Q287-L289 PolarHBondContact O-N 3.11Å; Q287-L289 VanDerWaalsContact OE1-CD1 3.27Å; L289-Y389 HydrophobicContact CB-CD1 3.89Å; L289-Y389 HydrophobicContact CB-CD2 4.11Å; L289-Y389 HydrophobicContact CB-CE1 3.66Å; L289-Y389 HydrophobicContact CB-CE2 3.86Å; L289-Y389 HydrophobicContact CB-CG 4.1Å; L289-Y389 HydrophobicContact CD1-CD2 3.64Å; L289-Y389 HydrophobicContact CD1-CE2 3.82Å; L289-Y389 HydrophobicContact CD1-CG 4.11Å; L289-Y389 HydrophobicContact CD2-CD1 4.1Å; L289-Y389 HydrophobicContact CD2-CD2 4.25Å; L289-Y389 HydrophobicContact CD2-CG 3.84Å; L289-Y389 HydrophobicContact CG-CD1 4.45Å; L289-Y389 HydrophobicContact CG-CD2 4.22Å; L289-Y389 HydrophobicContact CG-CE2 4.37Å; L289-Y389 HydrophobicContact CG-CG 4.24Å; L289-Y389 WeakPolarHBondContact O-CE1 3.31Å
290	E	97.4	Very high	97.3	Very high	22 Å²	22	30.8 Å²	30.8	10%	0.103	16%	0.158	C	C	.	.	S	Bend	trans	-132.2	151.6	173.1	-64.2	-66	168	0	0	109.6	L284 I285 I294 Y389 P391 L392	L284-E290 HydrophobicContact CB-CB 4.4Å; L284-E290 HydrophobicContact CB-CG 3.95Å; L284-E290 HydrophobicContact CD1-CG 4.44Å; I285-E290 WeakPolarHBondContact CA-O 3.48Å; I285-E290 HydrophobicContact CG1-CB 4.03Å; E290-I294 HydrophobicContact CB-CB 4.38Å; E290-I294 HydrophobicContact CB-CG2 4Å; E290-Y389 VanDerWaalsContact CD-OH 3.26Å; E290-Y389 HydrophobicContact CG-CE1 4.44Å; E290-Y389 WeakPolarHBondContact CG-OH 3.5Å; E290-Y389 WeakPolarHBondContact OE1-CE1 3.4Å; E290-Y389 PolarHBondContact OE1-OH 3.29Å; E290-P391 VanDerWaalsContact OE1-CA 3.27Å; E290-P391 WeakPolarHBondContact OE1-CA 3.4Å; E290-L392 HydrophobicContact CG-CD1 4.13Å; E290-L392 HydrophobicContact CG-CG 4.34Å; E290-L392 WeakPolarHBondContact OE1-CG 3.27Å; E290-L392 PolarHBondContact OE1-N 3.48Å
291	A	97.9	Very high	97.2	Very high	53 Å²	53	32.1 Å²	32.1	44%	0.438	17%	0.166	S	C	.	.			trans	-85.6	153.7	170.4	0	0	0	0	0	110.6	E293 I294	A291-E293 VanDerWaalsContact CB-OE2 3.28Å; A291-E293 WeakPolarHBondContact CB-OE2 3.5Å; A291-E293 PolarHBondContact O-N 3.02Å; A291-E293 VanDerWaalsContact O-N 3.11Å; A291-I294 WeakPolarHBondContact O-CB 3.16Å; A291-I294 WeakPolarHBondContact O-CG2 3.4Å; A291-I294 PolarHBondContact O-N 2.71Å
292	P	98.4	Very high	97	Very high	10 Å²	10	40.8 Å²	40.8	7%	0.065	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-33	179.6	-30.1	37.7	0	0	0	115.2	L206 A210 R213 I285 I294 I295	L206-P292 HydrophobicContact CD1-CG 3.45Å; L206-P292 VanDerWaalsContact CD1-CG 3.45Å; L206-P292 HydrophobicContact CG-CG 3.96Å; A210-P292 HydrophobicContact CB-CB 3.92Å; A210-P292 HydrophobicContact CB-CG 4.34Å; R213-P292 WeakPolarHBondContact CD-O 3.36Å; I285-P292 HydrophobicContact CG2-CG 4.28Å; P292-I294 PolarHBondContact O-N 3.13Å; P292-I294 VanDerWaalsContact O-N 3.08Å; P292-I295 PolarHBondContact O-N 2.93Å; P292-I295 VanDerWaalsContact O-N 3.1Å
293	E	98.1	Very high	96.9	Very high	82 Å²	82	48.1 Å²	48.1	38%	0.383	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-17.7	-179.5	-64.3	65	-139.2	0	0	112.7	R213 A291 I295 D296 H297	R213-E293 IonicContact CZ-OE1 2.72Å; R213-E293 IonicContact NH1-OE1 3.9Å; R213-E293 IonicContact NH2-OE1 3.88Å; R213-E293 PolarHBondContact NH2-OE1 3.47Å; A291-E293 VanDerWaalsContact CB-OE2 3.28Å; A291-E293 WeakPolarHBondContact CB-OE2 3.5Å; A291-E293 PolarHBondContact O-N 3.02Å; A291-E293 VanDerWaalsContact O-N 3.11Å; E293-I295 PolarHBondContact O-N 3.42Å; E293-D296 WeakPolarHBondContact O-CB 3.29Å; E293-D296 PolarHBondContact O-N 3.11Å; E293-H297 PolarHBondContact O-CD2 3.18Å; E293-H297 PolarHBondContact O-N 2.84Å; E293-H297 VanDerWaalsContact O-N 3.13Å
294	I	98.5	Very high	96.9	Very high	7 Å²	7	50.1 Å²	50.1	4%	0.036	25%	0.249	C	C	.	.	H	α-helix	trans	-56.9	-31.1	173.7	-166	50.2	0	0	0	112	V281 I285 E290 A291 P292 H297 L298 L392 L393	V281-I294 HydrophobicContact CG1-CG2 3.79Å; I285-I294 HydrophobicContact CD1-CG2 3.88Å; I285-I294 HydrophobicContact CG1-CG2 4.13Å; E290-I294 HydrophobicContact CB-CB 4.38Å; E290-I294 HydrophobicContact CB-CG2 4Å; A291-I294 WeakPolarHBondContact O-CB 3.16Å; A291-I294 WeakPolarHBondContact O-CG2 3.4Å; A291-I294 PolarHBondContact O-N 2.71Å; P292-I294 PolarHBondContact O-N 3.13Å; P292-I294 VanDerWaalsContact O-N 3.08Å; I294-H297 HydrophobicContact CD1-CB 4.43Å; I294-H297 PolarHBondContact O-N 3.3Å; I294-L298 HydrophobicContact CD1-CG 4.44Å; I294-L298 HydrophobicContact CG1-CD1 4.19Å; I294-L298 HydrophobicContact CG1-CG 4.38Å; I294-L298 WeakPolarHBondContact O-CB 3.35Å; I294-L298 WeakPolarHBondContact O-CG 3.3Å; I294-L298 PolarHBondContact O-N 3.17Å; I294-L392 HydrophobicContact CD1-CB 4.07Å; I294-L392 HydrophobicContact CG1-CB 4.26Å; I294-L392 HydrophobicContact CG1-CD1 3.83Å; I294-L393 HydrophobicContact CD1-CD1 4.04Å; I294-L393 HydrophobicContact CD1-CD2 3.86Å; I294-L393 HydrophobicContact CD1-CG 3.6Å
295	I	98.7	Very high	96.8	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63.8	-46.3	177.4	-68.8	172	0	0	0	109.8	A210 R213 Y214 V281 L282 I285 P292 E293 H297 L298 L299	A210-I295 HydrophobicContact CB-CD1 3.9Å; A210-I295 WeakPolarHBondContact O-CD1 3.44Å; R213-I295 HydrophobicContact CB-CB 4.15Å; R213-I295 HydrophobicContact CB-CD1 4.48Å; R213-I295 HydrophobicContact CB-CG2 3.69Å; Y214-I295 HydrophobicContact CD1-CD1 4.45Å; Y214-I295 HydrophobicContact CD1-CG2 3.52Å; Y214-I295 HydrophobicContact CD2-CD1 4.46Å; Y214-I295 HydrophobicContact CE1-CB 4.2Å; Y214-I295 HydrophobicContact CE1-CD1 3.86Å; Y214-I295 HydrophobicContact CE1-CG1 3.82Å; Y214-I295 HydrophobicContact CE1-CG2 3.4Å; Y214-I295 HydrophobicContact CE2-CD1 3.88Å; Y214-I295 HydrophobicContact CG-CG2 4.41Å; V281-I295 HydrophobicContact CG1-CG1 3.98Å; L282-I295 HydrophobicContact CD2-CD1 4.27Å; I285-I295 HydrophobicContact CD1-CD1 3.89Å; I285-I295 HydrophobicContact CD1-CG1 4.13Å; P292-I295 PolarHBondContact O-N 2.93Å; P292-I295 VanDerWaalsContact O-N 3.1Å; E293-I295 PolarHBondContact O-N 3.42Å; I295-H297 VanDerWaalsContact C-N 3.31Å; I295-H297 PolarHBondContact O-N 3.41Å; I295-L298 PolarHBondContact O-N 3.23Å; I295-L298 VanDerWaalsContact O-N 3.12Å; I295-L299 HydrophobicContact CG2-CD1 3.76Å; I295-L299 HydrophobicContact CG2-CG 4.28Å; I295-L299 VanDerWaalsContact O-CG 3.3Å; I295-L299 WeakPolarHBondContact O-CG 3.42Å; I295-L299 PolarHBondContact O-N 2.73Å
296	D	98.4	Very high	96.6	Very high	65 Å²	65	57.9 Å²	57.9	35%	0.348	28%	0.284	S	S	.	.	H	α-helix	trans	-62	-42.4	179.3	-52.3	-43.8	0	0	0	110.6	R213 E293 L298 L299 D300	R213-D296 IonicContact CZ-OD2 3.17Å; R213-D296 IonicContact NH1-OD2 3.76Å; R213-D296 PolarHBondContact NH1-OD2 3.46Å; E293-D296 WeakPolarHBondContact O-CB 3.29Å; E293-D296 PolarHBondContact O-N 3.11Å; D296-L298 VanDerWaalsContact C-N 3.34Å; D296-L298 PolarHBondContact O-N 3.35Å; D296-L299 PolarHBondContact O-N 2.98Å; D296-D300 WeakPolarHBondContact O-CB 3.04Å; D296-D300 PolarHBondContact O-N 2.91Å
297	H	98.3	Very high	96.6	Very high	82 Å²	82	58.8 Å²	58.8	38%	0.38	29%	0.289	S	S	.	.	H	α-helix	trans	-62.6	-38.1	175	-65.8	-49	0	0	0	113.2	E293 I294 I295 N304 L393	E293-H297 PolarHBondContact O-CD2 3.18Å; E293-H297 PolarHBondContact O-N 2.84Å; E293-H297 VanDerWaalsContact O-N 3.13Å; I294-H297 HydrophobicContact CD1-CB 4.43Å; I294-H297 PolarHBondContact O-N 3.3Å; I295-H297 VanDerWaalsContact C-N 3.31Å; I295-H297 PolarHBondContact O-N 3.41Å; H297-N304 WeakPolarHBondContact O-CB 3.29Å; H297-N304 PolarHBondContact O-ND2 3.37Å; H297-L393 HydrophobicContact CB-CD1 4.1Å; H297-L393 HydrophobicContact CB-CD2 4.31Å
298	L	98.3	Very high	96.7	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-73.7	-29.8	178.2	-69.4	172.3	0	0	0	112.5	N222 L223 V281 I294 I295 D296 P308 L392	N222-L298 HydrophobicContact CB-CB 4.29Å; N222-L298 HydrophobicContact CB-CD2 4.23Å; N222-L298 VanDerWaalsContact CB-O 3.29Å; N222-L298 WeakPolarHBondContact CB-O 3.41Å; N222-L298 PolarHBondContact ND2-O 3.15Å; L223-L298 HydrophobicContact CD2-CD1 3.97Å; L223-L298 HydrophobicContact CG-CB 4.45Å; V281-L298 HydrophobicContact CG1-CD1 4.37Å; V281-L298 HydrophobicContact CG2-CD1 3.96Å; I294-L298 HydrophobicContact CD1-CG 4.44Å; I294-L298 HydrophobicContact CG1-CD1 4.19Å; I294-L298 HydrophobicContact CG1-CG 4.38Å; I294-L298 WeakPolarHBondContact O-CB 3.35Å; I294-L298 WeakPolarHBondContact O-CG 3.3Å; I294-L298 PolarHBondContact O-N 3.17Å; I295-L298 PolarHBondContact O-N 3.23Å; I295-L298 VanDerWaalsContact O-N 3.12Å; D296-L298 VanDerWaalsContact C-N 3.34Å; D296-L298 PolarHBondContact O-N 3.35Å; L298-P308 HydrophobicContact CD2-CG 3.55Å; L298-L392 HydrophobicContact CD1-CD1 4.3Å
299	L	98.3	Very high	96.6	Very high	16 Å²	16	55.4 Å²	55.4	8%	0.084	28%	0.275	C	S	.	.	H	α-helix	trans	-79.7	-26.2	175.4	-65.3	175.3	0	0	0	112.4	H218 F220 L223 I295 D296 V301	H218-L299 HydrophobicContact CB-CB 4.44Å; H218-L299 HydrophobicContact CB-CD1 4.28Å; H218-L299 HydrophobicContact CB-CD2 3.78Å; H218-L299 HydrophobicContact CB-CG 4.38Å; F220-L299 HydrophobicContact CD1-CD2 3.84Å; F220-L299 HydrophobicContact CE1-CD2 3.76Å; F220-L299 HydrophobicContact CG-CD2 4.27Å; F220-L299 HydrophobicContact CZ-CD2 4.11Å; L223-L299 HydrophobicContact CD1-CD2 3.62Å; L223-L299 HydrophobicContact CD1-CG 4.27Å; I295-L299 HydrophobicContact CG2-CD1 3.76Å; I295-L299 HydrophobicContact CG2-CG 4.28Å; I295-L299 VanDerWaalsContact O-CG 3.3Å; I295-L299 WeakPolarHBondContact O-CG 3.42Å; I295-L299 PolarHBondContact O-N 2.73Å; D296-L299 PolarHBondContact O-N 2.98Å; L299-V301 PolarHBondContact O-N 3.31Å
300	D	97.6	Very high	96.5	Very high	38 Å²	38	53.7 Å²	53.7	20%	0.203	27%	0.265	C	S	.	.			trans	-76	83.6	172.9	-172	-19.8	0	0	0	110.9	D296 E302 K303 N304	D296-D300 WeakPolarHBondContact O-CB 3.04Å; D296-D300 PolarHBondContact O-N 2.91Å; D300-E302 PolarHBondContact O-N 3.23Å; D300-E302 PolarHBondContact OD1-N 3.22Å; D300-K303 PolarHBondContact O-N 2.91Å; D300-K303 PolarHBondContact OD1-N 2.92Å; D300-K303 VanDerWaalsContact OD2-CD 3.26Å; D300-K303 WeakPolarHBondContact OD2-CD 3.4Å; D300-K303 WeakPolarHBondContact OD2-CE 3.31Å; D300-K303 VanDerWaalsContact OD2-CG 3.28Å; D300-K303 WeakPolarHBondContact OD2-CG 3.39Å; D300-K303 IonicContact OD2-NZ 3.57Å; D300-K303 PolarHBondContact OD2-NZ 2.85Å; D300-N304 WeakPolarHBondContact O-CB 3.45Å; D300-N304 PolarHBondContact O-N 2.95Å
301	V	95.7	Very high	96.3	Very high	31 Å²	31	55.3 Å²	55.3	19%	0.188	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-14.8	180	-63.6	0	0	0	0	113.7	D219 R221 L299 N304 P305	D219-V301 HydrophobicContact CB-CG1 3.88Å; D219-V301 HydrophobicContact CB-CG2 4.12Å; R221-V301 HydrophobicContact CG-CG1 3.71Å; L299-V301 PolarHBondContact O-N 3.31Å; V301-N304 CarbonylContact O-C 3.41Å; V301-P305 WeakPolarHBondContact O-CA 3.48Å; V301-P305 WeakPolarHBondContact O-CB 3.47Å
302	E	95	Very high	96.1	Very high	181 Å²	181	54.1 Å²	54.1	85%	0.846	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-46.8	174.3	-63.8	-174.1	168.7	0	0	110.3	D300	D300-E302 PolarHBondContact O-N 3.23Å; D300-E302 PolarHBondContact OD1-N 3.22Å
303	K	95.9	Very high	96	Very high	154 Å²	154	53.7 Å²	53.7	67%	0.67	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-37.2	175.4	-64.3	-167.3	-167.4	102	0	112.3	D300 P305	D300-K303 PolarHBondContact O-N 2.91Å; D300-K303 PolarHBondContact OD1-N 2.92Å; D300-K303 VanDerWaalsContact OD2-CD 3.26Å; D300-K303 WeakPolarHBondContact OD2-CD 3.4Å; D300-K303 WeakPolarHBondContact OD2-CE 3.31Å; D300-K303 VanDerWaalsContact OD2-CG 3.28Å; D300-K303 WeakPolarHBondContact OD2-CG 3.39Å; D300-K303 IonicContact OD2-NZ 3.57Å; D300-K303 PolarHBondContact OD2-NZ 2.85Å; K303-P305 VanDerWaalsContact C-CD 3.49Å; K303-P305 WeakPolarHBondContact O-CD 3.38Å
304	N	95.7	Very high	95.9	Very high	42 Å²	42	50.6 Å²	50.6	23%	0.225	25%	0.248	C	C	.	.			trans	-124	72.5	-176.1	-60.1	-74	0	0	0	111.4	N222 H297 D300 V301 R306	N222-N304 PolarHBondContact ND2-O 2.83Å; H297-N304 WeakPolarHBondContact O-CB 3.29Å; H297-N304 PolarHBondContact O-ND2 3.37Å; D300-N304 WeakPolarHBondContact O-CB 3.45Å; D300-N304 PolarHBondContact O-N 2.95Å; V301-N304 CarbonylContact O-C 3.41Å; N304-R306 PolarHBondContact O-N 2.88Å; N304-R306 VanDerWaalsContact O-N 3.08Å
305	P	94.4	Very high	95.7	Very high	61 Å²	61	51.9 Å²	51.9	40%	0.396	26%	0.255	S	S	.	.			trans	-71.3	-7.8	-171.6	27.1	-35.9	0	0	0	114.9	V301 K303	V301-P305 WeakPolarHBondContact O-CA 3.48Å; V301-P305 WeakPolarHBondContact O-CB 3.47Å; K303-P305 VanDerWaalsContact C-CD 3.49Å; K303-P305 WeakPolarHBondContact O-CD 3.38Å
306	R	94.3	Very high	95.6	Very high	125 Å²	125	57.4 Å²	57.4	47%	0.472	28%	0.277	S	S	.	.	S	Bend	trans	-126.9	133.3	-174.3	-54.1	-173.6	-53	176.4	5.2	111.8	N222 N304 P308 C397	N222-R306 VanDerWaalsContact OD1-C 3.22Å; N304-R306 PolarHBondContact O-N 2.88Å; N304-R306 VanDerWaalsContact O-N 3.08Å; R306-P308 WeakPolarHBondContact O-CD 3.28Å; R306-C397 HydrophobicContact CB-CB 3.54Å
307	K	94.6	Very high	95.5	Very high	20 Å²	20	54.8 Å²	54.8	9%	0.087	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-63.2	119.6	178.6	179.8	172.7	-177.2	177.4	0	111.3	N222 C224 Y310 C397 C398	N222-K307 WeakPolarHBondContact O-CE 2.98Å; N222-K307 WeakPolarHBondContact OD1-CA 3.33Å; N222-K307 PolarHBondContact OD1-N 2.61Å; C224-K307 WeakPolarHBondContact O-CD 3.47Å; C224-K307 PolarHBondContact O-NZ 3.33Å; K307-Y310 VanDerWaalsContact CE-CE1 3.45Å; K307-Y310 VanDerWaalsContact CE-OH 3.22Å; K307-Y310 WeakPolarHBondContact CE-OH 3.27Å; K307-Y310 HydrophobicContact CG-CE1 4.24Å; K307-Y310 PolarHBondContact NZ-OH 3.05Å; K307-C397 CarbonylContact O-C 3.47Å; K307-C397 VanDerWaalsContact O-CA 3.31Å; K307-C397 WeakPolarHBondContact O-CA 3.2Å; K307-C398 HydrophobicContact CB-CB 4.31Å; K307-C398 PolarHBondContact O-N 3.02Å; K307-C398 PolarHBondContact O-SG 2.81Å
308	P	95.8	Very high	95.5	Very high	5 Å²	5	51.3 Å²	51.3	3%	0.032	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-66	151.9	170.9	26.7	-32	0	0	0	111.2	L298 R306 Y310 L392 R395	L298-P308 HydrophobicContact CD2-CG 3.55Å; R306-P308 WeakPolarHBondContact O-CD 3.28Å; P308-Y310 HydrophobicContact CG-CD1 4.31Å; P308-Y310 HydrophobicContact CG-CE1 4.41Å; P308-Y310 WeakPolarHBondContact O-CD1 3.39Å; P308-Y310 PolarHBondContact O-N 2.72Å; P308-L392 WeakPolarHBondContact CB-O 3.49Å; P308-L392 HydrophobicContact CG-CB 4.45Å; P308-R395 HydrophobicContact CB-CB 4.49Å
309	Q	92.9	Very high	95.5	Very high	106 Å²	106	52.3 Å²	52.3	50%	0.495	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-73.2	120.1	177.5	-74.5	176.9	8.2	0	0	111.7	R395 P396	Q309-R395 WeakPolarHBondContact O-CD 3.45Å; Q309-R395 PolarHBondContact O-NH1 3.08Å; Q309-R395 VanDerWaalsContact O-NH1 3.13Å; Q309-P396 WeakPolarHBondContact CB-O 2.88Å; Q309-P396 VanDerWaalsContact CG-O 3.24Å; Q309-P396 WeakPolarHBondContact CG-O 3.45Å; Q309-P396 PolarHBondContact N-O 2.94Å
310	Y	92.9	Very high	95.5	Very high	28 Å²	28	51.5 Å²	51.5	11%	0.11	25%	0.249	C	C	.	.			trans	-152.2	153	170.5	61.7	-93.9	0	0	0	111.1	N222 L223 C277 A280 K307 P308 L392	N222-Y310 WeakPolarHBondContact O-CE1 3.47Å; N222-Y310 PolarHBondContact O-OH 2.73Å; L223-Y310 WeakPolarHBondContact CA-OH 3.48Å; C277-Y310 HydrophobicContact CB-CE2 3.99Å; C277-Y310 WeakPolarHBondContact CB-OH 3.33Å; A280-Y310 HydrophobicContact CB-CD2 4.35Å; A280-Y310 HydrophobicContact CB-CE2 4.49Å; K307-Y310 VanDerWaalsContact CE-CE1 3.45Å; K307-Y310 VanDerWaalsContact CE-OH 3.22Å; K307-Y310 WeakPolarHBondContact CE-OH 3.27Å; K307-Y310 HydrophobicContact CG-CE1 4.24Å; K307-Y310 PolarHBondContact NZ-OH 3.05Å; P308-Y310 HydrophobicContact CG-CD1 4.31Å; P308-Y310 HydrophobicContact CG-CE1 4.41Å; P308-Y310 WeakPolarHBondContact O-CD1 3.39Å; P308-Y310 PolarHBondContact O-N 2.72Å; Y310-L392 HydrophobicContact CD1-CD2 3.83Å; Y310-L392 HydrophobicContact CG-CD2 4.05Å
311	S	92.2	Very high	95.6	Very high	55 Å²	55	53.1 Å²	53.1	39%	0.385	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-78.5	145.1	174.5	-66.6	0	0	0	0	111.2	A280 V381 E382	A280-S311 VanDerWaalsContact CB-O 3.3Å; A280-S311 WeakPolarHBondContact CB-O 3.24Å; S311-V381 VanDerWaalsContact CB-CG1 3.45Å; S311-E382 WeakPolarHBondContact CB-O 3.24Å; S311-E382 PolarHBondContact OG-O 2.85Å
312	M	94.1	Very high	95.7	Very high	29 Å²	29	54.5 Å²	54.5	14%	0.143	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-82.2	159.8	178.5	-57.1	176.8	-57.4	0	0	110.3	H273 R276 C277 E382	H273-M312 HydrophobicContact CB-CE 4.34Å; H273-M312 HydrophobicContact CB-SD 3.4Å; H273-M312 WeakPolarHBondContact CB-SD 3.14Å; H273-M312 WeakPolarHBondContact ND1-CE 3.37Å; H273-M312 PolarHBondContact ND1-SD 2.85Å; R276-M312 HydrophobicContact CB-CB 4.27Å; C277-M312 VanDerWaalsContact SG-CG 3.6Å; C277-M312 VanDerWaalsContact SG-SD 3.66Å; M312-E382 PolarHBondContact O-N 3.15Å
313	A	96.3	Very high	95.8	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-65.2	149.2	171.7	0	0	0	0	0	109.8	Y195 R276 M279 A280 L283 L380	Y195-A313 HydrophobicContact CE2-CB 3.97Å; R276-A313 PolarHBondContact NE-O 2.67Å; R276-A313 PolarHBondContact NH2-O 3.41Å; R276-A313 WeakPolarHBondContact O-CB 3.19Å; R276-A313 PolarHBondContact O-N 3.1Å; R276-A313 VanDerWaalsContact O-N 3.07Å; M279-A313 HydrophobicContact CB-CB 3.88Å; M279-A313 HydrophobicContact CG-CB 3.91Å; A280-A313 HydrophobicContact CB-CB 4.48Å; L283-A313 HydrophobicContact CD1-CB 4.25Å; A313-L380 CarbonylContact C-O 3.55Å; A313-L380 WeakPolarHBondContact CA-O 3.38Å
314	V	95.6	Very high	95.9	Very high	18 Å²	18	42.4 Å²	42.4	11%	0.109	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-59.2	159.1	179.3	-64.7	0	0	0	0	112	Y195 Y316 P317 L380 E382	Y195-V314 VanDerWaalsContact CE2-O 3.25Å; Y195-V314 WeakPolarHBondContact CE2-O 3.22Å; Y195-V314 VanDerWaalsContact OH-CG2 3.27Å; Y195-V314 WeakPolarHBondContact OH-CG2 3.45Å; Y195-V314 PolarHBondContact OH-N 3.28Å; Y195-V314 PolarHBondContact OH-O 3.43Å; Y195-V314 VanDerWaalsContact OH-O 3.07Å; V314-Y316 HydrophobicContact CB-CD1 4.2Å; V314-Y316 HydrophobicContact CB-CE1 4.06Å; V314-Y316 HydrophobicContact CG2-CD1 3.97Å; V314-Y316 HydrophobicContact CG2-CE1 3.51Å; V314-P317 HydrophobicContact CG2-CG 3.86Å; V314-L380 HydrophobicContact CG2-CB 4.12Å; V314-L380 HydrophobicContact CG2-CD2 3.65Å; V314-L380 PolarHBondContact N-O 3.41Å; V314-E382 HydrophobicContact CG1-CG 4.18Å
315	D	95.4	Very high	95.9	Very high	34 Å²	34	41.2 Å²	41.2	18%	0.182	20%	0.198	C	C	.	.	S	Bend	trans	-84.4	-44.5	-169.1	50.7	-0.5	0	0	0	114.5	K113 V115 P317 L318	K113-D315 WeakPolarHBondContact O-CB 3.17Å; V115-D315 HydrophobicContact CG2-CB 4.14Å; D315-P317 VanDerWaalsContact C-N 3.33Å; D315-P317 WeakPolarHBondContact O-CD 3.3Å; D315-P317 VanDerWaalsContact O-N 3.14Å; D315-L318 WeakPolarHBondContact O-CB 3.22Å; D315-L318 PolarHBondContact O-N 3.44Å
316	Y	95.1	Very high	95.9	Very high	116 Å²	116	43 Å²	43	46%	0.455	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-25.5	-170.6	75.1	-93.7	0	0	0	117.2	W68 V314 L380	W68-Y316 PolarHBondContact NE1-O 3.09Å; W68-Y316 VanDerWaalsContact NE1-O 3.1Å; V314-Y316 HydrophobicContact CB-CD1 4.2Å; V314-Y316 HydrophobicContact CB-CE1 4.06Å; V314-Y316 HydrophobicContact CG2-CD1 3.97Å; V314-Y316 HydrophobicContact CG2-CE1 3.51Å; Y316-L380 VanDerWaalsContact OH-CD2 3.31Å; Y316-L380 WeakPolarHBondContact OH-CD2 3.27Å
317	P	97	Very high	95.8	Very high	9 Å²	9	40.7 Å²	40.7	6%	0.058	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-8	176.5	-6.8	25.3	0	0	0	114	Y195 Y196 V314 D315 L380	Y195-P317 WeakPolarHBondContact CA-O 3.43Å; Y195-P317 HydrophobicContact CD1-CB 4.15Å; Y195-P317 HydrophobicContact CE1-CB 3.8Å; Y195-P317 HydrophobicContact CE1-CG 3.94Å; Y195-P317 HydrophobicContact CE2-CB 4.26Å; Y195-P317 HydrophobicContact CE2-CG 4.29Å; Y196-P317 WeakPolarHBondContact CD2-O 3.41Å; Y196-P317 PolarHBondContact N-O 2.92Å; Y196-P317 VanDerWaalsContact N-O 3.11Å; Y196-P317 WeakPolarHBondContact O-CB 3.43Å; V314-P317 HydrophobicContact CG2-CG 3.86Å; D315-P317 VanDerWaalsContact C-N 3.33Å; D315-P317 WeakPolarHBondContact O-CD 3.3Å; D315-P317 VanDerWaalsContact O-N 3.14Å; P317-L380 HydrophobicContact CG-CD2 4.18Å
318	L	98.5	Very high	95.8	Very high	9 Å²	9	40.8 Å²	40.8	5%	0.047	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	133.6	178.4	-176.5	62	0	0	0	110.5	V115 S116 Y193 R194 Y195 V275 R276 D315	V115-L318 HydrophobicContact CG1-CB 4.11Å; V115-L318 HydrophobicContact CG1-CD2 4.05Å; V115-L318 HydrophobicContact CG1-CG 3.88Å; V115-L318 WeakPolarHBondContact CG1-O 3.42Å; V115-L318 HydrophobicContact CG2-CB 4.24Å; V115-L318 HydrophobicContact CG2-CD2 4.05Å; V115-L318 HydrophobicContact CG2-CG 4.45Å; S116-L318 PolarHBondContact N-O 2.83Å; Y193-L318 HydrophobicContact CD1-CD1 3.76Å; Y193-L318 HydrophobicContact CD1-CD2 4.39Å; Y193-L318 HydrophobicContact CD1-CG 4.06Å; Y193-L318 HydrophobicContact CG-CD1 4.28Å; R194-L318 CarbonylContact O-C 3.46Å; R194-L318 WeakPolarHBondContact O-CA 3.48Å; Y195-L318 HydrophobicContact CD2-CB 3.88Å; Y195-L318 HydrophobicContact CD2-CD1 4.14Å; Y195-L318 HydrophobicContact CE2-CB 4.29Å; V275-L318 HydrophobicContact CB-CD1 4.29Å; V275-L318 HydrophobicContact CB-CD2 4.4Å; V275-L318 HydrophobicContact CG1-CD1 3.62Å; R276-L318 HydrophobicContact CG-CD2 3.74Å; D315-L318 WeakPolarHBondContact O-CB 3.22Å; D315-L318 PolarHBondContact O-N 3.44Å
319	V	98.6	Very high	95.9	Very high	21 Å²	21	46 Å²	46	13%	0.127	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	125.6	179	-171.3	0	0	0	0	109.7	S116 F118 Y193 R194 Y196 Y321	S116-V319 VanDerWaalsContact O-CA 3.31Å; S116-V319 WeakPolarHBondContact O-CA 3.04Å; F118-V319 HydrophobicContact CB-CG1 4.42Å; Y193-V319 VanDerWaalsContact CA-O 3.3Å; Y193-V319 WeakPolarHBondContact CA-O 3.17Å; R194-V319 PolarHBondContact N-O 2.86Å; R194-V319 PolarHBondContact O-N 3.29Å; Y196-V319 HydrophobicContact CD2-CG2 4.06Å; Y196-V319 HydrophobicContact CE2-CB 4.34Å; Y196-V319 HydrophobicContact CE2-CG2 3.7Å; V319-Y321 PolarHBondContact O-N 2.84Å; V319-Y321 VanDerWaalsContact O-N 3.09Å
320	L	98.6	Very high	96	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	99.9	160.7	172.9	58.3	0	0	0	107.8	T111 S116 A117 F118 Q120 R191 Y193	T111-L320 HydrophobicContact CG2-CB 3.94Å; T111-L320 HydrophobicContact CG2-CD2 4.19Å; S116-L320 PolarHBondContact O-N 2.81Å; A117-L320 CarbonylContact C-O 3.58Å; A117-L320 VanDerWaalsContact CA-O 3.32Å; A117-L320 WeakPolarHBondContact CA-O 3.38Å; A117-L320 HydrophobicContact CB-CB 3.9Å; A117-L320 HydrophobicContact CB-CG 4.47Å; F118-L320 PolarHBondContact N-O 2.88Å; Q120-L320 HydrophobicContact CB-CD2 4.3Å; R191-L320 HydrophobicContact CB-CD1 4.16Å; R191-L320 HydrophobicContact CG-CD1 4.43Å; Y193-L320 HydrophobicContact CD1-CB 4.18Å; Y193-L320 HydrophobicContact CD2-CD1 4.37Å; Y193-L320 HydrophobicContact CE1-CB 3.69Å; Y193-L320 HydrophobicContact CE1-CD1 4.04Å; Y193-L320 HydrophobicContact CE1-CG 4.42Å; Y193-L320 HydrophobicContact CE2-CD1 3.87Å
321	Y	98.1	Very high	96.1	Very high	72 Å²	72	47.2 Å²	47.2	28%	0.282	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	-44.3	-167.4	-168.4	-96.5	0	0	0	112.4	F118 S119 T192 R194 V319	F118-Y321 HydrophobicContact CB-CD2 4.35Å; F118-Y321 HydrophobicContact CD1-CE2 4.25Å; S119-Y321 WeakPolarHBondContact CB-O 3.11Å; T192-Y321 WeakPolarHBondContact O-CA 3.18Å; T192-Y321 WeakPolarHBondContact O-CB 3.17Å; T192-Y321 PolarHBondContact O-N 3.07Å; R194-Y321 HydrophobicContact CG-CD2 4.32Å; R194-Y321 HydrophobicContact CG-CG 4.11Å; R194-Y321 VanDerWaalsContact CZ-CE1 3.45Å; R194-Y321 VanDerWaalsContact CZ-CZ 3.47Å; R194-Y321 PolarHBondContact NH1-OH 2.8Å; V319-Y321 PolarHBondContact O-N 2.84Å; V319-Y321 VanDerWaalsContact O-N 3.09Å
322	D	97.8	Very high	96.2	Very high	59 Å²	59	49.9 Å²	49.9	32%	0.316	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	149.2	-179.5	-167.8	45	0	0	0	112.9	R191 T192	R191-D322 CarbonylContact C-O 3.55Å; R191-D322 WeakPolarHBondContact CA-O 3.39Å; T192-D322 PolarHBondContact N-O 3.06Å; T192-D322 PolarHBondContact O-N 3.34Å; T192-D322 VanDerWaalsContact O-N 3.15Å
323	C	97.8	Very high	95.9	Very high	4 Å²	4	51 Å²	51	3%	0.027	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	117.3	171.5	-62.6	0	0	0	0	108	C108 S119 V121 F325	C108-C323 PolarHBondContact SG-SG 2.83Å; S119-C323 PolarHBondContact O-SG 2.86Å; V121-C323 HydrophobicContact CG2-CB 4.17Å; C323-F325 HydrophobicContact CB-CD2 4.32Å; C323-F325 HydrophobicContact CB-CE2 3.57Å; C323-F325 HydrophobicContact CB-CZ 4.34Å; C323-F325 WeakPolarHBondContact O-CD2 3.42Å
324	H	97.3	Very high	95.7	Very high	78 Å²	78	54.8 Å²	54.8	36%	0.361	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	132.5	-176.8	-175.7	55	0	0	0	111.6	C188 Q189 S190 D326	C188-H324 PolarHBondContact SG-O 3.46Å; Q189-H324 PolarHBondContact N-O 3.38Å; S190-H324 PolarHBondContact O-N 2.99Å; S190-H324 WeakPolarHBondContact OG-CB 3.26Å; H324-D326 IonicContact CE1-OD1 3.69Å; H324-D326 IonicContact NE2-OD1 2.69Å
325	F	97.3	Very high	95.6	Very high	17 Å²	17	58.9 Å²	58.9	8%	0.075	32%	0.317	C	S	.	.			trans	-139.2	142.5	178.4	-63.9	-88.6	0	0	0	109.3	C108 V121 F182 A184 C188 C323 L328	C108-F325 HydrophobicContact CB-CZ 4.07Å; V121-F325 HydrophobicContact CB-CE2 3.62Å; V121-F325 HydrophobicContact CB-CZ 3.95Å; V121-F325 HydrophobicContact CG1-CD2 4.49Å; V121-F325 HydrophobicContact CG1-CE2 3.73Å; V121-F325 HydrophobicContact CG1-CZ 3.9Å; V121-F325 HydrophobicContact CG2-CD2 4.41Å; V121-F325 HydrophobicContact CG2-CE2 3.7Å; F182-F325 HydrophobicContact CE1-CD1 4.21Å; F182-F325 HydrophobicContact CE1-CE1 4.46Å; F182-F325 HydrophobicContact CE2-CD1 4.42Å; F182-F325 HydrophobicContact CZ-CB 4.24Å; F182-F325 AromaticContact CZ-CD1 3.52Å; F182-F325 HydrophobicContact CZ-CD1 3.52Å; F182-F325 HydrophobicContact CZ-CE1 4.16Å; F182-F325 HydrophobicContact CZ-CG 4.14Å; A184-F325 HydrophobicContact CB-CE1 4.5Å; A184-F325 HydrophobicContact CB-CZ 4.29Å; A184-F325 WeakPolarHBondContact O-CE1 3.28Å; A184-F325 WeakPolarHBondContact O-CZ 3.49Å; C188-F325 HydrophobicContact CB-CD1 3.99Å; C188-F325 HydrophobicContact CB-CE1 3.3Å; C188-F325 HydrophobicContact CB-CE2 4.35Å; C188-F325 HydrophobicContact CB-CZ 3.51Å; C323-F325 HydrophobicContact CB-CD2 4.32Å; C323-F325 HydrophobicContact CB-CE2 3.57Å; C323-F325 HydrophobicContact CB-CZ 4.34Å; C323-F325 WeakPolarHBondContact O-CD2 3.42Å; F325-L328 HydrophobicContact CB-CD1 3.73Å; F325-L328 HydrophobicContact CB-CG 4.11Å; F325-L328 HydrophobicContact CD2-CD1 4.26Å; F325-L328 HydrophobicContact CG-CD1 3.94Å
326	D	94.8	Very high	95.6	Very high	97 Å²	97	58 Å²	58	52%	0.519	31%	0.311	S	S	.	.	S	Bend	trans	-89.6	156.5	169.5	-64.5	-36.4	0	0	0	110.5	H324 L328	H324-D326 IonicContact CE1-OD1 3.69Å; H324-D326 IonicContact NE2-OD1 2.69Å; D326-L328 PolarHBondContact O-N 3.41Å; D326-L328 VanDerWaalsContact O-N 3.14Å
327	G	90.8	Very high	95.4	Very high	78 Å²	78	55.3 Å²	55.3	80%	0.804	31%	0.307	S	S	*	.	S	Bend	trans	74.4	-2.8	173.9	0	0	0	0	0	116.4
328	L	96	Very high	95.3	Very high	22 Å²	22	58 Å²	58	12%	0.115	33%	0.326	C	S	.	.			trans	-91.9	123	176.7	-64.8	-173.8	0	0	0	112.4	A60 A176 A178 F182 F325 D326 W330	A60-L328 HydrophobicContact CB-CD1 3.73Å; A60-L328 HydrophobicContact CB-CD2 4.23Å; A176-L328 HydrophobicContact CB-CB 4.12Å; A176-L328 HydrophobicContact CB-CD2 4.19Å; A178-L328 HydrophobicContact CB-CD2 4.13Å; F182-L328 HydrophobicContact CD1-CD2 4.43Å; F182-L328 HydrophobicContact CE1-CD1 3.9Å; F182-L328 HydrophobicContact CE1-CD2 3.93Å; F182-L328 HydrophobicContact CE1-CG 4.23Å; F182-L328 HydrophobicContact CE2-CD2 4.26Å; F182-L328 HydrophobicContact CE2-CG 4.36Å; F182-L328 HydrophobicContact CZ-CD1 3.7Å; F182-L328 HydrophobicContact CZ-CD2 3.82Å; F182-L328 HydrophobicContact CZ-CG 3.77Å; F325-L328 HydrophobicContact CB-CD1 3.73Å; F325-L328 HydrophobicContact CB-CG 4.11Å; F325-L328 HydrophobicContact CD2-CD1 4.26Å; F325-L328 HydrophobicContact CG-CD1 3.94Å; D326-L328 PolarHBondContact O-N 3.41Å; D326-L328 VanDerWaalsContact O-N 3.14Å; L328-W330 HydrophobicContact CD1-CH2 4.13Å; L328-W330 HydrophobicContact CD1-CZ2 3.76Å
329	T	96.4	Very high	95.1	Very high	114 Å²	114	62.6 Å²	62.6	70%	0.699	35%	0.347	S	S	*	.			trans	-100.5	102.6	170.7	-57.8	0	0	0	0	110	A176 Q331	A176-T329 VanDerWaalsContact CB-O 3.27Å; A176-T329 WeakPolarHBondContact CB-O 3.22Å; T329-Q331 PolarHBondContact O-N 3.43Å
330	W	96.3	Very high	94.8	Very high	71 Å²	71	62.1 Å²	62.1	27%	0.269	34%	0.344	S	S	.	.			trans	-71.8	124.2	-176.8	-65.3	101.7	0	0	0	112.4	A60 K62 V121 A176 L328	A60-W330 HydrophobicContact CB-CH2 4.04Å; A60-W330 HydrophobicContact CB-CZ3 4.31Å; K62-W330 HydrophobicContact CB-CE3 4.06Å; K62-W330 HydrophobicContact CB-CH2 3.86Å; K62-W330 HydrophobicContact CB-CZ3 3.53Å; K62-W330 VanDerWaalsContact CE-CE2 3.47Å; K62-W330 VanDerWaalsContact CE-CZ2 3.5Å; V121-W330 HydrophobicContact CG1-CH2 4.01Å; V121-W330 HydrophobicContact CG2-CH2 3.91Å; V121-W330 HydrophobicContact CG2-CZ2 4.19Å; A176-W330 HydrophobicContact CB-CD2 4.37Å; A176-W330 HydrophobicContact CB-CE3 4.07Å; A176-W330 HydrophobicContact CB-CZ3 4.34Å; L328-W330 HydrophobicContact CD1-CH2 4.13Å; L328-W330 HydrophobicContact CD1-CZ2 3.76Å
331	Q	94.7	Very high	94.6	Very high	89 Å²	89	66.5 Å²	66.5	42%	0.416	37%	0.367	S	S	.	.	B	Isolated β-bridge	trans	-97.2	127.4	169.7	-54.6	-171.2	7.7	0	0	109.4	G174 W175 T329	G174-Q331 WeakPolarHBondContact CA-O 3.31Å; W175-Q331 VanDerWaalsContact CE2-OE1 3.24Å; W175-Q331 PolarHBondContact N-O 2.98Å; W175-Q331 WeakPolarHBondContact O-CA 3.29Å; W175-Q331 WeakPolarHBondContact O-CB 3.27Å; W175-Q331 PolarHBondContact O-N 2.96Å; T329-Q331 PolarHBondContact O-N 3.43Å
332	Q	93.2	Very high	94.4	Very high	110 Å²	110	65.9 Å²	65.9	51%	0.514	37%	0.374	S	S	.	.			trans	-130.2	137.2	176.7	-62.2	-172.9	-9.9	0	0	109.5	L173 V337	L173-Q332 WeakPolarHBondContact O-CG 3.31Å; Q332-V337 HydrophobicContact CB-CG2 4.14Å
333	E	89.4	Confident	94.1	Very high	54 Å²	54	63.9 Å²	63.9	25%	0.252	36%	0.364	S	S	.	.			trans	-93.8	118.3	175.1	-65.1	174.6	-116.7	0	0	108.3	E335 E336 V337	E333-E335 PolarHBondContact O-N 3.05Å; E333-E336 HydrophobicContact CB-CB 4.11Å; E333-E336 HydrophobicContact CB-CG 3.88Å; E333-E336 PolarHBondContact O-N 3.03Å; E333-V337 PolarHBondContact O-N 2.8Å
334	A	91.9	Very high	93.8	Very high	78 Å²	78	67.1 Å²	67.1	65%	0.645	38%	0.381	S	S	*	.	H	α-helix	trans	-59.2	-34.3	-173.8	0	0	0	0	0	113.5	S338	A334-S338 WeakPolarHBondContact O-CB 3.24Å; A334-S338 PolarHBondContact O-N 2.65Å; A334-S338 PolarHBondContact O-OG 2.93Å
335	E	93.5	Very high	93.7	Very high	104 Å²	104	68.3 Å²	68.3	49%	0.486	39%	0.386	S	S	.	.	H	α-helix	trans	-61.2	-47.2	174	-171.4	-174	-168	0	0	110.7	K160 E333 S338 H339	K160-E335 IonicContact NZ-OE1 3.66Å; K160-E335 IonicContact NZ-OE2 2.91Å; K160-E335 PolarHBondContact NZ-OE2 3.14Å; E333-E335 PolarHBondContact O-N 3.05Å; E335-S338 WeakPolarHBondContact O-CB 3.41Å; E335-S338 PolarHBondContact O-N 2.91Å; E335-H339 PolarHBondContact O-CD2 3.37Å; E335-H339 VanDerWaalsContact O-CD2 3.22Å; E335-H339 PolarHBondContact O-N 3.38Å; E335-H339 IonicContact OE1-NE2 2.84Å
336	E	93.7	Very high	93.6	Very high	15 Å²	15	74.2 Å²	74.2	7%	0.07	41%	0.408	C	S	.	.	H	α-helix	trans	-66.6	-41.7	179.5	-63.7	-62.1	134.2	0	0	111.7	V159 K160 N163 E333 S338 H339 V340	V159-E336 HydrophobicContact CB-CG 4.47Å; V159-E336 HydrophobicContact CG1-CB 3.84Å; V159-E336 HydrophobicContact CG1-CG 3.94Å; K160-E336 HydrophobicContact CB-CG 4.21Å; K160-E336 VanDerWaalsContact CG-OE1 3.27Å; K160-E336 WeakPolarHBondContact CG-OE1 3.32Å; N163-E336 PolarHBondContact ND2-OE2 2.94Å; E333-E336 HydrophobicContact CB-CB 4.11Å; E333-E336 HydrophobicContact CB-CG 3.88Å; E333-E336 PolarHBondContact O-N 3.03Å; E336-S338 VanDerWaalsContact C-N 3.28Å; E336-S338 PolarHBondContact O-N 3.36Å; E336-H339 PolarHBondContact O-N 3.12Å; E336-V340 WeakPolarHBondContact O-CG2 3.36Å; E336-V340 PolarHBondContact O-N 2.97Å
337	V	92.6	Very high	93.4	Very high	60 Å²	60	72.2 Å²	72.2	36%	0.364	40%	0.396	S	S	.	.	H	α-helix	trans	-59.3	-42.4	174	175.1	0	0	0	0	110.7	Q332 E333 H339 V340 L341	Q332-V337 HydrophobicContact CB-CG2 4.14Å; E333-V337 PolarHBondContact O-N 2.8Å; V337-H339 VanDerWaalsContact C-N 3.35Å; V337-H339 PolarHBondContact O-N 3.09Å; V337-V340 PolarHBondContact O-N 3.33Å; V337-L341 WeakPolarHBondContact O-CB 3.26Å; V337-L341 PolarHBondContact O-N 2.93Å
338	S	95	Very high	93.6	Very high	66 Å²	66	77.1 Å²	77.1	46%	0.462	39%	0.39	S	S	.	.	H	α-helix	trans	-64.2	-38.8	177.8	-59.4	0	0	0	0	112.1	A334 E335 E336 L341 S342	A334-S338 WeakPolarHBondContact O-CB 3.24Å; A334-S338 PolarHBondContact O-N 2.65Å; A334-S338 PolarHBondContact O-OG 2.93Å; E335-S338 WeakPolarHBondContact O-CB 3.41Å; E335-S338 PolarHBondContact O-N 2.91Å; E336-S338 VanDerWaalsContact C-N 3.28Å; E336-S338 PolarHBondContact O-N 3.36Å; S338-L341 PolarHBondContact O-N 3.02Å; S338-S342 WeakPolarHBondContact O-CB 3.41Å; S338-S342 PolarHBondContact O-N 3.28Å; S338-S342 PolarHBondContact O-OG 3.37Å
339	H	93.4	Very high	93.6	Very high	105 Å²	105	79.5 Å²	79.5	49%	0.486	41%	0.405	S	S	.	.	H	α-helix	trans	-66.1	-43.6	174.2	-71.7	-44.2	0	0	0	112.7	E335 E336 V337 S342 S343	E335-H339 PolarHBondContact O-CD2 3.37Å; E335-H339 VanDerWaalsContact O-CD2 3.22Å; E335-H339 PolarHBondContact O-N 3.38Å; E335-H339 IonicContact OE1-NE2 2.84Å; E336-H339 PolarHBondContact O-N 3.12Å; V337-H339 VanDerWaalsContact C-N 3.35Å; V337-H339 PolarHBondContact O-N 3.09Å; H339-S342 PolarHBondContact O-N 2.99Å; H339-S343 PolarHBondContact O-N 3.28Å
340	V	92.6	Very high	93.5	Very high	11 Å²	11	78.9 Å²	78.9	7%	0.067	39%	0.394	C	S	.	.	H	α-helix	trans	-61	-47.4	175	174.3	0	0	0	0	110.2	R171 L173 E336 V337 S342 S343 L344	R171-V340 HydrophobicContact CB-CG1 4.41Å; R171-V340 HydrophobicContact CB-CG2 3.95Å; R171-V340 HydrophobicContact CG-CG1 4.41Å; R171-V340 HydrophobicContact CG-CG2 3.94Å; L173-V340 HydrophobicContact CD2-CG1 3.87Å; L173-V340 HydrophobicContact CD2-CG2 4.42Å; E336-V340 WeakPolarHBondContact O-CG2 3.36Å; E336-V340 PolarHBondContact O-N 2.97Å; V337-V340 PolarHBondContact O-N 3.33Å; V340-S342 PolarHBondContact O-N 3.24Å; V340-S343 WeakPolarHBondContact O-CB 3.49Å; V340-S343 PolarHBondContact O-N 3.18Å; V340-L344 HydrophobicContact CG1-CD1 4Å; V340-L344 HydrophobicContact CG1-CG 4.4Å; V340-L344 WeakPolarHBondContact O-CG 3.49Å; V340-L344 PolarHBondContact O-N 2.95Å
341	L	94.6	Very high	93.3	Very high	93 Å²	93	78.2 Å²	78.2	49%	0.487	40%	0.401	S	S	.	.	H	α-helix	trans	-59	-46.4	178.6	-177.2	62.6	0	0	0	111.6	V337 S338 S343 L344 Q345	V337-L341 WeakPolarHBondContact O-CB 3.26Å; V337-L341 PolarHBondContact O-N 2.93Å; S338-L341 PolarHBondContact O-N 3.02Å; L341-S343 VanDerWaalsContact C-N 3.3Å; L341-S343 PolarHBondContact O-N 2.84Å; L341-L344 PolarHBondContact O-N 3.29Å; L341-Q345 HydrophobicContact CD1-CG 4.38Å; L341-Q345 HydrophobicContact CG-CG 4.42Å; L341-Q345 WeakPolarHBondContact O-CB 3.43Å; L341-Q345 VanDerWaalsContact O-CG 3.29Å; L341-Q345 WeakPolarHBondContact O-CG 3.21Å; L341-Q345 PolarHBondContact O-N 3.39Å
342	S	94.3	Very high	93.3	Very high	59 Å²	59	74.9 Å²	74.9	41%	0.413	39%	0.388	S	S	.	.	H	α-helix	trans	-60.5	-39.3	177.4	-60	0	0	0	0	112.1	S338 H339 V340 R346	S338-S342 WeakPolarHBondContact O-CB 3.41Å; S338-S342 PolarHBondContact O-N 3.28Å; S338-S342 PolarHBondContact O-OG 3.37Å; H339-S342 PolarHBondContact O-N 2.99Å; V340-S342 PolarHBondContact O-N 3.24Å; S342-R346 PolarHBondContact O-N 3.37Å; S342-R346 VanDerWaalsContact O-N 3.08Å
343	S	91	Very high	93.4	Very high	16 Å²	16	73.8 Å²	73.8	11%	0.112	39%	0.389	C	S	.	.	H	α-helix	trans	-64.9	-45.7	175.7	-171.6	0	0	0	0	111.7	H339 V340 L341 R346 H347	H339-S343 PolarHBondContact O-N 3.28Å; V340-S343 WeakPolarHBondContact O-CB 3.49Å; V340-S343 PolarHBondContact O-N 3.18Å; L341-S343 VanDerWaalsContact C-N 3.3Å; L341-S343 PolarHBondContact O-N 2.84Å; S343-R346 WeakPolarHBondContact O-CB 3.39Å; S343-R346 PolarHBondContact O-N 2.79Å; S343-H347 PolarHBondContact O-N 3.28Å; S343-H347 VanDerWaalsContact O-N 3.09Å; S343-H347 PolarHBondContact O-ND1 3.15Å
344	L	92.1	Very high	93.8	Very high	72 Å²	72	77.8 Å²	77.8	38%	0.377	41%	0.406	S	S	.	.	H	α-helix	trans	-65.3	-41.4	178.1	-69.3	174.7	0	0	0	111.8	V340 L341 R346 H347 W348	V340-L344 HydrophobicContact CG1-CD1 4Å; V340-L344 HydrophobicContact CG1-CG 4.4Å; V340-L344 WeakPolarHBondContact O-CG 3.49Å; V340-L344 PolarHBondContact O-N 2.95Å; L341-L344 PolarHBondContact O-N 3.29Å; L344-R346 VanDerWaalsContact C-N 3.3Å; L344-R346 PolarHBondContact O-N 3.28Å; L344-H347 PolarHBondContact O-N 3.13Å; L344-W348 WeakPolarHBondContact O-CB 3.36Å; L344-W348 PolarHBondContact O-N 3.21Å
345	Q	95.2	Very high	93.8	Very high	103 Å²	103	76.7 Å²	76.7	48%	0.481	40%	0.396	S	S	.	.	H	α-helix	trans	-60.2	-39.9	175	-76.5	172.3	-23.7	0	0	111.9	L341 W348 T349	L341-Q345 HydrophobicContact CD1-CG 4.38Å; L341-Q345 HydrophobicContact CG-CG 4.42Å; L341-Q345 WeakPolarHBondContact O-CB 3.43Å; L341-Q345 VanDerWaalsContact O-CG 3.29Å; L341-Q345 WeakPolarHBondContact O-CG 3.21Å; L341-Q345 PolarHBondContact O-N 3.39Å; Q345-W348 PolarHBondContact O-N 3Å; Q345-T349 WeakPolarHBondContact O-CB 3.21Å; Q345-T349 PolarHBondContact O-N 3.18Å; Q345-T349 PolarHBondContact O-OG1 3.13Å
346	R	93.4	Very high	93.7	Very high	142 Å²	142	77.8 Å²	77.8	54%	0.536	40%	0.401	S	S	.	.	H	α-helix	trans	-63	-49	175	-174.3	-177.1	-59.9	162.7	1.9	111.6	S342 S343 L344 W348 T349 Q350	S342-R346 PolarHBondContact O-N 3.37Å; S342-R346 VanDerWaalsContact O-N 3.08Å; S343-R346 WeakPolarHBondContact O-CB 3.39Å; S343-R346 PolarHBondContact O-N 2.79Å; L344-R346 VanDerWaalsContact C-N 3.3Å; L344-R346 PolarHBondContact O-N 3.28Å; R346-W348 VanDerWaalsContact C-N 3.34Å; R346-W348 PolarHBondContact O-N 2.95Å; R346-T349 PolarHBondContact O-N 2.97Å; R346-Q350 WeakPolarHBondContact O-CG 3.48Å; R346-Q350 PolarHBondContact O-N 3.12Å
347	H	91.4	Very high	93.8	Very high	55 Å²	55	80.8 Å²	80.8	26%	0.255	42%	0.42	S	S	.	.	H	α-helix	trans	-61.6	-42.7	177.5	-77.1	85.2	0	0	0	112	S343 L344 S351	S343-H347 PolarHBondContact O-N 3.28Å; S343-H347 VanDerWaalsContact O-N 3.09Å; S343-H347 PolarHBondContact O-ND1 3.15Å; L344-H347 PolarHBondContact O-N 3.13Å; H347-S351 WeakPolarHBondContact O-CB 3.34Å; H347-S351 PolarHBondContact O-N 3.14Å; H347-S351 PolarHBondContact O-OG 2.79Å
348	W	94.4	Very high	93.8	Very high	181 Å²	181	82.9 Å²	82.9	69%	0.686	43%	0.429	S	S	*	.	H	α-helix	trans	-60.8	-49.5	175	177	84.6	0	0	0	111	L344 Q345 R346 Q350 S351 A352	L344-W348 WeakPolarHBondContact O-CB 3.36Å; L344-W348 PolarHBondContact O-N 3.21Å; Q345-W348 PolarHBondContact O-N 3Å; R346-W348 VanDerWaalsContact C-N 3.34Å; R346-W348 PolarHBondContact O-N 2.95Å; W348-Q350 PolarHBondContact O-N 2.91Å; W348-S351 PolarHBondContact O-N 3.36Å; W348-S351 VanDerWaalsContact O-N 3.14Å; W348-A352 HydrophobicContact CD2-CB 4.45Å; W348-A352 HydrophobicContact CH2-CB 4.49Å; W348-A352 HydrophobicContact CZ2-CB 4.26Å; W348-A352 VanDerWaalsContact O-CB 3.25Å; W348-A352 WeakPolarHBondContact O-CB 3.35Å; W348-A352 PolarHBondContact O-N 3.24Å
349	T	95.8	Very high	93.5	Very high	71 Å²	71	81.4 Å²	81.4	44%	0.436	42%	0.416	S	S	.	.	H	α-helix	trans	-58.5	-47.6	-179.2	-58.2	0	0	0	0	111	Q345 R346 S351 A352 V353	Q345-T349 WeakPolarHBondContact O-CB 3.21Å; Q345-T349 PolarHBondContact O-N 3.18Å; Q345-T349 PolarHBondContact O-OG1 3.13Å; R346-T349 PolarHBondContact O-N 2.97Å; T349-S351 VanDerWaalsContact C-N 3.34Å; T349-S351 PolarHBondContact O-N 3.45Å; T349-A352 PolarHBondContact O-N 3.07Å; T349-V353 WeakPolarHBondContact O-CB 3.49Å; T349-V353 VanDerWaalsContact O-CG2 3.3Å; T349-V353 WeakPolarHBondContact O-CG2 3.36Å; T349-V353 PolarHBondContact O-N 3.28Å
350	Q	94.4	Very high	93.4	Very high	101 Å²	101	78.5 Å²	78.5	47%	0.472	42%	0.415	S	S	.	.	H	α-helix	trans	-61.3	-43	177.2	-71.4	177.5	-10.3	0	0	112.2	R346 W348 K354	R346-Q350 WeakPolarHBondContact O-CG 3.48Å; R346-Q350 PolarHBondContact O-N 3.12Å; W348-Q350 PolarHBondContact O-N 2.91Å; Q350-K354 WeakPolarHBondContact O-CB 3.49Å; Q350-K354 VanDerWaalsContact O-CG 3.24Å; Q350-K354 WeakPolarHBondContact O-CG 3.32Å; Q350-K354 PolarHBondContact O-N 2.56Å; Q350-K354 VanDerWaalsContact O-N 3.08Å
351	S	93.5	Very high	93.4	Very high	57 Å²	57	83.6 Å²	83.6	40%	0.399	44%	0.439	S	S	.	.	H	α-helix	trans	-69.3	-41.4	-179.7	-55.8	0	0	0	0	111.6	H347 W348 T349 K354 A355	H347-S351 WeakPolarHBondContact O-CB 3.34Å; H347-S351 PolarHBondContact O-N 3.14Å; H347-S351 PolarHBondContact O-OG 2.79Å; W348-S351 PolarHBondContact O-N 3.36Å; W348-S351 VanDerWaalsContact O-N 3.14Å; T349-S351 VanDerWaalsContact C-N 3.34Å; T349-S351 PolarHBondContact O-N 3.45Å; S351-K354 PolarHBondContact O-N 2.87Å; S351-A355 VanDerWaalsContact O-CB 3.31Å; S351-A355 WeakPolarHBondContact O-CB 3.19Å; S351-A355 PolarHBondContact O-N 3.48Å
352	A	93.4	Very high	93	Very high	19 Å²	19	82.2 Å²	82.2	16%	0.157	43%	0.431	C	S	.	.	H	α-helix	trans	-63.3	-46.8	177.3	0	0	0	0	0	111.1	W348 T349 K354 A355 H356	W348-A352 HydrophobicContact CD2-CB 4.45Å; W348-A352 HydrophobicContact CH2-CB 4.49Å; W348-A352 HydrophobicContact CZ2-CB 4.26Å; W348-A352 VanDerWaalsContact O-CB 3.25Å; W348-A352 WeakPolarHBondContact O-CB 3.35Å; W348-A352 PolarHBondContact O-N 3.24Å; T349-A352 PolarHBondContact O-N 3.07Å; A352-K354 PolarHBondContact O-N 3.26Å; A352-A355 PolarHBondContact O-N 3.09Å; A352-H356 PolarHBondContact O-N 3.25Å; A352-H356 PolarHBondContact O-ND1 3.1Å
353	V	96.6	Very high	92.6	Very high	87 Å²	87	84.8 Å²	84.8	53%	0.527	43%	0.432	S	S	.	.	H	α-helix	trans	-60.1	-48.1	175.9	170.7	0	0	0	0	110.8	T349 A355 H356 V357	T349-V353 WeakPolarHBondContact O-CB 3.49Å; T349-V353 VanDerWaalsContact O-CG2 3.3Å; T349-V353 WeakPolarHBondContact O-CG2 3.36Å; T349-V353 PolarHBondContact O-N 3.28Å; V353-A355 VanDerWaalsContact C-N 3.33Å; V353-A355 PolarHBondContact O-N 3.38Å; V353-H356 PolarHBondContact O-N 3.02Å; V353-V357 HydrophobicContact CG1-CG2 4.45Å; V353-V357 WeakPolarHBondContact O-CG2 3.36Å; V353-V357 PolarHBondContact O-N 2.81Å
354	K	96.5	Very high	92.6	Very high	139 Å²	139	85.1 Å²	85.1	60%	0.604	44%	0.438	S	S	*	.	H	α-helix	trans	-58.5	-44.3	176.7	-73.3	171.4	-177.7	178.9	0	111.9	Q350 S351 A352 H356 V357 L358	Q350-K354 WeakPolarHBondContact O-CB 3.49Å; Q350-K354 VanDerWaalsContact O-CG 3.24Å; Q350-K354 WeakPolarHBondContact O-CG 3.32Å; Q350-K354 PolarHBondContact O-N 2.56Å; Q350-K354 VanDerWaalsContact O-N 3.08Å; S351-K354 PolarHBondContact O-N 2.87Å; A352-K354 PolarHBondContact O-N 3.26Å; K354-H356 PolarHBondContact O-N 2.73Å; K354-V357 PolarHBondContact O-N 2.84Å; K354-L358 WeakPolarHBondContact O-CG 3.44Å; K354-L358 PolarHBondContact O-N 2.74Å; K354-L358 VanDerWaalsContact O-N 3.08Å
355	A	92	Very high	92.3	Very high	54 Å²	54	87.6 Å²	87.6	45%	0.446	45%	0.451	S	S	.	.	H	α-helix	trans	-62.5	-41	177.1	0	0	0	0	0	112.2	S351 A352 V353 L358 L359	S351-A355 VanDerWaalsContact O-CB 3.31Å; S351-A355 WeakPolarHBondContact O-CB 3.19Å; S351-A355 PolarHBondContact O-N 3.48Å; A352-A355 PolarHBondContact O-N 3.09Å; V353-A355 VanDerWaalsContact C-N 3.33Å; V353-A355 PolarHBondContact O-N 3.38Å; A355-L358 PolarHBondContact O-N 2.89Å; A355-L359 WeakPolarHBondContact O-CB 3.41Å; A355-L359 PolarHBondContact O-N 2.97Å
356	H	92	Very high	91.7	Very high	128 Å²	128	86.9 Å²	86.9	59%	0.593	45%	0.448	S	S	*	.	H	α-helix	trans	-70.6	-36.3	178	-76.8	79.4	0	0	0	112.9	A352 V353 K354 L358 L359 G360	A352-H356 PolarHBondContact O-N 3.25Å; A352-H356 PolarHBondContact O-ND1 3.1Å; V353-H356 PolarHBondContact O-N 3.02Å; K354-H356 PolarHBondContact O-N 2.73Å; H356-L358 VanDerWaalsContact C-N 3.32Å; H356-L359 PolarHBondContact O-N 3.49Å; H356-G360 PolarHBondContact O-N 2.86Å
357	V	95.9	Very high	91.2	Very high	78 Å²	78	87.7 Å²	87.7	47%	0.473	46%	0.458	S	S	.	.	H	α-helix	trans	-59	-47.1	171.5	169.6	0	0	0	0	110	V353 K354 G360 M361	V353-V357 HydrophobicContact CG1-CG2 4.45Å; V353-V357 WeakPolarHBondContact O-CG2 3.36Å; V353-V357 PolarHBondContact O-N 2.81Å; K354-V357 PolarHBondContact O-N 2.84Å; V357-G360 PolarHBondContact O-N 3.36Å; V357-M361 HydrophobicContact CG1-CE 3.74Å; V357-M361 HydrophobicContact CG1-SD 4.38Å; V357-M361 WeakPolarHBondContact O-CG 3.3Å; V357-M361 PolarHBondContact O-N 2.86Å
358	L	92.4	Very high	90.8	Very high	104 Å²	104	95.1 Å²	95.1	55%	0.545	48%	0.483	S	S	.	.	H	α-helix	trans	-62.6	-43.6	176.1	-68.1	172.2	0	0	0	111.9	K354 A355 H356 G360 M361 I362	K354-L358 WeakPolarHBondContact O-CG 3.44Å; K354-L358 PolarHBondContact O-N 2.74Å; K354-L358 VanDerWaalsContact O-N 3.08Å; A355-L358 PolarHBondContact O-N 2.89Å; H356-L358 VanDerWaalsContact C-N 3.32Å; L358-G360 VanDerWaalsContact C-N 3.34Å; L358-G360 PolarHBondContact O-N 2.95Å; L358-M361 WeakPolarHBondContact O-CB 3.3Å; L358-M361 PolarHBondContact O-N 3.4Å; L358-I362 VanDerWaalsContact O-CG1 3.29Å; L358-I362 WeakPolarHBondContact O-CG1 3.44Å; L358-I362 PolarHBondContact O-N 3.23Å
359	L	88.4	Confident	89.3	Confident	34 Å²	34	89.2 Å²	89.2	18%	0.178	48%	0.479	C	S	.	.	H	α-helix	trans	-63.1	-40.4	178	-175.7	61.2	0	0	0	111.9	Y258 A355 H356 I362 R363	Y258-L359 HydrophobicContact CD1-CD1 4.45Å; Y258-L359 HydrophobicContact CD2-CD1 3.67Å; Y258-L359 HydrophobicContact CE1-CD1 4.36Å; Y258-L359 HydrophobicContact CE2-CD1 3.54Å; Y258-L359 HydrophobicContact CG-CD1 4.13Å; A355-L359 WeakPolarHBondContact O-CB 3.41Å; A355-L359 PolarHBondContact O-N 2.97Å; H356-L359 PolarHBondContact O-N 3.49Å; L359-I362 PolarHBondContact O-N 3.5Å; L359-R363 HydrophobicContact CD1-CG 4.5Å; L359-R363 WeakPolarHBondContact O-CG 3.15Å; L359-R363 PolarHBondContact O-N 2.73Å
360	G	91	Very high	87.5	Confident	45 Å²	45	92.5 Å²	92.5	46%	0.464	49%	0.49	S	S	.	.	H	α-helix	trans	-62.6	-41.2	174.1	0	0	0	0	0	112.4	H356 V357 L358 G364	H356-G360 PolarHBondContact O-N 2.86Å; V357-G360 PolarHBondContact O-N 3.36Å; L358-G360 VanDerWaalsContact C-N 3.34Å; L358-G360 PolarHBondContact O-N 2.95Å; G360-G364 PolarHBondContact O-N 3.44Å
361	M	92.1	Very high	85.4	Confident	117 Å²	117	97.5 Å²	97.5	58%	0.576	51%	0.513	S	S	*	.	H	α-helix	trans	-63.2	-43.6	173.4	-69.3	174.6	178.2	0	0	111.9	V357 L358 G364 L365	V357-M361 HydrophobicContact CG1-CE 3.74Å; V357-M361 HydrophobicContact CG1-SD 4.38Å; V357-M361 WeakPolarHBondContact O-CG 3.3Å; V357-M361 PolarHBondContact O-N 2.86Å; L358-M361 WeakPolarHBondContact O-CB 3.3Å; L358-M361 PolarHBondContact O-N 3.4Å; M361-G364 PolarHBondContact O-N 3.41Å; M361-L365 WeakPolarHBondContact O-CG 3.42Å; M361-L365 PolarHBondContact O-N 3.07Å; M361-L365 VanDerWaalsContact O-N 3.08Å
362	I	86.9	Confident	83.5	Confident	65 Å²	65	101.8 Å²	101.8	33%	0.333	53%	0.525	S	S	.	.	H	α-helix	trans	-61.3	-51	177.6	-68.1	162.5	0	0	0	110.4	Y258 L358 L359 G364 L365 E366	Y258-I362 WeakPolarHBondContact OH-CG2 3.38Å; L358-I362 VanDerWaalsContact O-CG1 3.29Å; L358-I362 WeakPolarHBondContact O-CG1 3.44Å; L358-I362 PolarHBondContact O-N 3.23Å; L359-I362 PolarHBondContact O-N 3.5Å; I362-G364 VanDerWaalsContact C-N 3.33Å; I362-G364 PolarHBondContact O-N 3.32Å; I362-L365 WeakPolarHBondContact O-CB 3.32Å; I362-L365 PolarHBondContact O-N 3.3Å; I362-E366 HydrophobicContact CG2-CG 4.33Å; I362-E366 PolarHBondContact O-N 3.23Å
363	R	86.4	Confident	81.3	Confident	112 Å²	112	106.1 Å²	106.1	42%	0.423	55%	0.552	S	S	.	*	H	α-helix	trans	-60	-43.2	178.8	-72.1	178.2	178.1	-175	-1.6	111.8	L359 L365 E366 E367	L359-R363 HydrophobicContact CD1-CG 4.5Å; L359-R363 WeakPolarHBondContact O-CG 3.15Å; L359-R363 PolarHBondContact O-N 2.73Å; R363-L365 PolarHBondContact O-N 2.88Å; R363-E366 PolarHBondContact O-N 2.99Å; R363-E366 VanDerWaalsContact O-N 3.15Å; R363-E367 WeakPolarHBondContact O-CB 3.29Å; R363-E367 WeakPolarHBondContact O-CG 3.36Å; R363-E367 PolarHBondContact O-N 2.94Å
364	G	89.8	Confident	79.2	Confident	23 Å²	23	106.2 Å²	106.2	24%	0.237	55%	0.553	C	S	.	*	H	α-helix	trans	-64	-22.8	176.2	0	0	0	0	0	114.2	G360 M361 I362 R368	G360-G364 PolarHBondContact O-N 3.44Å; M361-G364 PolarHBondContact O-N 3.41Å; I362-G364 VanDerWaalsContact C-N 3.33Å; I362-G364 PolarHBondContact O-N 3.32Å; G364-R368 VanDerWaalsContact O-CD 3.23Å; G364-R368 WeakPolarHBondContact O-CD 3.4Å; G364-R368 WeakPolarHBondContact O-CG 3.39Å; G364-R368 PolarHBondContact O-NE 3.4Å
365	L	86.4	Confident	77.3	Confident	125 Å²	125	106.5 Å²	106.5	65%	0.654	55%	0.554	S	S	*	*	H	α-helix	trans	-82.8	-41.5	170.3	-70.2	171.5	0	0	0	111.8	M361 I362 R363 E367 R368	M361-L365 WeakPolarHBondContact O-CG 3.42Å; M361-L365 PolarHBondContact O-N 3.07Å; M361-L365 VanDerWaalsContact O-N 3.08Å; I362-L365 WeakPolarHBondContact O-CB 3.32Å; I362-L365 PolarHBondContact O-N 3.3Å; R363-L365 PolarHBondContact O-N 2.88Å; L365-E367 VanDerWaalsContact C-N 3.31Å; L365-E367 PolarHBondContact O-N 3.15Å; L365-R368 PolarHBondContact O-N 2.92Å
366	E	82.4	Confident	75.4	Confident	87 Å²	87	106.8 Å²	106.8	41%	0.407	55%	0.548	S	S	.	.	H	α-helix	trans	-61.7	-37.5	176.7	-70.3	-178.2	139	0	0	111.9	R257 I362 R363 R368	R257-E366 IonicContact CZ-OE1 3.78Å; R257-E366 IonicContact NH1-OE1 3.88Å; R257-E366 PolarHBondContact NH1-OE1 3.35Å; R257-E366 IonicContact NH2-OE1 3.45Å; I362-E366 HydrophobicContact CG2-CG 4.33Å; I362-E366 PolarHBondContact O-N 3.23Å; R363-E366 PolarHBondContact O-N 2.99Å; R363-E366 VanDerWaalsContact O-N 3.15Å; E366-R368 VanDerWaalsContact C-N 3.33Å; E366-R368 PolarHBondContact O-N 3.17Å
367	E	84.3	Confident	73.8	Confident	160 Å²	160	106.7 Å²	106.7	75%	0.748	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-23.1	178	-73.4	170.4	-171.7	0	0	113.9	R363 L365 G369	R363-E367 WeakPolarHBondContact O-CB 3.29Å; R363-E367 WeakPolarHBondContact O-CG 3.36Å; R363-E367 PolarHBondContact O-N 2.94Å; L365-E367 VanDerWaalsContact C-N 3.31Å; L365-E367 PolarHBondContact O-N 3.15Å; E367-G369 PolarHBondContact O-N 2.68Å
368	R	82.2	Confident	72.2	Confident	210 Å²	210	103.9 Å²	103.9	79%	0.792	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	0.6	-176.7	-76.7	173.9	-171.7	-141.2	-0.1	114.4	G364 L365 E366	G364-R368 VanDerWaalsContact O-CD 3.23Å; G364-R368 WeakPolarHBondContact O-CD 3.4Å; G364-R368 WeakPolarHBondContact O-CG 3.39Å; G364-R368 PolarHBondContact O-NE 3.4Å; L365-R368 PolarHBondContact O-N 2.92Å; E366-R368 VanDerWaalsContact C-N 3.33Å; E366-R368 PolarHBondContact O-N 3.17Å
369	G	62.9	Low	71.2	Confident	58 Å²	58	103.6 Å²	103.6	60%	0.598	54%	0.537	S	S	*	.			trans	61.3	70.5	160	0	0	0	0	0	114.8	E367	E367-G369 PolarHBondContact O-N 2.68Å
370	E	57.1	Low	71	Confident	140 Å²	140	102.6 Å²	102.6	65%	0.654	53%	0.532	S	S	*	.			trans	-124.4	143.7	140	-68.6	-176.6	176.6	0	0	105.6	F372	E370-F372 HydrophobicContact CB-CD2 3.9Å; E370-F372 HydrophobicContact CB-CE2 3.54Å; E370-F372 HydrophobicContact CB-CZ 3.97Å; E370-F372 HydrophobicContact CG-CE2 4.31Å; E370-F372 PolarHBondContact O-N 3.37Å; E370-F372 WeakPolarHBondContact OE2-CZ 3.4Å
371	E	51.2	Low	70.5	Confident	206 Å²	206	102.2 Å²	102.2	96%	0.963	52%	0.521	S	S	*	.			trans	-65	65.9	174.4	-77.1	-176	145.9	0	0	110.5	C373	E371-C373 VanDerWaalsContact C-N 3.34Å; E371-C373 PolarHBondContact O-N 3.11Å
372	F	54.1	Low	69.9	Low	147 Å²	147	100.1 Å²	100.1	65%	0.645	51%	0.509	S	S	*	.			trans	-69.5	102.1	164.7	-67.1	-66.5	0	0	0	105.8	E370 V374	E370-F372 HydrophobicContact CB-CD2 3.9Å; E370-F372 HydrophobicContact CB-CE2 3.54Å; E370-F372 HydrophobicContact CB-CZ 3.97Å; E370-F372 HydrophobicContact CG-CE2 4.31Å; E370-F372 PolarHBondContact O-N 3.37Å; E370-F372 WeakPolarHBondContact OE2-CZ 3.4Å; F372-V374 HydrophobicContact CB-CG2 4.3Å; F372-V374 PolarHBondContact O-N 3Å
373	C	46.2	Very low	69.2	Low	109 Å²	109	100.4 Å²	100.4	74%	0.736	53%	0.528	S	S	*	.			trans	-61.8	80.4	164.1	-172.5	0	0	0	0	107.6	E371 K375	E371-C373 VanDerWaalsContact C-N 3.34Å; E371-C373 PolarHBondContact O-N 3.11Å; C373-K375 PolarHBondContact O-N 3.47Å
374	V	54	Low	67.9	Low	89 Å²	89	100.8 Å²	100.8	54%	0.539	55%	0.548	S	S	.	.			trans	-69.7	86.1	168.6	-175.8	0	0	0	0	104.8	F372 N376	F372-V374 HydrophobicContact CB-CG2 4.3Å; F372-V374 PolarHBondContact O-N 3Å; V374-N376 PolarHBondContact O-N 3.44Å
375	K	54.6	Low	66.7	Low	145 Å²	145	105.4 Å²	105.4	63%	0.63	56%	0.558	S	S	*	*			trans	-51	115.7	164.2	-68.5	-177.7	178.9	-179.4	0	104.8	C373 H377	C373-K375 PolarHBondContact O-N 3.47Å; K375-H377 PolarHBondContact O-CE1 3.2Å; K375-H377 VanDerWaalsContact O-CE1 3.3Å; K375-H377 PolarHBondContact O-N 3.15Å; K375-H377 PolarHBondContact O-ND1 3.46Å
376	N	52.7	Low	65.6	Low	61 Å²	61	106.1 Å²	106.1	33%	0.326	56%	0.558	S	S	.	*			trans	-62.5	92.3	178.1	-82.6	-36	0	0	0	107.4	V374 C378	V374-N376 PolarHBondContact O-N 3.44Å; N376-C378 PolarHBondContact O-N 2.88Å; N376-C378 VanDerWaalsContact O-N 3.11Å
377	H	59	Low	65.1	Low	125 Å²	125	112 Å²	112	58%	0.579	58%	0.582	S	S	*	*			trans	-72.7	108.6	178.2	-65.4	92.8	0	0	0	105.9	K375 C379	K375-H377 PolarHBondContact O-CE1 3.2Å; K375-H377 VanDerWaalsContact O-CE1 3.3Å; K375-H377 PolarHBondContact O-N 3.15Å; K375-H377 PolarHBondContact O-ND1 3.46Å; H377-C379 PolarHBondContact O-N 2.78Å; H377-C379 PolarHBondContact O-SG 3.24Å
378	C	62.9	Low	64.9	Low	20 Å²	20	110.9 Å²	110.9	14%	0.135	58%	0.582	C	S	.	*			trans	-69.3	89.7	167.3	161.5	0	0	0	0	107.8	Q287 N376 L380 R385	Q287-C378 VanDerWaalsContact NE2-CB 3.29Å; Q287-C378 PolarHBondContact NE2-SG 3.28Å; Q287-C378 VanDerWaalsContact NE2-SG 3.41Å; N376-C378 PolarHBondContact O-N 2.88Å; N376-C378 VanDerWaalsContact O-N 3.11Å; C378-L380 PolarHBondContact O-N 2.71Å; C378-R385 PolarHBondContact O-NH2 3.01Å
379	C	71.3	Confident	65.2	Low	98 Å²	98	104.3 Å²	104.3	66%	0.662	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	13.7	-179.9	-59.8	0	0	0	0	113.6	H377	H377-C379 PolarHBondContact O-N 2.78Å; H377-C379 PolarHBondContact O-SG 3.24Å
380	L	83.9	Confident	66.6	Low	12 Å²	12	107 Å²	107	6%	0.063	55%	0.55	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	13.2	-175.3	-61.9	-176.9	0	0	0	114	Y195 F197 L283 A313 V314 Y316 P317 C378	Y195-L380 HydrophobicContact CE1-CD1 4.42Å; F197-L380 HydrophobicContact CB-CD1 3.41Å; F197-L380 VanDerWaalsContact CB-CD1 3.41Å; L283-L380 HydrophobicContact CD1-CB 3.92Å; A313-L380 CarbonylContact C-O 3.55Å; A313-L380 WeakPolarHBondContact CA-O 3.38Å; V314-L380 HydrophobicContact CG2-CB 4.12Å; V314-L380 HydrophobicContact CG2-CD2 3.65Å; V314-L380 PolarHBondContact N-O 3.41Å; Y316-L380 VanDerWaalsContact OH-CD2 3.31Å; Y316-L380 WeakPolarHBondContact OH-CD2 3.27Å; P317-L380 HydrophobicContact CG-CD2 4.18Å; C378-L380 PolarHBondContact O-N 2.71Å
381	V	80.9	Confident	68.4	Low	38 Å²	38	102.6 Å²	102.6	23%	0.23	53%	0.533	C	S	.	.	B	Isolated β-bridge	trans	-120	135.6	174.2	-179	0	0	0	0	108.7	L283 S311	L283-V381 HydrophobicContact CB-CG2 4.48Å; L283-V381 HydrophobicContact CD1-CG2 3.74Å; S311-V381 VanDerWaalsContact CB-CG1 3.45Å
382	E	77.9	Confident	70.5	Confident	73 Å²	73	92.8 Å²	92.8	34%	0.341	49%	0.487	S	S	.	.			trans	-68.3	147.5	180	-67.2	-177.1	152.5	0	0	113.1	R276 S311 M312 V314	R276-E382 IonicContact CZ-OE1 2.72Å; R276-E382 IonicContact NH1-OE1 2.65Å; R276-E382 IonicContact NH2-OE1 3.16Å; R276-E382 PolarHBondContact NH2-OE1 3.42Å; R276-E382 IonicContact NH2-OE2 3.05Å; S311-E382 WeakPolarHBondContact CB-O 3.24Å; S311-E382 PolarHBondContact OG-O 2.85Å; M312-E382 PolarHBondContact O-N 3.15Å; V314-E382 HydrophobicContact CG1-CG 4.18Å
383	G	72.9	Confident	72.5	Confident	71 Å²	71	89.6 Å²	89.6	73%	0.732	48%	0.476	S	S	*	.	S	Bend	trans	82.5	-171.6	169.4	0	0	0	0	0	115.5
384	S	59.9	Low	74.8	Confident	119 Å²	119	89.8 Å²	89.8	83%	0.832	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-82.8	132.8	-179.3	54.6	0	0	0	0	111.6
385	R	63.6	Low	76.7	Confident	120 Å²	120	87.2 Å²	87.2	45%	0.453	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-76.3	137.6	174.6	-71.9	-178.4	172.4	-136.1	-8.7	110.4	C378	C378-R385 PolarHBondContact O-NH2 3.01Å
386	Q	64.6	Low	78.6	Confident	140 Å²	140	83.8 Å²	83.8	65%	0.654	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-68.7	138.5	167.5	-69.4	-176.7	-24.4	0	0	109.6	N388	Q386-N388 VanDerWaalsContact C-N 3.26Å; Q386-N388 PolarHBondContact O-N 3.08Å
387	K	69.9	Low	80.6	Confident	211 Å²	211	82.7 Å²	82.7	92%	0.917	44%	0.436	S	S	*	.	S	Bend	trans	-61.6	-36.2	-180	-73.6	-174.3	177.9	-179.1	0	112.4
388	N	81.1	Confident	82.1	Confident	137 Å²	137	78.2 Å²	78.2	73%	0.733	42%	0.418	S	S	*	.	S	Bend	trans	-112.2	127.5	175.4	-63.9	-19.7	0	0	0	108.3	Q386	Q386-N388 VanDerWaalsContact C-N 3.26Å; Q386-N388 PolarHBondContact O-N 3.08Å
389	Y	87.8	Confident	83.3	Confident	71 Å²	71	82.5 Å²	82.5	28%	0.278	44%	0.437	S	S	.	.			trans	-70.9	133.2	176.7	-173	-102.4	0	0	0	110.5	L284 L289 E290 R395	L284-Y389 HydrophobicContact CD2-CE2 3.61Å; L289-Y389 HydrophobicContact CB-CD1 3.89Å; L289-Y389 HydrophobicContact CB-CD2 4.11Å; L289-Y389 HydrophobicContact CB-CE1 3.66Å; L289-Y389 HydrophobicContact CB-CE2 3.86Å; L289-Y389 HydrophobicContact CB-CG 4.1Å; L289-Y389 HydrophobicContact CD1-CD2 3.64Å; L289-Y389 HydrophobicContact CD1-CE2 3.82Å; L289-Y389 HydrophobicContact CD1-CG 4.11Å; L289-Y389 HydrophobicContact CD2-CD1 4.1Å; L289-Y389 HydrophobicContact CD2-CD2 4.25Å; L289-Y389 HydrophobicContact CD2-CG 3.84Å; L289-Y389 HydrophobicContact CG-CD1 4.45Å; L289-Y389 HydrophobicContact CG-CD2 4.22Å; L289-Y389 HydrophobicContact CG-CE2 4.37Å; L289-Y389 HydrophobicContact CG-CG 4.24Å; L289-Y389 WeakPolarHBondContact O-CE1 3.31Å; E290-Y389 VanDerWaalsContact CD-OH 3.26Å; E290-Y389 HydrophobicContact CG-CE1 4.44Å; E290-Y389 WeakPolarHBondContact CG-OH 3.5Å; E290-Y389 WeakPolarHBondContact OE1-CE1 3.4Å; E290-Y389 PolarHBondContact OE1-OH 3.29Å; Y389-R395 PolarHBondContact OH-NH2 3.37Å
390	R	92.6	Very high	84.2	Confident	116 Å²	116	79.1 Å²	79.1	44%	0.438	41%	0.414	S	S	.	.			trans	-112.3	127.3	170	-172.5	175	-172.2	179.7	0.4	109.2	E394 R395	R390-E394 HydrophobicContact CG-CB 4.03Å; R390-E394 PolarHBondContact NE-O 2.98Å; R390-E394 PolarHBondContact NH2-O 2.8Å; R390-R395 HydrophobicContact CB-CG 4.39Å; R390-R395 HydrophobicContact CG-CG 4.2Å; R390-R395 VanDerWaalsContact O-CZ 3.26Å; R390-R395 PolarHBondContact O-NE 3.38Å; R390-R395 PolarHBondContact O-NH2 3.03Å
391	P	95.3	Very high	84.4	Confident	47 Å²	47	79.1 Å²	79.1	31%	0.305	41%	0.414	S	S	.	.			trans	-53.3	144	176	-27.6	35.7	0	0	0	112.8	E290 L393 E394 R395	E290-P391 VanDerWaalsContact OE1-CA 3.27Å; E290-P391 WeakPolarHBondContact OE1-CA 3.4Å; P391-L393 VanDerWaalsContact C-N 3.34Å; P391-L393 PolarHBondContact O-N 2.79Å; P391-E394 HydrophobicContact CB-CG 4.25Å; P391-E394 PolarHBondContact O-N 2.93Å; P391-R395 WeakPolarHBondContact O-CG 3.46Å; P391-R395 PolarHBondContact O-N 3.48Å
392	L	95.5	Very high	84.8	Confident	0 Å²	0	81.8 Å²	81.8	0%	0	42%	0.424	C	S	.	.	G	3₁₀ helix	trans	-56.4	-44.3	-171.9	-81.1	173.9	0	0	0	112.7	V281 L284 E290 I294 L298 P308 Y310 E394 R395	V281-L392 HydrophobicContact CG2-CD1 4.32Å; L284-L392 HydrophobicContact CD1-CD1 3.9Å; L284-L392 HydrophobicContact CD1-CD2 4.21Å; L284-L392 HydrophobicContact CD1-CG 4.16Å; E290-L392 HydrophobicContact CG-CD1 4.13Å; E290-L392 HydrophobicContact CG-CG 4.34Å; E290-L392 WeakPolarHBondContact OE1-CG 3.27Å; E290-L392 PolarHBondContact OE1-N 3.48Å; I294-L392 HydrophobicContact CD1-CB 4.07Å; I294-L392 HydrophobicContact CG1-CB 4.26Å; I294-L392 HydrophobicContact CG1-CD1 3.83Å; L298-L392 HydrophobicContact CD1-CD1 4.3Å; P308-L392 WeakPolarHBondContact CB-O 3.49Å; P308-L392 HydrophobicContact CG-CB 4.45Å; Y310-L392 HydrophobicContact CD1-CD2 3.83Å; Y310-L392 HydrophobicContact CG-CD2 4.05Å; L392-E394 PolarHBondContact O-N 2.69Å; L392-R395 WeakPolarHBondContact O-CB 3.49Å; L392-R395 PolarHBondContact O-N 3.4Å; L392-R395 VanDerWaalsContact O-N 3.15Å
393	L	95.4	Very high	85.3	Confident	80 Å²	80	80.9 Å²	80.9	42%	0.419	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-69.4	-17.8	-178.6	-60.5	-178.2	0	0	0	113.5	I294 H297 P391	I294-L393 HydrophobicContact CD1-CD1 4.04Å; I294-L393 HydrophobicContact CD1-CD2 3.86Å; I294-L393 HydrophobicContact CD1-CG 3.6Å; H297-L393 HydrophobicContact CB-CD1 4.1Å; H297-L393 HydrophobicContact CB-CD2 4.31Å; P391-L393 VanDerWaalsContact C-N 3.34Å; P391-L393 PolarHBondContact O-N 2.79Å
394	E	95.4	Very high	85.9	Confident	113 Å²	113	80.3 Å²	80.3	53%	0.528	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-88.1	-11.3	176.1	-62.4	177.8	-164.2	0	0	112.5	R390 P391 L392	R390-E394 HydrophobicContact CG-CB 4.03Å; R390-E394 PolarHBondContact NE-O 2.98Å; R390-E394 PolarHBondContact NH2-O 2.8Å; P391-E394 HydrophobicContact CB-CG 4.25Å; P391-E394 PolarHBondContact O-N 2.93Å; L392-E394 PolarHBondContact O-N 2.69Å
395	R	94.4	Very high	87.2	Confident	35 Å²	35	75.6 Å²	75.6	13%	0.132	37%	0.367	C	S	.	.	S	Bend	trans	-75.3	158.1	-174.3	-64.5	-177.2	-168.6	171.6	9.3	112.1	P308 Q309 Y389 R390 P391 L392 C397	P308-R395 HydrophobicContact CB-CB 4.49Å; Q309-R395 WeakPolarHBondContact O-CD 3.45Å; Q309-R395 PolarHBondContact O-NH1 3.08Å; Q309-R395 VanDerWaalsContact O-NH1 3.13Å; Y389-R395 PolarHBondContact OH-NH2 3.37Å; R390-R395 HydrophobicContact CB-CG 4.39Å; R390-R395 HydrophobicContact CG-CG 4.2Å; R390-R395 VanDerWaalsContact O-CZ 3.26Å; R390-R395 PolarHBondContact O-NE 3.38Å; R390-R395 PolarHBondContact O-NH2 3.03Å; P391-R395 WeakPolarHBondContact O-CG 3.46Å; P391-R395 PolarHBondContact O-N 3.48Å; L392-R395 WeakPolarHBondContact O-CB 3.49Å; L392-R395 PolarHBondContact O-N 3.4Å; L392-R395 VanDerWaalsContact O-N 3.15Å; R395-C397 PolarHBondContact O-N 2.94Å
396	P	93.6	Very high	88.2	Confident	72 Å²	72	73 Å²	73	47%	0.468	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-53.2	136	165.2	-22.5	33.5	0	0	0	110.6	Q309	Q309-P396 WeakPolarHBondContact CB-O 2.88Å; Q309-P396 VanDerWaalsContact CG-O 3.24Å; Q309-P396 WeakPolarHBondContact CG-O 3.45Å; Q309-P396 PolarHBondContact N-O 2.94Å
397	C	94.3	Very high	89.3	Confident	39 Å²	39	70.1 Å²	70.1	26%	0.264	35%	0.348	S	S	.	.	B	Isolated β-bridge	trans	-92.9	156.4	176.1	-51.7	0	0	0	0	111.2	R306 K307 R395	R306-C397 HydrophobicContact CB-CB 3.54Å; K307-C397 CarbonylContact O-C 3.47Å; K307-C397 VanDerWaalsContact O-CA 3.31Å; K307-C397 WeakPolarHBondContact O-CA 3.2Å; R395-C397 PolarHBondContact O-N 2.94Å
398	C	91	Very high	90	Very high	30 Å²	30	61.9 Å²	61.9	20%	0.203	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-66.1	166.5	164.2	-57.6	0	0	0	0	110.8	K307	K307-C398 HydrophobicContact CB-CB 4.31Å; K307-C398 PolarHBondContact O-N 3.02Å; K307-C398 PolarHBondContact O-SG 2.81Å
399	E	88.6	Confident	90.2	Very high	111 Å²	111	56.5 Å²	56.5	52%	0.519	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-54	146.3	166.2	-64	179.4	157.4	0	0	111.4	R404	E399-R404 HydrophobicContact CB-CG 4.21Å
400	S	89.9	Confident	90.1	Very high	27 Å²	27	61.9 Å²	61.9	19%	0.189	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-67.2	165.1	176.4	83.3	0	0	0	0	111.9	E402 S403 R404	S400-E402 VanDerWaalsContact C-N 3.34Å; S400-E402 WeakPolarHBondContact CB-OE2 2.93Å; S400-E402 PolarHBondContact O-N 3.21Å; S400-E402 PolarHBondContact OG-OE2 3.16Å; S400-S403 PolarHBondContact O-N 3.08Å; S400-S403 PolarHBondContact OG-N 2.72Å; S400-R404 WeakPolarHBondContact O-CG 3.49Å; S400-R404 PolarHBondContact O-N 3.48Å; S400-R404 VanDerWaalsContact O-N 3.12Å
401	L	88.5	Confident	89.6	Confident	11 Å²	11	64.3 Å²	64.3	6%	0.058	32%	0.318	C	S	.	.	H	α-helix	trans	-60.5	-45.5	176.9	176.1	55.6	0	0	0	111.2	M226 V228 F235 S403 R404 I405	M226-L401 HydrophobicContact SD-CB 4.34Å; M226-L401 HydrophobicContact SD-CD1 4.26Å; V228-L401 HydrophobicContact CG2-CD1 3.74Å; F235-L401 HydrophobicContact CD2-CD1 4.35Å; F235-L401 HydrophobicContact CD2-CD2 3.89Å; F235-L401 HydrophobicContact CE2-CD1 3.43Å; F235-L401 VanDerWaalsContact CE2-CD1 3.43Å; F235-L401 HydrophobicContact CE2-CD2 3.78Å; F235-L401 HydrophobicContact CE2-CG 4.25Å; F235-L401 HydrophobicContact CZ-CD1 4.01Å; L401-S403 VanDerWaalsContact C-N 3.32Å; L401-S403 PolarHBondContact O-N 3.13Å; L401-R404 PolarHBondContact O-N 2.61Å; L401-R404 VanDerWaalsContact O-N 3.13Å; L401-I405 HydrophobicContact CD1-CD1 3.91Å; L401-I405 HydrophobicContact CD1-CG1 4.05Å; L401-I405 HydrophobicContact CG-CD1 3.81Å; L401-I405 HydrophobicContact CG-CG1 4.39Å; L401-I405 WeakPolarHBondContact O-CG1 3.13Å; L401-I405 PolarHBondContact O-N 3.19Å
402	E	88.3	Confident	88.8	Confident	95 Å²	95	63.6 Å²	63.6	44%	0.444	32%	0.32	S	S	.	.	H	α-helix	trans	-62.6	-40.9	-178.5	-52.9	69.2	-143.7	0	0	110.8	S400 I405 N406	S400-E402 VanDerWaalsContact C-N 3.34Å; S400-E402 WeakPolarHBondContact CB-OE2 2.93Å; S400-E402 PolarHBondContact O-N 3.21Å; S400-E402 PolarHBondContact OG-OE2 3.16Å; E402-I405 PolarHBondContact O-N 2.82Å; E402-N406 WeakPolarHBondContact O-CB 3.38Å; E402-N406 PolarHBondContact O-N 2.9Å; E402-N406 PolarHBondContact O-ND2 2.96Å
403	S	87.8	Confident	87.9	Confident	53 Å²	53	70.4 Å²	70.4	37%	0.371	35%	0.345	S	S	.	.	H	α-helix	trans	-61.8	-44.7	175.1	-174.2	0	0	0	0	111.4	S400 L401 N406 H407	S400-S403 PolarHBondContact O-N 3.08Å; S400-S403 PolarHBondContact OG-N 2.72Å; L401-S403 VanDerWaalsContact C-N 3.32Å; L401-S403 PolarHBondContact O-N 3.13Å; S403-N406 PolarHBondContact O-N 2.97Å; S403-H407 PolarHBondContact O-N 3.48Å
404	R	86.4	Confident	87	Confident	60 Å²	60	66.9 Å²	66.9	23%	0.226	33%	0.327	C	S	.	.	H	α-helix	trans	-65.6	-41.9	177.6	-73.2	-174.9	173.9	-147.6	0.1	112.6	M226 V228 E399 S400 L401 H407 F408	M226-R404 PolarHBondContact O-NH1 3.27Å; M226-R404 VanDerWaalsContact O-NH1 3.1Å; V228-R404 HydrophobicContact CB-CB 4.46Å; V228-R404 HydrophobicContact CG2-CB 4.12Å; E399-R404 HydrophobicContact CB-CG 4.21Å; S400-R404 WeakPolarHBondContact O-CG 3.49Å; S400-R404 PolarHBondContact O-N 3.48Å; S400-R404 VanDerWaalsContact O-N 3.12Å; L401-R404 PolarHBondContact O-N 2.61Å; L401-R404 VanDerWaalsContact O-N 3.13Å; R404-H407 WeakPolarHBondContact O-CB 3.39Å; R404-H407 PolarHBondContact O-N 2.98Å; R404-F408 VanDerWaalsContact O-CD2 3.26Å; R404-F408 WeakPolarHBondContact O-CD2 3.41Å; R404-F408 PolarHBondContact O-N 2.67Å
405	I	86.9	Confident	85.9	Confident	20 Å²	20	65.7 Å²	65.7	10%	0.103	32%	0.322	C	S	.	.	H	α-helix	trans	-58.4	-51.5	174.7	-70	170.8	0	0	0	109.3	V228 L233 L401 E402 H407 F408 V409 L414 H427	V228-I405 HydrophobicContact CG1-CG1 3.96Å; L233-I405 HydrophobicContact CD2-CD1 3.82Å; L233-I405 HydrophobicContact CD2-CG1 3.68Å; L401-I405 HydrophobicContact CD1-CD1 3.91Å; L401-I405 HydrophobicContact CD1-CG1 4.05Å; L401-I405 HydrophobicContact CG-CD1 3.81Å; L401-I405 HydrophobicContact CG-CG1 4.39Å; L401-I405 WeakPolarHBondContact O-CG1 3.13Å; L401-I405 PolarHBondContact O-N 3.19Å; E402-I405 PolarHBondContact O-N 2.82Å; I405-H407 VanDerWaalsContact C-N 3.28Å; I405-H407 PolarHBondContact O-N 3.21Å; I405-F408 PolarHBondContact O-N 3.49Å; I405-F408 VanDerWaalsContact O-N 3.08Å; I405-V409 HydrophobicContact CG2-CG2 4.13Å; I405-V409 WeakPolarHBondContact O-CG2 3.36Å; I405-V409 PolarHBondContact O-N 3.39Å; I405-L414 HydrophobicContact CG2-CD1 4.21Å; I405-H427 VanDerWaalsContact CG2-CD2 3.49Å; I405-H427 WeakPolarHBondContact CG2-CD2 3.45Å
406	N	85.8	Confident	84.4	Confident	66 Å²	66	71.3 Å²	71.3	35%	0.353	34%	0.343	S	S	.	.	H	α-helix	trans	-58.2	-39.1	177.9	-78.8	-43.5	0	0	0	112.7	E402 S403 K410	E402-N406 WeakPolarHBondContact O-CB 3.38Å; E402-N406 PolarHBondContact O-N 2.9Å; E402-N406 PolarHBondContact O-ND2 2.96Å; S403-N406 PolarHBondContact O-N 2.97Å; N406-K410 WeakPolarHBondContact O-CB 3.33Å; N406-K410 VanDerWaalsContact O-CG 3.29Å; N406-K410 WeakPolarHBondContact O-CG 3.47Å; N406-K410 PolarHBondContact O-N 3.5Å
407	H	87.1	Confident	82.5	Confident	78 Å²	78	71.5 Å²	71.5	36%	0.361	34%	0.337	S	S	.	.	H	α-helix	trans	-58.9	-47.5	173.9	178.8	90.6	0	0	0	112.2	S403 R404 I405 K410 R411	S403-H407 PolarHBondContact O-N 3.48Å; R404-H407 WeakPolarHBondContact O-CB 3.39Å; R404-H407 PolarHBondContact O-N 2.98Å; I405-H407 VanDerWaalsContact C-N 3.28Å; I405-H407 PolarHBondContact O-N 3.21Å; H407-K410 PolarHBondContact O-N 2.87Å; H407-R411 PolarHBondContact O-N 3.28Å; H407-R411 VanDerWaalsContact O-N 3.15Å
408	F	85.4	Confident	80.1	Confident	39 Å²	39	78 Å²	78	17%	0.171	36%	0.364	C	S	.	.	H	α-helix	trans	-77.2	-28.4	-177.8	-77.1	-67.3	0	0	0	114	V228 R404 I405 R411 G412 R413 L414	V228-F408 HydrophobicContact CB-CD2 3.89Å; V228-F408 HydrophobicContact CB-CE2 4.15Å; V228-F408 HydrophobicContact CG1-CB 4.44Å; V228-F408 HydrophobicContact CG1-CD2 3.69Å; V228-F408 HydrophobicContact CG1-CE2 4.45Å; V228-F408 HydrophobicContact CG1-CG 4.42Å; R404-F408 VanDerWaalsContact O-CD2 3.26Å; R404-F408 WeakPolarHBondContact O-CD2 3.41Å; R404-F408 PolarHBondContact O-N 2.67Å; I405-F408 PolarHBondContact O-N 3.49Å; I405-F408 VanDerWaalsContact O-N 3.08Å; F408-R411 CarbonylContact O-C 3.59Å; F408-R411 PolarHBondContact O-N 3.15Å; F408-G412 PolarHBondContact O-N 3.09Å; F408-R413 HydrophobicContact CD1-CB 4.32Å; F408-R413 PolarHBondContact O-N 3.21Å; F408-L414 HydrophobicContact CB-CD1 3.77Å; F408-L414 HydrophobicContact CB-CG 3.96Å; F408-L414 PolarHBondContact O-N 3.22Å
409	V	84.6	Confident	77.9	Confident	23 Å²	23	77.5 Å²	77.5	14%	0.139	36%	0.364	C	S	.	.	H	α-helix	trans	-63.6	-48.2	167.9	171.6	0	0	0	0	110.3	I405 R411 G412 L414 R416	I405-V409 HydrophobicContact CG2-CG2 4.13Å; I405-V409 WeakPolarHBondContact O-CG2 3.36Å; I405-V409 PolarHBondContact O-N 3.39Å; V409-R411 PolarHBondContact O-N 3.25Å; V409-G412 WeakPolarHBondContact O-CA 3.18Å; V409-G412 PolarHBondContact O-N 3.28Å; V409-L414 HydrophobicContact CG2-CB 3.7Å; V409-L414 HydrophobicContact CG2-CD1 4.23Å; V409-R416 HydrophobicContact CG1-CG 4Å
410	K	84.8	Confident	75.8	Confident	184 Å²	184	81.9 Å²	81.9	80%	0.8	38%	0.384	S	S	*	.	H	α-helix	trans	-59.6	-31	176.3	-75.9	177.6	-179	-178.4	0	112.8	N406 H407 G412	N406-K410 WeakPolarHBondContact O-CB 3.33Å; N406-K410 VanDerWaalsContact O-CG 3.29Å; N406-K410 WeakPolarHBondContact O-CG 3.47Å; N406-K410 PolarHBondContact O-N 3.5Å; H407-K410 PolarHBondContact O-N 2.87Å; K410-G412 VanDerWaalsContact C-N 3.27Å; K410-G412 PolarHBondContact O-N 3.29Å
411	R	83.3	Confident	73.5	Confident	167 Å²	167	88 Å²	88	63%	0.63	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	4.7	174.1	-73.4	-168.7	162.4	-165.6	-5.1	114.2	H407 F408 V409 R413	H407-R411 PolarHBondContact O-N 3.28Å; H407-R411 VanDerWaalsContact O-N 3.15Å; F408-R411 CarbonylContact O-C 3.59Å; F408-R411 PolarHBondContact O-N 3.15Å; V409-R411 PolarHBondContact O-N 3.25Å; R411-R413 PolarHBondContact O-N 3.28Å
412	G	77.9	Confident	71.4	Confident	33 Å²	33	90.8 Å²	90.8	34%	0.34	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.4	16.4	177.2	0	0	0	0	0	114.9	F408 V409 K410 K430	F408-G412 PolarHBondContact O-N 3.09Å; V409-G412 WeakPolarHBondContact O-CA 3.18Å; V409-G412 PolarHBondContact O-N 3.28Å; K410-G412 VanDerWaalsContact C-N 3.27Å; K410-G412 PolarHBondContact O-N 3.29Å; G412-K430 WeakPolarHBondContact O-CD 3.08Å; G412-K430 WeakPolarHBondContact O-CE 3.37Å; G412-K430 PolarHBondContact O-NZ 3.47Å
413	R	76.6	Confident	69.1	Low	142 Å²	142	93.9 Å²	93.9	54%	0.536	47%	0.466	S	S	.	.	S	Bend	trans	-87.3	-23	177.6	-67.6	-164.7	178.2	-172.6	-2.9	113.1	F408 R411 K430	F408-R413 HydrophobicContact CD1-CB 4.32Å; F408-R413 PolarHBondContact O-N 3.21Å; R411-R413 PolarHBondContact O-N 3.28Å; R413-K430 PolarHBondContact O-N 3.29Å
414	L	76.1	Confident	66.8	Low	7 Å²	7	98.4 Å²	98.4	4%	0.037	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	142.6	171.8	-65.6	176.6	0	0	0	109.3	V228 L233 I405 F408 V409 R428	V228-L414 HydrophobicContact CG1-CD1 3.78Å; L233-L414 HydrophobicContact CD2-CD1 4.24Å; I405-L414 HydrophobicContact CG2-CD1 4.21Å; F408-L414 HydrophobicContact CB-CD1 3.77Å; F408-L414 HydrophobicContact CB-CG 3.96Å; F408-L414 PolarHBondContact O-N 3.22Å; V409-L414 HydrophobicContact CG2-CB 3.7Å; V409-L414 HydrophobicContact CG2-CD1 4.23Å; L414-R428 WeakPolarHBondContact CA-O 3.45Å
415	E	72.5	Confident	65.2	Low	88 Å²	88	102 Å²	102	41%	0.411	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	152.3	171.8	-70.3	174.8	174.8	0	0	110.4	H427 R428 K430	E415-H427 WeakPolarHBondContact O-CA 3.42Å; E415-R428 PolarHBondContact N-O 3.31Å; E415-R428 PolarHBondContact O-N 3.36Å; E415-K430 HydrophobicContact CG-CD 4.39Å; E415-K430 HydrophobicContact CG-CG 3.87Å; E415-K430 WeakPolarHBondContact OE1-CE 3.39Å; E415-K430 WeakPolarHBondContact OE1-CG 2.85Å
416	R	62.7	Low	63.6	Low	153 Å²	153	104.4 Å²	104.4	58%	0.577	52%	0.515	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.5	116.1	169.4	-66.1	-175.1	172.2	177.4	-1.8	106.9	V409	V409-R416 HydrophobicContact CG1-CG 4Å
417	E	53.8	Low	62.4	Low	75 Å²	75	103.1 Å²	103.1	35%	0.35	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	122.7	163.8	-74.7	179.5	171.6	0	0	107.1	G419 I426 R428	E417-G419 PolarHBondContact O-N 3.5Å; E417-I426 PolarHBondContact N-O 3.2Å; E417-I426 PolarHBondContact O-N 3.05Å; E417-R428 IonicContact OE1-NH1 3.85Å; E417-R428 PolarHBondContact OE1-NH1 3.04Å; E417-R428 WeakPolarHBondContact OE2-CD 3.34Å; E417-R428 IonicContact OE2-CZ 2.97Å; E417-R428 VanDerWaalsContact OE2-CZ 3.23Å; E417-R428 IonicContact OE2-NE 2.88Å; E417-R428 PolarHBondContact OE2-NE 3.16Å; E417-R428 IonicContact OE2-NH1 3.99Å; E417-R428 PolarHBondContact OE2-NH1 3.32Å
418	E	44.4	Very low	61	Low	176 Å²	176	106 Å²	106	82%	0.822	51%	0.514	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.8	122.1	166.5	-71.8	180	170.5	0	0	107.2
419	G	44.7	Very low	59.5	Low	20 Å²	20	105.8 Å²	105.8	21%	0.206	52%	0.523	C	S	.	.	P	Polyproline II helix	trans	-59.8	144	176.4	0	0	0	0	0	110.9	E417 N421 G422 E424	E417-G419 PolarHBondContact O-N 3.5Å; G419-N421 PolarHBondContact O-N 2.93Å; G419-G422 PolarHBondContact O-N 3.32Å; G419-E424 PolarHBondContact N-O 2.93Å
420	E	43.7	Very low	57.7	Low	203 Å²	203	110 Å²	110	95%	0.949	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-11.9	-176.1	-70.4	-178.6	156.4	0	0	114.4
421	N	41.7	Very low	55.7	Low	155 Å²	155	109.9 Å²	109.9	83%	0.829	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.6	15.9	179.1	-71.5	-28.3	0	0	0	114.9	G419 D423	G419-N421 PolarHBondContact O-N 2.93Å; N421-D423 PolarHBondContact O-N 3.34Å
422	G	44.4	Very low	53.5	Low	70 Å²	70	105.4 Å²	105.4	72%	0.722	53%	0.533	S	S	*	.	S	Bend	trans	73.1	-8.2	169.9	0	0	0	0	0	117.7	G419	G419-G422 PolarHBondContact O-N 3.32Å
423	D	39.9	Very low	51.5	Low	159 Å²	159	113.3 Å²	113.3	85%	0.85	56%	0.558	S	S	*	*	S	Bend	trans	-107.1	-5.7	-173.7	-84.5	-19.4	0	0	0	116.2	N421	N421-D423 PolarHBondContact O-N 3.34Å
424	E	41.1	Very low	49.4	Very low	149 Å²	149	114.9 Å²	114.9	70%	0.696	57%	0.571	S	S	*	*			trans	-135.8	119	172.5	-73.8	-172	161.1	0	0	112.4	G419 I426	G419-E424 PolarHBondContact N-O 2.93Å; E424-I426 PolarHBondContact O-N 3.34Å
425	M	51.5	Low	47.2	Very low	134 Å²	134	118.1 Å²	118.1	66%	0.66	59%	0.594	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-76	109.8	167.9	-78.2	-170.5	179.7	0	0	109.1
426	I	53.7	Low	45.2	Very low	71 Å²	71	125.6 Å²	125.6	36%	0.364	62%	0.62	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.4	122.3	177.9	-58.2	177.2	0	0	0	108	E417 E424 R428	E417-I426 PolarHBondContact N-O 3.2Å; E417-I426 PolarHBondContact O-N 3.05Å; E424-I426 PolarHBondContact O-N 3.34Å; I426-R428 HydrophobicContact CG2-CG 4.26Å
427	H	59.8	Low	44.3	Very low	39 Å²	39	124.2 Å²	124.2	18%	0.181	62%	0.622	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.2	136.2	171.4	-62.8	-61.5	0	0	0	109.6	L233 I405 E415	L233-H427 HydrophobicContact CD1-CB 3.51Å; L233-H427 WeakPolarHBondContact CD1-O 3.42Å; I405-H427 VanDerWaalsContact CG2-CD2 3.49Å; I405-H427 WeakPolarHBondContact CG2-CD2 3.45Å; E415-H427 WeakPolarHBondContact O-CA 3.42Å
428	R	57.7	Low	43.8	Very low	140 Å²	140	126.8 Å²	126.8	53%	0.528	64%	0.637	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-127.6	141.1	174.2	-72.1	-175.6	174.3	166.3	-3.4	110.8	L414 E415 E417 I426	L414-R428 WeakPolarHBondContact CA-O 3.45Å; E415-R428 PolarHBondContact N-O 3.31Å; E415-R428 PolarHBondContact O-N 3.36Å; E417-R428 IonicContact OE1-NH1 3.85Å; E417-R428 PolarHBondContact OE1-NH1 3.04Å; E417-R428 WeakPolarHBondContact OE2-CD 3.34Å; E417-R428 IonicContact OE2-CZ 2.97Å; E417-R428 VanDerWaalsContact OE2-CZ 3.23Å; E417-R428 IonicContact OE2-NE 2.88Å; E417-R428 PolarHBondContact OE2-NE 3.16Å; E417-R428 IonicContact OE2-NH1 3.99Å; E417-R428 PolarHBondContact OE2-NH1 3.32Å; I426-R428 HydrophobicContact CG2-CG 4.26Å
429	G	54.4	Low	43.8	Very low	34 Å²	34	124.1 Å²	124.1	35%	0.351	63%	0.626	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-69.3	134.1	170.7	0	0	0	0	0	110.6	K431	G429-K431 PolarHBondContact O-N 2.96Å
430	K	48	Very low	43.8	Very low	111 Å²	111	130.2 Å²	130.2	48%	0.483	65%	0.651	S	S	.	*	P	Polyproline II helix	trans	-61.9	125.6	171	-81.5	-175.8	176.6	163.2	0	109.5	G412 R413 E415 S432	G412-K430 WeakPolarHBondContact O-CD 3.08Å; G412-K430 WeakPolarHBondContact O-CE 3.37Å; G412-K430 PolarHBondContact O-NZ 3.47Å; R413-K430 PolarHBondContact O-N 3.29Å; E415-K430 HydrophobicContact CG-CD 4.39Å; E415-K430 HydrophobicContact CG-CG 3.87Å; E415-K430 WeakPolarHBondContact OE1-CE 3.39Å; E415-K430 WeakPolarHBondContact OE1-CG 2.85Å; K430-S432 PolarHBondContact O-N 3.45Å; K430-S432 VanDerWaalsContact O-N 3.09Å
431	K	42	Very low	43.8	Very low	181 Å²	181	125.6 Å²	125.6	79%	0.787	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-57.8	116.3	170.7	-74.5	-176.7	178.4	178.3	0	108.5	G429 K433	G429-K431 PolarHBondContact O-N 2.96Å; K431-K433 PolarHBondContact O-N 3.47Å
432	S	36.6	Very low	43.9	Very low	73 Å²	73	123.7 Å²	123.7	51%	0.51	62%	0.619	S	S	.	*	P	Polyproline II helix	trans	-61.7	135.7	169.6	170.4	0	0	0	0	108.6	K430 H434 S435	K430-S432 PolarHBondContact O-N 3.45Å; K430-S432 VanDerWaalsContact O-N 3.09Å; S432-H434 PolarHBondContact O-N 2.85Å; S432-H434 PolarHBondContact OG-N 3.01Å; S432-S435 PolarHBondContact O-N 3.03Å; S432-S435 VanDerWaalsContact O-N 3.15Å
433	K	36.8	Very low	43.9	Very low	199 Å²	199	127.5 Å²	127.5	87%	0.865	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.5	-3.8	172.9	-73.7	-175.7	175.5	-178.9	0	113.3	K431	K431-K433 PolarHBondContact O-N 3.47Å
434	H	31.7	Very low	44.2	Very low	176 Å²	176	125.1 Å²	125.1	82%	0.815	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.2	13.5	-179.2	-62.4	-16.1	0	0	0	114.3	S432	S432-H434 PolarHBondContact O-N 2.85Å; S432-H434 PolarHBondContact OG-N 3.01Å
435	S	29.6	Very low	44.4	Very low	74 Å²	74	123.1 Å²	123.1	52%	0.517	59%	0.585	S	S	.	*			trans	-101.3	83.8	168.8	74.5	0	0	0	0	110.9	S432	S432-S435 PolarHBondContact O-N 3.03Å; S432-S435 VanDerWaalsContact O-N 3.15Å
436	Y	31.5	Very low	43.8	Very low	245 Å²	245	122.1 Å²	122.1	96%	0.961	58%	0.578	S	S	*	*			trans	-126.6	0	153.6	-75.9	-78.3	0	0	0	107.4

Retrieved 436 of 436 residues in 178.9 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).