A0A087XRK1_POEFO Loading...

Carbonic anhydrase

Catalyzes the reversible hydration of carbon dioxide into bicarbonate and protons and thus is essential to maintaining intracellular and extracellular pH. May stimulate the sodium/bicarbonate transporter activity of SLC4A4 that acts in pH homeostasis. It is essential for acid overload removal from the retina and retina epithelium, and acid release in the choriocapillaris in the choroid. Reversible hydration of carbon dioxide.

AlphaFold DB , UniProt , Accession A0A087XRK1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 335 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	49.1	Very low	49	Very low	242 Å²	242	152.3 Å²	152.3	100%	1.192	76%	0.758	S	S	*	*				0	62.1	0	-164.7	-177.2	-92.3	0	0	109.5
2	L	49.8	Very low	49.3	Very low	159 Å²	159	145.4 Å²	145.4	83%	0.832	73%	0.73	S	S	*	*			trans	-154.2	16.5	-175.1	-108.1	162.8	0	0	0	114.2
3	H	50	Low	49.5	Very low	192 Å²	192	141.1 Å²	141.1	89%	0.889	71%	0.711	S	S	*	*	S	Bend	trans	-118.4	9.1	-175.7	-105.5	-25.2	0	0	0	116.3
4	L	49.2	Very low	49.9	Very low	160 Å²	160	136.9 Å²	136.9	84%	0.838	70%	0.696	S	S	*	*	S	Bend	trans	-112.9	-4.9	-179	-86.1	154.4	0	0	0	115.2
5	Q	46.6	Very low	50	Low	169 Å²	169	137.3 Å²	137.3	79%	0.79	69%	0.691	S	S	*	*	S	Bend	trans	-91.7	-10.2	-177.8	-85	-176.8	-45.2	0	0	115.2
6	H	47.6	Very low	49.9	Very low	165 Å²	165	139.6 Å²	139.6	76%	0.764	69%	0.689	S	S	*	*	H	α-helix	trans	-87.4	-24.4	-175.5	-140.9	49.7	0	0	0	114.1
7	S	49.4	Very low	50.3	Low	89 Å²	89	136.2 Å²	136.2	62%	0.622	68%	0.677	S	S	*	*	H	α-helix	trans	-82.7	-23.8	-176.4	-171.8	0	0	0	0	114.6	T10	S7-T10 PolarHBondContact O-OG1 3.2Å
8	Q	46	Very low	50.4	Low	150 Å²	150	135.7 Å²	135.7	70%	0.701	67%	0.671	S	S	*	*	H	α-helix	trans	-81.5	-30.7	-179.1	-89.2	-176.4	-23.9	0	0	112.8	Q11 T12	Q8-Q11 PolarHBondContact O-N 3.42Å; Q8-T12 PolarHBondContact O-N 3.46Å; Q8-T12 PolarHBondContact O-OG1 3.26Å; Q8-T12 VanDerWaalsContact O-OG1 3.14Å
9	K	49	Very low	50.7	Low	142 Å²	142	132.6 Å²	132.6	62%	0.617	66%	0.66	S	S	*	*	H	α-helix	trans	-70.8	-40.5	-175.7	-152	175.2	-175.5	-177.6	0	112.2	Q11 T12 D13	K9-Q11 VanDerWaalsContact C-N 3.34Å; K9-Q11 PolarHBondContact O-N 2.85Å; K9-T12 PolarHBondContact O-N 2.7Å; K9-T12 PolarHBondContact O-OG1 3.44Å; K9-D13 PolarHBondContact O-N 3.28Å; K9-D13 VanDerWaalsContact O-N 3.12Å
10	T	53.5	Low	50.9	Low	82 Å²	82	131.3 Å²	131.3	50%	0.503	65%	0.653	S	S	.	*	H	α-helix	trans	-66.6	-34	176.9	50.3	0	0	0	0	112.7	S7 V14	S7-T10 PolarHBondContact O-OG1 3.2Å; T10-V14 VanDerWaalsContact O-CG2 3.23Å; T10-V14 WeakPolarHBondContact O-CG2 3.08Å; T10-V14 PolarHBondContact O-N 3.08Å; T10-V14 VanDerWaalsContact O-N 3.15Å
11	Q	49.2	Very low	51	Low	125 Å²	125	130.6 Å²	130.6	58%	0.584	65%	0.648	S	S	*	*	H	α-helix	trans	-76.9	-31.3	-179.2	-161.8	167.1	24.8	0	0	113.1	Q8 K9 K15	Q8-Q11 PolarHBondContact O-N 3.42Å; K9-Q11 VanDerWaalsContact C-N 3.34Å; K9-Q11 PolarHBondContact O-N 2.85Å; Q11-K15 WeakPolarHBondContact O-CG 3.5Å; Q11-K15 PolarHBondContact O-N 3.23Å
12	T	52	Low	51.1	Low	70 Å²	70	124.2 Å²	124.2	43%	0.429	62%	0.619	S	S	.	*	H	α-helix	trans	-70.2	-41.6	170.7	43.4	0	0	0	0	111.6	Q8 K9 V14 K15 W16	Q8-T12 PolarHBondContact O-N 3.46Å; Q8-T12 PolarHBondContact O-OG1 3.26Å; Q8-T12 VanDerWaalsContact O-OG1 3.14Å; K9-T12 PolarHBondContact O-N 2.7Å; K9-T12 PolarHBondContact O-OG1 3.44Å; T12-V14 PolarHBondContact O-N 2.78Å; T12-K15 PolarHBondContact O-N 3.5Å; T12-W16 PolarHBondContact O-N 3.13Å; T12-W16 VanDerWaalsContact O-N 3.08Å
13	D	52.5	Low	51.2	Low	89 Å²	89	120.2 Å²	120.2	48%	0.476	60%	0.601	S	S	.	*	H	α-helix	trans	-67.3	-38.5	-177.9	-68.6	-21.5	0	0	0	112.2	K9 W16 V17	K9-D13 PolarHBondContact O-N 3.28Å; K9-D13 VanDerWaalsContact O-N 3.12Å; D13-W16 PolarHBondContact O-N 3.49Å; D13-V17 WeakPolarHBondContact O-CG2 3.29Å; D13-V17 PolarHBondContact O-N 3.42Å; D13-V17 VanDerWaalsContact O-N 3.15Å
14	V	54.6	Low	51.2	Low	83 Å²	83	118.8 Å²	118.8	50%	0.503	59%	0.588	S	S	.	*	H	α-helix	trans	-66.2	-38.3	174.4	176.6	0	0	0	0	111.4	T10 T12 W16 V17 F18	T10-V14 VanDerWaalsContact O-CG2 3.23Å; T10-V14 WeakPolarHBondContact O-CG2 3.08Å; T10-V14 PolarHBondContact O-N 3.08Å; T10-V14 VanDerWaalsContact O-N 3.15Å; T12-V14 PolarHBondContact O-N 2.78Å; V14-W16 VanDerWaalsContact C-N 3.34Å; V14-W16 PolarHBondContact O-N 2.88Å; V14-V17 PolarHBondContact O-N 3.01Å; V14-F18 HydrophobicContact CG1-CD2 3.83Å; V14-F18 HydrophobicContact CG1-CE2 3.93Å; V14-F18 WeakPolarHBondContact O-CD2 3.44Å; V14-F18 PolarHBondContact O-N 3.41Å; V14-F18 VanDerWaalsContact O-N 3.15Å
15	K	51.5	Low	51.4	Low	142 Å²	142	115.9 Å²	115.9	62%	0.617	58%	0.577	S	S	*	*	H	α-helix	trans	-64.6	-36.9	176.3	-78.5	-179.6	178.1	-176.2	0	112.4	Q11 T12 T19	Q11-K15 WeakPolarHBondContact O-CG 3.5Å; Q11-K15 PolarHBondContact O-N 3.23Å; T12-K15 PolarHBondContact O-N 3.5Å; K15-T19 PolarHBondContact O-N 3.12Å; K15-T19 PolarHBondContact O-OG1 3.4Å
16	W	47.9	Very low	51.7	Low	175 Å²	175	113.2 Å²	113.2	66%	0.663	57%	0.567	S	S	*	*	H	α-helix	trans	-69	-39	176.9	-78.2	114	0	0	0	113	T12 D13 V14 T19 M20	T12-W16 PolarHBondContact O-N 3.13Å; T12-W16 VanDerWaalsContact O-N 3.08Å; D13-W16 PolarHBondContact O-N 3.49Å; V14-W16 VanDerWaalsContact C-N 3.34Å; V14-W16 PolarHBondContact O-N 2.88Å; W16-T19 WeakPolarHBondContact CA-OG1 3.48Å; W16-T19 PolarHBondContact O-N 2.98Å; W16-T19 PolarHBondContact O-OG1 3.42Å; W16-M20 WeakPolarHBondContact O-CB 3.34Å; W16-M20 WeakPolarHBondContact O-CG 3.48Å; W16-M20 PolarHBondContact O-N 3.04Å
17	V	56.6	Low	51.9	Low	81 Å²	81	109.5 Å²	109.5	49%	0.491	55%	0.552	S	S	.	*	H	α-helix	trans	-67	-41.6	177	176.1	0	0	0	0	111.4	D13 V14 M20 Q21	D13-V17 WeakPolarHBondContact O-CG2 3.29Å; D13-V17 PolarHBondContact O-N 3.42Å; D13-V17 VanDerWaalsContact O-N 3.15Å; V14-V17 PolarHBondContact O-N 3.01Å; V17-M20 PolarHBondContact O-N 3.34Å; V17-Q21 WeakPolarHBondContact O-CB 3.11Å; V17-Q21 WeakPolarHBondContact O-CG 3.28Å; V17-Q21 PolarHBondContact O-N 3.06Å
18	F	53	Low	51.9	Low	127 Å²	127	109 Å²	109	56%	0.557	55%	0.548	S	S	*	.	H	α-helix	trans	-68.7	-37.3	176.5	-89.2	-81.8	0	0	0	113.2	V14 L22	V14-F18 HydrophobicContact CG1-CD2 3.83Å; V14-F18 HydrophobicContact CG1-CE2 3.93Å; V14-F18 WeakPolarHBondContact O-CD2 3.44Å; V14-F18 PolarHBondContact O-N 3.41Å; V14-F18 VanDerWaalsContact O-N 3.15Å; F18-L22 WeakPolarHBondContact O-CD1 3.22Å; F18-L22 PolarHBondContact O-N 3.35Å; F18-L22 VanDerWaalsContact O-N 3.07Å
19	T	55.9	Low	52	Low	78 Å²	78	109.1 Å²	109.1	48%	0.479	55%	0.546	S	S	.	.	H	α-helix	trans	-70.8	-36.4	175.3	29.9	0	0	0	0	112.4	K15 W16 T23	K15-T19 PolarHBondContact O-N 3.12Å; K15-T19 PolarHBondContact O-OG1 3.4Å; W16-T19 WeakPolarHBondContact CA-OG1 3.48Å; W16-T19 PolarHBondContact O-N 2.98Å; W16-T19 PolarHBondContact O-OG1 3.42Å; T19-T23 WeakPolarHBondContact O-CG2 3.44Å; T19-T23 PolarHBondContact O-N 3.44Å; T19-T23 VanDerWaalsContact O-N 3.12Å; T19-T23 PolarHBondContact O-OG1 3.11Å; T19-T23 VanDerWaalsContact O-OG1 3.09Å
20	M	54	Low	52.1	Low	106 Å²	106	107.4 Å²	107.4	52%	0.522	55%	0.547	S	S	.	.	H	α-helix	trans	-67	-43.3	172.8	-77.1	-174.2	67.5	0	0	111.8	W16 V17 L22 T23 W24	W16-M20 WeakPolarHBondContact O-CB 3.34Å; W16-M20 WeakPolarHBondContact O-CG 3.48Å; W16-M20 PolarHBondContact O-N 3.04Å; V17-M20 PolarHBondContact O-N 3.34Å; M20-L22 PolarHBondContact O-N 3.32Å; M20-T23 WeakPolarHBondContact CA-OG1 3.4Å; M20-T23 PolarHBondContact O-N 3Å; M20-T23 PolarHBondContact O-OG1 3.27Å; M20-W24 PolarHBondContact O-N 3.08Å
21	Q	52.9	Low	51.8	Low	116 Å²	116	110.4 Å²	110.4	54%	0.542	56%	0.56	S	S	.	*	H	α-helix	trans	-64.4	-37.8	177.9	-76.9	-179.7	-21.3	0	0	112.8	V17 V25	V17-Q21 WeakPolarHBondContact O-CB 3.11Å; V17-Q21 WeakPolarHBondContact O-CG 3.28Å; V17-Q21 PolarHBondContact O-N 3.06Å; Q21-V25 WeakPolarHBondContact O-CG2 3.39Å; Q21-V25 PolarHBondContact O-N 3.09Å; Q21-V25 VanDerWaalsContact O-N 3.13Å
22	L	50.9	Low	51.7	Low	109 Å²	109	108.1 Å²	108.1	57%	0.571	56%	0.557	S	S	*	*	H	α-helix	trans	-67.1	-37	174.2	-102.6	92.6	0	0	0	112.9	F18 M20 V25 L26	F18-L22 WeakPolarHBondContact O-CD1 3.22Å; F18-L22 PolarHBondContact O-N 3.35Å; F18-L22 VanDerWaalsContact O-N 3.07Å; M20-L22 PolarHBondContact O-N 3.32Å; L22-V25 PolarHBondContact O-N 3.47Å; L22-L26 WeakPolarHBondContact O-CD1 3.3Å; L22-L26 PolarHBondContact O-N 2.88Å
23	T	52.5	Low	51.4	Low	75 Å²	75	109.6 Å²	109.6	46%	0.46	57%	0.566	S	S	.	*	H	α-helix	trans	-71.1	-36.3	178.3	50.8	0	0	0	0	112.1	T19 M20 L26 I27	T19-T23 WeakPolarHBondContact O-CG2 3.44Å; T19-T23 PolarHBondContact O-N 3.44Å; T19-T23 VanDerWaalsContact O-N 3.12Å; T19-T23 PolarHBondContact O-OG1 3.11Å; T19-T23 VanDerWaalsContact O-OG1 3.09Å; M20-T23 WeakPolarHBondContact CA-OG1 3.4Å; M20-T23 PolarHBondContact O-N 3Å; M20-T23 PolarHBondContact O-OG1 3.27Å; T23-L26 PolarHBondContact O-N 3.01Å; T23-I27 WeakPolarHBondContact O-CB 3.48Å; T23-I27 WeakPolarHBondContact O-CD1 3.07Å; T23-I27 WeakPolarHBondContact O-CG1 3.46Å; T23-I27 PolarHBondContact O-N 3.26Å
24	W	50.3	Low	51	Low	161 Å²	161	114 Å²	114	61%	0.61	58%	0.581	S	S	*	*	H	α-helix	trans	-66.1	-38.6	172.9	-76.3	106.2	0	0	0	112.7	M20 I27 C28	M20-W24 PolarHBondContact O-N 3.08Å; W24-I27 PolarHBondContact O-N 3.33Å; W24-C28 WeakPolarHBondContact O-CB 3.19Å; W24-C28 PolarHBondContact O-N 3.39Å; W24-C28 PolarHBondContact O-SG 3.32Å; W24-C28 VanDerWaalsContact O-SG 3.37Å
25	V	54.3	Low	50.4	Low	100 Å²	100	116.3 Å²	116.3	61%	0.606	60%	0.595	S	S	*	*	H	α-helix	trans	-68.1	-39.9	175.7	173.8	0	0	0	0	111.7	Q21 L22 C28 F29	Q21-V25 WeakPolarHBondContact O-CG2 3.39Å; Q21-V25 PolarHBondContact O-N 3.09Å; Q21-V25 VanDerWaalsContact O-N 3.13Å; L22-V25 PolarHBondContact O-N 3.47Å; V25-C28 PolarHBondContact O-N 3.27Å; V25-F29 WeakPolarHBondContact O-CB 3.44Å; V25-F29 PolarHBondContact O-N 3.22Å
26	L	52	Low	50	Low	112 Å²	112	117.1 Å²	117.1	59%	0.586	61%	0.605	S	S	*	*	H	α-helix	trans	-66	-40	173.9	-103.8	109.3	0	0	0	112.4	L22 T23 F29 V30	L22-L26 WeakPolarHBondContact O-CD1 3.3Å; L22-L26 PolarHBondContact O-N 2.88Å; T23-L26 PolarHBondContact O-N 3.01Å; L26-F29 PolarHBondContact O-N 2.77Å; L26-V30 VanDerWaalsContact O-CG2 3.23Å; L26-V30 WeakPolarHBondContact O-CG2 3.42Å; L26-V30 PolarHBondContact O-N 3.15Å
27	I	52.2	Low	50.1	Low	87 Å²	87	113.5 Å²	113.5	45%	0.446	61%	0.606	S	S	.	*	H	α-helix	trans	-66.3	-40.2	177	-70.2	165	0	0	0	110.7	T23 W24 V30 L31	T23-I27 WeakPolarHBondContact O-CB 3.48Å; T23-I27 WeakPolarHBondContact O-CD1 3.07Å; T23-I27 WeakPolarHBondContact O-CG1 3.46Å; T23-I27 PolarHBondContact O-N 3.26Å; W24-I27 PolarHBondContact O-N 3.33Å; I27-V30 PolarHBondContact O-N 2.84Å; I27-L31 HydrophobicContact CG2-CD1 3.89Å; I27-L31 WeakPolarHBondContact O-CB 3.34Å; I27-L31 VanDerWaalsContact O-CG 3.3Å; I27-L31 WeakPolarHBondContact O-CG 3.44Å; I27-L31 PolarHBondContact O-N 3.43Å
28	C	49.8	Very low	50.4	Low	80 Å²	80	113.5 Å²	113.5	54%	0.541	62%	0.615	S	S	.	*	H	α-helix	trans	-66.7	-34.7	172.9	-73.3	0	0	0	0	112.8	W24 V25 L31 S32	W24-C28 WeakPolarHBondContact O-CB 3.19Å; W24-C28 PolarHBondContact O-N 3.39Å; W24-C28 PolarHBondContact O-SG 3.32Å; W24-C28 VanDerWaalsContact O-SG 3.37Å; V25-C28 PolarHBondContact O-N 3.27Å; C28-L31 PolarHBondContact O-N 3.15Å; C28-S32 PolarHBondContact O-N 3Å; C28-S32 PolarHBondContact O-OG 3.27Å
29	F	47.8	Very low	51.4	Low	152 Å²	152	109.4 Å²	109.4	67%	0.667	60%	0.604	S	S	*	*	H	α-helix	trans	-68.8	-41.3	176.3	-151	-99.5	0	0	0	111.4	V25 L26 S32	V25-F29 WeakPolarHBondContact O-CB 3.44Å; V25-F29 PolarHBondContact O-N 3.22Å; L26-F29 PolarHBondContact O-N 2.77Å; F29-S32 PolarHBondContact O-N 2.8Å; F29-S32 PolarHBondContact O-OG 2.96Å
30	V	50.5	Low	53.1	Low	106 Å²	106	112.7 Å²	112.7	64%	0.642	61%	0.614	S	S	*	*	H	α-helix	trans	-68.5	-33.3	176.5	177.9	0	0	0	0	112	L26 I27 S32	L26-V30 VanDerWaalsContact O-CG2 3.23Å; L26-V30 WeakPolarHBondContact O-CG2 3.42Å; L26-V30 PolarHBondContact O-N 3.15Å; I27-V30 PolarHBondContact O-N 2.84Å; V30-S32 PolarHBondContact O-N 3.27Å
31	L	47.8	Very low	55.1	Low	145 Å²	145	109.9 Å²	109.9	76%	0.759	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	-7.9	174.2	-73	167.4	0	0	0	114.2	I27 C28	I27-L31 HydrophobicContact CG2-CD1 3.89Å; I27-L31 WeakPolarHBondContact O-CB 3.34Å; I27-L31 VanDerWaalsContact O-CG 3.3Å; I27-L31 WeakPolarHBondContact O-CG 3.44Å; I27-L31 PolarHBondContact O-N 3.43Å; C28-L31 PolarHBondContact O-N 3.15Å
32	S	47	Very low	57.2	Low	76 Å²	76	104.4 Å²	104.4	53%	0.531	57%	0.572	S	S	.	*	T	Hydrogen-bonded Turn	trans	-106.3	1.6	178.9	66.7	0	0	0	0	114.3	C28 F29 V30 K34	C28-S32 PolarHBondContact O-N 3Å; C28-S32 PolarHBondContact O-OG 3.27Å; F29-S32 PolarHBondContact O-N 2.8Å; F29-S32 PolarHBondContact O-OG 2.96Å; V30-S32 PolarHBondContact O-N 3.27Å; S32-K34 PolarHBondContact O-N 2.84Å
33	V	46.3	Very low	59.4	Low	102 Å²	102	99.3 Å²	99.3	62%	0.618	55%	0.545	S	S	*	.			trans	-71.7	83.7	165.1	-172	0	0	0	0	107.2	T35	V33-T35 PolarHBondContact O-N 2.89Å
34	K	42.6	Very low	61.5	Low	182 Å²	182	100.4 Å²	100.4	79%	0.791	55%	0.545	S	S	*	.			trans	-54	111.9	157	-71.1	-174.9	178.2	-176.9	0	105.1	S32 I36	S32-K34 PolarHBondContact O-N 2.84Å; K34-I36 PolarHBondContact O-N 3.49Å
35	T	42.1	Very low	63.6	Low	131 Å²	131	94.1 Å²	94.1	80%	0.804	53%	0.526	S	S	*	.			trans	-55.8	98.8	160.8	41.9	0	0	0	0	105.3	V33 S37	V33-T35 PolarHBondContact O-N 2.89Å; T35-S37 PolarHBondContact O-N 3.05Å
36	I	43.2	Very low	65.5	Low	158 Å²	158	89.8 Å²	89.8	81%	0.81	50%	0.499	S	S	*	.			trans	-66.9	93.4	166	-61.1	172.8	0	0	0	102.7	K34 A38	K34-I36 PolarHBondContact O-N 3.49Å; I36-A38 PolarHBondContact O-N 3.39Å
37	S	51.2	Low	67.5	Low	99 Å²	99	87.2 Å²	87.2	69%	0.692	49%	0.488	S	S	*	.			trans	-54.2	111.4	164.6	-176.1	0	0	0	0	104.7	T35 A39	T35-S37 PolarHBondContact O-N 3.05Å; S37-A39 PolarHBondContact O-N 3.11Å; S37-A39 VanDerWaalsContact O-N 3.14Å
38	A	62.3	Low	69.3	Low	82 Å²	82	86 Å²	86	68%	0.678	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-50.2	126.8	168.8	0	0	0	0	0	106.4	I36 E40	I36-A38 PolarHBondContact O-N 3.39Å; A38-E40 PolarHBondContact O-N 3.48Å
39	A	73.4	Confident	71	Confident	40 Å²	40	88.7 Å²	88.7	33%	0.331	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-58.5	128.1	-176.7	0	0	0	0	0	108.8	S37 L54 I62	S37-A39 PolarHBondContact O-N 3.11Å; S37-A39 VanDerWaalsContact O-N 3.14Å; A39-L54 HydrophobicContact CB-CD1 3.95Å; A39-L54 HydrophobicContact CB-CD2 4.43Å; A39-L54 HydrophobicContact CB-CG 3.79Å; A39-I62 WeakPolarHBondContact O-CD1 3.23Å
40	E	91.6	Very high	72.7	Confident	147 Å²	147	88.6 Å²	88.6	69%	0.687	51%	0.512	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69	157	176.8	-68.5	-167.8	152.7	0	0	110.4	A38 C53 L54	A38-E40 PolarHBondContact O-N 3.48Å; E40-C53 CarbonylContact O-C 3.52Å; E40-C53 WeakPolarHBondContact O-CA 3.47Å; E40-C53 WeakPolarHBondContact O-CB 3.46Å; E40-L54 PolarHBondContact O-N 2.83Å
41	W	95.9	Very high	74.2	Confident	47 Å²	47	85.3 Å²	85.3	18%	0.178	49%	0.493	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	150.9	175.9	72.2	-87.9	0	0	0	110.7	Y43 W59 I62 H108 T244 P245	W41-Y43 HydrophobicContact CH2-CE2 4.06Å; W41-Y43 HydrophobicContact CZ3-CD1 4.5Å; W41-Y43 HydrophobicContact CZ3-CD2 4.2Å; W41-Y43 HydrophobicContact CZ3-CE1 4.17Å; W41-Y43 AromaticContact CZ3-CE2 3.86Å; W41-Y43 HydrophobicContact CZ3-CE2 3.86Å; W41-Y43 AromaticContact CZ3-CZ 3.86Å; W41-W59 HydrophobicContact CD2-CZ2 4.49Å; W41-W59 AromaticContact CE3-CE2 3.85Å; W41-W59 HydrophobicContact CE3-CH2 4.18Å; W41-W59 AromaticContact CE3-CZ2 3.43Å; W41-W59 HydrophobicContact CE3-CZ2 3.43Å; W41-W59 VanDerWaalsContact CE3-CZ2 3.43Å; W41-W59 HydrophobicContact CZ3-CH2 4.15Å; W41-W59 AromaticContact CZ3-CZ2 3.75Å; W41-W59 HydrophobicContact CZ3-CZ2 3.75Å; W41-I62 HydrophobicContact CB-CD1 3.33Å; W41-H108 AromaticContact CE2-CE1 3.63Å; W41-H108 AromaticContact CE2-ND1 3.91Å; W41-H108 AromaticContact CE2-NE2 3.86Å; W41-H108 HydrophobicContact CH2-CB 3.72Å; W41-H108 AromaticContact CH2-CE1 3.92Å; W41-H108 AromaticContact CH2-CG 3.46Å; W41-H108 VanDerWaalsContact CH2-CG 3.46Å; W41-H108 AromaticContact CH2-ND1 3.33Å; W41-H108 VanDerWaalsContact CH2-ND1 3.33Å; W41-H108 WeakPolarHBondContact CH2-ND1 3.43Å; W41-H108 HydrophobicContact CZ2-CB 4.06Å; W41-H108 AromaticContact CZ2-CD2 3.61Å; W41-H108 AromaticContact CZ2-CE1 3.54Å; W41-H108 AromaticContact CZ2-CG 3.43Å; W41-H108 VanDerWaalsContact CZ2-CG 3.43Å; W41-H108 AromaticContact CZ2-ND1 3.4Å; W41-H108 WeakPolarHBondContact CZ2-ND1 3.33Å; W41-H108 AromaticContact CZ2-NE2 3.67Å; W41-H108 AromaticContact CZ3-ND1 3.78Å; W41-T244 HydrophobicContact CH2-CG2 3.52Å; W41-T244 HydrophobicContact CZ2-CG2 4.13Å; W41-T244 HydrophobicContact CZ3-CG2 4.04Å; W41-P245 HydrophobicContact CB-CB 4.48Å; W41-P245 HydrophobicContact CB-CG 3.75Å; W41-P245 HydrophobicContact CD2-CG 4.02Å; W41-P245 HydrophobicContact CE3-CG 4.49Å; W41-P245 HydrophobicContact CG-CB 4.19Å; W41-P245 HydrophobicContact CG-CG 3.68Å
42	C	96.9	Very high	76.1	Confident	1 Å²	1	84.7 Å²	84.7	1%	0.007	50%	0.496	C	S	.	.			trans	-147.2	167.9	171.5	60.2	0	0	0	0	111.6	Q46 C53 L54 W59	C42-Q46 HydrophobicContact CB-CB 3.74Å; C42-Q46 HydrophobicContact CB-CG 4.37Å; C42-C53 HydrophobicContact CB-CB 3.56Å; C42-C53 WeakPolarHBondContact CB-SG 3.48Å; C42-C53 WeakPolarHBondContact SG-CB 3.35Å; C42-C53 CovalentContact SG-SG 2.03Å; C42-C53 PolarHBondContact SG-SG 2.86Å; C42-L54 PolarHBondContact N-O 2.81Å; C42-W59 WeakPolarHBondContact O-CZ2 3.34Å; C42-W59 PolarHBondContact O-NE1 3.3Å; C42-W59 VanDerWaalsContact O-NE1 3.08Å
43	Y	97.4	Very high	78.4	Confident	2 Å²	2	82 Å²	82	1%	0.008	48%	0.477	C	S	.	.			trans	-76.3	164	173.1	-69.1	-74	0	0	0	111.6	W41 S45 Q46 W59 H108 F275 I284	W41-Y43 HydrophobicContact CH2-CE2 4.06Å; W41-Y43 HydrophobicContact CZ3-CD1 4.5Å; W41-Y43 HydrophobicContact CZ3-CD2 4.2Å; W41-Y43 HydrophobicContact CZ3-CE1 4.17Å; W41-Y43 AromaticContact CZ3-CE2 3.86Å; W41-Y43 HydrophobicContact CZ3-CE2 3.86Å; W41-Y43 AromaticContact CZ3-CZ 3.86Å; Y43-S45 PolarHBondContact O-N 2.63Å; Y43-Q46 WeakPolarHBondContact O-CB 3.15Å; Y43-Q46 PolarHBondContact O-N 2.92Å; Y43-W59 HydrophobicContact CD1-CH2 4.48Å; Y43-W59 HydrophobicContact CD1-CZ2 4.46Å; Y43-W59 HydrophobicContact CE1-CH2 4.36Å; Y43-H108 HydrophobicContact CE2-CB 4.13Å; Y43-H108 WeakPolarHBondContact CE2-O 3.3Å; Y43-F275 HydrophobicContact CD2-CE1 4.15Å; Y43-F275 HydrophobicContact CD2-CZ 4.45Å; Y43-I284 HydrophobicContact CD2-CB 3.89Å; Y43-I284 HydrophobicContact CD2-CG2 3.79Å; Y43-I284 VanDerWaalsContact CE1-C 3.43Å; Y43-I284 HydrophobicContact CE1-CB 4.49Å; Y43-I284 HydrophobicContact CE2-CB 3.66Å; Y43-I284 HydrophobicContact CE2-CG2 3.88Å; Y43-I284 HydrophobicContact CG-CB 4.38Å; Y43-I284 HydrophobicContact CG-CG2 4.49Å
44	Q	96.1	Very high	80.7	Confident	98 Å²	98	79.3 Å²	79.3	46%	0.458	46%	0.459	S	S	.	.	G	3₁₀ helix	trans	-57.8	-33.5	179.1	-173.1	57.7	34.9	0	0	112.7	Q46 V47 P56	Q44-Q46 PolarHBondContact O-N 3.14Å; Q44-V47 PolarHBondContact O-N 3.4Å; Q44-V47 VanDerWaalsContact O-N 3.15Å; Q44-P56 HydrophobicContact CB-CG 4.47Å
45	S	95	Very high	83.3	Confident	30 Å²	30	71.1 Å²	71.1	21%	0.21	43%	0.426	C	S	.	.	G	3₁₀ helix	trans	-64.9	-17.6	176.5	54.6	0	0	0	0	114	Y43 I282	Y43-S45 PolarHBondContact O-N 2.63Å; S45-I282 VanDerWaalsContact CB-O 3.3Å; S45-I282 WeakPolarHBondContact CB-O 3.42Å; S45-I282 PolarHBondContact OG-O 3.21Å
46	Q	95.4	Very high	85.9	Confident	9 Å²	9	65.5 Å²	65.5	4%	0.042	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-93.9	-13.7	177	-66.4	176.9	-88.5	0	0	113	C42 Y43 Q44 S48 F275 D277 R279	C42-Q46 HydrophobicContact CB-CB 3.74Å; C42-Q46 HydrophobicContact CB-CG 4.37Å; Y43-Q46 WeakPolarHBondContact O-CB 3.15Å; Y43-Q46 PolarHBondContact O-N 2.92Å; Q44-Q46 PolarHBondContact O-N 3.14Å; Q46-S48 PolarHBondContact O-N 2.82Å; Q46-F275 VanDerWaalsContact CD-CD1 3.48Å; Q46-F275 HydrophobicContact CG-CD1 4.19Å; Q46-F275 HydrophobicContact CG-CD2 3.64Å; Q46-F275 HydrophobicContact CG-CE1 4.14Å; Q46-F275 HydrophobicContact CG-CE2 3.55Å; Q46-F275 HydrophobicContact CG-CG 3.96Å; Q46-F275 HydrophobicContact CG-CZ 3.81Å; Q46-D277 PolarHBondContact NE2-OD2 2.78Å; Q46-D277 VanDerWaalsContact NE2-OD2 3.09Å; Q46-R279 VanDerWaalsContact C-NH1 3.31Å; Q46-R279 VanDerWaalsContact CA-CZ 3.49Å; Q46-R279 VanDerWaalsContact CA-NH2 3.26Å; Q46-R279 PolarHBondContact O-NH1 3.28Å; Q46-R279 PolarHBondContact O-NH2 3.22Å
47	V	94	Very high	88.4	Confident	58 Å²	58	64.9 Å²	64.9	35%	0.352	39%	0.39	S	S	.	.			trans	-70.3	130.2	-179.4	-179.5	0	0	0	0	110.2	Q44	Q44-V47 PolarHBondContact O-N 3.4Å; Q44-V47 VanDerWaalsContact O-N 3.15Å
48	S	89.6	Confident	90.6	Very high	60 Å²	60	61.2 Å²	61.2	42%	0.42	37%	0.366	S	S	.	.			trans	-150.9	169.9	174.4	70.8	0	0	0	0	110.3	Q46 N50 S51	Q46-S48 PolarHBondContact O-N 2.82Å; S48-N50 PolarHBondContact O-N 2.73Å; S48-S51 PolarHBondContact N-OG 3.38Å; S48-S51 VanDerWaalsContact N-OG 3.07Å; S48-S51 PolarHBondContact O-N 3.35Å; S48-S51 PolarHBondContact O-OG 3.12Å; S48-S51 PolarHBondContact OG-N 3.19Å
49	C	85.1	Confident	92.3	Very high	138 Å²	138	57.3 Å²	57.3	93%	0.932	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-24.4	179.7	-62.3	0	0	0	0	113.6
50	N	84.3	Confident	93.4	Very high	150 Å²	150	61 Å²	61	80%	0.802	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.7	9.9	-178.6	-61.9	-18.6	0	0	0	112.8	S48	S48-N50 PolarHBondContact O-N 2.73Å
51	S	81.6	Confident	93.5	Very high	36 Å²	36	61.3 Å²	61.3	25%	0.252	35%	0.345	S	S	.	.			trans	-70.6	136	-179.9	54.6	0	0	0	0	111	S48 C53	S48-S51 PolarHBondContact N-OG 3.38Å; S48-S51 VanDerWaalsContact N-OG 3.07Å; S48-S51 PolarHBondContact O-N 3.35Å; S48-S51 PolarHBondContact O-OG 3.12Å; S48-S51 PolarHBondContact OG-N 3.19Å; S51-C53 VanDerWaalsContact C-N 3.28Å
52	T	87.8	Confident	93.5	Very high	132 Å²	132	61.5 Å²	61.5	81%	0.81	35%	0.35	S	S	*	.	S	Bend	trans	-89.7	7.4	176.2	54.7	0	0	0	0	113.1
53	C	94	Very high	93.4	Very high	20 Å²	20	62.2 Å²	62.2	14%	0.135	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	156.7	-175.1	64.9	0	0	0	0	111.4	E40 C42 S51	E40-C53 CarbonylContact O-C 3.52Å; E40-C53 WeakPolarHBondContact O-CA 3.47Å; E40-C53 WeakPolarHBondContact O-CB 3.46Å; C42-C53 HydrophobicContact CB-CB 3.56Å; C42-C53 WeakPolarHBondContact CB-SG 3.48Å; C42-C53 WeakPolarHBondContact SG-CB 3.35Å; C42-C53 CovalentContact SG-SG 2.03Å; C42-C53 PolarHBondContact SG-SG 2.86Å; S51-C53 VanDerWaalsContact C-N 3.28Å
54	L	95.4	Very high	93.4	Very high	45 Å²	45	70.2 Å²	70.2	24%	0.236	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	128.2	176.6	-55.7	176.3	0	0	0	110.9	A39 E40 C42 A58 W59 E61 I62	A39-L54 HydrophobicContact CB-CD1 3.95Å; A39-L54 HydrophobicContact CB-CD2 4.43Å; A39-L54 HydrophobicContact CB-CG 3.79Å; E40-L54 PolarHBondContact O-N 2.83Å; C42-L54 PolarHBondContact N-O 2.81Å; L54-A58 HydrophobicContact CB-CB 4.01Å; L54-A58 HydrophobicContact CD1-CB 4.49Å; L54-A58 HydrophobicContact CD2-CB 4.38Å; L54-W59 VanDerWaalsContact O-CD1 3.29Å; L54-W59 PolarHBondContact O-NE1 2.82Å; L54-W59 VanDerWaalsContact O-NE1 3.12Å; L54-E61 HydrophobicContact CD1-CB 4.01Å; L54-I62 HydrophobicContact CB-CD1 3.82Å; L54-I62 HydrophobicContact CB-CG1 4.27Å; L54-I62 HydrophobicContact CD1-CD1 4.17Å; L54-I62 HydrophobicContact CD1-CG1 3.76Å; L54-I62 HydrophobicContact CG-CD1 4.32Å; L54-I62 HydrophobicContact CG-CG1 4.44Å
55	G	96.9	Very high	93.4	Very high	10 Å²	10	70 Å²	70	10%	0.103	39%	0.391	C	S	.	.			trans	-73.1	173.7	174.4	0	0	0	0	0	113.2	D57 A58 W59	G55-D57 VanDerWaalsContact C-N 3.25Å; G55-D57 PolarHBondContact O-N 2.75Å; G55-D57 VanDerWaalsContact O-N 3.11Å; G55-A58 PolarHBondContact O-N 2.98Å; G55-W59 VanDerWaalsContact C-CD1 3.42Å; G55-W59 PolarHBondContact O-N 3.4Å
56	P	97.2	Very high	93.5	Very high	13 Å²	13	68.9 Å²	68.9	8%	0.084	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-52.6	-36	-174.3	-29.1	36.1	0	0	0	115.7	Q44 A58 W59 P287	Q44-P56 HydrophobicContact CB-CG 4.47Å; P56-A58 PolarHBondContact O-N 2.83Å; P56-W59 HydrophobicContact CB-CD2 4.28Å; P56-W59 HydrophobicContact CB-CE3 4.48Å; P56-W59 HydrophobicContact CB-CZ2 4.29Å; P56-W59 HydrophobicContact CG-CH2 4.25Å; P56-W59 HydrophobicContact CG-CZ2 3.82Å; P56-W59 PolarHBondContact O-N 2.76Å; P56-P287 HydrophobicContact CB-CG 4.22Å
57	D	95.9	Very high	93.6	Very high	146 Å²	146	70.4 Å²	70.4	78%	0.781	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-66.2	-21.3	179.9	-65.8	-16.6	0	0	0	113.1	G55	G55-D57 VanDerWaalsContact C-N 3.25Å; G55-D57 PolarHBondContact O-N 2.75Å; G55-D57 VanDerWaalsContact O-N 3.11Å
58	A	96.4	Very high	93.8	Very high	22 Å²	22	69.1 Å²	69.1	18%	0.182	40%	0.4	C	S	.	.	G	3₁₀ helix	trans	-112.1	6.8	179.9	0	0	0	0	0	113	L54 G55 P56 Q60 E61	L54-A58 HydrophobicContact CB-CB 4.01Å; L54-A58 HydrophobicContact CD1-CB 4.49Å; L54-A58 HydrophobicContact CD2-CB 4.38Å; G55-A58 PolarHBondContact O-N 2.98Å; P56-A58 PolarHBondContact O-N 2.83Å; A58-Q60 PolarHBondContact O-N 3.4Å; A58-Q60 VanDerWaalsContact O-N 3.11Å; A58-E61 WeakPolarHBondContact O-CB 3.25Å; A58-E61 PolarHBondContact O-N 2.69Å
59	W	97.4	Very high	94.2	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	40%	0.404	C	S	.	.	H	α-helix	trans	-61.6	-21.9	179.1	-75.8	-1.7	0	0	0	113.8	W41 C42 Y43 L54 G55 P56 E61 I62 S63 C66 T243 P245 R286	W41-W59 HydrophobicContact CD2-CZ2 4.49Å; W41-W59 AromaticContact CE3-CE2 3.85Å; W41-W59 HydrophobicContact CE3-CH2 4.18Å; W41-W59 AromaticContact CE3-CZ2 3.43Å; W41-W59 HydrophobicContact CE3-CZ2 3.43Å; W41-W59 VanDerWaalsContact CE3-CZ2 3.43Å; W41-W59 HydrophobicContact CZ3-CH2 4.15Å; W41-W59 AromaticContact CZ3-CZ2 3.75Å; W41-W59 HydrophobicContact CZ3-CZ2 3.75Å; C42-W59 WeakPolarHBondContact O-CZ2 3.34Å; C42-W59 PolarHBondContact O-NE1 3.3Å; C42-W59 VanDerWaalsContact O-NE1 3.08Å; Y43-W59 HydrophobicContact CD1-CH2 4.48Å; Y43-W59 HydrophobicContact CD1-CZ2 4.46Å; Y43-W59 HydrophobicContact CE1-CH2 4.36Å; L54-W59 VanDerWaalsContact O-CD1 3.29Å; L54-W59 PolarHBondContact O-NE1 2.82Å; L54-W59 VanDerWaalsContact O-NE1 3.12Å; G55-W59 VanDerWaalsContact C-CD1 3.42Å; G55-W59 PolarHBondContact O-N 3.4Å; P56-W59 HydrophobicContact CB-CD2 4.28Å; P56-W59 HydrophobicContact CB-CE3 4.48Å; P56-W59 HydrophobicContact CB-CZ2 4.29Å; P56-W59 HydrophobicContact CG-CH2 4.25Å; P56-W59 HydrophobicContact CG-CZ2 3.82Å; P56-W59 PolarHBondContact O-N 2.76Å; W59-E61 PolarHBondContact O-N 2.82Å; W59-I62 WeakPolarHBondContact O-CB 3.38Å; W59-I62 PolarHBondContact O-N 3.37Å; W59-I62 VanDerWaalsContact O-N 3.09Å; W59-S63 PolarHBondContact O-N 2.9Å; W59-C66 HydrophobicContact CB-CB 3.86Å; W59-T243 VanDerWaalsContact CZ3-O 3.25Å; W59-T243 WeakPolarHBondContact CZ3-O 3.15Å; W59-P245 HydrophobicContact CB-CG 4.2Å; W59-P245 HydrophobicContact CD2-CG 3.58Å; W59-P245 HydrophobicContact CE3-CG 3.85Å; W59-P245 HydrophobicContact CG-CG 3.75Å; W59-P245 HydrophobicContact CZ3-CG 4.47Å; W59-R286 HydrophobicContact CE3-CG 4.4Å; W59-R286 HydrophobicContact CH2-CB 4.22Å; W59-R286 HydrophobicContact CH2-CG 4.12Å; W59-R286 HydrophobicContact CZ3-CB 4.12Å; W59-R286 HydrophobicContact CZ3-CG 3.63Å
60	Q	96.9	Very high	94.8	Very high	117 Å²	117	66.4 Å²	66.4	55%	0.547	37%	0.372	S	S	.	.	H	α-helix	trans	-59.9	-28.6	171.8	179.6	177.4	-24	0	0	112.6	A58 I62 S63 Q64	A58-Q60 PolarHBondContact O-N 3.4Å; A58-Q60 VanDerWaalsContact O-N 3.11Å; Q60-I62 VanDerWaalsContact C-N 3.35Å; Q60-S63 WeakPolarHBondContact CA-O 3.31Å; Q60-S63 CarbonylContact O-C 3.59Å; Q60-Q64 WeakPolarHBondContact O-CA 3.46Å; Q60-Q64 PolarHBondContact O-N 2.8Å
61	E	95.2	Very high	95.5	Very high	153 Å²	153	59.4 Å²	59.4	72%	0.715	33%	0.334	S	S	*	.	H	α-helix	trans	-73.6	-30.2	176.4	-58.6	178.7	-156.2	0	0	111.8	L54 A58 W59	L54-E61 HydrophobicContact CD1-CB 4.01Å; A58-E61 WeakPolarHBondContact O-CB 3.25Å; A58-E61 PolarHBondContact O-N 2.69Å; W59-E61 PolarHBondContact O-N 2.82Å
62	I	94.2	Very high	96.4	Very high	52 Å²	52	57.7 Å²	57.7	27%	0.267	32%	0.322	S	S	.	.	H	α-helix	trans	-75.7	-45.5	173.8	-60.4	-173.4	0	0	0	110.1	A39 W41 L54 W59 Q60 P245	A39-I62 WeakPolarHBondContact O-CD1 3.23Å; W41-I62 HydrophobicContact CB-CD1 3.33Å; L54-I62 HydrophobicContact CB-CD1 3.82Å; L54-I62 HydrophobicContact CB-CG1 4.27Å; L54-I62 HydrophobicContact CD1-CD1 4.17Å; L54-I62 HydrophobicContact CD1-CG1 3.76Å; L54-I62 HydrophobicContact CG-CD1 4.32Å; L54-I62 HydrophobicContact CG-CG1 4.44Å; W59-I62 WeakPolarHBondContact O-CB 3.38Å; W59-I62 PolarHBondContact O-N 3.37Å; W59-I62 VanDerWaalsContact O-N 3.09Å; Q60-I62 VanDerWaalsContact C-N 3.35Å; I62-P245 HydrophobicContact CG2-CB 4.36Å
63	S	95.6	Very high	96.9	Very high	16 Å²	16	51.4 Å²	51.4	11%	0.112	28%	0.284	C	S	.	.			trans	-147.2	116.8	177.5	-172.3	0	0	0	0	110.3	W59 Q60 Q65 C66 N246	W59-S63 PolarHBondContact O-N 2.9Å; Q60-S63 WeakPolarHBondContact CA-O 3.31Å; Q60-S63 CarbonylContact O-C 3.59Å; S63-Q65 PolarHBondContact O-N 3.38Å; S63-C66 WeakPolarHBondContact O-CB 3.05Å; S63-C66 PolarHBondContact O-N 3.05Å; S63-N246 VanDerWaalsContact CB-OD1 3.26Å; S63-N246 WeakPolarHBondContact CB-OD1 3.4Å; S63-N246 WeakPolarHBondContact OG-CB 3.4Å; S63-N246 PolarHBondContact OG-O 3.26Å; S63-N246 PolarHBondContact OG-OD1 2.94Å
64	Q	96.6	Very high	97.1	Very high	169 Å²	169	50.4 Å²	50.4	79%	0.79	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-53.9	-28.1	-177.8	-67.7	-176.7	-10.5	0	0	113	Q60 C66 G67	Q60-Q64 WeakPolarHBondContact O-CA 3.46Å; Q60-Q64 PolarHBondContact O-N 2.8Å; Q64-C66 PolarHBondContact O-N 2.8Å; Q64-G67 PolarHBondContact O-N 2.89Å; Q64-G67 VanDerWaalsContact O-N 3.09Å
65	Q	96.8	Very high	97.3	Very high	94 Å²	94	50.6 Å²	50.6	44%	0.439	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-62.1	-25.8	177.3	-69	173.9	3.9	0	0	113.2	S63 G67 G68 Q71 N246 N248	S63-Q65 PolarHBondContact O-N 3.38Å; Q65-G67 PolarHBondContact O-N 3.4Å; Q65-G68 PolarHBondContact O-N 3.39Å; Q65-Q71 PolarHBondContact O-NE2 2.89Å; Q65-N246 WeakPolarHBondContact CB-O 3.43Å; Q65-N246 PolarHBondContact OE1-O 3.07Å; Q65-N248 PolarHBondContact OE1-ND2 2.83Å
66	C	98.1	Very high	97.4	Very high	7 Å²	7	50.1 Å²	50.1	5%	0.047	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-66.5	-17.5	174.9	-63.8	0	0	0	0	113.5	W59 S63 Q64 G68 Q71 C247 R286	W59-C66 HydrophobicContact CB-CB 3.86Å; S63-C66 WeakPolarHBondContact O-CB 3.05Å; S63-C66 PolarHBondContact O-N 3.05Å; Q64-C66 PolarHBondContact O-N 2.8Å; C66-G68 VanDerWaalsContact C-N 3.34Å; C66-Q71 PolarHBondContact O-OE1 2.82Å; C66-C247 VanDerWaalsContact CA-SG 3.58Å; C66-C247 HydrophobicContact CB-CB 3.75Å; C66-C247 WeakPolarHBondContact CB-SG 3.36Å; C66-C247 WeakPolarHBondContact SG-CB 3.31Å; C66-C247 CovalentContact SG-SG 2.05Å; C66-C247 PolarHBondContact SG-SG 3.17Å; C66-R286 PolarHBondContact O-NH2 3.38Å
67	G	97.6	Very high	97.4	Very high	41 Å²	41	52 Å²	52	42%	0.423	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-90	13.2	170.9	0	0	0	0	0	114.5	Q64 Q65	Q64-G67 PolarHBondContact O-N 2.89Å; Q64-G67 VanDerWaalsContact O-N 3.09Å; Q65-G67 PolarHBondContact O-N 3.4Å
68	G	97.6	Very high	97.5	Very high	31 Å²	31	47.2 Å²	47.2	32%	0.32	26%	0.261	S	S	.	.			trans	-66.3	169.7	-178.8	0	0	0	0	0	114.5	Q65 C66 Q71 E249	Q65-G68 PolarHBondContact O-N 3.39Å; C66-G68 VanDerWaalsContact C-N 3.34Å; G68-Q71 WeakPolarHBondContact O-CG 3.24Å; G68-E249 WeakPolarHBondContact CA-OE1 3.49Å
69	S	97.9	Very high	97.5	Very high	73 Å²	73	55.8 Å²	55.8	51%	0.51	29%	0.294	S	S	.	.	S	Bend	trans	-95.6	-4.5	-176.2	65.9	0	0	0	0	114.3	E249 N292	S69-E249 PolarHBondContact N-OE1 2.88Å; S69-N292 PolarHBondContact O-ND2 3.39Å
70	R	98.3	Very high	97.5	Very high	67 Å²	67	63.8 Å²	63.8	25%	0.253	33%	0.329	S	S	.	.	S	Bend	trans	-121.8	36.9	178.9	-59.3	171.5	41.4	-146.6	-20.6	111.4	G240 S241 E249 R294	R70-G240 CarbonylContact O-C 3.52Å; R70-G240 VanDerWaalsContact O-C 3.26Å; R70-G240 VanDerWaalsContact O-CA 3.22Å; R70-G240 WeakPolarHBondContact O-CA 3.2Å; R70-S241 PolarHBondContact O-N 3.42Å; R70-E249 WeakPolarHBondContact CA-OE1 3.48Å; R70-E249 HydrophobicContact CB-CB 4.44Å; R70-E249 HydrophobicContact CB-CG 4.23Å; R70-E249 PolarHBondContact N-OE1 2.85Å; R70-E249 PolarHBondContact NH2-O 3.23Å; R70-R294 VanDerWaalsContact CA-CZ 3.49Å; R70-R294 HydrophobicContact CG-CG 4.24Å; R70-R294 PolarHBondContact O-NH1 2.52Å
71	Q	98.8	Very high	97.6	Very high	3 Å²	3	59.6 Å²	59.6	1%	0.014	31%	0.311	C	S	.	.			trans	-71.9	156.7	-178.6	-64.4	-68.5	-65.8	0	0	113.1	Q65 C66 G68 S241 C247 E249 Q289 R294	Q65-Q71 PolarHBondContact O-NE2 2.89Å; C66-Q71 PolarHBondContact O-OE1 2.82Å; G68-Q71 WeakPolarHBondContact O-CG 3.24Å; Q71-S241 WeakPolarHBondContact CA-OG 3.38Å; Q71-C247 PolarHBondContact NE2-O 2.83Å; Q71-E249 VanDerWaalsContact NE2-CG 3.3Å; Q71-E249 PolarHBondContact NE2-OE1 3.18Å; Q71-Q289 HydrophobicContact CB-CB 3.87Å; Q71-Q289 HydrophobicContact CB-CG 3.71Å; Q71-R294 VanDerWaalsContact O-CZ 3.3Å; Q71-R294 PolarHBondContact O-NH1 3.2Å; Q71-R294 PolarHBondContact O-NH2 3.18Å
72	S	98.9	Very high	97.7	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.296	C	S	.	.	S	Bend	trans	-121.6	157	174.4	-67.7	0	0	0	0	109.8	Y238 G240 S241 W253 R286	S72-Y238 VanDerWaalsContact CB-OH 3.32Å; S72-Y238 WeakPolarHBondContact CB-OH 3.22Å; S72-Y238 WeakPolarHBondContact OG-CE2 3.49Å; S72-Y238 PolarHBondContact OG-OH 2.84Å; S72-G240 WeakPolarHBondContact OG-CA 3.35Å; S72-S241 WeakPolarHBondContact CB-O 3.46Å; S72-S241 PolarHBondContact N-OG 3.27Å; S72-S241 PolarHBondContact OG-N 3.13Å; S72-S241 PolarHBondContact OG-O 3.36Å; S72-W253 PolarHBondContact OG-NE1 3.14Å; S72-W253 VanDerWaalsContact OG-NE1 3.1Å; S72-R286 VanDerWaalsContact O-CD 3.3Å; S72-R286 WeakPolarHBondContact O-CD 3.49Å; S72-R286 PolarHBondContact O-NH1 3.23Å
73	P	98.9	Very high	97.8	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	32%	0.316	C	S	.	.			cis	-77.4	172.2	0.6	34.8	-39.5	0	0	0	112.4	E147 Q289	P73-E147 VanDerWaalsContact CB-C 3.47Å; P73-E147 HydrophobicContact CB-CB 3.76Å; P73-E147 WeakPolarHBondContact CB-O 3.3Å; P73-E147 HydrophobicContact CG-CB 3.78Å; P73-E147 WeakPolarHBondContact CG-O 3.46Å; P73-Q289 VanDerWaalsContact O-CB 3.29Å; P73-Q289 WeakPolarHBondContact O-CB 3.46Å; P73-Q289 WeakPolarHBondContact O-CG 3.04Å; P73-Q289 PolarHBondContact O-N 3.33Å
74	V	98.9	Very high	97.8	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.318	C	S	.	.			trans	-131.1	159.5	175.2	-59.2	0	0	0	0	111.3	I76 H148 Y238 L291	V74-I76 HydrophobicContact CG2-CD1 3.78Å; V74-H148 PolarHBondContact N-CD2 2.99Å; V74-H148 PolarHBondContact O-CD2 3.45Å; V74-Y238 HydrophobicContact CG1-CE2 4.1Å; V74-Y238 HydrophobicContact CG2-CD1 4.39Å; V74-Y238 HydrophobicContact CG2-CD2 4.36Å; V74-Y238 HydrophobicContact CG2-CE1 3.93Å; V74-Y238 HydrophobicContact CG2-CE2 3.91Å; V74-L291 HydrophobicContact CB-CD1 4.34Å; V74-L291 HydrophobicContact CG1-CD1 4.18Å; V74-L291 HydrophobicContact CG2-CD1 4.24Å
75	N	98.8	Very high	97.6	Very high	48 Å²	48	61.2 Å²	61.2	26%	0.257	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	125.5	164.6	-178.4	36	0	0	0	110.6	V77 T149 D151 G152	N75-V77 PolarHBondContact O-N 2.77Å; N75-T149 VanDerWaalsContact CA-OG1 3.25Å; N75-T149 WeakPolarHBondContact CA-OG1 3.42Å; N75-T149 WeakPolarHBondContact CB-OG1 3.46Å; N75-T149 PolarHBondContact OD1-O 3.02Å; N75-T149 PolarHBondContact OD1-OG1 2.66Å; N75-D151 PolarHBondContact OD1-N 2.71Å; N75-G152 PolarHBondContact OD1-N 3.25Å
76	I	98.8	Very high	97.5	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	105.9	174.1	-53.2	-59.2	0	0	0	108.9	V74 T78 T81 T149 D151 F236 L255 V296	V74-I76 HydrophobicContact CG2-CD1 3.78Å; I76-T78 PolarHBondContact O-N 2.92Å; I76-T81 HydrophobicContact CG2-CG2 4Å; I76-T149 PolarHBondContact N-O 2.76Å; I76-D151 PolarHBondContact O-N 3.03Å; I76-F236 HydrophobicContact CG2-CB 4.46Å; I76-F236 HydrophobicContact CG2-CD1 3.64Å; I76-F236 HydrophobicContact CG2-CD2 4.05Å; I76-F236 HydrophobicContact CG2-CE1 3.8Å; I76-F236 HydrophobicContact CG2-CE2 4.19Å; I76-F236 HydrophobicContact CG2-CG 3.77Å; I76-F236 HydrophobicContact CG2-CZ 4.08Å; I76-L255 HydrophobicContact CD1-CD1 4.02Å; I76-L255 HydrophobicContact CG1-CD1 3.9Å; I76-V296 HydrophobicContact CD1-CB 4.49Å; I76-V296 HydrophobicContact CD1-CG1 3.87Å; I76-V296 HydrophobicContact CD1-CG2 3.81Å; I76-V296 HydrophobicContact CG2-CG1 4.14Å
77	V	98.4	Very high	97.5	Very high	53 Å²	53	61.2 Å²	61.2	32%	0.321	32%	0.315	S	S	.	.			trans	-86.2	100.1	172.4	-176.8	0	0	0	0	108.5	N75 K79 K80 T81 D151	N75-V77 PolarHBondContact O-N 2.77Å; V77-K79 VanDerWaalsContact C-N 3.27Å; V77-K79 PolarHBondContact O-N 2.78Å; V77-K80 HydrophobicContact CB-CB 4.21Å; V77-K80 HydrophobicContact CB-CD 4.25Å; V77-K80 HydrophobicContact CB-CG 4.29Å; V77-K80 HydrophobicContact CG1-CB 4.18Å; V77-K80 HydrophobicContact CG1-CD 3.97Å; V77-K80 HydrophobicContact CG1-CG 3.81Å; V77-K80 PolarHBondContact O-N 3.47Å; V77-T81 PolarHBondContact O-N 2.69Å; V77-D151 WeakPolarHBondContact CA-OD1 3.13Å
78	T	97.3	Very high	97.3	Very high	46 Å²	46	62.4 Å²	62.4	28%	0.282	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-56	-41.9	-168.1	58	0	0	0	0	112.1	I76 K80 T81 I150 D151 F236	I76-T78 PolarHBondContact O-N 2.92Å; T78-K80 PolarHBondContact O-N 3.41Å; T78-T81 WeakPolarHBondContact O-CB 3.49Å; T78-T81 WeakPolarHBondContact O-CG2 3.29Å; T78-T81 PolarHBondContact O-N 3.31Å; T78-T81 VanDerWaalsContact O-N 3.14Å; T78-T81 PolarHBondContact O-OG1 3.24Å; T78-I150 HydrophobicContact CG2-CG2 3.54Å; T78-D151 WeakPolarHBondContact CB-OD2 3.25Å; T78-D151 WeakPolarHBondContact CG2-OD2 3.39Å; T78-D151 PolarHBondContact N-OD1 2.95Å; T78-D151 VanDerWaalsContact OG1-CG 3.32Å; T78-D151 PolarHBondContact OG1-OD1 3.28Å; T78-D151 PolarHBondContact OG1-OD2 3.24Å; T78-F236 HydrophobicContact CG2-CE1 4.42Å; T78-F236 HydrophobicContact CG2-CZ 4.04Å
79	K	97.1	Very high	97.2	Very high	201 Å²	201	63.1 Å²	63.1	87%	0.874	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-64.7	-19.5	177.6	-68.2	-177.7	179.2	175.3	0	114.6	V77	V77-K79 VanDerWaalsContact C-N 3.27Å; V77-K79 PolarHBondContact O-N 2.78Å
80	K	97.4	Very high	97.2	Very high	169 Å²	169	60 Å²	60	74%	0.735	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-99.7	-0.2	178.2	-65.2	-174.6	179	-178.2	0	112.9	V77 T78	V77-K80 HydrophobicContact CB-CB 4.21Å; V77-K80 HydrophobicContact CB-CD 4.25Å; V77-K80 HydrophobicContact CB-CG 4.29Å; V77-K80 HydrophobicContact CG1-CB 4.18Å; V77-K80 HydrophobicContact CG1-CD 3.97Å; V77-K80 HydrophobicContact CG1-CG 3.81Å; V77-K80 PolarHBondContact O-N 3.47Å; T78-K80 PolarHBondContact O-N 3.41Å
81	T	97.9	Very high	97.2	Very high	29 Å²	29	62.1 Å²	62.1	18%	0.178	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-71.4	146.6	178.2	64.2	0	0	0	0	111.3	I76 V77 T78 F236 V296	I76-T81 HydrophobicContact CG2-CG2 4Å; V77-T81 PolarHBondContact O-N 2.69Å; T78-T81 WeakPolarHBondContact O-CB 3.49Å; T78-T81 WeakPolarHBondContact O-CG2 3.29Å; T78-T81 PolarHBondContact O-N 3.31Å; T78-T81 VanDerWaalsContact O-N 3.14Å; T78-T81 PolarHBondContact O-OG1 3.24Å; T81-F236 HydrophobicContact CG2-CD1 3.86Å; T81-F236 HydrophobicContact CG2-CE1 3.91Å; T81-V296 WeakPolarHBondContact CA-O 3.13Å; T81-V296 HydrophobicContact CG2-CB 4.18Å; T81-V296 HydrophobicContact CG2-CG1 3.87Å
82	V	97.5	Very high	97.2	Very high	66 Å²	66	63.9 Å²	63.9	40%	0.4	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	120.3	178.6	-177.7	0	0	0	0	108.8	D84 L295 V296 L297 Y298	V82-D84 PolarHBondContact O-N 2.85Å; V82-L295 HydrophobicContact CG2-CD1 4.49Å; V82-V296 PolarHBondContact N-O 2.81Å; V82-L297 HydrophobicContact CB-CD2 4.13Å; V82-L297 CarbonylContact O-C 3.58Å; V82-L297 VanDerWaalsContact O-CA 3.23Å; V82-L297 WeakPolarHBondContact O-CA 3.21Å; V82-Y298 PolarHBondContact O-N 3.19Å
83	K	96.4	Very high	97.2	Very high	156 Å²	156	67.1 Å²	67.1	68%	0.678	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.7	129.6	175.1	-70.1	-179.8	-179.4	174.4	0	109.9	Y298	K83-Y298 HydrophobicContact CG-CD1 4.26Å
84	D	95.6	Very high	97.1	Very high	30 Å²	30	69 Å²	69	16%	0.16	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	122.5	174.9	-170.3	-20.6	0	0	0	110.2	V82 H86 L87 L297 Y298	V82-D84 PolarHBondContact O-N 2.85Å; D84-H86 VanDerWaalsContact C-N 3.26Å; D84-H86 PolarHBondContact O-N 3.09Å; D84-H86 WeakPolarHBondContact OD1-CB 3.45Å; D84-H86 IonicContact OD1-CE1 3.89Å; D84-H86 IonicContact OD1-CG 3.79Å; D84-H86 PolarHBondContact OD1-N 2.69Å; D84-H86 IonicContact OD1-ND1 2.8Å; D84-H86 PolarHBondContact OD1-ND1 2.94Å; D84-L87 HydrophobicContact CB-CD1 4.02Å; D84-L87 HydrophobicContact CB-CG 3.95Å; D84-L87 PolarHBondContact O-N 2.93Å; D84-L297 HydrophobicContact CB-CB 4.36Å; D84-L297 HydrophobicContact CB-CD1 4.4Å; D84-Y298 PolarHBondContact N-O 2.72Å; D84-Y298 VanDerWaalsContact N-O 3.12Å
85	K	93.4	Very high	97.1	Very high	171 Å²	171	69.1 Å²	69.1	74%	0.743	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-17.9	-179	65.8	176.8	-178.3	176.3	0	113.4	L87	K85-L87 VanDerWaalsContact C-N 3.3Å
86	H	94.8	Very high	97.1	Very high	95 Å²	95	72.4 Å²	72.4	44%	0.44	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-16	178.4	-50.3	100	0	0	0	111.9	D84 T88 H124	D84-H86 VanDerWaalsContact C-N 3.26Å; D84-H86 PolarHBondContact O-N 3.09Å; D84-H86 WeakPolarHBondContact OD1-CB 3.45Å; D84-H86 IonicContact OD1-CE1 3.89Å; D84-H86 IonicContact OD1-CG 3.79Å; D84-H86 PolarHBondContact OD1-N 2.69Å; D84-H86 IonicContact OD1-ND1 2.8Å; D84-H86 PolarHBondContact OD1-ND1 2.94Å; H86-T88 PolarHBondContact O-N 2.84Å; H86-H124 HydrophobicContact CB-CB 4.3Å
87	L	96.8	Very high	97	Very high	6 Å²	6	77.9 Å²	77.9	3%	0.031	38%	0.379	C	S	.	.			trans	-74.4	76.4	172.7	-62.3	-176.8	0	0	0	110.8	D84 K85 H124 Y235 R237 L297 S299	D84-L87 HydrophobicContact CB-CD1 4.02Å; D84-L87 HydrophobicContact CB-CG 3.95Å; D84-L87 PolarHBondContact O-N 2.93Å; K85-L87 VanDerWaalsContact C-N 3.3Å; L87-H124 HydrophobicContact CD2-CB 3.83Å; L87-Y235 VanDerWaalsContact C-OH 3.3Å; L87-Y235 WeakPolarHBondContact CA-OH 3.5Å; L87-Y235 HydrophobicContact CB-CE2 4.1Å; L87-Y235 HydrophobicContact CD1-CE2 4.28Å; L87-Y235 HydrophobicContact CD2-CE2 4.22Å; L87-Y235 HydrophobicContact CG-CE2 4.43Å; L87-R237 HydrophobicContact CD1-CB 3.85Å; L87-R237 HydrophobicContact CD2-CB 4.12Å; L87-R237 HydrophobicContact CD2-CG 4.04Å; L87-L297 HydrophobicContact CD1-CB 3.64Å; L87-S299 WeakPolarHBondContact O-CB 3.36Å
88	T	94.8	Very high	97	Very high	66 Å²	66	78.1 Å²	78.1	41%	0.405	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-80	170.2	174.5	56.5	0	0	0	0	111.6	H86 L90 G123 Y235	H86-T88 PolarHBondContact O-N 2.84Å; T88-L90 PolarHBondContact O-N 3.05Å; T88-G123 WeakPolarHBondContact O-CA 3.34Å; T88-G123 PolarHBondContact OG1-N 2.95Å; T88-Y235 PolarHBondContact O-OH 2.56Å
89	P	95.7	Very high	96.9	Very high	46 Å²	46	77.2 Å²	77.2	30%	0.299	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-54.7	137.3	171.8	-27	36.4	0	0	0	112.1
90	L	97.3	Very high	96.9	Very high	8 Å²	8	72.2 Å²	72.2	4%	0.042	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	150.3	170.7	-75.3	98	0	0	0	110.3	T88 F92 I120 S121 L125 L184 Y235 T254 F256	T88-L90 PolarHBondContact O-N 3.05Å; L90-F92 HydrophobicContact CB-CD2 4.48Å; L90-F92 HydrophobicContact CB-CE2 3.8Å; L90-F92 HydrophobicContact CB-CZ 3.84Å; L90-I120 HydrophobicContact CD2-CB 4.44Å; L90-I120 HydrophobicContact CD2-CD1 4.2Å; L90-S121 WeakPolarHBondContact CA-O 3.41Å; L90-L125 HydrophobicContact CD2-CD1 3.84Å; L90-L184 HydrophobicContact CD2-CD2 4.07Å; L90-Y235 HydrophobicContact CD1-CD1 4.25Å; L90-Y235 HydrophobicContact CD1-CE1 3.78Å; L90-Y235 HydrophobicContact CD1-CE2 4.47Å; L90-T254 HydrophobicContact CD1-CG2 4.05Å; L90-F256 HydrophobicContact CD1-CE1 4.25Å; L90-F256 HydrophobicContact CD1-CZ 4.01Å
91	Q	97.9	Very high	96.9	Very high	112 Å²	112	64.4 Å²	64.4	52%	0.523	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	130.2	171.3	-56.4	-57.1	-45	0	0	108.4	I120 S121	Q91-I120 WeakPolarHBondContact O-CA 3.48Å; Q91-S121 PolarHBondContact N-O 3.35Å; Q91-S121 PolarHBondContact O-N 3.46Å; Q91-S121 VanDerWaalsContact O-N 3.08Å
92	F	98.4	Very high	96.9	Very high	40 Å²	40	65.5 Å²	65.5	18%	0.175	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	116.9	-176.8	-61.5	-90.3	0	0	0	109.4	L90 Y95 I120 L184 L229 L232 F256	L90-F92 HydrophobicContact CB-CD2 4.48Å; L90-F92 HydrophobicContact CB-CE2 3.8Å; L90-F92 HydrophobicContact CB-CZ 3.84Å; F92-Y95 HydrophobicContact CB-CD2 3.86Å; F92-Y95 HydrophobicContact CB-CE2 4.42Å; F92-Y95 HydrophobicContact CB-CG 4.01Å; F92-Y95 AromaticContact CD1-CD1 3.91Å; F92-Y95 HydrophobicContact CD1-CD1 3.91Å; F92-Y95 AromaticContact CD1-CD2 3.92Å; F92-Y95 HydrophobicContact CD1-CD2 3.92Å; F92-Y95 AromaticContact CD1-CE1 3.72Å; F92-Y95 HydrophobicContact CD1-CE1 3.72Å; F92-Y95 AromaticContact CD1-CE2 3.76Å; F92-Y95 HydrophobicContact CD1-CE2 3.76Å; F92-Y95 HydrophobicContact CD1-CG 4Å; F92-Y95 AromaticContact CD1-CZ 3.65Å; F92-Y95 HydrophobicContact CE1-CE1 4.12Å; F92-Y95 HydrophobicContact CG-CD2 4.4Å; F92-Y95 HydrophobicContact CG-CG 4.44Å; F92-I120 HydrophobicContact CD1-CG2 3.93Å; F92-I120 HydrophobicContact CE1-CG2 4.24Å; F92-L184 HydrophobicContact CE1-CD1 3.91Å; F92-L229 HydrophobicContact CB-CD1 4.2Å; F92-L229 HydrophobicContact CB-CD2 4.48Å; F92-L229 HydrophobicContact CD1-CD2 4.25Å; F92-L229 HydrophobicContact CD2-CD1 4.35Å; F92-L229 HydrophobicContact CD2-CD2 3.85Å; F92-L229 HydrophobicContact CE1-CD2 4.45Å; F92-L229 HydrophobicContact CE2-CD2 4.07Å; F92-L229 HydrophobicContact CG-CD1 4.43Å; F92-L229 HydrophobicContact CG-CD2 3.94Å; F92-L229 HydrophobicContact CZ-CD2 4.36Å; F92-L232 HydrophobicContact CE1-CD1 4.45Å; F92-L232 HydrophobicContact CE2-CD1 4.23Å; F92-L232 HydrophobicContact CZ-CD1 3.78Å; F92-F256 HydrophobicContact CZ-CZ 4.26Å
93	V	98.6	Very high	96.9	Very high	67 Å²	67	62.4 Å²	62.4	41%	0.406	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	128	179	176.7	0	0	0	0	109	Y95 V119	V93-Y95 PolarHBondContact O-N 2.6Å; V93-V119 HydrophobicContact CB-CB 4.1Å; V93-V119 PolarHBondContact N-O 3.03Å; V93-V119 PolarHBondContact O-N 2.86Å; V93-V119 VanDerWaalsContact O-N 3.13Å
94	N	98.4	Very high	97	Very high	41 Å²	41	56.6 Å²	56.6	22%	0.219	30%	0.299	C	S	.	.	S	Bend	trans	62.1	13.1	177.2	-61.3	-37.7	0	0	0	116.4	H96 K97 G117	N94-H96 PolarHBondContact O-N 3.46Å; N94-K97 HydrophobicContact CB-CD 3.92Å; N94-K97 HydrophobicContact CB-CG 4.18Å; N94-K97 WeakPolarHBondContact O-CB 3.48Å; N94-K97 PolarHBondContact O-N 3.2Å; N94-K97 WeakPolarHBondContact OD1-CD 3.17Å; N94-K97 WeakPolarHBondContact OD1-CE 3.21Å; N94-K97 PolarHBondContact OD1-NZ 3.12Å; N94-G117 PolarHBondContact ND2-O 3.17Å
95	Y	98.3	Very high	97.1	Very high	2 Å²	2	55.2 Å²	55.2	1%	0.008	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-28.9	175.8	-94.3	-115.7	0	0	0	114	F92 V93 I118 I120 I161 H163 L184 S221 L222 E223 I226	F92-Y95 HydrophobicContact CB-CD2 3.86Å; F92-Y95 HydrophobicContact CB-CE2 4.42Å; F92-Y95 HydrophobicContact CB-CG 4.01Å; F92-Y95 AromaticContact CD1-CD1 3.91Å; F92-Y95 HydrophobicContact CD1-CD1 3.91Å; F92-Y95 AromaticContact CD1-CD2 3.92Å; F92-Y95 HydrophobicContact CD1-CD2 3.92Å; F92-Y95 AromaticContact CD1-CE1 3.72Å; F92-Y95 HydrophobicContact CD1-CE1 3.72Å; F92-Y95 AromaticContact CD1-CE2 3.76Å; F92-Y95 HydrophobicContact CD1-CE2 3.76Å; F92-Y95 HydrophobicContact CD1-CG 4Å; F92-Y95 AromaticContact CD1-CZ 3.65Å; F92-Y95 HydrophobicContact CE1-CE1 4.12Å; F92-Y95 HydrophobicContact CG-CD2 4.4Å; F92-Y95 HydrophobicContact CG-CG 4.44Å; V93-Y95 PolarHBondContact O-N 2.6Å; Y95-I118 HydrophobicContact CD2-CG2 3.46Å; Y95-I118 VanDerWaalsContact CD2-CG2 3.46Å; Y95-I118 HydrophobicContact CE2-CG2 3.37Å; Y95-I118 HydrophobicContact CG-CG2 4.34Å; Y95-I120 HydrophobicContact CE2-CG2 3.55Å; Y95-I120 WeakPolarHBondContact OH-CG2 3.16Å; Y95-I161 HydrophobicContact CE1-CD1 4.3Å; Y95-H163 AromaticContact CZ-NE2 3.84Å; Y95-H163 PolarHBondContact OH-CE1 2.84Å; Y95-H163 PolarHBondContact OH-NE2 3.38Å; Y95-L184 WeakPolarHBondContact OH-CD1 3.2Å; Y95-S221 WeakPolarHBondContact O-CB 3.36Å; Y95-L222 HydrophobicContact CD1-CB 3.51Å; Y95-L222 HydrophobicContact CD1-CD1 4Å; Y95-L222 HydrophobicContact CD1-CG 4.45Å; Y95-L222 HydrophobicContact CE1-CB 3.86Å; Y95-L222 HydrophobicContact CE1-CD1 3.65Å; Y95-L222 HydrophobicContact CE1-CG 4.43Å; Y95-L222 HydrophobicContact CE2-CD1 4.19Å; Y95-L222 HydrophobicContact CG-CB 4.14Å; Y95-L222 HydrophobicContact CG-CD1 4.43Å; Y95-L222 PolarHBondContact O-N 3.28Å; Y95-E223 WeakPolarHBondContact O-CB 3.26Å; Y95-E223 PolarHBondContact O-N 2.93Å; Y95-I226 HydrophobicContact CD1-CD1 3.66Å; Y95-I226 HydrophobicContact CE1-CD1 3.9Å
96	H	97.8	Very high	97.3	Very high	117 Å²	117	49.8 Å²	49.8	54%	0.542	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-17.5	176.8	61.9	-87.9	0	0	0	113.6	N94 A98 S221 E223	N94-H96 PolarHBondContact O-N 3.46Å; H96-A98 PolarHBondContact O-N 3.06Å; H96-S221 WeakPolarHBondContact O-CB 3.2Å; H96-E223 WeakPolarHBondContact CB-OE2 3.47Å
97	K	97.7	Very high	97.4	Very high	115 Å²	115	45.3 Å²	45.3	50%	0.5	25%	0.25	S	S	.	.			trans	-71.8	117.4	-175.1	-70.6	-170.3	175	163.7	0	109.4	N94 S221	N94-K97 HydrophobicContact CB-CD 3.92Å; N94-K97 HydrophobicContact CB-CG 4.18Å; N94-K97 WeakPolarHBondContact O-CB 3.48Å; N94-K97 PolarHBondContact O-N 3.2Å; N94-K97 WeakPolarHBondContact OD1-CD 3.17Å; N94-K97 WeakPolarHBondContact OD1-CE 3.21Å; N94-K97 PolarHBondContact OD1-NZ 3.12Å; K97-S221 WeakPolarHBondContact O-CB 3.35Å
98	A	97.1	Very high	97.4	Very high	57 Å²	57	47.3 Å²	47.3	47%	0.471	26%	0.26	S	S	.	.			trans	-75.5	144.4	174.4	0	0	0	0	0	110.4	H96 D219 V220	H96-A98 PolarHBondContact O-N 3.06Å; A98-D219 HydrophobicContact CB-CB 4.48Å; A98-V220 WeakPolarHBondContact CA-O 3.29Å
99	S	96.3	Very high	97.6	Very high	28 Å²	28	44.5 Å²	44.5	20%	0.196	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	160	179.9	61.7	0	0	0	0	110.9	P115 D219 V220	S99-P115 WeakPolarHBondContact OG-CG 3.39Å; S99-D219 PolarHBondContact O-N 3.41Å; S99-V220 PolarHBondContact N-O 2.03Å; S99-V220 PolarHBondContact O-N 2.95Å; S99-V220 PolarHBondContact OG-O 3.41Å
100	T	97	Very high	97.7	Very high	96 Å²	96	42.3 Å²	42.3	59%	0.589	23%	0.228	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-76.4	122.4	167.4	-58.3	0	0	0	0	109.2	T216 L217	T100-T216 HydrophobicContact CG2-CG2 3.25Å; T100-L217 WeakPolarHBondContact CA-O 3.46Å
101	V	96.9	Very high	97.7	Very high	5 Å²	5	44 Å²	44	3%	0.03	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	151.9	-178.1	-62.6	0	0	0	0	111	L112 L217 V220	V101-L112 HydrophobicContact CB-CD2 4.49Å; V101-L112 HydrophobicContact CG2-CD2 3.78Å; V101-L217 HydrophobicContact CG2-CB 3.92Å; V101-L217 PolarHBondContact N-O 2.97Å; V101-L217 PolarHBondContact O-N 3.32Å; V101-V220 HydrophobicContact CG1-CB 4.48Å; V101-V220 HydrophobicContact CG2-CB 3.7Å; V101-V220 HydrophobicContact CG2-CG1 4.1Å; V101-V220 HydrophobicContact CG2-CG2 3.75Å
102	T	97.6	Very high	97.7	Very high	52 Å²	52	38.7 Å²	38.7	32%	0.319	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	123.7	173.5	-49.3	0	0	0	0	108.7	I104 L112 D113 N214	T102-I104 HydrophobicContact CG2-CD1 3.71Å; T102-I104 HydrophobicContact CG2-CG1 3.53Å; T102-L112 WeakPolarHBondContact O-CA 3.42Å; T102-D113 PolarHBondContact O-N 2.88Å; T102-N214 HydrophobicContact CG2-CB 3.93Å
103	F	97.8	Very high	97.6	Very high	1 Å²	1	39.9 Å²	39.9	0%	0.004	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	120.4	175.6	-172.3	-140.1	0	0	0	109.5	V110 Q111 L112 L201 A204 L205 I208 N214 A215 L217	F103-V110 HydrophobicContact CD2-CB 4.43Å; F103-V110 HydrophobicContact CE2-CB 3.54Å; F103-V110 HydrophobicContact CE2-CG1 4.15Å; F103-V110 HydrophobicContact CE2-CG2 3.88Å; F103-V110 HydrophobicContact CZ-CB 3.88Å; F103-V110 HydrophobicContact CZ-CG1 4.01Å; F103-V110 HydrophobicContact CZ-CG2 4.11Å; F103-Q111 WeakPolarHBondContact CA-O 3.13Å; F103-L112 HydrophobicContact CB-CD2 3.67Å; F103-L112 HydrophobicContact CD2-CD2 3.41Å; F103-L112 VanDerWaalsContact CD2-CD2 3.41Å; F103-L112 HydrophobicContact CD2-CG 3.99Å; F103-L112 HydrophobicContact CE2-CD2 4.3Å; F103-L112 HydrophobicContact CG-CD2 3.87Å; F103-L201 WeakPolarHBondContact CE1-O 3.38Å; F103-A204 HydrophobicContact CD1-CB 3.85Å; F103-A204 HydrophobicContact CE1-CB 4.19Å; F103-L205 HydrophobicContact CE1-CD2 3.81Å; F103-L205 HydrophobicContact CE1-CG 4.35Å; F103-L205 HydrophobicContact CZ-CD2 3.74Å; F103-I208 HydrophobicContact CD1-CD1 3.55Å; F103-I208 HydrophobicContact CD1-CG1 4.33Å; F103-I208 HydrophobicContact CD2-CD1 4.31Å; F103-I208 HydrophobicContact CE1-CD1 3.43Å; F103-I208 VanDerWaalsContact CE1-CD1 3.43Å; F103-I208 HydrophobicContact CE1-CG1 4.23Å; F103-I208 HydrophobicContact CE2-CD1 4.24Å; F103-I208 HydrophobicContact CG-CD1 4Å; F103-I208 HydrophobicContact CZ-CD1 3.81Å; F103-N214 CarbonylContact O-C 3.6Å; F103-N214 WeakPolarHBondContact O-CA 3.19Å; F103-A215 PolarHBondContact N-O 2.8Å; F103-A215 PolarHBondContact O-N 3.34Å; F103-L217 HydrophobicContact CB-CD1 3.76Å; F103-L217 HydrophobicContact CB-CG 4.13Å; F103-L217 HydrophobicContact CD1-CD1 4.02Å; F103-L217 HydrophobicContact CG-CD1 3.93Å
104	I	98.2	Very high	97.5	Very high	34 Å²	34	37.9 Å²	37.9	17%	0.174	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	135.7	-165.4	-50.1	175.7	0	0	0	109.5	T102 V110 Q111 N214	T102-I104 HydrophobicContact CG2-CD1 3.71Å; T102-I104 HydrophobicContact CG2-CG1 3.53Å; I104-V110 CarbonylContact O-C 3.56Å; I104-V110 VanDerWaalsContact O-CA 3.28Å; I104-V110 WeakPolarHBondContact O-CA 3.29Å; I104-Q111 PolarHBondContact N-O 3.11Å; I104-Q111 PolarHBondContact O-N 3.27Å; I104-N214 HydrophobicContact CG1-CB 3.96Å
105	N	98.4	Very high	97.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	105.8	157.1	174.1	-12.7	0	0	0	107.6	G107 I208 I209 P211 T212 S213 H274 M281	N105-G107 PolarHBondContact O-N 3.02Å; N105-G107 PolarHBondContact OD1-N 3.38Å; N105-I208 HydrophobicContact CB-CB 4.18Å; N105-I208 HydrophobicContact CB-CD1 4.32Å; N105-I208 WeakPolarHBondContact CB-O 3.5Å; N105-I208 PolarHBondContact ND2-O 2.77Å; N105-I209 PolarHBondContact ND2-O 3.36Å; N105-P211 CarbonylContact O-C 3.48Å; N105-T212 PolarHBondContact O-N 2.85Å; N105-S213 PolarHBondContact N-O 3.07Å; N105-H274 PolarHBondContact ND2-O 3.22Å; N105-M281 WeakPolarHBondContact OD1-CE 3.43Å
106	N	97	Very high	97.2	Very high	57 Å²	57	44 Å²	44	31%	0.305	25%	0.248	S	C	.	.			trans	-87.1	9.7	-176	71.2	10.8	0	0	0	113.4	H108 T109 Q111	N106-H108 VanDerWaalsContact C-N 3.31Å; N106-H108 PolarHBondContact OD1-N 3.05Å; N106-T109 PolarHBondContact N-O 3.15Å; N106-T109 VanDerWaalsContact N-O 3.08Å; N106-T109 WeakPolarHBondContact ND2-CG2 3.16Å; N106-T109 WeakPolarHBondContact OD1-CG2 3.33Å; N106-T109 PolarHBondContact OD1-N 3Å; N106-T109 PolarHBondContact OD1-O 3.09Å; N106-Q111 PolarHBondContact ND2-OE1 3.25Å
107	G	97.2	Very high	97.1	Very high	2 Å²	2	40.1 Å²	40.1	2%	0.021	24%	0.24	C	C	.	.	S	Bend	trans	88.1	-10.2	-175.9	0	0	0	0	0	114.6	N105 F275 P276	N105-G107 PolarHBondContact O-N 3.02Å; N105-G107 PolarHBondContact OD1-N 3.38Å; G107-F275 WeakPolarHBondContact O-CD1 3.47Å; G107-P276 WeakPolarHBondContact O-CD 3.22Å
108	H	97.1	Very high	97.2	Very high	48 Å²	48	35.1 Å²	35.1	22%	0.222	22%	0.219	C	C	.	.	S	Bend	trans	-128.3	-22.6	178.5	-58.2	-74.1	0	0	0	113.4	W41 Y43 N106	W41-H108 AromaticContact CE2-CE1 3.63Å; W41-H108 AromaticContact CE2-ND1 3.91Å; W41-H108 AromaticContact CE2-NE2 3.86Å; W41-H108 HydrophobicContact CH2-CB 3.72Å; W41-H108 AromaticContact CH2-CE1 3.92Å; W41-H108 AromaticContact CH2-CG 3.46Å; W41-H108 VanDerWaalsContact CH2-CG 3.46Å; W41-H108 AromaticContact CH2-ND1 3.33Å; W41-H108 VanDerWaalsContact CH2-ND1 3.33Å; W41-H108 WeakPolarHBondContact CH2-ND1 3.43Å; W41-H108 HydrophobicContact CZ2-CB 4.06Å; W41-H108 AromaticContact CZ2-CD2 3.61Å; W41-H108 AromaticContact CZ2-CE1 3.54Å; W41-H108 AromaticContact CZ2-CG 3.43Å; W41-H108 VanDerWaalsContact CZ2-CG 3.43Å; W41-H108 AromaticContact CZ2-ND1 3.4Å; W41-H108 WeakPolarHBondContact CZ2-ND1 3.33Å; W41-H108 AromaticContact CZ2-NE2 3.67Å; W41-H108 AromaticContact CZ3-ND1 3.78Å; Y43-H108 HydrophobicContact CE2-CB 4.13Å; Y43-H108 WeakPolarHBondContact CE2-O 3.3Å; N106-H108 VanDerWaalsContact C-N 3.31Å; N106-H108 PolarHBondContact OD1-N 3.05Å
109	T	98.3	Very high	97.2	Very high	7 Å²	7	33.1 Å²	33.1	4%	0.043	20%	0.201	C	C	.	.	S	Bend	trans	-161.9	176.8	-179	179.7	0	0	0	0	109.2	N106 H135 L136	N106-T109 PolarHBondContact N-O 3.15Å; N106-T109 VanDerWaalsContact N-O 3.08Å; N106-T109 WeakPolarHBondContact ND2-CG2 3.16Å; N106-T109 WeakPolarHBondContact OD1-CG2 3.33Å; N106-T109 PolarHBondContact OD1-N 3Å; N106-T109 PolarHBondContact OD1-O 3.09Å; T109-H135 HydrophobicContact CG2-CB 3.83Å; T109-L136 PolarHBondContact OG1-N 3.11Å; T109-L136 PolarHBondContact OG1-O 3.26Å
110	V	98.1	Very high	97.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	136.6	156.9	-65.7	0	0	0	0	110.8	F103 I104 H135 L136 W138 L205 I208 F270 L273	F103-V110 HydrophobicContact CD2-CB 4.43Å; F103-V110 HydrophobicContact CE2-CB 3.54Å; F103-V110 HydrophobicContact CE2-CG1 4.15Å; F103-V110 HydrophobicContact CE2-CG2 3.88Å; F103-V110 HydrophobicContact CZ-CB 3.88Å; F103-V110 HydrophobicContact CZ-CG1 4.01Å; F103-V110 HydrophobicContact CZ-CG2 4.11Å; I104-V110 CarbonylContact O-C 3.56Å; I104-V110 VanDerWaalsContact O-CA 3.28Å; I104-V110 WeakPolarHBondContact O-CA 3.29Å; V110-H135 VanDerWaalsContact O-CA 3.24Å; V110-H135 WeakPolarHBondContact O-CA 3.49Å; V110-H135 WeakPolarHBondContact O-CB 3.42Å; V110-L136 HydrophobicContact CG2-CB 4.19Å; V110-L136 HydrophobicContact CG2-CD1 3.55Å; V110-L136 HydrophobicContact CG2-CG 4.44Å; V110-L136 PolarHBondContact O-N 2.97Å; V110-W138 HydrophobicContact CG1-CH2 4.12Å; V110-W138 HydrophobicContact CG2-CH2 4.14Å; V110-W138 HydrophobicContact CG2-CZ3 3.78Å; V110-L205 HydrophobicContact CG1-CD2 4.06Å; V110-I208 HydrophobicContact CB-CD1 4.49Å; V110-I208 HydrophobicContact CG1-CD1 3.74Å; V110-F270 HydrophobicContact CG2-CD1 4.01Å; V110-F270 HydrophobicContact CG2-CE1 3.87Å; V110-L273 HydrophobicContact CG1-CD1 3.16Å
111	Q	98.3	Very high	97.4	Very high	42 Å²	42	28.5 Å²	28.5	20%	0.196	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	140.6	-178.1	-176.3	176	-57.1	0	0	110.8	F103 I104 N106 D113 Q133 L134	F103-Q111 WeakPolarHBondContact CA-O 3.13Å; I104-Q111 PolarHBondContact N-O 3.11Å; I104-Q111 PolarHBondContact O-N 3.27Å; N106-Q111 PolarHBondContact ND2-OE1 3.25Å; Q111-D113 PolarHBondContact NE2-OD1 2.84Å; Q111-Q133 HydrophobicContact CG-CB 4.09Å; Q111-L134 CarbonylContact C-O 3.54Å; Q111-L134 VanDerWaalsContact CA-O 3.32Å; Q111-L134 WeakPolarHBondContact CA-O 3.44Å
112	L	98.2	Very high	97.4	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	122.8	163.4	-66.1	175.4	0	0	0	109.3	V101 T102 F103 Q133 L134 L201 L217 V220 L225	V101-L112 HydrophobicContact CB-CD2 4.49Å; V101-L112 HydrophobicContact CG2-CD2 3.78Å; T102-L112 WeakPolarHBondContact O-CA 3.42Å; F103-L112 HydrophobicContact CB-CD2 3.67Å; F103-L112 HydrophobicContact CD2-CD2 3.41Å; F103-L112 VanDerWaalsContact CD2-CD2 3.41Å; F103-L112 HydrophobicContact CD2-CG 3.99Å; F103-L112 HydrophobicContact CE2-CD2 4.3Å; F103-L112 HydrophobicContact CG-CD2 3.87Å; L112-Q133 VanDerWaalsContact O-CA 3.26Å; L112-Q133 WeakPolarHBondContact O-CA 3.36Å; L112-L134 HydrophobicContact CB-CB 4.39Å; L112-L134 HydrophobicContact CD1-CD2 4.22Å; L112-L134 PolarHBondContact N-O 2.7Å; L112-L134 PolarHBondContact O-N 3.23Å; L112-L201 HydrophobicContact CD1-CD2 4.37Å; L112-L217 HydrophobicContact CD2-CD1 4.15Å; L112-V220 HydrophobicContact CD1-CG1 4.49Å; L112-L225 HydrophobicContact CD1-CD1 3.8Å
113	D	95.6	Very high	97.3	Very high	66 Å²	66	27.1 Å²	27.1	35%	0.353	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	122.9	169.1	-69	-19.3	0	0	0	109.2	T102 Q111	T102-D113 PolarHBondContact O-N 2.88Å; Q111-D113 PolarHBondContact NE2-OD1 2.84Å
114	L	96.4	Very high	97.3	Very high	24 Å²	24	32.6 Å²	32.6	13%	0.126	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-94.4	140.5	-172	-62.8	175.3	0	0	0	111.3	I118 A131 I132 L134 I161 L222	L114-I118 HydrophobicContact CB-CD1 4.43Å; L114-A131 HydrophobicContact CD1-CB 3.71Å; L114-I132 PolarHBondContact N-O 2.83Å; L114-I132 VanDerWaalsContact N-O 3.14Å; L114-L134 HydrophobicContact CD1-CB 4.4Å; L114-I161 HydrophobicContact CD1-CG2 4.14Å; L114-L222 HydrophobicContact CD1-CD1 4.03Å; L114-L222 HydrophobicContact CD1-CD2 4.15Å; L114-L222 HydrophobicContact CD2-CD2 3.69Å; L114-L222 HydrophobicContact CD2-CG 4.18Å
115	P	94.6	Very high	97.2	Very high	40 Å²	40	32 Å²	32	26%	0.26	19%	0.192	S	C	.	.	P	Polyproline II helix	trans	-66.8	156.1	175.9	32.6	-39.1	0	0	0	110.9	S99 I118	S99-P115 WeakPolarHBondContact OG-CG 3.39Å; P115-I118 HydrophobicContact CG-CD1 3.88Å
116	P	95.5	Very high	97.1	Very high	131 Å²	131	35.7 Å²	35.7	85%	0.851	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	158.4	175.4	29.3	-35.9	0	0	0	111.8
117	G	96.3	Very high	97.2	Very high	37 Å²	37	34.6 Å²	34.6	38%	0.381	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.2	-1.1	173	0	0	0	0	0	115.2	N94	N94-G117 PolarHBondContact ND2-O 3.17Å
118	I	98.4	Very high	97.2	Very high	9 Å²	9	37.8 Å²	37.8	5%	0.046	24%	0.238	C	C	.	.			trans	-82.9	121.5	167.1	-56.6	167	0	0	0	108.5	Y95 L114 P115 K130 A131 L222	Y95-I118 HydrophobicContact CD2-CG2 3.46Å; Y95-I118 VanDerWaalsContact CD2-CG2 3.46Å; Y95-I118 HydrophobicContact CE2-CG2 3.37Å; Y95-I118 HydrophobicContact CG-CG2 4.34Å; L114-I118 HydrophobicContact CB-CD1 4.43Å; P115-I118 HydrophobicContact CG-CD1 3.88Å; I118-K130 CarbonylContact O-C 3.53Å; I118-K130 WeakPolarHBondContact O-CA 3.32Å; I118-A131 HydrophobicContact CB-CB 3.99Å; I118-A131 HydrophobicContact CG2-CB 3.92Å; I118-A131 PolarHBondContact O-N 3.27Å; I118-L222 HydrophobicContact CD1-CD1 4.2Å; I118-L222 HydrophobicContact CD1-CG 4.41Å; I118-L222 HydrophobicContact CG2-CD1 3.78Å
119	V	98.8	Very high	97.3	Very high	16 Å²	16	35.6 Å²	35.6	10%	0.097	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	144.3	-170.1	178.9	0	0	0	0	110.9	V93 N128 Y129 K130	V93-V119 HydrophobicContact CB-CB 4.1Å; V93-V119 PolarHBondContact N-O 3.03Å; V93-V119 PolarHBondContact O-N 2.86Å; V93-V119 VanDerWaalsContact O-N 3.13Å; V119-N128 HydrophobicContact CG1-CB 3.91Å; V119-Y129 CarbonylContact C-O 3.52Å; V119-Y129 VanDerWaalsContact CA-O 3.31Å; V119-Y129 WeakPolarHBondContact CA-O 3.26Å; V119-K130 HydrophobicContact CG2-CB 4.28Å
120	I	98.8	Very high	97.3	Very high	0 Å²	0	38 Å²	38	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	148.8	167.2	63.9	174	0	0	0	111.2	L90 Q91 F92 Y95 L125 N128 Y129 H163 A182 L184	L90-I120 HydrophobicContact CD2-CB 4.44Å; L90-I120 HydrophobicContact CD2-CD1 4.2Å; Q91-I120 WeakPolarHBondContact O-CA 3.48Å; F92-I120 HydrophobicContact CD1-CG2 3.93Å; F92-I120 HydrophobicContact CE1-CG2 4.24Å; Y95-I120 HydrophobicContact CE2-CG2 3.55Å; Y95-I120 WeakPolarHBondContact OH-CG2 3.16Å; I120-L125 HydrophobicContact CD1-CD1 3.94Å; I120-L125 HydrophobicContact CG1-CD1 4.16Å; I120-N128 WeakPolarHBondContact O-CA 3.35Å; I120-Y129 PolarHBondContact N-O 2.89Å; I120-Y129 PolarHBondContact O-N 2.72Å; I120-H163 HydrophobicContact CD1-CB 4.37Å; I120-A182 HydrophobicContact CD1-CB 4.22Å; I120-L184 HydrophobicContact CD1-CD1 4.3Å; I120-L184 HydrophobicContact CD1-CD2 3.95Å; I120-L184 HydrophobicContact CD1-CG 4.14Å; I120-L184 HydrophobicContact CG2-CD1 4.32Å
121	S	98.6	Very high	97.4	Very high	26 Å²	26	38.2 Å²	38.2	18%	0.182	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	-176	171.8	68.6	0	0	0	0	110.6	L90 Q91 N128	L90-S121 WeakPolarHBondContact CA-O 3.41Å; Q91-S121 PolarHBondContact N-O 3.35Å; Q91-S121 PolarHBondContact O-N 3.46Å; Q91-S121 VanDerWaalsContact O-N 3.08Å; S121-N128 WeakPolarHBondContact CB-OD1 3.3Å
122	G	96.9	Very high	97.4	Very high	28 Å²	28	38.4 Å²	38.4	29%	0.289	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	71.6	-163.6	-176.7	0	0	0	0	0	112.8	H124 L125	G122-H124 PolarHBondContact O-N 2.8Å; G122-H124 VanDerWaalsContact O-N 3.12Å; G122-L125 WeakPolarHBondContact O-CB 3.32Å; G122-L125 WeakPolarHBondContact O-CG 3.33Å; G122-L125 PolarHBondContact O-N 3.48Å
123	G	95.6	Very high	97.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	35.5	-177.5	0	0	0	0	0	114.3	T88 L125 Y235 R237	T88-G123 WeakPolarHBondContact O-CA 3.34Å; T88-G123 PolarHBondContact OG1-N 2.95Å; G123-L125 PolarHBondContact O-N 3.01Å; G123-Y235 VanDerWaalsContact CA-OH 3.29Å; G123-Y235 WeakPolarHBondContact CA-OH 3.33Å; G123-R237 PolarHBondContact O-NH1 3.44Å; G123-R237 PolarHBondContact O-NH2 2.96Å
124	H	96.1	Very high	97.5	Very high	117 Å²	117	36.4 Å²	36.4	54%	0.542	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	25.5	-175.4	-155.1	56	0	0	0	115.5	H86 L87 G122	H86-H124 HydrophobicContact CB-CB 4.3Å; L87-H124 HydrophobicContact CD2-CB 3.83Å; G122-H124 PolarHBondContact O-N 2.8Å; G122-H124 VanDerWaalsContact O-N 3.12Å
125	L	97.9	Very high	97.6	Very high	20 Å²	20	36.2 Å²	36.2	11%	0.105	23%	0.228	C	C	.	.			trans	-70.8	141.9	166.3	-68.4	174.6	0	0	0	110	L90 I120 G122 G123 A127 Y129 A182 V252	L90-L125 HydrophobicContact CD2-CD1 3.84Å; I120-L125 HydrophobicContact CD1-CD1 3.94Å; I120-L125 HydrophobicContact CG1-CD1 4.16Å; G122-L125 WeakPolarHBondContact O-CB 3.32Å; G122-L125 WeakPolarHBondContact O-CG 3.33Å; G122-L125 PolarHBondContact O-N 3.48Å; G123-L125 PolarHBondContact O-N 3.01Å; L125-A127 PolarHBondContact O-N 3Å; L125-Y129 HydrophobicContact CB-CD2 4.31Å; L125-Y129 HydrophobicContact CB-CE2 3.9Å; L125-Y129 HydrophobicContact CD1-CD2 4.16Å; L125-Y129 HydrophobicContact CD1-CE2 4.46Å; L125-Y129 HydrophobicContact CD2-CE2 4.37Å; L125-Y129 HydrophobicContact CG-CE2 4.48Å; L125-A182 HydrophobicContact CD2-CB 4.24Å; L125-V252 HydrophobicContact CD2-CB 4.43Å; L125-V252 HydrophobicContact CD2-CG1 3.94Å
126	A	95.9	Very high	97.8	Very high	79 Å²	79	34.4 Å²	34.4	65%	0.653	22%	0.216	S	C	*	.	S	Bend	trans	-70.6	-12.9	-174.6	0	0	0	0	0	114.6
127	A	97.9	Very high	98	Very high	33 Å²	33	28.1 Å²	28.1	27%	0.273	18%	0.176	S	C	.	.	S	Bend	trans	-162.5	-176.1	-176.1	0	0	0	0	0	109.9	L125 Y129 K165	L125-A127 PolarHBondContact O-N 3Å; A127-Y129 HydrophobicContact CB-CE2 4.15Å; A127-Y129 WeakPolarHBondContact O-CD2 3.35Å; A127-Y129 WeakPolarHBondContact O-CE2 3.36Å; A127-K165 HydrophobicContact CB-CD 4.35Å; A127-K165 HydrophobicContact CB-CG 3.78Å
128	N	98.7	Very high	98	Very high	70 Å²	70	26.4 Å²	26.4	37%	0.374	16%	0.157	S	C	.	.			trans	-76.6	147.2	161.7	-65	-12.7	0	0	0	110.2	V119 I120 S121 E166	V119-N128 HydrophobicContact CG1-CB 3.91Å; I120-N128 WeakPolarHBondContact O-CA 3.35Å; S121-N128 WeakPolarHBondContact CB-OD1 3.3Å; N128-E166 HydrophobicContact CB-CB 4.35Å; N128-E166 VanDerWaalsContact CB-CD 3.4Å; N128-E166 HydrophobicContact CB-CG 3.83Å; N128-E166 WeakPolarHBondContact CB-OE2 3.44Å; N128-E166 PolarHBondContact ND2-OE2 3.16Å; N128-E166 VanDerWaalsContact ND2-OE2 3.1Å; N128-E166 PolarHBondContact O-N 3.1Å
129	Y	98.9	Very high	97.9	Very high	1 Å²	1	26 Å²	26	0%	0.004	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	127.1	177.2	-64.4	-109.6	0	0	0	109.7	V119 I120 L125 A127 I164 K165 T179 A182	V119-Y129 CarbonylContact C-O 3.52Å; V119-Y129 VanDerWaalsContact CA-O 3.31Å; V119-Y129 WeakPolarHBondContact CA-O 3.26Å; I120-Y129 PolarHBondContact N-O 2.89Å; I120-Y129 PolarHBondContact O-N 2.72Å; L125-Y129 HydrophobicContact CB-CD2 4.31Å; L125-Y129 HydrophobicContact CB-CE2 3.9Å; L125-Y129 HydrophobicContact CD1-CD2 4.16Å; L125-Y129 HydrophobicContact CD1-CE2 4.46Å; L125-Y129 HydrophobicContact CD2-CE2 4.37Å; L125-Y129 HydrophobicContact CG-CE2 4.48Å; A127-Y129 HydrophobicContact CB-CE2 4.15Å; A127-Y129 WeakPolarHBondContact O-CD2 3.35Å; A127-Y129 WeakPolarHBondContact O-CE2 3.36Å; Y129-I164 CarbonylContact C-O 3.52Å; Y129-I164 VanDerWaalsContact CA-O 3.27Å; Y129-I164 WeakPolarHBondContact CA-O 3.49Å; Y129-K165 VanDerWaalsContact CD1-CA 3.46Å; Y129-K165 HydrophobicContact CD1-CB 3.88Å; Y129-K165 VanDerWaalsContact CD1-N 3.3Å; Y129-K165 HydrophobicContact CE1-CB 3.61Å; Y129-K165 HydrophobicContact CE1-CG 4.02Å; Y129-T179 VanDerWaalsContact CE1-O 3.25Å; Y129-T179 WeakPolarHBondContact CE1-O 3.25Å; Y129-T179 PolarHBondContact OH-O 3.29Å; Y129-A182 HydrophobicContact CD1-CB 3.48Å; Y129-A182 VanDerWaalsContact CD1-CB 3.48Å; Y129-A182 HydrophobicContact CD2-CB 4.27Å; Y129-A182 HydrophobicContact CE1-CB 3.83Å; Y129-A182 HydrophobicContact CG-CB 3.75Å
130	K	98.7	Very high	97.6	Very high	58 Å²	58	29.6 Å²	29.6	25%	0.252	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	131.4	178.1	60.6	-175.4	176.7	-173.9	0	110.8	I118 V119 H163 I164 Y168	I118-K130 CarbonylContact O-C 3.53Å; I118-K130 WeakPolarHBondContact O-CA 3.32Å; V119-K130 HydrophobicContact CG2-CB 4.28Å; K130-H163 CarbonylContact O-C 3.54Å; K130-H163 WeakPolarHBondContact O-CA 3.47Å; K130-H163 WeakPolarHBondContact O-CB 3.2Å; K130-I164 HydrophobicContact CD-CG1 4.42Å; K130-I164 HydrophobicContact CG-CG1 3.8Å; K130-I164 PolarHBondContact N-O 2.83Å; K130-I164 PolarHBondContact O-N 3.03Å; K130-Y168 WeakPolarHBondContact CE-O 3.26Å; K130-Y168 PolarHBondContact NZ-O 2.82Å
131	A	98.7	Very high	96.9	Very high	4 Å²	4	32.7 Å²	32.7	3%	0.033	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	143.5	177.2	0	0	0	0	0	110	L114 I118 H163	L114-A131 HydrophobicContact CD1-CB 3.71Å; I118-A131 HydrophobicContact CB-CB 3.99Å; I118-A131 HydrophobicContact CG2-CB 3.92Å; I118-A131 PolarHBondContact O-N 3.27Å; A131-H163 VanDerWaalsContact CA-CD2 3.42Å; A131-H163 WeakPolarHBondContact CA-CD2 3.47Å; A131-H163 VanDerWaalsContact CB-CD2 3.46Å; A131-H163 WeakPolarHBondContact CB-CD2 3.04Å; A131-H163 PolarHBondContact N-CD2 3.14Å
132	I	98.2	Very high	95.8	Very high	47 Å²	47	32 Å²	32	24%	0.241	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	-34.6	-178.6	51.8	159	0	0	0	112.8	L114 V162 I164 L171	L114-I132 PolarHBondContact N-O 2.83Å; L114-I132 VanDerWaalsContact N-O 3.14Å; I132-V162 HydrophobicContact CD1-CG1 4.05Å; I132-V162 HydrophobicContact CG1-CB 4.3Å; I132-V162 HydrophobicContact CG1-CG1 4.17Å; I132-V162 VanDerWaalsContact CG1-O 3.23Å; I132-V162 WeakPolarHBondContact CG1-O 3.35Å; I132-V162 PolarHBondContact N-O 2.05Å; I132-I164 HydrophobicContact CD1-CG2 3.86Å; I132-I164 HydrophobicContact CG1-CG2 4.48Å; I132-I164 HydrophobicContact CG2-CD1 4.04Å; I132-I164 HydrophobicContact CG2-CG1 3.92Å; I132-L171 HydrophobicContact CD1-CD1 3.5Å; I132-L171 VanDerWaalsContact CD1-CD1 3.5Å; I132-L171 HydrophobicContact CD1-CD2 3.73Å; I132-L171 HydrophobicContact CD1-CG 3.33Å
133	Q	98.2	Very high	95.2	Very high	24 Å²	24	33.1 Å²	33.1	11%	0.112	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	160.8	176.9	58.5	89.3	-36.9	0	0	111.1	Q111 L112 H135 V162	Q111-Q133 HydrophobicContact CG-CB 4.09Å; L112-Q133 VanDerWaalsContact O-CA 3.26Å; L112-Q133 WeakPolarHBondContact O-CA 3.36Å; Q133-H135 VanDerWaalsContact CD-ND1 3.34Å; Q133-H135 PolarHBondContact NE2-ND1 2.85Å; Q133-H135 PolarHBondContact OE1-ND1 2.7Å; Q133-V162 HydrophobicContact CG-CB 4.11Å; Q133-V162 HydrophobicContact CG-CG2 4.35Å; Q133-V162 PolarHBondContact O-N 3.12Å
134	L	98.6	Very high	94.9	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	137.4	165.9	173	168.1	0	0	0	108.4	Q111 L112 L114 L136 M159 H160 I161 L222 L225	Q111-L134 CarbonylContact C-O 3.54Å; Q111-L134 VanDerWaalsContact CA-O 3.32Å; Q111-L134 WeakPolarHBondContact CA-O 3.44Å; L112-L134 HydrophobicContact CB-CB 4.39Å; L112-L134 HydrophobicContact CD1-CD2 4.22Å; L112-L134 PolarHBondContact N-O 2.7Å; L112-L134 PolarHBondContact O-N 3.23Å; L114-L134 HydrophobicContact CD1-CB 4.4Å; L134-L136 HydrophobicContact CD2-CD1 3.76Å; L134-M159 HydrophobicContact CD1-CG 4.15Å; L134-M159 HydrophobicContact CD1-SD 3.47Å; L134-M159 WeakPolarHBondContact CD1-SD 3.32Å; L134-M159 HydrophobicContact CD2-CG 3.92Å; L134-M159 HydrophobicContact CD2-SD 3.88Å; L134-M159 HydrophobicContact CG-CG 3.78Å; L134-M159 HydrophobicContact CG-SD 3.76Å; L134-H160 CarbonylContact C-O 3.21Å; L134-H160 VanDerWaalsContact CA-O 3.25Å; L134-H160 WeakPolarHBondContact CA-O 3.07Å; L134-I161 HydrophobicContact CB-CG1 4.49Å; L134-I161 HydrophobicContact CD1-CD1 4.26Å; L134-I161 HydrophobicContact CD1-CG1 4.02Å; L134-I161 HydrophobicContact CG-CG1 4.18Å; L134-L222 HydrophobicContact CD1-CD2 3.57Å; L134-L225 HydrophobicContact CD1-CD1 3.97Å
135	H	98.8	Very high	94.9	Very high	20 Å²	20	30.3 Å²	30.3	9%	0.093	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	168.1	172.6	63.8	-77.5	0	0	0	112.1	T109 V110 Q133 H137 M159 H160	T109-H135 HydrophobicContact CG2-CB 3.83Å; V110-H135 VanDerWaalsContact O-CA 3.24Å; V110-H135 WeakPolarHBondContact O-CA 3.49Å; V110-H135 WeakPolarHBondContact O-CB 3.42Å; Q133-H135 VanDerWaalsContact CD-ND1 3.34Å; Q133-H135 PolarHBondContact NE2-ND1 2.85Å; Q133-H135 PolarHBondContact OE1-ND1 2.7Å; H135-H137 AromaticContact CD2-CD2 3.99Å; H135-H137 AromaticContact CD2-NE2 3.29Å; H135-H137 PolarHBondContact CD2-NE2 2.91Å; H135-H137 VanDerWaalsContact CD2-NE2 3.29Å; H135-H137 AromaticContact NE2-NE2 3.27Å; H135-H137 PolarHBondContact NE2-NE2 2.83Å; H135-M159 WeakPolarHBondContact O-CA 3.45Å; H135-H160 VanDerWaalsContact CE1-CB 3.41Å; H135-H160 WeakPolarHBondContact CE1-CB 3.32Å; H135-H160 AromaticContact CE1-ND1 3.86Å; H135-H160 PolarHBondContact N-O 3.32Å; H135-H160 AromaticContact NE2-CG 3.86Å; H135-H160 AromaticContact NE2-ND1 3.28Å; H135-H160 PolarHBondContact NE2-ND1 2.74Å; H135-H160 PolarHBondContact O-N 3.09Å
136	L	98.6	Very high	94.9	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	151.2	-174.7	-63.6	97	0	0	0	112.7	T109 V110 L134 W138 M157 E158 M159 F188 F270 I284	T109-L136 PolarHBondContact OG1-N 3.11Å; T109-L136 PolarHBondContact OG1-O 3.26Å; V110-L136 HydrophobicContact CG2-CB 4.19Å; V110-L136 HydrophobicContact CG2-CD1 3.55Å; V110-L136 HydrophobicContact CG2-CG 4.44Å; V110-L136 PolarHBondContact O-N 2.97Å; L134-L136 HydrophobicContact CD2-CD1 3.76Å; L136-W138 HydrophobicContact CB-CE3 4.02Å; L136-W138 HydrophobicContact CB-CZ3 4.06Å; L136-W138 WeakPolarHBondContact O-CZ3 3.48Å; L136-M157 HydrophobicContact CB-CE 4.43Å; L136-M157 HydrophobicContact CD2-CE 3.79Å; L136-E158 CarbonylContact C-O 3.52Å; L136-E158 WeakPolarHBondContact CA-O 3.47Å; L136-M159 HydrophobicContact CD2-CB 4.49Å; L136-M159 HydrophobicContact CG-CB 4.32Å; L136-F188 HydrophobicContact CD2-CE2 3.92Å; L136-F188 HydrophobicContact CD2-CZ 3.76Å; L136-F270 HydrophobicContact CD2-CE1 4.39Å; L136-F270 HydrophobicContact CD2-CZ 4.48Å; L136-I284 WeakPolarHBondContact O-CD1 3.46Å
137	H	98.6	Very high	95.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	139.7	169.6	-60.9	-90.3	0	0	0	108.6	H135 E147 M157 E158 H160 I284	H135-H137 AromaticContact CD2-CD2 3.99Å; H135-H137 AromaticContact CD2-NE2 3.29Å; H135-H137 PolarHBondContact CD2-NE2 2.91Å; H135-H137 VanDerWaalsContact CD2-NE2 3.29Å; H135-H137 AromaticContact NE2-NE2 3.27Å; H135-H137 PolarHBondContact NE2-NE2 2.83Å; H137-E147 HydrophobicContact CB-CG 3.88Å; H137-E147 IonicContact CD2-OE2 3.83Å; H137-E147 VanDerWaalsContact CE1-CD 3.46Å; H137-E147 IonicContact CE1-OE1 3.3Å; H137-E147 IonicContact CE1-OE2 3.13Å; H137-E147 PolarHBondContact CE1-OE2 3.25Å; H137-E147 IonicContact ND1-OE1 2.96Å; H137-E147 IonicContact ND1-OE2 3.39Å; H137-E147 IonicContact NE2-OE2 3.87Å; H137-E147 PolarHBondContact NE2-OE2 3.38Å; H137-M157 CarbonylContact O-C 3.53Å; H137-M157 WeakPolarHBondContact O-CA 3.49Å; H137-M157 VanDerWaalsContact O-CB 3.28Å; H137-M157 WeakPolarHBondContact O-CB 3.49Å; H137-E158 PolarHBondContact N-O 3.26Å; H137-E158 PolarHBondContact O-N 3.22Å; H137-H160 AromaticContact CD2-CE1 3.33Å; H137-H160 PolarHBondContact CD2-CE1 2.59Å; H137-H160 AromaticContact CD2-ND1 3.35Å; H137-H160 PolarHBondContact CD2-ND1 3Å; H137-H160 AromaticContact NE2-CE1 3.33Å; H137-H160 PolarHBondContact NE2-CE1 2.75Å; H137-H160 VanDerWaalsContact NE2-CE1 3.33Å; H137-H160 AromaticContact NE2-ND1 3.1Å; H137-H160 PolarHBondContact NE2-ND1 3.44Å; H137-I284 PolarHBondContact ND1-O 2.82Å
138	W	98.1	Very high	95.1	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	161.2	-179.3	62.2	87.6	0	0	0	113	V110 L136 M157 F270 L273 M281 Q283 I284	V110-W138 HydrophobicContact CG1-CH2 4.12Å; V110-W138 HydrophobicContact CG2-CH2 4.14Å; V110-W138 HydrophobicContact CG2-CZ3 3.78Å; L136-W138 HydrophobicContact CB-CE3 4.02Å; L136-W138 HydrophobicContact CB-CZ3 4.06Å; L136-W138 WeakPolarHBondContact O-CZ3 3.48Å; W138-M157 HydrophobicContact CB-CB 4.34Å; W138-M157 HydrophobicContact CB-CE 3.87Å; W138-M157 HydrophobicContact CB-CG 3.67Å; W138-M157 HydrophobicContact CB-SD 4.37Å; W138-M157 HydrophobicContact CE3-CE 4.19Å; W138-M157 HydrophobicContact CG-CE 4.43Å; W138-F270 HydrophobicContact CD2-CB 3.85Å; W138-F270 HydrophobicContact CE3-CB 4.27Å; W138-F270 HydrophobicContact CE3-CD1 4.26Å; W138-F270 HydrophobicContact CG-CB 4.16Å; W138-F270 HydrophobicContact CZ2-CB 4.19Å; W138-F270 HydrophobicContact CZ3-CD1 4.21Å; W138-L273 HydrophobicContact CH2-CD1 4.1Å; W138-L273 HydrophobicContact CZ2-CD1 4.13Å; W138-M281 HydrophobicContact CH2-CG 4.25Å; W138-M281 HydrophobicContact CH2-SD 3.52Å; W138-M281 VanDerWaalsContact CH2-SD 3.52Å; W138-M281 HydrophobicContact CZ2-CB 4.17Å; W138-M281 HydrophobicContact CZ2-CG 3.55Å; W138-M281 HydrophobicContact CZ2-SD 3.4Å; W138-M281 WeakPolarHBondContact CZ2-SD 3.47Å; W138-M281 PolarHBondContact NE1-O 2.91Å; W138-Q283 WeakPolarHBondContact O-CA 3.4Å; W138-Q283 PolarHBondContact O-N 3.05Å; W138-I284 HydrophobicContact CD2-CD1 3.66Å; W138-I284 HydrophobicContact CD2-CG1 3.88Å; W138-I284 HydrophobicContact CE3-CD1 3.43Å; W138-I284 VanDerWaalsContact CE3-CD1 3.43Å; W138-I284 HydrophobicContact CE3-CG1 4.11Å; W138-I284 HydrophobicContact CG-CG1 4.26Å; W138-I284 HydrophobicContact CH2-CD1 3.48Å; W138-I284 VanDerWaalsContact CH2-CD1 3.48Å; W138-I284 HydrophobicContact CZ2-CD1 3.74Å; W138-I284 HydrophobicContact CZ2-CG1 4.38Å; W138-I284 HydrophobicContact CZ3-CD1 3.31Å; W138-I284 HydrophobicContact CZ3-CG1 4.41Å; W138-I284 PolarHBondContact O-N 3.33Å; W138-I284 VanDerWaalsContact O-N 3.1Å
139	G	96	Very high	95.1	Very high	1 Å²	1	21 Å²	21	1%	0.01	12%	0.115	C	C	.	.			trans	-87.8	-137.7	-178.8	0	0	0	0	0	111.9	S144 P156 Q283	G139-S144 WeakPolarHBondContact CA-O 3.35Å; G139-P156 PolarHBondContact N-O 3.36Å; G139-Q283 PolarHBondContact O-N 2.85Å; G139-Q283 VanDerWaalsContact O-N 3.13Å
140	K	93	Very high	95.1	Very high	92 Å²	92	22.3 Å²	22.3	40%	0.4	12%	0.122	S	C	.	.	S	Bend	trans	-122.9	121.1	173.9	-176.7	-177.5	-173.3	170.8	0	110	G142 S143 I282 Q283	K140-G142 VanDerWaalsContact C-N 3.34Å; K140-G142 PolarHBondContact O-N 2.83Å; K140-S143 PolarHBondContact N-OG 2.99Å; K140-S143 VanDerWaalsContact O-CB 3.25Å; K140-S143 WeakPolarHBondContact O-CB 3.34Å; K140-S143 PolarHBondContact O-N 2.83Å; K140-S143 PolarHBondContact O-OG 3.3Å; K140-I282 HydrophobicContact CB-CB 4.31Å; K140-I282 HydrophobicContact CB-CD1 4.47Å; K140-I282 HydrophobicContact CB-CG2 4.47Å; K140-I282 HydrophobicContact CD-CD1 3.82Å; K140-I282 HydrophobicContact CG-CB 4.48Å; K140-I282 HydrophobicContact CG-CD1 4.09Å; K140-I282 HydrophobicContact CG-CG2 4.28Å; K140-Q283 HydrophobicContact CB-CG 4.4Å
141	N	83.6	Confident	95.1	Very high	65 Å²	65	23.3 Å²	23.3	35%	0.348	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	43.4	171.6	-60.4	-23.1	0	0	0	115.3	R264 C271	N141-R264 PolarHBondContact O-NE 2.88Å; N141-C271 PolarHBondContact N-SG 2.81Å
142	G	75	Confident	95	Very high	10 Å²	10	25.4 Å²	25.4	10%	0.103	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.4	-1.9	-178.4	0	0	0	0	0	115.4	K140	K140-G142 VanDerWaalsContact C-N 3.34Å; K140-G142 PolarHBondContact O-N 2.83Å
143	S	83.9	Confident	94.9	Very high	53 Å²	53	29.7 Å²	29.7	37%	0.371	17%	0.171	S	C	.	.	S	Bend	trans	-73.8	170.4	172.7	64.5	0	0	0	0	113	K140 G145 P156	K140-S143 PolarHBondContact N-OG 2.99Å; K140-S143 VanDerWaalsContact O-CB 3.25Å; K140-S143 WeakPolarHBondContact O-CB 3.34Å; K140-S143 PolarHBondContact O-N 2.83Å; K140-S143 PolarHBondContact O-OG 3.3Å; S143-G145 PolarHBondContact O-N 3.02Å; S143-P156 WeakPolarHBondContact O-CA 3.42Å
144	S	90.3	Very high	94.8	Very high	57 Å²	57	31.1 Å²	31.1	40%	0.399	18%	0.177	S	C	.	.			trans	-44.5	123.9	176.4	-60.5	0	0	0	0	114	G139 K154 Y285	G139-S144 WeakPolarHBondContact CA-O 3.35Å; S144-K154 VanDerWaalsContact CB-CB 3.49Å; S144-Y285 WeakPolarHBondContact O-CE1 3.44Å
145	G	95.4	Very high	94.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.185	C	C	.	.			trans	-147.8	-9.1	-170.8	0	0	0	0	0	116.6	S143 F155 P156 Y285	S143-G145 PolarHBondContact O-N 3.02Å; G145-F155 PolarHBondContact N-O 2.85Å; G145-P156 VanDerWaalsContact CA-O 3.3Å; G145-P156 WeakPolarHBondContact CA-O 3.36Å; G145-P156 PolarHBondContact N-O 3.43Å; G145-Y285 WeakPolarHBondContact O-CD1 3.33Å
146	S	98.6	Very high	94.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.186	C	C	.	.			trans	-64.7	146.1	172.7	64.2	0	0	0	0	111.2	H148 K154 F155 E158	S146-H148 WeakPolarHBondContact CB-O 3.34Å; S146-H148 PolarHBondContact OG-O 3.5Å; S146-K154 PolarHBondContact O-NZ 3.29Å; S146-F155 PolarHBondContact N-O 3.01Å; S146-F155 PolarHBondContact OG-N 2.87Å; S146-E158 WeakPolarHBondContact CB-OE2 3.36Å
147	E	98.7	Very high	94.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.186	C	C	.	.	S	Bend	trans	-72.6	-53.6	173.8	-65	-139.3	96.3	0	0	109.2	P73 H137 E158 H160 T243 R286	P73-E147 VanDerWaalsContact CB-C 3.47Å; P73-E147 HydrophobicContact CB-CB 3.76Å; P73-E147 WeakPolarHBondContact CB-O 3.3Å; P73-E147 HydrophobicContact CG-CB 3.78Å; P73-E147 WeakPolarHBondContact CG-O 3.46Å; H137-E147 HydrophobicContact CB-CG 3.88Å; H137-E147 IonicContact CD2-OE2 3.83Å; H137-E147 VanDerWaalsContact CE1-CD 3.46Å; H137-E147 IonicContact CE1-OE1 3.3Å; H137-E147 IonicContact CE1-OE2 3.13Å; H137-E147 PolarHBondContact CE1-OE2 3.25Å; H137-E147 IonicContact ND1-OE1 2.96Å; H137-E147 IonicContact ND1-OE2 3.39Å; H137-E147 IonicContact NE2-OE2 3.87Å; H137-E147 PolarHBondContact NE2-OE2 3.38Å; E147-E158 PolarHBondContact N-OE2 2.88Å; E147-H160 IonicContact OE2-CE1 2.67Å; E147-H160 PolarHBondContact OE2-CE1 2.93Å; E147-H160 IonicContact OE2-ND1 3.82Å; E147-T243 WeakPolarHBondContact OE2-CB 3.41Å; E147-T243 VanDerWaalsContact OE2-CG2 3.26Å; E147-T243 WeakPolarHBondContact OE2-CG2 3.23Å; E147-T243 PolarHBondContact OE2-OG1 3.32Å; E147-R286 WeakPolarHBondContact OE1-CB 3.48Å; E147-R286 PolarHBondContact OE1-N 3.49Å
148	H	98.9	Very high	94.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.186	C	C	.	.	S	Bend	trans	-75.4	157	174.6	-64.6	91	0	0	0	111.8	V74 S146 E158 F187 Y238 W253 L255	V74-H148 PolarHBondContact N-CD2 2.99Å; V74-H148 PolarHBondContact O-CD2 3.45Å; S146-H148 WeakPolarHBondContact CB-O 3.34Å; S146-H148 PolarHBondContact OG-O 3.5Å; H148-E158 IonicContact CE1-OE1 3.58Å; H148-E158 IonicContact CG-OE1 3.44Å; H148-E158 PolarHBondContact N-OE2 3.17Å; H148-E158 IonicContact ND1-OE1 3.66Å; H148-E158 PolarHBondContact ND1-OE1 2.79Å; H148-E158 IonicContact ND1-OE2 2.7Å; H148-F187 HydrophobicContact CB-CE1 3.83Å; H148-F187 HydrophobicContact CB-CZ 3.71Å; H148-Y238 AromaticContact NE2-CE1 3.72Å; H148-Y238 AromaticContact NE2-CZ 3.6Å; H148-Y238 PolarHBondContact NE2-OH 3.39Å; H148-W253 AromaticContact CE1-CD2 3.88Å; H148-W253 AromaticContact CE1-CE3 3.59Å; H148-W253 AromaticContact CE1-CH2 3.72Å; H148-W253 AromaticContact CE1-CZ3 3.49Å; H148-W253 VanDerWaalsContact CE1-CZ3 3.49Å; H148-W253 WeakPolarHBondContact CE1-CZ3 3.33Å; H148-L255 HydrophobicContact CB-CD1 4Å; H148-L255 VanDerWaalsContact CD2-CD1 3.48Å; H148-L255 WeakPolarHBondContact CD2-CD1 3.43Å
149	T	98.7	Very high	94.8	Very high	8 Å²	8	32.9 Å²	32.9	5%	0.049	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	153.3	172.8	61.1	0	0	0	0	110.4	N75 I76 E153 K154 V288	N75-T149 VanDerWaalsContact CA-OG1 3.25Å; N75-T149 WeakPolarHBondContact CA-OG1 3.42Å; N75-T149 WeakPolarHBondContact CB-OG1 3.46Å; N75-T149 PolarHBondContact OD1-O 3.02Å; N75-T149 PolarHBondContact OD1-OG1 2.66Å; I76-T149 PolarHBondContact N-O 2.76Å; T149-E153 WeakPolarHBondContact CA-O 3.43Å; T149-E153 WeakPolarHBondContact CB-O 3.27Å; T149-K154 HydrophobicContact CG2-CB 4.4Å; T149-K154 HydrophobicContact CG2-CD 4.37Å; T149-K154 HydrophobicContact CG2-CG 3.36Å; T149-V288 HydrophobicContact CG2-CG1 4.02Å
150	I	98.4	Very high	94.9	Very high	27 Å²	27	32.9 Å²	32.9	14%	0.138	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	120.2	172.4	-59.5	-179.7	0	0	0	107.6	T78 G152 E153 F155 F187 F236	T78-I150 HydrophobicContact CG2-CG2 3.54Å; I150-G152 PolarHBondContact O-N 3.11Å; I150-G152 VanDerWaalsContact O-N 3.07Å; I150-E153 PolarHBondContact N-O 2.8Å; I150-E153 WeakPolarHBondContact O-CB 3.41Å; I150-E153 PolarHBondContact O-N 3.28Å; I150-F155 HydrophobicContact CB-CE2 4.41Å; I150-F155 HydrophobicContact CD1-CE2 3.98Å; I150-F155 HydrophobicContact CD1-CZ 4.24Å; I150-F155 HydrophobicContact CG1-CE2 4.14Å; I150-F187 HydrophobicContact CD1-CD2 4.15Å; I150-F187 HydrophobicContact CD1-CE2 3.69Å; I150-F187 HydrophobicContact CD1-CZ 4.39Å; I150-F187 HydrophobicContact CG1-CE2 4.11Å; I150-F187 HydrophobicContact CG1-CZ 4.33Å; I150-F236 HydrophobicContact CD1-CE2 4.08Å
151	D	98.3	Very high	95.2	Very high	79 Å²	79	28.5 Å²	28.5	42%	0.422	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	30.5	-176.8	-64.5	-41.5	0	0	0	113.9	N75 I76 V77 T78	N75-D151 PolarHBondContact OD1-N 2.71Å; I76-D151 PolarHBondContact O-N 3.03Å; V77-D151 WeakPolarHBondContact CA-OD1 3.13Å; T78-D151 WeakPolarHBondContact CB-OD2 3.25Å; T78-D151 WeakPolarHBondContact CG2-OD2 3.39Å; T78-D151 PolarHBondContact N-OD1 2.95Å; T78-D151 VanDerWaalsContact OG1-CG 3.32Å; T78-D151 PolarHBondContact OG1-OD1 3.28Å; T78-D151 PolarHBondContact OG1-OD2 3.24Å
152	G	97.5	Very high	95.9	Very high	48 Å²	48	25.6 Å²	25.6	50%	0.495	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.2	-11.1	-177.6	0	0	0	0	0	114.9	N75 I150	N75-G152 PolarHBondContact OD1-N 3.25Å; I150-G152 PolarHBondContact O-N 3.11Å; I150-G152 VanDerWaalsContact O-N 3.07Å
153	E	96.5	Very high	97.1	Very high	137 Å²	137	25.1 Å²	25.1	64%	0.64	15%	0.147	S	C	*	.	B	Isolated β-bridge	trans	-84	134.9	-179	-62.4	-61.3	149.8	0	0	111.8	T149 I150	T149-E153 WeakPolarHBondContact CA-O 3.43Å; T149-E153 WeakPolarHBondContact CB-O 3.27Å; I150-E153 PolarHBondContact N-O 2.8Å; I150-E153 WeakPolarHBondContact O-CB 3.41Å; I150-E153 PolarHBondContact O-N 3.28Å
154	K	96.2	Very high	97.8	Very high	54 Å²	54	22.7 Å²	22.7	24%	0.235	13%	0.129	C	C	.	.	P	Polyproline II helix	trans	-99.8	144.4	172.8	-85	-177.6	176.9	-88.2	0	110.8	S144 S146 T149	S144-K154 VanDerWaalsContact CB-CB 3.49Å; S146-K154 PolarHBondContact O-NZ 3.29Å; T149-K154 HydrophobicContact CG2-CB 4.4Å; T149-K154 HydrophobicContact CG2-CD 4.37Å; T149-K154 HydrophobicContact CG2-CG 3.36Å
155	F	97.7	Very high	98.2	Very high	39 Å²	39	21.9 Å²	21.9	17%	0.171	12%	0.119	C	C	.	.	P	Polyproline II helix	trans	-94.5	158.7	172.4	-66.6	-94.2	0	0	0	110.9	G145 S146 I150 M157 F187 F188 T259	G145-F155 PolarHBondContact N-O 2.85Å; S146-F155 PolarHBondContact N-O 3.01Å; S146-F155 PolarHBondContact OG-N 2.87Å; I150-F155 HydrophobicContact CB-CE2 4.41Å; I150-F155 HydrophobicContact CD1-CE2 3.98Å; I150-F155 HydrophobicContact CD1-CZ 4.24Å; I150-F155 HydrophobicContact CG1-CE2 4.14Å; F155-M157 VanDerWaalsContact C-N 3.28Å; F155-M157 PolarHBondContact O-N 2.94Å; F155-F187 HydrophobicContact CB-CB 4.05Å; F155-F187 HydrophobicContact CB-CD1 4.02Å; F155-F187 HydrophobicContact CB-CG 4.36Å; F155-F187 HydrophobicContact CD1-CB 3.85Å; F155-F187 HydrophobicContact CD1-CG 4.4Å; F155-F187 HydrophobicContact CD2-CB 3.9Å; F155-F187 AromaticContact CD2-CD1 3.43Å; F155-F187 HydrophobicContact CD2-CD1 3.43Å; F155-F187 VanDerWaalsContact CD2-CD1 3.43Å; F155-F187 HydrophobicContact CD2-CD2 4.2Å; F155-F187 AromaticContact CD2-CE1 3.96Å; F155-F187 HydrophobicContact CD2-CE1 3.96Å; F155-F187 AromaticContact CD2-CG 3.56Å; F155-F187 HydrophobicContact CD2-CG 3.56Å; F155-F187 HydrophobicContact CE1-CB 4.26Å; F155-F187 HydrophobicContact CE2-CB 4.32Å; F155-F187 HydrophobicContact CE2-CD1 4.1Å; F155-F187 HydrophobicContact CE2-CD2 4.06Å; F155-F187 HydrophobicContact CE2-CE1 4.46Å; F155-F187 HydrophobicContact CE2-CE2 4.43Å; F155-F187 AromaticContact CE2-CG 3.88Å; F155-F187 HydrophobicContact CE2-CG 3.88Å; F155-F187 HydrophobicContact CG-CB 3.65Å; F155-F187 AromaticContact CG-CD1 3.86Å; F155-F187 HydrophobicContact CG-CD1 3.86Å; F155-F187 AromaticContact CG-CG 3.85Å; F155-F187 HydrophobicContact CG-CG 3.85Å; F155-F187 HydrophobicContact CZ-CB 4.49Å; F155-F187 HydrophobicContact CZ-CG 4.42Å; F155-F188 WeakPolarHBondContact CB-O 3.37Å; F155-F188 WeakPolarHBondContact CD1-O 3.38Å; F155-T259 HydrophobicContact CD1-CG2 4.38Å; F155-T259 HydrophobicContact CE1-CG2 3.91Å
156	P	97.4	Very high	98.3	Very high	20 Å²	20	26.2 Å²	26.2	13%	0.13	14%	0.139	C	C	.	.	S	Bend	trans	-60	-32.7	-179	-28.3	35.9	0	0	0	115.2	G139 S143 G145 F188 V267	G139-P156 PolarHBondContact N-O 3.36Å; S143-P156 WeakPolarHBondContact O-CA 3.42Å; G145-P156 VanDerWaalsContact CA-O 3.3Å; G145-P156 WeakPolarHBondContact CA-O 3.36Å; G145-P156 PolarHBondContact N-O 3.43Å; P156-F188 WeakPolarHBondContact CD-O 3.23Å; P156-V267 HydrophobicContact CB-CG1 4.48Å
157	M	98.2	Very high	98.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	162.7	178.5	-52.5	177.5	69.8	0	0	110.5	L136 H137 W138 F155 F188 L262 V267 F270	L136-M157 HydrophobicContact CB-CE 4.43Å; L136-M157 HydrophobicContact CD2-CE 3.79Å; H137-M157 CarbonylContact O-C 3.53Å; H137-M157 WeakPolarHBondContact O-CA 3.49Å; H137-M157 VanDerWaalsContact O-CB 3.28Å; H137-M157 WeakPolarHBondContact O-CB 3.49Å; W138-M157 HydrophobicContact CB-CB 4.34Å; W138-M157 HydrophobicContact CB-CE 3.87Å; W138-M157 HydrophobicContact CB-CG 3.67Å; W138-M157 HydrophobicContact CB-SD 4.37Å; W138-M157 HydrophobicContact CE3-CE 4.19Å; W138-M157 HydrophobicContact CG-CE 4.43Å; F155-M157 VanDerWaalsContact C-N 3.28Å; F155-M157 PolarHBondContact O-N 2.94Å; M157-F188 HydrophobicContact CB-CB 3.88Å; M157-F188 HydrophobicContact CB-CD2 3.5Å; M157-F188 VanDerWaalsContact CB-CD2 3.5Å; M157-F188 HydrophobicContact CB-CE2 4.22Å; M157-F188 HydrophobicContact CB-CG 3.83Å; M157-F188 PolarHBondContact O-N 2.92Å; M157-L262 HydrophobicContact SD-CD1 4.07Å; M157-V267 HydrophobicContact CG-CG1 3.87Å; M157-V267 HydrophobicContact CG-CG2 4.42Å; M157-V267 HydrophobicContact SD-CB 4.13Å; M157-V267 HydrophobicContact SD-CG1 3.79Å; M157-V267 HydrophobicContact SD-CG2 3.83Å; M157-F270 HydrophobicContact CE-CB 4.4Å; M157-F270 HydrophobicContact CE-CD1 4.07Å; M157-F270 HydrophobicContact CE-CD2 3.66Å; M157-F270 HydrophobicContact CE-CE1 4.25Å; M157-F270 HydrophobicContact CE-CE2 3.87Å; M157-F270 HydrophobicContact CE-CG 3.78Å; M157-F270 HydrophobicContact CE-CZ 4.16Å; M157-F270 HydrophobicContact SD-CD2 4.23Å; M157-F270 HydrophobicContact SD-CE2 4.43Å
158	E	98.9	Very high	98.1	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	135.2	171	-176.4	170.4	176.8	0	0	110.2	L136 H137 S146 E147 H148 H160 F186 F187	L136-E158 CarbonylContact C-O 3.52Å; L136-E158 WeakPolarHBondContact CA-O 3.47Å; H137-E158 PolarHBondContact N-O 3.26Å; H137-E158 PolarHBondContact O-N 3.22Å; S146-E158 WeakPolarHBondContact CB-OE2 3.36Å; E147-E158 PolarHBondContact N-OE2 2.88Å; H148-E158 IonicContact CE1-OE1 3.58Å; H148-E158 IonicContact CG-OE1 3.44Å; H148-E158 PolarHBondContact N-OE2 3.17Å; H148-E158 IonicContact ND1-OE1 3.66Å; H148-E158 PolarHBondContact ND1-OE1 2.79Å; H148-E158 IonicContact ND1-OE2 2.7Å; E158-H160 IonicContact OE1-CD2 3.21Å; E158-H160 IonicContact OE1-NE2 3.58Å; E158-H160 PolarHBondContact OE1-NE2 3.25Å; E158-H160 VanDerWaalsContact OE1-NE2 3.13Å; E158-F186 CarbonylContact C-O 3.56Å; E158-F186 WeakPolarHBondContact CA-O 3.45Å; E158-F187 HydrophobicContact CB-CD1 4.45Å; E158-F187 HydrophobicContact CG-CD1 4.29Å; E158-F187 HydrophobicContact CG-CE1 4.31Å
159	M	98.9	Very high	98	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	136.9	174.6	170.6	177.6	75.8	0	0	110.1	L134 H135 L136 I161 G185 F186 F188 L225 I226 I260	L134-M159 HydrophobicContact CD1-CG 4.15Å; L134-M159 HydrophobicContact CD1-SD 3.47Å; L134-M159 WeakPolarHBondContact CD1-SD 3.32Å; L134-M159 HydrophobicContact CD2-CG 3.92Å; L134-M159 HydrophobicContact CD2-SD 3.88Å; L134-M159 HydrophobicContact CG-CG 3.78Å; L134-M159 HydrophobicContact CG-SD 3.76Å; H135-M159 WeakPolarHBondContact O-CA 3.45Å; L136-M159 HydrophobicContact CD2-CB 4.49Å; L136-M159 HydrophobicContact CG-CB 4.32Å; M159-I161 HydrophobicContact CE-CD1 4.24Å; M159-I161 HydrophobicContact CE-CG1 4.37Å; M159-I161 HydrophobicContact CG-CG1 4.46Å; M159-G185 WeakPolarHBondContact O-CA 3.19Å; M159-F186 HydrophobicContact CE-CB 3.95Å; M159-F186 HydrophobicContact CE-CD2 3.53Å; M159-F186 HydrophobicContact CE-CE2 4.2Å; M159-F186 HydrophobicContact CE-CG 3.86Å; M159-F186 PolarHBondContact N-O 2.96Å; M159-F186 PolarHBondContact O-N 2.89Å; M159-F188 HydrophobicContact CB-CE2 3.63Å; M159-F188 HydrophobicContact CB-CZ 4.12Å; M159-L225 WeakPolarHBondContact CE-O 3.4Å; M159-I226 HydrophobicContact CE-CG2 3.5Å; M159-I226 VanDerWaalsContact CE-CG2 3.5Å; M159-I260 HydrophobicContact CE-CD1 3.71Å
160	H	98.9	Very high	97.9	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	124.2	173.3	-65.6	152.8	0	0	0	110.3	L134 H135 H137 E147 E158 V183 L184 W253	L134-H160 CarbonylContact C-O 3.21Å; L134-H160 VanDerWaalsContact CA-O 3.25Å; L134-H160 WeakPolarHBondContact CA-O 3.07Å; H135-H160 VanDerWaalsContact CE1-CB 3.41Å; H135-H160 WeakPolarHBondContact CE1-CB 3.32Å; H135-H160 AromaticContact CE1-ND1 3.86Å; H135-H160 PolarHBondContact N-O 3.32Å; H135-H160 AromaticContact NE2-CG 3.86Å; H135-H160 AromaticContact NE2-ND1 3.28Å; H135-H160 PolarHBondContact NE2-ND1 2.74Å; H135-H160 PolarHBondContact O-N 3.09Å; H137-H160 AromaticContact CD2-CE1 3.33Å; H137-H160 PolarHBondContact CD2-CE1 2.59Å; H137-H160 AromaticContact CD2-ND1 3.35Å; H137-H160 PolarHBondContact CD2-ND1 3Å; H137-H160 AromaticContact NE2-CE1 3.33Å; H137-H160 PolarHBondContact NE2-CE1 2.75Å; H137-H160 VanDerWaalsContact NE2-CE1 3.33Å; H137-H160 AromaticContact NE2-ND1 3.1Å; H137-H160 PolarHBondContact NE2-ND1 3.44Å; E147-H160 IonicContact OE2-CE1 2.67Å; E147-H160 PolarHBondContact OE2-CE1 2.93Å; E147-H160 IonicContact OE2-ND1 3.82Å; E158-H160 IonicContact OE1-CD2 3.21Å; E158-H160 IonicContact OE1-NE2 3.58Å; E158-H160 PolarHBondContact OE1-NE2 3.25Å; E158-H160 VanDerWaalsContact OE1-NE2 3.13Å; H160-V183 HydrophobicContact CB-CG1 3.87Å; H160-L184 WeakPolarHBondContact CA-O 3.35Å; H160-W253 AromaticContact CD2-CH2 3.57Å; H160-W253 AromaticContact CD2-CZ3 3.48Å; H160-W253 VanDerWaalsContact CD2-CZ3 3.48Å; H160-W253 WeakPolarHBondContact CD2-CZ3 3.31Å; H160-W253 AromaticContact CE1-CH2 3.56Å; H160-W253 AromaticContact CG-CH2 3.89Å; H160-W253 AromaticContact ND1-CH2 3.88Å; H160-W253 AromaticContact NE2-CH2 3.34Å; H160-W253 VanDerWaalsContact NE2-CH2 3.34Å; H160-W253 WeakPolarHBondContact NE2-CH2 3.42Å; H160-W253 AromaticContact NE2-CZ3 3.47Å; H160-W253 WeakPolarHBondContact NE2-CZ3 3.37Å
161	I	98.9	Very high	97.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	110.7	166.6	-46.9	-176.5	0	0	0	107.8	Y95 L114 L134 M159 H163 V183 L184 F186 L222 I226	Y95-I161 HydrophobicContact CE1-CD1 4.3Å; L114-I161 HydrophobicContact CD1-CG2 4.14Å; L134-I161 HydrophobicContact CB-CG1 4.49Å; L134-I161 HydrophobicContact CD1-CD1 4.26Å; L134-I161 HydrophobicContact CD1-CG1 4.02Å; L134-I161 HydrophobicContact CG-CG1 4.18Å; M159-I161 HydrophobicContact CE-CD1 4.24Å; M159-I161 HydrophobicContact CE-CG1 4.37Å; M159-I161 HydrophobicContact CG-CG1 4.46Å; I161-H163 WeakPolarHBondContact CG2-CE1 3.25Å; I161-H163 PolarHBondContact O-CE1 3.08Å; I161-H163 PolarHBondContact O-ND1 3.48Å; I161-V183 WeakPolarHBondContact O-CA 3.45Å; I161-L184 HydrophobicContact CB-CB 4.3Å; I161-L184 PolarHBondContact N-O 2.85Å; I161-L184 PolarHBondContact O-N 3.28Å; I161-F186 HydrophobicContact CD1-CD2 4.42Å; I161-F186 HydrophobicContact CD1-CE2 3.76Å; I161-F186 HydrophobicContact CG1-CD2 4.48Å; I161-F186 HydrophobicContact CG1-CE2 4.12Å; I161-L222 HydrophobicContact CD1-CD1 4.4Å; I161-L222 HydrophobicContact CD1-CD2 4.21Å; I161-L222 HydrophobicContact CG2-CD1 4.05Å; I161-I226 HydrophobicContact CD1-CG2 3.78Å
162	V	98.9	Very high	97.7	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.024	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	127.4	-173.9	-174.7	0	0	0	0	109.8	I132 Q133 L171 I181 V183	I132-V162 HydrophobicContact CD1-CG1 4.05Å; I132-V162 HydrophobicContact CG1-CB 4.3Å; I132-V162 HydrophobicContact CG1-CG1 4.17Å; I132-V162 VanDerWaalsContact CG1-O 3.23Å; I132-V162 WeakPolarHBondContact CG1-O 3.35Å; I132-V162 PolarHBondContact N-O 2.05Å; Q133-V162 HydrophobicContact CG-CB 4.11Å; Q133-V162 HydrophobicContact CG-CG2 4.35Å; Q133-V162 PolarHBondContact O-N 3.12Å; V162-L171 HydrophobicContact CG1-CD2 4.09Å; V162-I181 HydrophobicContact CG1-CG2 4.02Å; V162-V183 HydrophobicContact CG1-CG2 4.34Å; V162-V183 HydrophobicContact CG2-CG2 4.22Å
163	H	98.9	Very high	97.7	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	144.8	176.6	-50.7	69.4	0	0	0	110.4	Y95 I120 K130 A131 I161 I181 A182	Y95-H163 AromaticContact CZ-NE2 3.84Å; Y95-H163 PolarHBondContact OH-CE1 2.84Å; Y95-H163 PolarHBondContact OH-NE2 3.38Å; I120-H163 HydrophobicContact CD1-CB 4.37Å; K130-H163 CarbonylContact O-C 3.54Å; K130-H163 WeakPolarHBondContact O-CA 3.47Å; K130-H163 WeakPolarHBondContact O-CB 3.2Å; A131-H163 VanDerWaalsContact CA-CD2 3.42Å; A131-H163 WeakPolarHBondContact CA-CD2 3.47Å; A131-H163 VanDerWaalsContact CB-CD2 3.46Å; A131-H163 WeakPolarHBondContact CB-CD2 3.04Å; A131-H163 PolarHBondContact N-CD2 3.14Å; I161-H163 WeakPolarHBondContact CG2-CE1 3.25Å; I161-H163 PolarHBondContact O-CE1 3.08Å; I161-H163 PolarHBondContact O-ND1 3.48Å; H163-I181 WeakPolarHBondContact O-CA 3.3Å; H163-I181 WeakPolarHBondContact O-CG2 3.49Å; H163-A182 WeakPolarHBondContact CA-O 3.41Å; H163-A182 HydrophobicContact CB-CB 4.44Å; H163-A182 WeakPolarHBondContact CB-O 3.49Å; H163-A182 PolarHBondContact N-O 3.35Å; H163-A182 PolarHBondContact ND1-O 3.13Å; H163-A182 PolarHBondContact O-N 3.33Å
164	I	98.8	Very high	97.8	Very high	1 Å²	1	37 Å²	37	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	143.2	170.9	61.4	175.7	0	0	0	110.2	Y129 K130 I132 E166 L171 A174 I181	Y129-I164 CarbonylContact C-O 3.52Å; Y129-I164 VanDerWaalsContact CA-O 3.27Å; Y129-I164 WeakPolarHBondContact CA-O 3.49Å; K130-I164 HydrophobicContact CD-CG1 4.42Å; K130-I164 HydrophobicContact CG-CG1 3.8Å; K130-I164 PolarHBondContact N-O 2.83Å; K130-I164 PolarHBondContact O-N 3.03Å; I132-I164 HydrophobicContact CD1-CG2 3.86Å; I132-I164 HydrophobicContact CG1-CG2 4.48Å; I132-I164 HydrophobicContact CG2-CD1 4.04Å; I132-I164 HydrophobicContact CG2-CG1 3.92Å; I164-E166 PolarHBondContact O-N 3.07Å; I164-L171 HydrophobicContact CG2-CD2 3.67Å; I164-L171 HydrophobicContact CG2-CG 4.13Å; I164-A174 HydrophobicContact CB-CB 3.98Å; I164-A174 HydrophobicContact CG2-CB 3.77Å; I164-I181 HydrophobicContact CG2-CG1 4.42Å
165	K	98.7	Very high	97.9	Very high	41 Å²	41	35.9 Å²	35.9	18%	0.178	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	134.2	177.7	-165.6	177.3	-178.1	172.9	0	109.9	A127 Y129 G167 Y168 D177 T179 G180	A127-K165 HydrophobicContact CB-CD 4.35Å; A127-K165 HydrophobicContact CB-CG 3.78Å; Y129-K165 VanDerWaalsContact CD1-CA 3.46Å; Y129-K165 HydrophobicContact CD1-CB 3.88Å; Y129-K165 VanDerWaalsContact CD1-N 3.3Å; Y129-K165 HydrophobicContact CE1-CB 3.61Å; Y129-K165 HydrophobicContact CE1-CG 4.02Å; K165-G167 PolarHBondContact O-N 3.08Å; K165-Y168 HydrophobicContact CB-CD2 3.86Å; K165-Y168 HydrophobicContact CB-CE2 4.01Å; K165-Y168 HydrophobicContact CD-CE2 4.11Å; K165-Y168 PolarHBondContact O-N 3.07Å; K165-D177 WeakPolarHBondContact CD-OD2 3.4Å; K165-D177 IonicContact NZ-OD1 3.87Å; K165-D177 IonicContact NZ-OD2 3.97Å; K165-D177 PolarHBondContact NZ-OD2 2.58Å; K165-T179 PolarHBondContact NZ-OG1 3.27Å; K165-G180 WeakPolarHBondContact CB-O 3.33Å; K165-G180 PolarHBondContact N-O 3.33Å
166	E	98	Very high	97.9	Very high	90 Å²	90	39.2 Å²	39.2	42%	0.421	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	138.9	174.7	-73.2	-170.9	161.6	0	0	110.2	N128 I164	N128-E166 HydrophobicContact CB-CB 4.35Å; N128-E166 VanDerWaalsContact CB-CD 3.4Å; N128-E166 HydrophobicContact CB-CG 3.83Å; N128-E166 WeakPolarHBondContact CB-OE2 3.44Å; N128-E166 PolarHBondContact ND2-OE2 3.16Å; N128-E166 VanDerWaalsContact ND2-OE2 3.1Å; N128-E166 PolarHBondContact O-N 3.1Å; I164-E166 PolarHBondContact O-N 3.07Å
167	G	96.6	Very high	97.9	Very high	70 Å²	70	39.3 Å²	39.3	72%	0.722	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	106.4	-28.1	-168.9	0	0	0	0	0	113.8	K165	K165-G167 PolarHBondContact O-N 3.08Å
168	Y	97.9	Very high	97.8	Very high	59 Å²	59	42.9 Å²	42.9	23%	0.231	25%	0.253	C	S	.	.			trans	-91	146.7	171.1	-59.4	-57.5	0	0	0	111.8	K130 K165 Q173 A174 D177	K130-Y168 WeakPolarHBondContact CE-O 3.26Å; K130-Y168 PolarHBondContact NZ-O 2.82Å; K165-Y168 HydrophobicContact CB-CD2 3.86Å; K165-Y168 HydrophobicContact CB-CE2 4.01Å; K165-Y168 HydrophobicContact CD-CE2 4.11Å; K165-Y168 PolarHBondContact O-N 3.07Å; Y168-Q173 HydrophobicContact CD1-CB 3.87Å; Y168-Q173 HydrophobicContact CG-CB 4.34Å; Y168-A174 HydrophobicContact CD2-CB 3.86Å; Y168-A174 HydrophobicContact CG-CB 4.12Å; Y168-D177 HydrophobicContact CE2-CB 3.91Å; Y168-D177 VanDerWaalsContact OH-CB 3.25Å; Y168-D177 WeakPolarHBondContact OH-CB 3.4Å; Y168-D177 PolarHBondContact OH-OD2 3.33Å; Y168-D177 VanDerWaalsContact OH-OD2 3.07Å
169	N	96.1	Very high	97.8	Very high	130 Å²	130	44.7 Å²	44.7	70%	0.695	27%	0.265	S	S	*	.	S	Bend	trans	-99.9	-14.1	179.7	-67.3	-37.1	0	0	0	113.5
170	S	96.3	Very high	97.8	Very high	36 Å²	36	44.7 Å²	44.7	25%	0.252	26%	0.264	S	S	.	.	S	Bend	trans	-151.8	162.4	-177	64.6	0	0	0	0	111.8	S172 Q173 A174	S170-S172 PolarHBondContact O-N 3.39Å; S170-S172 PolarHBondContact OG-OG 3.15Å; S170-Q173 PolarHBondContact O-N 3.21Å; S170-Q173 WeakPolarHBondContact OG-CG 3.11Å; S170-Q173 PolarHBondContact OG-N 3.18Å; S170-A174 WeakPolarHBondContact O-CB 3.42Å; S170-A174 PolarHBondContact O-N 2.93Å
171	L	95.8	Very high	97.8	Very high	58 Å²	58	44.6 Å²	44.6	30%	0.304	26%	0.264	S	S	.	.	H	α-helix	trans	-56.1	-41.6	167.6	-83.1	167.5	0	0	0	111.7	I132 V162 I164 Q173 A174 V175 I181	I132-L171 HydrophobicContact CD1-CD1 3.5Å; I132-L171 VanDerWaalsContact CD1-CD1 3.5Å; I132-L171 HydrophobicContact CD1-CD2 3.73Å; I132-L171 HydrophobicContact CD1-CG 3.33Å; V162-L171 HydrophobicContact CG1-CD2 4.09Å; I164-L171 HydrophobicContact CG2-CD2 3.67Å; I164-L171 HydrophobicContact CG2-CG 4.13Å; L171-Q173 PolarHBondContact O-N 2.75Å; L171-A174 PolarHBondContact O-N 2.73Å; L171-A174 VanDerWaalsContact O-N 3.09Å; L171-V175 WeakPolarHBondContact O-CG1 3.41Å; L171-V175 WeakPolarHBondContact O-CG2 3.25Å; L171-V175 PolarHBondContact O-N 3.08Å; L171-I181 HydrophobicContact CD2-CD1 3.86Å; L171-I181 HydrophobicContact CD2-CG1 4.04Å
172	S	96.4	Very high	97.8	Very high	90 Å²	90	44.7 Å²	44.7	63%	0.629	26%	0.264	S	S	*	.	H	α-helix	trans	-60.9	-28.1	-179.2	57	0	0	0	0	113.8	S170 V175	S170-S172 PolarHBondContact O-N 3.39Å; S170-S172 PolarHBondContact OG-OG 3.15Å; S172-V175 VanDerWaalsContact O-CG2 3.31Å; S172-V175 WeakPolarHBondContact O-CG2 3.43Å
173	Q	98.1	Very high	97.8	Very high	82 Å²	82	44.6 Å²	44.6	38%	0.383	26%	0.264	S	S	.	.	H	α-helix	trans	-81.7	-45.9	171	-69	176.7	-6.8	0	0	111.1	Y168 S170 L171 V175 T176	Y168-Q173 HydrophobicContact CD1-CB 3.87Å; Y168-Q173 HydrophobicContact CG-CB 4.34Å; S170-Q173 PolarHBondContact O-N 3.21Å; S170-Q173 WeakPolarHBondContact OG-CG 3.11Å; S170-Q173 PolarHBondContact OG-N 3.18Å; L171-Q173 PolarHBondContact O-N 2.75Å; Q173-V175 VanDerWaalsContact C-N 3.28Å; Q173-V175 PolarHBondContact O-N 3.48Å; Q173-T176 WeakPolarHBondContact O-CB 2.91Å; Q173-T176 PolarHBondContact O-N 3.28Å; Q173-T176 VanDerWaalsContact O-N 3.16Å; Q173-T176 PolarHBondContact O-OG1 2.86Å
174	A	98.1	Very high	97.8	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-60.9	-33.5	-176.3	0	0	0	0	0	113.4	I164 Y168 S170 L171 T176 D177 G180 I181	I164-A174 HydrophobicContact CB-CB 3.98Å; I164-A174 HydrophobicContact CG2-CB 3.77Å; Y168-A174 HydrophobicContact CD2-CB 3.86Å; Y168-A174 HydrophobicContact CG-CB 4.12Å; S170-A174 WeakPolarHBondContact O-CB 3.42Å; S170-A174 PolarHBondContact O-N 2.93Å; L171-A174 PolarHBondContact O-N 2.73Å; L171-A174 VanDerWaalsContact O-N 3.09Å; A174-T176 PolarHBondContact O-N 2.83Å; A174-T176 VanDerWaalsContact O-N 3.07Å; A174-D177 PolarHBondContact O-N 3.36Å; A174-D177 VanDerWaalsContact O-N 3.08Å; A174-G180 WeakPolarHBondContact O-CA 3.43Å; A174-I181 HydrophobicContact CB-CG1 3.96Å
175	V	98.1	Very high	97.8	Very high	31 Å²	31	44.6 Å²	44.6	19%	0.188	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-12.5	178.8	-67.9	0	0	0	0	114.5	L171 S172 Q173 D177 I181 L242 N248 A250	L171-V175 WeakPolarHBondContact O-CG1 3.41Å; L171-V175 WeakPolarHBondContact O-CG2 3.25Å; L171-V175 PolarHBondContact O-N 3.08Å; S172-V175 VanDerWaalsContact O-CG2 3.31Å; S172-V175 WeakPolarHBondContact O-CG2 3.43Å; Q173-V175 VanDerWaalsContact C-N 3.28Å; Q173-V175 PolarHBondContact O-N 3.48Å; V175-D177 VanDerWaalsContact C-N 3.33Å; V175-I181 HydrophobicContact CG1-CD1 3.61Å; V175-L242 HydrophobicContact CG1-CD1 4.08Å; V175-N248 HydrophobicContact CB-CB 3.84Å; V175-N248 HydrophobicContact CG1-CB 3.8Å; V175-A250 HydrophobicContact CB-CB 4.48Å
176	T	97.1	Very high	97.8	Very high	110 Å²	110	42.6 Å²	42.6	68%	0.675	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-14.5	176	67.7	0	0	0	0	113.1	Q173 A174	Q173-T176 WeakPolarHBondContact O-CB 2.91Å; Q173-T176 PolarHBondContact O-N 3.28Å; Q173-T176 VanDerWaalsContact O-N 3.16Å; Q173-T176 PolarHBondContact O-OG1 2.86Å; A174-T176 PolarHBondContact O-N 2.83Å; A174-T176 VanDerWaalsContact O-N 3.07Å
177	D	98.1	Very high	97.8	Very high	21 Å²	21	38.3 Å²	38.3	11%	0.112	24%	0.235	C	C	.	.	S	Bend	trans	-101.7	124.6	175.1	177.6	-16.5	0	0	0	108.9	K165 Y168 A174 V175 T179 G180 A250	K165-D177 WeakPolarHBondContact CD-OD2 3.4Å; K165-D177 IonicContact NZ-OD1 3.87Å; K165-D177 IonicContact NZ-OD2 3.97Å; K165-D177 PolarHBondContact NZ-OD2 2.58Å; Y168-D177 HydrophobicContact CE2-CB 3.91Å; Y168-D177 VanDerWaalsContact OH-CB 3.25Å; Y168-D177 WeakPolarHBondContact OH-CB 3.4Å; Y168-D177 PolarHBondContact OH-OD2 3.33Å; Y168-D177 VanDerWaalsContact OH-OD2 3.07Å; A174-D177 PolarHBondContact O-N 3.36Å; A174-D177 VanDerWaalsContact O-N 3.08Å; V175-D177 VanDerWaalsContact C-N 3.33Å; D177-T179 PolarHBondContact O-N 3.33Å; D177-T179 WeakPolarHBondContact OD1-CA 3.37Å; D177-T179 PolarHBondContact OD1-N 3.21Å; D177-T179 PolarHBondContact OD1-OG1 3.05Å; D177-G180 PolarHBondContact O-N 3.1Å; D177-G180 PolarHBondContact OD1-N 2.75Å; D177-A250 VanDerWaalsContact O-CB 3.26Å; D177-A250 WeakPolarHBondContact O-CB 3.4Å
178	P	97.3	Very high	97.9	Very high	75 Å²	75	35 Å²	35	49%	0.487	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-16.2	177.2	-26.2	35.1	0	0	0	114.9	A250	P178-A250 CarbonylContact O-C 3.49Å
179	T	98	Very high	97.8	Very high	39 Å²	39	37 Å²	37	24%	0.239	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120	15.7	175.3	64.8	0	0	0	0	112.1	Y129 K165 D177 I181 V252	Y129-T179 VanDerWaalsContact CE1-O 3.25Å; Y129-T179 WeakPolarHBondContact CE1-O 3.25Å; Y129-T179 PolarHBondContact OH-O 3.29Å; K165-T179 PolarHBondContact NZ-OG1 3.27Å; D177-T179 PolarHBondContact O-N 3.33Å; D177-T179 WeakPolarHBondContact OD1-CA 3.37Å; D177-T179 PolarHBondContact OD1-N 3.21Å; D177-T179 PolarHBondContact OD1-OG1 3.05Å; T179-I181 PolarHBondContact O-N 3.1Å; T179-V252 HydrophobicContact CG2-CG2 4.18Å
180	G	98.6	Very high	97.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.202	C	C	.	.	S	Bend	trans	-70.6	-18.2	-173.2	0	0	0	0	0	113.9	K165 A174 D177 A250	K165-G180 WeakPolarHBondContact CB-O 3.33Å; K165-G180 PolarHBondContact N-O 3.33Å; A174-G180 WeakPolarHBondContact O-CA 3.43Å; D177-G180 PolarHBondContact O-N 3.1Å; D177-G180 PolarHBondContact OD1-N 2.75Å; G180-A250 PolarHBondContact N-O 3.24Å
181	I	98.9	Very high	97.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	137.1	-178.3	-59.2	160.3	0	0	0	109.5	V162 H163 I164 L171 A174 V175 T179 V183 L242 A250 V251 V252	V162-I181 HydrophobicContact CG1-CG2 4.02Å; H163-I181 WeakPolarHBondContact O-CA 3.3Å; H163-I181 WeakPolarHBondContact O-CG2 3.49Å; I164-I181 HydrophobicContact CG2-CG1 4.42Å; L171-I181 HydrophobicContact CD2-CD1 3.86Å; L171-I181 HydrophobicContact CD2-CG1 4.04Å; A174-I181 HydrophobicContact CB-CG1 3.96Å; V175-I181 HydrophobicContact CG1-CD1 3.61Å; T179-I181 PolarHBondContact O-N 3.1Å; I181-V183 HydrophobicContact CG2-CG2 3.9Å; I181-L242 HydrophobicContact CD1-CD2 4.16Å; I181-L242 HydrophobicContact CD1-CG 4.43Å; I181-A250 HydrophobicContact CD1-CB 4.23Å; I181-A250 PolarHBondContact N-O 3.25Å; I181-A250 VanDerWaalsContact N-O 3.08Å; I181-V251 HydrophobicContact CB-CG2 4.11Å; I181-V251 HydrophobicContact CD1-CG2 4.36Å; I181-V251 HydrophobicContact CG2-CG1 4.35Å; I181-V251 HydrophobicContact CG2-CG2 4.03Å; I181-V251 CarbonylContact O-C 3.57Å; I181-V251 WeakPolarHBondContact O-CA 3.25Å; I181-V252 PolarHBondContact O-N 3.4Å
182	A	98.9	Very high	97.8	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.008	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	128.2	166.9	0	0	0	0	0	109	I120 L125 Y129 H163 V252	I120-A182 HydrophobicContact CD1-CB 4.22Å; L125-A182 HydrophobicContact CD2-CB 4.24Å; Y129-A182 HydrophobicContact CD1-CB 3.48Å; Y129-A182 VanDerWaalsContact CD1-CB 3.48Å; Y129-A182 HydrophobicContact CD2-CB 4.27Å; Y129-A182 HydrophobicContact CE1-CB 3.83Å; Y129-A182 HydrophobicContact CG-CB 3.75Å; H163-A182 WeakPolarHBondContact CA-O 3.41Å; H163-A182 HydrophobicContact CB-CB 4.44Å; H163-A182 WeakPolarHBondContact CB-O 3.49Å; H163-A182 PolarHBondContact N-O 3.35Å; H163-A182 PolarHBondContact ND1-O 3.13Å; H163-A182 PolarHBondContact O-N 3.33Å; A182-V252 WeakPolarHBondContact CA-O 3.33Å
183	V	98.9	Very high	97.8	Very high	3 Å²	3	40.9 Å²	40.9	2%	0.018	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	128.8	176.5	-177.6	0	0	0	0	109.6	H160 I161 V162 I181 V251 V252 W253 T254	H160-V183 HydrophobicContact CB-CG1 3.87Å; I161-V183 WeakPolarHBondContact O-CA 3.45Å; V162-V183 HydrophobicContact CG1-CG2 4.34Å; V162-V183 HydrophobicContact CG2-CG2 4.22Å; I181-V183 HydrophobicContact CG2-CG2 3.9Å; V183-V251 HydrophobicContact CB-CG1 3.92Å; V183-V251 HydrophobicContact CG2-CG1 3.54Å; V183-V252 PolarHBondContact N-O 2.96Å; V183-V252 VanDerWaalsContact N-O 3.11Å; V183-W253 HydrophobicContact CB-CD2 4.2Å; V183-W253 HydrophobicContact CB-CE3 3.95Å; V183-W253 HydrophobicContact CB-CH2 4.04Å; V183-W253 HydrophobicContact CB-CZ2 4.27Å; V183-W253 HydrophobicContact CB-CZ3 3.88Å; V183-W253 HydrophobicContact CG1-CE3 3.87Å; V183-W253 HydrophobicContact CG1-CH2 3.49Å; V183-W253 VanDerWaalsContact CG1-CH2 3.49Å; V183-W253 HydrophobicContact CG1-CZ2 4.19Å; V183-W253 HydrophobicContact CG1-CZ3 3.32Å; V183-T254 PolarHBondContact O-N 3.08Å
184	L	98.9	Very high	97.8	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	120.1	168.7	-55	-172.9	0	0	0	108.7	L90 F92 Y95 I120 H160 I161 F186 T254 F256	L90-L184 HydrophobicContact CD2-CD2 4.07Å; F92-L184 HydrophobicContact CE1-CD1 3.91Å; Y95-L184 WeakPolarHBondContact OH-CD1 3.2Å; I120-L184 HydrophobicContact CD1-CD1 4.3Å; I120-L184 HydrophobicContact CD1-CD2 3.95Å; I120-L184 HydrophobicContact CD1-CG 4.14Å; I120-L184 HydrophobicContact CG2-CD1 4.32Å; H160-L184 WeakPolarHBondContact CA-O 3.35Å; I161-L184 HydrophobicContact CB-CB 4.3Å; I161-L184 PolarHBondContact N-O 2.85Å; I161-L184 PolarHBondContact O-N 3.28Å; L184-F186 HydrophobicContact CB-CD2 4.43Å; L184-F186 HydrophobicContact CB-CE2 3.62Å; L184-F186 HydrophobicContact CB-CZ 4.22Å; L184-F186 HydrophobicContact CD1-CE2 4.38Å; L184-F186 HydrophobicContact CD1-CZ 4.38Å; L184-T254 CarbonylContact C-O 3.59Å; L184-T254 WeakPolarHBondContact CA-O 3.49Å; L184-T254 HydrophobicContact CD2-CG2 4.1Å; L184-F256 HydrophobicContact CB-CE2 4.13Å; L184-F256 HydrophobicContact CD1-CE2 4.23Å; L184-F256 HydrophobicContact CD2-CE2 4.08Å; L184-F256 HydrophobicContact CD2-CZ 4.4Å; L184-F256 HydrophobicContact CG-CE2 4.37Å
185	G	98.9	Very high	97.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	132.1	174.8	0	0	0	0	0	111.6	M159 T254 F256	M159-G185 WeakPolarHBondContact O-CA 3.19Å; G185-T254 PolarHBondContact N-O 2.91Å; G185-F256 PolarHBondContact O-N 3.1Å
186	F	98.9	Very high	97.7	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	124.7	176.9	-60.7	-93.7	0	0	0	110	E158 M159 I161 L184 I226 P227 L232 F256 I260	E158-F186 CarbonylContact C-O 3.56Å; E158-F186 WeakPolarHBondContact CA-O 3.45Å; M159-F186 HydrophobicContact CE-CB 3.95Å; M159-F186 HydrophobicContact CE-CD2 3.53Å; M159-F186 HydrophobicContact CE-CE2 4.2Å; M159-F186 HydrophobicContact CE-CG 3.86Å; M159-F186 PolarHBondContact N-O 2.96Å; M159-F186 PolarHBondContact O-N 2.89Å; I161-F186 HydrophobicContact CD1-CD2 4.42Å; I161-F186 HydrophobicContact CD1-CE2 3.76Å; I161-F186 HydrophobicContact CG1-CD2 4.48Å; I161-F186 HydrophobicContact CG1-CE2 4.12Å; L184-F186 HydrophobicContact CB-CD2 4.43Å; L184-F186 HydrophobicContact CB-CE2 3.62Å; L184-F186 HydrophobicContact CB-CZ 4.22Å; L184-F186 HydrophobicContact CD1-CE2 4.38Å; L184-F186 HydrophobicContact CD1-CZ 4.38Å; F186-I226 HydrophobicContact CD1-CB 4.41Å; F186-I226 HydrophobicContact CD1-CG2 4.27Å; F186-I226 HydrophobicContact CD2-CG2 4.09Å; F186-I226 HydrophobicContact CE1-CB 3.93Å; F186-I226 HydrophobicContact CE1-CG2 3.86Å; F186-I226 HydrophobicContact CE2-CG2 3.68Å; F186-I226 HydrophobicContact CG-CG2 4.36Å; F186-I226 HydrophobicContact CZ-CB 4.04Å; F186-I226 HydrophobicContact CZ-CG2 3.55Å; F186-P227 HydrophobicContact CD1-CG 4.2Å; F186-L232 HydrophobicContact CE1-CD1 4.07Å; F186-L232 HydrophobicContact CE1-CD2 3.86Å; F186-L232 HydrophobicContact CZ-CD1 4.4Å; F186-F256 HydrophobicContact CD1-CB 4.18Å; F186-F256 AromaticContact CD1-CD2 3.73Å; F186-F256 HydrophobicContact CD1-CD2 3.73Å; F186-F256 HydrophobicContact CD1-CG 4.27Å; F186-F256 HydrophobicContact CE1-CB 4.29Å; F186-F256 AromaticContact CE1-CD2 3.22Å; F186-F256 HydrophobicContact CE1-CD2 3.22Å; F186-F256 AromaticContact CE1-CE2 3.66Å; F186-F256 HydrophobicContact CE1-CE2 3.66Å; F186-F256 AromaticContact CE1-CG 3.9Å; F186-F256 HydrophobicContact CE1-CG 3.9Å; F186-F256 HydrophobicContact CE2-CD2 4.11Å; F186-F256 HydrophobicContact CE2-CE2 4.15Å; F186-F256 HydrophobicContact CG-CD2 4.36Å; F186-F256 AromaticContact CZ-CD2 3.45Å; F186-F256 HydrophobicContact CZ-CD2 3.45Å; F186-F256 VanDerWaalsContact CZ-CD2 3.45Å; F186-F256 AromaticContact CZ-CE2 3.43Å; F186-F256 HydrophobicContact CZ-CE2 3.43Å; F186-F256 VanDerWaalsContact CZ-CE2 3.43Å; F186-F256 HydrophobicContact CZ-CG 4.5Å; F186-F256 HydrophobicContact CZ-CZ 4.49Å; F186-I260 HydrophobicContact CB-CD1 3.66Å; F186-I260 HydrophobicContact CB-CG1 4.5Å; F186-I260 HydrophobicContact CG-CD1 4.3Å
187	F	98.7	Very high	97.8	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	145.1	174.8	-60.8	-65.6	0	0	0	111.1	H148 I150 F155 E158 L255 T259 I260	H148-F187 HydrophobicContact CB-CE1 3.83Å; H148-F187 HydrophobicContact CB-CZ 3.71Å; I150-F187 HydrophobicContact CD1-CD2 4.15Å; I150-F187 HydrophobicContact CD1-CE2 3.69Å; I150-F187 HydrophobicContact CD1-CZ 4.39Å; I150-F187 HydrophobicContact CG1-CE2 4.11Å; I150-F187 HydrophobicContact CG1-CZ 4.33Å; F155-F187 HydrophobicContact CB-CB 4.05Å; F155-F187 HydrophobicContact CB-CD1 4.02Å; F155-F187 HydrophobicContact CB-CG 4.36Å; F155-F187 HydrophobicContact CD1-CB 3.85Å; F155-F187 HydrophobicContact CD1-CG 4.4Å; F155-F187 HydrophobicContact CD2-CB 3.9Å; F155-F187 AromaticContact CD2-CD1 3.43Å; F155-F187 HydrophobicContact CD2-CD1 3.43Å; F155-F187 VanDerWaalsContact CD2-CD1 3.43Å; F155-F187 HydrophobicContact CD2-CD2 4.2Å; F155-F187 AromaticContact CD2-CE1 3.96Å; F155-F187 HydrophobicContact CD2-CE1 3.96Å; F155-F187 AromaticContact CD2-CG 3.56Å; F155-F187 HydrophobicContact CD2-CG 3.56Å; F155-F187 HydrophobicContact CE1-CB 4.26Å; F155-F187 HydrophobicContact CE2-CB 4.32Å; F155-F187 HydrophobicContact CE2-CD1 4.1Å; F155-F187 HydrophobicContact CE2-CD2 4.06Å; F155-F187 HydrophobicContact CE2-CE1 4.46Å; F155-F187 HydrophobicContact CE2-CE2 4.43Å; F155-F187 AromaticContact CE2-CG 3.88Å; F155-F187 HydrophobicContact CE2-CG 3.88Å; F155-F187 HydrophobicContact CG-CB 3.65Å; F155-F187 AromaticContact CG-CD1 3.86Å; F155-F187 HydrophobicContact CG-CD1 3.86Å; F155-F187 AromaticContact CG-CG 3.85Å; F155-F187 HydrophobicContact CG-CG 3.85Å; F155-F187 HydrophobicContact CZ-CB 4.49Å; F155-F187 HydrophobicContact CZ-CG 4.42Å; E158-F187 HydrophobicContact CB-CD1 4.45Å; E158-F187 HydrophobicContact CG-CD1 4.29Å; E158-F187 HydrophobicContact CG-CE1 4.31Å; F187-L255 HydrophobicContact CE2-CB 4.47Å; F187-T259 HydrophobicContact CB-CG2 4.26Å; F187-T259 CarbonylContact O-C 3.25Å; F187-T259 VanDerWaalsContact O-CA 3.27Å; F187-T259 WeakPolarHBondContact O-CA 3.27Å; F187-I260 PolarHBondContact O-N 3.44Å
188	F	98.4	Very high	97.7	Very high	1 Å²	1	49.6 Å²	49.6	0%	0.004	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	152	168.1	-68.9	-99.1	0	0	0	110.8	L136 F155 P156 M157 M159 Y198 I260 L262	L136-F188 HydrophobicContact CD2-CE2 3.92Å; L136-F188 HydrophobicContact CD2-CZ 3.76Å; F155-F188 WeakPolarHBondContact CB-O 3.37Å; F155-F188 WeakPolarHBondContact CD1-O 3.38Å; P156-F188 WeakPolarHBondContact CD-O 3.23Å; M157-F188 HydrophobicContact CB-CB 3.88Å; M157-F188 HydrophobicContact CB-CD2 3.5Å; M157-F188 VanDerWaalsContact CB-CD2 3.5Å; M157-F188 HydrophobicContact CB-CE2 4.22Å; M157-F188 HydrophobicContact CB-CG 3.83Å; M157-F188 PolarHBondContact O-N 2.92Å; M159-F188 HydrophobicContact CB-CE2 3.63Å; M159-F188 HydrophobicContact CB-CZ 4.12Å; F188-Y198 AromaticContact CE1-CE1 3.75Å; F188-Y198 HydrophobicContact CE1-CE1 3.75Å; F188-Y198 HydrophobicContact CE1-CE2 4.33Å; F188-Y198 AromaticContact CE1-CZ 3.57Å; F188-Y198 WeakPolarHBondContact CE1-OH 3.47Å; F188-Y198 AromaticContact CZ-CE1 3.98Å; F188-Y198 HydrophobicContact CZ-CE1 3.98Å; F188-Y198 AromaticContact CZ-CZ 3.91Å; F188-Y198 WeakPolarHBondContact CZ-OH 3.28Å; F188-I260 CarbonylContact C-O 3.38Å; F188-I260 VanDerWaalsContact CA-O 3.23Å; F188-I260 WeakPolarHBondContact CA-O 3.4Å; F188-I260 HydrophobicContact CD1-CB 3.64Å; F188-I260 HydrophobicContact CD1-CG2 3.65Å; F188-I260 HydrophobicContact CE1-CB 3.8Å; F188-I260 HydrophobicContact CE1-CD1 4.08Å; F188-I260 HydrophobicContact CE1-CG2 3.5Å; F188-I260 VanDerWaalsContact CE1-CG2 3.5Å; F188-I260 HydrophobicContact CE2-CD1 4.31Å; F188-I260 HydrophobicContact CG-CB 4.24Å; F188-I260 HydrophobicContact CZ-CB 4.49Å; F188-I260 HydrophobicContact CZ-CD1 3.95Å; F188-I260 HydrophobicContact CZ-CG2 4.43Å; F188-L262 HydrophobicContact CD1-CB 4.45Å; F188-L262 HydrophobicContact CD1-CD1 3.32Å; F188-L262 HydrophobicContact CD1-CG 3.6Å; F188-L262 HydrophobicContact CE1-CD1 3.45Å; F188-L262 VanDerWaalsContact CE1-CD1 3.45Å; F188-L262 HydrophobicContact CE1-CG 3.92Å; F188-L262 HydrophobicContact CG-CD1 4.3Å
189	Q	96	Very high	97.7	Very high	100 Å²	100	48.2 Å²	48.2	47%	0.467	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	139	173.4	-172.4	165.8	17.3	0	0	109.8	S191 T259 I260 P261 L262	Q189-S191 PolarHBondContact O-N 2.92Å; Q189-T259 HydrophobicContact CB-CG2 4.27Å; Q189-T259 PolarHBondContact OE1-OG1 3.41Å; Q189-I260 PolarHBondContact N-O 3.24Å; Q189-P261 WeakPolarHBondContact O-CA 3.14Å; Q189-L262 PolarHBondContact O-N 2.89Å
190	E	94.7	Very high	97.7	Very high	101 Å²	101	49.1 Å²	49.1	47%	0.472	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	133.8	176.7	-171.4	172.2	163.7	0	0	110.4	L262 R264	E190-L262 CarbonylContact C-O 3.55Å; E190-L262 WeakPolarHBondContact CA-O 3.41Å; E190-R264 HydrophobicContact CG-CB 4.5Å
191	S	96.1	Very high	97.7	Very high	28 Å²	28	49.2 Å²	49.2	20%	0.196	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	149.9	179.3	172.3	0	0	0	0	110	Q189 S193 L262 S263	Q189-S191 PolarHBondContact O-N 2.92Å; S191-S193 VanDerWaalsContact C-N 3.26Å; S191-S193 WeakPolarHBondContact CB-O 3.38Å; S191-S193 PolarHBondContact O-N 3.26Å; S191-S193 PolarHBondContact OG-N 3.34Å; S191-S193 VanDerWaalsContact OG-N 3.17Å; S191-S193 PolarHBondContact OG-O 2.91Å; S191-S193 PolarHBondContact OG-OG 2.87Å; S191-L262 PolarHBondContact N-O 3.13Å; S191-S263 WeakPolarHBondContact O-CA 3.4Å
192	L	95.8	Very high	97.6	Very high	188 Å²	188	50.2 Å²	50.2	98%	0.984	26%	0.258	S	S	*	.	S	Bend	trans	-71.7	-24.2	173.3	-63.5	178.2	0	0	0	112.5
193	S	96.9	Very high	97.6	Very high	79 Å²	79	54.1 Å²	54.1	55%	0.552	28%	0.279	S	S	*	.	S	Bend	trans	-112.6	148.2	179.8	57.6	0	0	0	0	111.6	S191	S191-S193 VanDerWaalsContact C-N 3.26Å; S191-S193 WeakPolarHBondContact CB-O 3.38Å; S191-S193 PolarHBondContact O-N 3.26Å; S191-S193 PolarHBondContact OG-N 3.34Å; S191-S193 VanDerWaalsContact OG-N 3.17Å; S191-S193 PolarHBondContact OG-O 2.91Å; S191-S193 PolarHBondContact OG-OG 2.87Å
194	E	97.7	Very high	97.5	Very high	113 Å²	113	54.1 Å²	54.1	53%	0.528	28%	0.279	S	S	.	.			trans	-67.7	138.6	173.9	-56.7	-164.4	144.8	0	0	111.2	K196 S265	E194-K196 PolarHBondContact O-N 2.77Å; E194-S265 PolarHBondContact OE1-OG 2.73Å; E194-S265 VanDerWaalsContact OE1-OG 3.08Å
195	N	98.1	Very high	97.5	Very high	30 Å²	30	54.3 Å²	54.3	16%	0.16	28%	0.28	C	S	.	.			trans	-85.5	103.3	170.4	-173.8	-14.1	0	0	0	109.4	K197 Y198 P261 L262 Q266	N195-K197 PolarHBondContact O-N 2.94Å; N195-K197 VanDerWaalsContact O-N 3.1Å; N195-K197 WeakPolarHBondContact OD1-CB 3.46Å; N195-K197 PolarHBondContact OD1-N 2.87Å; N195-Y198 HydrophobicContact CB-CD2 4.42Å; N195-Y198 PolarHBondContact O-N 2.92Å; N195-P261 WeakPolarHBondContact CB-O 3.43Å; N195-P261 PolarHBondContact ND2-O 3.27Å; N195-L262 HydrophobicContact CB-CD2 3.85Å; N195-Q266 PolarHBondContact O-NE2 2.86Å
196	K	97.8	Very high	97.4	Very high	179 Å²	179	61.7 Å²	61.7	78%	0.778	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-60.2	-22.6	-177	-62.7	-175.9	179.2	-177.8	0	113.9	E194 Y198 T199	E194-K196 PolarHBondContact O-N 2.77Å; K196-Y198 PolarHBondContact O-N 3.05Å; K196-T199 WeakPolarHBondContact O-CB 3.34Å; K196-T199 PolarHBondContact O-N 3.44Å; K196-T199 PolarHBondContact O-OG1 3.06Å
197	K	97.3	Very high	97.4	Very high	103 Å²	103	67.6 Å²	67.6	45%	0.448	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-65.5	-25.3	175	-61.6	-173.8	-177.9	-178.2	0	112.4	N195 M224	N195-K197 PolarHBondContact O-N 2.94Å; N195-K197 VanDerWaalsContact O-N 3.1Å; N195-K197 WeakPolarHBondContact OD1-CB 3.46Å; N195-K197 PolarHBondContact OD1-N 2.87Å; K197-M224 HydrophobicContact CB-CG 3.78Å; K197-M224 HydrophobicContact CD-CG 4.28Å; K197-M224 VanDerWaalsContact CD-O 3.25Å; K197-M224 WeakPolarHBondContact CD-O 3.49Å; K197-M224 HydrophobicContact CG-CG 4.23Å
198	Y	97.9	Very high	97.4	Very high	2 Å²	2	67.6 Å²	67.6	1%	0.008	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-93.5	-8.4	179.5	-85.9	-99.7	0	0	0	114	F188 N195 K196 P200 L201 V202 L225 I260 L262	F188-Y198 AromaticContact CE1-CE1 3.75Å; F188-Y198 HydrophobicContact CE1-CE1 3.75Å; F188-Y198 HydrophobicContact CE1-CE2 4.33Å; F188-Y198 AromaticContact CE1-CZ 3.57Å; F188-Y198 WeakPolarHBondContact CE1-OH 3.47Å; F188-Y198 AromaticContact CZ-CE1 3.98Å; F188-Y198 HydrophobicContact CZ-CE1 3.98Å; F188-Y198 AromaticContact CZ-CZ 3.91Å; F188-Y198 WeakPolarHBondContact CZ-OH 3.28Å; N195-Y198 HydrophobicContact CB-CD2 4.42Å; N195-Y198 PolarHBondContact O-N 2.92Å; K196-Y198 PolarHBondContact O-N 3.05Å; Y198-P200 VanDerWaalsContact C-CD 3.48Å; Y198-P200 VanDerWaalsContact C-N 3.34Å; Y198-L201 HydrophobicContact CD1-CD2 4.26Å; Y198-L201 HydrophobicContact CE1-CD2 4.31Å; Y198-L201 PolarHBondContact O-N 2.76Å; Y198-L201 VanDerWaalsContact O-N 3.11Å; Y198-V202 WeakPolarHBondContact O-CG2 3.19Å; Y198-V202 PolarHBondContact O-N 3.37Å; Y198-L225 HydrophobicContact CE1-CD2 4.27Å; Y198-L225 HydrophobicContact CE2-CD2 4.37Å; Y198-L225 PolarHBondContact OH-O 3.46Å; Y198-I260 HydrophobicContact CE2-CG2 3.61Å; Y198-L262 HydrophobicContact CD1-CD1 4.43Å; Y198-L262 HydrophobicContact CD1-CD2 4.07Å; Y198-L262 HydrophobicContact CD2-CD2 3.85Å; Y198-L262 HydrophobicContact CE2-CD2 4.49Å; Y198-L262 HydrophobicContact CG-CD2 3.6Å
199	T	97.3	Very high	97.3	Very high	46 Å²	46	70.8 Å²	70.8	28%	0.282	36%	0.356	S	S	.	.	H	α-helix	trans	-51.9	-45.5	179.6	-59.8	0	0	0	0	112.8	K196 L201 V202 D203	K196-T199 WeakPolarHBondContact O-CB 3.34Å; K196-T199 PolarHBondContact O-N 3.44Å; K196-T199 PolarHBondContact O-OG1 3.06Å; T199-L201 VanDerWaalsContact C-N 3.34Å; T199-L201 PolarHBondContact O-N 3.15Å; T199-V202 PolarHBondContact O-N 3.3Å; T199-D203 WeakPolarHBondContact CG2-OD2 3.32Å; T199-D203 WeakPolarHBondContact O-CB 3.33Å; T199-D203 PolarHBondContact O-N 2.72Å
200	P	97	Very high	97.4	Very high	58 Å²	58	73 Å²	73	38%	0.377	37%	0.365	S	S	.	.	H	α-helix	trans	-59.6	-41.3	178.3	-24.2	35.2	0	0	0	113.6	Y198 A204	Y198-P200 VanDerWaalsContact C-CD 3.48Å; Y198-P200 VanDerWaalsContact C-N 3.34Å; P200-A204 WeakPolarHBondContact O-CB 3.33Å; P200-A204 PolarHBondContact O-N 3.03Å; P200-A204 VanDerWaalsContact O-N 3.16Å
201	L	97.8	Very high	97.4	Very high	2 Å²	2	69.4 Å²	69.4	1%	0.01	35%	0.35	C	S	.	.	H	α-helix	trans	-67.5	-47.4	178.2	-85.1	65.1	0	0	0	110.6	F103 L112 Y198 T199 D203 A204 L205 L217 L225	F103-L201 WeakPolarHBondContact CE1-O 3.38Å; L112-L201 HydrophobicContact CD1-CD2 4.37Å; Y198-L201 HydrophobicContact CD1-CD2 4.26Å; Y198-L201 HydrophobicContact CE1-CD2 4.31Å; Y198-L201 PolarHBondContact O-N 2.76Å; Y198-L201 VanDerWaalsContact O-N 3.11Å; T199-L201 VanDerWaalsContact C-N 3.34Å; T199-L201 PolarHBondContact O-N 3.15Å; L201-D203 PolarHBondContact O-N 2.94Å; L201-A204 PolarHBondContact O-N 3.08Å; L201-L205 PolarHBondContact O-N 2.87Å; L201-L217 HydrophobicContact CD1-CD1 3.92Å; L201-L217 HydrophobicContact CG-CD1 4.06Å; L201-L225 HydrophobicContact CD1-CD2 3.99Å; L201-L225 HydrophobicContact CD2-CD1 4.07Å; L201-L225 HydrophobicContact CD2-CD2 3.78Å
202	V	98	Very high	97.2	Very high	21 Å²	21	74.1 Å²	74.1	13%	0.127	38%	0.378	C	S	.	.	H	α-helix	trans	-63.1	-41.2	-178.5	172	0	0	0	0	111.4	Y198 T199 L205 Q266 A269 F270	Y198-V202 WeakPolarHBondContact O-CG2 3.19Å; Y198-V202 PolarHBondContact O-N 3.37Å; T199-V202 PolarHBondContact O-N 3.3Å; V202-L205 WeakPolarHBondContact O-CB 3.45Å; V202-L205 WeakPolarHBondContact O-CG 3.29Å; V202-L205 PolarHBondContact O-N 3.25Å; V202-Q266 HydrophobicContact CG2-CB 4.11Å; V202-Q266 HydrophobicContact CG2-CG 4.17Å; V202-A269 HydrophobicContact CG1-CB 3.82Å; V202-F270 HydrophobicContact CG2-CE2 4.2Å
203	D	97.9	Very high	97.2	Very high	82 Å²	82	66.7 Å²	66.7	44%	0.439	34%	0.341	S	S	.	.	H	α-helix	trans	-67.4	-37.3	177.6	-77.4	-30.3	0	0	0	112.2	T199 L201 L205 K206	T199-D203 WeakPolarHBondContact CG2-OD2 3.32Å; T199-D203 WeakPolarHBondContact O-CB 3.33Å; T199-D203 PolarHBondContact O-N 2.72Å; L201-D203 PolarHBondContact O-N 2.94Å; D203-L205 PolarHBondContact O-N 3.27Å; D203-K206 PolarHBondContact O-N 2.74Å
204	A	98.1	Very high	97.2	Very high	3 Å²	3	67.6 Å²	67.6	3%	0.025	34%	0.34	C	S	.	.	H	α-helix	trans	-69.3	-17	178.1	0	0	0	0	0	114	F103 P200 L201 K206 Q207 A215 L217	F103-A204 HydrophobicContact CD1-CB 3.85Å; F103-A204 HydrophobicContact CE1-CB 4.19Å; P200-A204 WeakPolarHBondContact O-CB 3.33Å; P200-A204 PolarHBondContact O-N 3.03Å; P200-A204 VanDerWaalsContact O-N 3.16Å; L201-A204 PolarHBondContact O-N 3.08Å; A204-K206 PolarHBondContact O-N 3.12Å; A204-K206 VanDerWaalsContact O-N 3.13Å; A204-Q207 WeakPolarHBondContact O-CB 3.42Å; A204-Q207 PolarHBondContact O-N 3.31Å; A204-A215 HydrophobicContact CB-CB 4.27Å; A204-L217 HydrophobicContact CB-CD2 3.62Å; A204-L217 HydrophobicContact CB-CG 4.32Å
205	L	98.3	Very high	97.2	Very high	5 Å²	5	62.3 Å²	62.3	3%	0.026	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-54.3	-33.1	174.2	-65.9	172.5	0	0	0	112.5	F103 V110 L201 V202 D203 Q207 I208 I209 A269 F270 L273	F103-L205 HydrophobicContact CE1-CD2 3.81Å; F103-L205 HydrophobicContact CE1-CG 4.35Å; F103-L205 HydrophobicContact CZ-CD2 3.74Å; V110-L205 HydrophobicContact CG1-CD2 4.06Å; L201-L205 PolarHBondContact O-N 2.87Å; V202-L205 WeakPolarHBondContact O-CB 3.45Å; V202-L205 WeakPolarHBondContact O-CG 3.29Å; V202-L205 PolarHBondContact O-N 3.25Å; D203-L205 PolarHBondContact O-N 3.27Å; L205-Q207 PolarHBondContact O-N 3.29Å; L205-I208 HydrophobicContact CD2-CD1 4.34Å; L205-I208 PolarHBondContact O-N 3.44Å; L205-I209 PolarHBondContact O-N 3.18Å; L205-A269 HydrophobicContact CD1-CB 3.7Å; L205-F270 HydrophobicContact CD1-CD1 4.06Å; L205-F270 HydrophobicContact CD1-CD2 4.08Å; L205-F270 HydrophobicContact CD1-CE1 4.21Å; L205-F270 HydrophobicContact CD1-CE2 4.22Å; L205-F270 HydrophobicContact CD1-CG 3.99Å; L205-F270 HydrophobicContact CD1-CZ 4.28Å; L205-F270 HydrophobicContact CD2-CD1 3.86Å; L205-F270 HydrophobicContact CD2-CE1 3.97Å; L205-L273 HydrophobicContact CB-CD2 4.31Å; L205-L273 HydrophobicContact CD2-CD1 3.98Å; L205-L273 HydrophobicContact CD2-CD2 4.18Å; L205-L273 HydrophobicContact CD2-CG 4.36Å
206	K	97.4	Very high	97.1	Very high	155 Å²	155	65.3 Å²	65.3	67%	0.674	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-63.3	-23.6	178.3	-63.1	172.4	-174.2	161.7	0	113.2	D203 A204	D203-K206 PolarHBondContact O-N 2.74Å; A204-K206 PolarHBondContact O-N 3.12Å; A204-K206 VanDerWaalsContact O-N 3.13Å
207	Q	98.1	Very high	97.1	Very high	123 Å²	123	57.4 Å²	57.4	58%	0.575	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-87.6	-19.1	177.9	-61.9	177.2	57.8	0	0	112	A204 L205 A215	A204-Q207 WeakPolarHBondContact O-CB 3.42Å; A204-Q207 PolarHBondContact O-N 3.31Å; L205-Q207 PolarHBondContact O-N 3.29Å; Q207-A215 HydrophobicContact CB-CB 3.95Å
208	I	98	Very high	97	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	31%	0.305	C	S	.	.			trans	-115.8	25.4	-173.7	65.8	163.4	0	0	0	114.8	F103 N105 V110 L205 K210 S213 N214 A215 L273	F103-I208 HydrophobicContact CD1-CD1 3.55Å; F103-I208 HydrophobicContact CD1-CG1 4.33Å; F103-I208 HydrophobicContact CD2-CD1 4.31Å; F103-I208 HydrophobicContact CE1-CD1 3.43Å; F103-I208 VanDerWaalsContact CE1-CD1 3.43Å; F103-I208 HydrophobicContact CE1-CG1 4.23Å; F103-I208 HydrophobicContact CE2-CD1 4.24Å; F103-I208 HydrophobicContact CG-CD1 4Å; F103-I208 HydrophobicContact CZ-CD1 3.81Å; N105-I208 HydrophobicContact CB-CB 4.18Å; N105-I208 HydrophobicContact CB-CD1 4.32Å; N105-I208 WeakPolarHBondContact CB-O 3.5Å; N105-I208 PolarHBondContact ND2-O 2.77Å; V110-I208 HydrophobicContact CB-CD1 4.49Å; V110-I208 HydrophobicContact CG1-CD1 3.74Å; L205-I208 HydrophobicContact CD2-CD1 4.34Å; L205-I208 PolarHBondContact O-N 3.44Å; I208-K210 VanDerWaalsContact C-N 3.26Å; I208-K210 PolarHBondContact O-N 2.86Å; I208-S213 VanDerWaalsContact C-OG 3.23Å; I208-S213 WeakPolarHBondContact CA-OG 3.32Å; I208-S213 PolarHBondContact O-OG 2.99Å; I208-N214 VanDerWaalsContact CG2-C 3.41Å; I208-A215 HydrophobicContact CG2-CB 3.86Å; I208-L273 HydrophobicContact CG1-CD2 4.19Å
209	I	98.1	Very high	96.9	Very high	69 Å²	69	61.9 Å²	61.9	35%	0.354	34%	0.335	S	S	.	.			trans	-53.8	-43	-175	-65.4	171.9	0	0	0	111.8	N105 L205 H274	N105-I209 PolarHBondContact ND2-O 3.36Å; L205-I209 PolarHBondContact O-N 3.18Å; I209-H274 PolarHBondContact O-N 2.8Å
210	K	97.5	Very high	96.9	Very high	147 Å²	147	60.1 Å²	60.1	64%	0.639	32%	0.324	S	S	*	.	S	Bend	trans	-93.1	150.9	-177.2	-66.6	-177.3	179.2	-179	0	111.5	I208 S213	I208-K210 VanDerWaalsContact C-N 3.26Å; I208-K210 PolarHBondContact O-N 2.86Å; K210-S213 WeakPolarHBondContact O-CB 3.33Å; K210-S213 PolarHBondContact O-N 2.7Å; K210-S213 PolarHBondContact O-OG 3Å
211	P	95.1	Very high	96.9	Very high	25 Å²	25	58.1 Å²	58.1	16%	0.162	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	151.2	171.1	-25.7	35.5	0	0	0	112.2	N105 S213 H274 P276	N105-P211 CarbonylContact O-C 3.48Å; P211-S213 PolarHBondContact O-N 3.34Å; P211-S213 VanDerWaalsContact O-N 3.08Å; P211-H274 WeakPolarHBondContact CD-O 3.35Å; P211-H274 WeakPolarHBondContact CG-O 3.44Å; P211-P276 HydrophobicContact CB-CG 4.17Å; P211-P276 HydrophobicContact CG-CB 4.39Å; P211-P276 HydrophobicContact CG-CG 3.93Å; P211-P276 VanDerWaalsContact CG-N 3.35Å
212	T	91.9	Very high	97	Very high	127 Å²	127	58.2 Å²	58.2	78%	0.779	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	-4.9	-178.7	72	0	0	0	0	115.5	N105	N105-T212 PolarHBondContact O-N 2.85Å
213	S	95.1	Very high	96.9	Very high	32 Å²	32	60.7 Å²	60.7	22%	0.224	32%	0.322	C	S	.	.			trans	-77.5	148.4	170.4	64.5	0	0	0	0	111.2	N105 I208 K210 P211	N105-S213 PolarHBondContact N-O 3.07Å; I208-S213 VanDerWaalsContact C-OG 3.23Å; I208-S213 WeakPolarHBondContact CA-OG 3.32Å; I208-S213 PolarHBondContact O-OG 2.99Å; K210-S213 WeakPolarHBondContact O-CB 3.33Å; K210-S213 PolarHBondContact O-N 2.7Å; K210-S213 PolarHBondContact O-OG 3Å; P211-S213 PolarHBondContact O-N 3.34Å; P211-S213 VanDerWaalsContact O-N 3.08Å
214	N	96.3	Very high	96.9	Very high	97 Å²	97	59.7 Å²	59.7	52%	0.519	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	159.1	-177.3	63.2	33.5	0	0	0	111.4	T102 F103 I104 I208	T102-N214 HydrophobicContact CG2-CB 3.93Å; F103-N214 CarbonylContact O-C 3.6Å; F103-N214 WeakPolarHBondContact O-CA 3.19Å; I104-N214 HydrophobicContact CG1-CB 3.96Å; I208-N214 VanDerWaalsContact CG2-C 3.41Å
215	A	97.4	Very high	96.9	Very high	3 Å²	3	59.7 Å²	59.7	3%	0.025	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	150.7	171	0	0	0	0	0	108.9	F103 A204 Q207 I208	F103-A215 PolarHBondContact N-O 2.8Å; F103-A215 PolarHBondContact O-N 3.34Å; A204-A215 HydrophobicContact CB-CB 4.27Å; Q207-A215 HydrophobicContact CB-CB 3.95Å; I208-A215 HydrophobicContact CG2-CB 3.86Å
216	T	97.1	Very high	96.9	Very high	93 Å²	93	59.8 Å²	59.8	57%	0.571	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.9	121.4	175.5	-59.7	0	0	0	0	108.7	T100	T100-T216 HydrophobicContact CG2-CG2 3.25Å
217	L	96.8	Very high	96.9	Very high	12 Å²	12	52.9 Å²	52.9	6%	0.063	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	112.6	176.5	-70.5	176.5	0	0	0	109.8	T100 V101 F103 L112 L201 A204 V220	T100-L217 WeakPolarHBondContact CA-O 3.46Å; V101-L217 HydrophobicContact CG2-CB 3.92Å; V101-L217 PolarHBondContact N-O 2.97Å; V101-L217 PolarHBondContact O-N 3.32Å; F103-L217 HydrophobicContact CB-CD1 3.76Å; F103-L217 HydrophobicContact CB-CG 4.13Å; F103-L217 HydrophobicContact CD1-CD1 4.02Å; F103-L217 HydrophobicContact CG-CD1 3.93Å; L112-L217 HydrophobicContact CD2-CD1 4.15Å; L201-L217 HydrophobicContact CD1-CD1 3.92Å; L201-L217 HydrophobicContact CG-CD1 4.06Å; A204-L217 HydrophobicContact CB-CD2 3.62Å; A204-L217 HydrophobicContact CB-CG 4.32Å; L217-V220 HydrophobicContact CB-CG2 3.65Å; L217-V220 HydrophobicContact CD1-CG2 4.36Å
218	P	96.5	Very high	96.9	Very high	81 Å²	81	50.8 Å²	50.8	53%	0.526	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	160.4	172	32.6	-34.1	0	0	0	111.1	V220	P218-V220 VanDerWaalsContact C-N 3.26Å; P218-V220 PolarHBondContact O-N 3.03Å; P218-V220 VanDerWaalsContact O-N 3.14Å
219	D	95.8	Very high	96.8	Very high	119 Å²	119	53.4 Å²	53.4	64%	0.636	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	55.3	31.7	168.3	-57.2	-42.4	0	0	0	116.1	A98 S99	A98-D219 HydrophobicContact CB-CB 4.48Å; S99-D219 PolarHBondContact O-N 3.41Å
220	V	97	Very high	96.6	Very high	8 Å²	8	55.2 Å²	55.2	5%	0.048	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	126.9	175.3	-178.7	0	0	0	0	110	A98 S99 V101 L112 L217 P218 L225	A98-V220 WeakPolarHBondContact CA-O 3.29Å; S99-V220 PolarHBondContact N-O 2.03Å; S99-V220 PolarHBondContact O-N 2.95Å; S99-V220 PolarHBondContact OG-O 3.41Å; V101-V220 HydrophobicContact CG1-CB 4.48Å; V101-V220 HydrophobicContact CG2-CB 3.7Å; V101-V220 HydrophobicContact CG2-CG1 4.1Å; V101-V220 HydrophobicContact CG2-CG2 3.75Å; L112-V220 HydrophobicContact CD1-CG1 4.49Å; L217-V220 HydrophobicContact CB-CG2 3.65Å; L217-V220 HydrophobicContact CD1-CG2 4.36Å; P218-V220 VanDerWaalsContact C-N 3.26Å; P218-V220 PolarHBondContact O-N 3.03Å; P218-V220 VanDerWaalsContact O-N 3.14Å; V220-L225 HydrophobicContact CG1-CD1 4.07Å
221	S	97.8	Very high	96.4	Very high	16 Å²	16	49.8 Å²	49.8	11%	0.112	30%	0.296	C	S	.	.			trans	-117.4	149.6	167.3	70.9	0	0	0	0	110	Y95 H96 K97 E223 M224	Y95-S221 WeakPolarHBondContact O-CB 3.36Å; H96-S221 WeakPolarHBondContact O-CB 3.2Å; K97-S221 WeakPolarHBondContact O-CB 3.35Å; S221-E223 VanDerWaalsContact C-N 3.27Å; S221-E223 PolarHBondContact O-N 3.09Å; S221-M224 WeakPolarHBondContact O-CB 3.48Å; S221-M224 PolarHBondContact O-N 3.05Å; S221-M224 PolarHBondContact OG-N 3.21Å
222	L	98.2	Very high	96.5	Very high	5 Å²	5	48.8 Å²	48.8	3%	0.026	29%	0.29	C	S	.	.	H	α-helix	trans	-64.5	-34.9	177.5	-76	-175.9	0	0	0	112	Y95 L114 I118 L134 I161 M224 L225 I226	Y95-L222 HydrophobicContact CD1-CB 3.51Å; Y95-L222 HydrophobicContact CD1-CD1 4Å; Y95-L222 HydrophobicContact CD1-CG 4.45Å; Y95-L222 HydrophobicContact CE1-CB 3.86Å; Y95-L222 HydrophobicContact CE1-CD1 3.65Å; Y95-L222 HydrophobicContact CE1-CG 4.43Å; Y95-L222 HydrophobicContact CE2-CD1 4.19Å; Y95-L222 HydrophobicContact CG-CB 4.14Å; Y95-L222 HydrophobicContact CG-CD1 4.43Å; Y95-L222 PolarHBondContact O-N 3.28Å; L114-L222 HydrophobicContact CD1-CD1 4.03Å; L114-L222 HydrophobicContact CD1-CD2 4.15Å; L114-L222 HydrophobicContact CD2-CD2 3.69Å; L114-L222 HydrophobicContact CD2-CG 4.18Å; I118-L222 HydrophobicContact CD1-CD1 4.2Å; I118-L222 HydrophobicContact CD1-CG 4.41Å; I118-L222 HydrophobicContact CG2-CD1 3.78Å; L134-L222 HydrophobicContact CD1-CD2 3.57Å; I161-L222 HydrophobicContact CD1-CD1 4.4Å; I161-L222 HydrophobicContact CD1-CD2 4.21Å; I161-L222 HydrophobicContact CG2-CD1 4.05Å; L222-M224 PolarHBondContact O-N 2.87Å; L222-L225 PolarHBondContact O-N 2.69Å; L222-I226 WeakPolarHBondContact O-CG1 2.94Å; L222-I226 PolarHBondContact O-N 3.08Å
223	E	97.5	Very high	96.5	Very high	72 Å²	72	45.4 Å²	45.4	34%	0.336	27%	0.267	S	S	.	.	H	α-helix	trans	-60.8	-28.4	178.1	-168.8	172.8	147.1	0	0	112.8	Y95 H96 S221 L225 L229	Y95-E223 WeakPolarHBondContact O-CB 3.26Å; Y95-E223 PolarHBondContact O-N 2.93Å; H96-E223 WeakPolarHBondContact CB-OE2 3.47Å; S221-E223 VanDerWaalsContact C-N 3.27Å; S221-E223 PolarHBondContact O-N 3.09Å; E223-L225 VanDerWaalsContact C-N 3.25Å; E223-L225 PolarHBondContact O-N 3.22Å; E223-L229 HydrophobicContact CG-CG 4.41Å
224	M	97	Very high	96.6	Very high	62 Å²	62	48.3 Å²	48.3	31%	0.305	28%	0.276	S	S	.	.	H	α-helix	trans	-64.2	-32.2	172.7	-179.2	-176.2	-66	0	0	112.3	K197 S221 L222	K197-M224 HydrophobicContact CB-CG 3.78Å; K197-M224 HydrophobicContact CD-CG 4.28Å; K197-M224 VanDerWaalsContact CD-O 3.25Å; K197-M224 WeakPolarHBondContact CD-O 3.49Å; K197-M224 HydrophobicContact CG-CG 4.23Å; S221-M224 WeakPolarHBondContact O-CB 3.48Å; S221-M224 PolarHBondContact O-N 3.05Å; S221-M224 PolarHBondContact OG-N 3.21Å; L222-M224 PolarHBondContact O-N 2.87Å
225	L	98.3	Very high	96.7	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.01	25%	0.251	C	S	.	.	H	α-helix	trans	-97.5	-5.1	-170.8	-56.3	-179.7	0	0	0	113.6	L112 L134 M159 Y198 L201 V220 L222 E223 I260	L112-L225 HydrophobicContact CD1-CD1 3.8Å; L134-L225 HydrophobicContact CD1-CD1 3.97Å; M159-L225 WeakPolarHBondContact CE-O 3.4Å; Y198-L225 HydrophobicContact CE1-CD2 4.27Å; Y198-L225 HydrophobicContact CE2-CD2 4.37Å; Y198-L225 PolarHBondContact OH-O 3.46Å; L201-L225 HydrophobicContact CD1-CD2 3.99Å; L201-L225 HydrophobicContact CD2-CD1 4.07Å; L201-L225 HydrophobicContact CD2-CD2 3.78Å; V220-L225 HydrophobicContact CG1-CD1 4.07Å; L222-L225 PolarHBondContact O-N 2.69Å; E223-L225 VanDerWaalsContact C-N 3.25Å; E223-L225 PolarHBondContact O-N 3.22Å; L225-I260 WeakPolarHBondContact O-CD1 3.35Å
226	I	98.5	Very high	96.7	Very high	7 Å²	7	43.8 Å²	43.8	4%	0.036	25%	0.25	C	S	.	.	S	Bend	trans	-115.1	164	179	59.8	179.7	0	0	0	110.9	Y95 M159 I161 F186 L222 L229 L232	Y95-I226 HydrophobicContact CD1-CD1 3.66Å; Y95-I226 HydrophobicContact CE1-CD1 3.9Å; M159-I226 HydrophobicContact CE-CG2 3.5Å; M159-I226 VanDerWaalsContact CE-CG2 3.5Å; I161-I226 HydrophobicContact CD1-CG2 3.78Å; F186-I226 HydrophobicContact CD1-CB 4.41Å; F186-I226 HydrophobicContact CD1-CG2 4.27Å; F186-I226 HydrophobicContact CD2-CG2 4.09Å; F186-I226 HydrophobicContact CE1-CB 3.93Å; F186-I226 HydrophobicContact CE1-CG2 3.86Å; F186-I226 HydrophobicContact CE2-CG2 3.68Å; F186-I226 HydrophobicContact CG-CG2 4.36Å; F186-I226 HydrophobicContact CZ-CB 4.04Å; F186-I226 HydrophobicContact CZ-CG2 3.55Å; L222-I226 WeakPolarHBondContact O-CG1 2.94Å; L222-I226 PolarHBondContact O-N 3.08Å; I226-L229 HydrophobicContact CD1-CD2 3.57Å; I226-L229 HydrophobicContact CG1-CD2 4.49Å; I226-L232 HydrophobicContact CD1-CD1 4.16Å
227	P	98.2	Very high	96.8	Very high	10 Å²	10	39.8 Å²	39.8	7%	0.065	23%	0.225	C	C	.	.	S	Bend	trans	-57.3	156.5	168.1	-21.4	33.8	0	0	0	110.9	F186 L229 S231 L232 I260	F186-P227 HydrophobicContact CD1-CG 4.2Å; P227-L229 PolarHBondContact O-N 2.74Å; P227-S231 WeakPolarHBondContact CB-OG 3.03Å; P227-L232 HydrophobicContact CB-CD2 3.95Å; P227-L232 HydrophobicContact CG-CD2 4.16Å; P227-I260 HydrophobicContact CG-CG1 3.86Å
228	P	96.9	Very high	96.9	Very high	79 Å²	79	39.4 Å²	39.4	51%	0.513	22%	0.223	S	C	.	.			trans	-50.7	134.3	177.8	-24.9	33.6	0	0	0	111	S230 S231	P228-S230 PolarHBondContact O-N 2.76Å; P228-S231 WeakPolarHBondContact O-CA 3.21Å; P228-S231 WeakPolarHBondContact O-CB 3.07Å; P228-S231 PolarHBondContact O-N 3.07Å; P228-S231 PolarHBondContact O-OG 3.44Å
229	L	95.7	Very high	97	Very high	56 Å²	56	39.1 Å²	39.1	29%	0.293	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-54.8	-31.5	-175.1	-61.2	-177.2	0	0	0	112.9	F92 E223 I226 P227 S231 L232	F92-L229 HydrophobicContact CB-CD1 4.2Å; F92-L229 HydrophobicContact CB-CD2 4.48Å; F92-L229 HydrophobicContact CD1-CD2 4.25Å; F92-L229 HydrophobicContact CD2-CD1 4.35Å; F92-L229 HydrophobicContact CD2-CD2 3.85Å; F92-L229 HydrophobicContact CE1-CD2 4.45Å; F92-L229 HydrophobicContact CE2-CD2 4.07Å; F92-L229 HydrophobicContact CG-CD1 4.43Å; F92-L229 HydrophobicContact CG-CD2 3.94Å; F92-L229 HydrophobicContact CZ-CD2 4.36Å; E223-L229 HydrophobicContact CG-CG 4.41Å; I226-L229 HydrophobicContact CD1-CD2 3.57Å; I226-L229 HydrophobicContact CG1-CD2 4.49Å; P227-L229 PolarHBondContact O-N 2.74Å; L229-S231 PolarHBondContact O-N 2.95Å; L229-L232 HydrophobicContact CD2-CD1 3.87Å; L229-L232 WeakPolarHBondContact O-CB 3.49Å; L229-L232 PolarHBondContact O-N 2.83Å; L229-L232 VanDerWaalsContact O-N 3.15Å
230	S	93.3	Very high	97.1	Very high	107 Å²	107	33.4 Å²	33.4	75%	0.748	19%	0.186	S	C	*	.	G	3₁₀ helix	trans	-63.1	-21.1	175.2	56	0	0	0	0	114.4	P228	P228-S230 PolarHBondContact O-N 2.76Å
231	S	94.7	Very high	97.2	Very high	32 Å²	32	33 Å²	33	22%	0.224	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-92.5	-1.5	177.3	73.4	0	0	0	0	113.8	P227 P228 L229 N233 S258	P227-S231 WeakPolarHBondContact CB-OG 3.03Å; P228-S231 WeakPolarHBondContact O-CA 3.21Å; P228-S231 WeakPolarHBondContact O-CB 3.07Å; P228-S231 PolarHBondContact O-N 3.07Å; P228-S231 PolarHBondContact O-OG 3.44Å; L229-S231 PolarHBondContact O-N 2.95Å; S231-N233 VanDerWaalsContact C-N 3.28Å; S231-N233 PolarHBondContact O-N 2.88Å; S231-S258 PolarHBondContact O-OG 3.14Å
232	L	96.1	Very high	97.3	Very high	4 Å²	4	34 Å²	34	2%	0.021	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	28.5	-175.3	-58.8	-172.8	0	0	0	113	F92 F186 I226 P227 L229 F256	F92-L232 HydrophobicContact CE1-CD1 4.45Å; F92-L232 HydrophobicContact CE2-CD1 4.23Å; F92-L232 HydrophobicContact CZ-CD1 3.78Å; F186-L232 HydrophobicContact CE1-CD1 4.07Å; F186-L232 HydrophobicContact CE1-CD2 3.86Å; F186-L232 HydrophobicContact CZ-CD1 4.4Å; I226-L232 HydrophobicContact CD1-CD1 4.16Å; P227-L232 HydrophobicContact CB-CD2 3.95Å; P227-L232 HydrophobicContact CG-CD2 4.16Å; L229-L232 HydrophobicContact CD2-CD1 3.87Å; L229-L232 WeakPolarHBondContact O-CB 3.49Å; L229-L232 PolarHBondContact O-N 2.83Å; L229-L232 VanDerWaalsContact O-N 3.15Å; L232-F256 HydrophobicContact CB-CD1 3.85Å; L232-F256 HydrophobicContact CB-CE1 3.61Å; L232-F256 HydrophobicContact CB-CZ 4.26Å; L232-F256 HydrophobicContact CD1-CE1 4.49Å; L232-F256 HydrophobicContact CD1-CZ 4.39Å; L232-F256 HydrophobicContact CD2-CB 4.28Å; L232-F256 HydrophobicContact CD2-CD1 3.84Å; L232-F256 HydrophobicContact CD2-CD2 4.47Å; L232-F256 HydrophobicContact CD2-CE1 4.3Å; L232-F256 HydrophobicContact CD2-CG 3.94Å; L232-F256 HydrophobicContact CG-CD1 4.35Å; L232-F256 HydrophobicContact CG-CE1 4.34Å; L232-F256 WeakPolarHBondContact O-CE1 3.31Å
233	N	92.8	Very high	97.3	Very high	56 Å²	56	34 Å²	34	30%	0.299	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-13.1	-179.4	63.9	-22.7	0	0	0	113.8	S231 S299	S231-N233 VanDerWaalsContact C-N 3.28Å; S231-N233 PolarHBondContact O-N 2.88Å; N233-S299 PolarHBondContact O-OG 2.96Å
234	K	96.1	Very high	97.3	Very high	94 Å²	94	32.4 Å²	32.4	41%	0.409	18%	0.183	S	C	.	.			trans	-115.6	116.9	178.8	-63.8	-177.8	-176.3	177.8	0	110.7	E257 S299	K234-E257 HydrophobicContact CB-CB 4.42Å; K234-E257 HydrophobicContact CB-CG 4.49Å; K234-E257 WeakPolarHBondContact CB-OE1 3.45Å; K234-E257 PolarHBondContact O-N 2.95Å; K234-S299 VanDerWaalsContact CA-OG 3.31Å; K234-S299 WeakPolarHBondContact CA-OG 3.47Å
235	Y	98.3	Very high	97.3	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	157.3	-176.6	59.6	-97.5	0	0	0	111.8	L87 T88 L90 G123 T254 L255 F256 Y298 S299	L87-Y235 VanDerWaalsContact C-OH 3.3Å; L87-Y235 WeakPolarHBondContact CA-OH 3.5Å; L87-Y235 HydrophobicContact CB-CE2 4.1Å; L87-Y235 HydrophobicContact CD1-CE2 4.28Å; L87-Y235 HydrophobicContact CD2-CE2 4.22Å; L87-Y235 HydrophobicContact CG-CE2 4.43Å; T88-Y235 PolarHBondContact O-OH 2.56Å; L90-Y235 HydrophobicContact CD1-CD1 4.25Å; L90-Y235 HydrophobicContact CD1-CE1 3.78Å; L90-Y235 HydrophobicContact CD1-CE2 4.47Å; G123-Y235 VanDerWaalsContact CA-OH 3.29Å; G123-Y235 WeakPolarHBondContact CA-OH 3.33Å; Y235-T254 HydrophobicContact CD2-CG2 3.59Å; Y235-T254 HydrophobicContact CE2-CG2 4.17Å; Y235-T254 HydrophobicContact CG-CG2 3.78Å; Y235-L255 CarbonylContact C-O 3.26Å; Y235-L255 WeakPolarHBondContact CA-O 3.24Å; Y235-L255 VanDerWaalsContact CB-O 3.3Å; Y235-L255 WeakPolarHBondContact CB-O 3.47Å; Y235-F256 HydrophobicContact CD1-CD1 4.29Å; Y235-F256 AromaticContact CD1-CE1 3.9Å; Y235-F256 HydrophobicContact CD1-CE1 3.9Å; Y235-F256 HydrophobicContact CG-CD1 4.37Å; Y235-F256 HydrophobicContact CG-CE1 4.2Å; Y235-Y298 WeakPolarHBondContact O-CD2 3.36Å; Y235-S299 VanDerWaalsContact CD1-OG 3.24Å; Y235-S299 WeakPolarHBondContact CD1-OG 3.33Å; Y235-S299 WeakPolarHBondContact CE1-OG 3.12Å; Y235-S299 PolarHBondContact N-OG 2.92Å; Y235-S299 PolarHBondContact O-N 3.1Å; Y235-S299 PolarHBondContact O-OG 2.75Å
236	F	98.7	Very high	97.3	Very high	4 Å²	4	34.4 Å²	34.4	2%	0.018	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	147.3	170.6	-52.8	-76.2	0	0	0	110.3	I76 T78 T81 I150 T254 L255 E257 V296 L297 Y298	I76-F236 HydrophobicContact CG2-CB 4.46Å; I76-F236 HydrophobicContact CG2-CD1 3.64Å; I76-F236 HydrophobicContact CG2-CD2 4.05Å; I76-F236 HydrophobicContact CG2-CE1 3.8Å; I76-F236 HydrophobicContact CG2-CE2 4.19Å; I76-F236 HydrophobicContact CG2-CG 3.77Å; I76-F236 HydrophobicContact CG2-CZ 4.08Å; T78-F236 HydrophobicContact CG2-CE1 4.42Å; T78-F236 HydrophobicContact CG2-CZ 4.04Å; T81-F236 HydrophobicContact CG2-CD1 3.86Å; T81-F236 HydrophobicContact CG2-CE1 3.91Å; I150-F236 HydrophobicContact CD1-CE2 4.08Å; F236-T254 CarbonylContact O-C 3.6Å; F236-T254 WeakPolarHBondContact O-CA 3.4Å; F236-L255 HydrophobicContact CB-CB 4.38Å; F236-L255 HydrophobicContact CD2-CB 4.4Å; F236-L255 PolarHBondContact N-O 3.34Å; F236-L255 PolarHBondContact O-N 2.96Å; F236-E257 HydrophobicContact CE2-CG 3.7Å; F236-E257 HydrophobicContact CZ-CG 4.02Å; F236-V296 HydrophobicContact CB-CG1 3.88Å; F236-V296 HydrophobicContact CD1-CG1 4.2Å; F236-V296 HydrophobicContact CG-CG1 4.41Å; F236-L297 CarbonylContact C-O 3.47Å; F236-L297 VanDerWaalsContact CA-O 3.31Å; F236-L297 WeakPolarHBondContact CA-O 3.42Å; F236-Y298 AromaticContact CD1-CD2 3.54Å; F236-Y298 HydrophobicContact CD1-CD2 3.54Å; F236-Y298 HydrophobicContact CD1-CE2 4.29Å; F236-Y298 HydrophobicContact CD1-CG 4.38Å; F236-Y298 AromaticContact CE1-CD2 3.4Å; F236-Y298 HydrophobicContact CE1-CD2 3.4Å; F236-Y298 AromaticContact CE1-CE2 3.81Å; F236-Y298 HydrophobicContact CE1-CE2 3.81Å; F236-Y298 HydrophobicContact CE1-CG 4.27Å; F236-Y298 HydrophobicContact CG-CD2 4.39Å; F236-Y298 HydrophobicContact CZ-CD2 4.17Å; F236-Y298 HydrophobicContact CZ-CE2 4.14Å
237	R	98.7	Very high	97.3	Very high	10 Å²	10	34.1 Å²	34.1	4%	0.038	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	130.7	179.3	169.3	64.7	55.1	68.7	7.9	110.5	L87 G123 V252 W253 T254 L297	L87-R237 HydrophobicContact CD1-CB 3.85Å; L87-R237 HydrophobicContact CD2-CB 4.12Å; L87-R237 HydrophobicContact CD2-CG 4.04Å; G123-R237 PolarHBondContact O-NH1 3.44Å; G123-R237 PolarHBondContact O-NH2 2.96Å; R237-V252 VanDerWaalsContact CD-CG1 3.43Å; R237-W253 WeakPolarHBondContact CA-O 3.24Å; R237-W253 WeakPolarHBondContact CD-O 3.46Å; R237-W253 PolarHBondContact NE-O 3.18Å; R237-T254 PolarHBondContact NE-OG1 3.29Å; R237-T254 VanDerWaalsContact NE-OG1 3.09Å; R237-T254 PolarHBondContact NH2-OG1 2.89Å; R237-L297 HydrophobicContact CB-CB 4.16Å; R237-L297 HydrophobicContact CG-CD1 4.45Å; R237-L297 PolarHBondContact N-O 3.21Å; R237-L297 PolarHBondContact O-N 3.05Å
238	Y	98.8	Very high	97.3	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.016	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	160.4	170.6	78.9	-78.7	0	0	0	111.7	S72 V74 H148 W253 L255	S72-Y238 VanDerWaalsContact CB-OH 3.32Å; S72-Y238 WeakPolarHBondContact CB-OH 3.22Å; S72-Y238 WeakPolarHBondContact OG-CE2 3.49Å; S72-Y238 PolarHBondContact OG-OH 2.84Å; V74-Y238 HydrophobicContact CG1-CE2 4.1Å; V74-Y238 HydrophobicContact CG2-CD1 4.39Å; V74-Y238 HydrophobicContact CG2-CD2 4.36Å; V74-Y238 HydrophobicContact CG2-CE1 3.93Å; V74-Y238 HydrophobicContact CG2-CE2 3.91Å; H148-Y238 AromaticContact NE2-CE1 3.72Å; H148-Y238 AromaticContact NE2-CZ 3.6Å; H148-Y238 PolarHBondContact NE2-OH 3.39Å; Y238-W253 HydrophobicContact CD1-CB 3.58Å; Y238-W253 HydrophobicContact CD1-CG 4.3Å; Y238-W253 HydrophobicContact CE1-CB 3.28Å; Y238-W253 AromaticContact CE1-CD1 3.95Å; Y238-W253 HydrophobicContact CE1-CD2 4.37Å; Y238-W253 AromaticContact CE1-CG 3.57Å; Y238-W253 HydrophobicContact CE1-CG 3.57Å; Y238-W253 AromaticContact CE2-CD1 3.96Å; Y238-W253 HydrophobicContact CE2-CG 4.39Å; Y238-W253 HydrophobicContact CG-CB 4.33Å; Y238-W253 AromaticContact CZ-CD1 3.51Å; Y238-W253 AromaticContact CZ-CG 3.61Å; Y238-W253 PolarHBondContact N-O 3.23Å; Y238-W253 PolarHBondContact O-N 3Å; Y238-L255 HydrophobicContact CE1-CD1 4.25Å
239	N	98.7	Very high	97.4	Very high	74 Å²	74	33.2 Å²	33.2	40%	0.396	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	129.1	172.9	-66.4	-14	0	0	0	109.8	V251 R294	N239-V251 CarbonylContact C-O 3.49Å; N239-V251 WeakPolarHBondContact CA-O 3.26Å; N239-R294 WeakPolarHBondContact O-CD 3.45Å; N239-R294 PolarHBondContact O-NH1 3.46Å
240	G	98.8	Very high	97.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	-150.3	-171.7	0	0	0	0	0	113	R70 S72 E249 A250 V251	R70-G240 CarbonylContact O-C 3.52Å; R70-G240 VanDerWaalsContact O-C 3.26Å; R70-G240 VanDerWaalsContact O-CA 3.22Å; R70-G240 WeakPolarHBondContact O-CA 3.2Å; S72-G240 WeakPolarHBondContact OG-CA 3.35Å; G240-E249 CarbonylContact O-C 3.47Å; G240-E249 VanDerWaalsContact O-C 3.25Å; G240-E249 WeakPolarHBondContact O-CA 3.49Å; G240-A250 PolarHBondContact O-N 2.93Å; G240-V251 PolarHBondContact N-O 2.83Å; G240-V251 PolarHBondContact O-N 3.44Å
241	S	98.9	Very high	97.8	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.135	C	C	.	.			trans	-126.7	172.3	-178.9	74	0	0	0	0	113	R70 Q71 S72 C247 N248 W253	R70-S241 PolarHBondContact O-N 3.42Å; Q71-S241 WeakPolarHBondContact CA-OG 3.38Å; S72-S241 WeakPolarHBondContact CB-O 3.46Å; S72-S241 PolarHBondContact N-OG 3.27Å; S72-S241 PolarHBondContact OG-N 3.13Å; S72-S241 PolarHBondContact OG-O 3.36Å; S241-C247 WeakPolarHBondContact CB-O 3.16Å; S241-N248 CarbonylContact C-O 3.59Å; S241-N248 WeakPolarHBondContact CA-O 3.35Å; S241-N248 WeakPolarHBondContact CB-O 3.35Å; S241-W253 PolarHBondContact O-NE1 3.38Å
242	L	98.8	Very high	98	Very high	37 Å²	37	24.6 Å²	24.6	19%	0.194	13%	0.127	C	C	.	.			trans	-60.9	148.4	155	-63.6	174.5	0	0	0	109.4	V175 I181 N248 V251	V175-L242 HydrophobicContact CG1-CD1 4.08Å; I181-L242 HydrophobicContact CD1-CD2 4.16Å; I181-L242 HydrophobicContact CD1-CG 4.43Å; L242-N248 HydrophobicContact CD1-CB 4.29Å; L242-N248 PolarHBondContact N-O 3.38Å; L242-V251 HydrophobicContact CD2-CG2 3.88Å; L242-V251 HydrophobicContact CG-CG2 4.09Å
243	T	98.6	Very high	98.1	Very high	5 Å²	5	24.5 Å²	24.5	3%	0.031	13%	0.127	C	C	.	.	S	Bend	trans	-99	3.8	-176	54	0	0	0	0	113.6	W59 E147 W253 R286	W59-T243 VanDerWaalsContact CZ3-O 3.25Å; W59-T243 WeakPolarHBondContact CZ3-O 3.15Å; E147-T243 WeakPolarHBondContact OE2-CB 3.41Å; E147-T243 VanDerWaalsContact OE2-CG2 3.26Å; E147-T243 WeakPolarHBondContact OE2-CG2 3.23Å; E147-T243 PolarHBondContact OE2-OG1 3.32Å; T243-W253 HydrophobicContact CG2-CH2 4.35Å; T243-W253 HydrophobicContact CG2-CZ2 3.82Å; T243-R286 WeakPolarHBondContact O-CD 3.42Å
244	T	97.9	Very high	98.4	Very high	38 Å²	38	21.9 Å²	21.9	23%	0.233	11%	0.113	C	C	.	.	S	Bend	trans	-128.9	158.4	170	56.5	0	0	0	0	109.4	W41 N246 C247	W41-T244 HydrophobicContact CH2-CG2 3.52Å; W41-T244 HydrophobicContact CZ2-CG2 4.13Å; W41-T244 HydrophobicContact CZ3-CG2 4.04Å; T244-N246 PolarHBondContact O-N 2.83Å; T244-C247 WeakPolarHBondContact O-CA 3.16Å; T244-C247 PolarHBondContact O-N 3.13Å
245	P	97.6	Very high	98.5	Very high	22 Å²	22	17.4 Å²	17.4	14%	0.143	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	133.5	175.1	-30.2	40.1	0	0	0	111.7	W41 W59 I62	W41-P245 HydrophobicContact CB-CB 4.48Å; W41-P245 HydrophobicContact CB-CG 3.75Å; W41-P245 HydrophobicContact CD2-CG 4.02Å; W41-P245 HydrophobicContact CE3-CG 4.49Å; W41-P245 HydrophobicContact CG-CB 4.19Å; W41-P245 HydrophobicContact CG-CG 3.68Å; W59-P245 HydrophobicContact CB-CG 4.2Å; W59-P245 HydrophobicContact CD2-CG 3.58Å; W59-P245 HydrophobicContact CE3-CG 3.85Å; W59-P245 HydrophobicContact CG-CG 3.75Å; W59-P245 HydrophobicContact CZ3-CG 4.47Å; I62-P245 HydrophobicContact CG2-CB 4.36Å
246	N	97.1	Very high	98.6	Very high	84 Å²	84	17.4 Å²	17.4	45%	0.449	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	cis	-88.2	10.1	16.8	-69.1	-43.9	0	0	0	116.6	S63 Q65 T244 N248	S63-N246 VanDerWaalsContact CB-OD1 3.26Å; S63-N246 WeakPolarHBondContact CB-OD1 3.4Å; S63-N246 WeakPolarHBondContact OG-CB 3.4Å; S63-N246 PolarHBondContact OG-O 3.26Å; S63-N246 PolarHBondContact OG-OD1 2.94Å; Q65-N246 WeakPolarHBondContact CB-O 3.43Å; Q65-N246 PolarHBondContact OE1-O 3.07Å; T244-N246 PolarHBondContact O-N 2.83Å; N246-N248 WeakPolarHBondContact CB-OD1 3.16Å; N246-N248 PolarHBondContact O-N 3.08Å; N246-N248 VanDerWaalsContact O-N 3.14Å
247	C	98.5	Very high	98.4	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.109	C	C	.	.			trans	55.7	32.3	175.1	-42.3	0	0	0	0	115.3	C66 Q71 S241 T244 E249	C66-C247 VanDerWaalsContact CA-SG 3.58Å; C66-C247 HydrophobicContact CB-CB 3.75Å; C66-C247 WeakPolarHBondContact CB-SG 3.36Å; C66-C247 WeakPolarHBondContact SG-CB 3.31Å; C66-C247 CovalentContact SG-SG 2.05Å; C66-C247 PolarHBondContact SG-SG 3.17Å; Q71-C247 PolarHBondContact NE2-O 2.83Å; S241-C247 WeakPolarHBondContact CB-O 3.16Å; T244-C247 WeakPolarHBondContact O-CA 3.16Å; T244-C247 PolarHBondContact O-N 3.13Å; C247-E249 PolarHBondContact O-N 3.33Å
248	N	98.6	Very high	98.4	Very high	20 Å²	20	21.9 Å²	21.9	11%	0.107	12%	0.118	C	C	.	.			trans	-55.5	130	-178.9	-61.4	81.9	0	0	0	111.7	Q65 V175 S241 L242 N246 A250	Q65-N248 PolarHBondContact OE1-ND2 2.83Å; V175-N248 HydrophobicContact CB-CB 3.84Å; V175-N248 HydrophobicContact CG1-CB 3.8Å; S241-N248 CarbonylContact C-O 3.59Å; S241-N248 WeakPolarHBondContact CA-O 3.35Å; S241-N248 WeakPolarHBondContact CB-O 3.35Å; L242-N248 HydrophobicContact CD1-CB 4.29Å; L242-N248 PolarHBondContact N-O 3.38Å; N246-N248 WeakPolarHBondContact CB-OD1 3.16Å; N246-N248 PolarHBondContact O-N 3.08Å; N246-N248 VanDerWaalsContact O-N 3.14Å; N248-A250 HydrophobicContact CB-CB 4.29Å; N248-A250 PolarHBondContact O-N 3.42Å
249	E	98.7	Very high	98.3	Very high	51 Å²	51	23.5 Å²	23.5	24%	0.238	13%	0.129	C	C	.	.	S	Bend	trans	-78.8	51.7	178.1	-59.1	-171.6	158	0	0	113.1	G68 S69 R70 Q71 G240 C247	G68-E249 WeakPolarHBondContact CA-OE1 3.49Å; S69-E249 PolarHBondContact N-OE1 2.88Å; R70-E249 WeakPolarHBondContact CA-OE1 3.48Å; R70-E249 HydrophobicContact CB-CB 4.44Å; R70-E249 HydrophobicContact CB-CG 4.23Å; R70-E249 PolarHBondContact N-OE1 2.85Å; R70-E249 PolarHBondContact NH2-O 3.23Å; Q71-E249 VanDerWaalsContact NE2-CG 3.3Å; Q71-E249 PolarHBondContact NE2-OE1 3.18Å; G240-E249 CarbonylContact O-C 3.47Å; G240-E249 VanDerWaalsContact O-C 3.25Å; G240-E249 WeakPolarHBondContact O-CA 3.49Å; C247-E249 PolarHBondContact O-N 3.33Å
250	A	98.6	Very high	98.3	Very high	2 Å²	2	20.2 Å²	20.2	2%	0.017	11%	0.111	C	C	.	.			trans	-117.2	11	-170	0	0	0	0	0	113.6	V175 D177 P178 G180 I181 G240 N248	V175-A250 HydrophobicContact CB-CB 4.48Å; D177-A250 VanDerWaalsContact O-CB 3.26Å; D177-A250 WeakPolarHBondContact O-CB 3.4Å; P178-A250 CarbonylContact O-C 3.49Å; G180-A250 PolarHBondContact N-O 3.24Å; I181-A250 HydrophobicContact CD1-CB 4.23Å; I181-A250 PolarHBondContact N-O 3.25Å; I181-A250 VanDerWaalsContact N-O 3.08Å; G240-A250 PolarHBondContact O-N 2.93Å; N248-A250 HydrophobicContact CB-CB 4.29Å; N248-A250 PolarHBondContact O-N 3.42Å
251	V	98.9	Very high	98.2	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	127.8	-168.5	-174.9	0	0	0	0	111.9	I181 V183 N239 G240 L242 W253	I181-V251 HydrophobicContact CB-CG2 4.11Å; I181-V251 HydrophobicContact CD1-CG2 4.36Å; I181-V251 HydrophobicContact CG2-CG1 4.35Å; I181-V251 HydrophobicContact CG2-CG2 4.03Å; I181-V251 CarbonylContact O-C 3.57Å; I181-V251 WeakPolarHBondContact O-CA 3.25Å; V183-V251 HydrophobicContact CB-CG1 3.92Å; V183-V251 HydrophobicContact CG2-CG1 3.54Å; N239-V251 CarbonylContact C-O 3.49Å; N239-V251 WeakPolarHBondContact CA-O 3.26Å; G240-V251 PolarHBondContact N-O 2.83Å; G240-V251 PolarHBondContact O-N 3.44Å; L242-V251 HydrophobicContact CD2-CG2 3.88Å; L242-V251 HydrophobicContact CG-CG2 4.09Å; V251-W253 HydrophobicContact CG1-CD2 4.18Å; V251-W253 HydrophobicContact CG1-CG 4Å; V251-W253 HydrophobicContact CG1-CZ2 4.46Å
252	V	98.9	Very high	98.2	Very high	11 Å²	11	23.2 Å²	23.2	7%	0.067	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	106.3	164.3	-173.8	0	0	0	0	108.3	L125 T179 I181 A182 V183 R237	L125-V252 HydrophobicContact CD2-CB 4.43Å; L125-V252 HydrophobicContact CD2-CG1 3.94Å; T179-V252 HydrophobicContact CG2-CG2 4.18Å; I181-V252 PolarHBondContact O-N 3.4Å; A182-V252 WeakPolarHBondContact CA-O 3.33Å; V183-V252 PolarHBondContact N-O 2.96Å; V183-V252 VanDerWaalsContact N-O 3.11Å; R237-V252 VanDerWaalsContact CD-CG1 3.43Å
253	W	98.9	Very high	98.1	Very high	3 Å²	3	21.7 Å²	21.7	1%	0.011	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	138.2	-176.8	-82.6	94.7	0	0	0	112.1	S72 H148 H160 V183 R237 Y238 S241 T243 V251 L255	S72-W253 PolarHBondContact OG-NE1 3.14Å; S72-W253 VanDerWaalsContact OG-NE1 3.1Å; H148-W253 AromaticContact CE1-CD2 3.88Å; H148-W253 AromaticContact CE1-CE3 3.59Å; H148-W253 AromaticContact CE1-CH2 3.72Å; H148-W253 AromaticContact CE1-CZ3 3.49Å; H148-W253 VanDerWaalsContact CE1-CZ3 3.49Å; H148-W253 WeakPolarHBondContact CE1-CZ3 3.33Å; H160-W253 AromaticContact CD2-CH2 3.57Å; H160-W253 AromaticContact CD2-CZ3 3.48Å; H160-W253 VanDerWaalsContact CD2-CZ3 3.48Å; H160-W253 WeakPolarHBondContact CD2-CZ3 3.31Å; H160-W253 AromaticContact CE1-CH2 3.56Å; H160-W253 AromaticContact CG-CH2 3.89Å; H160-W253 AromaticContact ND1-CH2 3.88Å; H160-W253 AromaticContact NE2-CH2 3.34Å; H160-W253 VanDerWaalsContact NE2-CH2 3.34Å; H160-W253 WeakPolarHBondContact NE2-CH2 3.42Å; H160-W253 AromaticContact NE2-CZ3 3.47Å; H160-W253 WeakPolarHBondContact NE2-CZ3 3.37Å; V183-W253 HydrophobicContact CB-CD2 4.2Å; V183-W253 HydrophobicContact CB-CE3 3.95Å; V183-W253 HydrophobicContact CB-CH2 4.04Å; V183-W253 HydrophobicContact CB-CZ2 4.27Å; V183-W253 HydrophobicContact CB-CZ3 3.88Å; V183-W253 HydrophobicContact CG1-CE3 3.87Å; V183-W253 HydrophobicContact CG1-CH2 3.49Å; V183-W253 VanDerWaalsContact CG1-CH2 3.49Å; V183-W253 HydrophobicContact CG1-CZ2 4.19Å; V183-W253 HydrophobicContact CG1-CZ3 3.32Å; R237-W253 WeakPolarHBondContact CA-O 3.24Å; R237-W253 WeakPolarHBondContact CD-O 3.46Å; R237-W253 PolarHBondContact NE-O 3.18Å; Y238-W253 HydrophobicContact CD1-CB 3.58Å; Y238-W253 HydrophobicContact CD1-CG 4.3Å; Y238-W253 HydrophobicContact CE1-CB 3.28Å; Y238-W253 AromaticContact CE1-CD1 3.95Å; Y238-W253 HydrophobicContact CE1-CD2 4.37Å; Y238-W253 AromaticContact CE1-CG 3.57Å; Y238-W253 HydrophobicContact CE1-CG 3.57Å; Y238-W253 AromaticContact CE2-CD1 3.96Å; Y238-W253 HydrophobicContact CE2-CG 4.39Å; Y238-W253 HydrophobicContact CG-CB 4.33Å; Y238-W253 AromaticContact CZ-CD1 3.51Å; Y238-W253 AromaticContact CZ-CG 3.61Å; Y238-W253 PolarHBondContact N-O 3.23Å; Y238-W253 PolarHBondContact O-N 3Å; S241-W253 PolarHBondContact O-NE1 3.38Å; T243-W253 HydrophobicContact CG2-CH2 4.35Å; T243-W253 HydrophobicContact CG2-CZ2 3.82Å; V251-W253 HydrophobicContact CG1-CD2 4.18Å; V251-W253 HydrophobicContact CG1-CG 4Å; V251-W253 HydrophobicContact CG1-CZ2 4.46Å; W253-L255 HydrophobicContact CE3-CD2 3.76Å; W253-L255 HydrophobicContact CZ3-CD2 4.15Å
254	T	98.9	Very high	97.9	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.006	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	110.2	168.3	-58.3	0	0	0	0	108.8	L90 V183 L184 G185 Y235 F236 R237 F256	L90-T254 HydrophobicContact CD1-CG2 4.05Å; V183-T254 PolarHBondContact O-N 3.08Å; L184-T254 CarbonylContact C-O 3.59Å; L184-T254 WeakPolarHBondContact CA-O 3.49Å; L184-T254 HydrophobicContact CD2-CG2 4.1Å; G185-T254 PolarHBondContact N-O 2.91Å; Y235-T254 HydrophobicContact CD2-CG2 3.59Å; Y235-T254 HydrophobicContact CE2-CG2 4.17Å; Y235-T254 HydrophobicContact CG-CG2 3.78Å; F236-T254 CarbonylContact O-C 3.6Å; F236-T254 WeakPolarHBondContact O-CA 3.4Å; R237-T254 PolarHBondContact NE-OG1 3.29Å; R237-T254 VanDerWaalsContact NE-OG1 3.09Å; R237-T254 PolarHBondContact NH2-OG1 2.89Å; T254-F256 HydrophobicContact CG2-CE1 4.2Å; T254-F256 HydrophobicContact CG2-CE2 4.07Å; T254-F256 HydrophobicContact CG2-CZ 3.85Å
255	L	98.8	Very high	97.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	115.9	-179.8	-57.9	175.4	0	0	0	109.5	I76 H148 F187 Y235 F236 Y238 W253	I76-L255 HydrophobicContact CD1-CD1 4.02Å; I76-L255 HydrophobicContact CG1-CD1 3.9Å; H148-L255 HydrophobicContact CB-CD1 4Å; H148-L255 VanDerWaalsContact CD2-CD1 3.48Å; H148-L255 WeakPolarHBondContact CD2-CD1 3.43Å; F187-L255 HydrophobicContact CE2-CB 4.47Å; Y235-L255 CarbonylContact C-O 3.26Å; Y235-L255 WeakPolarHBondContact CA-O 3.24Å; Y235-L255 VanDerWaalsContact CB-O 3.3Å; Y235-L255 WeakPolarHBondContact CB-O 3.47Å; F236-L255 HydrophobicContact CB-CB 4.38Å; F236-L255 HydrophobicContact CD2-CB 4.4Å; F236-L255 PolarHBondContact N-O 3.34Å; F236-L255 PolarHBondContact O-N 2.96Å; Y238-L255 HydrophobicContact CE1-CD1 4.25Å; W253-L255 HydrophobicContact CE3-CD2 3.76Å; W253-L255 HydrophobicContact CZ3-CD2 4.15Å
256	F	98.6	Very high	97.8	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	141.2	179.9	-66.7	-77.6	0	0	0	111.6	L90 F92 L184 G185 F186 L232 Y235 T254	L90-F256 HydrophobicContact CD1-CE1 4.25Å; L90-F256 HydrophobicContact CD1-CZ 4.01Å; F92-F256 HydrophobicContact CZ-CZ 4.26Å; L184-F256 HydrophobicContact CB-CE2 4.13Å; L184-F256 HydrophobicContact CD1-CE2 4.23Å; L184-F256 HydrophobicContact CD2-CE2 4.08Å; L184-F256 HydrophobicContact CD2-CZ 4.4Å; L184-F256 HydrophobicContact CG-CE2 4.37Å; G185-F256 PolarHBondContact O-N 3.1Å; F186-F256 HydrophobicContact CD1-CB 4.18Å; F186-F256 AromaticContact CD1-CD2 3.73Å; F186-F256 HydrophobicContact CD1-CD2 3.73Å; F186-F256 HydrophobicContact CD1-CG 4.27Å; F186-F256 HydrophobicContact CE1-CB 4.29Å; F186-F256 AromaticContact CE1-CD2 3.22Å; F186-F256 HydrophobicContact CE1-CD2 3.22Å; F186-F256 AromaticContact CE1-CE2 3.66Å; F186-F256 HydrophobicContact CE1-CE2 3.66Å; F186-F256 AromaticContact CE1-CG 3.9Å; F186-F256 HydrophobicContact CE1-CG 3.9Å; F186-F256 HydrophobicContact CE2-CD2 4.11Å; F186-F256 HydrophobicContact CE2-CE2 4.15Å; F186-F256 HydrophobicContact CG-CD2 4.36Å; F186-F256 AromaticContact CZ-CD2 3.45Å; F186-F256 HydrophobicContact CZ-CD2 3.45Å; F186-F256 VanDerWaalsContact CZ-CD2 3.45Å; F186-F256 AromaticContact CZ-CE2 3.43Å; F186-F256 HydrophobicContact CZ-CE2 3.43Å; F186-F256 VanDerWaalsContact CZ-CE2 3.43Å; F186-F256 HydrophobicContact CZ-CG 4.5Å; F186-F256 HydrophobicContact CZ-CZ 4.49Å; L232-F256 HydrophobicContact CB-CD1 3.85Å; L232-F256 HydrophobicContact CB-CE1 3.61Å; L232-F256 HydrophobicContact CB-CZ 4.26Å; L232-F256 HydrophobicContact CD1-CE1 4.49Å; L232-F256 HydrophobicContact CD1-CZ 4.39Å; L232-F256 HydrophobicContact CD2-CB 4.28Å; L232-F256 HydrophobicContact CD2-CD1 3.84Å; L232-F256 HydrophobicContact CD2-CD2 4.47Å; L232-F256 HydrophobicContact CD2-CE1 4.3Å; L232-F256 HydrophobicContact CD2-CG 3.94Å; L232-F256 HydrophobicContact CG-CD1 4.35Å; L232-F256 HydrophobicContact CG-CE1 4.34Å; L232-F256 WeakPolarHBondContact O-CE1 3.31Å; Y235-F256 HydrophobicContact CD1-CD1 4.29Å; Y235-F256 AromaticContact CD1-CE1 3.9Å; Y235-F256 HydrophobicContact CD1-CE1 3.9Å; Y235-F256 HydrophobicContact CG-CD1 4.37Å; Y235-F256 HydrophobicContact CG-CE1 4.2Å; T254-F256 HydrophobicContact CG2-CE1 4.2Å; T254-F256 HydrophobicContact CG2-CE2 4.07Å; T254-F256 HydrophobicContact CG2-CZ 3.85Å
257	E	95.9	Very high	97.7	Very high	75 Å²	75	25.1 Å²	25.1	35%	0.35	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	-31.3	172.2	-74.8	-170.8	-102.6	0	0	112.4	K234 F236 T259 Y298	K234-E257 HydrophobicContact CB-CB 4.42Å; K234-E257 HydrophobicContact CB-CG 4.49Å; K234-E257 WeakPolarHBondContact CB-OE1 3.45Å; K234-E257 PolarHBondContact O-N 2.95Å; F236-E257 HydrophobicContact CE2-CG 3.7Å; F236-E257 HydrophobicContact CZ-CG 4.02Å; E257-T259 PolarHBondContact O-N 3.23Å; E257-Y298 WeakPolarHBondContact OE1-CE2 3.43Å; E257-Y298 PolarHBondContact OE1-OH 3.13Å
258	S	97.1	Very high	97.6	Very high	33 Å²	33	26.4 Å²	26.4	23%	0.231	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	122.8	179.2	-65.5	0	0	0	0	110.5	S231	S231-S258 PolarHBondContact O-OG 3.14Å
259	T	97.8	Very high	97.5	Very high	38 Å²	38	26.6 Å²	26.6	23%	0.233	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	156.2	-177.2	59.5	0	0	0	0	112.3	F155 F187 Q189 E257	F155-T259 HydrophobicContact CD1-CG2 4.38Å; F155-T259 HydrophobicContact CE1-CG2 3.91Å; F187-T259 HydrophobicContact CB-CG2 4.26Å; F187-T259 CarbonylContact O-C 3.25Å; F187-T259 VanDerWaalsContact O-CA 3.27Å; F187-T259 WeakPolarHBondContact O-CA 3.27Å; Q189-T259 HydrophobicContact CB-CG2 4.27Å; Q189-T259 PolarHBondContact OE1-OG1 3.41Å; E257-T259 PolarHBondContact O-N 3.23Å
260	I	98.6	Very high	97.4	Very high	4 Å²	4	24.2 Å²	24.2	2%	0.021	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	117.5	173.7	-60.2	161.2	0	0	0	108.7	M159 F186 F187 F188 Q189 Y198 L225 P227	M159-I260 HydrophobicContact CE-CD1 3.71Å; F186-I260 HydrophobicContact CB-CD1 3.66Å; F186-I260 HydrophobicContact CB-CG1 4.5Å; F186-I260 HydrophobicContact CG-CD1 4.3Å; F187-I260 PolarHBondContact O-N 3.44Å; F188-I260 CarbonylContact C-O 3.38Å; F188-I260 VanDerWaalsContact CA-O 3.23Å; F188-I260 WeakPolarHBondContact CA-O 3.4Å; F188-I260 HydrophobicContact CD1-CB 3.64Å; F188-I260 HydrophobicContact CD1-CG2 3.65Å; F188-I260 HydrophobicContact CE1-CB 3.8Å; F188-I260 HydrophobicContact CE1-CD1 4.08Å; F188-I260 HydrophobicContact CE1-CG2 3.5Å; F188-I260 VanDerWaalsContact CE1-CG2 3.5Å; F188-I260 HydrophobicContact CE2-CD1 4.31Å; F188-I260 HydrophobicContact CG-CB 4.24Å; F188-I260 HydrophobicContact CZ-CB 4.49Å; F188-I260 HydrophobicContact CZ-CD1 3.95Å; F188-I260 HydrophobicContact CZ-CG2 4.43Å; Q189-I260 PolarHBondContact N-O 3.24Å; Y198-I260 HydrophobicContact CE2-CG2 3.61Å; L225-I260 WeakPolarHBondContact O-CD1 3.35Å; P227-I260 HydrophobicContact CG-CG1 3.86Å
261	P	97.6	Very high	97.3	Very high	63 Å²	63	24.1 Å²	24.1	41%	0.409	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	133.2	178.2	29	-33	0	0	0	110.6	Q189 N195	Q189-P261 WeakPolarHBondContact O-CA 3.14Å; N195-P261 WeakPolarHBondContact CB-O 3.43Å; N195-P261 PolarHBondContact ND2-O 3.27Å
262	L	97.3	Very high	97.2	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	145	167.9	-75.5	-176.4	0	0	0	110.4	M157 F188 Q189 E190 S191 N195 Y198 Q266 V267	M157-L262 HydrophobicContact SD-CD1 4.07Å; F188-L262 HydrophobicContact CD1-CB 4.45Å; F188-L262 HydrophobicContact CD1-CD1 3.32Å; F188-L262 HydrophobicContact CD1-CG 3.6Å; F188-L262 HydrophobicContact CE1-CD1 3.45Å; F188-L262 VanDerWaalsContact CE1-CD1 3.45Å; F188-L262 HydrophobicContact CE1-CG 3.92Å; F188-L262 HydrophobicContact CG-CD1 4.3Å; Q189-L262 PolarHBondContact O-N 2.89Å; E190-L262 CarbonylContact C-O 3.55Å; E190-L262 WeakPolarHBondContact CA-O 3.41Å; S191-L262 PolarHBondContact N-O 3.13Å; N195-L262 HydrophobicContact CB-CD2 3.85Å; Y198-L262 HydrophobicContact CD1-CD1 4.43Å; Y198-L262 HydrophobicContact CD1-CD2 4.07Å; Y198-L262 HydrophobicContact CD2-CD2 3.85Å; Y198-L262 HydrophobicContact CE2-CD2 4.49Å; Y198-L262 HydrophobicContact CG-CD2 3.6Å; L262-Q266 HydrophobicContact CB-CB 4.38Å; L262-Q266 HydrophobicContact CD2-CB 4.23Å; L262-V267 HydrophobicContact CB-CG2 3.91Å; L262-V267 HydrophobicContact CD1-CG2 4.29Å
263	S	96.9	Very high	97.1	Very high	6 Å²	6	28.8 Å²	28.8	4%	0.042	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	158.6	171.3	71.4	0	0	0	0	111.5	S191 S265 Q266 V267	S191-S263 WeakPolarHBondContact O-CA 3.4Å; S263-S265 PolarHBondContact O-N 2.75Å; S263-S265 PolarHBondContact OG-OG 2.96Å; S263-Q266 VanDerWaalsContact N-OE1 3.15Å; S263-Q266 PolarHBondContact O-N 2.67Å; S263-Q266 VanDerWaalsContact O-N 3.12Å; S263-Q266 VanDerWaalsContact OG-CG 3.29Å; S263-Q266 WeakPolarHBondContact OG-CG 3.46Å; S263-Q266 PolarHBondContact OG-N 3.46Å; S263-Q266 PolarHBondContact OG-OE1 3.09Å; S263-V267 WeakPolarHBondContact O-CG2 3.5Å; S263-V267 PolarHBondContact O-N 3.3Å
264	R	95.2	Very high	97.1	Very high	146 Å²	146	31.7 Å²	31.7	55%	0.551	17%	0.169	S	C	*	.	H	α-helix	trans	-58	-34.7	173.5	-168.3	170.6	-178.6	179.2	1.5	113.2	N141 E190 S268	N141-R264 PolarHBondContact O-NE 2.88Å; E190-R264 HydrophobicContact CG-CB 4.5Å; R264-S268 VanDerWaalsContact O-CB 3.29Å; R264-S268 WeakPolarHBondContact O-CB 3.25Å; R264-S268 PolarHBondContact O-N 2.98Å; R264-S268 PolarHBondContact O-OG 2.93Å
265	S	95.8	Very high	97	Very high	67 Å²	67	31.8 Å²	31.8	47%	0.469	17%	0.169	S	C	.	.	H	α-helix	trans	-63.5	-45.1	175.5	53.5	0	0	0	0	111.2	E194 S263 S268 A269	E194-S265 PolarHBondContact OE1-OG 2.73Å; E194-S265 VanDerWaalsContact OE1-OG 3.08Å; S263-S265 PolarHBondContact O-N 2.75Å; S263-S265 PolarHBondContact OG-OG 2.96Å; S265-S268 PolarHBondContact O-N 2.93Å; S265-A269 PolarHBondContact O-N 2.92Å; S265-A269 VanDerWaalsContact O-N 3.08Å
266	Q	97.3	Very high	96.8	Very high	4 Å²	4	35.9 Å²	35.9	2%	0.019	20%	0.196	C	C	.	.	H	α-helix	trans	-63.5	-44.2	177.7	-70.3	178.6	-58.9	0	0	111.7	N195 V202 L262 S263 A269 F270	N195-Q266 PolarHBondContact O-NE2 2.86Å; V202-Q266 HydrophobicContact CG2-CB 4.11Å; V202-Q266 HydrophobicContact CG2-CG 4.17Å; L262-Q266 HydrophobicContact CB-CB 4.38Å; L262-Q266 HydrophobicContact CD2-CB 4.23Å; S263-Q266 VanDerWaalsContact N-OE1 3.15Å; S263-Q266 PolarHBondContact O-N 2.67Å; S263-Q266 VanDerWaalsContact O-N 3.12Å; S263-Q266 VanDerWaalsContact OG-CG 3.29Å; S263-Q266 WeakPolarHBondContact OG-CG 3.46Å; S263-Q266 PolarHBondContact OG-N 3.46Å; S263-Q266 PolarHBondContact OG-OE1 3.09Å; Q266-A269 WeakPolarHBondContact O-CB 3.36Å; Q266-A269 PolarHBondContact O-N 3.37Å; Q266-F270 VanDerWaalsContact O-CD2 3.24Å; Q266-F270 WeakPolarHBondContact O-CD2 3.36Å; Q266-F270 WeakPolarHBondContact O-CE2 3.23Å
267	V	95.6	Very high	96.6	Very high	4 Å²	4	39.4 Å²	39.4	2%	0.024	22%	0.215	C	C	.	.	H	α-helix	trans	-63.6	-42.7	176.3	177.4	0	0	0	0	111.4	P156 M157 L262 S263 A269 F270	P156-V267 HydrophobicContact CB-CG1 4.48Å; M157-V267 HydrophobicContact CG-CG1 3.87Å; M157-V267 HydrophobicContact CG-CG2 4.42Å; M157-V267 HydrophobicContact SD-CB 4.13Å; M157-V267 HydrophobicContact SD-CG1 3.79Å; M157-V267 HydrophobicContact SD-CG2 3.83Å; L262-V267 HydrophobicContact CB-CG2 3.91Å; L262-V267 HydrophobicContact CD1-CG2 4.29Å; S263-V267 WeakPolarHBondContact O-CG2 3.5Å; S263-V267 PolarHBondContact O-N 3.3Å; V267-A269 PolarHBondContact O-N 3.19Å; V267-F270 PolarHBondContact O-N 3.21Å
268	S	95.4	Very high	96.5	Very high	27 Å²	27	38 Å²	38	19%	0.189	22%	0.22	C	C	.	.	H	α-helix	trans	-68.8	-23.2	-178	-56.3	0	0	0	0	113	R264 S265 F270 C271	R264-S268 VanDerWaalsContact O-CB 3.29Å; R264-S268 WeakPolarHBondContact O-CB 3.25Å; R264-S268 PolarHBondContact O-N 2.98Å; R264-S268 PolarHBondContact O-OG 2.93Å; S265-S268 PolarHBondContact O-N 2.93Å; S268-F270 VanDerWaalsContact C-N 3.27Å; S268-F270 PolarHBondContact O-N 3.26Å; S268-C271 WeakPolarHBondContact O-CB 3.33Å; S268-C271 PolarHBondContact O-N 2.76Å; S268-C271 VanDerWaalsContact O-N 3.13Å
269	A	96.9	Very high	96.3	Very high	24 Å²	24	40.4 Å²	40.4	20%	0.198	23%	0.225	C	C	.	.	H	α-helix	trans	-61.6	-34.9	175.2	0	0	0	0	0	112.3	V202 L205 S265 Q266 V267 C271 Q272	V202-A269 HydrophobicContact CG1-CB 3.82Å; L205-A269 HydrophobicContact CD1-CB 3.7Å; S265-A269 PolarHBondContact O-N 2.92Å; S265-A269 VanDerWaalsContact O-N 3.08Å; Q266-A269 WeakPolarHBondContact O-CB 3.36Å; Q266-A269 PolarHBondContact O-N 3.37Å; V267-A269 PolarHBondContact O-N 3.19Å; A269-C271 VanDerWaalsContact C-N 3.25Å; A269-C271 PolarHBondContact O-N 2.72Å; A269-Q272 WeakPolarHBondContact O-CB 3.07Å; A269-Q272 PolarHBondContact O-N 2.82Å
270	F	97.3	Very high	96.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-66.2	-28.2	176.2	-67.9	-93.7	0	0	0	112.6	V110 L136 W138 M157 V202 L205 Q266 V267 S268 Q272 L273	V110-F270 HydrophobicContact CG2-CD1 4.01Å; V110-F270 HydrophobicContact CG2-CE1 3.87Å; L136-F270 HydrophobicContact CD2-CE1 4.39Å; L136-F270 HydrophobicContact CD2-CZ 4.48Å; W138-F270 HydrophobicContact CD2-CB 3.85Å; W138-F270 HydrophobicContact CE3-CB 4.27Å; W138-F270 HydrophobicContact CE3-CD1 4.26Å; W138-F270 HydrophobicContact CG-CB 4.16Å; W138-F270 HydrophobicContact CZ2-CB 4.19Å; W138-F270 HydrophobicContact CZ3-CD1 4.21Å; M157-F270 HydrophobicContact CE-CB 4.4Å; M157-F270 HydrophobicContact CE-CD1 4.07Å; M157-F270 HydrophobicContact CE-CD2 3.66Å; M157-F270 HydrophobicContact CE-CE1 4.25Å; M157-F270 HydrophobicContact CE-CE2 3.87Å; M157-F270 HydrophobicContact CE-CG 3.78Å; M157-F270 HydrophobicContact CE-CZ 4.16Å; M157-F270 HydrophobicContact SD-CD2 4.23Å; M157-F270 HydrophobicContact SD-CE2 4.43Å; V202-F270 HydrophobicContact CG2-CE2 4.2Å; L205-F270 HydrophobicContact CD1-CD1 4.06Å; L205-F270 HydrophobicContact CD1-CD2 4.08Å; L205-F270 HydrophobicContact CD1-CE1 4.21Å; L205-F270 HydrophobicContact CD1-CE2 4.22Å; L205-F270 HydrophobicContact CD1-CG 3.99Å; L205-F270 HydrophobicContact CD1-CZ 4.28Å; L205-F270 HydrophobicContact CD2-CD1 3.86Å; L205-F270 HydrophobicContact CD2-CE1 3.97Å; Q266-F270 VanDerWaalsContact O-CD2 3.24Å; Q266-F270 WeakPolarHBondContact O-CD2 3.36Å; Q266-F270 WeakPolarHBondContact O-CE2 3.23Å; V267-F270 PolarHBondContact O-N 3.21Å; S268-F270 VanDerWaalsContact C-N 3.27Å; S268-F270 PolarHBondContact O-N 3.26Å; F270-Q272 PolarHBondContact O-N 3.38Å; F270-L273 WeakPolarHBondContact O-CG 3.2Å; F270-L273 PolarHBondContact O-N 2.85Å
271	C	96.2	Very high	96.2	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.007	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-10.8	178.3	-58.5	0	0	0	0	113.1	N141 S268 A269 L273 I282	N141-C271 PolarHBondContact N-SG 2.81Å; S268-C271 WeakPolarHBondContact O-CB 3.33Å; S268-C271 PolarHBondContact O-N 2.76Å; S268-C271 VanDerWaalsContact O-N 3.13Å; A269-C271 VanDerWaalsContact C-N 3.25Å; A269-C271 PolarHBondContact O-N 2.72Å; C271-L273 VanDerWaalsContact C-N 3.32Å; C271-I282 HydrophobicContact CB-CG2 3.88Å
272	Q	96.1	Very high	96.2	Very high	108 Å²	108	40.5 Å²	40.5	51%	0.505	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-7.2	178.7	-57.2	-59.9	-50.3	0	0	113.3	A269 F270	A269-Q272 WeakPolarHBondContact O-CB 3.07Å; A269-Q272 PolarHBondContact O-N 2.82Å; F270-Q272 PolarHBondContact O-N 3.38Å
273	L	98	Very high	96.2	Very high	1 Å²	1	44 Å²	44	1%	0.005	23%	0.234	C	C	.	.			trans	-74	160.3	174.1	-56.8	-178.1	0	0	0	110.3	V110 W138 L205 I208 F270 C271 E280 M281	V110-L273 HydrophobicContact CG1-CD1 3.16Å; W138-L273 HydrophobicContact CH2-CD1 4.1Å; W138-L273 HydrophobicContact CZ2-CD1 4.13Å; L205-L273 HydrophobicContact CB-CD2 4.31Å; L205-L273 HydrophobicContact CD2-CD1 3.98Å; L205-L273 HydrophobicContact CD2-CD2 4.18Å; L205-L273 HydrophobicContact CD2-CG 4.36Å; I208-L273 HydrophobicContact CG1-CD2 4.19Å; F270-L273 WeakPolarHBondContact O-CG 3.2Å; F270-L273 PolarHBondContact O-N 2.85Å; C271-L273 VanDerWaalsContact C-N 3.32Å; L273-E280 CarbonylContact O-C 3.53Å; L273-E280 WeakPolarHBondContact O-CA 3.28Å; L273-M281 HydrophobicContact CB-CB 4Å; L273-M281 HydrophobicContact CB-SD 4.44Å; L273-M281 HydrophobicContact CD1-SD 4.49Å; L273-M281 WeakPolarHBondContact O-CB 3.41Å; L273-M281 PolarHBondContact O-N 3.34Å
274	H	98.1	Very high	96.2	Very high	63 Å²	63	43.8 Å²	43.8	29%	0.292	23%	0.232	S	C	.	.	B	Isolated β-bridge	trans	-116.9	148.8	178.9	-64.3	173.3	0	0	0	112.6	N105 I209 P211 R279 M281	N105-H274 PolarHBondContact ND2-O 3.22Å; I209-H274 PolarHBondContact O-N 2.8Å; P211-H274 WeakPolarHBondContact CD-O 3.35Å; P211-H274 WeakPolarHBondContact CG-O 3.44Å; H274-R279 CarbonylContact C-O 3.51Å; H274-R279 WeakPolarHBondContact CA-O 3.43Å; H274-M281 WeakPolarHBondContact O-CE 3.34Å
275	F	97.2	Very high	96.3	Very high	3 Å²	3	39.1 Å²	39.1	1%	0.013	22%	0.215	C	C	.	.			trans	-73.6	168.3	163.1	-68.1	-63	0	0	0	111.8	Y43 Q46 G107 D277 G278 R279 E280 M281 I284	Y43-F275 HydrophobicContact CD2-CE1 4.15Å; Y43-F275 HydrophobicContact CD2-CZ 4.45Å; Q46-F275 VanDerWaalsContact CD-CD1 3.48Å; Q46-F275 HydrophobicContact CG-CD1 4.19Å; Q46-F275 HydrophobicContact CG-CD2 3.64Å; Q46-F275 HydrophobicContact CG-CE1 4.14Å; Q46-F275 HydrophobicContact CG-CE2 3.55Å; Q46-F275 HydrophobicContact CG-CG 3.96Å; Q46-F275 HydrophobicContact CG-CZ 3.81Å; G107-F275 WeakPolarHBondContact O-CD1 3.47Å; F275-D277 PolarHBondContact O-N 3.14Å; F275-G278 PolarHBondContact O-N 2.88Å; F275-R279 HydrophobicContact CD2-CB 4.36Å; F275-R279 PolarHBondContact N-O 3.47Å; F275-E280 VanDerWaalsContact CD2-O 3.26Å; F275-E280 WeakPolarHBondContact CD2-O 3.32Å; F275-E280 WeakPolarHBondContact CE2-O 3.26Å; F275-M281 HydrophobicContact CD1-CB 4.42Å; F275-M281 HydrophobicContact CD1-CE 4.05Å; F275-M281 HydrophobicContact CD1-CG 4.09Å; F275-M281 HydrophobicContact CE1-CB 4.33Å; F275-M281 HydrophobicContact CE1-CE 4.39Å; F275-M281 HydrophobicContact CE1-CG 3.7Å; F275-M281 HydrophobicContact CE2-CB 4.44Å; F275-M281 HydrophobicContact CZ-CB 4.35Å; F275-M281 HydrophobicContact CZ-CG 3.96Å; F275-I284 HydrophobicContact CE1-CG2 3.55Å; F275-I284 HydrophobicContact CZ-CG2 3.4Å; F275-I284 VanDerWaalsContact CZ-CG2 3.4Å
276	P	95.1	Very high	96.5	Very high	87 Å²	87	36.1 Å²	36.1	57%	0.565	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-31.3	173.3	-28.9	37.3	0	0	0	114.7	G107 P211 G278	G107-P276 WeakPolarHBondContact O-CD 3.22Å; P211-P276 HydrophobicContact CB-CG 4.17Å; P211-P276 HydrophobicContact CG-CB 4.39Å; P211-P276 HydrophobicContact CG-CG 3.93Å; P211-P276 VanDerWaalsContact CG-N 3.35Å; P276-G278 PolarHBondContact O-N 2.89Å
277	D	92.4	Very high	96.5	Very high	73 Å²	73	38.4 Å²	38.4	39%	0.39	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	1	176.2	60.7	48.2	0	0	0	114.3	Q46 F275 R279	Q46-D277 PolarHBondContact NE2-OD2 2.78Å; Q46-D277 VanDerWaalsContact NE2-OD2 3.09Å; F275-D277 PolarHBondContact O-N 3.14Å; D277-R279 VanDerWaalsContact CG-NE 3.28Å; D277-R279 VanDerWaalsContact CG-NH2 3.34Å; D277-R279 PolarHBondContact O-N 3.24Å; D277-R279 VanDerWaalsContact OD1-CB 3.23Å; D277-R279 WeakPolarHBondContact OD1-CB 3.45Å; D277-R279 WeakPolarHBondContact OD1-CG 3.39Å; D277-R279 IonicContact OD1-CZ 2.82Å; D277-R279 PolarHBondContact OD1-N 3.22Å; D277-R279 IonicContact OD1-NE 3.81Å; D277-R279 PolarHBondContact OD1-NE 2.94Å; D277-R279 IonicContact OD1-NH2 3.33Å; D277-R279 IonicContact OD2-CZ 3.84Å; D277-R279 IonicContact OD2-NE 3.33Å; D277-R279 PolarHBondContact OD2-NE 3.27Å; D277-R279 IonicContact OD2-NH2 3.96Å; D277-R279 PolarHBondContact OD2-NH2 3.28Å
278	G	93.8	Very high	96.6	Very high	45 Å²	45	41.4 Å²	41.4	46%	0.464	23%	0.226	S	C	.	.	S	Bend	trans	84.8	-3.9	176.4	0	0	0	0	0	115.6	F275 P276	F275-G278 PolarHBondContact O-N 2.88Å; P276-G278 PolarHBondContact O-N 2.89Å
279	R	94.7	Very high	96.8	Very high	85 Å²	85	42.3 Å²	42.3	32%	0.321	23%	0.227	S	C	.	.	S	Bend	trans	-75.4	157.8	173.6	-66	176.5	-73.1	-170.8	-11.3	111.7	Q46 H274 F275 D277 M281	Q46-R279 VanDerWaalsContact C-NH1 3.31Å; Q46-R279 VanDerWaalsContact CA-CZ 3.49Å; Q46-R279 VanDerWaalsContact CA-NH2 3.26Å; Q46-R279 PolarHBondContact O-NH1 3.28Å; Q46-R279 PolarHBondContact O-NH2 3.22Å; H274-R279 CarbonylContact C-O 3.51Å; H274-R279 WeakPolarHBondContact CA-O 3.43Å; F275-R279 HydrophobicContact CD2-CB 4.36Å; F275-R279 PolarHBondContact N-O 3.47Å; D277-R279 VanDerWaalsContact CG-NE 3.28Å; D277-R279 VanDerWaalsContact CG-NH2 3.34Å; D277-R279 PolarHBondContact O-N 3.24Å; D277-R279 VanDerWaalsContact OD1-CB 3.23Å; D277-R279 WeakPolarHBondContact OD1-CB 3.45Å; D277-R279 WeakPolarHBondContact OD1-CG 3.39Å; D277-R279 IonicContact OD1-CZ 2.82Å; D277-R279 PolarHBondContact OD1-N 3.22Å; D277-R279 IonicContact OD1-NE 3.81Å; D277-R279 PolarHBondContact OD1-NE 2.94Å; D277-R279 IonicContact OD1-NH2 3.33Å; D277-R279 IonicContact OD2-CZ 3.84Å; D277-R279 IonicContact OD2-NE 3.33Å; D277-R279 PolarHBondContact OD2-NE 3.27Å; D277-R279 IonicContact OD2-NH2 3.96Å; D277-R279 PolarHBondContact OD2-NH2 3.28Å; R279-M281 PolarHBondContact O-N 3.35Å
280	E	96.6	Very high	96.9	Very high	85 Å²	85	45.1 Å²	45.1	40%	0.397	24%	0.244	S	C	.	.	B	Isolated β-bridge	trans	-55.2	134.2	170.8	-65.2	-179.4	154.1	0	0	111.1	L273 F275 I282	L273-E280 CarbonylContact O-C 3.53Å; L273-E280 WeakPolarHBondContact O-CA 3.28Å; F275-E280 VanDerWaalsContact CD2-O 3.26Å; F275-E280 WeakPolarHBondContact CD2-O 3.32Å; F275-E280 WeakPolarHBondContact CE2-O 3.26Å; E280-I282 HydrophobicContact CB-CG2 4.14Å; E280-I282 PolarHBondContact O-N 3.11Å; E280-I282 VanDerWaalsContact O-N 3.08Å
281	M	97	Very high	96.9	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.258	C	S	.	.			trans	-78.3	90.3	176.3	-172.9	177.2	-69.6	0	0	108.6	N105 W138 L273 H274 F275 R279 I284	N105-M281 WeakPolarHBondContact OD1-CE 3.43Å; W138-M281 HydrophobicContact CH2-CG 4.25Å; W138-M281 HydrophobicContact CH2-SD 3.52Å; W138-M281 VanDerWaalsContact CH2-SD 3.52Å; W138-M281 HydrophobicContact CZ2-CB 4.17Å; W138-M281 HydrophobicContact CZ2-CG 3.55Å; W138-M281 HydrophobicContact CZ2-SD 3.4Å; W138-M281 WeakPolarHBondContact CZ2-SD 3.47Å; W138-M281 PolarHBondContact NE1-O 2.91Å; L273-M281 HydrophobicContact CB-CB 4Å; L273-M281 HydrophobicContact CB-SD 4.44Å; L273-M281 HydrophobicContact CD1-SD 4.49Å; L273-M281 WeakPolarHBondContact O-CB 3.41Å; L273-M281 PolarHBondContact O-N 3.34Å; H274-M281 WeakPolarHBondContact O-CE 3.34Å; F275-M281 HydrophobicContact CD1-CB 4.42Å; F275-M281 HydrophobicContact CD1-CE 4.05Å; F275-M281 HydrophobicContact CD1-CG 4.09Å; F275-M281 HydrophobicContact CE1-CB 4.33Å; F275-M281 HydrophobicContact CE1-CE 4.39Å; F275-M281 HydrophobicContact CE1-CG 3.7Å; F275-M281 HydrophobicContact CE2-CB 4.44Å; F275-M281 HydrophobicContact CZ-CB 4.35Å; F275-M281 HydrophobicContact CZ-CG 3.96Å; R279-M281 PolarHBondContact O-N 3.35Å; M281-I284 HydrophobicContact CG-CG2 3.59Å
282	I	97.2	Very high	97	Very high	22 Å²	22	52.4 Å²	52.4	11%	0.113	28%	0.283	C	S	.	.			trans	-132.8	153.9	-177.9	57.5	166.7	0	0	0	110.9	S45 K140 C271 E280 I284	S45-I282 VanDerWaalsContact CB-O 3.3Å; S45-I282 WeakPolarHBondContact CB-O 3.42Å; S45-I282 PolarHBondContact OG-O 3.21Å; K140-I282 HydrophobicContact CB-CB 4.31Å; K140-I282 HydrophobicContact CB-CD1 4.47Å; K140-I282 HydrophobicContact CB-CG2 4.47Å; K140-I282 HydrophobicContact CD-CD1 3.82Å; K140-I282 HydrophobicContact CG-CB 4.48Å; K140-I282 HydrophobicContact CG-CD1 4.09Å; K140-I282 HydrophobicContact CG-CG2 4.28Å; C271-I282 HydrophobicContact CB-CG2 3.88Å; E280-I282 HydrophobicContact CB-CG2 4.14Å; E280-I282 PolarHBondContact O-N 3.11Å; E280-I282 VanDerWaalsContact O-N 3.08Å; I282-I284 VanDerWaalsContact C-N 3.3Å; I282-I284 PolarHBondContact O-N 2.79Å
283	Q	97.1	Very high	96.9	Very high	74 Å²	74	53 Å²	53	35%	0.346	30%	0.298	S	S	.	.			trans	53	47.5	178	-57.4	175.9	-26.8	0	0	112.3	W138 G139 K140 Y285	W138-Q283 WeakPolarHBondContact O-CA 3.4Å; W138-Q283 PolarHBondContact O-N 3.05Å; G139-Q283 PolarHBondContact O-N 2.85Å; G139-Q283 VanDerWaalsContact O-N 3.13Å; K140-Q283 HydrophobicContact CB-CG 4.4Å; Q283-Y285 HydrophobicContact CB-CE1 3.86Å; Q283-Y285 HydrophobicContact CG-CE1 4.28Å; Q283-Y285 PolarHBondContact O-N 3.34Å
284	I	97.6	Very high	96.9	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	30%	0.302	C	S	.	.			trans	-85.9	56.8	-176.3	54.9	154.8	0	0	0	111.9	Y43 L136 H137 W138 F275 M281 I282	Y43-I284 HydrophobicContact CD2-CB 3.89Å; Y43-I284 HydrophobicContact CD2-CG2 3.79Å; Y43-I284 VanDerWaalsContact CE1-C 3.43Å; Y43-I284 HydrophobicContact CE1-CB 4.49Å; Y43-I284 HydrophobicContact CE2-CB 3.66Å; Y43-I284 HydrophobicContact CE2-CG2 3.88Å; Y43-I284 HydrophobicContact CG-CB 4.38Å; Y43-I284 HydrophobicContact CG-CG2 4.49Å; L136-I284 WeakPolarHBondContact O-CD1 3.46Å; H137-I284 PolarHBondContact ND1-O 2.82Å; W138-I284 HydrophobicContact CD2-CD1 3.66Å; W138-I284 HydrophobicContact CD2-CG1 3.88Å; W138-I284 HydrophobicContact CE3-CD1 3.43Å; W138-I284 VanDerWaalsContact CE3-CD1 3.43Å; W138-I284 HydrophobicContact CE3-CG1 4.11Å; W138-I284 HydrophobicContact CG-CG1 4.26Å; W138-I284 HydrophobicContact CH2-CD1 3.48Å; W138-I284 VanDerWaalsContact CH2-CD1 3.48Å; W138-I284 HydrophobicContact CZ2-CD1 3.74Å; W138-I284 HydrophobicContact CZ2-CG1 4.38Å; W138-I284 HydrophobicContact CZ3-CD1 3.31Å; W138-I284 HydrophobicContact CZ3-CG1 4.41Å; W138-I284 PolarHBondContact O-N 3.33Å; W138-I284 VanDerWaalsContact O-N 3.1Å; F275-I284 HydrophobicContact CE1-CG2 3.55Å; F275-I284 HydrophobicContact CZ-CG2 3.4Å; F275-I284 VanDerWaalsContact CZ-CG2 3.4Å; M281-I284 HydrophobicContact CG-CG2 3.59Å; I282-I284 VanDerWaalsContact C-N 3.3Å; I282-I284 PolarHBondContact O-N 2.79Å
285	Y	97.6	Very high	96.9	Very high	49 Å²	49	56.5 Å²	56.5	19%	0.192	32%	0.317	C	S	.	.			trans	-133.5	146	179.4	53.3	-99.5	0	0	0	111.1	S144 G145 Q283	S144-Y285 WeakPolarHBondContact O-CE1 3.44Å; G145-Y285 WeakPolarHBondContact O-CD1 3.33Å; Q283-Y285 HydrophobicContact CB-CE1 3.86Å; Q283-Y285 HydrophobicContact CG-CE1 4.28Å; Q283-Y285 PolarHBondContact O-N 3.34Å
286	R	98.4	Very high	96.9	Very high	4 Å²	4	56.7 Å²	56.7	2%	0.015	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-75.3	142.8	169	-167.6	-170.9	-170.9	-179.8	3.2	109.8	W59 C66 S72 E147 T243	W59-R286 HydrophobicContact CE3-CG 4.4Å; W59-R286 HydrophobicContact CH2-CB 4.22Å; W59-R286 HydrophobicContact CH2-CG 4.12Å; W59-R286 HydrophobicContact CZ3-CB 4.12Å; W59-R286 HydrophobicContact CZ3-CG 3.63Å; C66-R286 PolarHBondContact O-NH2 3.38Å; S72-R286 VanDerWaalsContact O-CD 3.3Å; S72-R286 WeakPolarHBondContact O-CD 3.49Å; S72-R286 PolarHBondContact O-NH1 3.23Å; E147-R286 WeakPolarHBondContact OE1-CB 3.48Å; E147-R286 PolarHBondContact OE1-N 3.49Å; T243-R286 WeakPolarHBondContact O-CD 3.42Å
287	P	98	Very high	97.1	Very high	52 Å²	52	54.5 Å²	54.5	34%	0.338	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-57.5	150.7	169.2	-25.4	35.1	0	0	0	112.7	P56 Q289	P56-P287 HydrophobicContact CB-CG 4.22Å; P287-Q289 PolarHBondContact O-NE2 2.96Å
288	V	98.5	Very high	97.4	Very high	67 Å²	67	52.9 Å²	52.9	41%	0.406	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-61.4	138.2	175	-67	0	0	0	0	111.3	T149	T149-V288 HydrophobicContact CG2-CG1 4.02Å
289	Q	98.8	Very high	97.4	Very high	45 Å²	45	50.7 Å²	50.7	21%	0.21	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-101.9	150.5	-176.8	-55.5	-63.8	-56.8	0	0	110.2	Q71 P73 P287 L291	Q71-Q289 HydrophobicContact CB-CB 3.87Å; Q71-Q289 HydrophobicContact CB-CG 3.71Å; P73-Q289 VanDerWaalsContact O-CB 3.29Å; P73-Q289 WeakPolarHBondContact O-CB 3.46Å; P73-Q289 WeakPolarHBondContact O-CG 3.04Å; P73-Q289 PolarHBondContact O-N 3.33Å; P287-Q289 PolarHBondContact O-NE2 2.96Å; Q289-L291 PolarHBondContact O-N 3.08Å
290	P	98.3	Very high	96.3	Very high	83 Å²	83	52.7 Å²	52.7	54%	0.539	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-57.7	133.8	174.8	-25.5	35.1	0	0	0	112.2	N292 R294	P290-N292 WeakPolarHBondContact CB-OD1 3.33Å; P290-N292 PolarHBondContact O-N 2.53Å; P290-R294 PolarHBondContact O-NH2 2.76Å
291	L	98	Very high	94.4	Very high	56 Å²	56	49.7 Å²	49.7	29%	0.293	27%	0.271	S	S	.	.			trans	-66.6	-29.3	176.4	-170.4	65.4	0	0	0	111.8	V74 Q289 R294 V296	V74-L291 HydrophobicContact CB-CD1 4.34Å; V74-L291 HydrophobicContact CG1-CD1 4.18Å; V74-L291 HydrophobicContact CG2-CD1 4.24Å; Q289-L291 PolarHBondContact O-N 3.08Å; L291-R294 HydrophobicContact CD1-CB 4.01Å; L291-R294 WeakPolarHBondContact CD2-O 3.48Å; L291-R294 HydrophobicContact CG-CB 4.22Å; L291-R294 WeakPolarHBondContact CG-O 3.42Å; L291-R294 WeakPolarHBondContact O-CB 3.42Å; L291-R294 PolarHBondContact O-N 3.2Å; L291-R294 PolarHBondContact O-NE 3.19Å; L291-V296 HydrophobicContact CD1-CG2 3.95Å; L291-V296 HydrophobicContact CD2-CG2 4.14Å
292	N	97.6	Very high	92.1	Very high	99 Å²	99	55 Å²	55	53%	0.529	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.1	-134.3	-175.5	-62.5	-38.8	0	0	0	111.3	S69 P290 R294	S69-N292 PolarHBondContact O-ND2 3.39Å; P290-N292 WeakPolarHBondContact CB-OD1 3.33Å; P290-N292 PolarHBondContact O-N 2.53Å; N292-R294 VanDerWaalsContact C-N 3.26Å; N292-R294 PolarHBondContact O-N 3.33Å
293	S	95.5	Very high	89.6	Confident	119 Å²	119	57.1 Å²	57.1	83%	0.832	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	0.9	-178.3	55.3	0	0	0	0	114.3
294	R	97.9	Very high	87.1	Confident	25 Å²	25	58.2 Å²	58.2	9%	0.094	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-73.7	149.9	-178.9	-62.5	175.1	-74.8	174.7	-3.6	111.2	R70 Q71 N239 P290 L291 N292	R70-R294 VanDerWaalsContact CA-CZ 3.49Å; R70-R294 HydrophobicContact CG-CG 4.24Å; R70-R294 PolarHBondContact O-NH1 2.52Å; Q71-R294 VanDerWaalsContact O-CZ 3.3Å; Q71-R294 PolarHBondContact O-NH1 3.2Å; Q71-R294 PolarHBondContact O-NH2 3.18Å; N239-R294 WeakPolarHBondContact O-CD 3.45Å; N239-R294 PolarHBondContact O-NH1 3.46Å; P290-R294 PolarHBondContact O-NH2 2.76Å; L291-R294 HydrophobicContact CD1-CB 4.01Å; L291-R294 WeakPolarHBondContact CD2-O 3.48Å; L291-R294 HydrophobicContact CG-CB 4.22Å; L291-R294 WeakPolarHBondContact CG-O 3.42Å; L291-R294 WeakPolarHBondContact O-CB 3.42Å; L291-R294 PolarHBondContact O-N 3.2Å; L291-R294 PolarHBondContact O-NE 3.19Å; N292-R294 VanDerWaalsContact C-N 3.26Å; N292-R294 PolarHBondContact O-N 3.33Å
295	L	97	Very high	84.8	Confident	113 Å²	113	65.9 Å²	65.9	59%	0.592	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-103	146	169.3	-61	176.7	0	0	0	109.9	V82	V82-L295 HydrophobicContact CG2-CD1 4.49Å
296	V	98.6	Very high	82.6	Confident	8 Å²	8	67.5 Å²	67.5	5%	0.048	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-98.5	120.6	164.8	179.5	0	0	0	0	107.8	I76 T81 V82 F236 L291	I76-V296 HydrophobicContact CD1-CB 4.49Å; I76-V296 HydrophobicContact CD1-CG1 3.87Å; I76-V296 HydrophobicContact CD1-CG2 3.81Å; I76-V296 HydrophobicContact CG2-CG1 4.14Å; T81-V296 WeakPolarHBondContact CA-O 3.13Å; T81-V296 HydrophobicContact CG2-CB 4.18Å; T81-V296 HydrophobicContact CG2-CG1 3.87Å; V82-V296 PolarHBondContact N-O 2.81Å; F236-V296 HydrophobicContact CB-CG1 3.88Å; F236-V296 HydrophobicContact CD1-CG1 4.2Å; F236-V296 HydrophobicContact CG-CG1 4.41Å; L291-V296 HydrophobicContact CD1-CG2 3.95Å; L291-V296 HydrophobicContact CD2-CG2 4.14Å
297	L	98.5	Very high	80.6	Confident	40 Å²	40	69.7 Å²	69.7	21%	0.209	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	153.5	174.7	-51.6	179.6	0	0	0	110	V82 D84 L87 F236 R237	V82-L297 HydrophobicContact CB-CD2 4.13Å; V82-L297 CarbonylContact O-C 3.58Å; V82-L297 VanDerWaalsContact O-CA 3.23Å; V82-L297 WeakPolarHBondContact O-CA 3.21Å; D84-L297 HydrophobicContact CB-CB 4.36Å; D84-L297 HydrophobicContact CB-CD1 4.4Å; L87-L297 HydrophobicContact CD1-CB 3.64Å; F236-L297 CarbonylContact C-O 3.47Å; F236-L297 VanDerWaalsContact CA-O 3.31Å; F236-L297 WeakPolarHBondContact CA-O 3.42Å; R237-L297 HydrophobicContact CB-CB 4.16Å; R237-L297 HydrophobicContact CG-CD1 4.45Å; R237-L297 PolarHBondContact N-O 3.21Å; R237-L297 PolarHBondContact O-N 3.05Å
298	Y	97.8	Very high	78.7	Confident	39 Å²	39	77.3 Å²	77.3	15%	0.153	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	129.6	179.3	-179.6	-115.9	0	0	0	111.4	V82 K83 D84 Y235 F236 E257 K300	V82-Y298 PolarHBondContact O-N 3.19Å; K83-Y298 HydrophobicContact CG-CD1 4.26Å; D84-Y298 PolarHBondContact N-O 2.72Å; D84-Y298 VanDerWaalsContact N-O 3.12Å; Y235-Y298 WeakPolarHBondContact O-CD2 3.36Å; F236-Y298 AromaticContact CD1-CD2 3.54Å; F236-Y298 HydrophobicContact CD1-CD2 3.54Å; F236-Y298 HydrophobicContact CD1-CE2 4.29Å; F236-Y298 HydrophobicContact CD1-CG 4.38Å; F236-Y298 AromaticContact CE1-CD2 3.4Å; F236-Y298 HydrophobicContact CE1-CD2 3.4Å; F236-Y298 AromaticContact CE1-CE2 3.81Å; F236-Y298 HydrophobicContact CE1-CE2 3.81Å; F236-Y298 HydrophobicContact CE1-CG 4.27Å; F236-Y298 HydrophobicContact CG-CD2 4.39Å; F236-Y298 HydrophobicContact CZ-CD2 4.17Å; F236-Y298 HydrophobicContact CZ-CE2 4.14Å; E257-Y298 WeakPolarHBondContact OE1-CE2 3.43Å; E257-Y298 PolarHBondContact OE1-OH 3.13Å; Y298-K300 PolarHBondContact O-N 2.95Å
299	S	94.4	Very high	76.9	Confident	0 Å²	0	78.9 Å²	78.9	0%	0	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	122.3	176	74.9	0	0	0	0	109.7	L87 N233 K234 Y235 G301	L87-S299 WeakPolarHBondContact O-CB 3.36Å; N233-S299 PolarHBondContact O-OG 2.96Å; K234-S299 VanDerWaalsContact CA-OG 3.31Å; K234-S299 WeakPolarHBondContact CA-OG 3.47Å; Y235-S299 VanDerWaalsContact CD1-OG 3.24Å; Y235-S299 WeakPolarHBondContact CD1-OG 3.33Å; Y235-S299 WeakPolarHBondContact CE1-OG 3.12Å; Y235-S299 PolarHBondContact N-OG 2.92Å; Y235-S299 PolarHBondContact O-N 3.1Å; Y235-S299 PolarHBondContact O-OG 2.75Å; S299-G301 PolarHBondContact O-N 2.82Å; S299-G301 VanDerWaalsContact O-N 3.14Å
300	K	72.4	Confident	75.2	Confident	126 Å²	126	82.4 Å²	82.4	55%	0.548	46%	0.458	S	S	.	.			trans	-70.9	112.4	171.8	-170.6	179.9	178.9	-176.1	0	106.6	Y298 N302	Y298-K300 PolarHBondContact O-N 2.95Å; K300-N302 PolarHBondContact O-N 3.5Å
301	G	56.8	Low	73.5	Confident	23 Å²	23	82.8 Å²	82.8	24%	0.237	46%	0.455	C	S	.	.			trans	-49.5	131	166.8	0	0	0	0	0	108.5	S299 A303	S299-G301 PolarHBondContact O-N 2.82Å; S299-G301 VanDerWaalsContact O-N 3.14Å; G301-A303 PolarHBondContact O-N 3.42Å
302	N	48.5	Very low	72.1	Confident	112 Å²	112	83.7 Å²	83.7	60%	0.599	46%	0.463	S	S	*	.			trans	-48.1	108.4	-177	-85.3	-12.5	0	0	0	109.2	K300 S304	K300-N302 PolarHBondContact O-N 3.5Å; N302-S304 PolarHBondContact O-N 3.16Å
303	A	44.6	Very low	70.8	Confident	66 Å²	66	83.5 Å²	83.5	55%	0.545	46%	0.46	S	S	.	.			trans	-64.7	99.6	146.4	0	0	0	0	0	102.6	G301 L305	G301-A303 PolarHBondContact O-N 3.42Å; A303-L305 VanDerWaalsContact C-N 3.31Å; A303-L305 PolarHBondContact O-N 3.32Å
304	S	44.9	Very low	69.5	Low	97 Å²	97	81.1 Å²	81.1	68%	0.678	44%	0.443	S	S	*	.			trans	-46.9	109.2	165.7	-67.1	0	0	0	0	105.3	N302 V306	N302-S304 PolarHBondContact O-N 3.16Å; S304-V306 PolarHBondContact O-N 3.14Å
305	L	49.2	Very low	68.2	Low	160 Å²	160	83.7 Å²	83.7	84%	0.838	46%	0.461	S	S	*	.			trans	-66.4	85.6	162.6	-69.6	170.9	0	0	0	102.7	A303 S307	A303-L305 VanDerWaalsContact C-N 3.31Å; A303-L305 PolarHBondContact O-N 3.32Å; L305-S307 PolarHBondContact O-N 3Å
306	V	51.4	Low	66.9	Low	84 Å²	84	82.6 Å²	82.6	51%	0.509	46%	0.456	S	S	.	.			trans	-54.4	107.3	160.7	-175.8	0	0	0	0	102.2	S304 W308 L311	S304-V306 PolarHBondContact O-N 3.14Å; V306-W308 PolarHBondContact O-N 3.4Å; V306-L311 HydrophobicContact CG1-CD1 4.05Å
307	S	55.2	Low	65.4	Low	50 Å²	50	87 Å²	87	35%	0.35	48%	0.479	S	S	.	.			trans	-49.5	122.8	-175.1	177.2	0	0	0	0	106.3	L305 V309 L310 L311	L305-S307 PolarHBondContact O-N 3Å; S307-V309 CarbonylContact O-C 3.44Å; S307-V309 PolarHBondContact O-N 3.19Å; S307-V309 WeakPolarHBondContact OG-CB 3.42Å; S307-V309 PolarHBondContact OG-N 2.87Å; S307-L310 WeakPolarHBondContact O-CA 3.41Å; S307-L310 WeakPolarHBondContact O-CB 3.39Å; S307-L310 PolarHBondContact O-N 3.24Å; S307-L311 PolarHBondContact O-N 2.98Å; S307-L311 VanDerWaalsContact O-N 3.15Å
308	W	58.9	Low	63.9	Low	212 Å²	212	88.1 Å²	88.1	80%	0.803	49%	0.49	S	S	*	.	H	α-helix	trans	-52.6	-28.3	176	-76.8	83.6	0	0	0	110.1	V306 L311 V312	V306-W308 PolarHBondContact O-N 3.4Å; W308-L311 PolarHBondContact O-N 3.08Å; W308-V312 VanDerWaalsContact O-CB 3.22Å; W308-V312 WeakPolarHBondContact O-CB 3.5Å; W308-V312 WeakPolarHBondContact O-CG2 3.23Å; W308-V312 PolarHBondContact O-N 2.9Å
309	V	61.4	Low	62.4	Low	99 Å²	99	89.2 Å²	89.2	60%	0.6	50%	0.501	S	S	*	.	H	α-helix	trans	-60.2	-46.4	170.9	-173.1	0	0	0	0	112.1	S307 M313	S307-V309 CarbonylContact O-C 3.44Å; S307-V309 PolarHBondContact O-N 3.19Å; S307-V309 WeakPolarHBondContact OG-CB 3.42Å; S307-V309 PolarHBondContact OG-N 2.87Å; V309-M313 HydrophobicContact CG1-CG 4.2Å; V309-M313 WeakPolarHBondContact O-CB 3.3Å; V309-M313 WeakPolarHBondContact O-CG 3.41Å; V309-M313 PolarHBondContact O-N 2.82Å
310	L	61.6	Low	61	Low	119 Å²	119	93.8 Å²	93.8	62%	0.623	53%	0.528	S	S	*	.	H	α-helix	trans	-67.1	-38.3	179.1	-71.3	170.2	0	0	0	112.1	S307 M313 S314	S307-L310 WeakPolarHBondContact O-CA 3.41Å; S307-L310 WeakPolarHBondContact O-CB 3.39Å; S307-L310 PolarHBondContact O-N 3.24Å; L310-M313 PolarHBondContact O-N 3.38Å; L310-S314 PolarHBondContact O-N 3.47Å; L310-S314 PolarHBondContact O-OG 2.94Å
311	L	63.6	Low	60.4	Low	91 Å²	91	96.6 Å²	96.6	48%	0.476	54%	0.536	S	S	.	.	H	α-helix	trans	-71.4	-40.2	179.1	-143.5	151.2	0	0	0	111.2	V306 S307 W308 S314 V315	V306-L311 HydrophobicContact CG1-CD1 4.05Å; S307-L311 PolarHBondContact O-N 2.98Å; S307-L311 VanDerWaalsContact O-N 3.15Å; W308-L311 PolarHBondContact O-N 3.08Å; L311-S314 PolarHBondContact O-OG 3.37Å; L311-V315 VanDerWaalsContact O-CG2 3.28Å; L311-V315 WeakPolarHBondContact O-CG2 3.33Å; L311-V315 PolarHBondContact O-N 3.44Å; L311-V315 VanDerWaalsContact O-N 3.15Å
312	V	69.4	Low	60.5	Low	75 Å²	75	98.9 Å²	98.9	46%	0.455	55%	0.545	S	S	.	.	H	α-helix	trans	-68.3	-40.4	173.2	172.3	0	0	0	0	111	W308 V315 L316	W308-V312 VanDerWaalsContact O-CB 3.22Å; W308-V312 WeakPolarHBondContact O-CB 3.5Å; W308-V312 WeakPolarHBondContact O-CG2 3.23Å; W308-V312 PolarHBondContact O-N 2.9Å; V312-V315 PolarHBondContact O-N 3.02Å; V312-L316 HydrophobicContact CG1-CD1 3.74Å; V312-L316 HydrophobicContact CG1-CG 4.24Å; V312-L316 WeakPolarHBondContact O-CB 3.37Å; V312-L316 VanDerWaalsContact O-CG 3.29Å; V312-L316 WeakPolarHBondContact O-CG 3.18Å; V312-L316 PolarHBondContact O-N 3.26Å
313	M	68.9	Low	61	Low	96 Å²	96	101.1 Å²	101.1	47%	0.473	55%	0.549	S	S	.	.	H	α-helix	trans	-64.6	-39.5	176.4	-75.1	-65.5	-70.2	0	0	112.1	V309 L310 V315 L316 L317	V309-M313 HydrophobicContact CG1-CG 4.2Å; V309-M313 WeakPolarHBondContact O-CB 3.3Å; V309-M313 WeakPolarHBondContact O-CG 3.41Å; V309-M313 PolarHBondContact O-N 2.82Å; L310-M313 PolarHBondContact O-N 3.38Å; M313-V315 VanDerWaalsContact C-N 3.34Å; M313-L316 PolarHBondContact O-N 2.99Å; M313-L317 WeakPolarHBondContact O-CB 3.42Å; M313-L317 WeakPolarHBondContact O-CD1 3.38Å; M313-L317 VanDerWaalsContact O-CG 3.3Å; M313-L317 WeakPolarHBondContact O-CG 3.47Å; M313-L317 PolarHBondContact O-N 3.46Å
314	S	68.4	Low	61.7	Low	68 Å²	68	100.9 Å²	100.9	48%	0.476	55%	0.548	S	S	.	.	H	α-helix	trans	-65.5	-37.8	174.8	58.1	0	0	0	0	112.4	L310 L311 S318	L310-S314 PolarHBondContact O-N 3.47Å; L310-S314 PolarHBondContact O-OG 2.94Å; L311-S314 PolarHBondContact O-OG 3.37Å; S314-S318 WeakPolarHBondContact O-CB 3.39Å; S314-S318 PolarHBondContact O-N 2.95Å; S314-S318 PolarHBondContact O-OG 3.13Å
315	V	71.4	Confident	62.3	Low	79 Å²	79	101.1 Å²	101.1	48%	0.479	54%	0.541	S	S	.	.	H	α-helix	trans	-67.7	-45.3	176.1	172.8	0	0	0	0	110.2	L311 V312 M313 L317 S318 T319	L311-V315 VanDerWaalsContact O-CG2 3.28Å; L311-V315 WeakPolarHBondContact O-CG2 3.33Å; L311-V315 PolarHBondContact O-N 3.44Å; L311-V315 VanDerWaalsContact O-N 3.15Å; V312-V315 PolarHBondContact O-N 3.02Å; M313-V315 VanDerWaalsContact C-N 3.34Å; V315-L317 PolarHBondContact O-N 3.46Å; V315-S318 PolarHBondContact O-N 3.27Å; V315-S318 PolarHBondContact O-OG 3.02Å; V315-T319 WeakPolarHBondContact O-CG2 3.23Å; V315-T319 PolarHBondContact O-N 3.5Å; V315-T319 VanDerWaalsContact O-N 3.08Å
316	L	69.7	Low	62.7	Low	91 Å²	91	100.9 Å²	100.9	48%	0.476	53%	0.533	S	S	.	.	H	α-helix	trans	-61.8	-45.8	177.4	-72.1	169	0	0	0	112	V312 M313 S318 T319 V320	V312-L316 HydrophobicContact CG1-CD1 3.74Å; V312-L316 HydrophobicContact CG1-CG 4.24Å; V312-L316 WeakPolarHBondContact O-CB 3.37Å; V312-L316 VanDerWaalsContact O-CG 3.29Å; V312-L316 WeakPolarHBondContact O-CG 3.18Å; V312-L316 PolarHBondContact O-N 3.26Å; M313-L316 PolarHBondContact O-N 2.99Å; L316-S318 VanDerWaalsContact C-N 3.32Å; L316-S318 PolarHBondContact O-N 3.46Å; L316-T319 PolarHBondContact O-N 2.9Å; L316-T319 PolarHBondContact O-OG1 3.44Å; L316-V320 WeakPolarHBondContact O-CG2 3.4Å; L316-V320 PolarHBondContact O-N 2.93Å; L316-V320 VanDerWaalsContact O-N 3.12Å
317	L	66.8	Low	62.9	Low	101 Å²	101	103.8 Å²	103.8	53%	0.529	54%	0.541	S	S	.	.	H	α-helix	trans	-61.1	-39.7	176.7	-76.5	162	0	0	0	112.2	M313 V315 T319 V320 W321	M313-L317 WeakPolarHBondContact O-CB 3.42Å; M313-L317 WeakPolarHBondContact O-CD1 3.38Å; M313-L317 VanDerWaalsContact O-CG 3.3Å; M313-L317 WeakPolarHBondContact O-CG 3.47Å; M313-L317 PolarHBondContact O-N 3.46Å; V315-L317 PolarHBondContact O-N 3.46Å; L317-T319 PolarHBondContact O-N 3.27Å; L317-V320 PolarHBondContact O-N 3.07Å; L317-W321 PolarHBondContact O-N 3.12Å; L317-W321 VanDerWaalsContact O-N 3.11Å
318	S	67.8	Low	63	Low	63 Å²	63	104.3 Å²	104.3	44%	0.441	55%	0.548	S	S	.	.	H	α-helix	trans	-64.8	-38.9	176.8	73.1	0	0	0	0	112.6	S314 V315 L316 W321 T322	S314-S318 WeakPolarHBondContact O-CB 3.39Å; S314-S318 PolarHBondContact O-N 2.95Å; S314-S318 PolarHBondContact O-OG 3.13Å; V315-S318 PolarHBondContact O-N 3.27Å; V315-S318 PolarHBondContact O-OG 3.02Å; L316-S318 VanDerWaalsContact C-N 3.32Å; L316-S318 PolarHBondContact O-N 3.46Å; S318-W321 PolarHBondContact O-N 3.49Å; S318-T322 PolarHBondContact O-N 3.15Å; S318-T322 PolarHBondContact O-OG1 3.48Å; S318-T322 VanDerWaalsContact O-OG1 3.13Å
319	T	64.8	Low	62.8	Low	62 Å²	62	98.9 Å²	98.9	38%	0.38	54%	0.535	S	S	.	.	H	α-helix	trans	-69.6	-35.7	178.8	60.1	0	0	0	0	112.9	V315 L316 L317 T322 K323	V315-T319 WeakPolarHBondContact O-CG2 3.23Å; V315-T319 PolarHBondContact O-N 3.5Å; V315-T319 VanDerWaalsContact O-N 3.08Å; L316-T319 PolarHBondContact O-N 2.9Å; L316-T319 PolarHBondContact O-OG1 3.44Å; L317-T319 PolarHBondContact O-N 3.27Å; T319-T322 WeakPolarHBondContact CA-OG1 3.42Å; T319-T322 PolarHBondContact O-OG1 2.94Å; T319-K323 WeakPolarHBondContact O-CG 3.4Å; T319-K323 PolarHBondContact O-N 3.37Å
320	V	66.4	Low	62.5	Low	95 Å²	95	97 Å²	97	58%	0.576	53%	0.53	S	S	*	.	H	α-helix	trans	-66.9	-42.6	175.8	175.1	0	0	0	0	110.5	L316 L317 K323 A324	L316-V320 WeakPolarHBondContact O-CG2 3.4Å; L316-V320 PolarHBondContact O-N 2.93Å; L316-V320 VanDerWaalsContact O-N 3.12Å; L317-V320 PolarHBondContact O-N 3.07Å; V320-K323 PolarHBondContact O-N 3.24Å; V320-A324 WeakPolarHBondContact O-CB 3.37Å; V320-A324 PolarHBondContact O-N 3.09Å
321	W	57.8	Low	62.2	Low	186 Å²	186	96.3 Å²	96.3	71%	0.705	53%	0.53	S	S	*	.	H	α-helix	trans	-63	-44.8	175.5	-91	68.9	0	0	0	112.6	L317 S318 K323 A324 L325	L317-W321 PolarHBondContact O-N 3.12Å; L317-W321 VanDerWaalsContact O-N 3.11Å; S318-W321 PolarHBondContact O-N 3.49Å; W321-K323 VanDerWaalsContact C-N 3.33Å; W321-K323 PolarHBondContact O-N 3.15Å; W321-A324 PolarHBondContact O-N 3.15Å; W321-L325 PolarHBondContact O-N 3.46Å
322	T	60.2	Low	61.8	Low	71 Å²	71	99.8 Å²	99.8	44%	0.436	54%	0.544	S	S	.	.	H	α-helix	trans	-62	-40.2	176.1	45.7	0	0	0	0	112.3	S318 T319 L325 F326	S318-T322 PolarHBondContact O-N 3.15Å; S318-T322 PolarHBondContact O-OG1 3.48Å; S318-T322 VanDerWaalsContact O-OG1 3.13Å; T319-T322 WeakPolarHBondContact CA-OG1 3.42Å; T319-T322 PolarHBondContact O-OG1 2.94Å; T322-L325 PolarHBondContact O-N 3.08Å; T322-F326 WeakPolarHBondContact O-CD2 3.42Å; T322-F326 PolarHBondContact O-N 3.04Å; T322-F326 VanDerWaalsContact O-N 3.11Å
323	K	58.8	Low	61	Low	158 Å²	158	105 Å²	105	69%	0.687	56%	0.561	S	S	*	*	H	α-helix	trans	-67.3	-36.1	177.2	-78.3	-176.3	175.7	-176.2	0	112.7	T319 V320 W321 H327	T319-K323 WeakPolarHBondContact O-CG 3.4Å; T319-K323 PolarHBondContact O-N 3.37Å; V320-K323 PolarHBondContact O-N 3.24Å; W321-K323 VanDerWaalsContact C-N 3.33Å; W321-K323 PolarHBondContact O-N 3.15Å; K323-H327 PolarHBondContact O-N 3.49Å; K323-H327 VanDerWaalsContact O-N 3.08Å
324	A	59.2	Low	60.2	Low	62 Å²	62	105.9 Å²	105.9	51%	0.512	58%	0.575	S	S	.	*	H	α-helix	trans	-67	-40.1	176.3	0	0	0	0	0	112.2	V320 W321 H327 A328	V320-A324 WeakPolarHBondContact O-CB 3.37Å; V320-A324 PolarHBondContact O-N 3.09Å; W321-A324 PolarHBondContact O-N 3.15Å; A324-H327 PolarHBondContact O-N 3.42Å; A324-A328 PolarHBondContact O-N 3.35Å
325	L	57.5	Low	59	Low	102 Å²	102	115 Å²	115	53%	0.534	61%	0.61	S	S	.	*	H	α-helix	trans	-62.6	-46.4	174.4	-86	148.9	0	0	0	112.2	W321 T322 H327 A328 D329	W321-L325 PolarHBondContact O-N 3.46Å; T322-L325 PolarHBondContact O-N 3.08Å; L325-H327 VanDerWaalsContact C-N 3.28Å; L325-H327 PolarHBondContact O-N 3.29Å; L325-A328 PolarHBondContact O-N 2.63Å; L325-D329 PolarHBondContact O-N 3.35Å; L325-D329 VanDerWaalsContact O-N 3.09Å
326	F	56.9	Low	58.4	Low	154 Å²	154	116.8 Å²	116.8	68%	0.675	62%	0.616	S	S	*	*	H	α-helix	trans	-67.1	-26	176.5	-76.8	-66.6	0	0	0	113.8	T322 A330	T322-F326 WeakPolarHBondContact O-CD2 3.42Å; T322-F326 PolarHBondContact O-N 3.04Å; T322-F326 VanDerWaalsContact O-N 3.11Å; F326-A330 WeakPolarHBondContact O-CB 3.44Å; F326-A330 PolarHBondContact O-N 2.94Å
327	H	56.3	Low	57.8	Low	145 Å²	145	118.1 Å²	118.1	67%	0.671	62%	0.624	S	S	*	*	H	α-helix	trans	-77.1	-36.4	173.5	-121.2	57.4	0	0	0	112.2	K323 A324 L325 A330 V331	K323-H327 PolarHBondContact O-N 3.49Å; K323-H327 VanDerWaalsContact O-N 3.08Å; A324-H327 PolarHBondContact O-N 3.42Å; L325-H327 VanDerWaalsContact C-N 3.28Å; L325-H327 PolarHBondContact O-N 3.29Å; H327-A330 PolarHBondContact O-N 3.47Å; H327-V331 WeakPolarHBondContact O-CG2 3.42Å; H327-V331 PolarHBondContact O-N 3.44Å
328	A	56.6	Low	57.3	Low	61 Å²	61	119.1 Å²	119.1	50%	0.504	63%	0.629	S	S	.	*	H	α-helix	trans	-65.7	-44.4	176.1	0	0	0	0	0	111.8	A324 L325 A330 V331 E332	A324-A328 PolarHBondContact O-N 3.35Å; L325-A328 PolarHBondContact O-N 2.63Å; A328-A330 PolarHBondContact O-N 3.14Å; A328-V331 PolarHBondContact O-N 3.26Å; A328-E332 PolarHBondContact O-N 3.48Å
329	D	54.6	Low	56.7	Low	99 Å²	99	122.4 Å²	122.4	53%	0.529	64%	0.64	S	S	.	*	H	α-helix	trans	-65.7	-23.2	177.1	-78.1	-18.6	0	0	0	113.6	L325	L325-D329 PolarHBondContact O-N 3.35Å; L325-D329 VanDerWaalsContact O-N 3.09Å
330	A	55.4	Low	56.2	Low	59 Å²	59	126.1 Å²	126.1	49%	0.488	66%	0.656	S	S	.	*	H	α-helix	trans	-82.2	-25.2	177.6	0	0	0	0	0	112.8	F326 H327 A328	F326-A330 WeakPolarHBondContact O-CB 3.44Å; F326-A330 PolarHBondContact O-N 2.94Å; H327-A330 PolarHBondContact O-N 3.47Å; A328-A330 PolarHBondContact O-N 3.14Å
331	V	56.8	Low	55.5	Low	105 Å²	105	128.2 Å²	128.2	64%	0.636	66%	0.662	S	S	*	*	H	α-helix	trans	-82.5	-31.2	178.6	175.3	0	0	0	0	111.2	H327 A328 K333 C334	H327-V331 WeakPolarHBondContact O-CG2 3.42Å; H327-V331 PolarHBondContact O-N 3.44Å; A328-V331 PolarHBondContact O-N 3.26Å; V331-K333 PolarHBondContact O-N 3.12Å; V331-C334 PolarHBondContact O-N 2.88Å
332	E	54	Low	55.4	Low	164 Å²	164	124.1 Å²	124.1	77%	0.766	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	-5.1	178.7	-159.1	168.8	-178.5	0	0	114	A328	A328-E332 PolarHBondContact O-N 3.48Å
333	K	53.1	Low	55	Low	184 Å²	184	128.2 Å²	128.2	80%	0.8	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.3	7.9	176.1	-82.3	-177.4	177.9	174	0	115	V331	V331-K333 PolarHBondContact O-N 3.12Å
334	C	52.3	Low	54.7	Low	114 Å²	114	125.7 Å²	125.7	77%	0.77	68%	0.675	S	S	*	*			trans	-121.1	20.4	-179.3	-77.7	0	0	0	0	114.7	V331	V331-C334 PolarHBondContact O-N 2.88Å
335	E	43.5	Very low	54.3	Low	259 Å²	259	131.5 Å²	131.5	100%	1.21	69%	0.69	S	S	*	*			trans	-112	0	164.4	-77	-168.2	153.2	0	0	112.3

Retrieved 335 of 335 residues in 907.4 ms (Link to these results)

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