A0A060XWE9_ONCMY Loading...

PHD finger protein 6

AlphaFold DB , UniProt , Accession A0A060XWE9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene phf6, Length 367 aa.

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(Predicted Aligned Error values between residue pairs)

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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	35.2	Very low	42.8	Very low	245 Å²	245	149.7 Å²	149.7	100%	1.207	87%	0.866	S	S	*	*				0	76.6	0	-69.6	-75.9	177.7	0	0	108.4
2	S	37.1	Very low	44.5	Very low	114 Å²	114	149.3 Å²	149.3	80%	0.797	86%	0.857	S	S	*	*			trans	-95.3	113.3	178.1	-69	0	0	0	0	108.8	Q4	S2-Q4 PolarHBondContact O-N 3.02Å
3	A	36.7	Very low	47.2	Very low	100 Å²	100	147.8 Å²	147.8	83%	0.826	83%	0.828	S	S	*	*			trans	-74.2	106.6	-179.3	0	0	0	0	0	110.5	R5	A3-R5 PolarHBondContact O-N 3.42Å
4	Q	41.2	Very low	50.3	Low	174 Å²	174	147.5 Å²	147.5	81%	0.813	81%	0.814	S	S	*	*			trans	-59.5	113.6	162.6	-105.2	95.6	-4.3	0	0	109.6	S2 K6	S2-Q4 PolarHBondContact O-N 3.02Å; Q4-K6 PolarHBondContact O-N 2.92Å
5	R	46.3	Very low	53	Low	244 Å²	244	137.8 Å²	137.8	92%	0.921	76%	0.761	S	S	*	*			trans	-72.5	107.3	162.1	-78.7	-177.4	151.9	-166.2	-5.8	108.5	A3 G7	A3-R5 PolarHBondContact O-N 3.42Å; R5-G7 PolarHBondContact O-N 3.07Å
6	K	41.2	Very low	55.4	Low	204 Å²	204	131.1 Å²	131.1	89%	0.887	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-57.6	119.9	177.3	-66.5	176.1	177.9	178.3	0	110.2	Q4	Q4-K6 PolarHBondContact O-N 2.92Å
7	G	38.3	Very low	57.5	Low	77 Å²	77	123.5 Å²	123.5	79%	0.794	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-63.7	129.4	176.1	0	0	0	0	0	111.6	R5	R5-G7 PolarHBondContact O-N 3.07Å
8	A	42.4	Very low	59.4	Low	100 Å²	100	117 Å²	117	83%	0.826	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-62.1	132.1	169.5	0	0	0	0	0	109.6	A10	A8-A10 PolarHBondContact O-N 2.82Å; A8-A10 VanDerWaalsContact O-N 3.11Å
9	A	43.6	Very low	60.9	Low	97 Å²	97	117.9 Å²	117.9	80%	0.802	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-53.1	118.2	174.8	0	0	0	0	0	110.3	K11	A9-K11 PolarHBondContact O-N 2.91Å
10	A	51	Low	62.2	Low	97 Å²	97	113.5 Å²	113.5	80%	0.802	62%	0.62	S	S	*	*			trans	-62	106	-179.6	0	0	0	0	0	109.8	A8 L12	A8-A10 PolarHBondContact O-N 2.82Å; A8-A10 VanDerWaalsContact O-N 3.11Å; A10-L12 PolarHBondContact O-N 2.88Å
11	K	57.7	Low	63.3	Low	195 Å²	195	111.4 Å²	111.4	85%	0.848	61%	0.608	S	S	*	*			trans	-56.5	115.4	169.1	-79.6	179.8	179	176.3	0	108.1	A9 R13	A9-K11 PolarHBondContact O-N 2.91Å; K11-R13 PolarHBondContact O-N 3.25Å
12	L	63.8	Low	65.5	Low	145 Å²	145	103.9 Å²	103.9	76%	0.759	57%	0.566	S	S	*	*			trans	-55.4	112	173.3	-73.6	164.7	0	0	0	109.1	A10	A10-L12 PolarHBondContact O-N 2.88Å
13	R	79.3	Confident	67.7	Low	129 Å²	129	101.4 Å²	101.4	49%	0.487	54%	0.544	S	S	.	.			trans	-66.3	144.5	178.4	-66.7	-70.9	-172.7	148	5.4	109.2	K11 N21 L29 Q35 A38	K11-R13 PolarHBondContact O-N 3.25Å; R13-N21 PolarHBondContact O-ND2 3.18Å; R13-L29 HydrophobicContact CB-CD2 4.17Å; R13-L29 WeakPolarHBondContact O-CD2 3.22Å; R13-Q35 PolarHBondContact NH1-O 2.98Å; R13-A38 HydrophobicContact CB-CB 4.37Å
14	K	89.9	Confident	69.8	Low	144 Å²	144	106.9 Å²	106.9	63%	0.626	55%	0.549	S	S	*	.			trans	-111.6	147.6	177.7	-63.7	178.5	-178.5	-179.6	0	108.9
15	C	92	Very high	72	Confident	2 Å²	2	102.2 Å²	102.2	1%	0.014	53%	0.527	C	S	.	.			trans	-65	135.8	174.4	169.7	0	0	0	0	111.2	F17 C18 R19 T20 L29 A38 H40	C15-F17 VanDerWaalsContact C-N 3.3Å; C15-F17 PolarHBondContact O-N 3.2Å; C15-F17 PolarHBondContact SG-N 3.24Å; C15-C18 WeakPolarHBondContact CB-SG 3.41Å; C15-R19 WeakPolarHBondContact O-CA 3.39Å; C15-R19 PolarHBondContact O-N 3.44Å; C15-T20 PolarHBondContact N-O 3.16Å; C15-L29 HydrophobicContact CB-CD1 3.75Å; C15-A38 CarbonylContact C-O 3.5Å; C15-A38 WeakPolarHBondContact CA-O 3.45Å; C15-H40 VanDerWaalsContact CB-CE1 3.43Å; C15-H40 WeakPolarHBondContact CB-CE1 3.06Å; C15-H40 WeakPolarHBondContact CB-ND1 3.46Å; C15-H40 PolarHBondContact SG-N 3.4Å; C15-H40 VanDerWaalsContact SG-N 3.38Å; C15-H40 PolarHBondContact SG-ND1 2.82Å
16	A	90.8	Very high	73.8	Confident	30 Å²	30	90.6 Å²	90.6	25%	0.248	48%	0.483	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-24.8	-177.9	0	0	0	0	0	113.6	A38 I73	A16-A38 WeakPolarHBondContact CB-O 3.34Å; A16-A38 PolarHBondContact N-O 2.94Å; A16-I73 HydrophobicContact CB-CD1 3.49Å; A16-I73 VanDerWaalsContact CB-CD1 3.49Å; A16-I73 HydrophobicContact CB-CG1 3.89Å; A16-I73 HydrophobicContact CB-CG2 4.24Å
17	F	91.8	Very high	76	Confident	3 Å²	3	81.7 Å²	81.7	1%	0.013	45%	0.45	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-62.4	177.3	-63	-79.9	0	0	0	111.6	C15 A39 C43 M44 L50 V69 E72 I73 G88 T90	C15-F17 VanDerWaalsContact C-N 3.3Å; C15-F17 PolarHBondContact O-N 3.2Å; C15-F17 PolarHBondContact SG-N 3.24Å; F17-A39 HydrophobicContact CD2-CB 3.69Å; F17-A39 HydrophobicContact CE2-CB 3.57Å; F17-C43 HydrophobicContact CB-CB 4.06Å; F17-C43 HydrophobicContact CD2-CB 4.06Å; F17-C43 HydrophobicContact CG-CB 4.28Å; F17-M44 HydrophobicContact CD2-CG 4.33Å; F17-M44 HydrophobicContact CE2-CG 3.56Å; F17-M44 HydrophobicContact CZ-CG 4.23Å; F17-L50 HydrophobicContact CZ-CD1 4.17Å; F17-V69 HydrophobicContact CE2-CG1 4.14Å; F17-V69 HydrophobicContact CZ-CG1 4.08Å; F17-E72 HydrophobicContact CE1-CB 4.28Å; F17-E72 HydrophobicContact CE1-CG 3.9Å; F17-E72 HydrophobicContact CZ-CB 4.49Å; F17-E72 HydrophobicContact CZ-CG 4.39Å; F17-I73 HydrophobicContact CD1-CG1 4.2Å; F17-I73 HydrophobicContact CD2-CG1 4.48Å; F17-I73 HydrophobicContact CE1-CG1 3.69Å; F17-I73 HydrophobicContact CE2-CD1 4.42Å; F17-I73 HydrophobicContact CE2-CG1 4Å; F17-I73 HydrophobicContact CZ-CD1 4.33Å; F17-I73 HydrophobicContact CZ-CG1 3.59Å; F17-G88 WeakPolarHBondContact O-CA 3.31Å; F17-T90 HydrophobicContact CD1-CG2 3.72Å; F17-T90 WeakPolarHBondContact CD1-OG1 3.42Å; F17-T90 HydrophobicContact CE1-CG2 3.93Å
18	C	90.4	Very high	78.4	Confident	6 Å²	6	84.8 Å²	84.8	4%	0.041	44%	0.444	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-10	-174.3	68.2	0	0	0	0	114.1	C15 T20 H40 H103 Y105	C15-C18 WeakPolarHBondContact CB-SG 3.41Å; C18-T20 WeakPolarHBondContact O-CG2 3.47Å; C18-T20 PolarHBondContact O-N 3.14Å; C18-T20 VanDerWaalsContact O-N 3.08Å; C18-T20 PolarHBondContact SG-OG1 2.83Å; C18-H40 PolarHBondContact SG-ND1 3.07Å; C18-H40 VanDerWaalsContact SG-ND1 3.39Å; C18-H103 HydrophobicContact CB-CB 4.44Å; C18-Y105 HydrophobicContact CB-CD1 4.21Å; C18-Y105 HydrophobicContact CB-CE1 3.8Å
19	R	88.7	Confident	80.7	Confident	135 Å²	135	81.4 Å²	81.4	51%	0.509	41%	0.411	S	S	.	.			trans	56.1	21.7	-176.9	-53.9	-175.9	-178.7	-168	0.3	113.8	C15 N77	C15-R19 WeakPolarHBondContact O-CA 3.39Å; C15-R19 PolarHBondContact O-N 3.44Å; R19-N77 PolarHBondContact NH2-OD1 3.43Å
20	T	87.1	Confident	82.8	Confident	28 Å²	28	78.3 Å²	78.3	17%	0.172	38%	0.381	C	S	.	.	S	Bend	trans	-121.2	169	177.1	69	0	0	0	0	111.3	C15 C18 H40	C15-T20 PolarHBondContact N-O 3.16Å; C18-T20 WeakPolarHBondContact O-CG2 3.47Å; C18-T20 PolarHBondContact O-N 3.14Å; C18-T20 VanDerWaalsContact O-N 3.08Å; C18-T20 PolarHBondContact SG-OG1 2.83Å; T20-H40 PolarHBondContact O-CE1 3.42Å
21	N	84.8	Confident	84.5	Confident	71 Å²	71	77 Å²	77	38%	0.38	36%	0.363	S	S	.	.			trans	-114.8	65.1	171.4	-171.7	-49.3	0	0	0	107.5	R13 D23	R13-N21 PolarHBondContact O-ND2 3.18Å; N21-D23 PolarHBondContact OD1-OD1 3.23Å
22	R	81.3	Confident	85.7	Confident	86 Å²	86	67.8 Å²	67.8	33%	0.325	32%	0.323	S	S	.	.			trans	-109.3	57.8	-175.7	-76	-179.6	167.3	-128.7	1.8	111	K24 E25 C26	R22-K24 PolarHBondContact O-N 3.44Å; R22-E25 WeakPolarHBondContact CD-OE2 3.43Å; R22-E25 IonicContact CZ-OE2 2.53Å; R22-E25 IonicContact NH1-OE1 3.98Å; R22-E25 PolarHBondContact NH1-OE1 2.82Å; R22-E25 IonicContact NH1-OE2 2.7Å; R22-E25 PolarHBondContact NH1-OE2 3.13Å; R22-E25 PolarHBondContact O-N 2.96Å; R22-E25 VanDerWaalsContact O-N 3.08Å; R22-C26 PolarHBondContact O-N 2.72Å
23	D	83.2	Confident	86.3	Confident	62 Å²	62	66.3 Å²	66.3	33%	0.332	32%	0.316	S	S	.	.	H	α-helix	trans	-61.8	-32.7	-171.3	-59	3.9	0	0	0	112.2	N21 E25 G27 H40	N21-D23 PolarHBondContact OD1-OD1 3.23Å; D23-E25 VanDerWaalsContact C-N 3.31Å; D23-E25 PolarHBondContact O-N 3.45Å; D23-G27 WeakPolarHBondContact CA-O 3.32Å; D23-G27 CarbonylContact O-C 3.51Å; D23-G27 VanDerWaalsContact O-C 3.25Å; D23-G27 VanDerWaalsContact O-CA 3.24Å; D23-G27 WeakPolarHBondContact O-CA 3.33Å; D23-G27 PolarHBondContact O-N 3.19Å; D23-G27 VanDerWaalsContact O-O 3.06Å; D23-H40 IonicContact OD1-CD2 3.32Å; D23-H40 PolarHBondContact OD1-CD2 3.17Å; D23-H40 IonicContact OD1-CE1 3.27Å; D23-H40 IonicContact OD1-NE2 3.39Å; D23-H40 PolarHBondContact OD1-NE2 3.43Å
24	K	82.3	Confident	86.1	Confident	216 Å²	216	62.7 Å²	62.7	94%	0.939	31%	0.306	S	S	*	.	H	α-helix	trans	-62.9	-33.8	176.4	-65.3	-174.6	179.5	-176.7	0	113.6	R22	R22-K24 PolarHBondContact O-N 3.44Å
25	E	85.6	Confident	85.4	Confident	75 Å²	75	61.9 Å²	61.9	35%	0.35	31%	0.305	S	S	.	.	H	α-helix	trans	-95.9	-40.6	-176	-65.3	174.7	177.6	0	0	111.4	R22 D23 Y104	R22-E25 WeakPolarHBondContact CD-OE2 3.43Å; R22-E25 IonicContact CZ-OE2 2.53Å; R22-E25 IonicContact NH1-OE1 3.98Å; R22-E25 PolarHBondContact NH1-OE1 2.82Å; R22-E25 IonicContact NH1-OE2 2.7Å; R22-E25 PolarHBondContact NH1-OE2 3.13Å; R22-E25 PolarHBondContact O-N 2.96Å; R22-E25 VanDerWaalsContact O-N 3.08Å; D23-E25 VanDerWaalsContact C-N 3.31Å; D23-E25 PolarHBondContact O-N 3.45Å; E25-Y104 WeakPolarHBondContact O-CE1 3.39Å
26	C	85	Confident	84.8	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-95.2	-2.4	-173.8	-60.3	0	0	0	0	113.6	R22 H40 K42	R22-C26 PolarHBondContact O-N 2.72Å; C26-H40 HydrophobicContact CB-CB 3.58Å; C26-H40 VanDerWaalsContact CB-CG 3.43Å; C26-H40 WeakPolarHBondContact CB-ND1 3.49Å; C26-H40 WeakPolarHBondContact O-CB 3.41Å; C26-K42 WeakPolarHBondContact O-CB 3.35Å; C26-K42 VanDerWaalsContact O-CG 3.31Å; C26-K42 WeakPolarHBondContact O-CG 3.18Å; C26-K42 PolarHBondContact O-N 2.86Å; C26-K42 VanDerWaalsContact O-N 3.09Å
27	G	86.9	Confident	84.6	Confident	17 Å²	17	68.9 Å²	68.9	18%	0.175	33%	0.33	C	S	.	.			trans	83.1	-179.6	-172.4	0	0	0	0	0	112.9	D23 L29 H40	D23-G27 WeakPolarHBondContact CA-O 3.32Å; D23-G27 CarbonylContact O-C 3.51Å; D23-G27 VanDerWaalsContact O-C 3.25Å; D23-G27 VanDerWaalsContact O-CA 3.24Å; D23-G27 WeakPolarHBondContact O-CA 3.33Å; D23-G27 PolarHBondContact O-N 3.19Å; D23-G27 VanDerWaalsContact O-O 3.06Å; G27-L29 PolarHBondContact O-N 3.38Å; G27-H40 PolarHBondContact O-CD2 3.08Å
28	Q	88.6	Confident	84.5	Confident	143 Å²	143	69.2 Å²	69.2	67%	0.668	33%	0.334	S	S	*	.			trans	-55.7	135.4	-175.9	-171.4	177.6	16.8	0	0	112	L30 H40 H41	Q28-L30 HydrophobicContact CB-CD2 4.4Å; Q28-L30 HydrophobicContact CG-CD2 3.97Å; Q28-L30 PolarHBondContact O-N 3Å; Q28-H40 WeakPolarHBondContact O-CA 3.47Å; Q28-H41 PolarHBondContact O-N 2.79Å
29	L	90.3	Very high	84.6	Confident	29 Å²	29	69 Å²	69	15%	0.152	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	110.3	170.6	-174.2	69.6	0	0	0	109.1	R13 C15 G27 A38	R13-L29 HydrophobicContact CB-CD2 4.17Å; R13-L29 WeakPolarHBondContact O-CD2 3.22Å; C15-L29 HydrophobicContact CB-CD1 3.75Å; G27-L29 PolarHBondContact O-N 3.38Å; L29-A38 HydrophobicContact CD1-CB 4.18Å; L29-A38 HydrophobicContact CD2-CB 4.49Å; L29-A38 HydrophobicContact CG-CB 4.35Å
30	L	88.8	Confident	84.8	Confident	32 Å²	32	62.5 Å²	62.5	17%	0.168	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	146.3	177.4	-57.2	179.2	0	0	0	109.6	Q28 A38 A39 H41 M44 I61	Q28-L30 HydrophobicContact CB-CD2 4.4Å; Q28-L30 HydrophobicContact CG-CD2 3.97Å; Q28-L30 PolarHBondContact O-N 3Å; L30-A38 CarbonylContact O-C 3.5Å; L30-A38 WeakPolarHBondContact O-CA 3.46Å; L30-A39 PolarHBondContact N-O 2.82Å; L30-A39 PolarHBondContact O-N 3.12Å; L30-H41 HydrophobicContact CD1-CB 4.21Å; L30-M44 HydrophobicContact CB-CE 4.38Å; L30-M44 HydrophobicContact CD1-CE 3.96Å; L30-I61 HydrophobicContact CB-CG2 3.79Å; L30-I61 HydrophobicContact CD1-CG2 4.31Å
31	V	86.9	Confident	84.9	Confident	68 Å²	68	64.5 Å²	64.5	41%	0.412	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	138.3	-177.6	-174.8	0	0	0	0	108.2	Q35 V37 A38	V31-Q35 HydrophobicContact CG1-CB 4.45Å; V31-V37 WeakPolarHBondContact CA-O 3.32Å; V31-A38 HydrophobicContact CG2-CB 4.13Å
32	S	83.3	Confident	85.2	Confident	3 Å²	3	64.3 Å²	64.3	2%	0.021	31%	0.311	C	S	.	.			trans	-67.4	155.7	175.9	48.8	0	0	0	0	110.9	N34 Q35 K36 V37 I61	S32-N34 WeakPolarHBondContact CB-OD1 3.37Å; S32-N34 PolarHBondContact O-N 2.93Å; S32-N34 PolarHBondContact OG-OD1 2.89Å; S32-Q35 WeakPolarHBondContact O-CA 2.93Å; S32-Q35 PolarHBondContact O-N 3.43Å; S32-K36 PolarHBondContact OG-N 2.92Å; S32-V37 PolarHBondContact N-O 2.97Å; S32-V37 PolarHBondContact OG-N 3.41Å; S32-V37 VanDerWaalsContact OG-N 3.1Å; S32-V37 PolarHBondContact OG-O 2.96Å; S32-I61 VanDerWaalsContact CA-CD1 3.5Å
33	D	75.8	Confident	85.7	Confident	113 Å²	113	60.3 Å²	60.3	60%	0.604	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-37.5	177.1	-53.5	-44.6	0	0	0	112.3	Q35	D33-Q35 PolarHBondContact O-N 3.3Å
34	N	76.1	Confident	86.1	Confident	53 Å²	53	57.4 Å²	57.4	28%	0.283	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	5	174.9	58.3	33.6	0	0	0	114.6	S32 K36 R70	S32-N34 WeakPolarHBondContact CB-OD1 3.37Å; S32-N34 PolarHBondContact O-N 2.93Å; S32-N34 PolarHBondContact OG-OD1 2.89Å; N34-K36 WeakPolarHBondContact O-CG 3.34Å; N34-K36 PolarHBondContact O-N 3.38Å; N34-K36 PolarHBondContact OD1-N 3.07Å; N34-R70 PolarHBondContact ND2-NH2 3.08Å; N34-R70 PolarHBondContact OD1-NH2 2.84Å
35	Q	75.1	Confident	86.5	Confident	128 Å²	128	48 Å²	48	60%	0.598	24%	0.241	S	C	*	.	S	Bend	trans	53	17.2	179.8	-56.2	-171.3	26.8	0	0	116.2	R13 V31 S32 D33	R13-Q35 PolarHBondContact NH1-O 2.98Å; V31-Q35 HydrophobicContact CG1-CB 4.45Å; S32-Q35 WeakPolarHBondContact O-CA 2.93Å; S32-Q35 PolarHBondContact O-N 3.43Å; D33-Q35 PolarHBondContact O-N 3.3Å
36	K	79.2	Confident	86.7	Confident	165 Å²	165	44.7 Å²	44.7	72%	0.717	23%	0.225	S	C	*	.	S	Bend	trans	-87.4	-27	-178.9	-71.2	179.8	-177.7	179.9	0	113	S32 N34	S32-K36 PolarHBondContact OG-N 2.92Å; N34-K36 WeakPolarHBondContact O-CG 3.34Å; N34-K36 PolarHBondContact O-N 3.38Å; N34-K36 PolarHBondContact OD1-N 3.07Å
37	V	85.7	Confident	86.9	Confident	13 Å²	13	44.9 Å²	44.9	8%	0.079	23%	0.226	C	C	.	.			trans	-124.9	133.3	-175.7	-177.2	0	0	0	0	109.2	V31 S32 I61 V69 R70 I73	V31-V37 WeakPolarHBondContact CA-O 3.32Å; S32-V37 PolarHBondContact N-O 2.97Å; S32-V37 PolarHBondContact OG-N 3.41Å; S32-V37 VanDerWaalsContact OG-N 3.1Å; S32-V37 PolarHBondContact OG-O 2.96Å; V37-I61 HydrophobicContact CB-CD1 4.15Å; V37-I61 HydrophobicContact CG1-CD1 4.15Å; V37-V69 HydrophobicContact CG1-CG1 4.04Å; V37-R70 HydrophobicContact CG2-CG 3.93Å; V37-I73 HydrophobicContact CG1-CD1 3.67Å
38	A	90.4	Very high	86.5	Confident	11 Å²	11	47.8 Å²	47.8	9%	0.091	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	129.9	170.5	0	0	0	0	0	108.8	R13 C15 A16 L29 L30 V31	R13-A38 HydrophobicContact CB-CB 4.37Å; C15-A38 CarbonylContact C-O 3.5Å; C15-A38 WeakPolarHBondContact CA-O 3.45Å; A16-A38 WeakPolarHBondContact CB-O 3.34Å; A16-A38 PolarHBondContact N-O 2.94Å; L29-A38 HydrophobicContact CD1-CB 4.18Å; L29-A38 HydrophobicContact CD2-CB 4.49Å; L29-A38 HydrophobicContact CG-CB 4.35Å; L30-A38 CarbonylContact O-C 3.5Å; L30-A38 WeakPolarHBondContact O-CA 3.46Å; V31-A38 HydrophobicContact CG2-CB 4.13Å
39	A	91.3	Very high	86	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	142.5	-177.8	0	0	0	0	0	111.1	F17 L30 M44	F17-A39 HydrophobicContact CD2-CB 3.69Å; F17-A39 HydrophobicContact CE2-CB 3.57Å; L30-A39 PolarHBondContact N-O 2.82Å; L30-A39 PolarHBondContact O-N 3.12Å; A39-M44 HydrophobicContact CB-CE 4.17Å; A39-M44 HydrophobicContact CB-CG 3.84Å; A39-M44 HydrophobicContact CB-SD 3.61Å
40	H	93.3	Very high	85.4	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	141.2	175.1	-64.5	120.1	0	0	0	110.9	C15 C18 T20 D23 C26 G27 Q28 K42 C43 M44	C15-H40 VanDerWaalsContact CB-CE1 3.43Å; C15-H40 WeakPolarHBondContact CB-CE1 3.06Å; C15-H40 WeakPolarHBondContact CB-ND1 3.46Å; C15-H40 PolarHBondContact SG-N 3.4Å; C15-H40 VanDerWaalsContact SG-N 3.38Å; C15-H40 PolarHBondContact SG-ND1 2.82Å; C18-H40 PolarHBondContact SG-ND1 3.07Å; C18-H40 VanDerWaalsContact SG-ND1 3.39Å; T20-H40 PolarHBondContact O-CE1 3.42Å; D23-H40 IonicContact OD1-CD2 3.32Å; D23-H40 PolarHBondContact OD1-CD2 3.17Å; D23-H40 IonicContact OD1-CE1 3.27Å; D23-H40 IonicContact OD1-NE2 3.39Å; D23-H40 PolarHBondContact OD1-NE2 3.43Å; C26-H40 HydrophobicContact CB-CB 3.58Å; C26-H40 VanDerWaalsContact CB-CG 3.43Å; C26-H40 WeakPolarHBondContact CB-ND1 3.49Å; C26-H40 WeakPolarHBondContact O-CB 3.41Å; G27-H40 PolarHBondContact O-CD2 3.08Å; Q28-H40 WeakPolarHBondContact O-CA 3.47Å; H40-K42 PolarHBondContact O-N 3.38Å; H40-C43 HydrophobicContact CB-CB 4.01Å; H40-C43 WeakPolarHBondContact O-CB 3.18Å; H40-C43 PolarHBondContact O-N 2.74Å; H40-M44 PolarHBondContact O-N 2.93Å; H40-M44 VanDerWaalsContact O-N 3.12Å
41	H	90.4	Very high	84.4	Confident	70 Å²	70	47.4 Å²	47.4	32%	0.324	26%	0.259	S	S	.	.	H	α-helix	trans	-52.6	-50.1	179.9	-173.9	-115.3	0	0	0	112.5	Q28 L30 C43 M44 L45	Q28-H41 PolarHBondContact O-N 2.79Å; L30-H41 HydrophobicContact CD1-CB 4.21Å; H41-C43 VanDerWaalsContact C-N 3.33Å; H41-C43 PolarHBondContact O-N 3.11Å; H41-M44 PolarHBondContact O-N 2.78Å; H41-M44 VanDerWaalsContact O-N 3.16Å; H41-L45 WeakPolarHBondContact O-CB 3.4Å; H41-L45 PolarHBondContact O-N 3.35Å
42	K	91.1	Very high	83.5	Confident	67 Å²	67	46.7 Å²	46.7	29%	0.291	26%	0.255	S	S	.	.	H	α-helix	trans	-71	-26.8	179.6	-53.1	-171.6	176.2	-161.4	0	113.2	C26 H40 M44 F46 Y104	C26-K42 WeakPolarHBondContact O-CB 3.35Å; C26-K42 VanDerWaalsContact O-CG 3.31Å; C26-K42 WeakPolarHBondContact O-CG 3.18Å; C26-K42 PolarHBondContact O-N 2.86Å; C26-K42 VanDerWaalsContact O-N 3.09Å; H40-K42 PolarHBondContact O-N 3.38Å; K42-M44 VanDerWaalsContact C-N 3.26Å; K42-M44 PolarHBondContact O-N 2.74Å; K42-F46 HydrophobicContact CB-CD2 4.26Å; K42-F46 HydrophobicContact CB-CE2 4.47Å; K42-F46 WeakPolarHBondContact O-CD2 3.41Å; K42-F46 PolarHBondContact O-N 2.71Å; K42-Y104 HydrophobicContact CB-CD1 3.91Å; K42-Y104 HydrophobicContact CB-CD2 4.09Å; K42-Y104 HydrophobicContact CB-CE1 3.93Å; K42-Y104 HydrophobicContact CB-CE2 4.09Å; K42-Y104 HydrophobicContact CB-CG 4Å; K42-Y104 HydrophobicContact CD-CD1 4.34Å; K42-Y104 HydrophobicContact CD-CE1 3.55Å; K42-Y104 HydrophobicContact CD-CE2 4.26Å; K42-Y104 VanDerWaalsContact CD-CZ 3.5Å; K42-Y104 WeakPolarHBondContact CD-OH 3.24Å; K42-Y104 HydrophobicContact CG-CE1 4.39Å
43	C	91.8	Very high	82.3	Confident	2 Å²	2	48.2 Å²	48.2	1%	0.014	27%	0.265	C	S	.	.	H	α-helix	trans	-66	-32.2	173.1	-72.1	0	0	0	0	112	F17 H40 H41	F17-C43 HydrophobicContact CB-CB 4.06Å; F17-C43 HydrophobicContact CD2-CB 4.06Å; F17-C43 HydrophobicContact CG-CB 4.28Å; H40-C43 HydrophobicContact CB-CB 4.01Å; H40-C43 WeakPolarHBondContact O-CB 3.18Å; H40-C43 PolarHBondContact O-N 2.74Å; H41-C43 VanDerWaalsContact C-N 3.33Å; H41-C43 PolarHBondContact O-N 3.11Å
44	M	91.6	Very high	81.4	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-79.1	-47.6	174.4	-68.9	178.5	-62.8	0	0	111.5	F17 L30 A39 H40 H41 K42 F46 S47 L50 I61 F64 V69	F17-M44 HydrophobicContact CD2-CG 4.33Å; F17-M44 HydrophobicContact CE2-CG 3.56Å; F17-M44 HydrophobicContact CZ-CG 4.23Å; L30-M44 HydrophobicContact CB-CE 4.38Å; L30-M44 HydrophobicContact CD1-CE 3.96Å; A39-M44 HydrophobicContact CB-CE 4.17Å; A39-M44 HydrophobicContact CB-CG 3.84Å; A39-M44 HydrophobicContact CB-SD 3.61Å; H40-M44 PolarHBondContact O-N 2.93Å; H40-M44 VanDerWaalsContact O-N 3.12Å; H41-M44 PolarHBondContact O-N 2.78Å; H41-M44 VanDerWaalsContact O-N 3.16Å; K42-M44 VanDerWaalsContact C-N 3.26Å; K42-M44 PolarHBondContact O-N 2.74Å; M44-F46 VanDerWaalsContact C-N 3.29Å; M44-F46 PolarHBondContact O-N 2.89Å; M44-S47 WeakPolarHBondContact O-CB 3.38Å; M44-S47 PolarHBondContact O-N 3.22Å; M44-L50 HydrophobicContact CB-CD1 3.89Å; M44-L50 HydrophobicContact CG-CD1 4.14Å; M44-L50 WeakPolarHBondContact O-CD1 3.19Å; M44-I61 HydrophobicContact CE-CG2 3.46Å; M44-I61 VanDerWaalsContact CE-CG2 3.46Å; M44-I61 HydrophobicContact SD-CG2 3.46Å; M44-I61 WeakPolarHBondContact SD-CG2 3.44Å; M44-F64 HydrophobicContact CB-CD2 4.05Å; M44-F64 HydrophobicContact CB-CE2 3.88Å; M44-F64 HydrophobicContact CB-CZ 4.29Å; M44-F64 HydrophobicContact CE-CD2 4.46Å; M44-F64 HydrophobicContact SD-CD2 4.34Å; M44-V69 HydrophobicContact SD-CG1 4.22Å; M44-V69 HydrophobicContact SD-CG2 4.05Å
45	L	89.8	Confident	80.3	Confident	20 Å²	20	52.2 Å²	52.2	11%	0.105	29%	0.286	C	S	.	.	H	α-helix	trans	-58.4	-38	-173.9	-164.6	63.2	0	0	0	113.7	H41 T52 F64 Y123	H41-L45 WeakPolarHBondContact O-CB 3.4Å; H41-L45 PolarHBondContact O-N 3.35Å; L45-T52 HydrophobicContact CD1-CG2 4.35Å; L45-F64 HydrophobicContact CB-CZ 4.47Å; L45-F64 HydrophobicContact CD1-CZ 3.87Å; L45-Y123 HydrophobicContact CD1-CD1 4.34Å; L45-Y123 HydrophobicContact CD1-CD2 3.66Å; L45-Y123 HydrophobicContact CD1-CE1 4.19Å; L45-Y123 HydrophobicContact CD1-CE2 3.47Å; L45-Y123 VanDerWaalsContact CD1-CE2 3.47Å; L45-Y123 HydrophobicContact CD1-CG 4.09Å; L45-Y123 HydrophobicContact CD2-CD1 3.56Å; L45-Y123 HydrophobicContact CD2-CD2 4.4Å; L45-Y123 HydrophobicContact CD2-CE1 3.37Å; L45-Y123 HydrophobicContact CD2-CE2 4.24Å; L45-Y123 HydrophobicContact CD2-CG 4.08Å; L45-Y123 HydrophobicContact CG-CD1 3.63Å; L45-Y123 HydrophobicContact CG-CD2 3.72Å; L45-Y123 HydrophobicContact CG-CE1 3.79Å; L45-Y123 HydrophobicContact CG-CE2 3.87Å; L45-Y123 HydrophobicContact CG-CG 3.6Å
46	F	89.9	Confident	79.2	Confident	5 Å²	5	54.3 Å²	54.3	2%	0.022	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94	6.6	179.3	-73.9	-84.2	0	0	0	114	K42 M44 S48 V91 Y104 V114 E116 Y123 V125	K42-F46 HydrophobicContact CB-CD2 4.26Å; K42-F46 HydrophobicContact CB-CE2 4.47Å; K42-F46 WeakPolarHBondContact O-CD2 3.41Å; K42-F46 PolarHBondContact O-N 2.71Å; M44-F46 VanDerWaalsContact C-N 3.29Å; M44-F46 PolarHBondContact O-N 2.89Å; F46-S48 PolarHBondContact O-N 2.84Å; F46-V91 HydrophobicContact CB-CG1 4.05Å; F46-V91 HydrophobicContact CB-CG2 3.93Å; F46-Y104 HydrophobicContact CB-CD2 4.13Å; F46-Y104 AromaticContact CD2-CD2 3.46Å; F46-Y104 HydrophobicContact CD2-CD2 3.46Å; F46-Y104 VanDerWaalsContact CD2-CD2 3.46Å; F46-Y104 AromaticContact CD2-CE2 3.38Å; F46-Y104 HydrophobicContact CD2-CE2 3.38Å; F46-Y104 AromaticContact CE2-CD2 3.94Å; F46-Y104 HydrophobicContact CE2-CD2 3.94Å; F46-Y104 AromaticContact CE2-CE2 3.33Å; F46-Y104 HydrophobicContact CE2-CE2 3.33Å; F46-Y104 AromaticContact CG-CD2 3.85Å; F46-Y104 HydrophobicContact CG-CD2 3.85Å; F46-Y104 HydrophobicContact CG-CE2 4.02Å; F46-Y104 AromaticContact CZ-CE2 3.92Å; F46-Y104 HydrophobicContact CZ-CE2 3.92Å; F46-V114 HydrophobicContact CD1-CG1 4.2Å; F46-V114 HydrophobicContact CE1-CG1 3.24Å; F46-V114 HydrophobicContact CE2-CG1 4.26Å; F46-V114 HydrophobicContact CZ-CG1 3.23Å; F46-E116 HydrophobicContact CE1-CG 4.16Å; F46-E116 HydrophobicContact CE2-CG 4.36Å; F46-E116 HydrophobicContact CZ-CG 3.44Å; F46-E116 VanDerWaalsContact CZ-CG 3.44Å; F46-E116 VanDerWaalsContact CZ-OE1 3.31Å; F46-E116 WeakPolarHBondContact CZ-OE1 3.24Å; F46-Y123 HydrophobicContact CE1-CD1 4.42Å; F46-Y123 HydrophobicContact CE2-CD1 4.38Å; F46-Y123 HydrophobicContact CZ-CD1 4.13Å; F46-V125 HydrophobicContact CD1-CG2 3.71Å; F46-V125 HydrophobicContact CE1-CG2 4.24Å; F46-V125 HydrophobicContact CG-CG2 4.47Å
47	S	88.5	Confident	77.8	Confident	3 Å²	3	48.7 Å²	48.7	2%	0.021	28%	0.282	C	S	.	.			trans	-75.5	123.4	178.5	-156.9	0	0	0	0	109.7	M44 A49 L50 E72 T90	M44-S47 WeakPolarHBondContact O-CB 3.38Å; M44-S47 PolarHBondContact O-N 3.22Å; S47-A49 PolarHBondContact O-N 2.87Å; S47-L50 PolarHBondContact O-N 3.44Å; S47-L50 VanDerWaalsContact O-N 3.08Å; S47-E72 VanDerWaalsContact OG-CD 3.28Å; S47-E72 WeakPolarHBondContact OG-CG 3.45Å; S47-E72 PolarHBondContact OG-OE1 2.86Å; S47-T90 WeakPolarHBondContact OG-CB 3.48Å; S47-T90 PolarHBondContact OG-OG1 2.86Å
48	S	79.8	Confident	76.3	Confident	79 Å²	79	56 Å²	56	55%	0.552	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-16	-167.5	-51.7	0	0	0	0	115.9	F46 T90 G92	F46-S48 PolarHBondContact O-N 2.84Å; S48-T90 PolarHBondContact N-O 3.41Å; S48-G92 PolarHBondContact OG-N 3.07Å
49	A	76.8	Confident	75	Confident	58 Å²	58	59.9 Å²	59.9	48%	0.479	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.1	13.4	178.2	0	0	0	0	0	113.6	S47 E72	S47-A49 PolarHBondContact O-N 2.87Å; A49-E72 WeakPolarHBondContact CB-OE1 3.48Å; A49-E72 VanDerWaalsContact CB-OE2 3.31Å; A49-E72 WeakPolarHBondContact CB-OE2 3.33Å; A49-E72 PolarHBondContact N-OE1 3.17Å
50	L	77.3	Confident	74.1	Confident	17 Å²	17	63.4 Å²	63.4	9%	0.089	36%	0.356	C	S	.	.			trans	-97.4	122.4	170.1	-70.6	177.6	0	0	0	109.8	F17 M44 S47 F64 D68 V69 E72	F17-L50 HydrophobicContact CZ-CD1 4.17Å; M44-L50 HydrophobicContact CB-CD1 3.89Å; M44-L50 HydrophobicContact CG-CD1 4.14Å; M44-L50 WeakPolarHBondContact O-CD1 3.19Å; S47-L50 PolarHBondContact O-N 3.44Å; S47-L50 VanDerWaalsContact O-N 3.08Å; L50-F64 HydrophobicContact CB-CD1 3.99Å; L50-F64 HydrophobicContact CB-CE1 3.98Å; L50-D68 HydrophobicContact CD2-CB 4Å; L50-V69 HydrophobicContact CD1-CG2 4.24Å; L50-V69 HydrophobicContact CD2-CG2 4.17Å; L50-E72 HydrophobicContact CD1-CB 4.34Å; L50-E72 HydrophobicContact CD1-CG 4.12Å; L50-E72 HydrophobicContact CD2-CB 3.88Å; L50-E72 HydrophobicContact CD2-CG 4.27Å; L50-E72 HydrophobicContact CG-CB 4.01Å; L50-E72 HydrophobicContact CG-CG 3.84Å
51	V	69.4	Low	73.4	Confident	120 Å²	120	63.6 Å²	63.6	73%	0.727	36%	0.357	S	S	*	.			trans	-105.5	132.2	170.4	-176.6	0	0	0	0	107.1	S53	V51-S53 PolarHBondContact O-N 2.66Å
52	T	67.1	Low	72.4	Confident	54 Å²	54	62 Å²	62	33%	0.331	36%	0.359	S	S	.	.			trans	-64.1	123.2	172	43.4	0	0	0	0	109	L45 F64	L45-T52 HydrophobicContact CD1-CG2 4.35Å; T52-F64 HydrophobicContact CG2-CD1 4.24Å; T52-F64 HydrophobicContact CG2-CE1 3.46Å; T52-F64 VanDerWaalsContact CG2-CE1 3.46Å; T52-F64 HydrophobicContact CG2-CE2 4.27Å; T52-F64 HydrophobicContact CG2-CZ 3.46Å; T52-F64 VanDerWaalsContact CG2-CZ 3.46Å
53	S	59.1	Low	71.8	Confident	35 Å²	35	60.4 Å²	60.4	25%	0.245	36%	0.362	C	S	.	.			trans	-96.9	119.8	179.6	57.2	0	0	0	0	109.5	V51 S55 G63	V51-S53 PolarHBondContact O-N 2.66Å; S53-S55 PolarHBondContact O-N 3.06Å; S53-G63 PolarHBondContact N-O 3.12Å; S53-G63 PolarHBondContact OG-O 3.48Å
54	H	55.3	Low	71.3	Confident	182 Å²	182	60.5 Å²	60.5	84%	0.843	36%	0.362	S	S	*	.			trans	-80	7.4	169.9	-69.5	-73.6	0	0	0	113.2
55	S	53	Low	71	Confident	68 Å²	68	61.4 Å²	61.4	48%	0.476	37%	0.369	S	S	.	.	S	Bend	trans	-81.9	132.7	-179.6	53.4	0	0	0	0	111.4	S53 C57	S53-S55 PolarHBondContact O-N 3.06Å; S55-C57 PolarHBondContact O-N 3.07Å
56	D	51.7	Low	70.7	Confident	172 Å²	172	60.5 Å²	60.5	92%	0.92	36%	0.364	S	S	*	.			trans	-69.7	52.1	174.2	-59.3	-46.9	0	0	0	112.5
57	C	51.3	Low	70.5	Confident	47 Å²	47	66.1 Å²	66.1	32%	0.318	39%	0.39	S	S	.	.			trans	-79.8	132.3	171.9	60.2	0	0	0	0	109.8	S55 E59	S55-C57 PolarHBondContact O-N 3.07Å; C57-E59 PolarHBondContact O-N 3.49Å
58	N	54.4	Low	70.4	Confident	166 Å²	166	69 Å²	69	89%	0.888	41%	0.406	S	S	*	.	S	Bend	trans	-62.2	-1.1	-170.8	-129	13.1	0	0	0	116
59	E	62.8	Low	70.8	Confident	93 Å²	93	65.2 Å²	65.2	44%	0.435	38%	0.379	S	S	.	.			trans	-135.9	92.2	178.2	-63.7	-167	173.8	0	0	110.6	C57 V66	C57-E59 PolarHBondContact O-N 3.49Å; E59-V66 HydrophobicContact CB-CG2 4.34Å; E59-V66 PolarHBondContact O-N 3.14Å
60	N	72.4	Confident	71.4	Confident	74 Å²	74	66.4 Å²	66.4	40%	0.396	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	152.7	178.7	64.2	42	0	0	0	111.9	F64	N60-F64 CarbonylContact C-O 3.6Å; N60-F64 VanDerWaalsContact CA-O 3.31Å; N60-F64 WeakPolarHBondContact CA-O 3.44Å
61	I	77.3	Confident	72	Confident	3 Å²	3	71.6 Å²	71.6	2%	0.015	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	112.3	166.4	-85.3	-178.5	0	0	0	105.8	L30 S32 V37 M44 G63 F64 V66	L30-I61 HydrophobicContact CB-CG2 3.79Å; L30-I61 HydrophobicContact CD1-CG2 4.31Å; S32-I61 VanDerWaalsContact CA-CD1 3.5Å; V37-I61 HydrophobicContact CB-CD1 4.15Å; V37-I61 HydrophobicContact CG1-CD1 4.15Å; M44-I61 HydrophobicContact CE-CG2 3.46Å; M44-I61 VanDerWaalsContact CE-CG2 3.46Å; M44-I61 HydrophobicContact SD-CG2 3.46Å; M44-I61 WeakPolarHBondContact SD-CG2 3.44Å; I61-G63 PolarHBondContact O-N 3.4Å; I61-G63 VanDerWaalsContact O-N 3.13Å; I61-F64 PolarHBondContact N-O 3.28Å; I61-F64 WeakPolarHBondContact O-CB 3.15Å; I61-F64 WeakPolarHBondContact O-CD2 3.34Å; I61-F64 PolarHBondContact O-N 3.38Å; I61-V66 HydrophobicContact CG1-CG2 4.12Å
62	G	70.3	Confident	73	Confident	37 Å²	37	66.2 Å²	66.2	38%	0.381	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	38.1	172	0	0	0	0	0	114.8	F64	G62-F64 WeakPolarHBondContact O-CD2 3.47Å; G62-F64 WeakPolarHBondContact O-CE2 3.23Å
63	G	78.1	Confident	74.2	Confident	34 Å²	34	64.9 Å²	64.9	35%	0.351	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.2	7.5	-178	0	0	0	0	0	115.6	S53 I61	S53-G63 PolarHBondContact N-O 3.12Å; S53-G63 PolarHBondContact OG-O 3.48Å; I61-G63 PolarHBondContact O-N 3.4Å; I61-G63 VanDerWaalsContact O-N 3.13Å
64	F	82.3	Confident	75.6	Confident	3 Å²	3	70.3 Å²	70.3	1%	0.013	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	141.1	175.2	-58.2	-85.4	0	0	0	111.7	M44 L45 L50 T52 N60 I61 G62 V66 V69	M44-F64 HydrophobicContact CB-CD2 4.05Å; M44-F64 HydrophobicContact CB-CE2 3.88Å; M44-F64 HydrophobicContact CB-CZ 4.29Å; M44-F64 HydrophobicContact CE-CD2 4.46Å; M44-F64 HydrophobicContact SD-CD2 4.34Å; L45-F64 HydrophobicContact CB-CZ 4.47Å; L45-F64 HydrophobicContact CD1-CZ 3.87Å; L50-F64 HydrophobicContact CB-CD1 3.99Å; L50-F64 HydrophobicContact CB-CE1 3.98Å; T52-F64 HydrophobicContact CG2-CD1 4.24Å; T52-F64 HydrophobicContact CG2-CE1 3.46Å; T52-F64 VanDerWaalsContact CG2-CE1 3.46Å; T52-F64 HydrophobicContact CG2-CE2 4.27Å; T52-F64 HydrophobicContact CG2-CZ 3.46Å; T52-F64 VanDerWaalsContact CG2-CZ 3.46Å; N60-F64 CarbonylContact C-O 3.6Å; N60-F64 VanDerWaalsContact CA-O 3.31Å; N60-F64 WeakPolarHBondContact CA-O 3.44Å; I61-F64 PolarHBondContact N-O 3.28Å; I61-F64 WeakPolarHBondContact O-CB 3.15Å; I61-F64 WeakPolarHBondContact O-CD2 3.34Å; I61-F64 PolarHBondContact O-N 3.38Å; G62-F64 WeakPolarHBondContact O-CD2 3.47Å; G62-F64 WeakPolarHBondContact O-CE2 3.23Å; F64-V66 PolarHBondContact O-N 2.81Å; F64-V69 HydrophobicContact CB-CG2 3.69Å
65	S	84.4	Confident	77.4	Confident	20 Å²	20	65.5 Å²	65.5	14%	0.14	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	126.4	168.3	169.5	0	0	0	0	111	Q67 D68 V69	S65-Q67 PolarHBondContact O-N 2.94Å; S65-Q67 VanDerWaalsContact O-N 3.16Å; S65-Q67 PolarHBondContact OG-N 2.78Å; S65-D68 PolarHBondContact O-N 3.18Å; S65-D68 VanDerWaalsContact O-N 3.12Å; S65-V69 WeakPolarHBondContact O-CG2 3.44Å; S65-V69 PolarHBondContact O-N 3.21Å
66	V	84.2	Confident	79.1	Confident	1 Å²	1	62.3 Å²	62.3	1%	0.006	32%	0.322	C	S	.	.	H	α-helix	trans	-58.6	-30.6	178.1	174.7	0	0	0	0	111.6	E59 I61 F64 R70	E59-V66 HydrophobicContact CB-CG2 4.34Å; E59-V66 PolarHBondContact O-N 3.14Å; I61-V66 HydrophobicContact CG1-CG2 4.12Å; F64-V66 PolarHBondContact O-N 2.81Å; V66-R70 WeakPolarHBondContact O-CG 3.49Å; V66-R70 PolarHBondContact O-N 2.82Å
67	Q	85.1	Confident	80.9	Confident	123 Å²	123	57.4 Å²	57.4	58%	0.575	30%	0.296	S	S	*	.	H	α-helix	trans	-66.7	-43.9	178	-64.1	-172.9	6.4	0	0	111.9	S65 R70 K71	S65-Q67 PolarHBondContact O-N 2.94Å; S65-Q67 VanDerWaalsContact O-N 3.16Å; S65-Q67 PolarHBondContact OG-N 2.78Å; Q67-R70 WeakPolarHBondContact O-CB 3.41Å; Q67-R70 PolarHBondContact O-N 2.86Å; Q67-K71 WeakPolarHBondContact O-CG 3.48Å; Q67-K71 PolarHBondContact O-N 3.32Å
68	D	86.7	Confident	82.6	Confident	63 Å²	63	62.2 Å²	62.2	34%	0.337	31%	0.311	S	S	.	.	H	α-helix	trans	-72.5	-37.8	-179.5	-63.7	-32.3	0	0	0	111	L50 S65 R70 K71 E72	L50-D68 HydrophobicContact CD2-CB 4Å; S65-D68 PolarHBondContact O-N 3.18Å; S65-D68 VanDerWaalsContact O-N 3.12Å; D68-R70 VanDerWaalsContact C-N 3.28Å; D68-R70 PolarHBondContact O-N 2.97Å; D68-K71 PolarHBondContact O-N 3.01Å; D68-K71 IonicContact OD1-NZ 3.83Å; D68-K71 PolarHBondContact OD1-NZ 3.37Å; D68-E72 VanDerWaalsContact O-CB 3.27Å; D68-E72 WeakPolarHBondContact O-CB 3.4Å; D68-E72 PolarHBondContact O-N 3.4Å
69	V	88.8	Confident	84.3	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-55.8	-43.5	169.4	176.4	0	0	0	0	111	F17 V37 M44 L50 F64 S65 E72 I73	F17-V69 HydrophobicContact CE2-CG1 4.14Å; F17-V69 HydrophobicContact CZ-CG1 4.08Å; V37-V69 HydrophobicContact CG1-CG1 4.04Å; M44-V69 HydrophobicContact SD-CG1 4.22Å; M44-V69 HydrophobicContact SD-CG2 4.05Å; L50-V69 HydrophobicContact CD1-CG2 4.24Å; L50-V69 HydrophobicContact CD2-CG2 4.17Å; F64-V69 HydrophobicContact CB-CG2 3.69Å; S65-V69 WeakPolarHBondContact O-CG2 3.44Å; S65-V69 PolarHBondContact O-N 3.21Å; V69-E72 PolarHBondContact O-N 3.15Å; V69-I73 HydrophobicContact CG1-CD1 3.83Å; V69-I73 HydrophobicContact CG1-CG1 4.48Å; V69-I73 WeakPolarHBondContact O-CD1 3.48Å; V69-I73 WeakPolarHBondContact O-CG1 3.14Å; V69-I73 PolarHBondContact O-N 3.23Å
70	R	88.6	Confident	85.7	Confident	82 Å²	82	55 Å²	55	31%	0.309	27%	0.274	S	S	.	.	H	α-helix	trans	-65.9	-43.8	176.7	-76.7	175.5	-178.6	152	5.9	113	N34 V37 V66 Q67 D68 E72 I73 K74	N34-R70 PolarHBondContact ND2-NH2 3.08Å; N34-R70 PolarHBondContact OD1-NH2 2.84Å; V37-R70 HydrophobicContact CG2-CG 3.93Å; V66-R70 WeakPolarHBondContact O-CG 3.49Å; V66-R70 PolarHBondContact O-N 2.82Å; Q67-R70 WeakPolarHBondContact O-CB 3.41Å; Q67-R70 PolarHBondContact O-N 2.86Å; D68-R70 VanDerWaalsContact C-N 3.28Å; D68-R70 PolarHBondContact O-N 2.97Å; R70-E72 PolarHBondContact O-N 2.9Å; R70-I73 PolarHBondContact O-N 2.94Å; R70-K74 WeakPolarHBondContact O-CG 3.48Å; R70-K74 PolarHBondContact O-N 2.82Å
71	K	89.1	Confident	86.8	Confident	127 Å²	127	51.4 Å²	51.4	55%	0.552	26%	0.255	S	S	*	.	H	α-helix	trans	-59.2	-41.3	174.9	-69.4	172.8	-164.5	155.7	0	110.2	Q67 D68 K74 R75	Q67-K71 WeakPolarHBondContact O-CG 3.48Å; Q67-K71 PolarHBondContact O-N 3.32Å; D68-K71 PolarHBondContact O-N 3.01Å; D68-K71 IonicContact OD1-NZ 3.83Å; D68-K71 PolarHBondContact OD1-NZ 3.37Å; K71-K74 WeakPolarHBondContact O-CB 3.12Å; K71-K74 PolarHBondContact O-N 3.19Å; K71-R75 PolarHBondContact O-N 3.19Å
72	E	92	Very high	87.5	Confident	7 Å²	7	57.2 Å²	57.2	3%	0.033	28%	0.276	C	S	.	.	H	α-helix	trans	-70.5	-37.5	-178.9	-168.8	73.1	162.1	0	0	112.9	F17 S47 A49 L50 D68 V69 R70 K74 R75 G76 T90	F17-E72 HydrophobicContact CE1-CB 4.28Å; F17-E72 HydrophobicContact CE1-CG 3.9Å; F17-E72 HydrophobicContact CZ-CB 4.49Å; F17-E72 HydrophobicContact CZ-CG 4.39Å; S47-E72 VanDerWaalsContact OG-CD 3.28Å; S47-E72 WeakPolarHBondContact OG-CG 3.45Å; S47-E72 PolarHBondContact OG-OE1 2.86Å; A49-E72 WeakPolarHBondContact CB-OE1 3.48Å; A49-E72 VanDerWaalsContact CB-OE2 3.31Å; A49-E72 WeakPolarHBondContact CB-OE2 3.33Å; A49-E72 PolarHBondContact N-OE1 3.17Å; L50-E72 HydrophobicContact CD1-CB 4.34Å; L50-E72 HydrophobicContact CD1-CG 4.12Å; L50-E72 HydrophobicContact CD2-CB 3.88Å; L50-E72 HydrophobicContact CD2-CG 4.27Å; L50-E72 HydrophobicContact CG-CB 4.01Å; L50-E72 HydrophobicContact CG-CG 3.84Å; D68-E72 VanDerWaalsContact O-CB 3.27Å; D68-E72 WeakPolarHBondContact O-CB 3.4Å; D68-E72 PolarHBondContact O-N 3.4Å; V69-E72 PolarHBondContact O-N 3.15Å; R70-E72 PolarHBondContact O-N 2.9Å; E72-K74 VanDerWaalsContact C-N 3.33Å; E72-K74 PolarHBondContact O-N 3.27Å; E72-R75 VanDerWaalsContact CD-NE 3.35Å; E72-R75 WeakPolarHBondContact O-CB 3.15Å; E72-R75 PolarHBondContact O-N 2.74Å; E72-R75 IonicContact OE1-CZ 3.36Å; E72-R75 IonicContact OE1-NE 3.06Å; E72-R75 PolarHBondContact OE1-NE 3.42Å; E72-R75 IonicContact OE1-NH2 2.81Å; E72-R75 PolarHBondContact OE1-NH2 2.82Å; E72-R75 IonicContact OE2-CZ 3.22Å; E72-R75 IonicContact OE2-NE 3.19Å; E72-R75 PolarHBondContact OE2-NE 3.41Å; E72-R75 IonicContact OE2-NH2 3.21Å; E72-G76 PolarHBondContact O-N 3.08Å; E72-T90 HydrophobicContact CG-CG2 4.21Å
73	I	90.9	Very high	88.5	Confident	25 Å²	25	57.5 Å²	57.5	13%	0.128	27%	0.273	C	S	.	.	H	α-helix	trans	-60.6	-44.6	170.2	-69.4	159.7	0	0	0	110.4	A16 F17 V37 V69 R70 R75 G76 N77	A16-I73 HydrophobicContact CB-CD1 3.49Å; A16-I73 VanDerWaalsContact CB-CD1 3.49Å; A16-I73 HydrophobicContact CB-CG1 3.89Å; A16-I73 HydrophobicContact CB-CG2 4.24Å; F17-I73 HydrophobicContact CD1-CG1 4.2Å; F17-I73 HydrophobicContact CD2-CG1 4.48Å; F17-I73 HydrophobicContact CE1-CG1 3.69Å; F17-I73 HydrophobicContact CE2-CD1 4.42Å; F17-I73 HydrophobicContact CE2-CG1 4Å; F17-I73 HydrophobicContact CZ-CD1 4.33Å; F17-I73 HydrophobicContact CZ-CG1 3.59Å; V37-I73 HydrophobicContact CG1-CD1 3.67Å; V69-I73 HydrophobicContact CG1-CD1 3.83Å; V69-I73 HydrophobicContact CG1-CG1 4.48Å; V69-I73 WeakPolarHBondContact O-CD1 3.48Å; V69-I73 WeakPolarHBondContact O-CG1 3.14Å; V69-I73 PolarHBondContact O-N 3.23Å; R70-I73 PolarHBondContact O-N 2.94Å; I73-R75 VanDerWaalsContact C-N 3.33Å; I73-R75 PolarHBondContact O-N 3.09Å; I73-G76 PolarHBondContact O-N 3.43Å; I73-N77 PolarHBondContact O-N 3.47Å; I73-N77 PolarHBondContact O-ND2 3.3Å
74	K	89.8	Confident	89.1	Confident	150 Å²	150	57.9 Å²	57.9	65%	0.652	27%	0.269	S	S	*	.	H	α-helix	trans	-61.4	-40.6	176.2	-72.3	179.2	-180	-174.9	0	111.7	R70 K71 E72	R70-K74 WeakPolarHBondContact O-CG 3.48Å; R70-K74 PolarHBondContact O-N 2.82Å; K71-K74 WeakPolarHBondContact O-CB 3.12Å; K71-K74 PolarHBondContact O-N 3.19Å; E72-K74 VanDerWaalsContact C-N 3.33Å; E72-K74 PolarHBondContact O-N 3.27Å
75	R	91.9	Very high	89.4	Confident	81 Å²	81	62.5 Å²	62.5	31%	0.306	29%	0.291	S	S	.	.	H	α-helix	trans	-62.7	-49.2	172.7	-171.5	-173.9	71.2	94.2	4.7	110.7	K71 E72 I73 N77 K78 L79 T90	K71-R75 PolarHBondContact O-N 3.19Å; E72-R75 VanDerWaalsContact CD-NE 3.35Å; E72-R75 WeakPolarHBondContact O-CB 3.15Å; E72-R75 PolarHBondContact O-N 2.74Å; E72-R75 IonicContact OE1-CZ 3.36Å; E72-R75 IonicContact OE1-NE 3.06Å; E72-R75 PolarHBondContact OE1-NE 3.42Å; E72-R75 IonicContact OE1-NH2 2.81Å; E72-R75 PolarHBondContact OE1-NH2 2.82Å; E72-R75 IonicContact OE2-CZ 3.22Å; E72-R75 IonicContact OE2-NE 3.19Å; E72-R75 PolarHBondContact OE2-NE 3.41Å; E72-R75 IonicContact OE2-NH2 3.21Å; I73-R75 VanDerWaalsContact C-N 3.33Å; I73-R75 PolarHBondContact O-N 3.09Å; R75-N77 VanDerWaalsContact C-N 3.29Å; R75-N77 PolarHBondContact O-N 3.22Å; R75-K78 WeakPolarHBondContact O-CB 3.02Å; R75-K78 PolarHBondContact O-N 3.3Å; R75-L79 HydrophobicContact CG-CD1 4.22Å; R75-T90 PolarHBondContact NH2-O 2.93Å
76	G	89.4	Confident	89.6	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-57.2	-37.1	179.9	0	0	0	0	0	113.9	E72 I73 K78 L79 G88	E72-G76 PolarHBondContact O-N 3.08Å; I73-G76 PolarHBondContact O-N 3.43Å; G76-K78 PolarHBondContact O-N 3.24Å; G76-K78 VanDerWaalsContact O-N 3.13Å; G76-L79 PolarHBondContact O-N 2.78Å; G76-L79 VanDerWaalsContact O-O 3.08Å; G76-G88 WeakPolarHBondContact O-CA 3.42Å; G76-G88 PolarHBondContact O-N 3.3Å
77	N	89.4	Confident	89.9	Confident	70 Å²	70	71.2 Å²	71.2	37%	0.374	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-22.4	175.3	-76.4	-29.8	0	0	0	113.4	R19 I73 R75	R19-N77 PolarHBondContact NH2-OD1 3.43Å; I73-N77 PolarHBondContact O-N 3.47Å; I73-N77 PolarHBondContact O-ND2 3.3Å; R75-N77 VanDerWaalsContact C-N 3.29Å; R75-N77 PolarHBondContact O-N 3.22Å
78	K	87.4	Confident	90.2	Very high	148 Å²	148	65.5 Å²	65.5	64%	0.643	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-8.6	175.6	-55.7	179	-178.2	-176.7	0	113.1	R75 G76	R75-K78 WeakPolarHBondContact O-CB 3.02Å; R75-K78 PolarHBondContact O-N 3.3Å; G76-K78 PolarHBondContact O-N 3.24Å; G76-K78 VanDerWaalsContact O-N 3.13Å
79	L	90.3	Very high	90.5	Very high	42 Å²	42	62.5 Å²	62.5	22%	0.22	28%	0.283	C	S	.	.			trans	-106.8	129.5	-174.9	-61.3	173.2	0	0	0	111.2	R75 G76 P87 G88 A89 T101	R75-L79 HydrophobicContact CG-CD1 4.22Å; G76-L79 PolarHBondContact O-N 2.78Å; G76-L79 VanDerWaalsContact O-O 3.08Å; L79-P87 VanDerWaalsContact O-CA 3.32Å; L79-P87 WeakPolarHBondContact O-CA 3.29Å; L79-G88 PolarHBondContact O-N 2.93Å; L79-A89 WeakPolarHBondContact CB-O 3.43Å; L79-A89 PolarHBondContact O-N 3.09Å; L79-T101 HydrophobicContact CD1-CG2 4.49Å
80	M	91.4	Very high	90.7	Very high	64 Å²	64	62.6 Å²	62.6	32%	0.315	28%	0.283	S	S	.	.	B	Isolated β-bridge	trans	-100	127.3	-176.4	-67.1	-62.6	-78.4	0	0	110.9	W82 H85 P87 T101	M80-W82 PolarHBondContact O-N 3.45Å; M80-H85 WeakPolarHBondContact CE-O 3.26Å; M80-P87 HydrophobicContact SD-CB 4.08Å; M80-T101 PolarHBondContact O-OG1 3.48Å
81	C	94.4	Very high	91	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	27%	0.269	C	S	.	.			trans	-60.3	129.8	177	-169.6	0	0	0	0	111.1	S83 C84 H85 R86 A89 T101 H103 C106	C81-S83 VanDerWaalsContact C-N 3.27Å; C81-S83 PolarHBondContact O-N 2.92Å; C81-C84 WeakPolarHBondContact CB-SG 3.38Å; C81-H85 WeakPolarHBondContact O-CA 3.38Å; C81-H85 PolarHBondContact O-N 3.48Å; C81-R86 WeakPolarHBondContact CB-O 3.38Å; C81-R86 PolarHBondContact N-O 3.05Å; C81-A89 HydrophobicContact CB-CB 3.65Å; C81-A89 VanDerWaalsContact N-CB 3.3Å; C81-T101 CarbonylContact C-O 3.46Å; C81-T101 WeakPolarHBondContact CA-O 2.82Å; C81-H103 PolarHBondContact SG-N 3.33Å; C81-H103 PolarHBondContact SG-ND1 3.11Å; C81-C106 VanDerWaalsContact SG-CB 3.5Å; C81-C106 VanDerWaalsContact SG-SG 3.67Å
82	W	92	Very high	91.3	Very high	124 Å²	124	53.2 Å²	53.2	47%	0.47	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-31.6	177.5	-174.6	-91.3	0	0	0	112.8	M80 H85 R100 T101 Y102	M80-W82 PolarHBondContact O-N 3.45Å; W82-H85 PolarHBondContact O-CE1 2.9Å; W82-R100 HydrophobicContact CD2-CG 3.79Å; W82-R100 VanDerWaalsContact CE2-NE 3.34Å; W82-R100 HydrophobicContact CE3-CG 3.78Å; W82-R100 HydrophobicContact CG-CG 4.15Å; W82-R100 HydrophobicContact CZ3-CG 4.25Å; W82-T101 WeakPolarHBondContact CB-O 3.16Å; W82-T101 PolarHBondContact N-O 3.35Å; W82-Y102 HydrophobicContact CB-CD1 4.08Å; W82-Y102 HydrophobicContact CB-CE1 3.65Å; W82-Y102 HydrophobicContact CB-CE2 4.44Å; W82-Y102 AromaticContact CD1-CE1 3.97Å; W82-Y102 HydrophobicContact CG-CE1 4.15Å
83	S	91.4	Very high	91.4	Very high	44 Å²	44	53.5 Å²	53.5	31%	0.308	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-52.9	-177.5	179.3	0	0	0	0	112.6	C81	C81-S83 VanDerWaalsContact C-N 3.27Å; C81-S83 PolarHBondContact O-N 2.92Å
84	C	90.8	Very high	91.5	Very high	41 Å²	41	55.9 Å²	55.9	28%	0.277	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-4.5	-173.9	76.1	0	0	0	0	114.5	C81 R86 H103	C81-C84 WeakPolarHBondContact CB-SG 3.38Å; C84-R86 PolarHBondContact O-N 3.23Å; C84-H103 PolarHBondContact SG-CE1 3Å; C84-H103 PolarHBondContact SG-ND1 3.2Å
85	H	88.5	Confident	91.5	Very high	100 Å²	100	50.3 Å²	50.3	46%	0.463	24%	0.243	S	C	.	.			trans	52.8	35	-179.4	-56.8	-62.9	0	0	0	114.5	M80 C81 W82	M80-H85 WeakPolarHBondContact CE-O 3.26Å; C81-H85 WeakPolarHBondContact O-CA 3.38Å; C81-H85 PolarHBondContact O-N 3.48Å; W82-H85 PolarHBondContact O-CE1 2.9Å
86	R	88.8	Confident	91.2	Very high	171 Å²	171	56.6 Å²	56.6	65%	0.645	27%	0.272	S	S	*	.			trans	-114	152.4	173.2	-65.7	-179.4	-176.2	-174.9	-0.1	110.8	C81 C84	C81-R86 WeakPolarHBondContact CB-O 3.38Å; C81-R86 PolarHBondContact N-O 3.05Å; C84-R86 PolarHBondContact O-N 3.23Å
87	P	91.3	Very high	91	Very high	34 Å²	34	62.4 Å²	62.4	22%	0.221	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-66.8	166.6	177.3	28.2	-35.8	0	0	0	112.3	L79 M80 H103	L79-P87 VanDerWaalsContact O-CA 3.32Å; L79-P87 WeakPolarHBondContact O-CA 3.29Å; M80-P87 HydrophobicContact SD-CB 4.08Å; P87-H103 PolarHBondContact O-NE2 3.02Å
88	G	90.6	Very high	91	Very high	2 Å²	2	60.2 Å²	60.2	2%	0.021	30%	0.298	C	S	.	.			trans	94.9	11.6	178.5	0	0	0	0	0	114.3	F17 G76 L79 T90 H103	F17-G88 WeakPolarHBondContact O-CA 3.31Å; G76-G88 WeakPolarHBondContact O-CA 3.42Å; G76-G88 PolarHBondContact O-N 3.3Å; L79-G88 PolarHBondContact O-N 2.93Å; G88-T90 PolarHBondContact O-N 3.4Å; G88-H103 PolarHBondContact O-CD2 3.31Å; G88-H103 VanDerWaalsContact O-CD2 3.31Å
89	A	93.2	Very high	91.2	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	31%	0.309	C	S	.	.			trans	-85.8	83.7	-176.6	0	0	0	0	0	111.6	L79 C81 T101 Y102	L79-A89 WeakPolarHBondContact CB-O 3.43Å; L79-A89 PolarHBondContact O-N 3.09Å; C81-A89 HydrophobicContact CB-CB 3.65Å; C81-A89 VanDerWaalsContact N-CB 3.3Å; A89-T101 WeakPolarHBondContact O-CB 3.48Å; A89-T101 PolarHBondContact O-OG1 3.43Å; A89-T101 VanDerWaalsContact O-OG1 3.05Å; A89-Y102 CarbonylContact C-O 3.5Å; A89-Y102 VanDerWaalsContact C-O 3.27Å; A89-Y102 VanDerWaalsContact CA-O 3.23Å; A89-Y102 WeakPolarHBondContact CA-O 2.94Å; A89-Y102 VanDerWaalsContact CB-C 3.45Å; A89-Y102 WeakPolarHBondContact CB-O 3.34Å
90	T	94.4	Very high	91.3	Very high	2 Å²	2	64 Å²	64	1%	0.012	31%	0.305	C	S	.	.			trans	-90.2	-11.2	-175.4	55.4	0	0	0	0	114.6	F17 S47 S48 E72 R75 G88 G92 Y102	F17-T90 HydrophobicContact CD1-CG2 3.72Å; F17-T90 WeakPolarHBondContact CD1-OG1 3.42Å; F17-T90 HydrophobicContact CE1-CG2 3.93Å; S47-T90 WeakPolarHBondContact OG-CB 3.48Å; S47-T90 PolarHBondContact OG-OG1 2.86Å; S48-T90 PolarHBondContact N-O 3.41Å; E72-T90 HydrophobicContact CG-CG2 4.21Å; R75-T90 PolarHBondContact NH2-O 2.93Å; G88-T90 PolarHBondContact O-N 3.4Å; T90-G92 PolarHBondContact O-N 3.06Å; T90-Y102 PolarHBondContact N-O 3.18Å
91	V	94.8	Very high	91.5	Very high	1 Å²	1	61.9 Å²	61.9	1%	0.006	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	98.4	179.3	-177.3	0	0	0	0	109.2	F46 T101 Y102 V125	F46-V91 HydrophobicContact CB-CG1 4.05Å; F46-V91 HydrophobicContact CB-CG2 3.93Å; V91-T101 CarbonylContact O-C 3.57Å; V91-T101 VanDerWaalsContact O-CA 3.3Å; V91-T101 WeakPolarHBondContact O-CA 3.3Å; V91-Y102 VanDerWaalsContact CB-O 3.3Å; V91-Y102 WeakPolarHBondContact CB-O 3.5Å; V91-Y102 PolarHBondContact N-O 2.76Å; V91-Y102 PolarHBondContact O-N 3.41Å; V91-V125 HydrophobicContact CG1-CB 3.85Å; V91-V125 HydrophobicContact CG1-CG1 4.23Å; V91-V125 HydrophobicContact CG1-CG2 3.43Å; V91-V125 VanDerWaalsContact CG1-CG2 3.43Å
92	G	94.1	Very high	91.5	Very high	12 Å²	12	61.9 Å²	61.9	12%	0.124	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	154.8	179.3	0	0	0	0	0	113.2	S48 T90	S48-G92 PolarHBondContact OG-N 3.07Å; T90-G92 PolarHBondContact O-N 3.06Å
93	C	93.9	Very high	91.7	Very high	12 Å²	12	56.2 Å²	56.2	8%	0.081	28%	0.275	C	S	.	.			trans	-67.3	134.8	162.5	-173.2	0	0	0	0	109.6	V95 C98 R100 V125 C127	C93-V95 VanDerWaalsContact C-N 3.27Å; C93-V95 PolarHBondContact O-N 3.48Å; C93-C98 HydrophobicContact CB-CB 3.78Å; C93-R100 HydrophobicContact CB-CB 4.47Å; C93-R100 PolarHBondContact N-O 3.38Å; C93-V125 CarbonylContact C-O 3.52Å; C93-V125 VanDerWaalsContact CA-O 3.24Å; C93-V125 WeakPolarHBondContact CA-O 3.44Å; C93-C127 HydrophobicContact CB-CB 4.23Å; C93-C127 PolarHBondContact SG-N 3.31Å
94	D	93	Very high	91.8	Very high	75 Å²	75	55 Å²	55	40%	0.401	26%	0.263	S	S	.	.	S	Bend	trans	-73.4	-16	-174.9	-170	57.5	0	0	0	114.3	K96 L124 V125 Y126	D94-K96 PolarHBondContact O-N 3.46Å; D94-L124 HydrophobicContact CB-CB 4.44Å; D94-V125 PolarHBondContact N-O 3.06Å; D94-Y126 HydrophobicContact CB-CD1 4.17Å; D94-Y126 HydrophobicContact CB-CE1 3.64Å; D94-Y126 PolarHBondContact OD2-OH 3.03Å
95	V	89.9	Confident	91.9	Very high	34 Å²	34	53.9 Å²	53.9	21%	0.206	25%	0.253	C	S	.	.	S	Bend	trans	-68.7	116	170.8	176.2	0	0	0	0	110.1	C93 T97 C98 Y126 H130 A133	C93-V95 VanDerWaalsContact C-N 3.27Å; C93-V95 PolarHBondContact O-N 3.48Å; V95-T97 WeakPolarHBondContact CG1-OG1 3.49Å; V95-T97 PolarHBondContact O-N 3.05Å; V95-T97 VanDerWaalsContact O-N 3.08Å; V95-C98 HydrophobicContact CB-CB 4.08Å; V95-C98 HydrophobicContact CG1-CB 4.39Å; V95-C98 WeakPolarHBondContact O-CA 3.15Å; V95-C98 WeakPolarHBondContact O-CB 3.39Å; V95-C98 PolarHBondContact O-N 3.11Å; V95-Y126 HydrophobicContact CG2-CD1 4.24Å; V95-H130 WeakPolarHBondContact CB-ND1 3.33Å; V95-H130 HydrophobicContact CG2-CB 3.66Å; V95-A133 HydrophobicContact CG2-CB 4.48Å
96	K	86.4	Confident	92.2	Very high	212 Å²	212	49.1 Å²	49.1	92%	0.922	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-33.4	-174.5	-63.6	-178.7	-178.4	175.3	0	115.1	D94 C98	D94-K96 PolarHBondContact O-N 3.46Å; K96-C98 VanDerWaalsContact C-N 3.32Å
97	T	86	Confident	92.4	Very high	123 Å²	123	41 Å²	41	76%	0.755	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-12.4	178.8	57.5	0	0	0	0	113	V95	V95-T97 WeakPolarHBondContact CG1-OG1 3.49Å; V95-T97 PolarHBondContact O-N 3.05Å; V95-T97 VanDerWaalsContact O-N 3.08Å
98	C	89.3	Confident	92.4	Very high	24 Å²	24	42.8 Å²	42.8	16%	0.162	21%	0.211	C	C	.	.			trans	-83.9	127.4	-179.7	-159.9	0	0	0	0	111	C93 V95 K96 H130	C93-C98 HydrophobicContact CB-CB 3.78Å; V95-C98 HydrophobicContact CB-CB 4.08Å; V95-C98 HydrophobicContact CG1-CB 4.39Å; V95-C98 WeakPolarHBondContact O-CA 3.15Å; V95-C98 WeakPolarHBondContact O-CB 3.39Å; V95-C98 PolarHBondContact O-N 3.11Å; K96-C98 VanDerWaalsContact C-N 3.32Å; C98-H130 VanDerWaalsContact CB-CE1 3.48Å; C98-H130 WeakPolarHBondContact CB-CE1 3.18Å; C98-H130 VanDerWaalsContact SG-CE1 3.59Å
99	R	90.7	Very high	92.5	Very high	235 Å²	235	49.7 Å²	49.7	89%	0.887	24%	0.236	S	C	*	.			trans	-98.2	11.1	176.4	-61.4	-174.7	-179.9	178.2	-0.2	113.6	T101	R99-T101 PolarHBondContact O-N 2.94Å
100	R	92.6	Very high	92.3	Very high	33 Å²	33	50.3 Å²	50.3	13%	0.125	24%	0.24	C	C	.	.			trans	-76.3	127.2	-178.7	-69.5	-174.9	173.1	153.6	-11.5	110	W82 C93 Y102 C127 K129	W82-R100 HydrophobicContact CD2-CG 3.79Å; W82-R100 VanDerWaalsContact CE2-NE 3.34Å; W82-R100 HydrophobicContact CE3-CG 3.78Å; W82-R100 HydrophobicContact CG-CG 4.15Å; W82-R100 HydrophobicContact CZ3-CG 4.25Å; C93-R100 HydrophobicContact CB-CB 4.47Å; C93-R100 PolarHBondContact N-O 3.38Å; R100-Y102 HydrophobicContact CB-CE2 3.78Å; R100-C127 HydrophobicContact CB-CB 4.39Å; R100-C127 PolarHBondContact NH1-SG 3.39Å; R100-K129 VanDerWaalsContact NH1-CG 3.25Å
101	T	95	Very high	92.2	Very high	20 Å²	20	57.7 Å²	57.7	12%	0.123	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	152.2	171.8	74.3	0	0	0	0	110	L79 M80 C81 W82 A89 V91 R99	L79-T101 HydrophobicContact CD1-CG2 4.49Å; M80-T101 PolarHBondContact O-OG1 3.48Å; C81-T101 CarbonylContact C-O 3.46Å; C81-T101 WeakPolarHBondContact CA-O 2.82Å; W82-T101 WeakPolarHBondContact CB-O 3.16Å; W82-T101 PolarHBondContact N-O 3.35Å; A89-T101 WeakPolarHBondContact O-CB 3.48Å; A89-T101 PolarHBondContact O-OG1 3.43Å; A89-T101 VanDerWaalsContact O-OG1 3.05Å; V91-T101 CarbonylContact O-C 3.57Å; V91-T101 VanDerWaalsContact O-CA 3.3Å; V91-T101 WeakPolarHBondContact O-CA 3.3Å; R99-T101 PolarHBondContact O-N 2.94Å
102	Y	95.3	Very high	92	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	159.8	-172.5	-63	-90.7	0	0	0	110.4	W82 A89 T90 V91 R100 A107 D110 C127	W82-Y102 HydrophobicContact CB-CD1 4.08Å; W82-Y102 HydrophobicContact CB-CE1 3.65Å; W82-Y102 HydrophobicContact CB-CE2 4.44Å; W82-Y102 AromaticContact CD1-CE1 3.97Å; W82-Y102 HydrophobicContact CG-CE1 4.15Å; A89-Y102 CarbonylContact C-O 3.5Å; A89-Y102 VanDerWaalsContact C-O 3.27Å; A89-Y102 VanDerWaalsContact CA-O 3.23Å; A89-Y102 WeakPolarHBondContact CA-O 2.94Å; A89-Y102 VanDerWaalsContact CB-C 3.45Å; A89-Y102 WeakPolarHBondContact CB-O 3.34Å; T90-Y102 PolarHBondContact N-O 3.18Å; V91-Y102 VanDerWaalsContact CB-O 3.3Å; V91-Y102 WeakPolarHBondContact CB-O 3.5Å; V91-Y102 PolarHBondContact N-O 2.76Å; V91-Y102 PolarHBondContact O-N 3.41Å; R100-Y102 HydrophobicContact CB-CE2 3.78Å; Y102-A107 HydrophobicContact CD1-CB 4.43Å; Y102-A107 HydrophobicContact CD2-CB 4.47Å; Y102-A107 HydrophobicContact CG-CB 4.01Å; Y102-D110 HydrophobicContact CD1-CB 4.4Å; Y102-D110 HydrophobicContact CE1-CB 3.78Å; Y102-D110 WeakPolarHBondContact CE1-OD2 3.43Å; Y102-D110 PolarHBondContact OH-OD2 2.79Å; Y102-C127 HydrophobicContact CE2-CB 3.98Å
103	H	95.4	Very high	92	Very high	6 Å²	6	60.3 Å²	60.3	3%	0.028	28%	0.282	C	S	.	.			trans	-75.2	153.4	150.1	-55.1	109.8	0	0	0	108.2	C18 C81 C84 P87 G88 Y105 C106 A107	C18-H103 HydrophobicContact CB-CB 4.44Å; C81-H103 PolarHBondContact SG-N 3.33Å; C81-H103 PolarHBondContact SG-ND1 3.11Å; C84-H103 PolarHBondContact SG-CE1 3Å; C84-H103 PolarHBondContact SG-ND1 3.2Å; P87-H103 PolarHBondContact O-NE2 3.02Å; G88-H103 PolarHBondContact O-CD2 3.31Å; G88-H103 VanDerWaalsContact O-CD2 3.31Å; H103-Y105 HydrophobicContact CB-CD1 3.76Å; H103-Y105 HydrophobicContact CB-CE1 3.48Å; H103-Y105 VanDerWaalsContact CB-CE1 3.48Å; H103-Y105 AromaticContact CG-CE1 3.92Å; H103-Y105 PolarHBondContact O-N 3.44Å; H103-C106 HydrophobicContact CB-CB 3.96Å; H103-C106 WeakPolarHBondContact O-CB 3.33Å; H103-C106 PolarHBondContact O-N 3.09Å; H103-C106 VanDerWaalsContact O-N 3.08Å; H103-A107 PolarHBondContact O-N 2.84Å
104	Y	94.1	Very high	91.9	Very high	17 Å²	17	61.8 Å²	61.8	7%	0.067	29%	0.291	C	S	.	.	H	α-helix	trans	-51.6	-55.5	179.6	175.2	-96	0	0	0	112.4	E25 K42 F46 C106 A107 V108 V114	E25-Y104 WeakPolarHBondContact O-CE1 3.39Å; K42-Y104 HydrophobicContact CB-CD1 3.91Å; K42-Y104 HydrophobicContact CB-CD2 4.09Å; K42-Y104 HydrophobicContact CB-CE1 3.93Å; K42-Y104 HydrophobicContact CB-CE2 4.09Å; K42-Y104 HydrophobicContact CB-CG 4Å; K42-Y104 HydrophobicContact CD-CD1 4.34Å; K42-Y104 HydrophobicContact CD-CE1 3.55Å; K42-Y104 HydrophobicContact CD-CE2 4.26Å; K42-Y104 VanDerWaalsContact CD-CZ 3.5Å; K42-Y104 WeakPolarHBondContact CD-OH 3.24Å; K42-Y104 HydrophobicContact CG-CE1 4.39Å; F46-Y104 HydrophobicContact CB-CD2 4.13Å; F46-Y104 AromaticContact CD2-CD2 3.46Å; F46-Y104 HydrophobicContact CD2-CD2 3.46Å; F46-Y104 VanDerWaalsContact CD2-CD2 3.46Å; F46-Y104 AromaticContact CD2-CE2 3.38Å; F46-Y104 HydrophobicContact CD2-CE2 3.38Å; F46-Y104 AromaticContact CE2-CD2 3.94Å; F46-Y104 HydrophobicContact CE2-CD2 3.94Å; F46-Y104 AromaticContact CE2-CE2 3.33Å; F46-Y104 HydrophobicContact CE2-CE2 3.33Å; F46-Y104 AromaticContact CG-CD2 3.85Å; F46-Y104 HydrophobicContact CG-CD2 3.85Å; F46-Y104 HydrophobicContact CG-CE2 4.02Å; F46-Y104 AromaticContact CZ-CE2 3.92Å; F46-Y104 HydrophobicContact CZ-CE2 3.92Å; Y104-C106 VanDerWaalsContact C-N 3.29Å; Y104-C106 PolarHBondContact O-N 2.86Å; Y104-A107 WeakPolarHBondContact O-CB 3.34Å; Y104-A107 PolarHBondContact O-N 2.82Å; Y104-A107 VanDerWaalsContact O-N 3.1Å; Y104-V108 HydrophobicContact CE1-CG2 4.21Å; Y104-V108 PolarHBondContact O-N 3.22Å; Y104-V114 HydrophobicContact CE2-CG1 4.36Å
105	Y	93.8	Very high	91.7	Very high	18 Å²	18	62.3 Å²	62.3	7%	0.071	29%	0.29	C	S	.	.	H	α-helix	trans	-62.6	-34.3	179	75.7	-81.8	0	0	0	113.2	C18 H103 A107 V108 W109	C18-Y105 HydrophobicContact CB-CD1 4.21Å; C18-Y105 HydrophobicContact CB-CE1 3.8Å; H103-Y105 HydrophobicContact CB-CD1 3.76Å; H103-Y105 HydrophobicContact CB-CE1 3.48Å; H103-Y105 VanDerWaalsContact CB-CE1 3.48Å; H103-Y105 AromaticContact CG-CE1 3.92Å; H103-Y105 PolarHBondContact O-N 3.44Å; Y105-A107 VanDerWaalsContact C-N 3.33Å; Y105-A107 PolarHBondContact O-N 3.34Å; Y105-V108 PolarHBondContact O-N 3.36Å; Y105-W109 HydrophobicContact CD2-CD2 4.21Å; Y105-W109 AromaticContact CD2-CE3 3.84Å; Y105-W109 HydrophobicContact CD2-CE3 3.84Å; Y105-W109 HydrophobicContact CD2-CH2 4.36Å; Y105-W109 AromaticContact CD2-CZ3 3.92Å; Y105-W109 HydrophobicContact CD2-CZ3 3.92Å; Y105-W109 AromaticContact CE2-CE3 3.92Å; Y105-W109 HydrophobicContact CE2-CE3 3.92Å; Y105-W109 HydrophobicContact CE2-CH2 4.34Å; Y105-W109 AromaticContact CE2-CZ3 3.7Å; Y105-W109 HydrophobicContact CE2-CZ3 3.7Å; Y105-W109 PolarHBondContact O-N 3.49Å
106	C	94.2	Very high	91.7	Very high	1 Å²	1	64.9 Å²	64.9	1%	0.007	30%	0.299	C	S	.	.	H	α-helix	trans	-65.3	-36.5	175.7	-76.1	0	0	0	0	112	C81 H103 Y104 W109 D110	C81-C106 VanDerWaalsContact SG-CB 3.5Å; C81-C106 VanDerWaalsContact SG-SG 3.67Å; H103-C106 HydrophobicContact CB-CB 3.96Å; H103-C106 WeakPolarHBondContact O-CB 3.33Å; H103-C106 PolarHBondContact O-N 3.09Å; H103-C106 VanDerWaalsContact O-N 3.08Å; Y104-C106 VanDerWaalsContact C-N 3.29Å; Y104-C106 PolarHBondContact O-N 2.86Å; C106-W109 PolarHBondContact O-N 2.93Å; C106-D110 VanDerWaalsContact O-CB 3.23Å; C106-D110 WeakPolarHBondContact O-CB 3.44Å; C106-D110 PolarHBondContact O-N 3.47Å
107	A	93.4	Very high	91.7	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-62.9	-45.1	175.2	0	0	0	0	0	110.6	Y102 H103 Y104 Y105 D110 K111 A112 V125	Y102-A107 HydrophobicContact CD1-CB 4.43Å; Y102-A107 HydrophobicContact CD2-CB 4.47Å; Y102-A107 HydrophobicContact CG-CB 4.01Å; H103-A107 PolarHBondContact O-N 2.84Å; Y104-A107 WeakPolarHBondContact O-CB 3.34Å; Y104-A107 PolarHBondContact O-N 2.82Å; Y104-A107 VanDerWaalsContact O-N 3.1Å; Y105-A107 VanDerWaalsContact C-N 3.33Å; Y105-A107 PolarHBondContact O-N 3.34Å; A107-D110 CarbonylContact O-C 3.55Å; A107-D110 PolarHBondContact O-N 2.6Å; A107-K111 PolarHBondContact O-N 3.02Å; A107-A112 HydrophobicContact CB-CB 4Å; A107-A112 WeakPolarHBondContact O-CB 3.04Å; A107-A112 PolarHBondContact O-N 2.81Å; A107-V125 HydrophobicContact CB-CG1 4.03Å
108	V	91.3	Very high	91.5	Very high	72 Å²	72	55.3 Å²	55.3	44%	0.436	26%	0.259	S	S	.	.	H	α-helix	trans	-60.8	-47.5	177.1	-176.5	0	0	0	0	111	Y104 Y105 D110 K111 V114	Y104-V108 HydrophobicContact CE1-CG2 4.21Å; Y104-V108 PolarHBondContact O-N 3.22Å; Y105-V108 PolarHBondContact O-N 3.36Å; V108-D110 VanDerWaalsContact C-N 3.32Å; V108-D110 PolarHBondContact O-N 2.89Å; V108-K111 PolarHBondContact O-N 3.38Å; V108-V114 HydrophobicContact CG2-CG2 4.37Å
109	W	91.8	Very high	91	Very high	146 Å²	146	59.7 Å²	59.7	55%	0.553	29%	0.29	S	S	*	.	H	α-helix	trans	-64	-35.5	176.3	-77.5	-8.8	0	0	0	113.7	Y105 C106 K111	Y105-W109 HydrophobicContact CD2-CD2 4.21Å; Y105-W109 AromaticContact CD2-CE3 3.84Å; Y105-W109 HydrophobicContact CD2-CE3 3.84Å; Y105-W109 HydrophobicContact CD2-CH2 4.36Å; Y105-W109 AromaticContact CD2-CZ3 3.92Å; Y105-W109 HydrophobicContact CD2-CZ3 3.92Å; Y105-W109 AromaticContact CE2-CE3 3.92Å; Y105-W109 HydrophobicContact CE2-CE3 3.92Å; Y105-W109 HydrophobicContact CE2-CH2 4.34Å; Y105-W109 AromaticContact CE2-CZ3 3.7Å; Y105-W109 HydrophobicContact CE2-CZ3 3.7Å; Y105-W109 PolarHBondContact O-N 3.49Å; C106-W109 PolarHBondContact O-N 2.93Å; W109-K111 PolarHBondContact O-N 3.15Å; W109-K111 VanDerWaalsContact O-N 3.14Å
110	D	90.2	Very high	90.3	Very high	13 Å²	13	55.9 Å²	55.9	7%	0.07	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	2.5	174.2	-156.8	56.7	0	0	0	112.1	Y102 C106 A107 V108 A112 R128	Y102-D110 HydrophobicContact CD1-CB 4.4Å; Y102-D110 HydrophobicContact CE1-CB 3.78Å; Y102-D110 WeakPolarHBondContact CE1-OD2 3.43Å; Y102-D110 PolarHBondContact OH-OD2 2.79Å; C106-D110 VanDerWaalsContact O-CB 3.23Å; C106-D110 WeakPolarHBondContact O-CB 3.44Å; C106-D110 PolarHBondContact O-N 3.47Å; A107-D110 CarbonylContact O-C 3.55Å; A107-D110 PolarHBondContact O-N 2.6Å; V108-D110 VanDerWaalsContact C-N 3.32Å; V108-D110 PolarHBondContact O-N 2.89Å; D110-A112 PolarHBondContact O-N 3.34Å; D110-R128 WeakPolarHBondContact O-CD 3.34Å; D110-R128 WeakPolarHBondContact O-CG 3.47Å; D110-R128 PolarHBondContact O-NE 2.73Å; D110-R128 IonicContact OD1-CZ 3.65Å; D110-R128 VanDerWaalsContact OD1-CZ 3.22Å; D110-R128 IonicContact OD1-NE 3.66Å; D110-R128 PolarHBondContact OD1-NE 3.01Å; D110-R128 IonicContact OD1-NH2 2.74Å; D110-R128 PolarHBondContact OD1-NH2 2.87Å; D110-R128 IonicContact OD2-CZ 3.5Å; D110-R128 IonicContact OD2-NE 2.74Å; D110-R128 PolarHBondContact OD2-NE 3.17Å; D110-R128 IonicContact OD2-NH2 3.38Å
111	K	91.2	Very high	89.7	Confident	157 Å²	157	56.2 Å²	56.2	68%	0.683	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.8	32.3	-174	-50.1	-177.1	179.7	-175.4	0	112.7	A107 V108 W109 R128	A107-K111 PolarHBondContact O-N 3.02Å; V108-K111 PolarHBondContact O-N 3.38Å; W109-K111 PolarHBondContact O-N 3.15Å; W109-K111 VanDerWaalsContact O-N 3.14Å; K111-R128 HydrophobicContact CB-CG 4.34Å
112	A	91.6	Very high	89	Confident	11 Å²	11	56.7 Å²	56.7	9%	0.091	30%	0.3	C	S	.	.			trans	-65.5	148.3	165.8	0	0	0	0	0	109.3	A107 D110 V125 Y126	A107-A112 HydrophobicContact CB-CB 4Å; A107-A112 WeakPolarHBondContact O-CB 3.04Å; A107-A112 PolarHBondContact O-N 2.81Å; D110-A112 PolarHBondContact O-N 3.34Å; A112-V125 HydrophobicContact CB-CG1 3.91Å; A112-Y126 CarbonylContact C-O 3.59Å; A112-Y126 WeakPolarHBondContact CA-O 3.48Å; A112-Y126 WeakPolarHBondContact CB-O 3.27Å
113	Q	93.3	Very high	88.8	Confident	57 Å²	57	59.3 Å²	59.3	27%	0.266	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	125.4	174	-177.7	-177.2	23.2	0	0	109.1	V125 Y126 R131 S134	Q113-V125 CarbonylContact O-C 3.59Å; Q113-V125 WeakPolarHBondContact O-CA 3.4Å; Q113-Y126 PolarHBondContact N-O 3.26Å; Q113-Y126 PolarHBondContact O-N 3.28Å; Q113-R131 HydrophobicContact CB-CB 4.44Å; Q113-R131 HydrophobicContact CB-CG 3.85Å; Q113-R131 HydrophobicContact CG-CG 4.43Å; Q113-R131 PolarHBondContact OE1-O 2.95Å; Q113-S134 PolarHBondContact OE1-OG 3.44Å
114	V	91.8	Very high	88.5	Confident	43 Å²	43	61.2 Å²	61.2	26%	0.261	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	125.4	177	-177	0	0	0	0	107.1	F46 Y104 V108 E116 V125	F46-V114 HydrophobicContact CD1-CG1 4.2Å; F46-V114 HydrophobicContact CE1-CG1 3.24Å; F46-V114 HydrophobicContact CE2-CG1 4.26Å; F46-V114 HydrophobicContact CZ-CG1 3.23Å; Y104-V114 HydrophobicContact CE2-CG1 4.36Å; V108-V114 HydrophobicContact CG2-CG2 4.37Å; V114-E116 HydrophobicContact CG1-CG 4.31Å; V114-V125 HydrophobicContact CG2-CG2 4.3Å
115	K	89.7	Confident	88.5	Confident	86 Å²	86	60.6 Å²	60.6	37%	0.374	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	122	178.1	-170.3	176.6	-175.4	-179.4	0	108.8	L124	K115-L124 HydrophobicContact CB-CB 4.44Å; K115-L124 PolarHBondContact N-O 3.19Å; K115-L124 PolarHBondContact O-N 3.15Å
116	E	89.8	Confident	88.5	Confident	88 Å²	88	60.8 Å²	60.8	41%	0.411	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	116	-179.8	-64.6	-176.9	-166	0	0	108.4	F46 V114 Y123	F46-E116 HydrophobicContact CE1-CG 4.16Å; F46-E116 HydrophobicContact CE2-CG 4.36Å; F46-E116 HydrophobicContact CZ-CG 3.44Å; F46-E116 VanDerWaalsContact CZ-CG 3.44Å; F46-E116 VanDerWaalsContact CZ-OE1 3.31Å; F46-E116 WeakPolarHBondContact CZ-OE1 3.24Å; V114-E116 HydrophobicContact CG1-CG 4.31Å; E116-Y123 HydrophobicContact CB-CD1 4.32Å; E116-Y123 HydrophobicContact CB-CE1 4.42Å; E116-Y123 HydrophobicContact CG-CD1 4.11Å; E116-Y123 HydrophobicContact CG-CE1 4.49Å
117	N	84.8	Confident	88.4	Confident	44 Å²	44	60.8 Å²	60.8	24%	0.235	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	90.6	166.8	-51.3	-64.5	0	0	0	109	S119 Q120 G121 S122	N117-S119 VanDerWaalsContact C-N 3.28Å; N117-S119 PolarHBondContact O-N 2.95Å; N117-Q120 HydrophobicContact CB-CB 4.27Å; N117-Q120 PolarHBondContact O-N 3.05Å; N117-G121 PolarHBondContact O-N 2.82Å; N117-S122 VanDerWaalsContact CB-OG 3.29Å; N117-S122 WeakPolarHBondContact CB-OG 3.26Å; N117-S122 PolarHBondContact N-O 3.06Å; N117-S122 PolarHBondContact ND2-OG 3.02Å; N117-S122 PolarHBondContact O-N 2.76Å; N117-S122 VanDerWaalsContact O-N 3.1Å
118	P	81.8	Confident	88.3	Confident	90 Å²	90	67.5 Å²	67.5	58%	0.584	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-60.8	-33.7	-178.2	-25.7	35.4	0	0	0	113.9	Q120 G121	P118-Q120 VanDerWaalsContact C-N 3.3Å; P118-Q120 PolarHBondContact O-N 3.16Å; P118-G121 PolarHBondContact O-N 3.41Å
119	S	79.4	Confident	88.2	Confident	117 Å²	117	71.5 Å²	71.5	82%	0.818	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-65.9	-30.2	178.8	51.9	0	0	0	0	113.6	N117	N117-S119 VanDerWaalsContact C-N 3.28Å; N117-S119 PolarHBondContact O-N 2.95Å
120	Q	76.8	Confident	88.2	Confident	154 Å²	154	66.7 Å²	66.7	72%	0.72	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-101.2	-0.9	177.7	-66	-179.5	-28.4	0	0	112.4	N117 P118 S122	N117-Q120 HydrophobicContact CB-CB 4.27Å; N117-Q120 PolarHBondContact O-N 3.05Å; P118-Q120 VanDerWaalsContact C-N 3.3Å; P118-Q120 PolarHBondContact O-N 3.16Å; Q120-S122 PolarHBondContact O-N 3.03Å
121	G	78.2	Confident	87.7	Confident	41 Å²	41	72.4 Å²	72.4	42%	0.423	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	63	19.4	-174.6	0	0	0	0	0	114.4	N117 P118 Y123	N117-G121 PolarHBondContact O-N 2.82Å; P118-G121 PolarHBondContact O-N 3.41Å; G121-Y123 WeakPolarHBondContact O-CD2 3.37Å
122	S	82.1	Confident	87	Confident	29 Å²	29	70.5 Å²	70.5	20%	0.203	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	121.6	-175.1	78	0	0	0	0	111.5	N117 Q120	N117-S122 VanDerWaalsContact CB-OG 3.29Å; N117-S122 WeakPolarHBondContact CB-OG 3.26Å; N117-S122 PolarHBondContact N-O 3.06Å; N117-S122 PolarHBondContact ND2-OG 3.02Å; N117-S122 PolarHBondContact O-N 2.76Å; N117-S122 VanDerWaalsContact O-N 3.1Å; Q120-S122 PolarHBondContact O-N 3.03Å
123	Y	89.6	Confident	85.7	Confident	55 Å²	55	72.4 Å²	72.4	22%	0.216	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	94.4	-179.6	-61.3	-85.1	0	0	0	109.6	L45 F46 E116 G121	L45-Y123 HydrophobicContact CD1-CD1 4.34Å; L45-Y123 HydrophobicContact CD1-CD2 3.66Å; L45-Y123 HydrophobicContact CD1-CE1 4.19Å; L45-Y123 HydrophobicContact CD1-CE2 3.47Å; L45-Y123 VanDerWaalsContact CD1-CE2 3.47Å; L45-Y123 HydrophobicContact CD1-CG 4.09Å; L45-Y123 HydrophobicContact CD2-CD1 3.56Å; L45-Y123 HydrophobicContact CD2-CD2 4.4Å; L45-Y123 HydrophobicContact CD2-CE1 3.37Å; L45-Y123 HydrophobicContact CD2-CE2 4.24Å; L45-Y123 HydrophobicContact CD2-CG 4.08Å; L45-Y123 HydrophobicContact CG-CD1 3.63Å; L45-Y123 HydrophobicContact CG-CD2 3.72Å; L45-Y123 HydrophobicContact CG-CE1 3.79Å; L45-Y123 HydrophobicContact CG-CE2 3.87Å; L45-Y123 HydrophobicContact CG-CG 3.6Å; F46-Y123 HydrophobicContact CE1-CD1 4.42Å; F46-Y123 HydrophobicContact CE2-CD1 4.38Å; F46-Y123 HydrophobicContact CZ-CD1 4.13Å; E116-Y123 HydrophobicContact CB-CD1 4.32Å; E116-Y123 HydrophobicContact CB-CE1 4.42Å; E116-Y123 HydrophobicContact CG-CD1 4.11Å; E116-Y123 HydrophobicContact CG-CE1 4.49Å; G121-Y123 WeakPolarHBondContact O-CD2 3.37Å
124	L	90.4	Very high	84	Confident	46 Å²	46	71.3 Å²	71.3	24%	0.241	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	149.7	-167.8	-54.1	178.8	0	0	0	111.5	D94 K115 Y126	D94-L124 HydrophobicContact CB-CB 4.44Å; K115-L124 HydrophobicContact CB-CB 4.44Å; K115-L124 PolarHBondContact N-O 3.19Å; K115-L124 PolarHBondContact O-N 3.15Å; L124-Y126 HydrophobicContact CB-CE2 4.04Å; L124-Y126 WeakPolarHBondContact CD1-OH 3.44Å
125	V	93.5	Very high	82.2	Confident	4 Å²	4	76.5 Å²	76.5	2%	0.024	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	130	174.3	177.6	0	0	0	0	110.2	F46 V91 C93 D94 A107 A112 Q113 V114	F46-V125 HydrophobicContact CD1-CG2 3.71Å; F46-V125 HydrophobicContact CE1-CG2 4.24Å; F46-V125 HydrophobicContact CG-CG2 4.47Å; V91-V125 HydrophobicContact CG1-CB 3.85Å; V91-V125 HydrophobicContact CG1-CG1 4.23Å; V91-V125 HydrophobicContact CG1-CG2 3.43Å; V91-V125 VanDerWaalsContact CG1-CG2 3.43Å; C93-V125 CarbonylContact C-O 3.52Å; C93-V125 VanDerWaalsContact CA-O 3.24Å; C93-V125 WeakPolarHBondContact CA-O 3.44Å; D94-V125 PolarHBondContact N-O 3.06Å; A107-V125 HydrophobicContact CB-CG1 4.03Å; A112-V125 HydrophobicContact CB-CG1 3.91Å; Q113-V125 CarbonylContact O-C 3.59Å; Q113-V125 WeakPolarHBondContact O-CA 3.4Å; V114-V125 HydrophobicContact CG2-CG2 4.3Å
126	Y	93.4	Very high	79.9	Confident	23 Å²	23	79.2 Å²	79.2	9%	0.09	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	122.3	173.5	-59.8	-85.8	0	0	0	109.6	D94 V95 A112 Q113 L124 H130	D94-Y126 HydrophobicContact CB-CD1 4.17Å; D94-Y126 HydrophobicContact CB-CE1 3.64Å; D94-Y126 PolarHBondContact OD2-OH 3.03Å; V95-Y126 HydrophobicContact CG2-CD1 4.24Å; A112-Y126 CarbonylContact C-O 3.59Å; A112-Y126 WeakPolarHBondContact CA-O 3.48Å; A112-Y126 WeakPolarHBondContact CB-O 3.27Å; Q113-Y126 PolarHBondContact N-O 3.26Å; Q113-Y126 PolarHBondContact O-N 3.28Å; L124-Y126 HydrophobicContact CB-CE2 4.04Å; L124-Y126 WeakPolarHBondContact CD1-OH 3.44Å; Y126-H130 WeakPolarHBondContact CB-O 3.16Å
127	C	93.3	Very high	77.7	Confident	0 Å²	0	79.4 Å²	79.4	0%	0	43%	0.429	C	S	.	.			trans	-63.3	164.1	178.5	76.7	0	0	0	0	111.3	C93 R100 Y102 K129 H130 R131	C93-C127 HydrophobicContact CB-CB 4.23Å; C93-C127 PolarHBondContact SG-N 3.31Å; R100-C127 HydrophobicContact CB-CB 4.39Å; R100-C127 PolarHBondContact NH1-SG 3.39Å; Y102-C127 HydrophobicContact CE2-CB 3.98Å; C127-K129 PolarHBondContact O-N 3.39Å; C127-H130 CarbonylContact O-C 3.58Å; C127-H130 PolarHBondContact O-N 3.09Å; C127-R131 PolarHBondContact O-N 3.43Å; C127-R131 VanDerWaalsContact O-N 3.14Å
128	R	90.7	Very high	75.6	Confident	142 Å²	142	82.3 Å²	82.3	54%	0.536	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-30.3	179.4	-74.7	-171.1	-86.1	-179.4	-1.7	116	D110 K111	D110-R128 WeakPolarHBondContact O-CD 3.34Å; D110-R128 WeakPolarHBondContact O-CG 3.47Å; D110-R128 PolarHBondContact O-NE 2.73Å; D110-R128 IonicContact OD1-CZ 3.65Å; D110-R128 VanDerWaalsContact OD1-CZ 3.22Å; D110-R128 IonicContact OD1-NE 3.66Å; D110-R128 PolarHBondContact OD1-NE 3.01Å; D110-R128 IonicContact OD1-NH2 2.74Å; D110-R128 PolarHBondContact OD1-NH2 2.87Å; D110-R128 IonicContact OD2-CZ 3.5Å; D110-R128 IonicContact OD2-NE 2.74Å; D110-R128 PolarHBondContact OD2-NE 3.17Å; D110-R128 IonicContact OD2-NH2 3.38Å; K111-R128 HydrophobicContact CB-CG 4.34Å
129	K	89.8	Confident	73.8	Confident	156 Å²	156	85.9 Å²	85.9	68%	0.678	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-18.8	178.9	-76.7	-171.9	175.7	-168.1	0	113.5	R100 C127	R100-K129 VanDerWaalsContact NH1-CG 3.25Å; C127-K129 PolarHBondContact O-N 3.39Å
130	H	90.3	Very high	71.7	Confident	45 Å²	45	88.2 Å²	88.2	21%	0.208	46%	0.464	C	S	.	.	S	Bend	trans	-122	16.9	-172.8	-61.1	158	0	0	0	112.3	V95 C98 Y126 C127 D132 A133	V95-H130 WeakPolarHBondContact CB-ND1 3.33Å; V95-H130 HydrophobicContact CG2-CB 3.66Å; C98-H130 VanDerWaalsContact CB-CE1 3.48Å; C98-H130 WeakPolarHBondContact CB-CE1 3.18Å; C98-H130 VanDerWaalsContact SG-CE1 3.59Å; Y126-H130 WeakPolarHBondContact CB-O 3.16Å; C127-H130 CarbonylContact O-C 3.58Å; C127-H130 PolarHBondContact O-N 3.09Å; H130-D132 PolarHBondContact O-N 2.87Å; H130-A133 HydrophobicContact CB-CB 4.42Å; H130-A133 PolarHBondContact O-N 2.85Å
131	R	81.3	Confident	70.2	Confident	133 Å²	133	89.8 Å²	89.8	50%	0.502	47%	0.472	S	S	.	.	S	Bend	trans	-59.3	-38.1	176.7	178.9	164.6	-171.2	-151.7	1.1	111.4	Q113 C127 S134	Q113-R131 HydrophobicContact CB-CB 4.44Å; Q113-R131 HydrophobicContact CB-CG 3.85Å; Q113-R131 HydrophobicContact CG-CG 4.43Å; Q113-R131 PolarHBondContact OE1-O 2.95Å; C127-R131 PolarHBondContact O-N 3.43Å; C127-R131 VanDerWaalsContact O-N 3.14Å; R131-S134 PolarHBondContact O-OG 2.94Å
132	D	76.3	Confident	68.2	Low	117 Å²	117	96.5 Å²	96.5	63%	0.626	49%	0.492	S	S	*	.	G	3₁₀ helix	trans	-86.7	-16.1	-174.8	-47.7	-40.8	0	0	0	112.8	H130 S134 Q135	H130-D132 PolarHBondContact O-N 2.87Å; D132-S134 PolarHBondContact O-N 2.74Å; D132-Q135 PolarHBondContact O-N 3.39Å
133	A	63.7	Low	66.1	Low	51 Å²	51	103.6 Å²	103.6	42%	0.421	52%	0.522	S	S	.	.	G	3₁₀ helix	trans	-67.6	0.4	174.3	0	0	0	0	0	113.5	V95 H130 Q135	V95-A133 HydrophobicContact CG2-CB 4.48Å; H130-A133 HydrophobicContact CB-CB 4.42Å; H130-A133 PolarHBondContact O-N 2.85Å; A133-Q135 VanDerWaalsContact C-N 3.33Å
134	S	57.9	Low	63.6	Low	34 Å²	34	110.5 Å²	110.5	24%	0.238	56%	0.556	C	S	.	*	G	3₁₀ helix	trans	-83.4	-6.5	176.7	61.7	0	0	0	0	113.6	Q113 R131 D132	Q113-S134 PolarHBondContact OE1-OG 3.44Å; R131-S134 PolarHBondContact O-OG 2.94Å; D132-S134 PolarHBondContact O-N 2.74Å
135	Q	52.7	Low	60.7	Low	152 Å²	152	112.3 Å²	112.3	71%	0.71	59%	0.586	S	S	*	*	S	Bend	trans	-96.6	-19.1	-175.9	-66.6	-173.3	-32.7	0	0	114.5	D132 A133	D132-Q135 PolarHBondContact O-N 3.39Å; A133-Q135 VanDerWaalsContact C-N 3.33Å
136	D	41.4	Very low	57.5	Low	142 Å²	142	116 Å²	116	76%	0.759	63%	0.625	S	S	*	*	S	Bend	trans	-101.9	14.5	-170.4	-58.4	-33.3	0	0	0	114.6
137	A	44	Very low	54.6	Low	93 Å²	93	121.9 Å²	121.9	77%	0.769	66%	0.663	S	S	*	*			trans	-109.2	20.6	-172.2	0	0	0	0	0	114.6
138	S	41.5	Very low	51.9	Low	104 Å²	104	126.1 Å²	126.1	73%	0.727	70%	0.698	S	S	*	*	S	Bend	trans	-109.6	0.6	179.2	56.4	0	0	0	0	116
139	E	44	Very low	49.2	Very low	165 Å²	165	127.5 Å²	127.5	77%	0.771	72%	0.716	S	S	*	*			trans	-142.1	99.3	177.2	-64.1	179.2	179.1	0	0	108.3
140	D	35.5	Very low	46.4	Very low	166 Å²	166	127.1 Å²	127.1	89%	0.888	72%	0.722	S	S	*	*			trans	177.9	73.8	149.4	-90.2	-26.1	0	0	0	110.3
141	E	44.6	Very low	43.7	Very low	187 Å²	187	130.8 Å²	130.8	87%	0.874	75%	0.752	S	S	*	*			trans	-142.2	88.9	147.3	-75	-160.5	132.5	0	0	107.8
142	Q	36.3	Very low	41.3	Very low	182 Å²	182	131.4 Å²	131.4	85%	0.85	77%	0.765	S	S	*	*			trans	175.9	119.4	134.1	-94.8	159.6	26.6	0	0	113.8
143	E	37.1	Very low	39.1	Very low	179 Å²	179	131.4 Å²	131.4	84%	0.836	78%	0.775	S	S	*	*			trans	81.9	101.2	142.6	-54.1	-155.9	162	0	0	122.7
144	Q	37.4	Very low	37.5	Very low	199 Å²	199	134.3 Å²	134.3	93%	0.93	79%	0.792	S	S	*	*			trans	5.9	134.8	130.3	-60	179	33.5	0	0	119.8
145	G	29.2	Very low	37	Very low	85 Å²	85	138.1 Å²	138.1	88%	0.876	82%	0.816	S	S	*	*			trans	136.9	108.1	139.9	0	0	0	0	0	115.2
146	G	27.9	Very low	36.3	Very low	81 Å²	81	136.6 Å²	136.6	84%	0.835	82%	0.819	S	S	*	*			trans	160	106.9	165.7	0	0	0	0	0	115.2
147	V	32.7	Very low	35.9	Very low	146 Å²	146	140.8 Å²	140.8	89%	0.885	82%	0.824	S	S	*	*			trans	-63.4	148.7	-176.6	-78.4	0	0	0	0	116.7
148	A	36.4	Very low	35.3	Very low	90 Å²	90	141.1 Å²	141.1	74%	0.744	82%	0.821	S	S	*	*			trans	15.5	131.6	152.8	0	0	0	0	0	121.3
149	N	32.2	Very low	34.9	Very low	170 Å²	170	148.2 Å²	148.2	91%	0.909	83%	0.832	S	S	*	*				-152.8	131.1	120.3	-110.6	-6.9	0	0	0	112.7
150	D	31.8	Very low	34.1	Very low	149 Å²	149	143.7 Å²	143.7	80%	0.797	83%	0.829	S	S	*	*			trans	-62.8	137.7	168.9	-114.6	-74.4	0	0	0	111
151	S	33.3	Very low	33.9	Very low	122 Å²	122	148.1 Å²	148.1	85%	0.853	83%	0.834	S	S	*	*			trans	-164.1	109	145.6	-78.6	0	0	0	0	110.4
152	D	30.8	Very low	33.2	Very low	145 Å²	145	143.2 Å²	143.2	78%	0.775	83%	0.833	S	S	*	*			trans	-41.5	135.6	164.7	-177.6	23.7	0	0	0	114.7
153	S	30.1	Very low	33	Very low	117 Å²	117	144.1 Å²	144.1	82%	0.818	83%	0.828	S	S	*	*			trans	177.8	108.7	141	-78.4	0	0	0	0	110.9
154	S	30.3	Very low	32.9	Very low	112 Å²	112	144 Å²	144	78%	0.783	83%	0.833	S	S	*	*			trans	-101.2	173.5	156.2	-70.7	0	0	0	0	109.7
155	P	47.8	Very low	32.5	Very low	114 Å²	114	141 Å²	141	74%	0.74	82%	0.819	S	S	*	*			cis	-128.9	-175.1	-44.6	36.8	-19.9	0	0	0	111.2
156	P	38.7	Very low	32.6	Very low	120 Å²	120	146.9 Å²	146.9	78%	0.779	82%	0.82	S	S	*	*				-145	137.4	123.2	26.2	-5.8	0	0	0	113.6
157	R	32.3	Very low	32.7	Very low	231 Å²	231	152 Å²	152	87%	0.872	82%	0.823	S	S	*	*				62.7	111.2	84.9	-77.5	-173.9	148.8	-120.9	-1.9	116.9
158	S	31.3	Very low	32.6	Very low	99 Å²	99	156.7 Å²	156.7	69%	0.692	82%	0.824	S	S	*	*			trans	-11.9	137.3	151.8	48.4	0	0	0	0	121.1
159	R	32.3	Very low	32.6	Very low	253 Å²	253	160.1 Å²	160.1	96%	0.955	83%	0.828	S	S	*	*			trans	156.8	140.6	138.4	-87.6	164.3	176.2	-171.3	-0.8	106.3
160	G	28	Very low	32.5	Very low	70 Å²	70	161.3 Å²	161.3	72%	0.722	83%	0.825	S	S	*	*			cis	155.5	129.9	9.8	0	0	0	0	0	106.4
161	R	32.2	Very low	32.5	Very low	260 Å²	260	161 Å²	161	98%	0.981	83%	0.828	S	S	*	*			trans	34.9	120.9	158.1	-66.9	-178.4	177.4	-169.3	-1.4	120.2
162	G	28.5	Very low	32.3	Very low	83 Å²	83	157.8 Å²	157.8	86%	0.856	82%	0.815	S	S	*	*			trans	-140.2	104.6	153.5	0	0	0	0	0	110.6
163	R	32	Very low	32.3	Very low	201 Å²	201	156.7 Å²	156.7	76%	0.758	82%	0.819	S	S	*	*			trans	-80.2	132.3	170.3	165.3	-175.8	176.2	169	3.1	107.7	E165	R163-E165 IonicContact CZ-OE2 3.38Å; R163-E165 VanDerWaalsContact CZ-OE2 3.27Å; R163-E165 IonicContact NE-OE2 3.63Å; R163-E165 PolarHBondContact NE-OE2 2.89Å; R163-E165 VanDerWaalsContact NH2-CD 3.33Å; R163-E165 IonicContact NH2-OE1 2.76Å; R163-E165 PolarHBondContact NH2-OE1 3.28Å; R163-E165 IonicContact NH2-OE2 3.94Å; R163-E165 PolarHBondContact NH2-OE2 3.27Å
164	L	35.8	Very low	32.4	Very low	177 Å²	177	163.6 Å²	163.6	93%	0.927	83%	0.827	S	S	*	*			trans	-138.5	108.2	163.9	-101.9	158.1	0	0	0	109
165	E	28.8	Very low	32.3	Very low	136 Å²	136	161.5 Å²	161.5	64%	0.636	82%	0.823	S	S	*	*			trans	-64.5	148.6	165.7	-86.3	155.4	117.6	0	0	110.5	R163	R163-E165 IonicContact CZ-OE2 3.38Å; R163-E165 VanDerWaalsContact CZ-OE2 3.27Å; R163-E165 IonicContact NE-OE2 3.63Å; R163-E165 PolarHBondContact NE-OE2 2.89Å; R163-E165 VanDerWaalsContact NH2-CD 3.33Å; R163-E165 IonicContact NH2-OE1 2.76Å; R163-E165 PolarHBondContact NH2-OE1 3.28Å; R163-E165 IonicContact NH2-OE2 3.94Å; R163-E165 PolarHBondContact NH2-OE2 3.27Å
166	K	32.1	Very low	31.4	Very low	209 Å²	209	164.9 Å²	164.9	91%	0.909	83%	0.829	S	S	*	*			trans	-128.1	125.8	159	-166.1	168.1	-178.9	174.1	0	109.6
167	E	29.6	Very low	31.1	Very low	189 Å²	189	164.1 Å²	164.1	88%	0.883	83%	0.827	S	S	*	*			trans	-70.8	156.7	-164.3	-61.1	168.9	109.6	0	0	114.2
168	R	30	Very low	31.4	Very low	244 Å²	244	161.3 Å²	161.3	92%	0.921	82%	0.823	S	S	*	*			trans	-116.5	128.4	168.2	-161.7	177.4	-163.8	-177.4	3.5	109
169	I	35.9	Very low	31.4	Very low	161 Å²	161	162.9 Å²	162.9	83%	0.826	82%	0.824	S	S	*	*			trans	-64.2	144.6	-173	-64.9	171.8	0	0	0	112.7
170	K	31.2	Very low	31.4	Very low	195 Å²	195	156.9 Å²	156.9	85%	0.848	82%	0.816	S	S	*	*			trans	-107.6	136.2	176.6	-177.1	-179.6	-177.1	178.2	0	111.4
171	V	31.6	Very low	31.6	Very low	142 Å²	142	164.3 Å²	164.3	86%	0.861	82%	0.822	S	S	*	*			trans	-145.6	132.7	156.5	176.7	0	0	0	0	103.8
172	G	28.3	Very low	31.6	Very low	56 Å²	56	156.7 Å²	156.7	58%	0.577	81%	0.808	S	S	*	*			cis	140.6	120	11.4	0	0	0	0	0	107.4
173	S	32.3	Very low	31.6	Very low	122 Å²	122	158.5 Å²	158.5	85%	0.853	80%	0.803	S	S	*	*			trans	146.1	109.1	157.7	-66.9	0	0	0	0	110.5
174	R	31	Very low	31.6	Very low	261 Å²	261	154 Å²	154	99%	0.985	80%	0.803	S	S	*	*				83.1	123.7	75.4	-106.4	-174.2	172	178.7	-2.2	114.9
175	G	28	Very low	31.7	Very low	69 Å²	69	149.8 Å²	149.8	71%	0.711	79%	0.788	S	S	*	*			trans	134.4	93.3	164.3	0	0	0	0	0	113.6
176	Q	30.1	Very low	32	Very low	184 Å²	184	152.2 Å²	152.2	86%	0.86	80%	0.799	S	S	*	*				77.2	104	101.1	-74	-179.4	20.2	0	0	113.5
177	S	32.6	Very low	31.9	Very low	104 Å²	104	145.5 Å²	145.5	73%	0.727	79%	0.789	S	S	*	*				82.8	142.3	98.4	74.6	0	0	0	0	111.2
178	E	37	Very low	32.3	Very low	172 Å²	172	143.3 Å²	143.3	80%	0.804	79%	0.788	S	S	*	*			cis	-153.5	173	23.9	-73	-173.2	132.1	0	0	111.9
179	D	31.6	Very low	32.3	Very low	133 Å²	133	138.9 Å²	138.9	71%	0.711	78%	0.783	S	S	*	*			trans	-24.7	151.4	172	-58.4	-85.6	0	0	0	122.1
180	T	33.8	Very low	32.1	Very low	126 Å²	126	139.3 Å²	139.3	77%	0.773	79%	0.787	S	S	*	*				171.4	125.5	97.9	37.3	0	0	0	0	113.9
181	R	31.5	Very low	32.2	Very low	226 Å²	226	137.6 Å²	137.6	85%	0.853	78%	0.782	S	S	*	*			trans	46.4	116.6	132.7	-78.7	176.7	171.1	155.5	-1.8	120
182	S	31.9	Very low	32.1	Very low	100 Å²	100	134.8 Å²	134.8	70%	0.699	77%	0.768	S	S	*	*				75	134.2	92.6	-62.2	0	0	0	0	111.6
183	T	28.7	Very low	32.3	Very low	121 Å²	121	137.2 Å²	137.2	74%	0.742	78%	0.777	S	S	*	*			cis	173.8	158.6	35.6	11.8	0	0	0	0	108.4
184	S	31.4	Very low	32.5	Very low	108 Å²	108	135.6 Å²	135.6	76%	0.755	77%	0.765	S	S	*	*			trans	73.5	146.2	148.5	-62.6	0	0	0	0	118.7
185	S	37.3	Very low	32.8	Very low	87 Å²	87	131.5 Å²	131.5	61%	0.608	76%	0.757	S	S	*	*			cis	172.9	161.1	-14.3	47.7	0	0	0	0	106.6
186	Q	36.6	Very low	33.3	Very low	188 Å²	188	139.6 Å²	139.6	88%	0.879	77%	0.766	S	S	*	*			trans	84.9	121.4	166.2	-52.3	174	-2.2	0	0	114.4
187	G	28.5	Very low	33.3	Very low	67 Å²	67	139 Å²	139	69%	0.691	77%	0.769	S	S	*	*			cis	102.8	90.9	16.3	0	0	0	0	0	110.2
188	V	38.7	Very low	33.6	Very low	143 Å²	143	145.3 Å²	145.3	87%	0.867	78%	0.777	S	S	*	*			trans	-154.2	150.2	151.2	-72.7	0	0	0	0	108.7
189	D	30.9	Very low	33.7	Very low	151 Å²	151	142.7 Å²	142.7	81%	0.807	78%	0.778	S	S	*	*			trans	-111.7	143.2	-154.3	-10.1	-76	0	0	0	109.2
190	D	32	Very low	34.6	Very low	170 Å²	170	141.5 Å²	141.5	91%	0.909	78%	0.777	S	S	*	*			trans	-158.4	160.8	155.3	-152.9	-98.6	0	0	0	111
191	E	31.9	Very low	35	Very low	159 Å²	159	143.9 Å²	143.9	74%	0.743	78%	0.784	S	S	*	*			trans	-99.8	154.4	-134.9	-116.9	-90.2	105.1	0	0	115
192	S	30.4	Very low	35.8	Very low	83 Å²	83	144.7 Å²	144.7	58%	0.58	79%	0.787	S	S	*	*			trans	66.4	117.4	146.9	-85.5	0	0	0	0	124
193	S	31.3	Very low	36.1	Very low	107 Å²	107	143.5 Å²	143.5	75%	0.748	79%	0.791	S	S	*	*				101.2	113	128.5	78.9	0	0	0	0	121.2
194	S	37.9	Very low	36.7	Very low	88 Å²	88	143.6 Å²	143.6	62%	0.615	80%	0.797	S	S	*	*			trans	32.5	119.7	140.7	61.4	0	0	0	0	120.6
195	H	37.6	Very low	37.4	Very low	176 Å²	176	142.5 Å²	142.5	82%	0.815	80%	0.802	S	S	*	*				157.1	115	110.2	-83.3	-70.7	0	0	0	112.1
196	R	37.1	Very low	37.8	Very low	238 Å²	238	143.2 Å²	143.2	90%	0.898	80%	0.799	S	S	*	*			trans	29.3	104.5	150.2	-61.6	-168.2	167.4	-158.9	-4.6	118.2	R198	R196-R198 PolarHBondContact O-N 2.92Å
197	D	30.5	Very low	38.7	Very low	173 Å²	173	138.4 Å²	138.4	93%	0.925	80%	0.8	S	S	*	*			trans	-54.3	104.6	165.1	-104.5	-57.1	0	0	0	112.5
198	R	38.5	Very low	40.5	Very low	236 Å²	236	137 Å²	137	89%	0.891	79%	0.785	S	S	*	*			trans	-115.6	115.8	162.8	-169.2	175.2	-171.2	-178	2.2	106.4	R196	R196-R198 PolarHBondContact O-N 2.92Å
199	S	39.8	Very low	42.6	Very low	117 Å²	117	133.7 Å²	133.7	82%	0.818	76%	0.761	S	S	*	*			trans	-40.3	128.5	-172.2	-51.3	0	0	0	0	115
200	P	49.7	Very low	45.5	Very low	107 Å²	107	132.6 Å²	132.6	70%	0.695	75%	0.745	S	S	*	*			trans	-95.1	116.3	175.7	32.2	-27.2	0	0	0	111.8
201	L	42.1	Very low	48.3	Very low	176 Å²	176	124.5 Å²	124.5	92%	0.921	70%	0.702	S	S	*	*			trans	-136.2	59.8	147.8	-72.1	-179.5	0	0	0	108.7
202	R	49.3	Very low	51.2	Low	243 Å²	243	118 Å²	118	92%	0.917	68%	0.677	S	S	*	*			trans	-90	97.2	145.7	-92.2	-176.9	173.3	-117.9	2	105.8
203	G	36.9	Very low	54.2	Low	76 Å²	76	114.2 Å²	114.2	78%	0.784	65%	0.65	S	S	*	*			trans	-78.4	128.4	166.2	0	0	0	0	0	109.5
204	S	43.1	Very low	57.1	Low	123 Å²	123	109.7 Å²	109.7	86%	0.86	62%	0.619	S	S	*	*			trans	-59.2	146.8	-176.3	-51.4	0	0	0	0	115
205	G	46	Very low	59.6	Low	85 Å²	85	110.1 Å²	110.1	88%	0.876	61%	0.611	S	S	*	*				75.7	43.8	125	0	0	0	0	0	119.8
206	D	44.6	Very low	62.1	Low	102 Å²	102	102.7 Å²	102.7	55%	0.545	58%	0.579	S	S	.	*			trans	-132.2	102.8	156.6	-178.5	26.2	0	0	0	108.9	G208 R210	D206-G208 PolarHBondContact O-N 2.94Å; D206-G208 PolarHBondContact OD1-N 3.15Å; D206-R210 IonicContact OD2-NH2 2.91Å; D206-R210 PolarHBondContact OD2-NH2 3.02Å
207	G	55.1	Low	64.7	Low	87 Å²	87	91.5 Å²	91.5	90%	0.897	54%	0.538	S	S	*	.			trans	-74.1	6.4	-178.1	0	0	0	0	0	113.9
208	G	66.4	Low	67.5	Low	37 Å²	37	90.1 Å²	90.1	38%	0.381	53%	0.526	S	S	.	.			trans	-66.4	138.7	178.7	0	0	0	0	0	113.1	D206	D206-G208 PolarHBondContact O-N 2.94Å; D206-G208 PolarHBondContact OD1-N 3.15Å
209	Q	83.1	Confident	69.9	Low	74 Å²	74	84.5 Å²	84.5	35%	0.346	51%	0.51	S	S	.	.			trans	-67	137.9	171.7	-67.9	173.3	-51.9	0	0	109.6	L227 A229 N231 A236	Q209-L227 HydrophobicContact CB-CD2 4.45Å; Q209-L227 WeakPolarHBondContact O-CD2 3.2Å; Q209-A229 HydrophobicContact CB-CB 4.44Å; Q209-A229 HydrophobicContact CG-CB 4.49Å; Q209-N231 PolarHBondContact NE2-OD1 2.75Å; Q209-A236 HydrophobicContact CB-CB 3.92Å
210	R	91.4	Very high	72.3	Confident	127 Å²	127	81.9 Å²	81.9	48%	0.479	48%	0.484	S	S	.	.			trans	-111.4	140.8	-179.7	-68.3	180	175.8	-89.1	-12.2	110.8	D206 G212 H215	D206-R210 IonicContact OD2-NH2 2.91Å; D206-R210 PolarHBondContact OD2-NH2 3.02Å; R210-G212 PolarHBondContact O-N 2.86Å; R210-H215 PolarHBondContact NH1-O 2.85Å; R210-H215 VanDerWaalsContact NH1-O 3.07Å
211	C	92.5	Very high	74.1	Confident	1 Å²	1	79 Å²	79	1%	0.007	46%	0.463	C	S	.	.			trans	-61.2	125.9	176.9	176.4	0	0	0	0	111.3	F213 C214 H215 S216 L227 A236 H238	C211-F213 PolarHBondContact O-N 2.87Å; C211-F213 VanDerWaalsContact O-N 3.11Å; C211-C214 VanDerWaalsContact CB-SG 3.56Å; C211-H215 WeakPolarHBondContact O-CA 3.45Å; C211-H215 PolarHBondContact O-N 2.9Å; C211-S216 WeakPolarHBondContact CB-O 3.42Å; C211-S216 PolarHBondContact N-O 3.31Å; C211-L227 HydrophobicContact CB-CD1 3.74Å; C211-A236 CarbonylContact C-O 3.51Å; C211-A236 WeakPolarHBondContact CA-O 3.16Å; C211-H238 VanDerWaalsContact CB-ND1 3.26Å; C211-H238 WeakPolarHBondContact CB-ND1 3.3Å; C211-H238 PolarHBondContact SG-N 3.14Å; C211-H238 VanDerWaalsContact SG-N 3.41Å; C211-H238 PolarHBondContact SG-ND1 3.26Å; C211-H238 VanDerWaalsContact SG-ND1 3.42Å
212	G	90.9	Very high	76.3	Confident	22 Å²	22	79.8 Å²	79.8	23%	0.227	46%	0.462	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-11.7	-179.3	0	0	0	0	0	115	R210 A236	R210-G212 PolarHBondContact O-N 2.86Å; G212-A236 PolarHBondContact N-O 3.29Å
213	F	93.5	Very high	78.1	Confident	3 Å²	3	72.5 Å²	72.5	1%	0.013	44%	0.44	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-54.3	176.4	-59.7	-75.1	0	0	0	112.2	C211 A237 C241 M242 V267 E270 I271 G286 T288 H301	C211-F213 PolarHBondContact O-N 2.87Å; C211-F213 VanDerWaalsContact O-N 3.11Å; F213-A237 HydrophobicContact CD2-CB 3.76Å; F213-A237 HydrophobicContact CE2-CB 3.59Å; F213-C241 HydrophobicContact CB-CB 4.14Å; F213-C241 HydrophobicContact CD2-CB 3.91Å; F213-C241 HydrophobicContact CG-CB 4.28Å; F213-M242 HydrophobicContact CE2-CG 3.85Å; F213-V267 HydrophobicContact CE2-CG1 4.1Å; F213-V267 HydrophobicContact CZ-CG1 4.15Å; F213-E270 HydrophobicContact CE1-CB 4.01Å; F213-E270 HydrophobicContact CZ-CB 4.14Å; F213-I271 HydrophobicContact CD1-CG1 4.14Å; F213-I271 HydrophobicContact CD2-CG1 4.16Å; F213-I271 HydrophobicContact CE1-CB 4.45Å; F213-I271 HydrophobicContact CE1-CG1 3.67Å; F213-I271 HydrophobicContact CE2-CD1 4.13Å; F213-I271 HydrophobicContact CE2-CG1 3.68Å; F213-I271 HydrophobicContact CG-CG1 4.38Å; F213-I271 HydrophobicContact CZ-CD1 4.27Å; F213-I271 HydrophobicContact CZ-CG1 3.43Å; F213-I271 VanDerWaalsContact CZ-CG1 3.43Å; F213-G286 CarbonylContact O-C 3.58Å; F213-G286 WeakPolarHBondContact O-CA 3.45Å; F213-T288 HydrophobicContact CD1-CG2 3.74Å; F213-T288 WeakPolarHBondContact CD1-OG1 3.31Å; F213-T288 HydrophobicContact CE1-CG2 3.82Å; F213-T288 WeakPolarHBondContact CE1-OG1 3.27Å; F213-H301 PolarHBondContact O-CD2 3.15Å; F213-H301 PolarHBondContact O-NE2 3.45Å
214	C	92.2	Very high	80.6	Confident	13 Å²	13	69.5 Å²	69.5	9%	0.088	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-7.1	-171.8	72.4	0	0	0	0	114.5	C211 S216 R224 H238	C211-C214 VanDerWaalsContact CB-SG 3.56Å; C214-S216 PolarHBondContact O-N 2.93Å; C214-S216 VanDerWaalsContact O-N 3.15Å; C214-R224 PolarHBondContact SG-NH1 2.68Å; C214-H238 PolarHBondContact SG-ND1 3.43Å
215	H	91.3	Very high	82.7	Confident	96 Å²	96	64.2 Å²	64.2	44%	0.444	37%	0.369	S	S	.	.			trans	62.6	10.6	179	-44.3	-64.1	0	0	0	115.9	R210 C211 L285	R210-H215 PolarHBondContact NH1-O 2.85Å; R210-H215 VanDerWaalsContact NH1-O 3.07Å; C211-H215 WeakPolarHBondContact O-CA 3.45Å; C211-H215 PolarHBondContact O-N 2.9Å; H215-L285 PolarHBondContact NE2-O 3.27Å
216	S	90.9	Very high	84.8	Confident	21 Å²	21	64.4 Å²	64.4	15%	0.147	35%	0.354	C	S	.	.			trans	-90.5	155.7	170.8	-60.6	0	0	0	0	111.8	C211 C214 R224 H238	C211-S216 WeakPolarHBondContact CB-O 3.42Å; C211-S216 PolarHBondContact N-O 3.31Å; C214-S216 PolarHBondContact O-N 2.93Å; C214-S216 VanDerWaalsContact O-N 3.15Å; S216-R224 PolarHBondContact OG-NH1 3.24Å; S216-H238 PolarHBondContact O-CE1 3.21Å
217	G	90.5	Very high	86.9	Confident	3 Å²	3	60.8 Å²	60.8	3%	0.031	33%	0.334	C	S	.	.			trans	-89	-154.5	176.4	0	0	0	0	0	112.6	E219 H238	G217-E219 VanDerWaalsContact C-N 3.25Å; G217-E219 WeakPolarHBondContact CA-OE2 3.44Å; G217-E219 PolarHBondContact N-OE1 3.41Å; G217-E219 PolarHBondContact N-OE2 2.79Å; G217-E219 PolarHBondContact O-N 2.86Å; G217-H238 PolarHBondContact O-CE1 2.89Å; G217-H238 VanDerWaalsContact O-CE1 3.24Å; G217-H238 PolarHBondContact O-NE2 3.06Å
218	E	89.7	Confident	88.5	Confident	143 Å²	143	59 Å²	59	67%	0.668	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-72.6	-15.7	-178.5	62.7	-178	-171	0	0	113.9	E220 N221 L227	E218-E220 PolarHBondContact O-N 3.23Å; E218-N221 VanDerWaalsContact O-CB 3.27Å; E218-N221 WeakPolarHBondContact O-CB 3.35Å; E218-N221 PolarHBondContact O-N 3.23Å; E218-N221 PolarHBondContact O-ND2 3.27Å; E218-N221 PolarHBondContact O-OD1 3.03Å; E218-L227 HydrophobicContact CB-CD2 4.49Å
219	E	89.6	Confident	89.4	Confident	119 Å²	119	59 Å²	59	56%	0.556	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-59.9	-18.5	178.2	69.3	-73.5	172.7	0	0	113.2	G217	G217-E219 VanDerWaalsContact C-N 3.25Å; G217-E219 WeakPolarHBondContact CA-OE2 3.44Å; G217-E219 PolarHBondContact N-OE1 3.41Å; G217-E219 PolarHBondContact N-OE2 2.79Å; G217-E219 PolarHBondContact O-N 2.86Å
220	E	88.6	Confident	89.4	Confident	62 Å²	62	57.2 Å²	57.2	29%	0.29	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-105.9	11.8	-178.2	-71	-85.5	-179.5	0	0	113.5	E218 E222 M223 R224	E218-E220 PolarHBondContact O-N 3.23Å; E220-E222 PolarHBondContact O-N 3.31Å; E220-M223 PolarHBondContact O-N 3.1Å; E220-R224 HydrophobicContact CB-CG 4.36Å; E220-R224 PolarHBondContact O-N 3.35Å; E220-R224 IonicContact OE1-NH2 3.66Å; E220-R224 PolarHBondContact OE1-NH2 3.08Å; E220-R224 IonicContact OE2-CZ 3.85Å; E220-R224 IonicContact OE2-NE 2.6Å; E220-R224 PolarHBondContact OE2-NE 2.92Å; E220-R224 IonicContact OE2-NH2 3.22Å; E220-R224 PolarHBondContact OE2-NH2 2.98Å
221	N	88.3	Confident	88.9	Confident	46 Å²	46	57.1 Å²	57.1	25%	0.246	30%	0.3	C	S	.	.	H	α-helix	trans	-59.7	-33.3	-175.9	-78.6	-8.3	0	0	0	113.2	E218 M223 G225 L227 H238	E218-N221 VanDerWaalsContact O-CB 3.27Å; E218-N221 WeakPolarHBondContact O-CB 3.35Å; E218-N221 PolarHBondContact O-N 3.23Å; E218-N221 PolarHBondContact O-ND2 3.27Å; E218-N221 PolarHBondContact O-OD1 3.03Å; N221-M223 VanDerWaalsContact C-N 3.34Å; N221-M223 PolarHBondContact O-N 2.81Å; N221-G225 WeakPolarHBondContact CA-O 3.28Å; N221-G225 CarbonylContact O-C 3.47Å; N221-G225 WeakPolarHBondContact O-CA 3.44Å; N221-G225 PolarHBondContact O-N 3.24Å; N221-G225 PolarHBondContact OD1-O 3.38Å; N221-L227 WeakPolarHBondContact OD1-CB 3.29Å; N221-L227 PolarHBondContact OD1-N 3.38Å; N221-L227 VanDerWaalsContact OD1-N 3.09Å; N221-H238 PolarHBondContact OD1-CD2 2.98Å; N221-H238 VanDerWaalsContact OD1-CD2 3.3Å; N221-H238 PolarHBondContact OD1-NE2 2.68Å
222	E	88.2	Confident	88.3	Confident	193 Å²	193	61.6 Å²	61.6	90%	0.902	34%	0.337	S	S	*	.	H	α-helix	trans	-59.4	-44.7	180	-171.8	176	-177.6	0	0	111.7	E220	E220-E222 PolarHBondContact O-N 3.31Å
223	M	86.6	Confident	87.7	Confident	90 Å²	90	65.3 Å²	65.3	44%	0.443	35%	0.348	S	S	.	.	H	α-helix	trans	-81.7	-45.1	-179.8	-172.5	173.9	-65.3	0	0	111.8	E220 N221 K240 Y302 H303 L306	E220-M223 PolarHBondContact O-N 3.1Å; N221-M223 VanDerWaalsContact C-N 3.34Å; N221-M223 PolarHBondContact O-N 2.81Å; M223-K240 PolarHBondContact O-NZ 3.36Å; M223-Y302 VanDerWaalsContact O-CE1 3.24Å; M223-Y302 WeakPolarHBondContact O-CE1 3.46Å; M223-H303 HydrophobicContact SD-CB 3.87Å; M223-L306 HydrophobicContact CG-CD1 4.31Å
224	R	89.2	Confident	87.3	Confident	12 Å²	12	74.2 Å²	74.2	5%	0.045	39%	0.386	C	S	.	.	H	α-helix	trans	-97.5	-2.9	-165	-53.1	178.8	-164.7	-177.9	8.1	113.4	C214 S216 E220 H238 K240 Y302	C214-R224 PolarHBondContact SG-NH1 2.68Å; S216-R224 PolarHBondContact OG-NH1 3.24Å; E220-R224 HydrophobicContact CB-CG 4.36Å; E220-R224 PolarHBondContact O-N 3.35Å; E220-R224 IonicContact OE1-NH2 3.66Å; E220-R224 PolarHBondContact OE1-NH2 3.08Å; E220-R224 IonicContact OE2-CZ 3.85Å; E220-R224 IonicContact OE2-NE 2.6Å; E220-R224 PolarHBondContact OE2-NE 2.92Å; E220-R224 IonicContact OE2-NH2 3.22Å; E220-R224 PolarHBondContact OE2-NH2 2.98Å; R224-H238 HydrophobicContact CB-CB 3.85Å; R224-H238 WeakPolarHBondContact O-CB 3.19Å; R224-K240 WeakPolarHBondContact O-CB 3.33Å; R224-K240 WeakPolarHBondContact O-CG 3.48Å; R224-K240 PolarHBondContact O-N 3.39Å; R224-Y302 HydrophobicContact CB-CD1 4.49Å; R224-Y302 HydrophobicContact CG-CD1 4.32Å
225	G	87.9	Confident	87	Confident	12 Å²	12	74.6 Å²	74.6	12%	0.124	39%	0.388	C	S	.	.			trans	80.9	167.6	-171.9	0	0	0	0	0	111.9	N221 L227 H238	N221-G225 WeakPolarHBondContact CA-O 3.28Å; N221-G225 CarbonylContact O-C 3.47Å; N221-G225 WeakPolarHBondContact O-CA 3.44Å; N221-G225 PolarHBondContact O-N 3.24Å; N221-G225 PolarHBondContact OD1-O 3.38Å; G225-L227 PolarHBondContact O-N 3.01Å; G225-H238 PolarHBondContact O-CD2 3.22Å; G225-H238 VanDerWaalsContact O-CD2 3.22Å
226	V	89.7	Confident	87	Confident	90 Å²	90	70.4 Å²	70.4	55%	0.545	37%	0.37	S	S	.	.			trans	-54.1	134.3	-177.2	-179.6	0	0	0	0	111.1	H228 H238 Y239	V226-H228 PolarHBondContact O-CD2 3.06Å; V226-H228 PolarHBondContact O-N 3.45Å; V226-H238 WeakPolarHBondContact O-CA 3.41Å; V226-Y239 PolarHBondContact O-N 2.73Å
227	L	89.9	Confident	87	Confident	26 Å²	26	69.4 Å²	69.4	14%	0.136	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	108.6	171.4	-173.7	71.3	0	0	0	109.6	Q209 C211 E218 N221 G225 A236	Q209-L227 HydrophobicContact CB-CD2 4.45Å; Q209-L227 WeakPolarHBondContact O-CD2 3.2Å; C211-L227 HydrophobicContact CB-CD1 3.74Å; E218-L227 HydrophobicContact CB-CD2 4.49Å; N221-L227 WeakPolarHBondContact OD1-CB 3.29Å; N221-L227 PolarHBondContact OD1-N 3.38Å; N221-L227 VanDerWaalsContact OD1-N 3.09Å; G225-L227 PolarHBondContact O-N 3.01Å; L227-A236 HydrophobicContact CD1-CB 4.18Å; L227-A236 HydrophobicContact CG-CB 4.34Å
228	H	87.9	Confident	87.1	Confident	48 Å²	48	69.3 Å²	69.3	22%	0.222	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	137.5	171.4	-67.4	-84.9	0	0	0	109.4	V226 A236 A237 M242 F259	V226-H228 PolarHBondContact O-CD2 3.06Å; V226-H228 PolarHBondContact O-N 3.45Å; H228-A236 CarbonylContact O-C 3.33Å; H228-A236 WeakPolarHBondContact O-CA 3.34Å; H228-A237 PolarHBondContact N-O 2.84Å; H228-A237 PolarHBondContact O-N 3.48Å; H228-M242 HydrophobicContact CB-CE 4.09Å; H228-F259 VanDerWaalsContact C-CE2 3.42Å; H228-F259 HydrophobicContact CB-CD1 4.39Å; H228-F259 HydrophobicContact CB-CD2 3.91Å; H228-F259 HydrophobicContact CB-CE1 4.14Å; H228-F259 HydrophobicContact CB-CE2 3.6Å; H228-F259 HydrophobicContact CB-CG 4.29Å; H228-F259 HydrophobicContact CB-CZ 3.72Å; H228-F259 WeakPolarHBondContact O-CE2 3.37Å; H228-F259 WeakPolarHBondContact O-CZ 3.33Å
229	A	86.5	Confident	87.1	Confident	37 Å²	37	65.8 Å²	65.8	31%	0.306	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	138.8	178.7	0	0	0	0	0	112.6	Q209 V235 A236	Q209-A229 HydrophobicContact CB-CB 4.44Å; Q209-A229 HydrophobicContact CG-CB 4.49Å; A229-V235 WeakPolarHBondContact CA-O 3.15Å; A229-A236 HydrophobicContact CB-CB 3.81Å
230	D	83.2	Confident	87.2	Confident	37 Å²	37	63 Å²	63	20%	0.198	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	108.8	171.9	179.9	-24.7	0	0	0	107.8	A232 K233 K234 V235 F259 I264	D230-A232 VanDerWaalsContact C-N 3.34Å; D230-A232 WeakPolarHBondContact OD1-CA 3.23Å; D230-A232 VanDerWaalsContact OD1-CB 3.31Å; D230-A232 WeakPolarHBondContact OD1-CB 3.38Å; D230-A232 PolarHBondContact OD1-N 3.05Å; D230-K233 PolarHBondContact OD1-N 3.05Å; D230-K234 WeakPolarHBondContact O-CA 3.5Å; D230-K234 PolarHBondContact O-N 2.58Å; D230-V235 PolarHBondContact N-O 2.9Å; D230-V235 PolarHBondContact O-N 3.4Å; D230-V235 VanDerWaalsContact O-N 3.13Å; D230-F259 HydrophobicContact CB-CD2 4.3Å; D230-F259 HydrophobicContact CB-CE2 4.23Å; D230-I264 HydrophobicContact CB-CD1 3.57Å; D230-I264 WeakPolarHBondContact OD2-CD1 3.24Å
231	N	79.9	Confident	87.3	Confident	125 Å²	125	60.1 Å²	60.1	67%	0.668	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-31.1	179.9	-71.9	-47.7	0	0	0	112.9	Q209	Q209-N231 PolarHBondContact NE2-OD1 2.75Å
232	A	80.5	Confident	87.4	Confident	95 Å²	95	58 Å²	58	79%	0.785	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-37.8	-179.7	0	0	0	0	0	111.2	D230	D230-A232 VanDerWaalsContact C-N 3.34Å; D230-A232 WeakPolarHBondContact OD1-CA 3.23Å; D230-A232 VanDerWaalsContact OD1-CB 3.31Å; D230-A232 WeakPolarHBondContact OD1-CB 3.38Å; D230-A232 PolarHBondContact OD1-N 3.05Å
233	K	78.6	Confident	87.4	Confident	101 Å²	101	49.2 Å²	49.2	44%	0.439	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-4	178.9	-65.5	179.2	-170.7	158.1	0	114.1	D230 V235 I264 I268	D230-K233 PolarHBondContact OD1-N 3.05Å; K233-V235 VanDerWaalsContact C-N 3.29Å; K233-V235 HydrophobicContact CB-CG2 4.25Å; K233-V235 WeakPolarHBondContact O-CG2 3.3Å; K233-V235 PolarHBondContact O-N 3.29Å; K233-I264 HydrophobicContact CD-CD1 3.92Å; K233-I264 HydrophobicContact CD-CG1 4.37Å; K233-I264 VanDerWaalsContact NZ-CG2 3.26Å; K233-I268 HydrophobicContact CB-CD1 4.36Å; K233-I268 HydrophobicContact CD-CD1 3.76Å
234	K	83.6	Confident	87.6	Confident	189 Å²	189	45.2 Å²	45.2	82%	0.822	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.8	45.7	-175.9	-60	-176.2	176.6	-178.9	0	112.2	D230	D230-K234 WeakPolarHBondContact O-CA 3.5Å; D230-K234 PolarHBondContact O-N 2.58Å
235	V	87.2	Confident	87.5	Confident	22 Å²	22	44.8 Å²	44.8	13%	0.133	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	132	-177.9	171	0	0	0	0	108.5	A229 D230 K233 I268 I271	A229-V235 WeakPolarHBondContact CA-O 3.15Å; D230-V235 PolarHBondContact N-O 2.9Å; D230-V235 PolarHBondContact O-N 3.4Å; D230-V235 VanDerWaalsContact O-N 3.13Å; K233-V235 VanDerWaalsContact C-N 3.29Å; K233-V235 HydrophobicContact CB-CG2 4.25Å; K233-V235 WeakPolarHBondContact O-CG2 3.3Å; K233-V235 PolarHBondContact O-N 3.29Å; V235-I268 HydrophobicContact CB-CG1 4.41Å; V235-I268 HydrophobicContact CG1-CG1 4.12Å; V235-I268 HydrophobicContact CG2-CD1 4.02Å; V235-I268 HydrophobicContact CG2-CG1 3.77Å; V235-I271 HydrophobicContact CG1-CD1 3.63Å
236	A	91.1	Very high	87	Confident	8 Å²	8	48 Å²	48	7%	0.066	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	146	172	0	0	0	0	0	110.5	Q209 C211 G212 L227 H228 A229	Q209-A236 HydrophobicContact CB-CB 3.92Å; C211-A236 CarbonylContact C-O 3.51Å; C211-A236 WeakPolarHBondContact CA-O 3.16Å; G212-A236 PolarHBondContact N-O 3.29Å; L227-A236 HydrophobicContact CD1-CB 4.18Å; L227-A236 HydrophobicContact CG-CB 4.34Å; H228-A236 CarbonylContact O-C 3.33Å; H228-A236 WeakPolarHBondContact O-CA 3.34Å; A229-A236 HydrophobicContact CB-CB 3.81Å
237	A	91.3	Very high	86	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	139.2	177.6	0	0	0	0	0	111.7	F213 H228 M242 V267	F213-A237 HydrophobicContact CD2-CB 3.76Å; F213-A237 HydrophobicContact CE2-CB 3.59Å; H228-A237 PolarHBondContact N-O 2.84Å; H228-A237 PolarHBondContact O-N 3.48Å; A237-M242 HydrophobicContact CB-CE 4.45Å; A237-M242 HydrophobicContact CB-CG 3.52Å; A237-M242 HydrophobicContact CB-SD 3.69Å; A237-V267 HydrophobicContact CB-CG1 4.32Å
238	H	92.6	Very high	85.1	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	142.5	174.2	-64.1	111.2	0	0	0	110.9	C211 C214 S216 G217 N221 R224 G225 V226 K240 C241 M242	C211-H238 VanDerWaalsContact CB-ND1 3.26Å; C211-H238 WeakPolarHBondContact CB-ND1 3.3Å; C211-H238 PolarHBondContact SG-N 3.14Å; C211-H238 VanDerWaalsContact SG-N 3.41Å; C211-H238 PolarHBondContact SG-ND1 3.26Å; C211-H238 VanDerWaalsContact SG-ND1 3.42Å; C214-H238 PolarHBondContact SG-ND1 3.43Å; S216-H238 PolarHBondContact O-CE1 3.21Å; G217-H238 PolarHBondContact O-CE1 2.89Å; G217-H238 VanDerWaalsContact O-CE1 3.24Å; G217-H238 PolarHBondContact O-NE2 3.06Å; N221-H238 PolarHBondContact OD1-CD2 2.98Å; N221-H238 VanDerWaalsContact OD1-CD2 3.3Å; N221-H238 PolarHBondContact OD1-NE2 2.68Å; R224-H238 HydrophobicContact CB-CB 3.85Å; R224-H238 WeakPolarHBondContact O-CB 3.19Å; G225-H238 PolarHBondContact O-CD2 3.22Å; G225-H238 VanDerWaalsContact O-CD2 3.22Å; V226-H238 WeakPolarHBondContact O-CA 3.41Å; H238-K240 PolarHBondContact O-N 3.26Å; H238-C241 HydrophobicContact CB-CB 4.11Å; H238-C241 WeakPolarHBondContact O-CB 3.2Å; H238-C241 PolarHBondContact O-N 3.43Å; H238-M242 PolarHBondContact O-N 3.41Å
239	Y	89.8	Confident	83.8	Confident	69 Å²	69	47.3 Å²	47.3	27%	0.271	27%	0.271	S	S	.	.	H	α-helix	trans	-50	-51.4	-178.8	179.4	-104.2	0	0	0	113	V226 C241 M242 L243 F262	V226-Y239 PolarHBondContact O-N 2.73Å; Y239-C241 VanDerWaalsContact C-N 3.34Å; Y239-C241 PolarHBondContact O-N 3.34Å; Y239-M242 WeakPolarHBondContact O-CB 3.42Å; Y239-M242 PolarHBondContact O-N 2.69Å; Y239-L243 HydrophobicContact CD1-CD2 4.47Å; Y239-L243 HydrophobicContact CE1-CD2 3.78Å; Y239-L243 VanDerWaalsContact O-CB 3.31Å; Y239-L243 WeakPolarHBondContact O-CB 3.24Å; Y239-L243 PolarHBondContact O-N 3.25Å; Y239-F262 AromaticContact CD2-CE2 3.87Å; Y239-F262 HydrophobicContact CD2-CE2 3.87Å; Y239-F262 AromaticContact CE2-CE2 3.63Å; Y239-F262 HydrophobicContact CE2-CE2 3.63Å; Y239-F262 HydrophobicContact CE2-CZ 4.23Å
240	K	90.6	Very high	82.6	Confident	60 Å²	60	47.4 Å²	47.4	26%	0.261	27%	0.265	S	S	.	.	H	α-helix	trans	-74	-24.5	-178.3	-53.8	-176.2	-172.7	171	0	113.2	M223 R224 H238 M242 F244 Y302	M223-K240 PolarHBondContact O-NZ 3.36Å; R224-K240 WeakPolarHBondContact O-CB 3.33Å; R224-K240 WeakPolarHBondContact O-CG 3.48Å; R224-K240 PolarHBondContact O-N 3.39Å; H238-K240 PolarHBondContact O-N 3.26Å; K240-M242 VanDerWaalsContact C-N 3.34Å; K240-F244 WeakPolarHBondContact O-CD2 3.4Å; K240-F244 PolarHBondContact O-N 3.41Å; K240-Y302 HydrophobicContact CB-CD1 4.17Å; K240-Y302 HydrophobicContact CB-CD2 3.82Å; K240-Y302 HydrophobicContact CB-CE1 4.09Å; K240-Y302 HydrophobicContact CB-CE2 3.73Å; K240-Y302 HydrophobicContact CB-CG 4.05Å; K240-Y302 HydrophobicContact CD-CE1 3.69Å; K240-Y302 HydrophobicContact CD-CE2 3.99Å; K240-Y302 VanDerWaalsContact CD-OH 3.26Å; K240-Y302 WeakPolarHBondContact CD-OH 3.31Å; K240-Y302 HydrophobicContact CG-CE2 4.45Å
241	C	91.8	Very high	81.4	Confident	3 Å²	3	49.4 Å²	49.4	2%	0.02	28%	0.275	C	S	.	.	H	α-helix	trans	-68.6	-36.2	171.8	-69.4	0	0	0	0	111.7	F213 H238 Y239	F213-C241 HydrophobicContact CB-CB 4.14Å; F213-C241 HydrophobicContact CD2-CB 3.91Å; F213-C241 HydrophobicContact CG-CB 4.28Å; H238-C241 HydrophobicContact CB-CB 4.11Å; H238-C241 WeakPolarHBondContact O-CB 3.2Å; H238-C241 PolarHBondContact O-N 3.43Å; Y239-C241 VanDerWaalsContact C-N 3.34Å; Y239-C241 PolarHBondContact O-N 3.34Å
242	M	90.2	Very high	80.2	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-70.9	-54.4	171.5	-63.9	-176.7	-72	0	0	110.7	F213 H228 A237 H238 Y239 K240 F244 S245 T248 F259 F262 V267	F213-M242 HydrophobicContact CE2-CG 3.85Å; H228-M242 HydrophobicContact CB-CE 4.09Å; A237-M242 HydrophobicContact CB-CE 4.45Å; A237-M242 HydrophobicContact CB-CG 3.52Å; A237-M242 HydrophobicContact CB-SD 3.69Å; H238-M242 PolarHBondContact O-N 3.41Å; Y239-M242 WeakPolarHBondContact O-CB 3.42Å; Y239-M242 PolarHBondContact O-N 2.69Å; K240-M242 VanDerWaalsContact C-N 3.34Å; M242-F244 PolarHBondContact O-N 2.8Å; M242-F244 VanDerWaalsContact O-N 3.09Å; M242-S245 VanDerWaalsContact O-CB 3.29Å; M242-S245 WeakPolarHBondContact O-CB 3.31Å; M242-S245 PolarHBondContact O-N 2.84Å; M242-T248 PolarHBondContact O-OG1 3.01Å; M242-F259 HydrophobicContact CE-CD1 4.34Å; M242-F259 HydrophobicContact CE-CE1 4Å; M242-F259 HydrophobicContact SD-CD1 3.77Å; M242-F259 HydrophobicContact SD-CE1 3.23Å; M242-F259 WeakPolarHBondContact SD-CE1 3.49Å; M242-F259 HydrophobicContact SD-CZ 4.19Å; M242-F262 HydrophobicContact CB-CD2 4.4Å; M242-F262 HydrophobicContact CB-CE2 4.22Å; M242-F262 HydrophobicContact CB-CZ 4.28Å; M242-F262 HydrophobicContact CE-CD2 4.24Å; M242-F262 HydrophobicContact CE-CE2 4.41Å; M242-F262 HydrophobicContact SD-CD2 4.36Å; M242-V267 HydrophobicContact CG-CG1 4.05Å; M242-V267 HydrophobicContact CG-CG2 4.4Å; M242-V267 HydrophobicContact SD-CG1 3.9Å; M242-V267 HydrophobicContact SD-CG2 3.96Å
243	L	88.3	Confident	78.5	Confident	10 Å²	10	49.7 Å²	49.7	5%	0.052	27%	0.272	C	S	.	.	H	α-helix	trans	-50.6	-40.7	-171.7	-173.1	66.4	0	0	0	114.2	Y239 F262 Y321	Y239-L243 HydrophobicContact CD1-CD2 4.47Å; Y239-L243 HydrophobicContact CE1-CD2 3.78Å; Y239-L243 VanDerWaalsContact O-CB 3.31Å; Y239-L243 WeakPolarHBondContact O-CB 3.24Å; Y239-L243 PolarHBondContact O-N 3.25Å; L243-F262 HydrophobicContact CB-CZ 4.04Å; L243-F262 HydrophobicContact CD1-CE1 4.34Å; L243-F262 HydrophobicContact CD1-CZ 3.7Å; L243-Y321 HydrophobicContact CD1-CD1 3.69Å; L243-Y321 HydrophobicContact CD1-CD2 3.71Å; L243-Y321 HydrophobicContact CD1-CE1 3.72Å; L243-Y321 HydrophobicContact CD1-CE2 3.77Å; L243-Y321 HydrophobicContact CD1-CG 3.66Å; L243-Y321 HydrophobicContact CD2-CD1 3.55Å; L243-Y321 HydrophobicContact CD2-CE1 3.62Å; L243-Y321 HydrophobicContact CD2-CG 4.28Å; L243-Y321 HydrophobicContact CG-CD1 3.48Å; L243-Y321 VanDerWaalsContact CG-CD1 3.48Å; L243-Y321 HydrophobicContact CG-CD2 4.26Å; L243-Y321 HydrophobicContact CG-CE1 3.86Å; L243-Y321 HydrophobicContact CG-CG 3.67Å; L243-Y321 WeakPolarHBondContact O-CB 3.47Å
244	F	89	Confident	77.2	Confident	5 Å²	5	51.2 Å²	51.2	2%	0.022	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	2.5	-178.2	-72.9	-73.2	0	0	0	114.5	K240 M242 S246 I289 Y302 Y312 E314 Y321	K240-F244 WeakPolarHBondContact O-CD2 3.4Å; K240-F244 PolarHBondContact O-N 3.41Å; M242-F244 PolarHBondContact O-N 2.8Å; M242-F244 VanDerWaalsContact O-N 3.09Å; F244-S246 PolarHBondContact O-N 3.27Å; F244-I289 HydrophobicContact CB-CD1 3.81Å; F244-I289 HydrophobicContact CB-CG1 3.99Å; F244-I289 HydrophobicContact CB-CG2 3.94Å; F244-I289 WeakPolarHBondContact O-CG2 3.2Å; F244-Y302 AromaticContact CD2-CD2 3.85Å; F244-Y302 HydrophobicContact CD2-CD2 3.85Å; F244-Y302 AromaticContact CD2-CE2 3.74Å; F244-Y302 HydrophobicContact CD2-CE2 3.74Å; F244-Y302 HydrophobicContact CE2-CD2 4.34Å; F244-Y302 AromaticContact CE2-CE2 3.75Å; F244-Y302 HydrophobicContact CE2-CE2 3.75Å; F244-Y312 HydrophobicContact CB-CE1 4.33Å; F244-Y312 AromaticContact CD1-CD1 3.64Å; F244-Y312 HydrophobicContact CD1-CD1 3.64Å; F244-Y312 HydrophobicContact CD1-CE1 4.2Å; F244-Y312 AromaticContact CD2-CD1 3.88Å; F244-Y312 HydrophobicContact CD2-CD1 3.88Å; F244-Y312 HydrophobicContact CD2-CE1 4.03Å; F244-Y312 AromaticContact CE1-CD1 3.54Å; F244-Y312 HydrophobicContact CE1-CD1 3.54Å; F244-Y312 HydrophobicContact CE1-CE1 4.47Å; F244-Y312 HydrophobicContact CE1-CG 4.3Å; F244-Y312 AromaticContact CE2-CD1 3.76Å; F244-Y312 HydrophobicContact CE2-CD1 3.76Å; F244-Y312 HydrophobicContact CE2-CE1 4.31Å; F244-Y312 AromaticContact CG-CD1 3.78Å; F244-Y312 HydrophobicContact CG-CD1 3.78Å; F244-Y312 AromaticContact CG-CE1 3.93Å; F244-Y312 HydrophobicContact CG-CE1 3.93Å; F244-Y312 AromaticContact CZ-CD1 3.55Å; F244-Y312 HydrophobicContact CZ-CD1 3.55Å; F244-Y312 HydrophobicContact CZ-CE1 4.48Å; F244-Y312 HydrophobicContact CZ-CG 4.13Å; F244-E314 HydrophobicContact CE1-CG 4.07Å; F244-E314 HydrophobicContact CE2-CG 4.36Å; F244-E314 HydrophobicContact CZ-CG 3.41Å; F244-E314 VanDerWaalsContact CZ-CG 3.41Å; F244-E314 VanDerWaalsContact CZ-OE1 3.31Å; F244-E314 WeakPolarHBondContact CZ-OE1 3.47Å; F244-Y321 HydrophobicContact CE1-CD1 4.39Å; F244-Y321 HydrophobicContact CZ-CD1 4.44Å
245	S	88.3	Confident	75.4	Confident	4 Å²	4	47.1 Å²	47.1	3%	0.028	29%	0.291	C	S	.	.			trans	-67.2	127.2	177	-163.1	0	0	0	0	109.3	M242 G247 T248 E270 T288	M242-S245 VanDerWaalsContact O-CB 3.29Å; M242-S245 WeakPolarHBondContact O-CB 3.31Å; M242-S245 PolarHBondContact O-N 2.84Å; S245-G247 PolarHBondContact O-N 3.26Å; S245-T248 PolarHBondContact O-N 2.59Å; S245-T248 PolarHBondContact O-OG1 2.85Å; S245-E270 PolarHBondContact OG-OE2 3.29Å; S245-T288 WeakPolarHBondContact OG-CB 3.07Å; S245-T288 PolarHBondContact OG-OG1 2.83Å
246	S	77.8	Confident	73.7	Confident	79 Å²	79	57.8 Å²	57.8	55%	0.552	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-14.9	-168.7	-52.8	0	0	0	0	115.4	F244 T288 G290	F244-S246 PolarHBondContact O-N 3.27Å; S246-T288 PolarHBondContact N-O 3.22Å; S246-T288 PolarHBondContact OG-O 3.32Å; S246-G290 PolarHBondContact OG-N 3.13Å
247	G	68.8	Low	71.7	Confident	36 Å²	36	59.2 Å²	59.2	37%	0.371	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.4	5.4	177.3	0	0	0	0	0	115.5	S245 E270	S245-G247 PolarHBondContact O-N 3.26Å; G247-E270 VanDerWaalsContact CA-CD 3.41Å; G247-E270 WeakPolarHBondContact CA-OE2 3.37Å; G247-E270 PolarHBondContact N-OE2 3.08Å
248	T	70.8	Confident	70	Confident	21 Å²	21	69 Å²	69	13%	0.129	39%	0.386	C	S	.	.			trans	-85.8	134.8	174.5	46.7	0	0	0	0	110.9	M242 S245 V267 E270	M242-T248 PolarHBondContact O-OG1 3.01Å; S245-T248 PolarHBondContact O-N 2.59Å; S245-T248 PolarHBondContact O-OG1 2.85Å; T248-V267 HydrophobicContact CG2-CG2 4.2Å; T248-E270 HydrophobicContact CG2-CB 4.36Å; T248-E270 HydrophobicContact CG2-CG 4.02Å
249	V	59.9	Low	68.3	Low	93 Å²	93	69.4 Å²	69.4	56%	0.564	39%	0.388	S	S	*	.			trans	-104.3	121.1	172.6	-177.8	0	0	0	0	108.1
250	Q	62.3	Low	66.8	Low	39 Å²	39	67 Å²	67	18%	0.182	38%	0.383	C	S	.	.	B	Isolated β-bridge	trans	-78	128.8	171.2	-170.6	175.4	-0.4	0	0	109.2	T252 F262 Y321	Q250-T252 PolarHBondContact O-N 3.35Å; Q250-F262 HydrophobicContact CB-CD1 4.42Å; Q250-F262 HydrophobicContact CB-CE1 3.96Å; Q250-F262 HydrophobicContact CG-CE1 4.23Å; Q250-F262 HydrophobicContact CG-CZ 4.39Å; Q250-Y321 PolarHBondContact OE1-OH 2.88Å
251	L	57.6	Low	65.8	Low	79 Å²	79	68.9 Å²	68.9	41%	0.414	40%	0.396	S	S	.	.			trans	-83.3	108.4	176.7	-65.6	161.7	0	0	0	107.7	A257 N261 D263	L251-A257 HydrophobicContact CD1-CB 4.38Å; L251-N261 PolarHBondContact N-O 2.88Å; L251-D263 HydrophobicContact CD1-CB 4.24Å
252	T	54.2	Low	65	Low	106 Å²	106	68.8 Å²	68.8	65%	0.65	40%	0.396	S	S	*	.			trans	-86.3	-2.9	-175.6	51.7	0	0	0	0	114.1	Q250	Q250-T252 PolarHBondContact O-N 3.35Å
253	T	44.7	Very low	64.5	Low	120 Å²	120	71.7 Å²	71.7	74%	0.736	41%	0.411	S	S	*	.	S	Bend	trans	-138	131.7	179.3	51.5	0	0	0	0	112.2	S255	T253-S255 PolarHBondContact O-N 2.81Å
254	S	51.2	Low	64.2	Low	132 Å²	132	72.2 Å²	72.2	92%	0.923	41%	0.414	S	S	*	.			trans	-54	102	-173.3	-161.2	0	0	0	0	112.9
255	S	46	Very low	63.9	Low	104 Å²	104	78.7 Å²	78.7	73%	0.727	44%	0.442	S	S	*	.	S	Bend	trans	-159.4	96.2	146	55.5	0	0	0	0	109.4	T253	T253-S255 PolarHBondContact O-N 2.81Å
256	R	52.1	Low	63.8	Low	245 Å²	245	79.6 Å²	79.6	93%	0.925	45%	0.448	S	S	*	.			trans	63.5	103.4	175.7	-68.1	174.6	124.2	148.2	0	117.1
257	A	49.2	Very low	64.2	Low	39 Å²	39	75.9 Å²	75.9	32%	0.322	42%	0.421	S	S	.	.			trans	-163.2	109.3	146.4	0	0	0	0	0	112.8	L251 F259	L251-A257 HydrophobicContact CD1-CB 4.38Å; A257-F259 PolarHBondContact O-N 2.97Å
258	E	55.7	Low	65.1	Low	206 Å²	206	75.8 Å²	75.8	96%	0.963	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	27.8	174.6	-68.2	176	161.6	0	0	113.5
259	F	56.3	Low	66	Low	8 Å²	8	80.9 Å²	80.9	4%	0.035	44%	0.435	C	S	.	.	T	Hydrogen-bonded Turn	trans	-139.2	67.2	-178.3	-157.1	-101.2	0	0	0	111.6	H228 D230 M242 A257 N261 F262 I264 V267	H228-F259 VanDerWaalsContact C-CE2 3.42Å; H228-F259 HydrophobicContact CB-CD1 4.39Å; H228-F259 HydrophobicContact CB-CD2 3.91Å; H228-F259 HydrophobicContact CB-CE1 4.14Å; H228-F259 HydrophobicContact CB-CE2 3.6Å; H228-F259 HydrophobicContact CB-CG 4.29Å; H228-F259 HydrophobicContact CB-CZ 3.72Å; H228-F259 WeakPolarHBondContact O-CE2 3.37Å; H228-F259 WeakPolarHBondContact O-CZ 3.33Å; D230-F259 HydrophobicContact CB-CD2 4.3Å; D230-F259 HydrophobicContact CB-CE2 4.23Å; M242-F259 HydrophobicContact CE-CD1 4.34Å; M242-F259 HydrophobicContact CE-CE1 4Å; M242-F259 HydrophobicContact SD-CD1 3.77Å; M242-F259 HydrophobicContact SD-CE1 3.23Å; M242-F259 WeakPolarHBondContact SD-CE1 3.49Å; M242-F259 HydrophobicContact SD-CZ 4.19Å; A257-F259 PolarHBondContact O-N 2.97Å; F259-N261 PolarHBondContact O-N 3.46Å; F259-N261 VanDerWaalsContact O-N 3.11Å; F259-F262 PolarHBondContact O-N 3.32Å; F259-I264 HydrophobicContact CD2-CD1 4.4Å; F259-I264 HydrophobicContact CG-CD1 4.48Å; F259-V267 HydrophobicContact CE1-CG1 4.17Å
260	G	57.4	Low	67.5	Low	17 Å²	17	77.2 Å²	77.2	18%	0.175	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.1	26.9	176.1	0	0	0	0	0	114.8	F262	G260-F262 VanDerWaalsContact C-N 3.33Å; G260-F262 WeakPolarHBondContact O-CD2 3.42Å; G260-F262 WeakPolarHBondContact O-CE2 3.45Å; G260-F262 PolarHBondContact O-N 3.43Å
261	N	70.6	Confident	68.9	Low	100 Å²	100	76.4 Å²	76.4	54%	0.535	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.5	26	-174.5	-54.1	-37.8	0	0	0	115.5	L251 F259	L251-N261 PolarHBondContact N-O 2.88Å; F259-N261 PolarHBondContact O-N 3.46Å; F259-N261 VanDerWaalsContact O-N 3.11Å
262	F	73.9	Confident	70.5	Confident	2 Å²	2	78.6 Å²	78.6	1%	0.009	41%	0.414	C	S	.	.	B	Isolated β-bridge	trans	-106.8	149.1	171.6	-65.5	-86.7	0	0	0	111.8	Y239 M242 L243 Q250 F259 G260 I264 V267	Y239-F262 AromaticContact CD2-CE2 3.87Å; Y239-F262 HydrophobicContact CD2-CE2 3.87Å; Y239-F262 AromaticContact CE2-CE2 3.63Å; Y239-F262 HydrophobicContact CE2-CE2 3.63Å; Y239-F262 HydrophobicContact CE2-CZ 4.23Å; M242-F262 HydrophobicContact CB-CD2 4.4Å; M242-F262 HydrophobicContact CB-CE2 4.22Å; M242-F262 HydrophobicContact CB-CZ 4.28Å; M242-F262 HydrophobicContact CE-CD2 4.24Å; M242-F262 HydrophobicContact CE-CE2 4.41Å; M242-F262 HydrophobicContact SD-CD2 4.36Å; L243-F262 HydrophobicContact CB-CZ 4.04Å; L243-F262 HydrophobicContact CD1-CE1 4.34Å; L243-F262 HydrophobicContact CD1-CZ 3.7Å; Q250-F262 HydrophobicContact CB-CD1 4.42Å; Q250-F262 HydrophobicContact CB-CE1 3.96Å; Q250-F262 HydrophobicContact CG-CE1 4.23Å; Q250-F262 HydrophobicContact CG-CZ 4.39Å; F259-F262 PolarHBondContact O-N 3.32Å; G260-F262 VanDerWaalsContact C-N 3.33Å; G260-F262 WeakPolarHBondContact O-CD2 3.42Å; G260-F262 WeakPolarHBondContact O-CE2 3.45Å; G260-F262 PolarHBondContact O-N 3.43Å; F262-I264 PolarHBondContact O-N 2.76Å; F262-I264 VanDerWaalsContact O-N 3.12Å; F262-V267 HydrophobicContact CB-CG2 3.86Å; F262-V267 HydrophobicContact CG-CG2 4.48Å
263	D	79.6	Confident	72.3	Confident	60 Å²	60	76.7 Å²	76.7	32%	0.321	40%	0.395	S	S	.	.			trans	-70.1	107.5	164.3	179	3.4	0	0	0	109.2	L251 K265 T266 V267	L251-D263 HydrophobicContact CD1-CB 4.24Å; D263-K265 PolarHBondContact O-N 3.11Å; D263-K265 WeakPolarHBondContact OD1-CB 3.5Å; D263-K265 PolarHBondContact OD1-N 3.42Å; D263-T266 HydrophobicContact CB-CG2 3.91Å; D263-T266 WeakPolarHBondContact O-CB 3.31Å; D263-T266 PolarHBondContact O-N 3.5Å; D263-T266 PolarHBondContact O-OG1 2.76Å; D263-V267 PolarHBondContact O-N 2.9Å; D263-V267 VanDerWaalsContact O-N 3.17Å
264	I	81.8	Confident	74.6	Confident	22 Å²	22	71 Å²	71	11%	0.113	36%	0.36	C	S	.	.	H	α-helix	trans	-53	-29.6	178.2	-169.5	164.4	0	0	0	113.6	D230 K233 F259 F262 V267 I268	D230-I264 HydrophobicContact CB-CD1 3.57Å; D230-I264 WeakPolarHBondContact OD2-CD1 3.24Å; K233-I264 HydrophobicContact CD-CD1 3.92Å; K233-I264 HydrophobicContact CD-CG1 4.37Å; K233-I264 VanDerWaalsContact NZ-CG2 3.26Å; F259-I264 HydrophobicContact CD2-CD1 4.4Å; F259-I264 HydrophobicContact CG-CD1 4.48Å; F262-I264 PolarHBondContact O-N 2.76Å; F262-I264 VanDerWaalsContact O-N 3.12Å; I264-V267 PolarHBondContact O-N 3.01Å; I264-I268 HydrophobicContact CG1-CD1 3.98Å; I264-I268 HydrophobicContact CG1-CG1 4.33Å; I264-I268 WeakPolarHBondContact O-CB 3.26Å; I264-I268 WeakPolarHBondContact O-CG1 3.38Å; I264-I268 PolarHBondContact O-N 3.43Å
265	K	83.9	Confident	76.5	Confident	141 Å²	141	71.7 Å²	71.7	61%	0.613	35%	0.346	S	S	*	.	H	α-helix	trans	-63.9	-43.6	175.5	-66	178.2	-179	174.5	0	110.8	D263 I268 Q269	D263-K265 PolarHBondContact O-N 3.11Å; D263-K265 WeakPolarHBondContact OD1-CB 3.5Å; D263-K265 PolarHBondContact OD1-N 3.42Å; K265-I268 PolarHBondContact O-N 3.48Å; K265-Q269 WeakPolarHBondContact O-CG 3.45Å; K265-Q269 PolarHBondContact O-N 3.27Å
266	T	85	Confident	78.7	Confident	23 Å²	23	76.5 Å²	76.5	14%	0.141	35%	0.349	C	S	.	.	H	α-helix	trans	-64.7	-42.1	176.8	70.3	0	0	0	0	111.2	D263 I268 Q269 E270	D263-T266 HydrophobicContact CB-CG2 3.91Å; D263-T266 WeakPolarHBondContact O-CB 3.31Å; D263-T266 PolarHBondContact O-N 3.5Å; D263-T266 PolarHBondContact O-OG1 2.76Å; T266-I268 PolarHBondContact O-N 2.98Å; T266-Q269 WeakPolarHBondContact O-CB 3.03Å; T266-Q269 PolarHBondContact O-N 3.5Å; T266-E270 WeakPolarHBondContact O-CG 3.25Å; T266-E270 PolarHBondContact O-N 3.1Å
267	V	87.3	Confident	80.5	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-60.7	-45.4	176.2	179.4	0	0	0	0	111	F213 A237 M242 T248 F259 F262 D263 I264 Q269 E270 I271	F213-V267 HydrophobicContact CE2-CG1 4.1Å; F213-V267 HydrophobicContact CZ-CG1 4.15Å; A237-V267 HydrophobicContact CB-CG1 4.32Å; M242-V267 HydrophobicContact CG-CG1 4.05Å; M242-V267 HydrophobicContact CG-CG2 4.4Å; M242-V267 HydrophobicContact SD-CG1 3.9Å; M242-V267 HydrophobicContact SD-CG2 3.96Å; T248-V267 HydrophobicContact CG2-CG2 4.2Å; F259-V267 HydrophobicContact CE1-CG1 4.17Å; F262-V267 HydrophobicContact CB-CG2 3.86Å; F262-V267 HydrophobicContact CG-CG2 4.48Å; D263-V267 PolarHBondContact O-N 2.9Å; D263-V267 VanDerWaalsContact O-N 3.17Å; I264-V267 PolarHBondContact O-N 3.01Å; V267-Q269 VanDerWaalsContact C-N 3.33Å; V267-Q269 PolarHBondContact O-N 3.45Å; V267-E270 PolarHBondContact O-N 2.91Å; V267-I271 HydrophobicContact CG1-CD1 3.95Å; V267-I271 HydrophobicContact CG1-CG1 4.44Å; V267-I271 WeakPolarHBondContact O-CG1 3.3Å; V267-I271 PolarHBondContact O-N 3.45Å
268	I	88.3	Confident	82.7	Confident	34 Å²	34	72.8 Å²	72.8	17%	0.174	33%	0.333	C	S	.	.	H	α-helix	trans	-62.1	-41.3	177	-70.7	169.3	0	0	0	111.3	K233 V235 I264 K265 T266 E270 I271 K272	K233-I268 HydrophobicContact CB-CD1 4.36Å; K233-I268 HydrophobicContact CD-CD1 3.76Å; V235-I268 HydrophobicContact CB-CG1 4.41Å; V235-I268 HydrophobicContact CG1-CG1 4.12Å; V235-I268 HydrophobicContact CG2-CD1 4.02Å; V235-I268 HydrophobicContact CG2-CG1 3.77Å; I264-I268 HydrophobicContact CG1-CD1 3.98Å; I264-I268 HydrophobicContact CG1-CG1 4.33Å; I264-I268 WeakPolarHBondContact O-CB 3.26Å; I264-I268 WeakPolarHBondContact O-CG1 3.38Å; I264-I268 PolarHBondContact O-N 3.43Å; K265-I268 PolarHBondContact O-N 3.48Å; T266-I268 PolarHBondContact O-N 2.98Å; I268-E270 VanDerWaalsContact C-N 3.33Å; I268-I271 PolarHBondContact O-N 3.32Å; I268-K272 HydrophobicContact CG2-CD 4.31Å; I268-K272 WeakPolarHBondContact O-CB 3.31Å; I268-K272 WeakPolarHBondContact O-CG 3.33Å; I268-K272 PolarHBondContact O-N 3.47Å
269	Q	89.3	Confident	84.7	Confident	129 Å²	129	63.1 Å²	63.1	60%	0.603	29%	0.288	S	S	*	.	H	α-helix	trans	-62.4	-42.5	175.8	-74	174.7	-4	0	0	111.4	K265 T266 V267 K272 R273	K265-Q269 WeakPolarHBondContact O-CG 3.45Å; K265-Q269 PolarHBondContact O-N 3.27Å; T266-Q269 WeakPolarHBondContact O-CB 3.03Å; T266-Q269 PolarHBondContact O-N 3.5Å; V267-Q269 VanDerWaalsContact C-N 3.33Å; V267-Q269 PolarHBondContact O-N 3.45Å; Q269-K272 CarbonylContact O-C 3.57Å; Q269-K272 WeakPolarHBondContact O-CB 3.46Å; Q269-K272 PolarHBondContact O-N 3.29Å; Q269-R273 PolarHBondContact O-N 3.42Å
270	E	91.2	Very high	86.5	Confident	16 Å²	16	65.3 Å²	65.3	8%	0.075	30%	0.303	C	S	.	.	H	α-helix	trans	-67.2	-40	177.6	-76.3	-69.6	92.5	0	0	112.3	F213 S245 G247 T248 T266 V267 I268 K272 R273 G274 T288	F213-E270 HydrophobicContact CE1-CB 4.01Å; F213-E270 HydrophobicContact CZ-CB 4.14Å; S245-E270 PolarHBondContact OG-OE2 3.29Å; G247-E270 VanDerWaalsContact CA-CD 3.41Å; G247-E270 WeakPolarHBondContact CA-OE2 3.37Å; G247-E270 PolarHBondContact N-OE2 3.08Å; T248-E270 HydrophobicContact CG2-CB 4.36Å; T248-E270 HydrophobicContact CG2-CG 4.02Å; T266-E270 WeakPolarHBondContact O-CG 3.25Å; T266-E270 PolarHBondContact O-N 3.1Å; V267-E270 PolarHBondContact O-N 2.91Å; I268-E270 VanDerWaalsContact C-N 3.33Å; E270-K272 VanDerWaalsContact C-N 3.32Å; E270-K272 PolarHBondContact O-N 3.47Å; E270-R273 CarbonylContact O-C 3.49Å; E270-R273 WeakPolarHBondContact O-CB 3.36Å; E270-R273 PolarHBondContact O-N 3.18Å; E270-R273 VanDerWaalsContact O-N 3.16Å; E270-R273 WeakPolarHBondContact OE1-CD 3.36Å; E270-R273 IonicContact OE1-CZ 2.88Å; E270-R273 IonicContact OE1-NE 3.42Å; E270-R273 PolarHBondContact OE1-NE 3.01Å; E270-R273 IonicContact OE1-NH2 2.89Å; E270-R273 IonicContact OE2-CZ 3.27Å; E270-R273 IonicContact OE2-NE 3.25Å; E270-R273 PolarHBondContact OE2-NE 3.25Å; E270-R273 IonicContact OE2-NH2 3.77Å; E270-R273 PolarHBondContact OE2-NH2 3.36Å; E270-G274 PolarHBondContact O-N 3.39Å; E270-T288 WeakPolarHBondContact O-CG2 3.49Å
271	I	91.4	Very high	88.2	Confident	22 Å²	22	67.9 Å²	67.9	11%	0.113	31%	0.312	C	S	.	.	H	α-helix	trans	-60.1	-44.4	171.5	-68.8	168.5	0	0	0	110.3	F213 V235 V267 I268 R273 G274 K275	F213-I271 HydrophobicContact CD1-CG1 4.14Å; F213-I271 HydrophobicContact CD2-CG1 4.16Å; F213-I271 HydrophobicContact CE1-CB 4.45Å; F213-I271 HydrophobicContact CE1-CG1 3.67Å; F213-I271 HydrophobicContact CE2-CD1 4.13Å; F213-I271 HydrophobicContact CE2-CG1 3.68Å; F213-I271 HydrophobicContact CG-CG1 4.38Å; F213-I271 HydrophobicContact CZ-CD1 4.27Å; F213-I271 HydrophobicContact CZ-CG1 3.43Å; F213-I271 VanDerWaalsContact CZ-CG1 3.43Å; V235-I271 HydrophobicContact CG1-CD1 3.63Å; V267-I271 HydrophobicContact CG1-CD1 3.95Å; V267-I271 HydrophobicContact CG1-CG1 4.44Å; V267-I271 WeakPolarHBondContact O-CG1 3.3Å; V267-I271 PolarHBondContact O-N 3.45Å; I268-I271 PolarHBondContact O-N 3.32Å; I271-R273 VanDerWaalsContact C-N 3.32Å; I271-R273 PolarHBondContact O-N 3.21Å; I271-G274 PolarHBondContact O-N 3.25Å; I271-K275 PolarHBondContact O-N 3.17Å
272	K	91.4	Very high	89.4	Confident	125 Å²	125	65.3 Å²	65.3	54%	0.543	30%	0.302	S	S	.	.	H	α-helix	trans	-62.5	-37.7	175.4	-74.6	175.7	-178.7	-179.7	0	112	I268 Q269 E270	I268-K272 HydrophobicContact CG2-CD 4.31Å; I268-K272 WeakPolarHBondContact O-CB 3.31Å; I268-K272 WeakPolarHBondContact O-CG 3.33Å; I268-K272 PolarHBondContact O-N 3.47Å; Q269-K272 CarbonylContact O-C 3.57Å; Q269-K272 WeakPolarHBondContact O-CB 3.46Å; Q269-K272 PolarHBondContact O-N 3.29Å; E270-K272 VanDerWaalsContact C-N 3.32Å; E270-K272 PolarHBondContact O-N 3.47Å
273	R	92.7	Very high	90.3	Very high	66 Å²	66	69.8 Å²	69.8	25%	0.249	33%	0.329	C	S	.	.	H	α-helix	trans	-63.9	-45	172.5	-172.3	-178.8	66	84.7	-6.2	110.5	Q269 E270 I271 K275 R276 M277 T288	Q269-R273 PolarHBondContact O-N 3.42Å; E270-R273 CarbonylContact O-C 3.49Å; E270-R273 WeakPolarHBondContact O-CB 3.36Å; E270-R273 PolarHBondContact O-N 3.18Å; E270-R273 VanDerWaalsContact O-N 3.16Å; E270-R273 WeakPolarHBondContact OE1-CD 3.36Å; E270-R273 IonicContact OE1-CZ 2.88Å; E270-R273 IonicContact OE1-NE 3.42Å; E270-R273 PolarHBondContact OE1-NE 3.01Å; E270-R273 IonicContact OE1-NH2 2.89Å; E270-R273 IonicContact OE2-CZ 3.27Å; E270-R273 IonicContact OE2-NE 3.25Å; E270-R273 PolarHBondContact OE2-NE 3.25Å; E270-R273 IonicContact OE2-NH2 3.77Å; E270-R273 PolarHBondContact OE2-NH2 3.36Å; I271-R273 VanDerWaalsContact C-N 3.32Å; I271-R273 PolarHBondContact O-N 3.21Å; R273-K275 PolarHBondContact O-N 3.4Å; R273-K275 VanDerWaalsContact O-N 3.14Å; R273-R276 PolarHBondContact O-N 3.31Å; R273-M277 HydrophobicContact CG-CG 4.32Å; R273-M277 WeakPolarHBondContact O-CG 3.5Å; R273-T288 VanDerWaalsContact NH2-CB 3.31Å; R273-T288 PolarHBondContact NH2-O 2.96Å
274	G	92	Very high	91	Very high	0 Å²	0	72.7 Å²	72.7	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-53.9	-32.6	178.8	0	0	0	0	0	114	E270 I271 R276 M277 G286	E270-G274 PolarHBondContact O-N 3.39Å; I271-G274 PolarHBondContact O-N 3.25Å; G274-R276 PolarHBondContact O-N 2.94Å; G274-M277 PolarHBondContact O-N 2.94Å; G274-G286 VanDerWaalsContact O-CA 3.32Å; G274-G286 WeakPolarHBondContact O-CA 3.36Å; G274-G286 PolarHBondContact O-N 2.93Å
275	K	91.1	Very high	91.5	Very high	146 Å²	146	75.2 Å²	75.2	64%	0.635	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-17.6	173.8	-64.3	-176.4	-180	-174.4	0	114.3	I271 R273 L285	I271-K275 PolarHBondContact O-N 3.17Å; R273-K275 PolarHBondContact O-N 3.4Å; R273-K275 VanDerWaalsContact O-N 3.14Å; K275-L285 WeakPolarHBondContact O-CD1 3Å
276	R	91.6	Very high	92	Very high	206 Å²	206	68.7 Å²	68.7	78%	0.777	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.9	-6.2	177.7	-67.8	178.6	-88.9	-178	-5.1	113.5	R273 G274	R273-R276 PolarHBondContact O-N 3.31Å; G274-R276 PolarHBondContact O-N 2.94Å
277	M	91	Very high	92.5	Very high	61 Å²	61	67.6 Å²	67.6	30%	0.3	32%	0.32	S	S	.	.			trans	-106.3	117.9	-171.9	-56.6	-61.7	-63	0	0	110.7	R273 G274 L285 G286 A287 T299	R273-M277 HydrophobicContact CG-CG 4.32Å; R273-M277 WeakPolarHBondContact O-CG 3.5Å; G274-M277 PolarHBondContact O-N 2.94Å; M277-L285 CarbonylContact O-C 3.51Å; M277-L285 WeakPolarHBondContact O-CA 3.38Å; M277-G286 PolarHBondContact O-N 3.3Å; M277-G286 VanDerWaalsContact O-N 3.12Å; M277-A287 WeakPolarHBondContact CB-O 3.41Å; M277-A287 PolarHBondContact O-N 3.38Å; M277-T299 HydrophobicContact CE-CG2 4.15Å
278	K	95.8	Very high	92.8	Very high	144 Å²	144	67.7 Å²	67.7	63%	0.626	32%	0.32	S	S	*	.	B	Isolated β-bridge	trans	-89.7	133.7	178.2	-67.8	-177.2	180	-176.3	0	110.9	L285 T299	K278-L285 HydrophobicContact CG-CD2 3.7Å; K278-T299 WeakPolarHBondContact O-CG2 3.47Å
279	C	96.3	Very high	93.1	Very high	3 Å²	3	66.2 Å²	66.2	2%	0.02	31%	0.313	C	S	.	.			trans	-62.5	137.2	174.3	-171.9	0	0	0	0	111.3	L281 C282 T283 Q284 A287 C304	C279-L281 VanDerWaalsContact C-N 3.26Å; C279-L281 PolarHBondContact O-N 3.3Å; C279-L281 PolarHBondContact SG-N 3.07Å; C279-C282 WeakPolarHBondContact CB-SG 3.46Å; C279-C282 VanDerWaalsContact SG-SG 3.65Å; C279-T283 WeakPolarHBondContact O-CA 3.23Å; C279-T283 PolarHBondContact O-N 3.33Å; C279-Q284 WeakPolarHBondContact CB-O 3.5Å; C279-Q284 PolarHBondContact N-O 3.49Å; C279-A287 HydrophobicContact CB-CB 3.67Å; C279-C304 VanDerWaalsContact SG-CB 3.51Å
280	T	94.4	Very high	93.3	Very high	54 Å²	54	60.8 Å²	60.8	33%	0.331	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-31	176.6	-54.5	0	0	0	0	111.8	K298 T299 Y300	T280-K298 HydrophobicContact CG2-CG 4.11Å; T280-K298 WeakPolarHBondContact OG1-CA 3.38Å; T280-T299 WeakPolarHBondContact CB-O 3.22Å; T280-T299 PolarHBondContact N-O 2.89Å; T280-T299 PolarHBondContact OG1-N 3.24Å; T280-T299 PolarHBondContact OG1-O 2.96Å; T280-Y300 HydrophobicContact CG2-CE1 4.07Å
281	L	94	Very high	93.5	Very high	72 Å²	72	60.6 Å²	60.6	38%	0.377	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-60.9	-177.6	-172.6	67.1	0	0	0	111.9	C279 C304 Q307 D308	C279-L281 VanDerWaalsContact C-N 3.26Å; C279-L281 PolarHBondContact O-N 3.3Å; C279-L281 PolarHBondContact SG-N 3.07Å; L281-C304 HydrophobicContact CB-CB 4Å; L281-C304 HydrophobicContact CD2-CB 3.97Å; L281-C304 WeakPolarHBondContact CD2-O 3.15Å; L281-Q307 HydrophobicContact CD2-CB 3.63Å; L281-D308 HydrophobicContact CD1-CB 4.41Å
282	C	94.8	Very high	93.4	Very high	46 Å²	46	62.4 Å²	62.4	31%	0.311	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-4.8	-173.5	72.8	0	0	0	0	114.2	C279 Q284 H301	C279-C282 WeakPolarHBondContact CB-SG 3.46Å; C279-C282 VanDerWaalsContact SG-SG 3.65Å; C282-Q284 PolarHBondContact O-N 2.63Å; C282-H301 VanDerWaalsContact SG-CE1 3.53Å; C282-H301 PolarHBondContact SG-ND1 3.03Å; C282-H301 VanDerWaalsContact SG-ND1 3.37Å
283	T	93.3	Very high	93.2	Very high	95 Å²	95	58.1 Å²	58.1	58%	0.583	28%	0.282	S	S	*	.			trans	62.7	-2.5	-177.7	71.8	0	0	0	0	116.7	C279	C279-T283 WeakPolarHBondContact O-CA 3.23Å; C279-T283 PolarHBondContact O-N 3.33Å
284	Q	93.8	Very high	92.8	Very high	121 Å²	121	64.4 Å²	64.4	57%	0.565	31%	0.312	S	S	*	.			trans	-75.5	155.8	177.7	-56.6	-62.3	11.8	0	0	112.7	C279 C282	C279-Q284 WeakPolarHBondContact CB-O 3.5Å; C279-Q284 PolarHBondContact N-O 3.49Å; C282-Q284 PolarHBondContact O-N 2.63Å
285	L	94.2	Very high	92.4	Very high	76 Å²	76	68.9 Å²	68.9	40%	0.398	35%	0.349	S	S	.	.	B	Isolated β-bridge	trans	-73.6	158.1	179.3	-62.3	171.5	0	0	0	111.7	H215 K275 M277 K278 H301	H215-L285 PolarHBondContact NE2-O 3.27Å; K275-L285 WeakPolarHBondContact O-CD1 3Å; M277-L285 CarbonylContact O-C 3.51Å; M277-L285 WeakPolarHBondContact O-CA 3.38Å; K278-L285 HydrophobicContact CG-CD2 3.7Å; L285-H301 PolarHBondContact O-NE2 2.77Å; L285-H301 VanDerWaalsContact O-NE2 3.08Å
286	G	92.9	Very high	92.3	Very high	3 Å²	3	63.2 Å²	63.2	3%	0.031	33%	0.327	C	S	.	.			trans	99.4	5	178.5	0	0	0	0	0	114.4	F213 G274 M277 T288	F213-G286 CarbonylContact O-C 3.58Å; F213-G286 WeakPolarHBondContact O-CA 3.45Å; G274-G286 VanDerWaalsContact O-CA 3.32Å; G274-G286 WeakPolarHBondContact O-CA 3.36Å; G274-G286 PolarHBondContact O-N 2.93Å; M277-G286 PolarHBondContact O-N 3.3Å; M277-G286 VanDerWaalsContact O-N 3.12Å; G286-T288 PolarHBondContact O-N 3.23Å; G286-T288 VanDerWaalsContact O-N 3.09Å
287	A	94.9	Very high	92.2	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	33%	0.329	C	S	.	.			trans	-76.2	95	174.7	0	0	0	0	0	110.3	M277 C279 T299 Y300	M277-A287 WeakPolarHBondContact CB-O 3.41Å; M277-A287 PolarHBondContact O-N 3.38Å; C279-A287 HydrophobicContact CB-CB 3.67Å; A287-T299 HydrophobicContact CB-CG2 4.07Å; A287-T299 PolarHBondContact O-OG1 3.45Å; A287-Y300 CarbonylContact C-O 3.47Å; A287-Y300 WeakPolarHBondContact CA-O 3.06Å; A287-Y300 VanDerWaalsContact CB-C 3.42Å
288	T	94.4	Very high	92.4	Very high	2 Å²	2	58.9 Å²	58.9	1%	0.012	32%	0.323	C	S	.	.			trans	-101.7	-10.3	-177.6	53.8	0	0	0	0	113.3	F213 S245 S246 E270 R273 G286 G290	F213-T288 HydrophobicContact CD1-CG2 3.74Å; F213-T288 WeakPolarHBondContact CD1-OG1 3.31Å; F213-T288 HydrophobicContact CE1-CG2 3.82Å; F213-T288 WeakPolarHBondContact CE1-OG1 3.27Å; S245-T288 WeakPolarHBondContact OG-CB 3.07Å; S245-T288 PolarHBondContact OG-OG1 2.83Å; S246-T288 PolarHBondContact N-O 3.22Å; S246-T288 PolarHBondContact OG-O 3.32Å; E270-T288 WeakPolarHBondContact O-CG2 3.49Å; R273-T288 VanDerWaalsContact NH2-CB 3.31Å; R273-T288 PolarHBondContact NH2-O 2.96Å; G286-T288 PolarHBondContact O-N 3.23Å; G286-T288 VanDerWaalsContact O-N 3.09Å; T288-G290 PolarHBondContact O-N 3.23Å; T288-G290 VanDerWaalsContact O-N 3.16Å
289	I	95	Very high	92.4	Very high	3 Å²	3	52.5 Å²	52.5	2%	0.015	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	96.7	179.9	-54.1	173.7	0	0	0	107.9	F244 T299 Y300 Y302 Y312 L323	F244-I289 HydrophobicContact CB-CD1 3.81Å; F244-I289 HydrophobicContact CB-CG1 3.99Å; F244-I289 HydrophobicContact CB-CG2 3.94Å; F244-I289 WeakPolarHBondContact O-CG2 3.2Å; I289-T299 CarbonylContact O-C 3.59Å; I289-T299 VanDerWaalsContact O-CA 3.24Å; I289-T299 WeakPolarHBondContact O-CA 3.2Å; I289-T299 PolarHBondContact O-OG1 3.07Å; I289-T299 VanDerWaalsContact O-OG1 3.08Å; I289-Y300 WeakPolarHBondContact CB-O 3.5Å; I289-Y300 PolarHBondContact N-O 2.93Å; I289-Y300 PolarHBondContact O-N 3.23Å; I289-Y302 HydrophobicContact CD1-CD2 4.25Å; I289-Y302 HydrophobicContact CD1-CG 4.49Å; I289-Y312 HydrophobicContact CG2-CE1 4.38Å; I289-L323 HydrophobicContact CG2-CB 3.65Å; I289-L323 HydrophobicContact CG2-CD1 3.44Å; I289-L323 VanDerWaalsContact CG2-CD1 3.44Å; I289-L323 HydrophobicContact CG2-CG 4.08Å
290	G	94.1	Very high	92.4	Very high	15 Å²	15	52.3 Å²	52.3	16%	0.155	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	153.7	177	0	0	0	0	0	112.1	S246 T288	S246-G290 PolarHBondContact OG-N 3.13Å; T288-G290 PolarHBondContact O-N 3.23Å; T288-G290 VanDerWaalsContact O-N 3.16Å
291	C	93.7	Very high	92.5	Very high	12 Å²	12	50.1 Å²	50.1	8%	0.081	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-65.7	136.8	164.9	-176.5	0	0	0	0	110.2	I293 C296 K298 L323 C325 H328	C291-I293 PolarHBondContact O-N 2.79Å; C291-C296 HydrophobicContact CB-CB 3.82Å; C291-K298 PolarHBondContact N-O 3.34Å; C291-L323 CarbonylContact C-O 3.27Å; C291-L323 VanDerWaalsContact CA-O 3.26Å; C291-L323 WeakPolarHBondContact CA-O 3.32Å; C291-L323 HydrophobicContact CB-CD2 4.35Å; C291-C325 HydrophobicContact CB-CB 4.21Å; C291-C325 PolarHBondContact SG-N 3.04Å; C291-C325 VanDerWaalsContact SG-N 3.41Å; C291-H328 PolarHBondContact SG-ND1 3.03Å
292	E	91	Very high	92.5	Very high	61 Å²	61	47.3 Å²	47.3	29%	0.285	27%	0.265	S	S	.	.	S	Bend	trans	-58.5	-31.1	-178.1	-174.8	65	-174.6	0	0	113.7	K294 K322 L323 Y324	E292-K294 PolarHBondContact O-N 3.21Å; E292-K322 VanDerWaalsContact CD-CD 3.47Å; E292-K322 HydrophobicContact CG-CD 3.9Å; E292-K322 WeakPolarHBondContact OE1-CE 3.48Å; E292-K322 IonicContact OE1-NZ 3.55Å; E292-K322 PolarHBondContact OE1-NZ 2.89Å; E292-L323 PolarHBondContact N-O 2.77Å; E292-Y324 HydrophobicContact CB-CD1 4.41Å; E292-Y324 HydrophobicContact CB-CE1 3.94Å; E292-Y324 HydrophobicContact CB-CE2 4.11Å; E292-Y324 HydrophobicContact CG-CE1 4.33Å
293	I	86.4	Confident	92.5	Very high	35 Å²	35	46.5 Å²	46.5	18%	0.179	26%	0.257	C	S	.	.	S	Bend	trans	-66.1	109.1	177.5	-56.6	-55.6	0	0	0	109.3	C291 A295 C296 Y324 H328	C291-I293 PolarHBondContact O-N 2.79Å; I293-A295 PolarHBondContact O-N 3.33Å; I293-C296 HydrophobicContact CB-CB 4.1Å; I293-C296 HydrophobicContact CG2-CB 4.42Å; I293-C296 WeakPolarHBondContact O-CA 3.42Å; I293-C296 WeakPolarHBondContact O-CB 3.42Å; I293-C296 PolarHBondContact O-N 2.84Å; I293-Y324 HydrophobicContact CD1-CE1 4.25Å; I293-H328 HydrophobicContact CG1-CB 3.95Å; I293-H328 WeakPolarHBondContact CG1-ND1 3.32Å
294	K	83.8	Confident	92.6	Very high	198 Å²	198	42 Å²	42	86%	0.861	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-29	-175.8	-64.4	179.6	-179.1	172.7	0	115.5	E292 C296	E292-K294 PolarHBondContact O-N 3.21Å; K294-C296 VanDerWaalsContact C-N 3.31Å
295	A	84.6	Confident	92.6	Very high	94 Å²	94	36.2 Å²	36.2	78%	0.777	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-10.6	176.6	0	0	0	0	0	113.3	I293	I293-A295 PolarHBondContact O-N 3.33Å
296	C	88.3	Confident	92.6	Very high	26 Å²	26	36.1 Å²	36.1	18%	0.176	20%	0.202	C	C	.	.			trans	-81.5	129.5	178.4	-160.2	0	0	0	0	110.3	C291 I293 K294 K298 H328	C291-C296 HydrophobicContact CB-CB 3.82Å; I293-C296 HydrophobicContact CB-CB 4.1Å; I293-C296 HydrophobicContact CG2-CB 4.42Å; I293-C296 WeakPolarHBondContact O-CA 3.42Å; I293-C296 WeakPolarHBondContact O-CB 3.42Å; I293-C296 PolarHBondContact O-N 2.84Å; K294-C296 VanDerWaalsContact C-N 3.31Å; C296-K298 VanDerWaalsContact C-N 3.35Å; C296-H328 VanDerWaalsContact SG-CE1 3.57Å
297	V	90.6	Very high	92.6	Very high	137 Å²	137	42 Å²	42	83%	0.83	23%	0.229	S	C	*	.			trans	-92.1	-0.3	175.6	-61	0	0	0	0	112.8	T299	V297-T299 PolarHBondContact O-N 3.42Å
298	K	93.7	Very high	92.5	Very high	40 Å²	40	43 Å²	43	17%	0.174	23%	0.234	C	C	.	.			trans	-74	122.2	-175.6	-68.9	176.2	165.1	-71.7	0	109.7	T280 C291 C296 Y300 C325	T280-K298 HydrophobicContact CG2-CG 4.11Å; T280-K298 WeakPolarHBondContact OG1-CA 3.38Å; C291-K298 PolarHBondContact N-O 3.34Å; C296-K298 VanDerWaalsContact C-N 3.35Å; K298-Y300 HydrophobicContact CB-CE2 3.73Å; K298-C325 HydrophobicContact CB-CB 4.16Å; K298-C325 HydrophobicContact CD-CB 3.64Å; K298-C325 VanDerWaalsContact CD-SG 3.52Å
299	T	95.5	Very high	92.4	Very high	9 Å²	9	51.1 Å²	51.1	6%	0.055	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	150	173.9	-171.1	0	0	0	0	110.5	M277 K278 T280 A287 I289 V297	M277-T299 HydrophobicContact CE-CG2 4.15Å; K278-T299 WeakPolarHBondContact O-CG2 3.47Å; T280-T299 WeakPolarHBondContact CB-O 3.22Å; T280-T299 PolarHBondContact N-O 2.89Å; T280-T299 PolarHBondContact OG1-N 3.24Å; T280-T299 PolarHBondContact OG1-O 2.96Å; A287-T299 HydrophobicContact CB-CG2 4.07Å; A287-T299 PolarHBondContact O-OG1 3.45Å; I289-T299 CarbonylContact O-C 3.59Å; I289-T299 VanDerWaalsContact O-CA 3.24Å; I289-T299 WeakPolarHBondContact O-CA 3.2Å; I289-T299 PolarHBondContact O-OG1 3.07Å; I289-T299 VanDerWaalsContact O-OG1 3.08Å; V297-T299 PolarHBondContact O-N 3.42Å
300	Y	96.6	Very high	92.3	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	157.3	-169.9	-59.4	-87.3	0	0	0	111.7	T280 A287 I289 K298 C304 D308 L323 C325	T280-Y300 HydrophobicContact CG2-CE1 4.07Å; A287-Y300 CarbonylContact C-O 3.47Å; A287-Y300 WeakPolarHBondContact CA-O 3.06Å; A287-Y300 VanDerWaalsContact CB-C 3.42Å; I289-Y300 WeakPolarHBondContact CB-O 3.5Å; I289-Y300 PolarHBondContact N-O 2.93Å; I289-Y300 PolarHBondContact O-N 3.23Å; K298-Y300 HydrophobicContact CB-CE2 3.73Å; Y300-C304 HydrophobicContact CD1-CB 4.42Å; Y300-D308 HydrophobicContact CD1-CB 4.38Å; Y300-D308 HydrophobicContact CE1-CB 3.69Å; Y300-D308 WeakPolarHBondContact CE1-OD2 3.46Å; Y300-D308 VanDerWaalsContact CZ-OD2 3.27Å; Y300-D308 PolarHBondContact OH-OD2 3.13Å; Y300-L323 HydrophobicContact CD2-CD1 4.25Å; Y300-L323 HydrophobicContact CD2-CD2 3.96Å; Y300-L323 HydrophobicContact CE2-CD2 4.19Å; Y300-C325 HydrophobicContact CE2-CB 3.98Å
301	H	96.3	Very high	92.2	Very high	8 Å²	8	53.8 Å²	53.8	4%	0.037	28%	0.279	C	S	.	.			trans	-74.6	159.7	149.7	-56.8	107.7	0	0	0	109.3	F213 C282 L285 H303 C304 G305	F213-H301 PolarHBondContact O-CD2 3.15Å; F213-H301 PolarHBondContact O-NE2 3.45Å; C282-H301 VanDerWaalsContact SG-CE1 3.53Å; C282-H301 PolarHBondContact SG-ND1 3.03Å; C282-H301 VanDerWaalsContact SG-ND1 3.37Å; L285-H301 PolarHBondContact O-NE2 2.77Å; L285-H301 VanDerWaalsContact O-NE2 3.08Å; H301-H303 PolarHBondContact O-N 3.49Å; H301-C304 HydrophobicContact CB-CB 4.04Å; H301-C304 WeakPolarHBondContact O-CB 3.42Å; H301-C304 PolarHBondContact O-N 3.14Å; H301-C304 VanDerWaalsContact O-N 3.15Å; H301-G305 PolarHBondContact O-N 3.06Å
302	Y	94.8	Very high	92.1	Very high	12 Å²	12	55 Å²	55	5%	0.047	28%	0.282	C	S	.	.	H	α-helix	trans	-55.5	-54	-177.7	178.1	-97.7	0	0	0	112.6	M223 R224 K240 F244 I289 C304 G305 L306 Y312	M223-Y302 VanDerWaalsContact O-CE1 3.24Å; M223-Y302 WeakPolarHBondContact O-CE1 3.46Å; R224-Y302 HydrophobicContact CB-CD1 4.49Å; R224-Y302 HydrophobicContact CG-CD1 4.32Å; K240-Y302 HydrophobicContact CB-CD1 4.17Å; K240-Y302 HydrophobicContact CB-CD2 3.82Å; K240-Y302 HydrophobicContact CB-CE1 4.09Å; K240-Y302 HydrophobicContact CB-CE2 3.73Å; K240-Y302 HydrophobicContact CB-CG 4.05Å; K240-Y302 HydrophobicContact CD-CE1 3.69Å; K240-Y302 HydrophobicContact CD-CE2 3.99Å; K240-Y302 VanDerWaalsContact CD-OH 3.26Å; K240-Y302 WeakPolarHBondContact CD-OH 3.31Å; K240-Y302 HydrophobicContact CG-CE2 4.45Å; F244-Y302 AromaticContact CD2-CD2 3.85Å; F244-Y302 HydrophobicContact CD2-CD2 3.85Å; F244-Y302 AromaticContact CD2-CE2 3.74Å; F244-Y302 HydrophobicContact CD2-CE2 3.74Å; F244-Y302 HydrophobicContact CE2-CD2 4.34Å; F244-Y302 AromaticContact CE2-CE2 3.75Å; F244-Y302 HydrophobicContact CE2-CE2 3.75Å; I289-Y302 HydrophobicContact CD1-CD2 4.25Å; I289-Y302 HydrophobicContact CD1-CG 4.49Å; Y302-C304 VanDerWaalsContact C-N 3.33Å; Y302-C304 PolarHBondContact O-N 3.15Å; Y302-G305 PolarHBondContact O-N 2.67Å; Y302-L306 HydrophobicContact CD1-CD1 4.26Å; Y302-L306 HydrophobicContact CE1-CD1 3.59Å; Y302-L306 HydrophobicContact CE1-CG 4.42Å; Y302-L306 PolarHBondContact O-N 2.95Å; Y302-Y312 WeakPolarHBondContact CA-OH 3.14Å; Y302-Y312 AromaticContact CD2-CE1 3.72Å; Y302-Y312 HydrophobicContact CD2-CE1 3.72Å; Y302-Y312 AromaticContact CD2-CZ 3.89Å; Y302-Y312 HydrophobicContact CE2-CD1 4.2Å; Y302-Y312 AromaticContact CE2-CE1 3.79Å; Y302-Y312 HydrophobicContact CE2-CE1 3.79Å; Y302-Y312 AromaticContact CE2-CZ 3.99Å; Y302-Y312 PolarHBondContact O-OH 3.48Å
303	H	94.9	Very high	91.9	Very high	29 Å²	29	54.1 Å²	54.1	13%	0.134	28%	0.279	C	S	.	.	H	α-helix	trans	-63.7	-37	178	73.4	-84.8	0	0	0	112.5	M223 H301 G305 L306 Q307	M223-H303 HydrophobicContact SD-CB 3.87Å; H301-H303 PolarHBondContact O-N 3.49Å; H303-G305 VanDerWaalsContact C-N 3.31Å; H303-G305 PolarHBondContact O-N 3.08Å; H303-L306 WeakPolarHBondContact O-CB 3.13Å; H303-L306 PolarHBondContact O-N 2.76Å; H303-Q307 WeakPolarHBondContact O-CG 3.5Å; H303-Q307 PolarHBondContact O-N 3.34Å
304	C	95.8	Very high	91.9	Very high	1 Å²	1	58 Å²	58	1%	0.007	30%	0.296	C	S	.	.	H	α-helix	trans	-63.5	-37.2	176.9	-76.5	0	0	0	0	112	C279 L281 Y300 H301 Y302 L306 Q307 D308	C279-C304 VanDerWaalsContact SG-CB 3.51Å; L281-C304 HydrophobicContact CB-CB 4Å; L281-C304 HydrophobicContact CD2-CB 3.97Å; L281-C304 WeakPolarHBondContact CD2-O 3.15Å; Y300-C304 HydrophobicContact CD1-CB 4.42Å; H301-C304 HydrophobicContact CB-CB 4.04Å; H301-C304 WeakPolarHBondContact O-CB 3.42Å; H301-C304 PolarHBondContact O-N 3.14Å; H301-C304 VanDerWaalsContact O-N 3.15Å; Y302-C304 VanDerWaalsContact C-N 3.33Å; Y302-C304 PolarHBondContact O-N 3.15Å; C304-L306 VanDerWaalsContact C-N 3.35Å; C304-Q307 PolarHBondContact O-N 3.49Å; C304-D308 WeakPolarHBondContact O-CB 3.35Å; C304-D308 PolarHBondContact O-N 3.16Å
305	G	94.3	Very high	91.7	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-63.8	-41.7	175.1	0	0	0	0	0	111.5	H301 Y302 H303 D308 K309 A310	H301-G305 PolarHBondContact O-N 3.06Å; Y302-G305 PolarHBondContact O-N 2.67Å; H303-G305 VanDerWaalsContact C-N 3.31Å; H303-G305 PolarHBondContact O-N 3.08Å; G305-D308 PolarHBondContact O-N 2.91Å; G305-K309 PolarHBondContact O-N 3.26Å; G305-A310 VanDerWaalsContact O-CB 3.24Å; G305-A310 WeakPolarHBondContact O-CB 3.42Å; G305-A310 PolarHBondContact O-N 3.24Å
306	L	92.7	Very high	91.2	Very high	73 Å²	73	54.3 Å²	54.3	38%	0.382	27%	0.27	S	S	.	.	H	α-helix	trans	-61.9	-46.5	175.2	-64.8	173.5	0	0	0	111.4	M223 Y302 H303 C304 D308 K309 Y312	M223-L306 HydrophobicContact CG-CD1 4.31Å; Y302-L306 HydrophobicContact CD1-CD1 4.26Å; Y302-L306 HydrophobicContact CE1-CD1 3.59Å; Y302-L306 HydrophobicContact CE1-CG 4.42Å; Y302-L306 PolarHBondContact O-N 2.95Å; H303-L306 WeakPolarHBondContact O-CB 3.13Å; H303-L306 PolarHBondContact O-N 2.76Å; C304-L306 VanDerWaalsContact C-N 3.35Å; L306-D308 PolarHBondContact O-N 3.39Å; L306-K309 PolarHBondContact O-N 3.12Å; L306-Y312 HydrophobicContact CD2-CD2 3.71Å; L306-Y312 HydrophobicContact CD2-CE2 3.51Å; L306-Y312 HydrophobicContact CG-CE2 3.86Å
307	Q	93.8	Very high	90.3	Very high	127 Å²	127	57.9 Å²	57.9	59%	0.593	30%	0.301	S	S	*	.	H	α-helix	trans	-63.3	-39.4	178	-71.5	173.8	-4	0	0	112.7	L281 H303 C304 K309	L281-Q307 HydrophobicContact CD2-CB 3.63Å; H303-Q307 WeakPolarHBondContact O-CG 3.5Å; H303-Q307 PolarHBondContact O-N 3.34Å; C304-Q307 PolarHBondContact O-N 3.49Å; Q307-K309 PolarHBondContact O-N 3.09Å
308	D	92.8	Very high	89.3	Confident	20 Å²	20	57.5 Å²	57.5	11%	0.107	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	10	175.6	-160.4	38	0	0	0	112.9	L281 Y300 C304 G305 L306 A310 K326	L281-D308 HydrophobicContact CD1-CB 4.41Å; Y300-D308 HydrophobicContact CD1-CB 4.38Å; Y300-D308 HydrophobicContact CE1-CB 3.69Å; Y300-D308 WeakPolarHBondContact CE1-OD2 3.46Å; Y300-D308 VanDerWaalsContact CZ-OD2 3.27Å; Y300-D308 PolarHBondContact OH-OD2 3.13Å; C304-D308 WeakPolarHBondContact O-CB 3.35Å; C304-D308 PolarHBondContact O-N 3.16Å; G305-D308 PolarHBondContact O-N 2.91Å; L306-D308 PolarHBondContact O-N 3.39Å; D308-A310 PolarHBondContact O-N 3.39Å; D308-K326 WeakPolarHBondContact O-CD 3.44Å; D308-K326 WeakPolarHBondContact OD1-CE 3.46Å; D308-K326 IonicContact OD1-NZ 3.71Å; D308-K326 PolarHBondContact OD1-NZ 3.05Å; D308-K326 IonicContact OD2-NZ 3.6Å
309	K	92.3	Very high	88.3	Confident	173 Å²	173	57 Å²	57	75%	0.752	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	37.3	-179.6	-53.5	-177.4	-179.4	-176.7	0	113	G305 L306 Q307	G305-K309 PolarHBondContact O-N 3.26Å; L306-K309 PolarHBondContact O-N 3.12Å; Q307-K309 PolarHBondContact O-N 3.09Å
310	A	92.6	Very high	87.5	Confident	12 Å²	12	57.8 Å²	57.8	10%	0.099	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-70.2	147.2	167	0	0	0	0	0	109.9	G305 D308 L323 Y324	G305-A310 VanDerWaalsContact O-CB 3.24Å; G305-A310 WeakPolarHBondContact O-CB 3.42Å; G305-A310 PolarHBondContact O-N 3.24Å; D308-A310 PolarHBondContact O-N 3.39Å; A310-L323 HydrophobicContact CB-CD1 3.88Å; A310-L323 HydrophobicContact CB-CD2 4.02Å; A310-L323 HydrophobicContact CB-CG 3.97Å; A310-Y324 CarbonylContact C-O 3.49Å; A310-Y324 WeakPolarHBondContact CA-O 3.21Å
311	K	92.8	Very high	87	Confident	63 Å²	63	59.6 Å²	59.6	27%	0.274	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	125.3	177.4	-174.7	179.3	-175.9	-179.1	0	109.6	L323 Y324 S329 E332	K311-L323 WeakPolarHBondContact O-CA 3.41Å; K311-Y324 PolarHBondContact N-O 3.12Å; K311-Y324 PolarHBondContact O-N 3.05Å; K311-S329 WeakPolarHBondContact CD-O 3.41Å; K311-E332 VanDerWaalsContact NZ-CG 3.28Å; K311-E332 IonicContact NZ-OE1 3.45Å; K311-E332 PolarHBondContact NZ-OE1 2.97Å; K311-E332 IonicContact NZ-OE2 3.82Å
312	Y	90.4	Very high	86.7	Confident	36 Å²	36	60.8 Å²	60.8	14%	0.141	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	132.9	173.2	-70.2	-92.3	0	0	0	108.8	F244 I289 Y302 L306 L323	F244-Y312 HydrophobicContact CB-CE1 4.33Å; F244-Y312 AromaticContact CD1-CD1 3.64Å; F244-Y312 HydrophobicContact CD1-CD1 3.64Å; F244-Y312 HydrophobicContact CD1-CE1 4.2Å; F244-Y312 AromaticContact CD2-CD1 3.88Å; F244-Y312 HydrophobicContact CD2-CD1 3.88Å; F244-Y312 HydrophobicContact CD2-CE1 4.03Å; F244-Y312 AromaticContact CE1-CD1 3.54Å; F244-Y312 HydrophobicContact CE1-CD1 3.54Å; F244-Y312 HydrophobicContact CE1-CE1 4.47Å; F244-Y312 HydrophobicContact CE1-CG 4.3Å; F244-Y312 AromaticContact CE2-CD1 3.76Å; F244-Y312 HydrophobicContact CE2-CD1 3.76Å; F244-Y312 HydrophobicContact CE2-CE1 4.31Å; F244-Y312 AromaticContact CG-CD1 3.78Å; F244-Y312 HydrophobicContact CG-CD1 3.78Å; F244-Y312 AromaticContact CG-CE1 3.93Å; F244-Y312 HydrophobicContact CG-CE1 3.93Å; F244-Y312 AromaticContact CZ-CD1 3.55Å; F244-Y312 HydrophobicContact CZ-CD1 3.55Å; F244-Y312 HydrophobicContact CZ-CE1 4.48Å; F244-Y312 HydrophobicContact CZ-CG 4.13Å; I289-Y312 HydrophobicContact CG2-CE1 4.38Å; Y302-Y312 WeakPolarHBondContact CA-OH 3.14Å; Y302-Y312 AromaticContact CD2-CE1 3.72Å; Y302-Y312 HydrophobicContact CD2-CE1 3.72Å; Y302-Y312 AromaticContact CD2-CZ 3.89Å; Y302-Y312 HydrophobicContact CE2-CD1 4.2Å; Y302-Y312 AromaticContact CE2-CE1 3.79Å; Y302-Y312 HydrophobicContact CE2-CE1 3.79Å; Y302-Y312 AromaticContact CE2-CZ 3.99Å; Y302-Y312 PolarHBondContact O-OH 3.48Å; L306-Y312 HydrophobicContact CD2-CD2 3.71Å; L306-Y312 HydrophobicContact CD2-CE2 3.51Å; L306-Y312 HydrophobicContact CG-CE2 3.86Å; Y312-L323 HydrophobicContact CD1-CB 4.4Å; Y312-L323 HydrophobicContact CD1-CD1 4.26Å; Y312-L323 HydrophobicContact CE1-CB 4.35Å; Y312-L323 HydrophobicContact CE1-CD1 3.55Å; Y312-L323 HydrophobicContact CE1-CG 4.32Å; Y312-L323 HydrophobicContact CE2-CD1 4.07Å; Y312-L323 VanDerWaalsContact CZ-CD1 3.44Å; Y312-L323 WeakPolarHBondContact OH-CD1 3.41Å
313	I	87.4	Confident	86.6	Confident	44 Å²	44	60.3 Å²	60.3	23%	0.226	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	122.6	173.1	-57	-168.3	0	0	0	107.3	Y321 K322 Y324	I313-Y321 WeakPolarHBondContact O-CA 3.31Å; I313-K322 PolarHBondContact N-O 3.38Å; I313-K322 PolarHBondContact O-N 3.44Å; I313-Y324 HydrophobicContact CD1-CD2 3.72Å; I313-Y324 HydrophobicContact CD1-CE2 3.38Å; I313-Y324 HydrophobicContact CG1-CD2 3.97Å; I313-Y324 HydrophobicContact CG1-CE2 3.96Å
314	E	86.2	Confident	86.4	Confident	115 Å²	115	59.3 Å²	59.3	54%	0.537	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	116.4	178.2	-63.3	-177.1	-159.5	0	0	108.7	F244 Y321	F244-E314 HydrophobicContact CE1-CG 4.07Å; F244-E314 HydrophobicContact CE2-CG 4.36Å; F244-E314 HydrophobicContact CZ-CG 3.41Å; F244-E314 VanDerWaalsContact CZ-CG 3.41Å; F244-E314 VanDerWaalsContact CZ-OE1 3.31Å; F244-E314 WeakPolarHBondContact CZ-OE1 3.47Å; E314-Y321 HydrophobicContact CB-CD1 4.31Å; E314-Y321 HydrophobicContact CB-CE1 4.26Å; E314-Y321 HydrophobicContact CG-CD1 4.11Å; E314-Y321 HydrophobicContact CG-CE1 4.37Å
315	N	78.5	Confident	86.3	Confident	55 Å²	55	59.2 Å²	59.2	29%	0.294	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	95	170.5	-170.2	-35.1	0	0	0	108.9	A317 R318 G319 I320	N315-A317 VanDerWaalsContact C-N 3.32Å; N315-A317 PolarHBondContact O-N 3.01Å; N315-A317 PolarHBondContact OD1-N 3.37Å; N315-R318 HydrophobicContact CB-CB 4.46Å; N315-R318 PolarHBondContact O-N 3.08Å; N315-R318 PolarHBondContact OD1-N 2.88Å; N315-R318 VanDerWaalsContact OD1-N 3.08Å; N315-G319 WeakPolarHBondContact O-CA 3.37Å; N315-G319 PolarHBondContact O-N 3.38Å; N315-I320 HydrophobicContact CB-CB 4.04Å; N315-I320 PolarHBondContact N-O 2.78Å; N315-I320 PolarHBondContact O-N 2.92Å
316	M	74.6	Confident	86.1	Confident	161 Å²	161	64 Å²	64	79%	0.793	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-33.8	-177.1	-169.5	172.7	175.3	0	0	112.7	R318	M316-R318 VanDerWaalsContact C-N 3.32Å; M316-R318 PolarHBondContact O-N 3.36Å
317	A	70.1	Confident	85.8	Confident	101 Å²	101	63.5 Å²	63.5	84%	0.835	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-33.2	178.9	0	0	0	0	0	112.4	N315	N315-A317 VanDerWaalsContact C-N 3.32Å; N315-A317 PolarHBondContact O-N 3.01Å; N315-A317 PolarHBondContact OD1-N 3.37Å
318	R	70.1	Confident	85.4	Confident	129 Å²	129	58.8 Å²	58.8	49%	0.487	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-4	-179.1	-59.6	-179.8	81.8	-172.6	0.1	113.5	N315 M316 I320 E339	N315-R318 HydrophobicContact CB-CB 4.46Å; N315-R318 PolarHBondContact O-N 3.08Å; N315-R318 PolarHBondContact OD1-N 2.88Å; N315-R318 VanDerWaalsContact OD1-N 3.08Å; M316-R318 VanDerWaalsContact C-N 3.32Å; M316-R318 PolarHBondContact O-N 3.36Å; R318-I320 VanDerWaalsContact C-N 3.28Å; R318-I320 HydrophobicContact CB-CD1 3.71Å; R318-I320 HydrophobicContact CB-CG1 3.8Å; R318-I320 PolarHBondContact O-N 2.97Å; R318-E339 IonicContact CZ-OE2 3.24Å; R318-E339 IonicContact NH1-OE2 2.76Å; R318-E339 PolarHBondContact NH1-OE2 3.02Å; R318-E339 IonicContact NH2-OE2 3.78Å
319	G	72.3	Confident	84.7	Confident	29 Å²	29	60 Å²	60	30%	0.299	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.9	31	-175	0	0	0	0	0	113.5	N315	N315-G319 WeakPolarHBondContact O-CA 3.37Å; N315-G319 PolarHBondContact O-N 3.38Å
320	I	78.4	Confident	83.5	Confident	26 Å²	26	55.3 Å²	55.3	13%	0.133	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	119.8	-177.3	-56.1	170.8	0	0	0	109.2	N315 R318 K322	N315-I320 HydrophobicContact CB-CB 4.04Å; N315-I320 PolarHBondContact N-O 2.78Å; N315-I320 PolarHBondContact O-N 2.92Å; R318-I320 VanDerWaalsContact C-N 3.28Å; R318-I320 HydrophobicContact CB-CD1 3.71Å; R318-I320 HydrophobicContact CB-CG1 3.8Å; R318-I320 PolarHBondContact O-N 2.97Å; I320-K322 HydrophobicContact CG2-CD 3.72Å; I320-K322 HydrophobicContact CG2-CG 3.8Å
321	Y	86.5	Confident	81.8	Confident	37 Å²	37	57.5 Å²	57.5	15%	0.145	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	102.9	178	-60.1	-84	0	0	0	108.6	L243 F244 Q250 I313 E314	L243-Y321 HydrophobicContact CD1-CD1 3.69Å; L243-Y321 HydrophobicContact CD1-CD2 3.71Å; L243-Y321 HydrophobicContact CD1-CE1 3.72Å; L243-Y321 HydrophobicContact CD1-CE2 3.77Å; L243-Y321 HydrophobicContact CD1-CG 3.66Å; L243-Y321 HydrophobicContact CD2-CD1 3.55Å; L243-Y321 HydrophobicContact CD2-CE1 3.62Å; L243-Y321 HydrophobicContact CD2-CG 4.28Å; L243-Y321 HydrophobicContact CG-CD1 3.48Å; L243-Y321 VanDerWaalsContact CG-CD1 3.48Å; L243-Y321 HydrophobicContact CG-CD2 4.26Å; L243-Y321 HydrophobicContact CG-CE1 3.86Å; L243-Y321 HydrophobicContact CG-CG 3.67Å; L243-Y321 WeakPolarHBondContact O-CB 3.47Å; F244-Y321 HydrophobicContact CE1-CD1 4.39Å; F244-Y321 HydrophobicContact CZ-CD1 4.44Å; Q250-Y321 PolarHBondContact OE1-OH 2.88Å; I313-Y321 WeakPolarHBondContact O-CA 3.31Å; E314-Y321 HydrophobicContact CB-CD1 4.31Å; E314-Y321 HydrophobicContact CB-CE1 4.26Å; E314-Y321 HydrophobicContact CG-CD1 4.11Å; E314-Y321 HydrophobicContact CG-CE1 4.37Å
322	K	88.8	Confident	80	Confident	34 Å²	34	60.3 Å²	60.3	15%	0.148	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	150.7	-171.5	-65.4	-179.5	174.9	-159.3	0	111.1	E292 I313 I320 Y324 E342	E292-K322 VanDerWaalsContact CD-CD 3.47Å; E292-K322 HydrophobicContact CG-CD 3.9Å; E292-K322 WeakPolarHBondContact OE1-CE 3.48Å; E292-K322 IonicContact OE1-NZ 3.55Å; E292-K322 PolarHBondContact OE1-NZ 2.89Å; I313-K322 PolarHBondContact N-O 3.38Å; I313-K322 PolarHBondContact O-N 3.44Å; I320-K322 HydrophobicContact CG2-CD 3.72Å; I320-K322 HydrophobicContact CG2-CG 3.8Å; K322-Y324 HydrophobicContact CB-CE2 3.95Å; K322-E342 IonicContact NZ-OE2 2.74Å
323	L	92.4	Very high	78.1	Confident	2 Å²	2	67.1 Å²	67.1	1%	0.01	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	132.7	172.2	179.8	151.5	0	0	0	110.2	I289 C291 E292 Y300 A310 K311 Y312	I289-L323 HydrophobicContact CG2-CB 3.65Å; I289-L323 HydrophobicContact CG2-CD1 3.44Å; I289-L323 VanDerWaalsContact CG2-CD1 3.44Å; I289-L323 HydrophobicContact CG2-CG 4.08Å; C291-L323 CarbonylContact C-O 3.27Å; C291-L323 VanDerWaalsContact CA-O 3.26Å; C291-L323 WeakPolarHBondContact CA-O 3.32Å; C291-L323 HydrophobicContact CB-CD2 4.35Å; E292-L323 PolarHBondContact N-O 2.77Å; Y300-L323 HydrophobicContact CD2-CD1 4.25Å; Y300-L323 HydrophobicContact CD2-CD2 3.96Å; Y300-L323 HydrophobicContact CE2-CD2 4.19Å; A310-L323 HydrophobicContact CB-CD1 3.88Å; A310-L323 HydrophobicContact CB-CD2 4.02Å; A310-L323 HydrophobicContact CB-CG 3.97Å; K311-L323 WeakPolarHBondContact O-CA 3.41Å; Y312-L323 HydrophobicContact CD1-CB 4.4Å; Y312-L323 HydrophobicContact CD1-CD1 4.26Å; Y312-L323 HydrophobicContact CE1-CB 4.35Å; Y312-L323 HydrophobicContact CE1-CD1 3.55Å; Y312-L323 HydrophobicContact CE1-CG 4.32Å; Y312-L323 HydrophobicContact CE2-CD1 4.07Å; Y312-L323 VanDerWaalsContact CZ-CD1 3.44Å; Y312-L323 WeakPolarHBondContact OH-CD1 3.41Å
324	Y	92	Very high	76.3	Confident	7 Å²	7	69.2 Å²	69.2	3%	0.027	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	118.5	168.3	-66.2	-101.7	0	0	0	108.4	E292 I293 A310 K311 I313 K322 H328 D335	E292-Y324 HydrophobicContact CB-CD1 4.41Å; E292-Y324 HydrophobicContact CB-CE1 3.94Å; E292-Y324 HydrophobicContact CB-CE2 4.11Å; E292-Y324 HydrophobicContact CG-CE1 4.33Å; I293-Y324 HydrophobicContact CD1-CE1 4.25Å; A310-Y324 CarbonylContact C-O 3.49Å; A310-Y324 WeakPolarHBondContact CA-O 3.21Å; K311-Y324 PolarHBondContact N-O 3.12Å; K311-Y324 PolarHBondContact O-N 3.05Å; I313-Y324 HydrophobicContact CD1-CD2 3.72Å; I313-Y324 HydrophobicContact CD1-CE2 3.38Å; I313-Y324 HydrophobicContact CG1-CD2 3.97Å; I313-Y324 HydrophobicContact CG1-CE2 3.96Å; K322-Y324 HydrophobicContact CB-CE2 3.95Å; Y324-H328 HydrophobicContact CD1-CB 4.4Å; Y324-D335 VanDerWaalsContact CZ-OD1 3.31Å; Y324-D335 PolarHBondContact OH-OD1 2.99Å; Y324-D335 PolarHBondContact OH-OD2 3.26Å
325	C	92.8	Very high	74.8	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	35%	0.349	C	S	.	.			trans	-61.6	165	178.1	73.5	0	0	0	0	111.2	C291 K298 Y300 N327 H328 S329	C291-C325 HydrophobicContact CB-CB 4.21Å; C291-C325 PolarHBondContact SG-N 3.04Å; C291-C325 VanDerWaalsContact SG-N 3.41Å; K298-C325 HydrophobicContact CB-CB 4.16Å; K298-C325 HydrophobicContact CD-CB 3.64Å; K298-C325 VanDerWaalsContact CD-SG 3.52Å; Y300-C325 HydrophobicContact CE2-CB 3.98Å; C325-N327 PolarHBondContact O-N 3.02Å; C325-H328 CarbonylContact O-C 3.25Å; C325-H328 WeakPolarHBondContact O-CA 3.49Å; C325-H328 PolarHBondContact O-N 3.39Å; C325-S329 PolarHBondContact O-N 3.44Å
326	K	89.8	Confident	73.7	Confident	101 Å²	101	69.2 Å²	69.2	44%	0.439	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-22.3	177.8	65.7	179.9	176.1	-165	0	115.5	D308 S329	D308-K326 WeakPolarHBondContact O-CD 3.44Å; D308-K326 WeakPolarHBondContact OD1-CE 3.46Å; D308-K326 IonicContact OD1-NZ 3.71Å; D308-K326 PolarHBondContact OD1-NZ 3.05Å; D308-K326 IonicContact OD2-NZ 3.6Å; K326-S329 PolarHBondContact O-OG 3.16Å
327	N	87.1	Confident	72.7	Confident	62 Å²	62	68.1 Å²	68.1	33%	0.332	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-14.3	176.7	-63.4	5	0	0	0	112.8	C325	C325-N327 PolarHBondContact O-N 3.02Å
328	H	86.2	Confident	72	Confident	28 Å²	28	65.7 Å²	65.7	13%	0.13	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.2	8.4	-174.4	-62.1	152.5	0	0	0	113.3	C291 I293 C296 Y324 C325 G330	C291-H328 PolarHBondContact SG-ND1 3.03Å; I293-H328 HydrophobicContact CG1-CB 3.95Å; I293-H328 WeakPolarHBondContact CG1-ND1 3.32Å; C296-H328 VanDerWaalsContact SG-CE1 3.57Å; Y324-H328 HydrophobicContact CD1-CB 4.4Å; C325-H328 CarbonylContact O-C 3.25Å; C325-H328 WeakPolarHBondContact O-CA 3.49Å; C325-H328 PolarHBondContact O-N 3.39Å; H328-G330 PolarHBondContact O-N 2.88Å
329	S	77.9	Confident	71.4	Confident	44 Å²	44	61.5 Å²	61.5	31%	0.308	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-8.8	-176.5	51.6	0	0	0	0	115.1	K311 C325 K326	K311-S329 WeakPolarHBondContact CD-O 3.41Å; C325-S329 PolarHBondContact O-N 3.44Å; K326-S329 PolarHBondContact O-OG 3.16Å
330	G	66.1	Low	70.8	Confident	76 Å²	76	65.4 Å²	65.4	78%	0.784	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.2	29.9	-178	0	0	0	0	0	114.9	H328	H328-G330 PolarHBondContact O-N 2.88Å
331	N	57.3	Low	70	Confident	57 Å²	57	71.7 Å²	71.7	31%	0.305	35%	0.352	S	S	.	.			trans	-114.5	26.3	-173.8	-162.6	60.8	0	0	0	113.5	E333 R334	N331-E333 VanDerWaalsContact C-N 3.3Å; N331-E333 PolarHBondContact O-N 2.53Å; N331-R334 WeakPolarHBondContact ND2-CB 3.24Å; N331-R334 WeakPolarHBondContact ND2-CD 3.37Å; N331-R334 WeakPolarHBondContact O-CB 3.42Å; N331-R334 PolarHBondContact O-N 3.19Å; N331-R334 VanDerWaalsContact O-N 3.07Å
332	E	55.3	Low	68.8	Low	123 Å²	123	74.5 Å²	74.5	58%	0.575	37%	0.367	S	S	*	.	H	α-helix	trans	-54	-39	-172.9	-64	176.2	129.4	0	0	113.7	K311 R334 D335	K311-E332 VanDerWaalsContact NZ-CG 3.28Å; K311-E332 IonicContact NZ-OE1 3.45Å; K311-E332 PolarHBondContact NZ-OE1 2.97Å; K311-E332 IonicContact NZ-OE2 3.82Å; E332-R334 PolarHBondContact O-N 3.37Å; E332-D335 PolarHBondContact O-N 3.45Å; E332-D335 VanDerWaalsContact O-N 3.14Å
333	E	50.8	Low	67.5	Low	178 Å²	178	75.6 Å²	75.6	83%	0.832	38%	0.378	S	S	*	.	H	α-helix	trans	-65.3	-21	-179	-67.8	-177.2	165.5	0	0	113.8	N331	N331-E333 VanDerWaalsContact C-N 3.3Å; N331-E333 PolarHBondContact O-N 2.53Å
334	R	49.9	Very low	66.3	Low	88 Å²	88	81.5 Å²	81.5	33%	0.332	40%	0.401	S	S	.	.	H	α-helix	trans	-80.7	-24	178.5	-166.9	-180	179.1	176.9	1.2	112.2	N331 E332 E336 E337 D338	N331-R334 WeakPolarHBondContact ND2-CB 3.24Å; N331-R334 WeakPolarHBondContact ND2-CD 3.37Å; N331-R334 WeakPolarHBondContact O-CB 3.42Å; N331-R334 PolarHBondContact O-N 3.19Å; N331-R334 VanDerWaalsContact O-N 3.07Å; E332-R334 PolarHBondContact O-N 3.37Å; R334-E336 VanDerWaalsContact C-N 3.33Å; R334-E336 PolarHBondContact O-N 3.08Å; R334-E337 PolarHBondContact O-N 3.23Å; R334-D338 IonicContact NE-OD2 2.67Å; R334-D338 PolarHBondContact NE-OD2 3.45Å; R334-D338 PolarHBondContact O-N 2.94Å; R334-D338 VanDerWaalsContact O-N 3.15Å
335	D	54.1	Low	64.9	Low	21 Å²	21	86.4 Å²	86.4	11%	0.112	43%	0.427	C	S	.	.	H	α-helix	trans	-68.9	-35.5	-172.9	-62.8	-32.4	0	0	0	110.3	Y324 E332 E337 E339	Y324-D335 VanDerWaalsContact CZ-OD1 3.31Å; Y324-D335 PolarHBondContact OH-OD1 2.99Å; Y324-D335 PolarHBondContact OH-OD2 3.26Å; E332-D335 PolarHBondContact O-N 3.45Å; E332-D335 VanDerWaalsContact O-N 3.14Å; D335-E337 PolarHBondContact O-N 2.7Å; D335-E339 WeakPolarHBondContact O-CB 3.36Å; D335-E339 WeakPolarHBondContact O-CG 3.43Å; D335-E339 PolarHBondContact O-N 3.12Å
336	E	55.1	Low	63.6	Low	149 Å²	149	96 Å²	96	70%	0.696	46%	0.464	S	S	*	.	H	α-helix	trans	-63.1	-42.8	176.3	-64.4	-178.4	-179.3	0	0	113.3	R334 E340	R334-E336 VanDerWaalsContact C-N 3.33Å; R334-E336 PolarHBondContact O-N 3.08Å; E336-E340 PolarHBondContact O-N 3.37Å
337	E	53	Low	62.2	Low	139 Å²	139	97.3 Å²	97.3	65%	0.65	47%	0.471	S	S	*	.	H	α-helix	trans	-72	-40.1	179.6	-71	-172.1	169.8	0	0	112.6	R334 D335 E339 R341	R334-E337 PolarHBondContact O-N 3.23Å; D335-E337 PolarHBondContact O-N 2.7Å; E337-E339 VanDerWaalsContact C-N 3.35Å; E337-R341 PolarHBondContact O-N 3.45Å; E337-R341 VanDerWaalsContact O-N 3.15Å
338	D	55.8	Low	61	Low	50 Å²	50	103.5 Å²	103.5	27%	0.267	49%	0.49	S	S	.	.	H	α-helix	trans	-72.4	-29.9	176.6	-79	-30.3	0	0	0	110.7	R334 R341 E342	R334-D338 IonicContact NE-OD2 2.67Å; R334-D338 PolarHBondContact NE-OD2 3.45Å; R334-D338 PolarHBondContact O-N 2.94Å; R334-D338 VanDerWaalsContact O-N 3.15Å; D338-R341 PolarHBondContact O-N 3.46Å; D338-R341 IonicContact OD1-NH1 3.62Å; D338-R341 PolarHBondContact OD1-NH1 3.1Å; D338-E342 WeakPolarHBondContact O-CG 3.45Å; D338-E342 PolarHBondContact O-N 3.39Å
339	E	57.3	Low	59.6	Low	40 Å²	40	104.6 Å²	104.6	19%	0.187	50%	0.504	C	S	.	.	H	α-helix	trans	-65.4	-42	170.8	-81.8	173.9	-169.9	0	0	113.3	R318 D335 E337 R341 E342 S343	R318-E339 IonicContact CZ-OE2 3.24Å; R318-E339 IonicContact NH1-OE2 2.76Å; R318-E339 PolarHBondContact NH1-OE2 3.02Å; R318-E339 IonicContact NH2-OE2 3.78Å; D335-E339 WeakPolarHBondContact O-CB 3.36Å; D335-E339 WeakPolarHBondContact O-CG 3.43Å; D335-E339 PolarHBondContact O-N 3.12Å; E337-E339 VanDerWaalsContact C-N 3.35Å; E339-R341 VanDerWaalsContact C-N 3.28Å; E339-R341 PolarHBondContact O-N 2.88Å; E339-E342 PolarHBondContact O-N 3.38Å; E339-S343 VanDerWaalsContact O-CB 3.3Å; E339-S343 WeakPolarHBondContact O-CB 3.09Å; E339-S343 PolarHBondContact O-N 2.88Å; E339-S343 PolarHBondContact O-OG 2.85Å
340	E	59.6	Low	58.6	Low	112 Å²	112	106 Å²	106	52%	0.523	52%	0.518	S	S	.	.	H	α-helix	trans	-66.9	-34.4	175.3	-161.5	-159.2	-169.8	0	0	110.6	E336 R344	E336-E340 PolarHBondContact O-N 3.37Å; E340-R344 VanDerWaalsContact CD-NH2 3.34Å; E340-R344 WeakPolarHBondContact O-CB 3.18Å; E340-R344 VanDerWaalsContact O-CG 3.25Å; E340-R344 WeakPolarHBondContact O-CG 3.49Å; E340-R344 PolarHBondContact O-N 2.78Å; E340-R344 VanDerWaalsContact O-N 3.11Å; E340-R344 PolarHBondContact O-NE 2.89Å; E340-R344 IonicContact OE1-CZ 3.57Å; E340-R344 IonicContact OE1-NH1 2.73Å; E340-R344 IonicContact OE2-CZ 2.68Å; E340-R344 IonicContact OE2-NH1 2.68Å; E340-R344 IonicContact OE2-NH2 3.4Å; E340-R344 PolarHBondContact OE2-NH2 3.46Å
341	R	62.5	Low	58.5	Low	158 Å²	158	108.4 Å²	108.4	60%	0.596	51%	0.512	S	S	*	.	H	α-helix	trans	-68.9	-44.1	173.9	-178.9	-178	-89.2	126.1	0.4	111.9	E337 D338 E339 N345	E337-R341 PolarHBondContact O-N 3.45Å; E337-R341 VanDerWaalsContact O-N 3.15Å; D338-R341 PolarHBondContact O-N 3.46Å; D338-R341 IonicContact OD1-NH1 3.62Å; D338-R341 PolarHBondContact OD1-NH1 3.1Å; E339-R341 VanDerWaalsContact C-N 3.28Å; E339-R341 PolarHBondContact O-N 2.88Å; R341-N345 WeakPolarHBondContact O-CB 3.37Å; R341-N345 PolarHBondContact O-N 3.07Å
342	E	60.5	Low	58.3	Low	95 Å²	95	112.6 Å²	112.6	44%	0.444	53%	0.534	S	S	.	.	H	α-helix	trans	-68.8	-37.6	179	-75.7	-173	159	0	0	112.2	K322 D338 E339 N345 R346	K322-E342 IonicContact NZ-OE2 2.74Å; D338-E342 WeakPolarHBondContact O-CG 3.45Å; D338-E342 PolarHBondContact O-N 3.39Å; E339-E342 PolarHBondContact O-N 3.38Å; E342-N345 PolarHBondContact O-N 3.35Å; E342-R346 WeakPolarHBondContact O-CB 3.21Å; E342-R346 PolarHBondContact O-N 2.78Å
343	S	62.3	Low	58.2	Low	57 Å²	57	114.6 Å²	114.6	40%	0.399	54%	0.543	S	S	.	.	H	α-helix	trans	-62.3	-47.7	174.3	-57.7	0	0	0	0	111.1	E339 N345 R346 E347	E339-S343 VanDerWaalsContact O-CB 3.3Å; E339-S343 WeakPolarHBondContact O-CB 3.09Å; E339-S343 PolarHBondContact O-N 2.88Å; E339-S343 PolarHBondContact O-OG 2.85Å; S343-N345 VanDerWaalsContact C-N 3.31Å; S343-N345 PolarHBondContact O-N 2.91Å; S343-R346 PolarHBondContact O-N 3.19Å; S343-E347 WeakPolarHBondContact O-CB 3.5Å; S343-E347 PolarHBondContact O-N 3.27Å
344	R	67.9	Low	58.3	Low	127 Å²	127	109.5 Å²	109.5	48%	0.479	54%	0.538	S	S	.	.	H	α-helix	trans	-60.9	-38.1	173.8	-76.1	-179.5	-70.7	-157.2	-8.1	112.7	E340 R348	E340-R344 VanDerWaalsContact CD-NH2 3.34Å; E340-R344 WeakPolarHBondContact O-CB 3.18Å; E340-R344 VanDerWaalsContact O-CG 3.25Å; E340-R344 WeakPolarHBondContact O-CG 3.49Å; E340-R344 PolarHBondContact O-N 2.78Å; E340-R344 VanDerWaalsContact O-N 3.11Å; E340-R344 PolarHBondContact O-NE 2.89Å; E340-R344 IonicContact OE1-CZ 3.57Å; E340-R344 IonicContact OE1-NH1 2.73Å; E340-R344 IonicContact OE2-CZ 2.68Å; E340-R344 IonicContact OE2-NH1 2.68Å; E340-R344 IonicContact OE2-NH2 3.4Å; E340-R344 PolarHBondContact OE2-NH2 3.46Å; R344-R348 VanDerWaalsContact O-CB 3.28Å; R344-R348 WeakPolarHBondContact O-CB 3.48Å; R344-R348 PolarHBondContact O-N 3.1Å
345	N	61.9	Low	57.6	Low	110 Å²	110	108.8 Å²	108.8	59%	0.588	56%	0.559	S	S	*	*	H	α-helix	trans	-70.7	-36.5	179.1	-163.8	43.6	0	0	0	112.1	R341 E342 S343 R348 A349	R341-N345 WeakPolarHBondContact O-CB 3.37Å; R341-N345 PolarHBondContact O-N 3.07Å; E342-N345 PolarHBondContact O-N 3.35Å; S343-N345 VanDerWaalsContact C-N 3.31Å; S343-N345 PolarHBondContact O-N 2.91Å; N345-R348 PolarHBondContact O-N 2.91Å; N345-A349 WeakPolarHBondContact O-CB 3.46Å; N345-A349 PolarHBondContact O-N 3.4Å
346	R	64.7	Low	57.2	Low	202 Å²	202	114.5 Å²	114.5	76%	0.762	59%	0.594	S	S	*	*	H	α-helix	trans	-68.3	-40.6	174.5	-171.5	179.4	-78	172.9	-3.6	111.5	E342 S343 A349 A350	E342-R346 WeakPolarHBondContact O-CB 3.21Å; E342-R346 PolarHBondContact O-N 2.78Å; S343-R346 PolarHBondContact O-N 3.19Å; R346-A349 PolarHBondContact O-N 3.02Å; R346-A350 PolarHBondContact O-N 3.43Å
347	E	60.6	Low	56.6	Low	128 Å²	128	115.1 Å²	115.1	60%	0.598	60%	0.602	S	S	*	*	H	α-helix	trans	-62.8	-43.1	173.4	-170.2	173	-166.3	0	0	111.3	S343 A349 A350 I351	S343-E347 WeakPolarHBondContact O-CB 3.5Å; S343-E347 PolarHBondContact O-N 3.27Å; E347-A349 PolarHBondContact O-N 3.06Å; E347-A350 WeakPolarHBondContact O-CB 3.38Å; E347-A350 PolarHBondContact O-N 2.65Å; E347-I351 HydrophobicContact CG-CD1 4.34Å; E347-I351 WeakPolarHBondContact O-CD1 3.34Å; E347-I351 VanDerWaalsContact O-CG1 3.3Å; E347-I351 WeakPolarHBondContact O-CG1 3.33Å; E347-I351 PolarHBondContact O-N 3.37Å; E347-I351 VanDerWaalsContact O-N 3.11Å
348	R	61.7	Low	56	Low	192 Å²	192	114.1 Å²	114.1	73%	0.725	61%	0.607	S	S	*	*	H	α-helix	trans	-65.4	-38.3	176.5	-152.9	170.8	-166.5	-167	2.3	113.1	R344 N345 A350 I351 D352	R344-R348 VanDerWaalsContact O-CB 3.28Å; R344-R348 WeakPolarHBondContact O-CB 3.48Å; R344-R348 PolarHBondContact O-N 3.1Å; N345-R348 PolarHBondContact O-N 2.91Å; R348-A350 VanDerWaalsContact C-N 3.32Å; R348-I351 PolarHBondContact O-N 3.38Å; R348-D352 PolarHBondContact O-N 2.95Å
349	A	57	Low	55.6	Low	50 Å²	50	119.6 Å²	119.6	41%	0.413	64%	0.636	S	S	.	*	H	α-helix	trans	-68.8	-29	174.3	0	0	0	0	0	112.9	N345 R346 E347 H353	N345-A349 WeakPolarHBondContact O-CB 3.46Å; N345-A349 PolarHBondContact O-N 3.4Å; R346-A349 PolarHBondContact O-N 3.02Å; E347-A349 PolarHBondContact O-N 3.06Å; A349-H353 PolarHBondContact O-CD2 2.99Å
350	A	58.3	Low	55.3	Low	75 Å²	75	123 Å²	123	62%	0.62	66%	0.661	S	S	*	*	H	α-helix	trans	-72.9	-30.3	173.6	0	0	0	0	0	112.5	R346 E347 R348	R346-A350 PolarHBondContact O-N 3.43Å; E347-A350 WeakPolarHBondContact O-CB 3.38Å; E347-A350 PolarHBondContact O-N 2.65Å; R348-A350 VanDerWaalsContact C-N 3.32Å
351	I	62.7	Low	54.8	Low	126 Å²	126	123.1 Å²	123.1	65%	0.646	67%	0.672	S	S	*	*	H	α-helix	trans	-75.6	-33.5	176.8	-64.6	162.2	0	0	0	111.6	E347 R348	E347-I351 HydrophobicContact CG-CD1 4.34Å; E347-I351 WeakPolarHBondContact O-CD1 3.34Å; E347-I351 VanDerWaalsContact O-CG1 3.3Å; E347-I351 WeakPolarHBondContact O-CG1 3.33Å; E347-I351 PolarHBondContact O-N 3.37Å; E347-I351 VanDerWaalsContact O-N 3.11Å; R348-I351 PolarHBondContact O-N 3.38Å
352	D	54.1	Low	53.9	Low	144 Å²	144	121.2 Å²	121.2	77%	0.77	68%	0.679	S	S	*	*	H	α-helix	trans	-77.3	-19.7	-176	-146.2	32.7	0	0	0	113.4	R348 G354	R348-D352 PolarHBondContact O-N 2.95Å; D352-G354 PolarHBondContact O-N 3.11Å
353	H	53.1	Low	53.1	Low	166 Å²	166	125.4 Å²	125.4	77%	0.769	70%	0.699	S	S	*	*	S	Bend	trans	-100.4	53.6	174.4	-73.7	-59.1	0	0	0	112.2	A349	A349-H353 PolarHBondContact O-CD2 2.99Å
354	G	52.2	Low	52.3	Low	70 Å²	70	130.9 Å²	130.9	72%	0.722	72%	0.722	S	S	*	*			trans	-43.3	140.3	-166.6	0	0	0	0	0	118.4	D352	D352-G354 PolarHBondContact O-N 3.11Å
355	G	36	Very low	51.2	Low	74 Å²	74	132.4 Å²	132.4	76%	0.763	74%	0.74	S	S	*	*			trans	-144.8	119	167	0	0	0	0	0	110.5
356	T	44.4	Very low	50.5	Low	141 Å²	141	130.6 Å²	130.6	87%	0.865	75%	0.747	S	S	*	*			trans	-38.9	126.6	179.9	-26.7	0	0	0	0	114.2
357	L	42.5	Very low	49.3	Very low	162 Å²	162	132.8 Å²	132.8	85%	0.848	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-63.1	130.3	166.7	-76.9	164.9	0	0	0	109.5	L359	L357-L359 PolarHBondContact O-N 3.33Å
358	P	40.7	Very low	48.7	Very low	118 Å²	118	133.1 Å²	133.1	77%	0.766	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-67.2	127.8	167.6	-10.9	26	0	0	0	108.9
359	L	46.9	Very low	48.1	Very low	165 Å²	165	129.9 Å²	129.9	86%	0.864	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-53.5	139.6	168.1	-79.3	155	0	0	0	110	L357	L357-L359 PolarHBondContact O-N 3.33Å
360	P	52.4	Low	47.6	Very low	111 Å²	111	134.4 Å²	134.4	72%	0.721	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-64.2	144.1	173.5	26.7	-31.9	0	0	0	110.1
361	P	47.8	Very low	46.9	Very low	115 Å²	115	137.9 Å²	137.9	75%	0.747	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-65	148.5	-178.9	26.2	-32.6	0	0	0	111.3	Q363	P361-Q363 PolarHBondContact O-N 3.23Å
362	P	44.2	Very low	45.9	Very low	117 Å²	117	138.6 Å²	138.6	76%	0.76	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-65	133.6	-179.3	26.5	-32.1	0	0	0	110.3	I364	P362-I364 PolarHBondContact O-N 3.18Å; P362-I364 VanDerWaalsContact O-N 3.09Å
363	Q	44.6	Very low	45.4	Very low	183 Å²	183	138.3 Å²	138.3	86%	0.855	83%	0.832	S	S	*	*			trans	-64.8	109.7	169.9	-69.4	-165.4	-25.6	0	0	109	P361 N365	P361-Q363 PolarHBondContact O-N 3.23Å; Q363-N365 PolarHBondContact O-N 3.23Å; Q363-N365 VanDerWaalsContact O-N 3.15Å
364	I	43.8	Very low	44.9	Very low	172 Å²	172	136.3 Å²	136.3	88%	0.882	84%	0.837	S	S	*	*			trans	-72.7	96.7	165.1	5.7	173	0	0	0	107	P362	P362-I364 PolarHBondContact O-N 3.18Å; P362-I364 VanDerWaalsContact O-N 3.09Å
365	N	46.1	Very low	44.3	Very low	160 Å²	160	141.4 Å²	141.4	86%	0.856	85%	0.846	S	S	*	*			trans	-74	121.3	156.4	-107.4	21.4	0	0	0	107.4	Q363	Q363-N365 PolarHBondContact O-N 3.23Å; Q363-N365 VanDerWaalsContact O-N 3.15Å
366	G	46.2	Very low	45	Very low	72 Å²	72	147 Å²	147	74%	0.742	85%	0.853	S	S	*	*			trans	-162.5	92.7	177.8	0	0	0	0	0	112.8
367	N	40.3	Very low	45	Very low	248 Å²	248	147.5 Å²	147.5	100%	1.326	85%	0.852	S	S	*	*			trans	63.1	0	164.2	-79.7	8.9	0	0	0	120.4

Retrieved 367 of 367 residues in 80.3 ms (Link to these results)

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