A0A087XKV1_POEFO Loading...

Carbonic anhydrase Xa

Does not have a catalytic activity.

AlphaFold DB , UniProt , Accession A0A087XKV1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 329 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.1	Very low	38.5	Very low	239 Å²	239	163.5 Å²	163.5	100%	1.177	80%	0.799	S	S	*	*				0	76.9	0	-109.5	-174.7	-74.6	0	0	105.3
2	M	35.6	Very low	38.1	Very low	161 Å²	161	164 Å²	164	79%	0.793	81%	0.807	S	S	*	*				59.8	112.6	59.7	-123.1	166.7	80.8	0	0	111.6
3	D	37.3	Very low	37.8	Very low	109 Å²	109	163.9 Å²	163.9	58%	0.583	80%	0.803	S	S	*	*			trans	70.3	129.5	156.6	-45.2	-35.7	0	0	0	116.3
4	I	46.7	Very low	37.9	Very low	156 Å²	156	157.4 Å²	157.4	80%	0.8	79%	0.788	S	S	*	*				-161.4	111.7	62.1	-74.8	149.5	0	0	0	106.1
5	I	39.5	Very low	37.6	Very low	123 Å²	123	157.3 Å²	157.3	63%	0.631	79%	0.791	S	S	*	*				57.3	107.3	83.6	-55.9	179.1	0	0	0	113
6	W	33.5	Very low	37.6	Very low	240 Å²	240	154.4 Å²	154.4	91%	0.909	78%	0.784	S	S	*	*			trans	18.7	114.8	136.9	-63.3	81.8	0	0	0	117.6
7	E	35.1	Very low	37.6	Very low	178 Å²	178	153.5 Å²	153.5	83%	0.832	78%	0.78	S	S	*	*				176.6	156.9	118.7	-95.3	-158.5	-178.1	0	0	112.1
8	L	33.9	Very low	37.4	Very low	157 Å²	157	150.9 Å²	150.9	82%	0.822	77%	0.772	S	S	*	*			trans	83.8	71.9	-172.6	-55.6	160.5	0	0	0	112.5
9	L	40.6	Very low	37.1	Very low	150 Å²	150	148.7 Å²	148.7	79%	0.785	77%	0.77	S	S	*	*				44.3	118.1	63.3	-120.7	139.5	0	0	0	112.1
10	I	41.7	Very low	37	Very low	151 Å²	151	148.3 Å²	148.3	77%	0.774	77%	0.768	S	S	*	*			trans	79.8	94.6	-173.5	-43.1	158.5	0	0	0	109
11	I	36.9	Very low	36.9	Very low	134 Å²	134	146.1 Å²	146.1	69%	0.687	77%	0.765	S	S	*	*				-151.4	97.1	81.2	-73.7	157.3	0	0	0	108.1	H13	I11-H13 VanDerWaalsContact C-N 3.29Å; I11-H13 HydrophobicContact CG2-CB 4.28Å; I11-H13 VanDerWaalsContact CG2-CE1 3.47Å; I11-H13 WeakPolarHBondContact CG2-CE1 3.48Å; I11-H13 WeakPolarHBondContact CG2-ND1 3.49Å; I11-H13 PolarHBondContact O-N 2.61Å; I11-H13 VanDerWaalsContact O-N 3.11Å
12	L	32.9	Very low	36.6	Very low	170 Å²	170	138.7 Å²	138.7	89%	0.89	74%	0.742	S	S	*	*			trans	-75.6	85.1	162	-164.7	92.7	0	0	0	106.6	A14	L12-A14 VanDerWaalsContact C-N 3.31Å; L12-A14 PolarHBondContact O-N 3.44Å
13	H	35.2	Very low	36.7	Very low	163 Å²	163	138.7 Å²	138.7	76%	0.755	74%	0.741	S	S	*	*			trans	-74.2	95.9	165.9	-94.9	36.1	0	0	0	108	I11 N15	I11-H13 VanDerWaalsContact C-N 3.29Å; I11-H13 HydrophobicContact CG2-CB 4.28Å; I11-H13 VanDerWaalsContact CG2-CE1 3.47Å; I11-H13 WeakPolarHBondContact CG2-CE1 3.48Å; I11-H13 WeakPolarHBondContact CG2-ND1 3.49Å; I11-H13 PolarHBondContact O-N 2.61Å; I11-H13 VanDerWaalsContact O-N 3.11Å; H13-N15 PolarHBondContact O-N 3.31Å
14	A	38.2	Very low	36.5	Very low	72 Å²	72	139.5 Å²	139.5	60%	0.595	75%	0.752	S	S	*	*			trans	-47.7	108.7	163	0	0	0	0	0	109	L12 V16	L12-A14 VanDerWaalsContact C-N 3.31Å; L12-A14 PolarHBondContact O-N 3.44Å; A14-V16 HydrophobicContact CB-CG2 4.15Å; A14-V16 PolarHBondContact O-N 2.86Å
15	N	33.7	Very low	35.8	Very low	156 Å²	156	139.4 Å²	139.4	83%	0.834	75%	0.753	S	S	*	*			trans	-67.4	82.1	158	-82.8	-55.3	0	0	0	107.1	H13 I17	H13-N15 PolarHBondContact O-N 3.31Å; N15-I17 PolarHBondContact O-N 2.92Å
16	V	37.7	Very low	35.3	Very low	111 Å²	111	140 Å²	140	67%	0.673	76%	0.757	S	S	*	*			trans	-67.1	95	163.1	178	0	0	0	0	105.3	A14 V18	A14-V16 HydrophobicContact CB-CG2 4.15Å; A14-V16 PolarHBondContact O-N 2.86Å; V16-V18 HydrophobicContact CG1-CG2 3.94Å; V16-V18 PolarHBondContact O-N 2.94Å
17	I	37.9	Very low	35.1	Very low	139 Å²	139	133.2 Å²	133.2	71%	0.713	74%	0.743	S	S	*	*			trans	-62.7	96.2	160.8	-63.7	173	0	0	0	104.8	N15 C19	N15-I17 PolarHBondContact O-N 2.92Å; I17-C19 PolarHBondContact O-N 3.07Å
18	V	33.4	Very low	35	Very low	107 Å²	107	134.4 Å²	134.4	65%	0.648	75%	0.746	S	S	*	*			trans	-67.4	89.5	164.7	-177.4	0	0	0	0	105.2	V16 I20	V16-V18 HydrophobicContact CG1-CG2 3.94Å; V16-V18 PolarHBondContact O-N 2.94Å; V18-I20 HydrophobicContact CG1-CG1 3.67Å; V18-I20 PolarHBondContact O-N 2.82Å
19	C	31.9	Very low	35.2	Very low	109 Å²	109	133.3 Å²	133.3	74%	0.736	74%	0.739	S	S	*	*			trans	-63.2	86.2	159.3	-76.6	0	0	0	0	106.4	I17 S21	I17-C19 PolarHBondContact O-N 3.07Å; C19-S21 PolarHBondContact O-N 3.02Å
20	I	34.7	Very low	35.3	Very low	141 Å²	141	132.4 Å²	132.4	72%	0.723	73%	0.731	S	S	*	*			trans	-63	96.5	160.1	-56	177.3	0	0	0	103.6	V18 A22	V18-I20 HydrophobicContact CG1-CG1 3.67Å; V18-I20 PolarHBondContact O-N 2.82Å; I20-A22 PolarHBondContact O-N 3.4Å
21	S	35.8	Very low	35.6	Very low	102 Å²	102	131.8 Å²	131.8	71%	0.713	73%	0.725	S	S	*	*			trans	-61.1	91.4	162.6	59.6	0	0	0	0	105.5	C19 Q23	C19-S21 PolarHBondContact O-N 3.02Å; S21-Q23 VanDerWaalsContact C-N 3.32Å; S21-Q23 PolarHBondContact O-N 3.21Å
22	A	36.1	Very low	36.7	Very low	84 Å²	84	127 Å²	127	69%	0.694	71%	0.708	S	S	*	*			trans	-55.5	107	164.8	0	0	0	0	0	104.9	I20	I20-A22 PolarHBondContact O-N 3.4Å
23	Q	37.6	Very low	38.9	Very low	161 Å²	161	125.7 Å²	125.7	75%	0.752	69%	0.692	S	S	*	*			trans	-50.4	130	167.5	-72.6	-179.2	-38	0	0	105.8	S21 N25	S21-Q23 VanDerWaalsContact C-N 3.32Å; S21-Q23 PolarHBondContact O-N 3.21Å; Q23-N25 VanDerWaalsContact C-N 3.3Å; Q23-N25 PolarHBondContact O-N 3.06Å
24	P	33.1	Very low	41.5	Very low	126 Å²	126	119.3 Å²	119.3	82%	0.818	66%	0.661	S	S	*	*			trans	-59.7	105.8	171.7	22.8	-28.9	0	0	0	105.8	L26	P24-L26 VanDerWaalsContact C-N 3.31Å; P24-L26 PolarHBondContact O-N 3.44Å
25	N	31.7	Very low	44	Very low	154 Å²	154	116.2 Å²	116.2	82%	0.824	64%	0.635	S	S	*	*			trans	-54.6	106.8	166.5	-83.9	-41.4	0	0	0	104.8	Q23	Q23-N25 VanDerWaalsContact C-N 3.3Å; Q23-N25 PolarHBondContact O-N 3.06Å
26	L	29.4	Very low	46.8	Very low	136 Å²	136	109.4 Å²	109.4	71%	0.712	60%	0.598	S	S	*	*			trans	-47.8	127.7	167.5	-158.9	77.7	0	0	0	105.3	P24 K28	P24-L26 VanDerWaalsContact C-N 3.31Å; P24-L26 PolarHBondContact O-N 3.44Å; L26-K28 PolarHBondContact O-N 3.38Å
27	P	30	Very low	49.1	Very low	97 Å²	97	106.5 Å²	106.5	63%	0.63	58%	0.576	S	S	*	*			trans	-51.5	124.6	-179.7	19.4	-29.6	0	0	0	106.7	I29	P27-I29 PolarHBondContact O-N 2.74Å
28	K	32.6	Very low	51	Low	202 Å²	202	107.6 Å²	107.6	88%	0.878	58%	0.578	S	S	*	*			trans	-57.9	93.2	173.6	-76.4	-179	176.4	-180	0	106.3	L26 H30	L26-K28 PolarHBondContact O-N 3.38Å; K28-H30 PolarHBondContact O-N 3.18Å
29	I	37.3	Very low	52.9	Low	135 Å²	135	104.1 Å²	104.1	69%	0.692	56%	0.557	S	S	*	*			trans	-70	86	173	-64.6	172.7	0	0	0	105.3	P27 E31	P27-I29 PolarHBondContact O-N 2.74Å; I29-E31 PolarHBondContact O-N 2.89Å
30	H	42.9	Very low	54.4	Low	131 Å²	131	105.8 Å²	105.8	61%	0.606	56%	0.564	S	S	*	*			trans	20.1	74	156.5	-75.7	-68.3	0	0	0	115.6	K28 G32 W33	K28-H30 PolarHBondContact O-N 3.18Å; H30-G32 PolarHBondContact O-N 3.01Å; H30-W33 VanDerWaalsContact CB-CD1 3.5Å; H30-W33 HydrophobicContact CB-CG 4.15Å; H30-W33 AromaticContact CG-NE1 3.73Å; H30-W33 AromaticContact ND1-CE2 3.97Å; H30-W33 AromaticContact ND1-NE1 3.39Å; H30-W33 PolarHBondContact ND1-NE1 2.86Å
31	E	47.9	Very low	55.6	Low	138 Å²	138	103.3 Å²	103.3	65%	0.645	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	96.5	172.7	-70.3	-168.2	172.7	0	0	110.4	I29	I29-E31 PolarHBondContact O-N 2.89Å
32	G	61.3	Low	56.7	Low	33 Å²	33	103 Å²	103	34%	0.34	56%	0.562	S	S	.	*	T	Hydrogen-bonded Turn	trans	145.2	-1.7	170.5	0	0	0	0	0	116.7	H30 W34	H30-G32 PolarHBondContact O-N 3.01Å; G32-W34 PolarHBondContact O-N 3.36Å
33	W	79.2	Confident	58.3	Low	143 Å²	143	103.4 Å²	103.4	54%	0.542	56%	0.56	S	S	.	*	S	Bend	trans	-85.4	-0.5	-169.8	-75	60.8	0	0	0	115.9	H30 P46 W58	H30-W33 VanDerWaalsContact CB-CD1 3.5Å; H30-W33 HydrophobicContact CB-CG 4.15Å; H30-W33 AromaticContact CG-NE1 3.73Å; H30-W33 AromaticContact ND1-CE2 3.97Å; H30-W33 AromaticContact ND1-NE1 3.39Å; H30-W33 PolarHBondContact ND1-NE1 2.86Å; W33-P46 VanDerWaalsContact O-CD 3.27Å; W33-P46 WeakPolarHBondContact O-CD 3.47Å; W33-P46 WeakPolarHBondContact O-CG 3.38Å; W33-W58 HydrophobicContact CB-CH2 3.62Å; W33-W58 HydrophobicContact CB-CZ2 4.23Å; W33-W58 VanDerWaalsContact O-CH2 3.32Å; W33-W58 WeakPolarHBondContact O-CH2 3.42Å; W33-W58 WeakPolarHBondContact O-CZ3 3.33Å
34	W	89.7	Confident	60.3	Low	28 Å²	28	102.2 Å²	102.2	11%	0.106	55%	0.552	C	S	.	*			trans	-158	154.2	179.1	68.9	-93.2	0	0	0	111.3	G32 Y36 V45 P46 W51 W58 R104 I242 P243	G32-W34 PolarHBondContact O-N 3.36Å; W34-Y36 HydrophobicContact CH2-CD2 4.45Å; W34-Y36 AromaticContact CH2-CE2 3.73Å; W34-Y36 HydrophobicContact CH2-CE2 3.73Å; W34-Y36 AromaticContact CH2-CZ 3.78Å; W34-Y36 HydrophobicContact CZ3-CD1 4.34Å; W34-Y36 AromaticContact CZ3-CD2 3.86Å; W34-Y36 HydrophobicContact CZ3-CD2 3.86Å; W34-Y36 HydrophobicContact CZ3-CE1 4.06Å; W34-Y36 AromaticContact CZ3-CE2 3.56Å; W34-Y36 HydrophobicContact CZ3-CE2 3.56Å; W34-Y36 HydrophobicContact CZ3-CG 4.24Å; W34-Y36 AromaticContact CZ3-CZ 3.67Å; W34-V45 VanDerWaalsContact C-CG1 3.49Å; W34-P46 WeakPolarHBondContact CA-O 3.41Å; W34-W51 HydrophobicContact CD2-CZ2 4.44Å; W34-W51 AromaticContact CE3-CE2 3.82Å; W34-W51 HydrophobicContact CE3-CH2 4.34Å; W34-W51 AromaticContact CE3-CZ2 3.45Å; W34-W51 HydrophobicContact CE3-CZ2 3.45Å; W34-W51 VanDerWaalsContact CE3-CZ2 3.45Å; W34-W51 AromaticContact CE3-NE1 3.93Å; W34-W51 HydrophobicContact CZ3-CH2 4.17Å; W34-W51 AromaticContact CZ3-CZ2 3.63Å; W34-W51 HydrophobicContact CZ3-CZ2 3.63Å; W34-W58 HydrophobicContact CB-CH2 3.85Å; W34-W58 HydrophobicContact CB-CZ3 3.88Å; W34-W58 AromaticContact CD1-CH2 3.83Å; W34-W58 HydrophobicContact CG-CH2 4.21Å; W34-R104 HydrophobicContact CH2-CB 4.39Å; W34-R104 HydrophobicContact CH2-CG 4.44Å; W34-R104 HydrophobicContact CZ3-CG 4.49Å; W34-R104 PolarHBondContact O-NH1 2.83Å; W34-I242 HydrophobicContact CH2-CB 3.91Å; W34-I242 HydrophobicContact CH2-CG2 3.56Å; W34-I242 HydrophobicContact CZ2-CB 3.93Å; W34-I242 HydrophobicContact CZ2-CD1 4.48Å; W34-I242 HydrophobicContact CZ2-CG2 4.05Å; W34-I242 HydrophobicContact CZ3-CG2 4.35Å; W34-P243 HydrophobicContact CB-CG 4.35Å; W34-P243 HydrophobicContact CD2-CG 4.13Å; W34-P243 HydrophobicContact CG-CG 3.99Å
35	A	90.9	Very high	62.8	Low	7 Å²	7	97.7 Å²	97.7	6%	0.058	52%	0.522	C	S	.	.			trans	-137.9	168.4	176	0	0	0	0	0	110.5	K37 V39 V45 P46 V47 W51	A35-K37 WeakPolarHBondContact CB-O 3.49Å; A35-V39 HydrophobicContact CB-CG1 4.2Å; A35-V45 HydrophobicContact CB-CG1 3.78Å; A35-P46 PolarHBondContact N-O 2.94Å; A35-V47 WeakPolarHBondContact O-CA 3.36Å; A35-W51 PolarHBondContact O-NE1 2.67Å; A35-W51 VanDerWaalsContact O-NE1 3.15Å
36	Y	90.9	Very high	65.5	Low	13 Å²	13	91 Å²	91	5%	0.051	49%	0.487	C	S	.	.	S	Bend	trans	-85.8	-29.4	170.8	-72.7	-77.1	0	0	0	112.7	W34 P48 W51 R104 H135 I242 N286	W34-Y36 HydrophobicContact CH2-CD2 4.45Å; W34-Y36 AromaticContact CH2-CE2 3.73Å; W34-Y36 HydrophobicContact CH2-CE2 3.73Å; W34-Y36 AromaticContact CH2-CZ 3.78Å; W34-Y36 HydrophobicContact CZ3-CD1 4.34Å; W34-Y36 AromaticContact CZ3-CD2 3.86Å; W34-Y36 HydrophobicContact CZ3-CD2 3.86Å; W34-Y36 HydrophobicContact CZ3-CE1 4.06Å; W34-Y36 AromaticContact CZ3-CE2 3.56Å; W34-Y36 HydrophobicContact CZ3-CE2 3.56Å; W34-Y36 HydrophobicContact CZ3-CG 4.24Å; W34-Y36 AromaticContact CZ3-CZ 3.67Å; Y36-P48 WeakPolarHBondContact O-CD 3.45Å; Y36-W51 HydrophobicContact CD1-CH2 4.16Å; Y36-W51 HydrophobicContact CD1-CZ2 4.19Å; Y36-W51 AromaticContact CE1-CH2 3.96Å; Y36-W51 HydrophobicContact CE1-CH2 3.96Å; Y36-W51 HydrophobicContact CE1-CZ2 4.33Å; Y36-R104 HydrophobicContact CD2-CB 4.37Å; Y36-R104 HydrophobicContact CE2-CB 4.1Å; Y36-H135 PolarHBondContact OH-CE1 3.49Å; Y36-H135 VanDerWaalsContact OH-CE1 3.27Å; Y36-I242 WeakPolarHBondContact OH-CG2 3.32Å; Y36-N286 VanDerWaalsContact CD1-C 3.5Å; Y36-N286 HydrophobicContact CD2-CB 3.59Å; Y36-N286 WeakPolarHBondContact CE1-O 3.28Å; Y36-N286 HydrophobicContact CE2-CB 3.84Å; Y36-N286 HydrophobicContact CG-CB 4.13Å
37	K	86.6	Confident	68.5	Low	50 Å²	50	85.2 Å²	85.2	22%	0.217	46%	0.458	C	S	.	.	S	Bend	trans	-138	163.2	-178.9	66	-170	-175.6	-166.9	0	110.8	A35 V39 S282 S284	A35-K37 WeakPolarHBondContact CB-O 3.49Å; K37-V39 PolarHBondContact O-N 2.85Å; K37-S282 WeakPolarHBondContact CE-O 3.47Å; K37-S282 PolarHBondContact NZ-O 3.5Å; K37-S284 PolarHBondContact NZ-O 2.65Å
38	E	78.8	Confident	71.5	Confident	162 Å²	162	81.6 Å²	81.6	76%	0.757	43%	0.434	S	S	*	.			trans	-58.4	135.3	179.8	-64.6	-176.3	-180	0	0	110.4	V47	E38-V47 HydrophobicContact CG-CG1 4.28Å
39	V	72.7	Confident	74.3	Confident	34 Å²	34	76.1 Å²	76.1	21%	0.206	42%	0.422	C	S	.	.			trans	-105.9	136.7	176.6	-64.5	0	0	0	0	108.8	A35 K37 Q41 V45 L281	A35-V39 HydrophobicContact CB-CG1 4.2Å; K37-V39 PolarHBondContact O-N 2.85Å; V39-Q41 PolarHBondContact O-N 3.22Å; V39-Q41 VanDerWaalsContact O-N 3.12Å; V39-V45 HydrophobicContact CG2-CB 3.74Å; V39-V45 HydrophobicContact CG2-CG2 3.52Å; V39-L281 HydrophobicContact CG1-CD2 4.25Å
40	V	63.4	Low	76.9	Confident	145 Å²	145	73.7 Å²	73.7	88%	0.879	41%	0.406	S	S	*	.			trans	-78.1	9.7	-178.2	-162	0	0	0	0	112
41	Q	60	Low	79.3	Confident	89 Å²	89	67.5 Å²	67.5	42%	0.416	38%	0.377	S	S	.	.	S	Bend	trans	-83.6	128.4	176.3	-71.7	175	3.7	0	0	108	V39 S43 Q278	V39-Q41 PolarHBondContact O-N 3.22Å; V39-Q41 VanDerWaalsContact O-N 3.12Å; Q41-S43 PolarHBondContact O-N 3.41Å; Q41-S43 VanDerWaalsContact O-O 3.08Å; Q41-Q278 VanDerWaalsContact NE2-NE2 3.12Å
42	G	59	Low	81.3	Confident	95 Å²	95	61.4 Å²	61.4	98%	0.979	35%	0.351	S	S	*	.	S	Bend	trans	-59.6	18.9	-167.1	0	0	0	0	0	118.7
43	S	69	Low	82.6	Confident	93 Å²	93	65.4 Å²	65.4	65%	0.65	37%	0.365	S	S	*	.	S	Bend	trans	-120.2	133.1	170	-60.1	0	0	0	0	109.4	Q41 V45	Q41-S43 PolarHBondContact O-N 3.41Å; Q41-S43 VanDerWaalsContact O-O 3.08Å; S43-V45 PolarHBondContact O-N 2.87Å
44	F	79.6	Confident	82.9	Confident	135 Å²	135	62 Å²	62	59%	0.592	36%	0.359	S	S	*	.			trans	-59.6	122.8	176.6	174.8	-97.3	0	0	0	111.2	P46 F50 V54	F44-P46 HydrophobicContact CD1-CG 4.49Å; F44-P46 HydrophobicContact CE1-CB 4.45Å; F44-P46 HydrophobicContact CE1-CG 3.97Å; F44-F50 HydrophobicContact CE2-CD2 4.48Å; F44-F50 HydrophobicContact CZ-CB 4.1Å; F44-F50 HydrophobicContact CZ-CD1 4.18Å; F44-F50 HydrophobicContact CZ-CD2 4.13Å; F44-F50 AromaticContact CZ-CG 3.88Å; F44-F50 HydrophobicContact CZ-CG 3.88Å; F44-V54 HydrophobicContact CE1-CG1 4.14Å
45	V	86.2	Confident	82.7	Confident	31 Å²	31	62.5 Å²	62.5	19%	0.188	36%	0.364	C	S	.	.			trans	-113.3	121.9	171.9	-178	0	0	0	0	108.9	W34 A35 V39 S43 V47	W34-V45 VanDerWaalsContact C-CG1 3.49Å; A35-V45 HydrophobicContact CB-CG1 3.78Å; V39-V45 HydrophobicContact CG2-CB 3.74Å; V39-V45 HydrophobicContact CG2-CG2 3.52Å; S43-V45 PolarHBondContact O-N 2.87Å; V45-V47 PolarHBondContact O-N 3.23Å
46	P	87.6	Confident	82.5	Confident	13 Å²	13	67.7 Å²	67.7	8%	0.084	40%	0.4	C	S	.	.			trans	-55.6	121.1	179.9	-27.5	33.4	0	0	0	113.7	W33 W34 A35 F44 F50 W51 V54	W33-P46 VanDerWaalsContact O-CD 3.27Å; W33-P46 WeakPolarHBondContact O-CD 3.47Å; W33-P46 WeakPolarHBondContact O-CG 3.38Å; W34-P46 WeakPolarHBondContact CA-O 3.41Å; A35-P46 PolarHBondContact N-O 2.94Å; F44-P46 HydrophobicContact CD1-CG 4.49Å; F44-P46 HydrophobicContact CE1-CB 4.45Å; F44-P46 HydrophobicContact CE1-CG 3.97Å; P46-F50 HydrophobicContact CB-CB 4.36Å; P46-W51 PolarHBondContact O-NE1 2.89Å; P46-W51 VanDerWaalsContact O-NE1 3.14Å; P46-V54 HydrophobicContact CB-CG2 3.61Å; P46-V54 HydrophobicContact CG-CB 4.33Å; P46-V54 HydrophobicContact CG-CG2 3.27Å
47	V	92.4	Very high	82.5	Confident	16 Å²	16	70.2 Å²	70.2	10%	0.097	42%	0.424	C	S	.	.			trans	-91.2	171.1	169.2	-59.8	0	0	0	0	110.6	A35 E38 V45 S49 F50 W51	A35-V47 WeakPolarHBondContact O-CA 3.36Å; E38-V47 HydrophobicContact CG-CG1 4.28Å; V45-V47 PolarHBondContact O-N 3.23Å; V47-S49 PolarHBondContact O-N 2.93Å; V47-F50 HydrophobicContact CG2-CD2 3.74Å; V47-F50 HydrophobicContact CG2-CE2 4.33Å; V47-F50 WeakPolarHBondContact O-CA 3.44Å; V47-F50 PolarHBondContact O-N 3.26Å; V47-W51 VanDerWaalsContact C-CD1 3.43Å; V47-W51 VanDerWaalsContact C-NE1 3.3Å; V47-W51 PolarHBondContact O-N 3.19Å; V47-W51 VanDerWaalsContact O-N 3.17Å; V47-W51 PolarHBondContact O-NE1 3.32Å
48	P	93.6	Very high	82.8	Confident	20 Å²	20	69.2 Å²	69.2	13%	0.13	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-37.9	-172	-32	36.5	0	0	0	116.1	Y36 F50 W51 R288	Y36-P48 WeakPolarHBondContact O-CD 3.45Å; P48-F50 PolarHBondContact O-N 3.41Å; P48-W51 HydrophobicContact CB-CD2 4.35Å; P48-W51 HydrophobicContact CB-CE3 4.39Å; P48-W51 HydrophobicContact CB-CH2 4.24Å; P48-W51 HydrophobicContact CB-CZ2 4.17Å; P48-W51 HydrophobicContact CB-CZ3 4.34Å; P48-W51 HydrophobicContact CG-CH2 3.89Å; P48-W51 HydrophobicContact CG-CZ2 3.61Å; P48-W51 HydrophobicContact CG-CZ3 4.48Å; P48-R288 HydrophobicContact CB-CG 4.22Å
49	S	91.4	Very high	83.6	Confident	88 Å²	88	65.2 Å²	65.2	62%	0.615	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-21	177.3	50.2	0	0	0	0	114.1	V47	V47-S49 PolarHBondContact O-N 2.93Å
50	F	92.5	Very high	84.7	Confident	84 Å²	84	66.5 Å²	66.5	37%	0.368	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-10.8	-177.8	-69.1	-80.9	0	0	0	114.3	F44 P46 V47 P48 G52 L53 V54	F44-F50 HydrophobicContact CE2-CD2 4.48Å; F44-F50 HydrophobicContact CZ-CB 4.1Å; F44-F50 HydrophobicContact CZ-CD1 4.18Å; F44-F50 HydrophobicContact CZ-CD2 4.13Å; F44-F50 AromaticContact CZ-CG 3.88Å; F44-F50 HydrophobicContact CZ-CG 3.88Å; P46-F50 HydrophobicContact CB-CB 4.36Å; V47-F50 HydrophobicContact CG2-CD2 3.74Å; V47-F50 HydrophobicContact CG2-CE2 4.33Å; V47-F50 WeakPolarHBondContact O-CA 3.44Å; V47-F50 PolarHBondContact O-N 3.26Å; P48-F50 PolarHBondContact O-N 3.41Å; F50-G52 VanDerWaalsContact C-N 3.31Å; F50-G52 PolarHBondContact O-N 3.4Å; F50-L53 HydrophobicContact CD1-CD1 4.11Å; F50-L53 PolarHBondContact O-N 2.82Å; F50-V54 HydrophobicContact CB-CG1 4.31Å; F50-V54 VanDerWaalsContact O-CG2 3.25Å; F50-V54 WeakPolarHBondContact O-CG2 3.28Å; F50-V54 PolarHBondContact O-N 2.94Å
51	W	92.8	Very high	86.2	Confident	0 Å²	0	60 Å²	60	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-50.4	-48.1	-175.2	-70.1	-11.9	0	0	0	112.9	W34 A35 Y36 P46 V47 P48 L53 W58 C61 T241 P243 R288	W34-W51 HydrophobicContact CD2-CZ2 4.44Å; W34-W51 AromaticContact CE3-CE2 3.82Å; W34-W51 HydrophobicContact CE3-CH2 4.34Å; W34-W51 AromaticContact CE3-CZ2 3.45Å; W34-W51 HydrophobicContact CE3-CZ2 3.45Å; W34-W51 VanDerWaalsContact CE3-CZ2 3.45Å; W34-W51 AromaticContact CE3-NE1 3.93Å; W34-W51 HydrophobicContact CZ3-CH2 4.17Å; W34-W51 AromaticContact CZ3-CZ2 3.63Å; W34-W51 HydrophobicContact CZ3-CZ2 3.63Å; A35-W51 PolarHBondContact O-NE1 2.67Å; A35-W51 VanDerWaalsContact O-NE1 3.15Å; Y36-W51 HydrophobicContact CD1-CH2 4.16Å; Y36-W51 HydrophobicContact CD1-CZ2 4.19Å; Y36-W51 AromaticContact CE1-CH2 3.96Å; Y36-W51 HydrophobicContact CE1-CH2 3.96Å; Y36-W51 HydrophobicContact CE1-CZ2 4.33Å; P46-W51 PolarHBondContact O-NE1 2.89Å; P46-W51 VanDerWaalsContact O-NE1 3.14Å; V47-W51 VanDerWaalsContact C-CD1 3.43Å; V47-W51 VanDerWaalsContact C-NE1 3.3Å; V47-W51 PolarHBondContact O-N 3.19Å; V47-W51 VanDerWaalsContact O-N 3.17Å; V47-W51 PolarHBondContact O-NE1 3.32Å; P48-W51 HydrophobicContact CB-CD2 4.35Å; P48-W51 HydrophobicContact CB-CE3 4.39Å; P48-W51 HydrophobicContact CB-CH2 4.24Å; P48-W51 HydrophobicContact CB-CZ2 4.17Å; P48-W51 HydrophobicContact CB-CZ3 4.34Å; P48-W51 HydrophobicContact CG-CH2 3.89Å; P48-W51 HydrophobicContact CG-CZ2 3.61Å; P48-W51 HydrophobicContact CG-CZ3 4.48Å; W51-L53 VanDerWaalsContact C-N 3.34Å; W51-L53 PolarHBondContact O-N 3.2Å; W51-W58 HydrophobicContact CB-CE3 4.43Å; W51-W58 WeakPolarHBondContact O-CB 3.31Å; W51-C61 HydrophobicContact CB-CB 3.97Å; W51-T241 WeakPolarHBondContact CH2-O 3.38Å; W51-T241 VanDerWaalsContact CZ3-O 3.24Å; W51-T241 WeakPolarHBondContact CZ3-O 3.42Å; W51-P243 HydrophobicContact CB-CG 4.12Å; W51-P243 HydrophobicContact CD2-CG 3.45Å; W51-P243 VanDerWaalsContact CD2-CG 3.45Å; W51-P243 HydrophobicContact CE3-CG 3.72Å; W51-P243 HydrophobicContact CG-CG 3.65Å; W51-P243 HydrophobicContact CZ2-CG 4.49Å; W51-P243 HydrophobicContact CZ3-CG 4.34Å; W51-R288 HydrophobicContact CH2-CB 4.31Å; W51-R288 HydrophobicContact CH2-CG 4.17Å; W51-R288 HydrophobicContact CZ3-CB 4.38Å; W51-R288 HydrophobicContact CZ3-CG 3.82Å
52	G	89.6	Confident	87.8	Confident	10 Å²	10	59 Å²	59	10%	0.103	37%	0.372	C	S	.	.	H	α-helix	trans	-80	-8	-179.4	0	0	0	0	0	115.7	F50 W58	F50-G52 VanDerWaalsContact C-N 3.31Å; F50-G52 PolarHBondContact O-N 3.4Å; G52-W58 VanDerWaalsContact CA-O 3.3Å; G52-W58 WeakPolarHBondContact CA-O 3.48Å
53	L	88.8	Confident	89.5	Confident	118 Å²	118	58.1 Å²	58.1	62%	0.618	35%	0.347	S	S	*	.	H	α-helix	trans	-95.2	-29	-174.9	-61.3	179.3	0	0	0	113.1	F50 W51	F50-L53 HydrophobicContact CD1-CD1 4.11Å; F50-L53 PolarHBondContact O-N 2.82Å; W51-L53 VanDerWaalsContact C-N 3.34Å; W51-L53 PolarHBondContact O-N 3.2Å
54	V	85.8	Confident	90.8	Very high	71 Å²	71	54.2 Å²	54.2	43%	0.43	32%	0.322	S	S	.	.	H	α-helix	trans	-107.5	-14.1	-167.4	-59.5	0	0	0	0	113.8	F44 P46 F50	F44-V54 HydrophobicContact CE1-CG1 4.14Å; P46-V54 HydrophobicContact CB-CG2 3.61Å; P46-V54 HydrophobicContact CG-CB 4.33Å; P46-V54 HydrophobicContact CG-CG2 3.27Å; F50-V54 HydrophobicContact CB-CG1 4.31Å; F50-V54 VanDerWaalsContact O-CG2 3.25Å; F50-V54 WeakPolarHBondContact O-CG2 3.28Å; F50-V54 PolarHBondContact O-N 2.94Å
55	N	85.1	Confident	91.7	Very high	38 Å²	38	54.4 Å²	54.4	20%	0.203	32%	0.322	C	S	.	.			trans	-134.4	116.2	176.2	-172.1	-21.7	0	0	0	109.5	A57 W58	N55-A57 PolarHBondContact O-N 3.08Å; N55-A57 WeakPolarHBondContact OD1-CB 3.43Å; N55-A57 PolarHBondContact OD1-N 2.88Å; N55-W58 HydrophobicContact CB-CB 4.32Å; N55-W58 HydrophobicContact CB-CD2 3.64Å; N55-W58 HydrophobicContact CB-CE3 3.56Å; N55-W58 HydrophobicContact CB-CG 3.99Å; N55-W58 HydrophobicContact CB-CZ3 4.11Å; N55-W58 VanDerWaalsContact ND2-CE2 3.3Å; N55-W58 WeakPolarHBondContact ND2-CZ2 3.46Å; N55-W58 WeakPolarHBondContact O-CA 3.4Å; N55-W58 PolarHBondContact O-N 3.48Å
56	S	87.4	Confident	92.2	Very high	116 Å²	116	58.1 Å²	58.1	81%	0.811	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-60.8	-28.9	-179	57.3	0	0	0	0	112.9	W58 N59	S56-W58 PolarHBondContact O-N 2.74Å; S56-N59 WeakPolarHBondContact O-CB 3.48Å; S56-N59 PolarHBondContact O-N 3.4Å
57	A	90	Very high	92.7	Very high	67 Å²	67	57.7 Å²	57.7	55%	0.554	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-66.9	-16.2	174.8	0	0	0	0	0	112.9	N55	N55-A57 PolarHBondContact O-N 3.08Å; N55-A57 WeakPolarHBondContact OD1-CB 3.43Å; N55-A57 PolarHBondContact OD1-N 2.88Å
58	W	93.6	Very high	93	Very high	28 Å²	28	56.9 Å²	56.9	11%	0.106	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-109.5	14.4	-178.4	-55	-16.7	0	0	0	112.7	W33 W34 W51 G52 N55 S56 L60 C61 P243	W33-W58 HydrophobicContact CB-CH2 3.62Å; W33-W58 HydrophobicContact CB-CZ2 4.23Å; W33-W58 VanDerWaalsContact O-CH2 3.32Å; W33-W58 WeakPolarHBondContact O-CH2 3.42Å; W33-W58 WeakPolarHBondContact O-CZ3 3.33Å; W34-W58 HydrophobicContact CB-CH2 3.85Å; W34-W58 HydrophobicContact CB-CZ3 3.88Å; W34-W58 AromaticContact CD1-CH2 3.83Å; W34-W58 HydrophobicContact CG-CH2 4.21Å; W51-W58 HydrophobicContact CB-CE3 4.43Å; W51-W58 WeakPolarHBondContact O-CB 3.31Å; G52-W58 VanDerWaalsContact CA-O 3.3Å; G52-W58 WeakPolarHBondContact CA-O 3.48Å; N55-W58 HydrophobicContact CB-CB 4.32Å; N55-W58 HydrophobicContact CB-CD2 3.64Å; N55-W58 HydrophobicContact CB-CE3 3.56Å; N55-W58 HydrophobicContact CB-CG 3.99Å; N55-W58 HydrophobicContact CB-CZ3 4.11Å; N55-W58 VanDerWaalsContact ND2-CE2 3.3Å; N55-W58 WeakPolarHBondContact ND2-CZ2 3.46Å; N55-W58 WeakPolarHBondContact O-CA 3.4Å; N55-W58 PolarHBondContact O-N 3.48Å; S56-W58 PolarHBondContact O-N 2.74Å; W58-L60 PolarHBondContact O-N 3.27Å; W58-C61 WeakPolarHBondContact O-CB 3.46Å; W58-C61 PolarHBondContact O-N 3.43Å; W58-C61 PolarHBondContact O-SG 2.8Å; W58-C61 VanDerWaalsContact O-SG 3.37Å; W58-P243 HydrophobicContact CB-CB 4.44Å; W58-P243 HydrophobicContact CD2-CB 3.52Å; W58-P243 HydrophobicContact CD2-CG 4.23Å; W58-P243 HydrophobicContact CE3-CB 3.97Å; W58-P243 HydrophobicContact CE3-CG 4.17Å; W58-P243 HydrophobicContact CG-CB 3.74Å; W58-P243 HydrophobicContact CZ2-CB 4.15Å; W58-P243 HydrophobicContact CZ3-CB 4.45Å; W58-P243 HydrophobicContact CZ3-CG 4.44Å
59	N	94.3	Very high	93.3	Very high	78 Å²	78	56 Å²	56	42%	0.417	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-35.8	-177.2	-176.6	25.3	0	0	0	112.9	S56 C61 S62 V63	S56-N59 WeakPolarHBondContact O-CB 3.48Å; S56-N59 PolarHBondContact O-N 3.4Å; N59-C61 PolarHBondContact O-N 2.95Å; N59-C61 VanDerWaalsContact O-N 3.12Å; N59-S62 PolarHBondContact O-N 2.99Å; N59-V63 WeakPolarHBondContact O-CG2 3.5Å; N59-V63 PolarHBondContact O-N 3.12Å; N59-V63 VanDerWaalsContact OD1-CG1 3.31Å; N59-V63 WeakPolarHBondContact OD1-CG1 3.21Å; N59-V63 WeakPolarHBondContact OD1-CG2 3.26Å
60	L	95.8	Very high	93.6	Very high	62 Å²	62	51.8 Å²	51.8	33%	0.325	29%	0.29	S	S	.	.	H	α-helix	trans	-57	-28.4	176.9	-69.1	179	0	0	0	113.4	W58 S62 G64 Q67 F246	W58-L60 PolarHBondContact O-N 3.27Å; L60-S62 PolarHBondContact O-N 2.74Å; L60-S62 VanDerWaalsContact O-N 3.15Å; L60-G64 VanDerWaalsContact O-CA 3.31Å; L60-G64 WeakPolarHBondContact O-CA 3.36Å; L60-G64 PolarHBondContact O-N 3.29Å; L60-Q67 PolarHBondContact O-NE2 2.8Å; L60-Q67 VanDerWaalsContact O-NE2 3.15Å; L60-F246 HydrophobicContact CD1-CD1 3.9Å
61	C	96.3	Very high	93.9	Very high	7 Å²	7	49.5 Å²	49.5	5%	0.047	28%	0.281	C	S	.	.	H	α-helix	trans	-60.9	-21.7	174.5	-58.5	0	0	0	0	113.1	W51 W58 N59 C245 R288	W51-C61 HydrophobicContact CB-CB 3.97Å; W58-C61 WeakPolarHBondContact O-CB 3.46Å; W58-C61 PolarHBondContact O-N 3.43Å; W58-C61 PolarHBondContact O-SG 2.8Å; W58-C61 VanDerWaalsContact O-SG 3.37Å; N59-C61 PolarHBondContact O-N 2.95Å; N59-C61 VanDerWaalsContact O-N 3.12Å; C61-C245 VanDerWaalsContact CA-SG 3.57Å; C61-C245 HydrophobicContact CB-CB 3.86Å; C61-C245 WeakPolarHBondContact CB-SG 3.36Å; C61-C245 WeakPolarHBondContact SG-CB 3.38Å; C61-C245 CovalentContact SG-SG 2.04Å; C61-C245 PolarHBondContact SG-SG 3.48Å; C61-R288 PolarHBondContact O-NH2 2.83Å; C61-R288 VanDerWaalsContact O-NH2 3.14Å
62	S	93.4	Very high	94	Very high	69 Å²	69	49.5 Å²	49.5	48%	0.483	28%	0.281	S	S	.	.	H	α-helix	trans	-110.2	-47.1	179.3	-179.3	0	0	0	0	113.1	N59 L60	N59-S62 PolarHBondContact O-N 2.99Å; L60-S62 PolarHBondContact O-N 2.74Å; L60-S62 VanDerWaalsContact O-N 3.15Å
63	V	95.3	Very high	94.1	Very high	76 Å²	76	52.9 Å²	52.9	46%	0.461	29%	0.294	S	S	.	.	H	α-helix	trans	-91.7	-13.1	-174.3	-56.3	0	0	0	0	113.9	N59	N59-V63 WeakPolarHBondContact O-CG2 3.5Å; N59-V63 PolarHBondContact O-N 3.12Å; N59-V63 VanDerWaalsContact OD1-CG1 3.31Å; N59-V63 WeakPolarHBondContact OD1-CG1 3.21Å; N59-V63 WeakPolarHBondContact OD1-CG2 3.26Å
64	G	96.1	Very high	94.1	Very high	12 Å²	12	48.8 Å²	48.8	12%	0.124	27%	0.274	C	S	.	.			trans	-57.6	143.1	-179.5	0	0	0	0	0	112.6	L60 E247	L60-G64 VanDerWaalsContact O-CA 3.31Å; L60-G64 WeakPolarHBondContact O-CA 3.36Å; L60-G64 PolarHBondContact O-N 3.29Å; G64-E247 WeakPolarHBondContact CA-OE1 3.4Å
65	K	97.1	Very high	94.2	Very high	138 Å²	138	49.9 Å²	49.9	60%	0.6	29%	0.285	S	S	*	.	S	Bend	trans	-104.4	-10.3	-179.4	-60.7	-57	-177.6	-174.3	0	113.3	E247 N294	K65-E247 PolarHBondContact N-OE1 2.9Å; K65-N294 WeakPolarHBondContact CA-ND2 3.46Å; K65-N294 VanDerWaalsContact O-CB 3.31Å; K65-N294 WeakPolarHBondContact O-CB 3.44Å; K65-N294 PolarHBondContact O-ND2 3.47Å
66	R	97.6	Very high	94.4	Very high	109 Å²	109	53.8 Å²	53.8	41%	0.411	30%	0.302	S	S	.	.	S	Bend	trans	-119.3	38.5	178.6	-53.3	-179.1	-69.5	162	4.8	110.8	G238 S239 E247 R296	R66-G238 CarbonylContact O-C 3.43Å; R66-G238 WeakPolarHBondContact O-CA 3.3Å; R66-S239 PolarHBondContact O-N 2.9Å; R66-S239 VanDerWaalsContact O-N 3.12Å; R66-E247 WeakPolarHBondContact CA-OE1 3.46Å; R66-E247 HydrophobicContact CB-CB 4.31Å; R66-E247 HydrophobicContact CB-CG 4.27Å; R66-E247 IonicContact CZ-OE2 2.88Å; R66-E247 VanDerWaalsContact N-CD 3.35Å; R66-E247 PolarHBondContact N-OE1 2.68Å; R66-E247 IonicContact NE-OE2 3.99Å; R66-E247 PolarHBondContact NE-OE2 2.84Å; R66-E247 PolarHBondContact NH2-O 3.14Å; R66-E247 IonicContact NH2-OE2 3.92Å; R66-R296 HydrophobicContact CG-CG 4.48Å; R66-R296 PolarHBondContact O-NH1 2.9Å
67	Q	98.4	Very high	94.6	Very high	4 Å²	4	49.2 Å²	49.2	2%	0.019	27%	0.268	C	S	.	.			trans	-72.5	149	-179.3	-67.6	-65.1	-62	0	0	112.5	L60 S239 C245 E247 Q291 R296	L60-Q67 PolarHBondContact O-NE2 2.8Å; L60-Q67 VanDerWaalsContact O-NE2 3.15Å; Q67-S239 WeakPolarHBondContact CA-OG 3.49Å; Q67-S239 PolarHBondContact OE1-OG 2.96Å; Q67-C245 PolarHBondContact NE2-O 2.72Å; Q67-E247 PolarHBondContact NE2-OE1 2.95Å; Q67-Q291 HydrophobicContact CB-CB 3.79Å; Q67-Q291 HydrophobicContact CB-CG 3.81Å; Q67-R296 PolarHBondContact O-NH1 3.02Å; Q67-R296 VanDerWaalsContact O-NH1 3.11Å; Q67-R296 PolarHBondContact O-NH2 3.08Å
68	S	98.7	Very high	94.8	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.264	C	S	.	.	S	Bend	trans	-122.5	157.5	176.7	-65.9	0	0	0	0	110.2	Y236 G238 S239 W251 R288	S68-Y236 WeakPolarHBondContact CB-OH 3.49Å; S68-Y236 WeakPolarHBondContact OG-CE2 3.23Å; S68-Y236 PolarHBondContact OG-OH 3.42Å; S68-G238 WeakPolarHBondContact OG-CA 3.43Å; S68-S239 WeakPolarHBondContact CB-O 3.49Å; S68-S239 PolarHBondContact N-OG 2.94Å; S68-S239 PolarHBondContact OG-N 3.39Å; S68-W251 PolarHBondContact OG-NE1 3.24Å; S68-R288 WeakPolarHBondContact O-CD 3.49Å; S68-R288 PolarHBondContact O-NH1 3.27Å
69	P	98.6	Very high	94.9	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.276	C	S	.	.			cis	-77.2	174	0.3	36.3	-40.1	0	0	0	112.2	E145 T241 R288 Q291	P69-E145 VanDerWaalsContact CB-C 3.44Å; P69-E145 HydrophobicContact CB-CB 3.85Å; P69-E145 VanDerWaalsContact CB-O 3.3Å; P69-E145 WeakPolarHBondContact CB-O 3.13Å; P69-E145 HydrophobicContact CG-CB 3.78Å; P69-E145 WeakPolarHBondContact CG-O 3.49Å; P69-T241 HydrophobicContact CB-CG2 4.47Å; P69-R288 WeakPolarHBondContact CG-O 3.47Å; P69-Q291 WeakPolarHBondContact O-CB 3.48Å; P69-Q291 PolarHBondContact O-N 3.39Å
70	V	98.6	Very high	94.9	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.262	C	S	.	.			trans	-130.8	160.4	175.3	-60.3	0	0	0	0	111.1	I72 L147 Y236 L293 R296	V70-I72 HydrophobicContact CG2-CD1 3.58Å; V70-I72 HydrophobicContact CG2-CG1 4.41Å; V70-L147 PolarHBondContact O-N 2.79Å; V70-Y236 HydrophobicContact CG1-CE2 4.18Å; V70-Y236 HydrophobicContact CG2-CD1 4.42Å; V70-Y236 HydrophobicContact CG2-CD2 4.5Å; V70-Y236 HydrophobicContact CG2-CE1 3.9Å; V70-Y236 HydrophobicContact CG2-CE2 4.01Å; V70-L293 HydrophobicContact CB-CD1 4.38Å; V70-L293 HydrophobicContact CG1-CD1 4.22Å; V70-L293 HydrophobicContact CG2-CD1 4.33Å; V70-R296 VanDerWaalsContact CG1-NH2 3.28Å
71	N	98.1	Very high	94.8	Very high	36 Å²	36	51.4 Å²	51.4	19%	0.193	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	122.3	163.1	178.7	39.6	0	0	0	109.7	E73 L147 N149 G150	N71-E73 WeakPolarHBondContact ND2-CG 3.45Å; N71-E73 PolarHBondContact ND2-OE1 3.26Å; N71-E73 PolarHBondContact O-N 2.95Å; N71-L147 HydrophobicContact CB-CB 4.19Å; N71-L147 WeakPolarHBondContact OD1-CB 3.4Å; N71-N149 PolarHBondContact OD1-N 3.24Å; N71-G150 PolarHBondContact OD1-N 2.87Å
72	I	96.2	Very high	94.8	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	105.6	176.6	-56.6	-64.8	0	0	0	108.9	V70 M77 L147 L148 N149 I234 Y236 L253 I298	V70-I72 HydrophobicContact CG2-CD1 3.58Å; V70-I72 HydrophobicContact CG2-CG1 4.41Å; I72-M77 HydrophobicContact CG2-CG 4.38Å; I72-M77 HydrophobicContact CG2-SD 3.77Å; I72-L147 PolarHBondContact N-O 2.76Å; I72-L148 HydrophobicContact CB-CD1 4.04Å; I72-L148 HydrophobicContact CG2-CD1 3.97Å; I72-N149 PolarHBondContact O-N 3.21Å; I72-N149 PolarHBondContact O-OD1 2.9Å; I72-I234 HydrophobicContact CG2-CD1 4.11Å; I72-I234 HydrophobicContact CG2-CG2 4.18Å; I72-Y236 HydrophobicContact CD1-CD1 4.27Å; I72-Y236 HydrophobicContact CD1-CE1 4.37Å; I72-L253 HydrophobicContact CG1-CD2 3.91Å; I72-I298 HydrophobicContact CD1-CD1 3.7Å; I72-I298 HydrophobicContact CD1-CG1 4.3Å; I72-I298 HydrophobicContact CD1-CG2 4.29Å; I72-I298 HydrophobicContact CG2-CG2 4.38Å
73	E	92.1	Very high	94.9	Very high	81 Å²	81	56.7 Å²	56.7	38%	0.379	29%	0.287	S	S	.	.			trans	-88.7	111.8	174.2	-68.8	176.6	-172.9	0	0	109.9	N71 S75 H76 N149	N71-E73 WeakPolarHBondContact ND2-CG 3.45Å; N71-E73 PolarHBondContact ND2-OE1 3.26Å; N71-E73 PolarHBondContact O-N 2.95Å; E73-S75 PolarHBondContact O-N 2.78Å; E73-H76 HydrophobicContact CB-CB 4.48Å; E73-H76 PolarHBondContact O-N 2.73Å; E73-H76 IonicContact OE2-CE1 3.07Å; E73-H76 PolarHBondContact OE2-CE1 2.79Å; E73-H76 IonicContact OE2-ND1 2.82Å; E73-H76 PolarHBondContact OE2-ND1 2.76Å; E73-N149 WeakPolarHBondContact CA-OD1 3.32Å
74	T	88.6	Confident	95	Very high	33 Å²	33	56.5 Å²	56.5	20%	0.202	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-68	-25.2	-169	58.1	0	0	0	0	112.9	H76 M77 L148 N149 L319	T74-H76 PolarHBondContact O-N 3.11Å; T74-M77 HydrophobicContact CG2-CE 3.87Å; T74-M77 HydrophobicContact CG2-SD 4.41Å; T74-L148 HydrophobicContact CG2-CD1 3.63Å; T74-L148 HydrophobicContact CG2-CG 4.26Å; T74-N149 WeakPolarHBondContact CG2-ND2 3.18Å; T74-N149 PolarHBondContact N-OD1 2.85Å; T74-N149 PolarHBondContact OG1-ND2 3.12Å; T74-N149 PolarHBondContact OG1-OD1 3.32Å; T74-L319 HydrophobicContact CG2-CD1 3.4Å; T74-L319 HydrophobicContact CG2-CD2 4.43Å
75	S	87.2	Confident	94.9	Very high	94 Å²	94	59.2 Å²	59.2	66%	0.657	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-67	-21	174.3	49.8	0	0	0	0	113.6	E73	E73-S75 PolarHBondContact O-N 2.78Å
76	H	88.2	Confident	94.9	Very high	119 Å²	119	54.1 Å²	54.1	55%	0.551	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-105.1	4.2	-176.3	-61.2	157.3	0	0	0	113.1	E73 T74	E73-H76 HydrophobicContact CB-CB 4.48Å; E73-H76 PolarHBondContact O-N 2.73Å; E73-H76 IonicContact OE2-CE1 3.07Å; E73-H76 PolarHBondContact OE2-CE1 2.79Å; E73-H76 IonicContact OE2-ND1 2.82Å; E73-H76 PolarHBondContact OE2-ND1 2.76Å; T74-H76 PolarHBondContact O-N 3.11Å
77	M	92.6	Very high	94.9	Very high	21 Å²	21	55.6 Å²	55.6	10%	0.103	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-75.7	138.4	178.3	-61	-172.9	-54	0	0	111.1	I72 T74 I234 I298 T300 F304 L319	I72-M77 HydrophobicContact CG2-CG 4.38Å; I72-M77 HydrophobicContact CG2-SD 3.77Å; T74-M77 HydrophobicContact CG2-CE 3.87Å; T74-M77 HydrophobicContact CG2-SD 4.41Å; M77-I234 HydrophobicContact CE-CD1 4.37Å; M77-I234 HydrophobicContact SD-CD1 3.59Å; M77-I234 VanDerWaalsContact SD-CD1 3.59Å; M77-I234 HydrophobicContact SD-CG1 3.75Å; M77-I234 HydrophobicContact SD-CG2 3.95Å; M77-I298 HydrophobicContact CG-CB 4.45Å; M77-I298 HydrophobicContact CG-CG2 3.79Å; M77-I298 HydrophobicContact SD-CG2 4.31Å; M77-T300 HydrophobicContact CB-CG2 4.01Å; M77-T300 HydrophobicContact CE-CG2 4.44Å; M77-F304 HydrophobicContact CE-CD2 4.49Å; M77-F304 HydrophobicContact CE-CE2 3.43Å; M77-F304 VanDerWaalsContact CE-CE2 3.43Å; M77-F304 HydrophobicContact CE-CZ 3.55Å; M77-L319 HydrophobicContact CE-CD1 4.44Å; M77-L319 HydrophobicContact CE-CD2 4.4Å
78	I	94.6	Very high	94.8	Very high	89 Å²	89	57.6 Å²	57.6	46%	0.456	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	121.8	178.5	-58.7	171	0	0	0	108.2	D80 C297 I298 R299 T300	I78-D80 PolarHBondContact O-N 2.74Å; I78-C297 HydrophobicContact CD1-CB 4.19Å; I78-I298 PolarHBondContact N-O 3.4Å; I78-R299 CarbonylContact O-C 3.58Å; I78-R299 VanDerWaalsContact O-CA 3.28Å; I78-R299 WeakPolarHBondContact O-CA 3.46Å; I78-T300 PolarHBondContact O-N 2.88Å
79	F	95.1	Very high	94.7	Very high	83 Å²	83	62.1 Å²	62.1	36%	0.364	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	124.5	170.7	173.4	-116.4	0	0	0	109.9	P81 T300 I302 N303	F79-P81 HydrophobicContact CE1-CB 3.85Å; F79-P81 HydrophobicContact CE1-CG 4.26Å; F79-P81 HydrophobicContact CZ-CB 3.8Å; F79-T300 CarbonylContact C-O 3.46Å; F79-T300 WeakPolarHBondContact CA-O 3.21Å; F79-I302 WeakPolarHBondContact CD2-O 3.15Å; F79-N303 HydrophobicContact CD1-CB 4.46Å; F79-N303 HydrophobicContact CD2-CB 3.99Å; F79-N303 HydrophobicContact CE1-CB 4.26Å; F79-N303 HydrophobicContact CE2-CB 3.77Å; F79-N303 HydrophobicContact CG-CB 4.33Å; F79-N303 HydrophobicContact CZ-CB 3.91Å
80	D	95.4	Very high	94.5	Very high	24 Å²	24	62.6 Å²	62.6	13%	0.128	33%	0.328	C	S	.	.			trans	-120.9	103.7	177.6	-177.4	-10	0	0	0	109.1	I78 F82 L83 R299 T300	I78-D80 PolarHBondContact O-N 2.74Å; D80-F82 PolarHBondContact O-N 3.36Å; D80-F82 WeakPolarHBondContact OD1-CB 3.36Å; D80-F82 PolarHBondContact OD1-N 2.7Å; D80-L83 HydrophobicContact CB-CD1 3.85Å; D80-L83 HydrophobicContact CB-CG 3.89Å; D80-L83 PolarHBondContact O-N 2.88Å; D80-R299 HydrophobicContact CB-CB 4.26Å; D80-R299 WeakPolarHBondContact OD2-CD 3.47Å; D80-R299 IonicContact OD2-CZ 3.56Å; D80-R299 IonicContact OD2-NE 2.74Å; D80-R299 IonicContact OD2-NH1 3.73Å; D80-R299 PolarHBondContact OD2-NH1 3.4Å; D80-T300 PolarHBondContact N-O 3.31Å
81	P	92.9	Very high	94	Very high	85 Å²	85	65.2 Å²	65.2	55%	0.552	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-11.3	-178.6	29.8	-35	0	0	0	113.5	F79 L83	F79-P81 HydrophobicContact CE1-CB 3.85Å; F79-P81 HydrophobicContact CE1-CG 4.26Å; F79-P81 HydrophobicContact CZ-CB 3.8Å; P81-L83 VanDerWaalsContact C-N 3.34Å
82	F	95.3	Very high	93.3	Very high	176 Å²	176	67 Å²	67	77%	0.772	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-5.6	-179.7	-58.3	-73.3	0	0	0	112.9	D80 T84	D80-F82 PolarHBondContact O-N 3.36Å; D80-F82 WeakPolarHBondContact OD1-CB 3.36Å; D80-F82 PolarHBondContact OD1-N 2.7Å; F82-T84 PolarHBondContact O-N 3.43Å
83	L	96.8	Very high	92.9	Very high	11 Å²	11	75.7 Å²	75.7	6%	0.058	41%	0.414	C	S	.	.			trans	-68.6	98.3	171.4	-71.8	177.3	0	0	0	110.5	D80 P81 P122 F233 T235 R299 N301	D80-L83 HydrophobicContact CB-CD1 3.85Å; D80-L83 HydrophobicContact CB-CG 3.89Å; D80-L83 PolarHBondContact O-N 2.88Å; P81-L83 VanDerWaalsContact C-N 3.34Å; L83-P122 HydrophobicContact CD2-CB 3.99Å; L83-F233 HydrophobicContact CB-CE2 4.47Å; L83-F233 HydrophobicContact CB-CZ 3.96Å; L83-F233 HydrophobicContact CD1-CE2 4.04Å; L83-F233 HydrophobicContact CD1-CZ 4.35Å; L83-F233 HydrophobicContact CD2-CE2 4.26Å; L83-F233 HydrophobicContact CD2-CZ 4.34Å; L83-F233 HydrophobicContact CG-CE2 4.5Å; L83-F233 HydrophobicContact CG-CZ 4.45Å; L83-T235 HydrophobicContact CD1-CG2 3.94Å; L83-T235 HydrophobicContact CD2-CG2 4.08Å; L83-R299 HydrophobicContact CD1-CB 4.23Å; L83-N301 HydrophobicContact CB-CB 3.84Å; L83-N301 HydrophobicContact CD1-CB 4.3Å
84	T	96	Very high	93	Very high	71 Å²	71	78.3 Å²	78.3	44%	0.436	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-67.5	161.3	177.3	61.9	0	0	0	0	112	F82 G120 G121	F82-T84 PolarHBondContact O-N 3.43Å; T84-G120 WeakPolarHBondContact OG1-CA 3.3Å; T84-G121 WeakPolarHBondContact O-CA 3.46Å; T84-G121 PolarHBondContact O-N 3.06Å; T84-G121 PolarHBondContact OG1-N 3.04Å
85	P	95.6	Very high	93.3	Very high	69 Å²	69	76.9 Å²	76.9	45%	0.448	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-59.5	142.9	173	-24.2	34.8	0	0	0	112.1
86	I	97.1	Very high	93.7	Very high	31 Å²	31	72.6 Å²	72.6	16%	0.159	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-71	131.4	171	-60	162.4	0	0	0	108.1	I118 S119 M123 F233 I252 M254	I86-I118 HydrophobicContact CG2-CB 4.47Å; I86-S119 WeakPolarHBondContact CA-O 3.15Å; I86-M123 HydrophobicContact CG2-CE 4.33Å; I86-F233 HydrophobicContact CD1-CD1 3.73Å; I86-F233 HydrophobicContact CD1-CE1 4.01Å; I86-F233 HydrophobicContact CD1-CG 4.07Å; I86-F233 HydrophobicContact CG1-CD1 4.17Å; I86-F233 HydrophobicContact CG1-CE1 3.94Å; I86-F233 HydrophobicContact CG1-CZ 4.44Å; I86-I252 HydrophobicContact CD1-CD1 4.1Å; I86-I252 HydrophobicContact CD1-CG2 3.43Å; I86-I252 VanDerWaalsContact CD1-CG2 3.43Å; I86-I252 HydrophobicContact CG1-CD1 4.5Å; I86-M254 HydrophobicContact CD1-SD 3.93Å
87	K	96.8	Very high	94.2	Very high	140 Å²	140	67 Å²	67	61%	0.609	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.5	122.2	178	-62.1	179.2	-176.7	177.4	0	108.7	I118 S119	K87-I118 CarbonylContact O-C 3.53Å; K87-I118 VanDerWaalsContact O-CA 3.26Å; K87-I118 WeakPolarHBondContact O-CA 3.24Å; K87-S119 PolarHBondContact N-O 2.93Å; K87-S119 PolarHBondContact O-N 2.91Å
88	L	96.9	Very high	94.4	Very high	47 Å²	47	67.3 Å²	67.3	25%	0.246	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	131.3	173.7	177.7	63.3	0	0	0	109.2	T90 V116 I118 I223 E224 Y227	L88-T90 HydrophobicContact CD1-CG2 4.29Å; L88-T90 HydrophobicContact CD2-CG2 4Å; L88-T90 HydrophobicContact CG-CG2 3.89Å; L88-V116 HydrophobicContact CD1-CG1 3.68Å; L88-I118 HydrophobicContact CD1-CG2 3.77Å; L88-I223 HydrophobicContact CD2-CG2 4.5Å; L88-E224 HydrophobicContact CD2-CB 4.27Å; L88-E224 HydrophobicContact CD2-CG 3.58Å; L88-E224 HydrophobicContact CG-CG 4.42Å; L88-Y227 HydrophobicContact CD1-CE2 4.18Å; L88-Y227 HydrophobicContact CD2-CD2 3.66Å; L88-Y227 HydrophobicContact CD2-CE2 3.67Å
89	N	95.9	Very high	94.6	Very high	94 Å²	94	63 Å²	63	50%	0.503	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	108.4	172.7	-177.7	1.8	0	0	0	109.2	G91 V116 N117	N89-G91 PolarHBondContact OD1-N 2.77Å; N89-V116 WeakPolarHBondContact O-CA 3.4Å; N89-N117 PolarHBondContact N-O 3.31Å; N89-N117 PolarHBondContact O-N 3.04Å
90	T	93.6	Very high	94.8	Very high	11 Å²	11	63 Å²	63	7%	0.067	34%	0.34	C	S	.	.			trans	-99.4	-1.5	177	59.4	0	0	0	0	112.9	L88 G92 V116 I223 E224	L88-T90 HydrophobicContact CD1-CG2 4.29Å; L88-T90 HydrophobicContact CD2-CG2 4Å; L88-T90 HydrophobicContact CG-CG2 3.89Å; T90-G92 PolarHBondContact O-N 3.04Å; T90-G92 PolarHBondContact OG1-N 3.05Å; T90-V116 HydrophobicContact CG2-CG1 4.39Å; T90-I223 HydrophobicContact CG2-CB 4.21Å; T90-E224 HydrophobicContact CG2-CG 3.87Å; T90-E224 PolarHBondContact OG1-OE1 2.81Å
91	G	88.5	Confident	94.9	Very high	55 Å²	55	61.9 Å²	61.9	57%	0.567	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.9	12.3	-166.6	0	0	0	0	0	114	N89 R93	N89-G91 PolarHBondContact OD1-N 2.77Å; G91-R93 PolarHBondContact O-N 2.72Å
92	G	83.8	Confident	95.1	Very high	73 Å²	73	59.3 Å²	59.3	75%	0.753	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.8	17.4	179.6	0	0	0	0	0	114.4	T90	T90-G92 PolarHBondContact O-N 3.04Å; T90-G92 PolarHBondContact OG1-N 3.05Å
93	R	87.4	Confident	95	Very high	182 Å²	182	51.2 Å²	51.2	69%	0.687	28%	0.283	S	S	*	.			trans	-117.5	143.9	-175	-64.7	177.3	72	177.9	0.8	110.6	G91	G91-R93 PolarHBondContact O-N 2.72Å
94	K	93.8	Very high	94.9	Very high	136 Å²	136	52.3 Å²	52.3	59%	0.591	29%	0.286	S	S	*	.			trans	-68.5	144.7	164	-61.8	-178.7	174.7	-176	0	109.3	L221	K94-L221 CarbonylContact C-O 3.44Å; K94-L221 VanDerWaalsContact CA-O 3.24Å; K94-L221 WeakPolarHBondContact CA-O 3.47Å
95	V	95.7	Very high	95	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.018	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	151.8	-172.8	-56.8	0	0	0	0	111.9	L110 H114 V116 G220 L221 I223	V95-L110 HydrophobicContact CG2-CD1 4.02Å; V95-L110 HydrophobicContact CG2-CD2 3.77Å; V95-H114 HydrophobicContact CB-CB 3.88Å; V95-H114 HydrophobicContact CG1-CB 3.7Å; V95-V116 HydrophobicContact CG1-CG2 4.25Å; V95-G220 PolarHBondContact O-N 3.24Å; V95-G220 VanDerWaalsContact O-N 3.1Å; V95-L221 HydrophobicContact CG2-CB 3.94Å; V95-L221 PolarHBondContact N-O 2.86Å; V95-L221 WeakPolarHBondContact O-CB 3.2Å; V95-L221 PolarHBondContact O-N 3.09Å; V95-I223 HydrophobicContact CG2-CD1 3.62Å; V95-I223 HydrophobicContact CG2-CG1 3.72Å
96	G	96.6	Very high	95.1	Very high	5 Å²	5	46.2 Å²	46.2	5%	0.052	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	159	163.1	0	0	0	0	0	112.3	L110 D111 H114 L218	G96-L110 WeakPolarHBondContact O-CA 3.31Å; G96-D111 VanDerWaalsContact C-OD2 3.24Å; G96-D111 WeakPolarHBondContact CA-OD2 2.96Å; G96-D111 PolarHBondContact O-N 3.19Å; G96-D111 VanDerWaalsContact O-N 3.1Å; G96-H114 PolarHBondContact N-CD2 3.38Å; G96-H114 PolarHBondContact N-NE2 2.99Å; G96-H114 PolarHBondContact O-CD2 3.12Å; G96-L218 CarbonylContact C-O 3.54Å; G96-L218 VanDerWaalsContact CA-O 3.27Å; G96-L218 WeakPolarHBondContact CA-O 3.36Å
97	G	97.1	Very high	95.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.8	160.7	173.7	0	0	0	0	0	111.9	R109 L218	G97-R109 CarbonylContact C-O 3.56Å; G97-R109 WeakPolarHBondContact CA-O 3.49Å; G97-L218 PolarHBondContact N-O 2.91Å; G97-L218 WeakPolarHBondContact O-CA 3.14Å; G97-L218 PolarHBondContact O-N 2.84Å; G97-L218 VanDerWaalsContact O-O 3.08Å
98	T	98.3	Very high	95.2	Very high	28 Å²	28	38.1 Å²	38.1	17%	0.172	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	125.8	177.9	-55.6	0	0	0	0	110	Y100 L108 R109 A215	T98-Y100 WeakPolarHBondContact CB-OH 3.45Å; T98-Y100 HydrophobicContact CG2-CD1 4.22Å; T98-Y100 HydrophobicContact CG2-CD2 4.19Å; T98-Y100 HydrophobicContact CG2-CE1 3.6Å; T98-Y100 HydrophobicContact CG2-CE2 3.58Å; T98-Y100 HydrophobicContact CG2-CG 4.49Å; T98-Y100 WeakPolarHBondContact CG2-OH 3.4Å; T98-Y100 VanDerWaalsContact O-CD2 3.26Å; T98-Y100 WeakPolarHBondContact O-CD2 3.41Å; T98-Y100 WeakPolarHBondContact O-CE2 3.08Å; T98-L108 WeakPolarHBondContact O-CA 3.46Å; T98-R109 PolarHBondContact N-O 3.15Å; T98-R109 PolarHBondContact O-N 3.14Å; T98-A215 HydrophobicContact CG2-CB 3.96Å
99	M	98.1	Very high	95.3	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	136.9	170.6	-169	175.3	58.9	0	0	109.5	V106 S107 L108 M200 T205 I209 A215 Y216 L218	M99-V106 HydrophobicContact CG-CG1 3.81Å; M99-V106 HydrophobicContact SD-CG1 3.9Å; M99-S107 CarbonylContact C-O 3.42Å; M99-S107 WeakPolarHBondContact CA-O 3.29Å; M99-L108 HydrophobicContact CB-CD1 4.32Å; M99-M200 HydrophobicContact CG-CE 4.3Å; M99-M200 HydrophobicContact SD-CE 3.76Å; M99-M200 HydrophobicContact SD-CG 3.82Å; M99-T205 HydrophobicContact CE-CG2 3.32Å; M99-T205 HydrophobicContact SD-CG2 4.48Å; M99-I209 HydrophobicContact CE-CB 4.33Å; M99-I209 HydrophobicContact CE-CD1 3.42Å; M99-I209 VanDerWaalsContact CE-CD1 3.42Å; M99-I209 HydrophobicContact CE-CG1 3.6Å; M99-I209 HydrophobicContact CE-CG2 3.81Å; M99-I209 HydrophobicContact CG-CD1 3.99Å; M99-I209 HydrophobicContact CG-CG2 4.49Å; M99-I209 HydrophobicContact SD-CD1 3.72Å; M99-A215 CarbonylContact O-C 3.51Å; M99-A215 VanDerWaalsContact O-CA 3.27Å; M99-A215 WeakPolarHBondContact O-CA 3.42Å; M99-Y216 PolarHBondContact N-O 2.96Å; M99-Y216 PolarHBondContact O-N 3.5Å; M99-L218 HydrophobicContact CB-CD1 4.06Å; M99-L218 HydrophobicContact SD-CD1 4.29Å
100	Y	98.3	Very high	95.4	Very high	82 Å²	82	37.7 Å²	37.7	32%	0.322	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	140.5	-175.2	-60.3	-87.4	0	0	0	110.4	T98 V106 S107 R109 D214 A215	T98-Y100 WeakPolarHBondContact CB-OH 3.45Å; T98-Y100 HydrophobicContact CG2-CD1 4.22Å; T98-Y100 HydrophobicContact CG2-CD2 4.19Å; T98-Y100 HydrophobicContact CG2-CE1 3.6Å; T98-Y100 HydrophobicContact CG2-CE2 3.58Å; T98-Y100 HydrophobicContact CG2-CG 4.49Å; T98-Y100 WeakPolarHBondContact CG2-OH 3.4Å; T98-Y100 VanDerWaalsContact O-CD2 3.26Å; T98-Y100 WeakPolarHBondContact O-CD2 3.41Å; T98-Y100 WeakPolarHBondContact O-CE2 3.08Å; Y100-V106 WeakPolarHBondContact O-CA 3.3Å; Y100-S107 PolarHBondContact N-O 3.15Å; Y100-S107 PolarHBondContact O-N 3.49Å; Y100-R109 HydrophobicContact CE2-CB 4.27Å; Y100-R109 HydrophobicContact CE2-CG 4.36Å; Y100-D214 WeakPolarHBondContact CA-O 3.25Å; Y100-A215 HydrophobicContact CD1-CB 3.61Å; Y100-A215 HydrophobicContact CE1-CB 3.69Å
101	N	98.4	Very high	95.4	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	107.3	155.5	175.8	-24	0	0	0	108	G103 I209 T210 Y211 K212 N213 D214 S272 M283	N101-G103 PolarHBondContact O-N 2.73Å; N101-G103 WeakPolarHBondContact OD1-CA 3.15Å; N101-G103 PolarHBondContact OD1-N 2.99Å; N101-I209 HydrophobicContact CB-CB 4.1Å; N101-I209 WeakPolarHBondContact CB-O 3.39Å; N101-I209 PolarHBondContact ND2-O 2.89Å; N101-T210 PolarHBondContact ND2-O 2.87Å; N101-Y211 VanDerWaalsContact CB-O 3.25Å; N101-Y211 WeakPolarHBondContact CB-O 3.34Å; N101-Y211 VanDerWaalsContact CG-C 3.44Å; N101-Y211 PolarHBondContact ND2-O 2.75Å; N101-K212 WeakPolarHBondContact OD1-CA 3.44Å; N101-N213 WeakPolarHBondContact O-CA 3.41Å; N101-N213 PolarHBondContact O-N 3.09Å; N101-D214 PolarHBondContact N-O 3.5Å; N101-S272 PolarHBondContact ND2-O 3.24Å; N101-S272 PolarHBondContact OD1-O 2.94Å; N101-M283 HydrophobicContact CB-CE 4.23Å; N101-M283 WeakPolarHBondContact ND2-CE 3.37Å; N101-M283 WeakPolarHBondContact OD1-CE 3.08Å
102	T	96.3	Very high	95.6	Very high	30 Å²	30	46.7 Å²	46.7	18%	0.184	23%	0.225	C	C	.	.			trans	-80.3	0.6	-177.4	69.7	0	0	0	0	113.3	R104 H105	T102-R104 PolarHBondContact O-N 3.49Å; T102-R104 PolarHBondContact OG1-N 2.91Å; T102-H105 PolarHBondContact N-O 2.93Å; T102-H105 VanDerWaalsContact N-O 3.1Å; T102-H105 PolarHBondContact OG1-N 3.12Å; T102-H105 PolarHBondContact OG1-ND1 2.99Å; T102-H105 PolarHBondContact OG1-O 3.01Å
103	G	94.8	Very high	95.9	Very high	6 Å²	6	50.6 Å²	50.6	6%	0.062	22%	0.224	C	C	.	.	S	Bend	trans	74.4	-3.4	-164.5	0	0	0	0	0	114	N101 Q273	N101-G103 PolarHBondContact O-N 2.73Å; N101-G103 WeakPolarHBondContact OD1-CA 3.15Å; N101-G103 PolarHBondContact OD1-N 2.99Å; G103-Q273 WeakPolarHBondContact O-CA 3.23Å; G103-Q273 WeakPolarHBondContact O-CB 3.41Å; G103-Q273 WeakPolarHBondContact O-CG 3.45Å
104	R	94.4	Very high	96.2	Very high	35 Å²	35	43.7 Å²	43.7	13%	0.132	20%	0.199	C	C	.	.	S	Bend	trans	-129.4	-34.7	-177.9	-77.9	170.7	-91	-146.7	6.9	112.6	W34 Y36 T102 N286	W34-R104 HydrophobicContact CH2-CB 4.39Å; W34-R104 HydrophobicContact CH2-CG 4.44Å; W34-R104 HydrophobicContact CZ3-CG 4.49Å; W34-R104 PolarHBondContact O-NH1 2.83Å; Y36-R104 HydrophobicContact CD2-CB 4.37Å; Y36-R104 HydrophobicContact CE2-CB 4.1Å; T102-R104 PolarHBondContact O-N 3.49Å; T102-R104 PolarHBondContact OG1-N 2.91Å; R104-N286 WeakPolarHBondContact O-CB 3.25Å; R104-N286 PolarHBondContact O-ND2 3.22Å; R104-N286 VanDerWaalsContact O-ND2 3.14Å
105	H	96.9	Very high	96.2	Very high	11 Å²	11	41.2 Å²	41.2	5%	0.051	19%	0.192	C	C	.	.	S	Bend	trans	-156.2	163.4	178.8	57.2	-93.3	0	0	0	110	T102 E131 R133 M283	T102-H105 PolarHBondContact N-O 2.93Å; T102-H105 VanDerWaalsContact N-O 3.1Å; T102-H105 PolarHBondContact OG1-N 3.12Å; T102-H105 PolarHBondContact OG1-ND1 2.99Å; T102-H105 PolarHBondContact OG1-O 3.01Å; H105-E131 IonicContact CD2-OE1 3.29Å; H105-E131 IonicContact NE2-OE1 3.65Å; H105-E131 PolarHBondContact NE2-OE1 2.97Å; H105-R133 HydrophobicContact CB-CG 4.12Å; H105-R133 VanDerWaalsContact CD2-CG 3.48Å; H105-R133 WeakPolarHBondContact CD2-CG 3.28Å; H105-R133 PolarHBondContact NE2-NE 2.63Å; H105-M283 VanDerWaalsContact CA-SD 3.54Å
106	V	98.3	Very high	96.3	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	128.1	166.1	-179.1	0	0	0	0	108	M99 Y100 R133 L134 F136 M200 I209 L268 L271 M283	M99-V106 HydrophobicContact CG-CG1 3.81Å; M99-V106 HydrophobicContact SD-CG1 3.9Å; Y100-V106 WeakPolarHBondContact O-CA 3.3Å; V106-R133 WeakPolarHBondContact O-CA 3.03Å; V106-L134 HydrophobicContact CB-CB 4.19Å; V106-L134 HydrophobicContact CB-CD1 4.15Å; V106-L134 HydrophobicContact CB-CG 4.3Å; V106-L134 HydrophobicContact CG1-CD1 4.19Å; V106-L134 PolarHBondContact O-N 2.79Å; V106-F136 HydrophobicContact CG2-CE1 4.35Å; V106-M200 HydrophobicContact CG1-CE 3.75Å; V106-I209 HydrophobicContact CG1-CD1 3.86Å; V106-I209 HydrophobicContact CG2-CD1 4.07Å; V106-L268 HydrophobicContact CG2-CD2 4.23Å; V106-L271 HydrophobicContact CG2-CD1 3.3Å; V106-M283 HydrophobicContact CG2-SD 3.91Å
107	S	98.2	Very high	96.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	127.5	179.5	163.9	0	0	0	0	109.4	M99 Y100 E131 I132	M99-S107 CarbonylContact C-O 3.42Å; M99-S107 WeakPolarHBondContact CA-O 3.29Å; Y100-S107 PolarHBondContact N-O 3.15Å; Y100-S107 PolarHBondContact O-N 3.49Å; S107-E131 WeakPolarHBondContact OG-CG 3.39Å; S107-E131 PolarHBondContact OG-OE1 2.94Å; S107-I132 CarbonylContact C-O 3.58Å; S107-I132 WeakPolarHBondContact CA-O 3.49Å
108	L	98.5	Very high	96.4	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	123.6	168.5	169.6	66.4	0	0	0	108.8	T98 M99 I132 F196 M200 L218 L221	T98-L108 WeakPolarHBondContact O-CA 3.46Å; M99-L108 HydrophobicContact CB-CD1 4.32Å; L108-I132 HydrophobicContact CB-CB 4.25Å; L108-I132 HydrophobicContact CD2-CD1 4.14Å; L108-I132 PolarHBondContact N-O 2.9Å; L108-I132 PolarHBondContact O-N 2.8Å; L108-F196 HydrophobicContact CD2-CZ 3.77Å; L108-M200 HydrophobicContact CB-CE 4.16Å; L108-M200 HydrophobicContact CD2-SD 4.37Å; L108-L218 HydrophobicContact CD1-CD1 4.31Å; L108-L221 HydrophobicContact CD1-CD1 4.14Å; L108-L221 HydrophobicContact CD2-CD1 3.81Å
109	R	98.4	Very high	96.4	Very high	107 Å²	107	42.5 Å²	42.5	40%	0.404	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	128.9	176.9	-62.8	-178.9	178.5	-178.1	-5.5	109.2	G97 T98 Y100 E131	G97-R109 CarbonylContact C-O 3.56Å; G97-R109 WeakPolarHBondContact CA-O 3.49Å; T98-R109 PolarHBondContact N-O 3.15Å; T98-R109 PolarHBondContact O-N 3.14Å; Y100-R109 HydrophobicContact CE2-CB 4.27Å; Y100-R109 HydrophobicContact CE2-CG 4.36Å; R109-E131 HydrophobicContact CG-CG 4.44Å; R109-E131 IonicContact NH2-OE2 3.58Å
110	L	97.1	Very high	96.4	Very high	26 Å²	26	43.2 Å²	43.2	14%	0.136	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	154.1	-179.5	-56.5	-171.4	0	0	0	111.1	V95 G96 H114 V116 L129 I223	V95-L110 HydrophobicContact CG2-CD1 4.02Å; V95-L110 HydrophobicContact CG2-CD2 3.77Å; G96-L110 WeakPolarHBondContact O-CA 3.31Å; L110-H114 HydrophobicContact CB-CB 4.42Å; L110-V116 HydrophobicContact CD1-CB 4.23Å; L110-V116 HydrophobicContact CD1-CG2 3.66Å; L110-L129 HydrophobicContact CD1-CD2 3.73Å; L110-L129 HydrophobicContact CG-CD2 4.3Å; L110-I223 HydrophobicContact CD1-CD1 4.27Å; L110-I223 HydrophobicContact CD1-CG1 4.26Å; L110-I223 HydrophobicContact CD2-CD1 4.19Å
111	D	95.6	Very high	96.3	Very high	50 Å²	50	39.7 Å²	39.7	27%	0.267	20%	0.196	S	C	.	.			trans	-63.4	142.7	171.6	-57.5	-39	0	0	0	109.7	G96 E113 H114	G96-D111 VanDerWaalsContact C-OD2 3.24Å; G96-D111 WeakPolarHBondContact CA-OD2 2.96Å; G96-D111 PolarHBondContact O-N 3.19Å; G96-D111 VanDerWaalsContact O-N 3.1Å; D111-E113 HydrophobicContact CB-CG 4.19Å; D111-E113 PolarHBondContact O-N 3.41Å; D111-H114 WeakPolarHBondContact O-CB 3.31Å; D111-H114 PolarHBondContact O-N 3Å
112	K	90.9	Very high	96.2	Very high	205 Å²	205	40.8 Å²	40.8	89%	0.891	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-22.1	-169.5	-67.7	-173.8	177.4	-178.4	0	114.6	H114	K112-H114 VanDerWaalsContact C-N 3.31Å
113	E	91.8	Very high	96.2	Very high	154 Å²	154	40.5 Å²	40.5	72%	0.72	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-19.5	175.4	62.2	-154.9	-127.2	0	0	113.7	D111 L115	D111-E113 HydrophobicContact CB-CG 4.19Å; D111-E113 PolarHBondContact O-N 3.41Å; E113-L115 PolarHBondContact O-N 3.21Å
114	H	92.9	Very high	96.2	Very high	37 Å²	37	46 Å²	46	17%	0.171	23%	0.233	C	C	.	.			trans	-90.2	94.2	-179.3	-65.1	-44	0	0	0	111.1	V95 G96 L110 D111 K112 V116	V95-H114 HydrophobicContact CB-CB 3.88Å; V95-H114 HydrophobicContact CG1-CB 3.7Å; G96-H114 PolarHBondContact N-CD2 3.38Å; G96-H114 PolarHBondContact N-NE2 2.99Å; G96-H114 PolarHBondContact O-CD2 3.12Å; L110-H114 HydrophobicContact CB-CB 4.42Å; D111-H114 WeakPolarHBondContact O-CB 3.31Å; D111-H114 PolarHBondContact O-N 3Å; K112-H114 VanDerWaalsContact C-N 3.31Å; H114-V116 PolarHBondContact O-N 2.94Å
115	L	94.6	Very high	96.4	Very high	84 Å²	84	47.9 Å²	47.9	44%	0.44	24%	0.24	S	C	.	.			trans	-85.5	102.5	-179.7	-51	-172.9	0	0	0	110.2	E113	E113-L115 PolarHBondContact O-N 3.21Å
116	V	97.1	Very high	96.4	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.006	25%	0.245	C	C	.	.			trans	-109.9	117.8	174.9	179.5	0	0	0	0	108.8	L88 N89 T90 V95 L110 H114 R128 L129 I223	L88-V116 HydrophobicContact CD1-CG1 3.68Å; N89-V116 WeakPolarHBondContact O-CA 3.4Å; T90-V116 HydrophobicContact CG2-CG1 4.39Å; V95-V116 HydrophobicContact CG1-CG2 4.25Å; L110-V116 HydrophobicContact CD1-CB 4.23Å; L110-V116 HydrophobicContact CD1-CG2 3.66Å; H114-V116 PolarHBondContact O-N 2.94Å; V116-R128 WeakPolarHBondContact O-CA 3.16Å; V116-L129 HydrophobicContact CB-CB 4.1Å; V116-L129 HydrophobicContact CB-CD2 4.28Å; V116-L129 HydrophobicContact CG1-CB 4.28Å; V116-L129 HydrophobicContact CG1-CD2 4.17Å; V116-L129 PolarHBondContact O-N 2.74Å; V116-I223 HydrophobicContact CG1-CB 4.39Å; V116-I223 HydrophobicContact CG1-CG1 4.47Å; V116-I223 HydrophobicContact CG1-CG2 4.05Å; V116-I223 HydrophobicContact CG2-CG1 4.09Å
117	N	97.8	Very high	96.4	Very high	19 Å²	19	48.5 Å²	48.5	10%	0.102	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	149.7	-174.3	-53.8	-40.4	0	0	0	111.7	N89 H127 R128	N89-N117 PolarHBondContact N-O 3.31Å; N89-N117 PolarHBondContact O-N 3.04Å; N117-H127 CarbonylContact C-O 3.37Å; N117-H127 WeakPolarHBondContact CA-O 3.27Å; N117-R128 WeakPolarHBondContact OD1-CA 3.24Å; N117-R128 WeakPolarHBondContact OD1-CB 3.04Å; N117-R128 WeakPolarHBondContact OD1-CG 3.38Å; N117-R128 PolarHBondContact OD1-NE 2.77Å; N117-R128 VanDerWaalsContact OD1-NE 3.14Å
118	I	98.3	Very high	96.4	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	147	171.6	62	169.3	0	0	0	111.3	I86 K87 L88 M123 S126 H127 H161 V181 V183	I86-I118 HydrophobicContact CG2-CB 4.47Å; K87-I118 CarbonylContact O-C 3.53Å; K87-I118 VanDerWaalsContact O-CA 3.26Å; K87-I118 WeakPolarHBondContact O-CA 3.24Å; L88-I118 HydrophobicContact CD1-CG2 3.77Å; I118-M123 HydrophobicContact CB-CE 4.29Å; I118-M123 HydrophobicContact CD1-CE 4.02Å; I118-M123 HydrophobicContact CD1-SD 3.77Å; I118-M123 HydrophobicContact CG1-CE 4.11Å; I118-M123 HydrophobicContact CG1-SD 3.88Å; I118-S126 WeakPolarHBondContact O-CA 3.39Å; I118-H127 HydrophobicContact CG1-CB 4.04Å; I118-H127 PolarHBondContact N-O 3.48Å; I118-H127 PolarHBondContact O-N 3Å; I118-H161 HydrophobicContact CD1-CB 4.23Å; I118-H161 HydrophobicContact CG1-CB 4.36Å; I118-V181 HydrophobicContact CD1-CB 4.41Å; I118-V181 HydrophobicContact CD1-CG1 3.79Å; I118-V183 HydrophobicContact CD1-CG2 3.89Å
119	S	98.1	Very high	96.4	Very high	43 Å²	43	51.8 Å²	51.8	30%	0.301	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	173.7	172.8	62.1	0	0	0	0	111.5	I86 K87 M123	I86-S119 WeakPolarHBondContact CA-O 3.15Å; K87-S119 PolarHBondContact N-O 2.93Å; K87-S119 PolarHBondContact O-N 2.91Å; S119-M123 VanDerWaalsContact C-CE 3.43Å; S119-M123 WeakPolarHBondContact O-CE 3.35Å
120	G	97.3	Very high	96.4	Very high	15 Å²	15	49.7 Å²	49.7	16%	0.155	25%	0.254	C	S	.	.	S	Bend	trans	81.8	-159.1	-175.6	0	0	0	0	0	113.4	T84 M123	T84-G120 WeakPolarHBondContact OG1-CA 3.3Å; G120-M123 VanDerWaalsContact O-CB 3.27Å; G120-M123 WeakPolarHBondContact O-CB 3.32Å; G120-M123 WeakPolarHBondContact O-CE 3.35Å; G120-M123 PolarHBondContact O-N 2.94Å
121	G	96.6	Very high	96.5	Very high	8 Å²	8	48.9 Å²	48.9	8%	0.082	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	-130.6	-176.2	0	0	0	0	0	112.4	T84 M123	T84-G121 WeakPolarHBondContact O-CA 3.46Å; T84-G121 PolarHBondContact O-N 3.06Å; T84-G121 PolarHBondContact OG1-N 3.04Å; G121-M123 VanDerWaalsContact C-N 3.27Å
122	P	96.9	Very high	96.6	Very high	25 Å²	25	46.6 Å²	46.6	16%	0.162	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-2.6	174.9	36.2	-37	0	0	0	113.5	L83 T235 T250 I252	L83-P122 HydrophobicContact CD2-CB 3.99Å; P122-T235 HydrophobicContact CB-CG2 4.12Å; P122-T235 HydrophobicContact CG-CG2 4.37Å; P122-T235 WeakPolarHBondContact CG-OG1 3.44Å; P122-T250 HydrophobicContact CB-CG2 4.16Å; P122-T250 HydrophobicContact CG-CG2 3.84Å; P122-I252 HydrophobicContact CG-CD1 3.85Å; P122-I252 HydrophobicContact CG-CG1 3.89Å
123	M	96.2	Very high	97	Very high	23 Å²	23	37.1 Å²	37.1	11%	0.113	20%	0.195	C	C	.	.			trans	-87.8	135.8	-168.6	-54.8	172.5	-84.3	0	0	111.9	I86 I118 S119 G120 G121 V181 I252	I86-M123 HydrophobicContact CG2-CE 4.33Å; I118-M123 HydrophobicContact CB-CE 4.29Å; I118-M123 HydrophobicContact CD1-CE 4.02Å; I118-M123 HydrophobicContact CD1-SD 3.77Å; I118-M123 HydrophobicContact CG1-CE 4.11Å; I118-M123 HydrophobicContact CG1-SD 3.88Å; S119-M123 VanDerWaalsContact C-CE 3.43Å; S119-M123 WeakPolarHBondContact O-CE 3.35Å; G120-M123 VanDerWaalsContact O-CB 3.27Å; G120-M123 WeakPolarHBondContact O-CB 3.32Å; G120-M123 WeakPolarHBondContact O-CE 3.35Å; G120-M123 PolarHBondContact O-N 2.94Å; G121-M123 VanDerWaalsContact C-N 3.27Å; M123-V181 HydrophobicContact CG-CG1 4.28Å; M123-V181 HydrophobicContact CG-CG2 3.7Å; M123-V181 HydrophobicContact SD-CB 4.12Å; M123-V181 HydrophobicContact SD-CG1 3.75Å; M123-V181 HydrophobicContact SD-CG2 3.78Å; M123-I252 HydrophobicContact CE-CD1 4.17Å; M123-I252 HydrophobicContact SD-CD1 4.49Å
124	T	94.9	Very high	97.3	Very high	123 Å²	123	29.8 Å²	29.8	76%	0.755	16%	0.161	S	C	*	.	S	Bend	trans	-84.3	-31.3	168.1	-49.3	0	0	0	0	112.3
125	Y	97.4	Very high	97.6	Very high	73 Å²	73	28 Å²	28	29%	0.286	15%	0.153	S	C	.	.	S	Bend	trans	-114.3	163	-173.2	-55.5	-80.4	0	0	0	111.8	H127 N163 E165 L166 N178	Y125-H127 PolarHBondContact O-CE1 3.42Å; Y125-H127 PolarHBondContact O-ND1 2.67Å; Y125-N163 WeakPolarHBondContact CB-ND2 3.43Å; Y125-N163 WeakPolarHBondContact CD2-ND2 3.25Å; Y125-E165 WeakPolarHBondContact CA-OE2 3.03Å; Y125-E165 WeakPolarHBondContact CB-OE2 3.39Å; Y125-E165 HydrophobicContact CD1-CB 4.46Å; Y125-E165 WeakPolarHBondContact CD1-OE2 3.34Å; Y125-L166 HydrophobicContact CD1-CD2 4.35Å; Y125-L166 HydrophobicContact CD1-CG 4.24Å; Y125-L166 HydrophobicContact CD2-CD1 4.2Å; Y125-L166 HydrophobicContact CE1-CD1 4.16Å; Y125-L166 HydrophobicContact CE1-CD2 3.85Å; Y125-L166 HydrophobicContact CE1-CG 4.09Å; Y125-L166 HydrophobicContact CE2-CD1 3.8Å; Y125-N178 HydrophobicContact CE2-CB 4.4Å
126	S	97.9	Very high	97.8	Very high	20 Å²	20	24 Å²	24	14%	0.14	13%	0.132	C	C	.	.			trans	-79.6	130.5	168.7	-166.8	0	0	0	0	111.4	I118 H164 E165	I118-S126 WeakPolarHBondContact O-CA 3.39Å; S126-H164 PolarHBondContact O-CE1 2.81Å; S126-H164 PolarHBondContact O-ND1 3.17Å; S126-H164 PolarHBondContact OG-CE1 3.24Å; S126-E165 WeakPolarHBondContact CB-OE1 3.44Å; S126-E165 PolarHBondContact N-OE1 2.92Å; S126-E165 PolarHBondContact N-OE2 3.45Å
127	H	98.6	Very high	97.8	Very high	5 Å²	5	24 Å²	24	2%	0.023	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	134	-178.1	-64.2	69.5	0	0	0	110.9	N117 I118 Y125 H161 Y162 N163 V181	N117-H127 CarbonylContact C-O 3.37Å; N117-H127 WeakPolarHBondContact CA-O 3.27Å; I118-H127 HydrophobicContact CG1-CB 4.04Å; I118-H127 PolarHBondContact N-O 3.48Å; I118-H127 PolarHBondContact O-N 3Å; Y125-H127 PolarHBondContact O-CE1 3.42Å; Y125-H127 PolarHBondContact O-ND1 2.67Å; H127-H161 HydrophobicContact CB-CB 3.62Å; H127-Y162 CarbonylContact C-O 3.36Å; H127-Y162 VanDerWaalsContact CA-O 3.26Å; H127-Y162 WeakPolarHBondContact CA-O 3.47Å; H127-N163 PolarHBondContact CD2-N 2.76Å; H127-V181 HydrophobicContact CB-CB 4.41Å; H127-V181 VanDerWaalsContact CD2-CG2 3.47Å; H127-V181 WeakPolarHBondContact CD2-CG2 3.41Å; H127-V181 WeakPolarHBondContact NE2-CG2 3.49Å
128	R	98.4	Very high	97.7	Very high	56 Å²	56	25.7 Å²	25.7	21%	0.211	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	133.9	-177.4	-177.3	166.5	-62.5	170.6	6	111.1	V116 N117 E130 H161 Y162 H164	V116-R128 WeakPolarHBondContact O-CA 3.16Å; N117-R128 WeakPolarHBondContact OD1-CA 3.24Å; N117-R128 WeakPolarHBondContact OD1-CB 3.04Å; N117-R128 WeakPolarHBondContact OD1-CG 3.38Å; N117-R128 PolarHBondContact OD1-NE 2.77Å; N117-R128 VanDerWaalsContact OD1-NE 3.14Å; R128-E130 PolarHBondContact O-N 2.88Å; R128-H161 CarbonylContact O-C 3.47Å; R128-H161 WeakPolarHBondContact O-CA 3.46Å; R128-H161 WeakPolarHBondContact O-CB 3.5Å; R128-Y162 HydrophobicContact CB-CD1 4.27Å; R128-Y162 HydrophobicContact CB-CE1 3.87Å; R128-Y162 HydrophobicContact CG-CE1 4.09Å; R128-Y162 PolarHBondContact N-O 3.48Å; R128-Y162 WeakPolarHBondContact O-CD1 3.3Å; R128-Y162 PolarHBondContact O-N 3.17Å; R128-H164 HydrophobicContact CB-CB 3.96Å; R128-H164 PolarHBondContact NH2-CD2 3.15Å; R128-H164 PolarHBondContact NH2-NE2 2.91Å
129	L	98.5	Very high	97.6	Very high	14 Å²	14	31 Å²	31	7%	0.073	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	126.5	176.8	-179.1	62.9	0	0	0	110.6	L110 V116 I132 L159 H161 I223	L110-L129 HydrophobicContact CD1-CD2 3.73Å; L110-L129 HydrophobicContact CG-CD2 4.3Å; V116-L129 HydrophobicContact CB-CB 4.1Å; V116-L129 HydrophobicContact CB-CD2 4.28Å; V116-L129 HydrophobicContact CG1-CB 4.28Å; V116-L129 HydrophobicContact CG1-CD2 4.17Å; V116-L129 PolarHBondContact O-N 2.74Å; L129-I132 HydrophobicContact CD1-CG1 4.06Å; L129-I132 HydrophobicContact CD2-CD1 4.13Å; L129-I132 HydrophobicContact CD2-CG1 4.15Å; L129-L159 HydrophobicContact CD1-CB 3.97Å; L129-L159 HydrophobicContact CD1-CD2 4.43Å; L129-H161 VanDerWaalsContact CA-CD2 3.47Å; L129-H161 WeakPolarHBondContact CA-CD2 3.42Å; L129-H161 PolarHBondContact N-CD2 3Å; L129-I223 HydrophobicContact CD2-CG2 4.31Å
130	E	98.1	Very high	97.5	Very high	63 Å²	63	32.7 Å²	32.7	29%	0.294	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	-48.8	176.5	177.5	65.9	-160.2	0	0	111.2	R128 I160 Y162 Y170	R128-E130 PolarHBondContact O-N 2.88Å; E130-I160 PolarHBondContact N-O 3.06Å; E130-Y162 HydrophobicContact CB-CD1 4.2Å; E130-Y170 HydrophobicContact CB-CD2 4.12Å; E130-Y170 HydrophobicContact CG-CD1 4.45Å; E130-Y170 HydrophobicContact CG-CD2 3.78Å; E130-Y170 HydrophobicContact CG-CE2 4.42Å; E130-Y170 HydrophobicContact CG-CG 3.79Å
131	E	98.3	Very high	97.3	Very high	8 Å²	8	33.2 Å²	33.2	4%	0.037	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	138.2	-171.9	-177.2	-179.5	157.6	0	0	110.4	H105 S107 R109 R133 I160	H105-E131 IonicContact CD2-OE1 3.29Å; H105-E131 IonicContact NE2-OE1 3.65Å; H105-E131 PolarHBondContact NE2-OE1 2.97Å; S107-E131 WeakPolarHBondContact OG-CG 3.39Å; S107-E131 PolarHBondContact OG-OE1 2.94Å; R109-E131 HydrophobicContact CG-CG 4.44Å; R109-E131 IonicContact NH2-OE2 3.58Å; E131-R133 IonicContact OE1-CZ 3.88Å; E131-R133 IonicContact OE1-NE 3.84Å; E131-R133 PolarHBondContact OE1-NE 3.07Å; E131-R133 IonicContact OE1-NH2 3.71Å; E131-R133 PolarHBondContact OE1-NH2 2.86Å; E131-R133 IonicContact OE2-CZ 3.42Å; E131-R133 IonicContact OE2-NH2 3.93Å; E131-R133 PolarHBondContact OE2-NH2 2.75Å; E131-I160 HydrophobicContact CB-CB 4.49Å; E131-I160 HydrophobicContact CB-CD1 4.14Å; E131-I160 HydrophobicContact CG-CD1 4.32Å; E131-I160 PolarHBondContact N-O 3.18Å; E131-I160 WeakPolarHBondContact O-CD1 3.32Å; E131-I160 PolarHBondContact O-N 2.99Å
132	I	98.7	Very high	97.1	Very high	2 Å²	2	38 Å²	38	1%	0.01	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	120.4	162.7	-57.9	175	0	0	0	107.2	S107 L108 L129 V157 Q158 L159 F196 I223 I226	S107-I132 CarbonylContact C-O 3.58Å; S107-I132 WeakPolarHBondContact CA-O 3.49Å; L108-I132 HydrophobicContact CB-CB 4.25Å; L108-I132 HydrophobicContact CD2-CD1 4.14Å; L108-I132 PolarHBondContact N-O 2.9Å; L108-I132 PolarHBondContact O-N 2.8Å; L129-I132 HydrophobicContact CD1-CG1 4.06Å; L129-I132 HydrophobicContact CD2-CD1 4.13Å; L129-I132 HydrophobicContact CD2-CG1 4.15Å; I132-V157 HydrophobicContact CG2-CG1 3.73Å; I132-Q158 CarbonylContact C-O 3.38Å; I132-Q158 WeakPolarHBondContact CA-O 3.08Å; I132-L159 HydrophobicContact CD1-CD2 4.24Å; I132-L159 HydrophobicContact CG1-CD2 4.17Å; I132-L159 HydrophobicContact CG1-CG 4.12Å; I132-L159 HydrophobicContact CG2-CG 4.49Å; I132-F196 HydrophobicContact CD1-CE2 4.49Å; I132-F196 HydrophobicContact CD1-CZ 3.78Å; I132-I223 HydrophobicContact CD1-CD1 4.35Å; I132-I226 HydrophobicContact CD1-CD1 4.24Å; I132-I226 HydrophobicContact CG2-CD1 3.91Å
133	R	98.4	Very high	97.1	Very high	6 Å²	6	37.1 Å²	37.1	2%	0.023	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	140.4	-175	-177.8	174.5	-52.9	138	2.7	111.2	H105 V106 E131 H135 V157 Q158 I160	H105-R133 HydrophobicContact CB-CG 4.12Å; H105-R133 VanDerWaalsContact CD2-CG 3.48Å; H105-R133 WeakPolarHBondContact CD2-CG 3.28Å; H105-R133 PolarHBondContact NE2-NE 2.63Å; V106-R133 WeakPolarHBondContact O-CA 3.03Å; E131-R133 IonicContact OE1-CZ 3.88Å; E131-R133 IonicContact OE1-NE 3.84Å; E131-R133 PolarHBondContact OE1-NE 3.07Å; E131-R133 IonicContact OE1-NH2 3.71Å; E131-R133 PolarHBondContact OE1-NH2 2.86Å; E131-R133 IonicContact OE2-CZ 3.42Å; E131-R133 IonicContact OE2-NH2 3.93Å; E131-R133 PolarHBondContact OE2-NH2 2.75Å; R133-H135 VanDerWaalsContact CD-NE2 3.28Å; R133-H135 WeakPolarHBondContact CD-NE2 3.48Å; R133-V157 WeakPolarHBondContact O-CA 3.47Å; R133-Q158 HydrophobicContact CB-CB 4.37Å; R133-Q158 PolarHBondContact N-O 3.35Å; R133-Q158 PolarHBondContact O-N 2.85Å; R133-I160 HydrophobicContact CB-CD1 3.86Å
134	L	98.6	Very high	97.2	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	129.2	175	-54.6	-177.4	0	0	0	111.9	V106 F136 V157 M187 M200 L201 L268 N286	V106-L134 HydrophobicContact CB-CB 4.19Å; V106-L134 HydrophobicContact CB-CD1 4.15Å; V106-L134 HydrophobicContact CB-CG 4.3Å; V106-L134 HydrophobicContact CG1-CD1 4.19Å; V106-L134 PolarHBondContact O-N 2.79Å; L134-F136 HydrophobicContact CB-CD1 4.42Å; L134-V157 HydrophobicContact CD2-CB 4.18Å; L134-V157 HydrophobicContact CD2-CG1 4.04Å; L134-V157 HydrophobicContact CD2-CG2 3.66Å; L134-M187 HydrophobicContact CD2-SD 4.26Å; L134-M200 HydrophobicContact CD1-CE 3.67Å; L134-M200 HydrophobicContact CD1-SD 4.4Å; L134-M200 HydrophobicContact CG-CE 4.09Å; L134-L201 HydrophobicContact CD1-CD2 4.15Å; L134-L268 HydrophobicContact CD1-CD2 4.07Å; L134-N286 PolarHBondContact O-ND2 3.49Å; L134-N286 VanDerWaalsContact O-ND2 3.07Å
135	H	98.6	Very high	97.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	136.9	165.5	-61	-93.7	0	0	0	109.1	Y36 R133 G143 E145 G155 E156 Q158 M187 N286 V287	Y36-H135 PolarHBondContact OH-CE1 3.49Å; Y36-H135 VanDerWaalsContact OH-CE1 3.27Å; R133-H135 VanDerWaalsContact CD-NE2 3.28Å; R133-H135 WeakPolarHBondContact CD-NE2 3.48Å; H135-G143 CarbonylContact C-O 3.3Å; H135-E145 HydrophobicContact CB-CG 4.17Å; H135-E145 IonicContact CD2-OE2 2.87Å; H135-E145 VanDerWaalsContact CE1-CD 3.47Å; H135-E145 IonicContact CE1-OE1 3.67Å; H135-E145 IonicContact CE1-OE2 2.88Å; H135-E145 PolarHBondContact CE1-OE2 2.9Å; H135-E145 IonicContact ND1-OE1 2.93Å; H135-E145 IonicContact ND1-OE2 3.01Å; H135-E145 IonicContact NE2-OE2 3.36Å; H135-G155 CarbonylContact O-C 3.54Å; H135-G155 WeakPolarHBondContact O-CA 3.42Å; H135-E156 HydrophobicContact CB-CB 4.46Å; H135-E156 PolarHBondContact N-O 2.8Å; H135-E156 PolarHBondContact O-N 3.37Å; H135-Q158 PolarHBondContact NE2-OE1 2.88Å; H135-M187 WeakPolarHBondContact O-CE 3.41Å; H135-N286 WeakPolarHBondContact CA-OD1 3.45Å; H135-N286 PolarHBondContact ND1-O 2.78Å; H135-V287 HydrophobicContact CB-CG1 4.23Å
136	F	98.5	Very high	97.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	148.7	-178.8	55.9	-88.5	0	0	0	110.3	V106 L134 G143 M187 M265 L268 R269 M283 D285 N286	V106-F136 HydrophobicContact CG2-CE1 4.35Å; L134-F136 HydrophobicContact CB-CD1 4.42Å; F136-G143 PolarHBondContact N-O 2.81Å; F136-M187 HydrophobicContact CB-CE 4.2Å; F136-M265 HydrophobicContact CB-CE 4.49Å; F136-M265 HydrophobicContact CB-SD 4.12Å; F136-L268 HydrophobicContact CD1-CB 4.33Å; F136-L268 HydrophobicContact CD1-CD1 4.38Å; F136-L268 HydrophobicContact CD1-CD2 4.35Å; F136-L268 HydrophobicContact CD2-CB 4.03Å; F136-L268 HydrophobicContact CE1-CB 4.26Å; F136-L268 HydrophobicContact CE1-CD2 4.06Å; F136-L268 HydrophobicContact CE2-CB 3.94Å; F136-L268 WeakPolarHBondContact CE2-O 3.07Å; F136-L268 HydrophobicContact CG-CB 4.22Å; F136-L268 HydrophobicContact CG-CD1 4.48Å; F136-L268 HydrophobicContact CZ-CB 4.06Å; F136-L268 HydrophobicContact CZ-CD2 4.46Å; F136-L268 WeakPolarHBondContact CZ-O 3.32Å; F136-R269 HydrophobicContact CD2-CG 4.45Å; F136-M283 HydrophobicContact CE1-CG 4.37Å; F136-M283 HydrophobicContact CE1-SD 4.08Å; F136-M283 HydrophobicContact CE2-CB 4.44Å; F136-M283 HydrophobicContact CZ-CB 3.94Å; F136-M283 HydrophobicContact CZ-CG 3.79Å; F136-M283 HydrophobicContact CZ-SD 3.86Å; F136-D285 PolarHBondContact O-N 3.32Å; F136-N286 PolarHBondContact N-OD1 2.97Å; F136-N286 PolarHBondContact O-OD1 3.14Å; F136-N286 VanDerWaalsContact O-OD1 3.06Å
137	G	97.6	Very high	97.5	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.147	C	C	.	.			trans	-103.9	172.9	179.6	0	0	0	0	0	112.9	E139 Q142 S154 R269 D285	G137-E139 VanDerWaalsContact C-N 3.25Å; G137-Q142 WeakPolarHBondContact CA-O 3.3Å; G137-Q142 PolarHBondContact N-O 2.79Å; G137-S154 PolarHBondContact N-O 3.08Å; G137-R269 PolarHBondContact O-NE 3.32Å; G137-D285 WeakPolarHBondContact CA-OD1 3.48Å
138	S	96.8	Very high	97.3	Very high	54 Å²	54	28.4 Å²	28.4	38%	0.378	15%	0.15	S	C	.	.	S	Bend	trans	-71.3	-24	178.7	48.4	0	0	0	0	112.2	R269 D285	S138-R269 WeakPolarHBondContact O-CD 3.37Å; S138-R269 VanDerWaalsContact O-CZ 3.32Å; S138-R269 PolarHBondContact O-NE 2.82Å; S138-R269 VanDerWaalsContact O-NE 3.1Å; S138-D285 VanDerWaalsContact CB-OD2 3.3Å; S138-D285 WeakPolarHBondContact CB-OD2 3.43Å; S138-D285 PolarHBondContact N-OD1 2.9Å; S138-D285 PolarHBondContact OG-OD1 3.11Å; S138-D285 VanDerWaalsContact OG-OD1 3.08Å; S138-D285 PolarHBondContact OG-OD2 2.74Å
139	E	95.9	Very high	97.1	Very high	112 Å²	112	29.3 Å²	29.3	52%	0.523	16%	0.159	S	C	.	.	S	Bend	trans	-120.5	161.4	-177.4	-65.3	-171.6	-178.6	0	0	113.4	G137 Q142 R269	G137-E139 VanDerWaalsContact C-N 3.25Å; E139-Q142 HydrophobicContact CB-CB 4.45Å; E139-Q142 PolarHBondContact O-N 3.26Å; E139-Q142 PolarHBondContact OE2-NE2 3.43Å; E139-R269 PolarHBondContact O-NH2 3.26Å
140	D	94.9	Very high	97	Very high	78 Å²	78	30.9 Å²	30.9	42%	0.417	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	132.8	176.8	-65.8	1.1	0	0	0	109.2	Q142 I189 R269	D140-Q142 VanDerWaalsContact C-N 3.29Å; D140-Q142 PolarHBondContact O-N 2.8Å; D140-I189 HydrophobicContact CB-CD1 4.1Å; D140-I189 WeakPolarHBondContact OD1-CD1 3.34Å; D140-I189 VanDerWaalsContact OD2-CD1 3.3Å; D140-I189 WeakPolarHBondContact OD2-CD1 3.41Å; D140-R269 IonicContact OD1-CZ 3.97Å; D140-R269 VanDerWaalsContact OD1-CZ 3.29Å; D140-R269 IonicContact OD1-NH1 3.5Å; D140-R269 PolarHBondContact OD1-NH1 3.32Å; D140-R269 IonicContact OD1-NH2 3.77Å; D140-R269 PolarHBondContact OD1-NH2 2.81Å
141	G	93.3	Very high	96.9	Very high	26 Å²	26	32.4 Å²	32.4	27%	0.268	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	5.8	-175.1	0	0	0	0	0	115.1	A152 S154	G141-A152 CarbonylContact O-C 3.5Å; G141-A152 VanDerWaalsContact O-C 3.3Å; G141-A152 VanDerWaalsContact O-CB 3.23Å; G141-A152 WeakPolarHBondContact O-CB 3.48Å; G141-S154 PolarHBondContact N-OG 3.35Å
142	Q	93.3	Very high	96.8	Very high	109 Å²	109	33 Å²	33	51%	0.509	19%	0.191	S	C	.	.			trans	-130.8	119.8	171.8	-57.1	-169.2	62	0	0	107.8	G137 E139 D140 F153	G137-Q142 WeakPolarHBondContact CA-O 3.3Å; G137-Q142 PolarHBondContact N-O 2.79Å; E139-Q142 HydrophobicContact CB-CB 4.45Å; E139-Q142 PolarHBondContact O-N 3.26Å; E139-Q142 PolarHBondContact OE2-NE2 3.43Å; D140-Q142 VanDerWaalsContact C-N 3.29Å; D140-Q142 PolarHBondContact O-N 2.8Å; Q142-F153 CarbonylContact C-O 3.57Å; Q142-F153 VanDerWaalsContact C-O 3.27Å
143	G	96.4	Very high	96.8	Very high	6 Å²	6	33.2 Å²	33.2	6%	0.062	19%	0.193	C	C	.	.			trans	151.6	-17.2	-176.4	0	0	0	0	0	117.5	H135 F136 F153 V287	H135-G143 CarbonylContact C-O 3.3Å; F136-G143 PolarHBondContact N-O 2.81Å; G143-F153 CarbonylContact C-O 3.54Å; G143-F153 WeakPolarHBondContact CA-O 3.13Å; G143-F153 PolarHBondContact N-O 2.84Å; G143-V287 WeakPolarHBondContact O-CG1 3.48Å
144	S	98.5	Very high	96.8	Very high	7 Å²	7	33.4 Å²	33.4	5%	0.049	20%	0.195	C	C	.	.			trans	-74.6	149.3	164.9	60.8	0	0	0	0	110.8	H146 A152 F153	S144-H146 WeakPolarHBondContact CB-O 3.17Å; S144-H146 PolarHBondContact OG-O 3.02Å; S144-A152 WeakPolarHBondContact OG-CA 3.12Å; S144-F153 PolarHBondContact N-O 3.32Å; S144-F153 PolarHBondContact OG-N 3.09Å
145	E	98.5	Very high	96.7	Very high	3 Å²	3	33.4 Å²	33.4	1%	0.014	20%	0.195	C	C	.	.	S	Bend	trans	-77.9	-46.8	172.9	-72.7	-153.1	116.4	0	0	109.7	P69 H135 E156 Q158 T241 V287 R288	P69-E145 VanDerWaalsContact CB-C 3.44Å; P69-E145 HydrophobicContact CB-CB 3.85Å; P69-E145 VanDerWaalsContact CB-O 3.3Å; P69-E145 WeakPolarHBondContact CB-O 3.13Å; P69-E145 HydrophobicContact CG-CB 3.78Å; P69-E145 WeakPolarHBondContact CG-O 3.49Å; H135-E145 HydrophobicContact CB-CG 4.17Å; H135-E145 IonicContact CD2-OE2 2.87Å; H135-E145 VanDerWaalsContact CE1-CD 3.47Å; H135-E145 IonicContact CE1-OE1 3.67Å; H135-E145 IonicContact CE1-OE2 2.88Å; H135-E145 PolarHBondContact CE1-OE2 2.9Å; H135-E145 IonicContact ND1-OE1 2.93Å; H135-E145 IonicContact ND1-OE2 3.01Å; H135-E145 IonicContact NE2-OE2 3.36Å; E145-E156 PolarHBondContact N-OE2 3.1Å; E145-Q158 PolarHBondContact OE2-NE2 2.75Å; E145-T241 WeakPolarHBondContact OE2-CB 3.44Å; E145-T241 VanDerWaalsContact OE2-CG2 3.24Å; E145-T241 WeakPolarHBondContact OE2-CG2 3.47Å; E145-T241 PolarHBondContact OE2-OG1 2.88Å; E145-V287 HydrophobicContact CG-CB 4.1Å; E145-V287 HydrophobicContact CG-CG1 4.11Å; E145-R288 WeakPolarHBondContact OE1-CB 3.35Å; E145-R288 PolarHBondContact OE1-N 3.18Å
146	H	98.7	Very high	96.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.195	C	C	.	.	S	Bend	trans	-73.9	148	172.6	-68.2	85.2	0	0	0	111.2	S144 E156 F186 Y236 W251 L253	S144-H146 WeakPolarHBondContact CB-O 3.17Å; S144-H146 PolarHBondContact OG-O 3.02Å; H146-E156 IonicContact CE1-OE1 3.12Å; H146-E156 IonicContact CG-OE1 3.95Å; H146-E156 IonicContact CG-OE2 2.88Å; H146-E156 PolarHBondContact N-OE2 2.88Å; H146-E156 IonicContact ND1-OE1 3.43Å; H146-E156 PolarHBondContact ND1-OE1 3.13Å; H146-E156 IonicContact ND1-OE2 3.24Å; H146-E156 PolarHBondContact ND1-OE2 3.23Å; H146-F186 HydrophobicContact CB-CE1 3.75Å; H146-F186 HydrophobicContact CB-CZ 3.78Å; H146-F186 WeakPolarHBondContact O-CE1 3.08Å; H146-Y236 AromaticContact NE2-CE1 3.65Å; H146-Y236 AromaticContact NE2-CZ 3.61Å; H146-Y236 PolarHBondContact NE2-OH 2.84Å; H146-W251 AromaticContact CE1-CD2 3.76Å; H146-W251 AromaticContact CE1-CE3 3.38Å; H146-W251 AromaticContact CE1-CH2 3.8Å; H146-W251 AromaticContact CE1-CZ3 3.39Å; H146-W251 WeakPolarHBondContact CE1-CZ3 3.45Å; H146-W251 AromaticContact NE2-CD2 3.99Å; H146-W251 AromaticContact NE2-CE3 3.98Å; H146-L253 HydrophobicContact CB-CD2 4Å
147	L	98.1	Very high	96.8	Very high	37 Å²	37	33.4 Å²	33.4	19%	0.194	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	151.8	169.2	-54.3	178.9	0	0	0	109.4	V70 N71 I72 Q151 A152 V290	V70-L147 PolarHBondContact O-N 2.79Å; N71-L147 HydrophobicContact CB-CB 4.19Å; N71-L147 WeakPolarHBondContact OD1-CB 3.4Å; I72-L147 PolarHBondContact N-O 2.76Å; L147-Q151 WeakPolarHBondContact CA-O 3.07Å; L147-A152 HydrophobicContact CD2-CB 3.49Å; L147-A152 VanDerWaalsContact CD2-CB 3.49Å; L147-V290 HydrophobicContact CB-CG1 4.32Å; L147-V290 HydrophobicContact CD1-CG1 3.58Å; L147-V290 HydrophobicContact CD1-CG2 4.16Å; L147-V290 HydrophobicContact CG-CG1 3.55Å
148	L	95.4	Very high	96.8	Very high	14 Å²	14	33.4 Å²	33.4	7%	0.073	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	116	170.4	-173.4	73	0	0	0	108.4	I72 T74 G150 Q151 F186 Y321	I72-L148 HydrophobicContact CB-CD1 4.04Å; I72-L148 HydrophobicContact CG2-CD1 3.97Å; T74-L148 HydrophobicContact CG2-CD1 3.63Å; T74-L148 HydrophobicContact CG2-CG 4.26Å; L148-G150 PolarHBondContact O-N 2.62Å; L148-Q151 PolarHBondContact N-O 3.16Å; L148-Q151 WeakPolarHBondContact O-CB 3.49Å; L148-Q151 PolarHBondContact O-N 3.1Å; L148-F186 HydrophobicContact CB-CE2 4.47Å; L148-Y321 VanDerWaalsContact CD2-CB 3.47Å; L148-Y321 HydrophobicContact CD2-CD1 4.5Å; L148-Y321 HydrophobicContact CD2-CD2 3.3Å; L148-Y321 HydrophobicContact CD2-CE2 4.02Å; L148-Y321 HydrophobicContact CD2-CG 3.53Å
149	N	94.5	Very high	96.9	Very high	75 Å²	75	30.8 Å²	30.8	40%	0.401	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	42	-174.6	-63	-29.8	0	0	0	112.9	N71 I72 E73 T74 Q151	N71-N149 PolarHBondContact OD1-N 3.24Å; I72-N149 PolarHBondContact O-N 3.21Å; I72-N149 PolarHBondContact O-OD1 2.9Å; E73-N149 WeakPolarHBondContact CA-OD1 3.32Å; T74-N149 WeakPolarHBondContact CG2-ND2 3.18Å; T74-N149 PolarHBondContact N-OD1 2.85Å; T74-N149 PolarHBondContact OG1-ND2 3.12Å; T74-N149 PolarHBondContact OG1-OD1 3.32Å; N149-Q151 VanDerWaalsContact C-N 3.28Å; N149-Q151 PolarHBondContact O-N 3.04Å
150	G	95.8	Very high	97.1	Very high	47 Å²	47	25.6 Å²	25.6	49%	0.485	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.1	-0.3	-179	0	0	0	0	0	115.1	N71 L148	N71-G150 PolarHBondContact OD1-N 2.87Å; L148-G150 PolarHBondContact O-N 2.62Å
151	Q	95.9	Very high	97.2	Very high	95 Å²	95	21.9 Å²	21.9	44%	0.444	13%	0.132	S	C	.	.	B	Isolated β-bridge	trans	-104.4	133.7	-176.6	-57.8	-177.4	20.8	0	0	111.7	L147 L148 N149 V323	L147-Q151 WeakPolarHBondContact CA-O 3.07Å; L148-Q151 PolarHBondContact N-O 3.16Å; L148-Q151 WeakPolarHBondContact O-CB 3.49Å; L148-Q151 PolarHBondContact O-N 3.1Å; N149-Q151 VanDerWaalsContact C-N 3.28Å; N149-Q151 PolarHBondContact O-N 3.04Å; Q151-V323 HydrophobicContact CB-CG1 4.42Å
152	A	96.7	Very high	97.5	Very high	20 Å²	20	21.8 Å²	21.8	17%	0.165	12%	0.124	C	C	.	.			trans	-89.7	165.6	172.6	0	0	0	0	0	111.5	G141 S144 L147	G141-A152 CarbonylContact O-C 3.5Å; G141-A152 VanDerWaalsContact O-C 3.3Å; G141-A152 VanDerWaalsContact O-CB 3.23Å; G141-A152 WeakPolarHBondContact O-CB 3.48Å; S144-A152 WeakPolarHBondContact OG-CA 3.12Å; L147-A152 HydrophobicContact CD2-CB 3.49Å; L147-A152 VanDerWaalsContact CD2-CB 3.49Å
153	F	97.8	Very high	97.7	Very high	8 Å²	8	16.6 Å²	16.6	4%	0.035	10%	0.1	C	C	.	.			trans	-109.1	166.4	168.1	-73.4	-101.8	0	0	0	109.8	Q142 G143 S144 G155 F186 K188 Y321 V323	Q142-F153 CarbonylContact C-O 3.57Å; Q142-F153 VanDerWaalsContact C-O 3.27Å; G143-F153 CarbonylContact C-O 3.54Å; G143-F153 WeakPolarHBondContact CA-O 3.13Å; G143-F153 PolarHBondContact N-O 2.84Å; S144-F153 PolarHBondContact N-O 3.32Å; S144-F153 PolarHBondContact OG-N 3.09Å; F153-G155 PolarHBondContact O-N 3.45Å; F153-G155 VanDerWaalsContact O-N 3.09Å; F153-F186 HydrophobicContact CB-CB 3.99Å; F153-F186 HydrophobicContact CB-CD1 4.08Å; F153-F186 HydrophobicContact CB-CG 4.19Å; F153-F186 HydrophobicContact CD1-CB 3.77Å; F153-F186 HydrophobicContact CD1-CG 4.26Å; F153-F186 HydrophobicContact CD2-CB 3.82Å; F153-F186 AromaticContact CD2-CD1 3.57Å; F153-F186 HydrophobicContact CD2-CD1 3.57Å; F153-F186 AromaticContact CD2-CD2 3.54Å; F153-F186 HydrophobicContact CD2-CD2 3.54Å; F153-F186 AromaticContact CD2-CE1 3.95Å; F153-F186 HydrophobicContact CD2-CE1 3.95Å; F153-F186 AromaticContact CD2-CE2 3.95Å; F153-F186 HydrophobicContact CD2-CE2 3.95Å; F153-F186 AromaticContact CD2-CG 3.36Å; F153-F186 HydrophobicContact CD2-CG 3.36Å; F153-F186 HydrophobicContact CD2-CZ 4.14Å; F153-F186 HydrophobicContact CE1-CB 4.19Å; F153-F186 HydrophobicContact CE1-CD2 4.5Å; F153-F186 HydrophobicContact CE2-CB 4.24Å; F153-F186 HydrophobicContact CE2-CD1 4.27Å; F153-F186 AromaticContact CE2-CD2 3.37Å; F153-F186 HydrophobicContact CE2-CD2 3.37Å; F153-F186 HydrophobicContact CE2-CE1 4.5Å; F153-F186 AromaticContact CE2-CE2 3.69Å; F153-F186 HydrophobicContact CE2-CE2 3.69Å; F153-F186 AromaticContact CE2-CG 3.72Å; F153-F186 HydrophobicContact CE2-CG 3.72Å; F153-F186 HydrophobicContact CE2-CZ 4.25Å; F153-F186 HydrophobicContact CG-CB 3.57Å; F153-F186 AromaticContact CG-CD1 3.97Å; F153-F186 HydrophobicContact CG-CD1 3.97Å; F153-F186 HydrophobicContact CG-CD2 4.21Å; F153-F186 AromaticContact CG-CG 3.67Å; F153-F186 HydrophobicContact CG-CG 3.67Å; F153-F186 HydrophobicContact CZ-CB 4.4Å; F153-F186 AromaticContact CZ-CD2 3.9Å; F153-F186 HydrophobicContact CZ-CD2 3.9Å; F153-F186 HydrophobicContact CZ-CG 4.29Å; F153-K188 HydrophobicContact CD1-CB 4.41Å; F153-Y321 HydrophobicContact CE1-CD1 4.49Å; F153-Y321 HydrophobicContact CE2-CD1 4.48Å; F153-Y321 AromaticContact CZ-CD1 3.86Å; F153-Y321 HydrophobicContact CZ-CD1 3.86Å; F153-Y321 HydrophobicContact CZ-CG 4.24Å; F153-V323 HydrophobicContact CE1-CG2 3.83Å; F153-V323 HydrophobicContact CE2-CG2 3.85Å; F153-V323 HydrophobicContact CZ-CG2 3.37Å
154	S	98.1	Very high	97.8	Very high	10 Å²	10	18.5 Å²	18.5	7%	0.07	11%	0.107	C	C	.	.	S	Bend	trans	-62	-19.1	178.5	-49.8	0	0	0	0	113.1	G137 G141 M187	G137-S154 PolarHBondContact N-O 3.08Å; G141-S154 PolarHBondContact N-OG 3.35Å; S154-M187 PolarHBondContact N-O 2.96Å
155	G	98.4	Very high	97.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.2	-176.4	171.1	0	0	0	0	0	113.2	H135 F153 M187	H135-G155 CarbonylContact O-C 3.54Å; H135-G155 WeakPolarHBondContact O-CA 3.42Å; F153-G155 PolarHBondContact O-N 3.45Å; F153-G155 VanDerWaalsContact O-N 3.09Å; G155-M187 PolarHBondContact O-N 3.2Å
156	E	98.8	Very high	97.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	132.9	-179.5	-175.9	177.4	147.7	0	0	110.4	H135 E145 H146 Q158 S184 F186	H135-E156 HydrophobicContact CB-CB 4.46Å; H135-E156 PolarHBondContact N-O 2.8Å; H135-E156 PolarHBondContact O-N 3.37Å; E145-E156 PolarHBondContact N-OE2 3.1Å; H146-E156 IonicContact CE1-OE1 3.12Å; H146-E156 IonicContact CG-OE1 3.95Å; H146-E156 IonicContact CG-OE2 2.88Å; H146-E156 PolarHBondContact N-OE2 2.88Å; H146-E156 IonicContact ND1-OE1 3.43Å; H146-E156 PolarHBondContact ND1-OE1 3.13Å; H146-E156 IonicContact ND1-OE2 3.24Å; H146-E156 PolarHBondContact ND1-OE2 3.23Å; E156-Q158 HydrophobicContact CG-CG 4.21Å; E156-Q158 PolarHBondContact OE1-NE2 3.44Å; E156-S184 VanDerWaalsContact CG-OG 3.32Å; E156-S184 WeakPolarHBondContact CG-OG 3.26Å; E156-S184 PolarHBondContact OE1-OG 3.23Å; E156-F186 HydrophobicContact CG-CD1 4.46Å
157	V	98.7	Very high	97.7	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	129.4	168.3	-174.1	0	0	0	0	108.2	I132 R133 L134 L159 S184 I185 M187 I226 V258	I132-V157 HydrophobicContact CG2-CG1 3.73Å; R133-V157 WeakPolarHBondContact O-CA 3.47Å; L134-V157 HydrophobicContact CD2-CB 4.18Å; L134-V157 HydrophobicContact CD2-CG1 4.04Å; L134-V157 HydrophobicContact CD2-CG2 3.66Å; V157-L159 HydrophobicContact CG1-CD1 3.96Å; V157-S184 CarbonylContact O-C 3.54Å; V157-S184 WeakPolarHBondContact O-CA 3.48Å; V157-I185 HydrophobicContact CB-CB 4.41Å; V157-I185 PolarHBondContact N-O 2.88Å; V157-I185 PolarHBondContact O-N 2.04Å; V157-M187 HydrophobicContact CG2-CG 3.66Å; V157-M187 HydrophobicContact CG2-SD 3.76Å; V157-I226 HydrophobicContact CG1-CD1 3.67Å; V157-I226 HydrophobicContact CG1-CG1 4.49Å; V157-V258 HydrophobicContact CG2-CG2 3.9Å
158	Q	98.8	Very high	97.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	119.6	173.4	-63.5	178.6	-2.5	0	0	109.3	I132 R133 H135 E145 E156 I160 I182 V183 W251	I132-Q158 CarbonylContact C-O 3.38Å; I132-Q158 WeakPolarHBondContact CA-O 3.08Å; R133-Q158 HydrophobicContact CB-CB 4.37Å; R133-Q158 PolarHBondContact N-O 3.35Å; R133-Q158 PolarHBondContact O-N 2.85Å; H135-Q158 PolarHBondContact NE2-OE1 2.88Å; E145-Q158 PolarHBondContact OE2-NE2 2.75Å; E156-Q158 HydrophobicContact CG-CG 4.21Å; E156-Q158 PolarHBondContact OE1-NE2 3.44Å; Q158-I160 HydrophobicContact CB-CD1 4.16Å; Q158-I160 WeakPolarHBondContact O-CD1 3.24Å; Q158-I182 HydrophobicContact CB-CG2 4.02Å; Q158-I182 HydrophobicContact CG-CG2 4.48Å; Q158-V183 CarbonylContact C-O 3.27Å; Q158-V183 WeakPolarHBondContact CA-O 3.32Å; Q158-W251 HydrophobicContact CG-CH2 4.17Å; Q158-W251 HydrophobicContact CG-CZ3 4.06Å
159	L	98.8	Very high	97.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	106.9	171.6	-59.9	91	0	0	0	108.1	L129 I132 V157 H161 I182 V183 I185 I226 Y227	L129-L159 HydrophobicContact CD1-CB 3.97Å; L129-L159 HydrophobicContact CD1-CD2 4.43Å; I132-L159 HydrophobicContact CD1-CD2 4.24Å; I132-L159 HydrophobicContact CG1-CD2 4.17Å; I132-L159 HydrophobicContact CG1-CG 4.12Å; I132-L159 HydrophobicContact CG2-CG 4.49Å; V157-L159 HydrophobicContact CG1-CD1 3.96Å; L159-H161 VanDerWaalsContact CB-CE1 3.44Å; L159-H161 WeakPolarHBondContact CB-CE1 3.36Å; L159-H161 PolarHBondContact O-CE1 3.19Å; L159-H161 VanDerWaalsContact O-CE1 3.31Å; L159-H161 PolarHBondContact O-ND1 2.66Å; L159-I182 WeakPolarHBondContact O-CA 3.24Å; L159-V183 HydrophobicContact CB-CB 4.24Å; L159-V183 HydrophobicContact CD1-CB 4.31Å; L159-V183 HydrophobicContact CD1-CG1 4.38Å; L159-V183 PolarHBondContact N-O 3.39Å; L159-V183 PolarHBondContact O-N 2.86Å; L159-I185 HydrophobicContact CD1-CD1 3.68Å; L159-I185 HydrophobicContact CD1-CG1 4.2Å; L159-I226 HydrophobicContact CD1-CD1 4.38Å; L159-I226 HydrophobicContact CD2-CD1 4.35Å; L159-I226 HydrophobicContact CD2-CG2 3.74Å; L159-Y227 HydrophobicContact CD2-CE2 3.9Å
160	I	98.8	Very high	97.8	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.01	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	119.8	-176.6	-58.9	92.6	0	0	0	108.6	E130 E131 R133 Q158 Y170 I182	E130-I160 PolarHBondContact N-O 3.06Å; E131-I160 HydrophobicContact CB-CB 4.49Å; E131-I160 HydrophobicContact CB-CD1 4.14Å; E131-I160 HydrophobicContact CG-CD1 4.32Å; E131-I160 PolarHBondContact N-O 3.18Å; E131-I160 WeakPolarHBondContact O-CD1 3.32Å; E131-I160 PolarHBondContact O-N 2.99Å; R133-I160 HydrophobicContact CB-CD1 3.86Å; Q158-I160 HydrophobicContact CB-CD1 4.16Å; Q158-I160 WeakPolarHBondContact O-CD1 3.24Å; I160-Y170 HydrophobicContact CG2-CD2 4.47Å; I160-Y170 HydrophobicContact CG2-CE2 3.69Å; I160-I182 HydrophobicContact CG1-CD1 4.47Å; I160-I182 HydrophobicContact CG1-CG1 4.34Å; I160-I182 HydrophobicContact CG1-CG2 4.27Å; I160-I182 HydrophobicContact CG2-CG1 4.42Å
161	H	98.8	Very high	97.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	141.8	177.9	-49.7	75.7	0	0	0	110.1	I118 H127 R128 L129 L159 L180 V181	I118-H161 HydrophobicContact CD1-CB 4.23Å; I118-H161 HydrophobicContact CG1-CB 4.36Å; H127-H161 HydrophobicContact CB-CB 3.62Å; R128-H161 CarbonylContact O-C 3.47Å; R128-H161 WeakPolarHBondContact O-CA 3.46Å; R128-H161 WeakPolarHBondContact O-CB 3.5Å; L129-H161 VanDerWaalsContact CA-CD2 3.47Å; L129-H161 WeakPolarHBondContact CA-CD2 3.42Å; L129-H161 PolarHBondContact N-CD2 3Å; L159-H161 VanDerWaalsContact CB-CE1 3.44Å; L159-H161 WeakPolarHBondContact CB-CE1 3.36Å; L159-H161 PolarHBondContact O-CE1 3.19Å; L159-H161 VanDerWaalsContact O-CE1 3.31Å; L159-H161 PolarHBondContact O-ND1 2.66Å; H161-L180 WeakPolarHBondContact O-CA 3.47Å; H161-V181 WeakPolarHBondContact CA-O 3.43Å; H161-V181 WeakPolarHBondContact CB-O 3.37Å; H161-V181 PolarHBondContact N-O 3.06Å; H161-V181 PolarHBondContact ND1-O 2.87Å; H161-V181 PolarHBondContact O-N 2.78Å
162	Y	98.7	Very high	97.9	Very high	25 Å²	25	34.4 Å²	34.4	10%	0.098	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	150.2	175	77.7	-84.3	0	0	0	112	H127 R128 E130 H164 A173 G179	H127-Y162 CarbonylContact C-O 3.36Å; H127-Y162 VanDerWaalsContact CA-O 3.26Å; H127-Y162 WeakPolarHBondContact CA-O 3.47Å; R128-Y162 HydrophobicContact CB-CD1 4.27Å; R128-Y162 HydrophobicContact CB-CE1 3.87Å; R128-Y162 HydrophobicContact CG-CE1 4.09Å; R128-Y162 PolarHBondContact N-O 3.48Å; R128-Y162 WeakPolarHBondContact O-CD1 3.3Å; R128-Y162 PolarHBondContact O-N 3.17Å; E130-Y162 HydrophobicContact CB-CD1 4.2Å; Y162-H164 HydrophobicContact CD2-CB 4.16Å; Y162-H164 HydrophobicContact CE2-CB 3.55Å; Y162-H164 PolarHBondContact O-N 3.14Å; Y162-A173 HydrophobicContact CD2-CB 4.19Å; Y162-A173 HydrophobicContact CG-CB 4.47Å; Y162-G179 CarbonylContact C-O 3.02Å; Y162-G179 WeakPolarHBondContact CA-O 3.21Å
163	N	98.6	Very high	98	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	93.2	177.3	-171.9	-22.8	0	0	0	110.5	Y125 H127 E165 L166 Y167 N178 G179	Y125-N163 WeakPolarHBondContact CB-ND2 3.43Å; Y125-N163 WeakPolarHBondContact CD2-ND2 3.25Å; H127-N163 PolarHBondContact CD2-N 2.76Å; N163-E165 VanDerWaalsContact C-N 3.29Å; N163-E165 PolarHBondContact OD1-N 3.36Å; N163-L166 WeakPolarHBondContact ND2-CD1 3.2Å; N163-L166 PolarHBondContact OD1-N 2.92Å; N163-L166 VanDerWaalsContact OD1-N 3.11Å; N163-Y167 HydrophobicContact CB-CD2 4.03Å; N163-Y167 HydrophobicContact CB-CE2 4.3Å; N163-Y167 WeakPolarHBondContact O-CD2 3.07Å; N163-Y167 PolarHBondContact O-N 2.89Å; N163-Y167 VanDerWaalsContact O-N 3.09Å; N163-N178 WeakPolarHBondContact CB-O 3.43Å; N163-N178 PolarHBondContact ND2-O 2.81Å; N163-G179 PolarHBondContact N-O 2.73Å
164	H	97.8	Very high	98	Very high	46 Å²	46	33.3 Å²	33.3	21%	0.213	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-8.3	-178.5	77.9	-74.2	0	0	0	113.8	S126 R128 Y162	S126-H164 PolarHBondContact O-CE1 2.81Å; S126-H164 PolarHBondContact O-ND1 3.17Å; S126-H164 PolarHBondContact OG-CE1 3.24Å; R128-H164 HydrophobicContact CB-CB 3.96Å; R128-H164 PolarHBondContact NH2-CD2 3.15Å; R128-H164 PolarHBondContact NH2-NE2 2.91Å; Y162-H164 HydrophobicContact CD2-CB 4.16Å; Y162-H164 HydrophobicContact CE2-CB 3.55Å; Y162-H164 PolarHBondContact O-N 3.14Å
165	E	97.9	Very high	97.9	Very high	108 Å²	108	39 Å²	39	51%	0.505	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-30.7	173.8	-67.8	-179.3	171	0	0	111.3	Y125 S126 N163	Y125-E165 WeakPolarHBondContact CA-OE2 3.03Å; Y125-E165 WeakPolarHBondContact CB-OE2 3.39Å; Y125-E165 HydrophobicContact CD1-CB 4.46Å; Y125-E165 WeakPolarHBondContact CD1-OE2 3.34Å; S126-E165 WeakPolarHBondContact CB-OE1 3.44Å; S126-E165 PolarHBondContact N-OE1 2.92Å; S126-E165 PolarHBondContact N-OE2 3.45Å; N163-E165 VanDerWaalsContact C-N 3.29Å; N163-E165 PolarHBondContact OD1-N 3.36Å
166	L	97.9	Very high	97.8	Very high	77 Å²	77	40 Å²	40	40%	0.403	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100	-29.7	179.8	-63.6	-172.7	0	0	0	114.3	Y125 N163	Y125-L166 HydrophobicContact CD1-CD2 4.35Å; Y125-L166 HydrophobicContact CD1-CG 4.24Å; Y125-L166 HydrophobicContact CD2-CD1 4.2Å; Y125-L166 HydrophobicContact CE1-CD1 4.16Å; Y125-L166 HydrophobicContact CE1-CD2 3.85Å; Y125-L166 HydrophobicContact CE1-CG 4.09Å; Y125-L166 HydrophobicContact CE2-CD1 3.8Å; N163-L166 WeakPolarHBondContact ND2-CD1 3.2Å; N163-L166 PolarHBondContact OD1-N 2.92Å; N163-L166 VanDerWaalsContact OD1-N 3.11Å
167	Y	98.2	Very high	97.7	Very high	39 Å²	39	44.5 Å²	44.5	15%	0.153	23%	0.232	C	C	.	.			trans	-127.7	147.8	-170.3	-53.7	-67.4	0	0	0	112.1	N163 N169 E172 A173 S176 P177	N163-Y167 HydrophobicContact CB-CD2 4.03Å; N163-Y167 HydrophobicContact CB-CE2 4.3Å; N163-Y167 WeakPolarHBondContact O-CD2 3.07Å; N163-Y167 PolarHBondContact O-N 2.89Å; N163-Y167 VanDerWaalsContact O-N 3.09Å; Y167-N169 VanDerWaalsContact C-N 3.31Å; Y167-N169 PolarHBondContact O-N 3.41Å; Y167-E172 HydrophobicContact CD1-CG 3.92Å; Y167-E172 HydrophobicContact CG-CG 4.45Å; Y167-A173 HydrophobicContact CD2-CB 3.57Å; Y167-A173 HydrophobicContact CE2-CB 4.45Å; Y167-A173 HydrophobicContact CG-CB 3.9Å; Y167-S176 VanDerWaalsContact OH-CB 3.23Å; Y167-S176 WeakPolarHBondContact OH-CB 3.49Å; Y167-P177 PolarHBondContact OH-O 2.79Å
168	T	96.4	Very high	97.5	Very high	117 Å²	117	48.8 Å²	48.8	72%	0.718	26%	0.255	S	S	*	.	S	Bend	trans	-69.1	-33.6	-174.8	-52.6	0	0	0	0	111.9	E172	T168-E172 PolarHBondContact N-OE2 3.31Å; T168-E172 VanDerWaalsContact N-OE2 3.1Å; T168-E172 PolarHBondContact OG1-OE2 2.95Å
169	N	96.2	Very high	97.4	Very high	68 Å²	68	48.8 Å²	48.8	36%	0.364	26%	0.255	S	S	.	.	S	Bend	trans	-156	167.5	-175.3	58.3	65.6	0	0	0	111.8	Y167 T171 E172 A173	Y167-N169 VanDerWaalsContact C-N 3.31Å; Y167-N169 PolarHBondContact O-N 3.41Å; N169-T171 VanDerWaalsContact C-N 3.3Å; N169-T171 PolarHBondContact O-N 3.27Å; N169-T171 VanDerWaalsContact OD1-CB 3.31Å; N169-T171 WeakPolarHBondContact OD1-CB 3.43Å; N169-T171 PolarHBondContact OD1-N 3.22Å; N169-T171 VanDerWaalsContact OD1-N 3.08Å; N169-E172 PolarHBondContact O-N 2.83Å; N169-E172 PolarHBondContact OD1-N 3.39Å; N169-A173 WeakPolarHBondContact O-CB 3.1Å; N169-A173 PolarHBondContact O-N 3.47Å
170	Y	96.7	Very high	97.4	Very high	40 Å²	40	48.8 Å²	48.8	16%	0.157	26%	0.255	C	S	.	.	H	α-helix	trans	-53.5	-41.8	176.4	172.1	-96	0	0	0	113.5	E130 I160 E172 A173 A174 L180 M240	E130-Y170 HydrophobicContact CB-CD2 4.12Å; E130-Y170 HydrophobicContact CG-CD1 4.45Å; E130-Y170 HydrophobicContact CG-CD2 3.78Å; E130-Y170 HydrophobicContact CG-CE2 4.42Å; E130-Y170 HydrophobicContact CG-CG 3.79Å; I160-Y170 HydrophobicContact CG2-CD2 4.47Å; I160-Y170 HydrophobicContact CG2-CE2 3.69Å; Y170-E172 VanDerWaalsContact C-N 3.31Å; Y170-E172 PolarHBondContact O-N 2.82Å; Y170-A173 PolarHBondContact O-N 2.96Å; Y170-A174 HydrophobicContact CE1-CB 4.25Å; Y170-A174 HydrophobicContact CE2-CB 4.36Å; Y170-A174 VanDerWaalsContact O-CB 3.22Å; Y170-A174 WeakPolarHBondContact O-CB 3.15Å; Y170-A174 PolarHBondContact O-N 2.81Å; Y170-L180 HydrophobicContact CD2-CD2 3.8Å; Y170-L180 HydrophobicContact CE2-CD1 4.37Å; Y170-L180 HydrophobicContact CE2-CD2 3.58Å; Y170-M240 WeakPolarHBondContact OH-CE 3.27Å
171	T	96.3	Very high	97.4	Very high	88 Å²	88	48.8 Å²	48.8	54%	0.54	26%	0.255	S	S	.	.	H	α-helix	trans	-62.1	-39.4	-176.8	-54.2	0	0	0	0	112.3	N169	N169-T171 VanDerWaalsContact C-N 3.3Å; N169-T171 PolarHBondContact O-N 3.27Å; N169-T171 VanDerWaalsContact OD1-CB 3.31Å; N169-T171 WeakPolarHBondContact OD1-CB 3.43Å; N169-T171 PolarHBondContact OD1-N 3.22Å; N169-T171 VanDerWaalsContact OD1-N 3.08Å
172	E	97.8	Very high	97.4	Very high	74 Å²	74	49 Å²	49	35%	0.346	26%	0.256	S	S	.	.	H	α-helix	trans	-71.8	-46	174.7	-174.4	-177.8	-168.4	0	0	111.5	Y167 T168 N169 Y170 A174 K175 S176	Y167-E172 HydrophobicContact CD1-CG 3.92Å; Y167-E172 HydrophobicContact CG-CG 4.45Å; T168-E172 PolarHBondContact N-OE2 3.31Å; T168-E172 VanDerWaalsContact N-OE2 3.1Å; T168-E172 PolarHBondContact OG1-OE2 2.95Å; N169-E172 PolarHBondContact O-N 2.83Å; N169-E172 PolarHBondContact OD1-N 3.39Å; Y170-E172 VanDerWaalsContact C-N 3.31Å; Y170-E172 PolarHBondContact O-N 2.82Å; E172-A174 PolarHBondContact O-N 3.44Å; E172-K175 VanDerWaalsContact O-CG 3.25Å; E172-K175 WeakPolarHBondContact O-CG 3.23Å; E172-K175 PolarHBondContact O-N 3.05Å; E172-S176 WeakPolarHBondContact O-CB 3.35Å; E172-S176 PolarHBondContact O-OG 3.47Å
173	A	98.2	Very high	97.4	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62.3	-42.7	-179.3	0	0	0	0	0	112.2	Y162 Y167 N169 Y170 K175 S176 G179	Y162-A173 HydrophobicContact CD2-CB 4.19Å; Y162-A173 HydrophobicContact CG-CB 4.47Å; Y167-A173 HydrophobicContact CD2-CB 3.57Å; Y167-A173 HydrophobicContact CE2-CB 4.45Å; Y167-A173 HydrophobicContact CG-CB 3.9Å; N169-A173 WeakPolarHBondContact O-CB 3.1Å; N169-A173 PolarHBondContact O-N 3.47Å; Y170-A173 PolarHBondContact O-N 2.96Å; A173-K175 PolarHBondContact O-N 3.14Å; A173-S176 PolarHBondContact O-N 3.07Å; A173-G179 VanDerWaalsContact O-CA 3.28Å; A173-G179 WeakPolarHBondContact O-CA 3.28Å
174	A	97.4	Very high	97.4	Very high	5 Å²	5	47.8 Å²	47.8	4%	0.041	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-26.5	-174.4	0	0	0	0	0	113.9	Y170 E172 L180 M240 F246 T248	Y170-A174 HydrophobicContact CE1-CB 4.25Å; Y170-A174 HydrophobicContact CE2-CB 4.36Å; Y170-A174 VanDerWaalsContact O-CB 3.22Å; Y170-A174 WeakPolarHBondContact O-CB 3.15Å; Y170-A174 PolarHBondContact O-N 2.81Å; E172-A174 PolarHBondContact O-N 3.44Å; A174-L180 HydrophobicContact CB-CD1 4.1Å; A174-L180 HydrophobicContact CB-CD2 4.38Å; A174-L180 HydrophobicContact CB-CG 4.49Å; A174-M240 HydrophobicContact CB-SD 4.3Å; A174-F246 HydrophobicContact CB-CD2 4.47Å; A174-F246 WeakPolarHBondContact O-CB 3.04Å; A174-F246 WeakPolarHBondContact O-CD2 3.36Å; A174-F246 WeakPolarHBondContact O-CG 3.41Å; A174-T248 WeakPolarHBondContact O-CG2 3.09Å; A174-T248 PolarHBondContact O-OG1 2.76Å
175	K	96.3	Very high	97.4	Very high	131 Å²	131	45.6 Å²	45.6	57%	0.57	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.8	2.6	177.9	62.7	177.4	179.2	177.9	0	113.9	E172 A173 F246	E172-K175 VanDerWaalsContact O-CG 3.25Å; E172-K175 WeakPolarHBondContact O-CG 3.23Å; E172-K175 PolarHBondContact O-N 3.05Å; A173-K175 PolarHBondContact O-N 3.14Å; K175-F246 HydrophobicContact CB-CD1 4.43Å; K175-F246 HydrophobicContact CB-CD2 4.34Å; K175-F246 HydrophobicContact CB-CE1 4.18Å; K175-F246 HydrophobicContact CB-CE2 4.07Å; K175-F246 HydrophobicContact CB-CZ 3.99Å
176	S	97.6	Very high	97.5	Very high	20 Å²	20	40.6 Å²	40.6	14%	0.14	22%	0.218	C	C	.	.	S	Bend	trans	-117.9	152.7	-169.2	-54.7	0	0	0	0	112.2	Y167 E172 A173 G179 T248	Y167-S176 VanDerWaalsContact OH-CB 3.23Å; Y167-S176 WeakPolarHBondContact OH-CB 3.49Å; E172-S176 WeakPolarHBondContact O-CB 3.35Å; E172-S176 PolarHBondContact O-OG 3.47Å; A173-S176 PolarHBondContact O-N 3.07Å; S176-G179 WeakPolarHBondContact O-CA 3.16Å; S176-G179 PolarHBondContact O-N 2.74Å; S176-T248 WeakPolarHBondContact O-CB 3.4Å; S176-T248 VanDerWaalsContact O-CG2 3.23Å; S176-T248 WeakPolarHBondContact O-CG2 3.34Å
177	P	95.1	Very high	97.5	Very high	94 Å²	94	36.9 Å²	36.9	61%	0.61	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	144.9	179.2	-24.4	34.5	0	0	0	112.8	Y167 G179	Y167-P177 PolarHBondContact OH-O 2.79Å; P177-G179 PolarHBondContact O-N 2.84Å; P177-G179 VanDerWaalsContact O-N 3.09Å
178	N	94.4	Very high	97.4	Very high	91 Å²	91	37.8 Å²	37.8	49%	0.487	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	29.8	-176	-52.2	-41.1	0	0	0	112.8	Y125 N163	Y125-N178 HydrophobicContact CE2-CB 4.4Å; N163-N178 WeakPolarHBondContact CB-O 3.43Å; N163-N178 PolarHBondContact ND2-O 2.81Å
179	G	97.7	Very high	97.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.176	C	C	.	.			trans	-81	-37.8	-169.7	0	0	0	0	0	113.2	Y162 N163 A173 S176 P177	Y162-G179 CarbonylContact C-O 3.02Å; Y162-G179 WeakPolarHBondContact CA-O 3.21Å; N163-G179 PolarHBondContact N-O 2.73Å; A173-G179 VanDerWaalsContact O-CA 3.28Å; A173-G179 WeakPolarHBondContact O-CA 3.28Å; S176-G179 WeakPolarHBondContact O-CA 3.16Å; S176-G179 PolarHBondContact O-N 2.74Å; P177-G179 PolarHBondContact O-N 2.84Å; P177-G179 VanDerWaalsContact O-N 3.09Å
180	L	98.6	Very high	97.4	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	144.1	-172.9	-58.5	179	0	0	0	112.2	H161 Y170 A174 M240 T248 A249 T250	H161-L180 WeakPolarHBondContact O-CA 3.47Å; Y170-L180 HydrophobicContact CD2-CD2 3.8Å; Y170-L180 HydrophobicContact CE2-CD1 4.37Å; Y170-L180 HydrophobicContact CE2-CD2 3.58Å; A174-L180 HydrophobicContact CB-CD1 4.1Å; A174-L180 HydrophobicContact CB-CD2 4.38Å; A174-L180 HydrophobicContact CB-CG 4.49Å; L180-M240 HydrophobicContact CD1-CG 3.76Å; L180-M240 HydrophobicContact CD1-SD 3.94Å; L180-T248 PolarHBondContact N-O 3.46Å; L180-A249 HydrophobicContact CB-CB 4.08Å; L180-A249 WeakPolarHBondContact O-CA 3.47Å; L180-T250 PolarHBondContact O-N 2.8Å
181	V	98.8	Very high	97.4	Very high	2 Å²	2	39 Å²	39	1%	0.012	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	127.6	163	172.6	0	0	0	0	107.9	I118 M123 H127 H161 T250 I252	I118-V181 HydrophobicContact CD1-CB 4.41Å; I118-V181 HydrophobicContact CD1-CG1 3.79Å; M123-V181 HydrophobicContact CG-CG1 4.28Å; M123-V181 HydrophobicContact CG-CG2 3.7Å; M123-V181 HydrophobicContact SD-CB 4.12Å; M123-V181 HydrophobicContact SD-CG1 3.75Å; M123-V181 HydrophobicContact SD-CG2 3.78Å; H127-V181 HydrophobicContact CB-CB 4.41Å; H127-V181 VanDerWaalsContact CD2-CG2 3.47Å; H127-V181 WeakPolarHBondContact CD2-CG2 3.41Å; H127-V181 WeakPolarHBondContact NE2-CG2 3.49Å; H161-V181 WeakPolarHBondContact CA-O 3.43Å; H161-V181 WeakPolarHBondContact CB-O 3.37Å; H161-V181 PolarHBondContact N-O 3.06Å; H161-V181 PolarHBondContact ND1-O 2.87Å; H161-V181 PolarHBondContact O-N 2.78Å; V181-T250 WeakPolarHBondContact CA-O 3.47Å; V181-I252 HydrophobicContact CG1-CD1 3.7Å; V181-I252 HydrophobicContact CG1-CG1 4.25Å
182	I	98.8	Very high	97.4	Very high	3 Å²	3	40 Å²	40	2%	0.015	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	114.7	-179.6	-52.6	175.3	0	0	0	108.9	Q158 L159 I160 A249 T250 W251 I252	Q158-I182 HydrophobicContact CB-CG2 4.02Å; Q158-I182 HydrophobicContact CG-CG2 4.48Å; L159-I182 WeakPolarHBondContact O-CA 3.24Å; I160-I182 HydrophobicContact CG1-CD1 4.47Å; I160-I182 HydrophobicContact CG1-CG1 4.34Å; I160-I182 HydrophobicContact CG1-CG2 4.27Å; I160-I182 HydrophobicContact CG2-CG1 4.42Å; I182-A249 HydrophobicContact CD1-CB 3.82Å; I182-A249 HydrophobicContact CG1-CB 4.24Å; I182-T250 PolarHBondContact N-O 3.2Å; I182-W251 HydrophobicContact CB-CD2 4.08Å; I182-W251 HydrophobicContact CB-CE3 3.89Å; I182-W251 HydrophobicContact CB-CH2 4.1Å; I182-W251 HydrophobicContact CB-CZ2 4.24Å; I182-W251 HydrophobicContact CB-CZ3 3.91Å; I182-W251 HydrophobicContact CD1-CH2 4.01Å; I182-W251 HydrophobicContact CD1-CZ2 3.61Å; I182-W251 HydrophobicContact CG2-CD2 4.42Å; I182-W251 HydrophobicContact CG2-CE3 3.8Å; I182-W251 HydrophobicContact CG2-CH2 3.55Å; I182-W251 HydrophobicContact CG2-CZ2 4.17Å; I182-W251 HydrophobicContact CG2-CZ3 3.33Å; I182-W251 WeakPolarHBondContact O-CA 3.22Å; I182-I252 PolarHBondContact O-N 3.19Å
183	V	98.9	Very high	97.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	118.5	171.7	-178.3	0	0	0	0	108	I118 Q158 L159 I185 Y227 I252 M254	I118-V183 HydrophobicContact CD1-CG2 3.89Å; Q158-V183 CarbonylContact C-O 3.27Å; Q158-V183 WeakPolarHBondContact CA-O 3.32Å; L159-V183 HydrophobicContact CB-CB 4.24Å; L159-V183 HydrophobicContact CD1-CB 4.31Å; L159-V183 HydrophobicContact CD1-CG1 4.38Å; L159-V183 PolarHBondContact N-O 3.39Å; L159-V183 PolarHBondContact O-N 2.86Å; V183-I185 HydrophobicContact CG1-CD1 4.39Å; V183-I185 HydrophobicContact CG1-CG1 4.12Å; V183-Y227 HydrophobicContact CG1-CE1 3.93Å; V183-Y227 HydrophobicContact CG2-CE1 4.4Å; V183-I252 CarbonylContact C-O 3.51Å; V183-I252 WeakPolarHBondContact CA-O 3.44Å; V183-I252 HydrophobicContact CG2-CB 4.32Å; V183-M254 HydrophobicContact CG1-CG 3.7Å; V183-M254 HydrophobicContact CG1-SD 4.12Å
184	S	98.7	Very high	97.1	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.007	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	133.4	177.3	175	0	0	0	0	110.2	E156 V157 I252 L253 M254	E156-S184 VanDerWaalsContact CG-OG 3.32Å; E156-S184 WeakPolarHBondContact CG-OG 3.26Å; E156-S184 PolarHBondContact OE1-OG 3.23Å; V157-S184 CarbonylContact O-C 3.54Å; V157-S184 WeakPolarHBondContact O-CA 3.48Å; S184-I252 PolarHBondContact N-O 3.24Å; S184-L253 WeakPolarHBondContact O-CA 3.44Å; S184-M254 PolarHBondContact O-N 2.91Å
185	I	98.6	Very high	97	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	117.7	-180	-44.6	172.8	0	0	0	108.2	V157 L159 V183 I226 P228 M254 V258	V157-I185 HydrophobicContact CB-CB 4.41Å; V157-I185 PolarHBondContact N-O 2.88Å; V157-I185 PolarHBondContact O-N 2.04Å; L159-I185 HydrophobicContact CD1-CD1 3.68Å; L159-I185 HydrophobicContact CD1-CG1 4.2Å; V183-I185 HydrophobicContact CG1-CD1 4.39Å; V183-I185 HydrophobicContact CG1-CG1 4.12Å; I185-I226 WeakPolarHBondContact CD1-O 3.43Å; I185-P228 HydrophobicContact CG2-CG 4.14Å; I185-M254 HydrophobicContact CD1-CG 4.34Å; I185-M254 HydrophobicContact CG1-CB 4.16Å; I185-M254 HydrophobicContact CG1-CG 3.81Å; I185-M254 HydrophobicContact CG2-CB 4.45Å; I185-V258 HydrophobicContact CG2-CB 4.38Å; I185-V258 HydrophobicContact CG2-CG1 3.86Å; I185-V258 HydrophobicContact CG2-CG2 4.09Å
186	F	98.6	Very high	97	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.009	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	145.8	176.9	-66.6	-51.9	0	0	0	111.9	H146 L148 F153 E156 L253 P257 V258 Y321	H146-F186 HydrophobicContact CB-CE1 3.75Å; H146-F186 HydrophobicContact CB-CZ 3.78Å; H146-F186 WeakPolarHBondContact O-CE1 3.08Å; L148-F186 HydrophobicContact CB-CE2 4.47Å; F153-F186 HydrophobicContact CB-CB 3.99Å; F153-F186 HydrophobicContact CB-CD1 4.08Å; F153-F186 HydrophobicContact CB-CG 4.19Å; F153-F186 HydrophobicContact CD1-CB 3.77Å; F153-F186 HydrophobicContact CD1-CG 4.26Å; F153-F186 HydrophobicContact CD2-CB 3.82Å; F153-F186 AromaticContact CD2-CD1 3.57Å; F153-F186 HydrophobicContact CD2-CD1 3.57Å; F153-F186 AromaticContact CD2-CD2 3.54Å; F153-F186 HydrophobicContact CD2-CD2 3.54Å; F153-F186 AromaticContact CD2-CE1 3.95Å; F153-F186 HydrophobicContact CD2-CE1 3.95Å; F153-F186 AromaticContact CD2-CE2 3.95Å; F153-F186 HydrophobicContact CD2-CE2 3.95Å; F153-F186 AromaticContact CD2-CG 3.36Å; F153-F186 HydrophobicContact CD2-CG 3.36Å; F153-F186 HydrophobicContact CD2-CZ 4.14Å; F153-F186 HydrophobicContact CE1-CB 4.19Å; F153-F186 HydrophobicContact CE1-CD2 4.5Å; F153-F186 HydrophobicContact CE2-CB 4.24Å; F153-F186 HydrophobicContact CE2-CD1 4.27Å; F153-F186 AromaticContact CE2-CD2 3.37Å; F153-F186 HydrophobicContact CE2-CD2 3.37Å; F153-F186 HydrophobicContact CE2-CE1 4.5Å; F153-F186 AromaticContact CE2-CE2 3.69Å; F153-F186 HydrophobicContact CE2-CE2 3.69Å; F153-F186 AromaticContact CE2-CG 3.72Å; F153-F186 HydrophobicContact CE2-CG 3.72Å; F153-F186 HydrophobicContact CE2-CZ 4.25Å; F153-F186 HydrophobicContact CG-CB 3.57Å; F153-F186 AromaticContact CG-CD1 3.97Å; F153-F186 HydrophobicContact CG-CD1 3.97Å; F153-F186 HydrophobicContact CG-CD2 4.21Å; F153-F186 AromaticContact CG-CG 3.67Å; F153-F186 HydrophobicContact CG-CG 3.67Å; F153-F186 HydrophobicContact CZ-CB 4.4Å; F153-F186 AromaticContact CZ-CD2 3.9Å; F153-F186 HydrophobicContact CZ-CD2 3.9Å; F153-F186 HydrophobicContact CZ-CG 4.29Å; E156-F186 HydrophobicContact CG-CD1 4.46Å; F186-L253 HydrophobicContact CZ-CD2 4.28Å; F186-P257 HydrophobicContact CB-CB 4.23Å; F186-P257 CarbonylContact O-C 3.48Å; F186-P257 WeakPolarHBondContact O-CA 3.03Å; F186-P257 WeakPolarHBondContact O-CB 3.15Å; F186-V258 WeakPolarHBondContact O-CG2 3.41Å; F186-V258 PolarHBondContact O-N 3.03Å; F186-Y321 AromaticContact CD2-CD1 3.81Å; F186-Y321 HydrophobicContact CD2-CD1 3.81Å; F186-Y321 AromaticContact CD2-CE1 3.39Å; F186-Y321 HydrophobicContact CD2-CE1 3.39Å; F186-Y321 AromaticContact CD2-CZ 3.98Å; F186-Y321 HydrophobicContact CE2-CD1 4.39Å; F186-Y321 AromaticContact CE2-CE1 3.92Å; F186-Y321 HydrophobicContact CE2-CE1 3.92Å; F186-Y321 HydrophobicContact CG-CE1 4.5Å
187	M	98.1	Very high	96.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	121.4	174	-65.1	-160.4	-70.7	0	0	110	L134 H135 F136 S154 G155 V157 V258 L260	L134-M187 HydrophobicContact CD2-SD 4.26Å; H135-M187 WeakPolarHBondContact O-CE 3.41Å; F136-M187 HydrophobicContact CB-CE 4.2Å; S154-M187 PolarHBondContact N-O 2.96Å; G155-M187 PolarHBondContact O-N 3.2Å; V157-M187 HydrophobicContact CG2-CG 3.66Å; V157-M187 HydrophobicContact CG2-SD 3.76Å; M187-V258 WeakPolarHBondContact CA-O 3.41Å; M187-V258 HydrophobicContact CG-CG2 3.87Å; M187-L260 HydrophobicContact CB-CD2 3.73Å; M187-L260 HydrophobicContact CG-CD2 4.49Å; M187-L260 HydrophobicContact SD-CD2 4.47Å
188	K	96.2	Very high	97	Very high	58 Å²	58	33.5 Å²	33.5	25%	0.252	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	134.4	177.4	-175.1	173.3	174.4	-175.8	0	110.8	F153 P257 V258 Y259 L260 R322	F153-K188 HydrophobicContact CD1-CB 4.41Å; K188-P257 HydrophobicContact CB-CB 3.91Å; K188-P257 HydrophobicContact CB-CG 4.01Å; K188-P257 HydrophobicContact CD-CG 4.41Å; K188-V258 PolarHBondContact N-O 3.13Å; K188-Y259 HydrophobicContact CB-CD1 4.18Å; K188-Y259 HydrophobicContact CB-CE1 4.22Å; K188-Y259 HydrophobicContact CD-CE1 4.15Å; K188-Y259 HydrophobicContact CG-CE1 4.36Å; K188-Y259 VanDerWaalsContact O-CA 3.32Å; K188-Y259 WeakPolarHBondContact O-CA 3.42Å; K188-L260 PolarHBondContact O-N 2.77Å; K188-L260 VanDerWaalsContact O-N 3.16Å; K188-R322 PolarHBondContact NZ-O 3.02Å
189	I	96.9	Very high	97	Very high	28 Å²	28	34.3 Å²	34.3	14%	0.144	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	132.6	177	-61.9	167	0	0	0	109.8	D140 L260 R262 M265	D140-I189 HydrophobicContact CB-CD1 4.1Å; D140-I189 WeakPolarHBondContact OD1-CD1 3.34Å; D140-I189 VanDerWaalsContact OD2-CD1 3.3Å; D140-I189 WeakPolarHBondContact OD2-CD1 3.41Å; I189-L260 CarbonylContact C-O 3.55Å; I189-L260 VanDerWaalsContact CA-O 3.29Å; I189-L260 WeakPolarHBondContact CA-O 3.1Å; I189-R262 HydrophobicContact CG2-CB 4.14Å; I189-M265 HydrophobicContact CD1-CB 4.18Å; I189-M265 HydrophobicContact CD1-CG 4.01Å; I189-M265 HydrophobicContact CG1-CB 4.27Å; I189-M265 HydrophobicContact CG1-CG 4.43Å
190	A	96.4	Very high	96.9	Very high	35 Å²	35	34.3 Å²	34.3	29%	0.289	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	179.1	174.7	0	0	0	0	0	111.2	Y259 L260 T261	A190-Y259 HydrophobicContact CB-CD1 3.64Å; A190-Y259 HydrophobicContact CB-CE1 4.47Å; A190-Y259 HydrophobicContact CB-CG 4.17Å; A190-L260 PolarHBondContact N-O 3.26Å; A190-T261 WeakPolarHBondContact O-CA 3.45Å
191	E	96.1	Very high	96.8	Very high	188 Å²	188	34.5 Å²	34.5	88%	0.879	18%	0.183	S	C	*	.	S	Bend	trans	-68.3	-36.9	175.8	-65.3	-178.8	174.3	0	0	112.1	T261	E191-T261 WeakPolarHBondContact O-CG2 3.4Å
192	T	95.3	Very high	96.6	Very high	109 Å²	109	36.9 Å²	36.9	67%	0.669	20%	0.195	S	C	*	.	S	Bend	trans	-118.6	153.3	179.5	59.3	0	0	0	0	110.9
193	S	96	Very high	96.3	Very high	15 Å²	15	46.4 Å²	46.4	11%	0.105	23%	0.231	C	C	.	.			trans	-115.7	152.3	-179	173.7	0	0	0	0	110.7	N198 Y259 Q264	S193-N198 WeakPolarHBondContact CB-OD1 3.48Å; S193-N198 PolarHBondContact O-ND2 3.23Å; S193-N198 PolarHBondContact OG-OD1 3.22Å; S193-Y259 VanDerWaalsContact CA-O 3.24Å; S193-Y259 WeakPolarHBondContact CA-O 3.42Å; S193-Y259 PolarHBondContact OG-O 2.93Å; S193-Q264 PolarHBondContact OG-NE2 3.36Å; S193-Q264 PolarHBondContact OG-OE1 3.08Å
194	N	94.4	Very high	96	Very high	32 Å²	32	51.9 Å²	51.9	17%	0.171	26%	0.261	C	S	.	.			trans	-70.8	151.4	176.7	70.6	-60.6	0	0	0	111.4	F196 L197 N198 E225 Y259	N194-F196 VanDerWaalsContact C-N 3.26Å; N194-F196 PolarHBondContact O-N 3.28Å; N194-L197 PolarHBondContact O-N 3.12Å; N194-L197 WeakPolarHBondContact OD1-CB 3.44Å; N194-L197 VanDerWaalsContact OD1-CD1 3.22Å; N194-L197 WeakPolarHBondContact OD1-CD1 3.45Å; N194-L197 WeakPolarHBondContact OD1-CG 3.47Å; N194-N198 PolarHBondContact O-N 3.17Å; N194-N198 PolarHBondContact O-ND2 2.82Å; N194-E225 PolarHBondContact ND2-O 2.71Å; N194-Y259 PolarHBondContact N-O 3.29Å; N194-Y259 VanDerWaalsContact N-O 3.1Å; N194-Y259 PolarHBondContact OD1-O 2.65Å; N194-Y259 VanDerWaalsContact OD1-O 3.12Å
195	S	95.1	Very high	95.8	Very high	71 Å²	71	52.1 Å²	52.1	50%	0.497	26%	0.262	S	S	.	.	H	α-helix	trans	-54.3	-38.9	-173.3	-60.5	0	0	0	0	113.7	N198 R199 E225	S195-N198 PolarHBondContact O-N 3.35Å; S195-R199 PolarHBondContact O-N 2.94Å; S195-E225 WeakPolarHBondContact CB-OE2 3.41Å
196	F	96.6	Very high	95.6	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.009	26%	0.264	C	S	.	.	H	α-helix	trans	-60.7	-51.5	175.9	-175.2	-89.6	0	0	0	112.1	L108 I132 N194 N198 R199 M200 L221 N222 I223 E225 I226	L108-F196 HydrophobicContact CD2-CZ 3.77Å; I132-F196 HydrophobicContact CD1-CE2 4.49Å; I132-F196 HydrophobicContact CD1-CZ 3.78Å; N194-F196 VanDerWaalsContact C-N 3.26Å; N194-F196 PolarHBondContact O-N 3.28Å; F196-N198 VanDerWaalsContact C-N 3.32Å; F196-N198 PolarHBondContact O-N 3.22Å; F196-R199 PolarHBondContact O-N 3.08Å; F196-M200 HydrophobicContact CE1-CB 4.44Å; F196-M200 HydrophobicContact CE1-SD 3.77Å; F196-M200 HydrophobicContact CZ-SD 4.46Å; F196-M200 WeakPolarHBondContact O-CB 3.08Å; F196-M200 PolarHBondContact O-N 3.07Å; F196-L221 HydrophobicContact CE2-CB 4.32Å; F196-L221 HydrophobicContact CE2-CD2 4.29Å; F196-N222 WeakPolarHBondContact CD2-O 3.16Å; F196-I223 HydrophobicContact CE2-CD1 3.79Å; F196-E225 HydrophobicContact CB-CB 3.89Å; F196-I226 HydrophobicContact CB-CB 4.16Å; F196-I226 HydrophobicContact CD1-CB 3.84Å; F196-I226 HydrophobicContact CD1-CD1 3.6Å; F196-I226 HydrophobicContact CD1-CG1 3.59Å; F196-I226 HydrophobicContact CD2-CB 4.15Å; F196-I226 HydrophobicContact CE1-CB 4.28Å; F196-I226 HydrophobicContact CE1-CD1 3.34Å; F196-I226 HydrophobicContact CE1-CG1 3.91Å; F196-I226 HydrophobicContact CG-CB 3.77Å; F196-I226 HydrophobicContact CG-CD1 4.36Å; F196-I226 HydrophobicContact CG-CG1 4.06Å; F196-I226 HydrophobicContact CZ-CD1 3.91Å
197	L	96.5	Very high	95.5	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-69	-29.8	179.1	-67.2	-174.9	0	0	0	112.1	N194 R199 M200 L201 V258 L260 Q264	N194-L197 PolarHBondContact O-N 3.12Å; N194-L197 WeakPolarHBondContact OD1-CB 3.44Å; N194-L197 VanDerWaalsContact OD1-CD1 3.22Å; N194-L197 WeakPolarHBondContact OD1-CD1 3.45Å; N194-L197 WeakPolarHBondContact OD1-CG 3.47Å; L197-R199 VanDerWaalsContact C-N 3.33Å; L197-R199 PolarHBondContact O-N 2.84Å; L197-M200 HydrophobicContact CD2-SD 4.48Å; L197-M200 PolarHBondContact O-N 3.26Å; L197-L201 HydrophobicContact CB-CD1 4.36Å; L197-L201 HydrophobicContact CD2-CD1 4.05Å; L197-L201 HydrophobicContact CD2-CG 4.48Å; L197-L201 WeakPolarHBondContact O-CA 3.28Å; L197-L201 VanDerWaalsContact O-CB 3.26Å; L197-L201 WeakPolarHBondContact O-CB 3.43Å; L197-L201 PolarHBondContact O-N 3.49Å; L197-V258 HydrophobicContact CD1-CB 4.3Å; L197-V258 HydrophobicContact CD1-CG2 4.1Å; L197-L260 HydrophobicContact CD1-CB 4.03Å; L197-Q264 PolarHBondContact O-NE2 2.97Å
198	N	95.8	Very high	95.5	Very high	67 Å²	67	63.6 Å²	63.6	36%	0.358	31%	0.314	S	S	.	.	H	α-helix	trans	-61.2	-40.9	170.3	-74.5	-32.2	0	0	0	112.5	S193 N194 S195 F196 N202 Q264	S193-N198 WeakPolarHBondContact CB-OD1 3.48Å; S193-N198 PolarHBondContact O-ND2 3.23Å; S193-N198 PolarHBondContact OG-OD1 3.22Å; N194-N198 PolarHBondContact O-N 3.17Å; N194-N198 PolarHBondContact O-ND2 2.82Å; S195-N198 PolarHBondContact O-N 3.35Å; F196-N198 VanDerWaalsContact C-N 3.32Å; F196-N198 PolarHBondContact O-N 3.22Å; N198-N202 VanDerWaalsContact O-CB 3.31Å; N198-N202 WeakPolarHBondContact O-CB 3.26Å; N198-N202 PolarHBondContact O-N 3.41Å; N198-N202 PolarHBondContact O-ND2 3.18Å; N198-N202 VanDerWaalsContact O-ND2 3.13Å; N198-Q264 PolarHBondContact OD1-NE2 3.29Å
199	R	95.1	Very high	95.5	Very high	108 Å²	108	60.9 Å²	60.9	41%	0.408	30%	0.302	S	S	.	.	H	α-helix	trans	-74.1	-37.7	176.2	-178.9	162.7	-90.3	-134.3	-5.9	112.3	S195 F196 L197 N202 T205 T219 G220 L221	S195-R199 PolarHBondContact O-N 2.94Å; F196-R199 PolarHBondContact O-N 3.08Å; L197-R199 VanDerWaalsContact C-N 3.33Å; L197-R199 PolarHBondContact O-N 2.84Å; R199-N202 PolarHBondContact O-ND2 3.26Å; R199-T205 PolarHBondContact O-OG1 3.4Å; R199-T219 PolarHBondContact NH1-O 2.78Å; R199-G220 VanDerWaalsContact NH1-C 3.26Å; R199-G220 PolarHBondContact NH1-O 3.05Å; R199-L221 HydrophobicContact CB-CD2 4.36Å; R199-L221 HydrophobicContact CG-CD2 3.78Å
200	M	95.8	Very high	95.6	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-76.3	-37	-178.7	-174.3	-178.9	173.2	0	0	113.2	M99 V106 L108 L134 F196 L197 T205 L218	M99-M200 HydrophobicContact CG-CE 4.3Å; M99-M200 HydrophobicContact SD-CE 3.76Å; M99-M200 HydrophobicContact SD-CG 3.82Å; V106-M200 HydrophobicContact CG1-CE 3.75Å; L108-M200 HydrophobicContact CB-CE 4.16Å; L108-M200 HydrophobicContact CD2-SD 4.37Å; L134-M200 HydrophobicContact CD1-CE 3.67Å; L134-M200 HydrophobicContact CD1-SD 4.4Å; L134-M200 HydrophobicContact CG-CE 4.09Å; F196-M200 HydrophobicContact CE1-CB 4.44Å; F196-M200 HydrophobicContact CE1-SD 3.77Å; F196-M200 HydrophobicContact CZ-SD 4.46Å; F196-M200 WeakPolarHBondContact O-CB 3.08Å; F196-M200 PolarHBondContact O-N 3.07Å; L197-M200 HydrophobicContact CD2-SD 4.48Å; L197-M200 PolarHBondContact O-N 3.26Å; M200-T205 WeakPolarHBondContact O-CG2 3.37Å; M200-L218 HydrophobicContact CG-CD1 4.28Å
201	L	96	Very high	95.6	Very high	3 Å²	3	63.3 Å²	63.3	2%	0.016	31%	0.307	C	S	.	.	S	Bend	trans	-116.9	20.4	-168.8	-53.1	179.5	0	0	0	113.3	L134 L197 I206 L260 Q264 L268	L134-L201 HydrophobicContact CD1-CD2 4.15Å; L197-L201 HydrophobicContact CB-CD1 4.36Å; L197-L201 HydrophobicContact CD2-CD1 4.05Å; L197-L201 HydrophobicContact CD2-CG 4.48Å; L197-L201 WeakPolarHBondContact O-CA 3.28Å; L197-L201 VanDerWaalsContact O-CB 3.26Å; L197-L201 WeakPolarHBondContact O-CB 3.43Å; L197-L201 PolarHBondContact O-N 3.49Å; L201-I206 HydrophobicContact CD2-CD1 3.92Å; L201-L260 HydrophobicContact CD1-CD1 4.48Å; L201-Q264 HydrophobicContact CB-CB 4.36Å; L201-Q264 HydrophobicContact CB-CG 4.04Å; L201-Q264 HydrophobicContact CD1-CB 4.47Å; L201-L268 HydrophobicContact CD1-CD1 3.99Å; L201-L268 HydrophobicContact CD1-CG 4.34Å; L201-L268 HydrophobicContact CD2-CD2 3.89Å; L201-L268 HydrophobicContact CD2-CG 4.44Å
202	N	94.4	Very high	95.6	Very high	52 Å²	52	56.6 Å²	56.6	28%	0.278	28%	0.275	S	S	.	.	S	Bend	trans	-67.5	163.5	168.3	61.3	66.7	0	0	0	110.9	N198 R199 D204 T205 I206	N198-N202 VanDerWaalsContact O-CB 3.31Å; N198-N202 WeakPolarHBondContact O-CB 3.26Å; N198-N202 PolarHBondContact O-N 3.41Å; N198-N202 PolarHBondContact O-ND2 3.18Å; N198-N202 VanDerWaalsContact O-ND2 3.13Å; R199-N202 PolarHBondContact O-ND2 3.26Å; N202-D204 VanDerWaalsContact C-N 3.31Å; N202-D204 PolarHBondContact O-N 2.89Å; N202-D204 PolarHBondContact OD1-N 3.48Å; N202-T205 PolarHBondContact ND2-OG1 2.94Å; N202-T205 PolarHBondContact O-N 2.75Å; N202-T205 VanDerWaalsContact O-N 3.14Å; N202-T205 WeakPolarHBondContact OD1-CB 3.45Å; N202-T205 PolarHBondContact OD1-N 3.19Å; N202-T205 PolarHBondContact OD1-OG1 3.33Å; N202-I206 WeakPolarHBondContact O-CG2 3.45Å; N202-I206 PolarHBondContact O-N 2.92Å
203	R	93.8	Very high	95.6	Very high	203 Å²	203	55.2 Å²	55.2	77%	0.766	26%	0.263	S	S	*	.	H	α-helix	trans	-53.2	-44.2	-177.8	-174.3	-177.9	179.1	-172.5	-0.5	113.2	T205 T207	R203-T205 PolarHBondContact O-N 3.01Å; R203-T207 HydrophobicContact CG-CG2 4.42Å; R203-T207 WeakPolarHBondContact O-CB 3.37Å; R203-T207 VanDerWaalsContact O-CG2 3.22Å; R203-T207 WeakPolarHBondContact O-CG2 3.38Å; R203-T207 PolarHBondContact O-N 3.17Å; R203-T207 PolarHBondContact O-OG1 3.15Å
204	D	91.9	Very high	95.7	Very high	116 Å²	116	56.8 Å²	56.8	62%	0.62	27%	0.271	S	S	*	.	H	α-helix	trans	-69.3	-28.5	-175.1	-62.1	-27.7	0	0	0	112.1	N202 R208	N202-D204 VanDerWaalsContact C-N 3.31Å; N202-D204 PolarHBondContact O-N 2.89Å; N202-D204 PolarHBondContact OD1-N 3.48Å; D204-R208 WeakPolarHBondContact O-CG 3.16Å
205	T	93.8	Very high	95.9	Very high	5 Å²	5	57.9 Å²	57.9	3%	0.031	28%	0.284	C	S	.	.	H	α-helix	trans	-87.5	-50	-179.6	-47.2	0	0	0	0	111.3	M99 R199 M200 N202 R203 T207 R208 Y216 L218	M99-T205 HydrophobicContact CE-CG2 3.32Å; M99-T205 HydrophobicContact SD-CG2 4.48Å; R199-T205 PolarHBondContact O-OG1 3.4Å; M200-T205 WeakPolarHBondContact O-CG2 3.37Å; N202-T205 PolarHBondContact ND2-OG1 2.94Å; N202-T205 PolarHBondContact O-N 2.75Å; N202-T205 VanDerWaalsContact O-N 3.14Å; N202-T205 WeakPolarHBondContact OD1-CB 3.45Å; N202-T205 PolarHBondContact OD1-N 3.19Å; N202-T205 PolarHBondContact OD1-OG1 3.33Å; R203-T205 PolarHBondContact O-N 3.01Å; T205-T207 VanDerWaalsContact C-N 3.3Å; T205-T207 PolarHBondContact O-N 3.28Å; T205-R208 WeakPolarHBondContact O-CB 3.34Å; T205-R208 PolarHBondContact O-N 2.84Å; T205-R208 VanDerWaalsContact O-N 3.11Å; T205-Y216 HydrophobicContact CG2-CD1 3.5Å; T205-Y216 HydrophobicContact CG2-CE1 3.72Å; T205-L218 HydrophobicContact CG2-CD1 3.97Å; T205-L218 HydrophobicContact CG2-CD2 3.45Å; T205-L218 VanDerWaalsContact CG2-CD2 3.45Å; T205-L218 HydrophobicContact CG2-CG 3.87Å
206	I	95.3	Very high	96	Very high	7 Å²	7	58.1 Å²	58.1	4%	0.036	28%	0.275	C	S	.	.	H	α-helix	trans	-65.2	-34.4	-172.7	-163.4	60.8	0	0	0	112.3	L201 N202 R208 I209 L268 L271	L201-I206 HydrophobicContact CD2-CD1 3.92Å; N202-I206 WeakPolarHBondContact O-CG2 3.45Å; N202-I206 PolarHBondContact O-N 2.92Å; I206-R208 PolarHBondContact O-N 3.36Å; I206-I209 HydrophobicContact CD1-CD1 4.09Å; I206-I209 HydrophobicContact CD1-CG1 4.29Å; I206-I209 WeakPolarHBondContact O-CG1 3.15Å; I206-I209 PolarHBondContact O-N 3.47Å; I206-L268 HydrophobicContact CD1-CD2 4.13Å; I206-L271 HydrophobicContact CD1-CD1 3.98Å; I206-L271 HydrophobicContact CD1-CD2 4.03Å; I206-L271 HydrophobicContact CD1-CG 4.35Å; I206-L271 HydrophobicContact CG1-CD2 4.17Å
207	T	96.1	Very high	96.1	Very high	77 Å²	77	62.7 Å²	62.7	47%	0.472	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-69.9	-20.4	178.6	54.5	0	0	0	0	113.3	R203 T205 I209 T210	R203-T207 HydrophobicContact CG-CG2 4.42Å; R203-T207 WeakPolarHBondContact O-CB 3.37Å; R203-T207 VanDerWaalsContact O-CG2 3.22Å; R203-T207 WeakPolarHBondContact O-CG2 3.38Å; R203-T207 PolarHBondContact O-N 3.17Å; R203-T207 PolarHBondContact O-OG1 3.15Å; T205-T207 VanDerWaalsContact C-N 3.3Å; T205-T207 PolarHBondContact O-N 3.28Å; T207-I209 VanDerWaalsContact C-N 3.28Å; T207-I209 PolarHBondContact O-N 2.96Å; T207-T210 PolarHBondContact O-OG1 3.21Å
208	R	97.7	Very high	96	Very high	160 Å²	160	63.1 Å²	63.1	60%	0.604	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-79.4	-9.8	177.9	-63.2	-77.3	-174.3	-179.6	1.7	113.6	D204 T205 I206 D214 Y216	D204-R208 WeakPolarHBondContact O-CG 3.16Å; T205-R208 WeakPolarHBondContact O-CB 3.34Å; T205-R208 PolarHBondContact O-N 2.84Å; T205-R208 VanDerWaalsContact O-N 3.11Å; I206-R208 PolarHBondContact O-N 3.36Å; R208-D214 WeakPolarHBondContact O-CB 3.49Å; R208-Y216 HydrophobicContact CB-CD1 4.44Å; R208-Y216 HydrophobicContact CB-CD2 3.53Å; R208-Y216 HydrophobicContact CB-CE2 4.22Å; R208-Y216 HydrophobicContact CB-CG 3.65Å; R208-Y216 HydrophobicContact CG-CD2 3.56Å; R208-Y216 HydrophobicContact CG-CE2 3.72Å; R208-Y216 HydrophobicContact CG-CG 4.07Å
209	I	97.5	Very high	96	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-121.1	29.4	178.4	62.7	151.5	0	0	0	112.3	M99 N101 V106 I206 T207 Y211 D214 L271	M99-I209 HydrophobicContact CE-CB 4.33Å; M99-I209 HydrophobicContact CE-CD1 3.42Å; M99-I209 VanDerWaalsContact CE-CD1 3.42Å; M99-I209 HydrophobicContact CE-CG1 3.6Å; M99-I209 HydrophobicContact CE-CG2 3.81Å; M99-I209 HydrophobicContact CG-CD1 3.99Å; M99-I209 HydrophobicContact CG-CG2 4.49Å; M99-I209 HydrophobicContact SD-CD1 3.72Å; N101-I209 HydrophobicContact CB-CB 4.1Å; N101-I209 WeakPolarHBondContact CB-O 3.39Å; N101-I209 PolarHBondContact ND2-O 2.89Å; V106-I209 HydrophobicContact CG1-CD1 3.86Å; V106-I209 HydrophobicContact CG2-CD1 4.07Å; I206-I209 HydrophobicContact CD1-CD1 4.09Å; I206-I209 HydrophobicContact CD1-CG1 4.29Å; I206-I209 WeakPolarHBondContact O-CG1 3.15Å; I206-I209 PolarHBondContact O-N 3.47Å; T207-I209 VanDerWaalsContact C-N 3.28Å; T207-I209 PolarHBondContact O-N 2.96Å; I209-Y211 VanDerWaalsContact C-N 3.3Å; I209-Y211 PolarHBondContact O-N 3Å; I209-D214 HydrophobicContact CB-CB 4.4Å; I209-L271 HydrophobicContact CD1-CD1 4.09Å; I209-L271 HydrophobicContact CG1-CD2 4.28Å; I209-L271 WeakPolarHBondContact O-CD2 3.31Å
210	T	97.8	Very high	95.9	Very high	35 Å²	35	60 Å²	60	22%	0.215	30%	0.301	C	S	.	.			trans	-62.6	-36.4	-170.9	-59.3	0	0	0	0	112.2	N101 T207 D214 S272	N101-T210 PolarHBondContact ND2-O 2.87Å; T207-T210 PolarHBondContact O-OG1 3.21Å; T210-D214 PolarHBondContact N-OD2 2.9Å; T210-S272 PolarHBondContact O-N 3.23Å
211	Y	97.6	Very high	95.9	Very high	79 Å²	79	60.1 Å²	60.1	31%	0.31	30%	0.301	S	S	.	.	S	Bend	trans	-117.7	161	-173	-62.2	-83.9	0	0	0	112.7	N101 I209 N213 D214 P276	N101-Y211 VanDerWaalsContact CB-O 3.25Å; N101-Y211 WeakPolarHBondContact CB-O 3.34Å; N101-Y211 VanDerWaalsContact CG-C 3.44Å; N101-Y211 PolarHBondContact ND2-O 2.75Å; I209-Y211 VanDerWaalsContact C-N 3.3Å; I209-Y211 PolarHBondContact O-N 3Å; Y211-N213 PolarHBondContact O-N 3.22Å; Y211-D214 PolarHBondContact N-OD2 3.03Å; Y211-D214 VanDerWaalsContact O-CB 3.22Å; Y211-D214 WeakPolarHBondContact O-CB 3.5Å; Y211-D214 VanDerWaalsContact O-CG 3.26Å; Y211-D214 PolarHBondContact O-N 2.7Å; Y211-D214 VanDerWaalsContact O-N 3.1Å; Y211-P276 HydrophobicContact CD1-CB 4.26Å; Y211-P276 HydrophobicContact CD1-CG 4.04Å; Y211-P276 HydrophobicContact CD2-CB 4.31Å; Y211-P276 HydrophobicContact CD2-CG 3.7Å; Y211-P276 HydrophobicContact CE1-CB 4.28Å; Y211-P276 HydrophobicContact CE1-CG 4.49Å; Y211-P276 HydrophobicContact CE2-CB 4.31Å; Y211-P276 HydrophobicContact CE2-CG 4.17Å; Y211-P276 HydrophobicContact CG-CB 4.27Å; Y211-P276 HydrophobicContact CG-CG 3.62Å
212	K	95.5	Very high	95.9	Very high	47 Å²	47	61.7 Å²	61.7	20%	0.204	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	136	176.7	174	175.9	178.5	-176.3	0	111.4	N101 D214 Q273 N274 Q275	N101-K212 WeakPolarHBondContact OD1-CA 3.44Å; K212-D214 PolarHBondContact O-N 2.9Å; K212-Q273 WeakPolarHBondContact CB-O 3.31Å; K212-Q273 WeakPolarHBondContact CD-O 3.38Å; K212-N274 PolarHBondContact N-O 2.73Å; K212-N274 VanDerWaalsContact N-O 3.08Å; K212-Q275 HydrophobicContact CB-CG 4.44Å
213	N	96	Very high	96	Very high	80 Å²	80	59.3 Å²	59.3	43%	0.428	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	72	2.9	-179.3	-58	-11	0	0	0	114.9	N101 Y211	N101-N213 WeakPolarHBondContact O-CA 3.41Å; N101-N213 PolarHBondContact O-N 3.09Å; Y211-N213 PolarHBondContact O-N 3.22Å
214	D	97.9	Very high	96.1	Very high	49 Å²	49	54.2 Å²	54.2	26%	0.262	28%	0.282	S	S	.	.			trans	-64.4	144.7	167.1	-71.6	-15.9	0	0	0	110.5	Y100 N101 R208 I209 T210 Y211 K212	Y100-D214 WeakPolarHBondContact CA-O 3.25Å; N101-D214 PolarHBondContact N-O 3.5Å; R208-D214 WeakPolarHBondContact O-CB 3.49Å; I209-D214 HydrophobicContact CB-CB 4.4Å; T210-D214 PolarHBondContact N-OD2 2.9Å; Y211-D214 PolarHBondContact N-OD2 3.03Å; Y211-D214 VanDerWaalsContact O-CB 3.22Å; Y211-D214 WeakPolarHBondContact O-CB 3.5Å; Y211-D214 VanDerWaalsContact O-CG 3.26Å; Y211-D214 PolarHBondContact O-N 2.7Å; Y211-D214 VanDerWaalsContact O-N 3.1Å; K212-D214 PolarHBondContact O-N 2.9Å
215	A	97.7	Very high	96.2	Very high	55 Å²	55	52.3 Å²	52.3	46%	0.455	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	143.1	178.9	0	0	0	0	0	110.6	T98 M99 Y100	T98-A215 HydrophobicContact CG2-CB 3.96Å; M99-A215 CarbonylContact O-C 3.51Å; M99-A215 VanDerWaalsContact O-CA 3.27Å; M99-A215 WeakPolarHBondContact O-CA 3.42Å; Y100-A215 HydrophobicContact CD1-CB 3.61Å; Y100-A215 HydrophobicContact CE1-CB 3.69Å
216	Y	97.9	Very high	96.4	Very high	76 Å²	76	52 Å²	52	30%	0.298	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	129.5	179.1	-174	-107.3	0	0	0	111.7	M99 T205 R208 L218	M99-Y216 PolarHBondContact N-O 2.96Å; M99-Y216 PolarHBondContact O-N 3.5Å; T205-Y216 HydrophobicContact CG2-CD1 3.5Å; T205-Y216 HydrophobicContact CG2-CE1 3.72Å; R208-Y216 HydrophobicContact CB-CD1 4.44Å; R208-Y216 HydrophobicContact CB-CD2 3.53Å; R208-Y216 HydrophobicContact CB-CE2 4.22Å; R208-Y216 HydrophobicContact CB-CG 3.65Å; R208-Y216 HydrophobicContact CG-CD2 3.56Å; R208-Y216 HydrophobicContact CG-CE2 3.72Å; R208-Y216 HydrophobicContact CG-CG 4.07Å; Y216-L218 HydrophobicContact CD1-CD2 4.31Å; Y216-L218 HydrophobicContact CD1-CG 4.25Å; Y216-L218 HydrophobicContact CE1-CD2 4.12Å; Y216-L218 PolarHBondContact O-N 3.46Å
217	L	97.3	Very high	96.4	Very high	98 Å²	98	53.3 Å²	53.3	51%	0.513	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	120.4	178	-178.3	66.9	0	0	0	110.3	T219	L217-T219 HydrophobicContact CG-CG2 4.42Å
218	L	95.6	Very high	96.2	Very high	8 Å²	8	50.4 Å²	50.4	4%	0.042	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	137.4	171.5	-80	171.8	0	0	0	109.6	G96 G97 M99 L108 M200 T205 Y216 L221	G96-L218 CarbonylContact C-O 3.54Å; G96-L218 VanDerWaalsContact CA-O 3.27Å; G96-L218 WeakPolarHBondContact CA-O 3.36Å; G97-L218 PolarHBondContact N-O 2.91Å; G97-L218 WeakPolarHBondContact O-CA 3.14Å; G97-L218 PolarHBondContact O-N 2.84Å; G97-L218 VanDerWaalsContact O-O 3.08Å; M99-L218 HydrophobicContact CB-CD1 4.06Å; M99-L218 HydrophobicContact SD-CD1 4.29Å; L108-L218 HydrophobicContact CD1-CD1 4.31Å; M200-L218 HydrophobicContact CG-CD1 4.28Å; T205-L218 HydrophobicContact CG2-CD1 3.97Å; T205-L218 HydrophobicContact CG2-CD2 3.45Å; T205-L218 VanDerWaalsContact CG2-CD2 3.45Å; T205-L218 HydrophobicContact CG2-CG 3.87Å; Y216-L218 HydrophobicContact CD1-CD2 4.31Å; Y216-L218 HydrophobicContact CD1-CG 4.25Å; Y216-L218 HydrophobicContact CE1-CD2 4.12Å; Y216-L218 PolarHBondContact O-N 3.46Å; L218-L221 HydrophobicContact CB-CD1 3.95Å; L218-L221 HydrophobicContact CB-CD2 4.49Å; L218-L221 HydrophobicContact CB-CG 4.32Å; L218-L221 HydrophobicContact CD1-CD1 4.48Å; L218-L221 HydrophobicContact CD1-CD2 4.47Å
219	T	94.8	Very high	95.9	Very high	90 Å²	90	50.8 Å²	50.8	55%	0.552	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.8	165.3	174.9	61.4	0	0	0	0	110.6	R199 L217 L221	R199-T219 PolarHBondContact NH1-O 2.78Å; L217-T219 HydrophobicContact CG-CG2 4.42Å; T219-L221 VanDerWaalsContact C-N 3.27Å; T219-L221 PolarHBondContact O-N 3.11Å
220	G	94.1	Very high	95.7	Very high	21 Å²	21	51.7 Å²	51.7	22%	0.216	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	61.4	30.3	171.2	0	0	0	0	0	114.7	V95 R199	V95-G220 PolarHBondContact O-N 3.24Å; V95-G220 VanDerWaalsContact O-N 3.1Å; R199-G220 VanDerWaalsContact NH1-C 3.26Å; R199-G220 PolarHBondContact NH1-O 3.05Å
221	L	95.7	Very high	95.4	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.005	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	137.4	174.9	-63.3	167.9	0	0	0	109.7	K94 V95 L108 F196 R199 L218 T219 I223	K94-L221 CarbonylContact C-O 3.44Å; K94-L221 VanDerWaalsContact CA-O 3.24Å; K94-L221 WeakPolarHBondContact CA-O 3.47Å; V95-L221 HydrophobicContact CG2-CB 3.94Å; V95-L221 PolarHBondContact N-O 2.86Å; V95-L221 WeakPolarHBondContact O-CB 3.2Å; V95-L221 PolarHBondContact O-N 3.09Å; L108-L221 HydrophobicContact CD1-CD1 4.14Å; L108-L221 HydrophobicContact CD2-CD1 3.81Å; F196-L221 HydrophobicContact CE2-CB 4.32Å; F196-L221 HydrophobicContact CE2-CD2 4.29Å; R199-L221 HydrophobicContact CB-CD2 4.36Å; R199-L221 HydrophobicContact CG-CD2 3.78Å; L218-L221 HydrophobicContact CB-CD1 3.95Å; L218-L221 HydrophobicContact CB-CD2 4.49Å; L218-L221 HydrophobicContact CB-CG 4.32Å; L218-L221 HydrophobicContact CD1-CD1 4.48Å; L218-L221 HydrophobicContact CD1-CD2 4.47Å; T219-L221 VanDerWaalsContact C-N 3.27Å; T219-L221 PolarHBondContact O-N 3.11Å; L221-I223 HydrophobicContact CB-CD1 4.44Å
222	N	96	Very high	95.3	Very high	37 Å²	37	53.3 Å²	53.3	20%	0.198	28%	0.284	C	S	.	.			trans	-105.9	106.8	170.7	-178.9	3.6	0	0	0	108.8	F196 E224 E225	F196-N222 WeakPolarHBondContact CD2-O 3.16Å; N222-E224 PolarHBondContact O-N 3.42Å; N222-E224 WeakPolarHBondContact OD1-CB 3.39Å; N222-E224 PolarHBondContact OD1-N 2.85Å; N222-E225 HydrophobicContact CB-CG 4Å; N222-E225 WeakPolarHBondContact CB-OE1 3.22Å; N222-E225 WeakPolarHBondContact ND2-CG 3.49Å; N222-E225 PolarHBondContact ND2-OE1 3.2Å; N222-E225 WeakPolarHBondContact O-CB 3.46Å; N222-E225 PolarHBondContact O-N 2.96Å; N222-E225 VanDerWaalsContact O-N 3.17Å
223	I	96.4	Very high	95.4	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.01	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-66.2	-26.6	-175.1	-54.9	-50.3	0	0	0	111.9	L88 T90 V95 L110 V116 L129 I132 F196 L221 E225 I226 Y227	L88-I223 HydrophobicContact CD2-CG2 4.5Å; T90-I223 HydrophobicContact CG2-CB 4.21Å; V95-I223 HydrophobicContact CG2-CD1 3.62Å; V95-I223 HydrophobicContact CG2-CG1 3.72Å; L110-I223 HydrophobicContact CD1-CD1 4.27Å; L110-I223 HydrophobicContact CD1-CG1 4.26Å; L110-I223 HydrophobicContact CD2-CD1 4.19Å; V116-I223 HydrophobicContact CG1-CB 4.39Å; V116-I223 HydrophobicContact CG1-CG1 4.47Å; V116-I223 HydrophobicContact CG1-CG2 4.05Å; V116-I223 HydrophobicContact CG2-CG1 4.09Å; L129-I223 HydrophobicContact CD2-CG2 4.31Å; I132-I223 HydrophobicContact CD1-CD1 4.35Å; F196-I223 HydrophobicContact CE2-CD1 3.79Å; L221-I223 HydrophobicContact CB-CD1 4.44Å; I223-E225 PolarHBondContact O-N 3.25Å; I223-I226 HydrophobicContact CG2-CG2 4.39Å; I223-I226 WeakPolarHBondContact O-CG2 3.33Å; I223-I226 PolarHBondContact O-N 2.91Å; I223-Y227 HydrophobicContact CG2-CE2 4.25Å
224	E	95.1	Very high	95.5	Very high	96 Å²	96	47.3 Å²	47.3	45%	0.449	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-61.3	-30.5	176.9	-69.4	164.1	-150.5	0	0	112.1	L88 T90 N222 I226 Y227	L88-E224 HydrophobicContact CD2-CB 4.27Å; L88-E224 HydrophobicContact CD2-CG 3.58Å; L88-E224 HydrophobicContact CG-CG 4.42Å; T90-E224 HydrophobicContact CG2-CG 3.87Å; T90-E224 PolarHBondContact OG1-OE1 2.81Å; N222-E224 PolarHBondContact O-N 3.42Å; N222-E224 WeakPolarHBondContact OD1-CB 3.39Å; N222-E224 PolarHBondContact OD1-N 2.85Å; E224-I226 PolarHBondContact O-N 2.85Å; E224-Y227 PolarHBondContact O-N 3.28Å; E224-Y227 VanDerWaalsContact O-N 3.13Å
225	E	95.4	Very high	95.5	Very high	75 Å²	75	45 Å²	45	35%	0.35	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-72.4	-12.4	-177.4	-70.9	167.7	-163.4	0	0	114.3	N194 S195 F196 N222 I223	N194-E225 PolarHBondContact ND2-O 2.71Å; S195-E225 WeakPolarHBondContact CB-OE2 3.41Å; F196-E225 HydrophobicContact CB-CB 3.89Å; N222-E225 HydrophobicContact CB-CG 4Å; N222-E225 WeakPolarHBondContact CB-OE1 3.22Å; N222-E225 WeakPolarHBondContact ND2-CG 3.49Å; N222-E225 PolarHBondContact ND2-OE1 3.2Å; N222-E225 WeakPolarHBondContact O-CB 3.46Å; N222-E225 PolarHBondContact O-N 2.96Å; N222-E225 VanDerWaalsContact O-N 3.17Å; I223-E225 PolarHBondContact O-N 3.25Å
226	I	96.2	Very high	95.5	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-81.9	-25.6	172.4	-153.9	177	0	0	0	111.6	I132 V157 L159 I185 F196 I223 E224 V258	I132-I226 HydrophobicContact CD1-CD1 4.24Å; I132-I226 HydrophobicContact CG2-CD1 3.91Å; V157-I226 HydrophobicContact CG1-CD1 3.67Å; V157-I226 HydrophobicContact CG1-CG1 4.49Å; L159-I226 HydrophobicContact CD1-CD1 4.38Å; L159-I226 HydrophobicContact CD2-CD1 4.35Å; L159-I226 HydrophobicContact CD2-CG2 3.74Å; I185-I226 WeakPolarHBondContact CD1-O 3.43Å; F196-I226 HydrophobicContact CB-CB 4.16Å; F196-I226 HydrophobicContact CD1-CB 3.84Å; F196-I226 HydrophobicContact CD1-CD1 3.6Å; F196-I226 HydrophobicContact CD1-CG1 3.59Å; F196-I226 HydrophobicContact CD2-CB 4.15Å; F196-I226 HydrophobicContact CE1-CB 4.28Å; F196-I226 HydrophobicContact CE1-CD1 3.34Å; F196-I226 HydrophobicContact CE1-CG1 3.91Å; F196-I226 HydrophobicContact CG-CB 3.77Å; F196-I226 HydrophobicContact CG-CD1 4.36Å; F196-I226 HydrophobicContact CG-CG1 4.06Å; F196-I226 HydrophobicContact CZ-CD1 3.91Å; I223-I226 HydrophobicContact CG2-CG2 4.39Å; I223-I226 WeakPolarHBondContact O-CG2 3.33Å; I223-I226 PolarHBondContact O-N 2.91Å; E224-I226 PolarHBondContact O-N 2.85Å; I226-V258 WeakPolarHBondContact O-CG1 3.45Å
227	Y	95.3	Very high	95.6	Very high	34 Å²	34	42.3 Å²	42.3	13%	0.133	22%	0.222	C	C	.	.	S	Bend	trans	-78.2	126.4	179.6	-74.8	-96.4	0	0	0	108.9	L88 L159 V183 I223 E224 M254	L88-Y227 HydrophobicContact CD1-CE2 4.18Å; L88-Y227 HydrophobicContact CD2-CD2 3.66Å; L88-Y227 HydrophobicContact CD2-CE2 3.67Å; L159-Y227 HydrophobicContact CD2-CE2 3.9Å; V183-Y227 HydrophobicContact CG1-CE1 3.93Å; V183-Y227 HydrophobicContact CG2-CE1 4.4Å; I223-Y227 HydrophobicContact CG2-CE2 4.25Å; E224-Y227 PolarHBondContact O-N 3.28Å; E224-Y227 VanDerWaalsContact O-N 3.13Å; Y227-M254 HydrophobicContact CD1-CE 4.49Å
228	P	93.6	Very high	95.6	Very high	16 Å²	16	37.7 Å²	37.7	10%	0.104	20%	0.198	C	C	.	.			trans	-70.8	151.4	178.4	31.7	-37.6	0	0	0	110.3	I185 T230 M254 K256	I185-P228 HydrophobicContact CG2-CG 4.14Å; P228-T230 HydrophobicContact CB-CG2 4.44Å; P228-T230 HydrophobicContact CG-CG2 4.01Å; P228-T230 PolarHBondContact O-N 3.36Å; P228-M254 HydrophobicContact CG-CB 3.8Å; P228-M254 HydrophobicContact CG-CE 4.41Å; P228-M254 HydrophobicContact CG-CG 4.37Å; P228-K256 HydrophobicContact CB-CB 3.75Å; P228-K256 HydrophobicContact CB-CD 3.94Å; P228-K256 HydrophobicContact CB-CG 3.85Å; P228-K256 HydrophobicContact CG-CB 4.13Å; P228-K256 VanDerWaalsContact CG-O 3.28Å; P228-K256 WeakPolarHBondContact CG-O 3.44Å
229	E	91.4	Very high	95.7	Very high	168 Å²	168	37.3 Å²	37.3	79%	0.785	20%	0.196	S	C	*	.	S	Bend	trans	-69.4	74.6	179.1	-54	164.6	154.2	0	0	111.8	K256	E229-K256 IonicContact OE2-NZ 3.99Å; E229-K256 PolarHBondContact OE2-NZ 3.45Å; E229-K256 VanDerWaalsContact OE2-NZ 3.12Å
230	T	92	Very high	95.9	Very high	19 Å²	19	33.5 Å²	33.5	12%	0.117	17%	0.172	C	C	.	.			trans	-157.1	141.1	176.5	-174.2	0	0	0	0	109.7	P228 S232 M254 K256	P228-T230 HydrophobicContact CB-CG2 4.44Å; P228-T230 HydrophobicContact CG-CG2 4.01Å; P228-T230 PolarHBondContact O-N 3.36Å; T230-S232 WeakPolarHBondContact OG1-CB 3.39Å; T230-S232 PolarHBondContact OG1-N 3.47Å; T230-S232 VanDerWaalsContact OG1-N 3.14Å; T230-M254 HydrophobicContact CG2-CE 4.09Å; T230-K256 HydrophobicContact CG2-CB 3.69Å
231	N	92.2	Very high	96	Very high	117 Å²	117	32.5 Å²	32.5	63%	0.626	16%	0.162	S	C	*	.			trans	-95.4	-3.7	169.8	-64.3	-27.6	0	0	0	111.6	F233 N301	N231-F233 WeakPolarHBondContact O-CD1 3.32Å; N231-N301 PolarHBondContact O-ND2 3.35Å
232	S	95	Very high	96	Very high	30 Å²	30	33.4 Å²	33.4	21%	0.21	17%	0.166	C	C	.	.			trans	-86	135.9	-177.3	-68.4	0	0	0	0	110.9	T230 N255 N301	T230-S232 WeakPolarHBondContact OG1-CB 3.39Å; T230-S232 PolarHBondContact OG1-N 3.47Å; T230-S232 VanDerWaalsContact OG1-N 3.14Å; S232-N255 WeakPolarHBondContact O-CB 3.18Å; S232-N255 PolarHBondContact O-N 2.91Å; S232-N301 VanDerWaalsContact CA-OD1 3.26Å; S232-N301 WeakPolarHBondContact CA-OD1 3.46Å
233	F	97.1	Very high	96	Very high	1 Å²	1	32.1 Å²	32.1	0%	0.004	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	167.9	178.3	63	-92.6	0	0	0	111.7	L83 I86 N231 T235 I252 L253 M254 T300 N301	L83-F233 HydrophobicContact CB-CE2 4.47Å; L83-F233 HydrophobicContact CB-CZ 3.96Å; L83-F233 HydrophobicContact CD1-CE2 4.04Å; L83-F233 HydrophobicContact CD1-CZ 4.35Å; L83-F233 HydrophobicContact CD2-CE2 4.26Å; L83-F233 HydrophobicContact CD2-CZ 4.34Å; L83-F233 HydrophobicContact CG-CE2 4.5Å; L83-F233 HydrophobicContact CG-CZ 4.45Å; I86-F233 HydrophobicContact CD1-CD1 3.73Å; I86-F233 HydrophobicContact CD1-CE1 4.01Å; I86-F233 HydrophobicContact CD1-CG 4.07Å; I86-F233 HydrophobicContact CG1-CD1 4.17Å; I86-F233 HydrophobicContact CG1-CE1 3.94Å; I86-F233 HydrophobicContact CG1-CZ 4.44Å; N231-F233 WeakPolarHBondContact O-CD1 3.32Å; F233-T235 HydrophobicContact CE2-CG2 4.17Å; F233-I252 HydrophobicContact CB-CG2 3.96Å; F233-I252 HydrophobicContact CD2-CG2 3.91Å; F233-I252 HydrophobicContact CG-CG2 3.98Å; F233-L253 CarbonylContact C-O 3.57Å; F233-L253 WeakPolarHBondContact CA-O 2.99Å; F233-L253 WeakPolarHBondContact CB-O 3.48Å; F233-M254 HydrophobicContact CB-SD 4.25Å; F233-T300 WeakPolarHBondContact O-CA 3.4Å; F233-T300 WeakPolarHBondContact O-CB 3.39Å; F233-T300 PolarHBondContact O-OG1 2.83Å; F233-N301 WeakPolarHBondContact CE1-ND2 3.49Å; F233-N301 PolarHBondContact N-OD1 2.9Å; F233-N301 PolarHBondContact O-N 2.79Å; F233-N301 PolarHBondContact O-OD1 2.88Å
234	I	98.1	Very high	95.9	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	144.8	174.9	-58.7	161	0	0	0	107.2	I72 M77 I252 L253 I298 R299 L319 Y321	I72-I234 HydrophobicContact CG2-CD1 4.11Å; I72-I234 HydrophobicContact CG2-CG2 4.18Å; M77-I234 HydrophobicContact CE-CD1 4.37Å; M77-I234 HydrophobicContact SD-CD1 3.59Å; M77-I234 VanDerWaalsContact SD-CD1 3.59Å; M77-I234 HydrophobicContact SD-CG1 3.75Å; M77-I234 HydrophobicContact SD-CG2 3.95Å; I234-I252 CarbonylContact O-C 3.48Å; I234-I252 WeakPolarHBondContact O-CA 3.48Å; I234-L253 HydrophobicContact CB-CB 4.28Å; I234-L253 PolarHBondContact N-O 3.01Å; I234-L253 PolarHBondContact O-N 3.21Å; I234-I298 HydrophobicContact CG2-CG2 3.29Å; I234-R299 CarbonylContact C-O 3.51Å; I234-R299 WeakPolarHBondContact CA-O 3.25Å; I234-L319 HydrophobicContact CD1-CD2 4.18Å; I234-Y321 HydrophobicContact CD1-CE2 4.35Å
235	T	98.6	Very high	96	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	145.7	-178.3	-175	0	0	0	0	113.2	L83 P122 F233 W251 R299	L83-T235 HydrophobicContact CD1-CG2 3.94Å; L83-T235 HydrophobicContact CD2-CG2 4.08Å; P122-T235 HydrophobicContact CB-CG2 4.12Å; P122-T235 HydrophobicContact CG-CG2 4.37Å; P122-T235 WeakPolarHBondContact CG-OG1 3.44Å; F233-T235 HydrophobicContact CE2-CG2 4.17Å; T235-W251 WeakPolarHBondContact CA-O 3.41Å; T235-W251 VanDerWaalsContact CB-O 3.25Å; T235-W251 WeakPolarHBondContact CB-O 3.48Å; T235-W251 PolarHBondContact OG1-O 3.22Å; T235-R299 HydrophobicContact CG2-CB 3.97Å; T235-R299 PolarHBondContact N-O 2.87Å; T235-R299 PolarHBondContact O-N 3.1Å
236	Y	98.5	Very high	96.1	Very high	3 Å²	3	28.2 Å²	28.2	1%	0.012	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	159.6	176.3	75.8	-82.3	0	0	0	111	S68 V70 I72 H146 W251 L253	S68-Y236 WeakPolarHBondContact CB-OH 3.49Å; S68-Y236 WeakPolarHBondContact OG-CE2 3.23Å; S68-Y236 PolarHBondContact OG-OH 3.42Å; V70-Y236 HydrophobicContact CG1-CE2 4.18Å; V70-Y236 HydrophobicContact CG2-CD1 4.42Å; V70-Y236 HydrophobicContact CG2-CD2 4.5Å; V70-Y236 HydrophobicContact CG2-CE1 3.9Å; V70-Y236 HydrophobicContact CG2-CE2 4.01Å; I72-Y236 HydrophobicContact CD1-CD1 4.27Å; I72-Y236 HydrophobicContact CD1-CE1 4.37Å; H146-Y236 AromaticContact NE2-CE1 3.65Å; H146-Y236 AromaticContact NE2-CZ 3.61Å; H146-Y236 PolarHBondContact NE2-OH 2.84Å; Y236-W251 HydrophobicContact CD1-CB 3.74Å; Y236-W251 HydrophobicContact CD1-CG 4.48Å; Y236-W251 HydrophobicContact CE1-CB 3.38Å; Y236-W251 AromaticContact CE1-CG 3.73Å; Y236-W251 HydrophobicContact CE1-CG 3.73Å; Y236-W251 AromaticContact CE2-CD1 4Å; Y236-W251 HydrophobicContact CE2-CG 4.41Å; Y236-W251 HydrophobicContact CG-CB 4.45Å; Y236-W251 AromaticContact CZ-CD1 3.63Å; Y236-W251 AromaticContact CZ-CG 3.67Å; Y236-W251 PolarHBondContact N-O 3.38Å; Y236-W251 PolarHBondContact O-N 2.84Å; Y236-L253 HydrophobicContact CD1-CD1 4.21Å; Y236-L253 HydrophobicContact CE1-CD1 3.88Å
237	E	98.2	Very high	96.2	Very high	73 Å²	73	29.7 Å²	29.7	34%	0.341	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	127.7	174.2	-61.3	-54.3	138.3	0	0	111.2	T250 R296	E237-T250 WeakPolarHBondContact OE1-CG2 3.37Å; E237-T250 PolarHBondContact OE1-OG1 3.12Å; E237-T250 PolarHBondContact OE2-OG1 3.27Å; E237-R296 WeakPolarHBondContact O-CD 3.33Å; E237-R296 PolarHBondContact O-NH1 3.14Å
238	G	98.1	Very high	96.3	Very high	1 Å²	1	29 Å²	29	1%	0.01	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	-156.9	-169.5	0	0	0	0	0	114.7	R66 S68 E247 A249	R66-G238 CarbonylContact O-C 3.43Å; R66-G238 WeakPolarHBondContact O-CA 3.3Å; S68-G238 WeakPolarHBondContact OG-CA 3.43Å; G238-E247 CarbonylContact O-C 3.48Å; G238-E247 WeakPolarHBondContact O-CA 3.44Å; G238-A249 CarbonylContact C-O 3.58Å; G238-A249 WeakPolarHBondContact CA-O 3.22Å; G238-A249 PolarHBondContact N-O 2.96Å; G238-A249 PolarHBondContact O-N 2.93Å
239	S	98.4	Very high	96.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.146	C	C	.	.			trans	-127.7	171.6	-179.8	78	0	0	0	0	111.8	R66 Q67 S68 F246 W251	R66-S239 PolarHBondContact O-N 2.9Å; R66-S239 VanDerWaalsContact O-N 3.12Å; Q67-S239 WeakPolarHBondContact CA-OG 3.49Å; Q67-S239 PolarHBondContact OE1-OG 2.96Å; S68-S239 WeakPolarHBondContact CB-O 3.49Å; S68-S239 PolarHBondContact N-OG 2.94Å; S68-S239 PolarHBondContact OG-N 3.39Å; S239-F246 CarbonylContact C-O 3.58Å; S239-F246 WeakPolarHBondContact CA-O 3.34Å; S239-F246 VanDerWaalsContact CB-O 3.24Å; S239-F246 WeakPolarHBondContact CB-O 3.49Å; S239-W251 PolarHBondContact O-NE1 3.07Å
240	M	97.6	Very high	96.8	Very high	10 Å²	10	20.9 Å²	20.9	5%	0.049	11%	0.112	C	C	.	.			trans	-62.4	147.5	157	-60.5	178.1	62.9	0	0	110.3	Y170 A174 L180 I242 F246 R288	Y170-M240 WeakPolarHBondContact OH-CE 3.27Å; A174-M240 HydrophobicContact CB-SD 4.3Å; L180-M240 HydrophobicContact CD1-CG 3.76Å; L180-M240 HydrophobicContact CD1-SD 3.94Å; M240-I242 HydrophobicContact CE-CD1 4.24Å; M240-I242 HydrophobicContact CE-CG1 3.9Å; M240-F246 PolarHBondContact N-O 2.87Å; M240-F246 HydrophobicContact SD-CB 4.42Å; M240-F246 HydrophobicContact SD-CD2 4.18Å; M240-R288 PolarHBondContact O-NH1 2.82Å
241	T	97.6	Very high	97.2	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.106	C	C	.	.	S	Bend	trans	-93.4	5.6	177.2	57.2	0	0	0	0	113.6	W51 P69 E145 W251 R288	W51-T241 WeakPolarHBondContact CH2-O 3.38Å; W51-T241 VanDerWaalsContact CZ3-O 3.24Å; W51-T241 WeakPolarHBondContact CZ3-O 3.42Å; P69-T241 HydrophobicContact CB-CG2 4.47Å; E145-T241 WeakPolarHBondContact OE2-CB 3.44Å; E145-T241 VanDerWaalsContact OE2-CG2 3.24Å; E145-T241 WeakPolarHBondContact OE2-CG2 3.47Å; E145-T241 PolarHBondContact OE2-OG1 2.88Å; T241-W251 HydrophobicContact CG2-CH2 4.03Å; T241-W251 HydrophobicContact CG2-CZ2 3.73Å; T241-R288 WeakPolarHBondContact O-CD 3.34Å
242	I	95.6	Very high	97.5	Very high	19 Å²	19	14.4 Å²	14.4	10%	0.097	8%	0.077	C	C	.	.	S	Bend	trans	-124.4	155.3	173.2	64.1	173.4	0	0	0	109.6	W34 Y36 M240 C245	W34-I242 HydrophobicContact CH2-CB 3.91Å; W34-I242 HydrophobicContact CH2-CG2 3.56Å; W34-I242 HydrophobicContact CZ2-CB 3.93Å; W34-I242 HydrophobicContact CZ2-CD1 4.48Å; W34-I242 HydrophobicContact CZ2-CG2 4.05Å; W34-I242 HydrophobicContact CZ3-CG2 4.35Å; Y36-I242 WeakPolarHBondContact OH-CG2 3.32Å; M240-I242 HydrophobicContact CE-CD1 4.24Å; M240-I242 HydrophobicContact CE-CG1 3.9Å; I242-C245 WeakPolarHBondContact O-CA 3.37Å; I242-C245 PolarHBondContact O-N 3.1Å
243	P	94.9	Very high	97.6	Very high	11 Å²	11	13 Å²	13	7%	0.071	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	140	172.7	-25	35.4	0	0	0	111.5	W34 W51 W58	W34-P243 HydrophobicContact CB-CG 4.35Å; W34-P243 HydrophobicContact CD2-CG 4.13Å; W34-P243 HydrophobicContact CG-CG 3.99Å; W51-P243 HydrophobicContact CB-CG 4.12Å; W51-P243 HydrophobicContact CD2-CG 3.45Å; W51-P243 VanDerWaalsContact CD2-CG 3.45Å; W51-P243 HydrophobicContact CE3-CG 3.72Å; W51-P243 HydrophobicContact CG-CG 3.65Å; W51-P243 HydrophobicContact CZ2-CG 4.49Å; W51-P243 HydrophobicContact CZ3-CG 4.34Å; W58-P243 HydrophobicContact CB-CB 4.44Å; W58-P243 HydrophobicContact CD2-CB 3.52Å; W58-P243 HydrophobicContact CD2-CG 4.23Å; W58-P243 HydrophobicContact CE3-CB 3.97Å; W58-P243 HydrophobicContact CE3-CG 4.17Å; W58-P243 HydrophobicContact CG-CB 3.74Å; W58-P243 HydrophobicContact CZ2-CB 4.15Å; W58-P243 HydrophobicContact CZ3-CB 4.45Å; W58-P243 HydrophobicContact CZ3-CG 4.44Å
244	P	95.2	Very high	97.7	Very high	35 Å²	35	13.4 Å²	13.4	23%	0.227	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	cis	-82.5	10.1	9.4	-18.3	35.4	0	0	0	117.4	F246	P244-F246 VanDerWaalsContact C-N 3.32Å; P244-F246 HydrophobicContact CB-CD1 4.46Å; P244-F246 HydrophobicContact CB-CD2 4.29Å; P244-F246 HydrophobicContact CB-CE1 4.08Å; P244-F246 HydrophobicContact CB-CE2 3.91Å; P244-F246 HydrophobicContact CB-CZ 3.79Å; P244-F246 HydrophobicContact CG-CD2 4.33Å; P244-F246 HydrophobicContact CG-CE2 3.68Å; P244-F246 HydrophobicContact CG-CZ 3.82Å; P244-F246 PolarHBondContact O-N 3.36Å
245	C	96.8	Very high	97.5	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.069	C	C	.	.			trans	57.1	38.4	-179.7	-44.5	0	0	0	0	114.7	C61 Q67 I242 E247	C61-C245 VanDerWaalsContact CA-SG 3.57Å; C61-C245 HydrophobicContact CB-CB 3.86Å; C61-C245 WeakPolarHBondContact CB-SG 3.36Å; C61-C245 WeakPolarHBondContact SG-CB 3.38Å; C61-C245 CovalentContact SG-SG 2.04Å; C61-C245 PolarHBondContact SG-SG 3.48Å; Q67-C245 PolarHBondContact NE2-O 2.72Å; I242-C245 WeakPolarHBondContact O-CA 3.37Å; I242-C245 PolarHBondContact O-N 3.1Å; C245-E247 PolarHBondContact O-N 2.81Å
246	F	97.6	Very high	97.3	Very high	56 Å²	56	15.2 Å²	15.2	25%	0.246	8%	0.077	C	C	.	.			trans	-56.2	134.7	177.3	-66.9	-55	0	0	0	111.8	L60 A174 K175 S239 M240 P244 T248	L60-F246 HydrophobicContact CD1-CD1 3.9Å; A174-F246 HydrophobicContact CB-CD2 4.47Å; A174-F246 WeakPolarHBondContact O-CB 3.04Å; A174-F246 WeakPolarHBondContact O-CD2 3.36Å; A174-F246 WeakPolarHBondContact O-CG 3.41Å; K175-F246 HydrophobicContact CB-CD1 4.43Å; K175-F246 HydrophobicContact CB-CD2 4.34Å; K175-F246 HydrophobicContact CB-CE1 4.18Å; K175-F246 HydrophobicContact CB-CE2 4.07Å; K175-F246 HydrophobicContact CB-CZ 3.99Å; S239-F246 CarbonylContact C-O 3.58Å; S239-F246 WeakPolarHBondContact CA-O 3.34Å; S239-F246 VanDerWaalsContact CB-O 3.24Å; S239-F246 WeakPolarHBondContact CB-O 3.49Å; M240-F246 PolarHBondContact N-O 2.87Å; M240-F246 HydrophobicContact SD-CB 4.42Å; M240-F246 HydrophobicContact SD-CD2 4.18Å; P244-F246 VanDerWaalsContact C-N 3.32Å; P244-F246 HydrophobicContact CB-CD1 4.46Å; P244-F246 HydrophobicContact CB-CD2 4.29Å; P244-F246 HydrophobicContact CB-CE1 4.08Å; P244-F246 HydrophobicContact CB-CE2 3.91Å; P244-F246 HydrophobicContact CB-CZ 3.79Å; P244-F246 HydrophobicContact CG-CD2 4.33Å; P244-F246 HydrophobicContact CG-CE2 3.68Å; P244-F246 HydrophobicContact CG-CZ 3.82Å; P244-F246 PolarHBondContact O-N 3.36Å; F246-T248 VanDerWaalsContact C-N 3.28Å; F246-T248 HydrophobicContact CB-CG2 4.24Å; F246-T248 PolarHBondContact O-N 2.98Å
247	E	97.8	Very high	97.2	Very high	31 Å²	31	15.2 Å²	15.2	15%	0.145	8%	0.077	C	C	.	.	S	Bend	trans	-90.3	57.5	-179	-58.8	-167.5	159.1	0	0	112.1	G64 K65 R66 Q67 G238 C245	G64-E247 WeakPolarHBondContact CA-OE1 3.4Å; K65-E247 PolarHBondContact N-OE1 2.9Å; R66-E247 WeakPolarHBondContact CA-OE1 3.46Å; R66-E247 HydrophobicContact CB-CB 4.31Å; R66-E247 HydrophobicContact CB-CG 4.27Å; R66-E247 IonicContact CZ-OE2 2.88Å; R66-E247 VanDerWaalsContact N-CD 3.35Å; R66-E247 PolarHBondContact N-OE1 2.68Å; R66-E247 IonicContact NE-OE2 3.99Å; R66-E247 PolarHBondContact NE-OE2 2.84Å; R66-E247 PolarHBondContact NH2-O 3.14Å; R66-E247 IonicContact NH2-OE2 3.92Å; Q67-E247 PolarHBondContact NE2-OE1 2.95Å; G238-E247 CarbonylContact O-C 3.48Å; G238-E247 WeakPolarHBondContact O-CA 3.44Å; C245-E247 PolarHBondContact O-N 2.81Å
248	T	97.4	Very high	97.2	Very high	19 Å²	19	12 Å²	12	12%	0.117	6%	0.063	C	C	.	.			trans	-124.7	7	-171.3	53.9	0	0	0	0	112.3	A174 S176 L180 F246	A174-T248 WeakPolarHBondContact O-CG2 3.09Å; A174-T248 PolarHBondContact O-OG1 2.76Å; S176-T248 WeakPolarHBondContact O-CB 3.4Å; S176-T248 VanDerWaalsContact O-CG2 3.23Å; S176-T248 WeakPolarHBondContact O-CG2 3.34Å; L180-T248 PolarHBondContact N-O 3.46Å; F246-T248 VanDerWaalsContact C-N 3.28Å; F246-T248 HydrophobicContact CB-CG2 4.24Å; F246-T248 PolarHBondContact O-N 2.98Å
249	A	98.1	Very high	97.1	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	123.6	-171.9	0	0	0	0	0	111.8	L180 I182 G238	L180-A249 HydrophobicContact CB-CB 4.08Å; L180-A249 WeakPolarHBondContact O-CA 3.47Å; I182-A249 HydrophobicContact CD1-CB 3.82Å; I182-A249 HydrophobicContact CG1-CB 4.24Å; G238-A249 CarbonylContact C-O 3.58Å; G238-A249 WeakPolarHBondContact CA-O 3.22Å; G238-A249 PolarHBondContact N-O 2.96Å; G238-A249 PolarHBondContact O-N 2.93Å
250	T	98.6	Very high	97.1	Very high	13 Å²	13	15.7 Å²	15.7	8%	0.08	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	121	162.7	-54.4	0	0	0	0	108.6	P122 L180 V181 I182 E237	P122-T250 HydrophobicContact CB-CG2 4.16Å; P122-T250 HydrophobicContact CG-CG2 3.84Å; L180-T250 PolarHBondContact O-N 2.8Å; V181-T250 WeakPolarHBondContact CA-O 3.47Å; I182-T250 PolarHBondContact N-O 3.2Å; E237-T250 WeakPolarHBondContact OE1-CG2 3.37Å; E237-T250 PolarHBondContact OE1-OG1 3.12Å; E237-T250 PolarHBondContact OE2-OG1 3.27Å
251	W	98.8	Very high	97.1	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	142.8	179.4	-77.8	85.4	0	0	0	111.6	S68 H146 Q158 I182 T235 Y236 S239 T241 L253	S68-W251 PolarHBondContact OG-NE1 3.24Å; H146-W251 AromaticContact CE1-CD2 3.76Å; H146-W251 AromaticContact CE1-CE3 3.38Å; H146-W251 AromaticContact CE1-CH2 3.8Å; H146-W251 AromaticContact CE1-CZ3 3.39Å; H146-W251 WeakPolarHBondContact CE1-CZ3 3.45Å; H146-W251 AromaticContact NE2-CD2 3.99Å; H146-W251 AromaticContact NE2-CE3 3.98Å; Q158-W251 HydrophobicContact CG-CH2 4.17Å; Q158-W251 HydrophobicContact CG-CZ3 4.06Å; I182-W251 HydrophobicContact CB-CD2 4.08Å; I182-W251 HydrophobicContact CB-CE3 3.89Å; I182-W251 HydrophobicContact CB-CH2 4.1Å; I182-W251 HydrophobicContact CB-CZ2 4.24Å; I182-W251 HydrophobicContact CB-CZ3 3.91Å; I182-W251 HydrophobicContact CD1-CH2 4.01Å; I182-W251 HydrophobicContact CD1-CZ2 3.61Å; I182-W251 HydrophobicContact CG2-CD2 4.42Å; I182-W251 HydrophobicContact CG2-CE3 3.8Å; I182-W251 HydrophobicContact CG2-CH2 3.55Å; I182-W251 HydrophobicContact CG2-CZ2 4.17Å; I182-W251 HydrophobicContact CG2-CZ3 3.33Å; I182-W251 WeakPolarHBondContact O-CA 3.22Å; T235-W251 WeakPolarHBondContact CA-O 3.41Å; T235-W251 VanDerWaalsContact CB-O 3.25Å; T235-W251 WeakPolarHBondContact CB-O 3.48Å; T235-W251 PolarHBondContact OG1-O 3.22Å; Y236-W251 HydrophobicContact CD1-CB 3.74Å; Y236-W251 HydrophobicContact CD1-CG 4.48Å; Y236-W251 HydrophobicContact CE1-CB 3.38Å; Y236-W251 AromaticContact CE1-CG 3.73Å; Y236-W251 HydrophobicContact CE1-CG 3.73Å; Y236-W251 AromaticContact CE2-CD1 4Å; Y236-W251 HydrophobicContact CE2-CG 4.41Å; Y236-W251 HydrophobicContact CG-CB 4.45Å; Y236-W251 AromaticContact CZ-CD1 3.63Å; Y236-W251 AromaticContact CZ-CG 3.67Å; Y236-W251 PolarHBondContact N-O 3.38Å; Y236-W251 PolarHBondContact O-N 2.84Å; S239-W251 PolarHBondContact O-NE1 3.07Å; T241-W251 HydrophobicContact CG2-CH2 4.03Å; T241-W251 HydrophobicContact CG2-CZ2 3.73Å; W251-L253 HydrophobicContact CB-CD1 4.12Å
252	I	98.8	Very high	97.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	110.6	173.9	-62.9	177.8	0	0	0	108	I86 P122 M123 V181 I182 V183 S184 F233 I234 M254	I86-I252 HydrophobicContact CD1-CD1 4.1Å; I86-I252 HydrophobicContact CD1-CG2 3.43Å; I86-I252 VanDerWaalsContact CD1-CG2 3.43Å; I86-I252 HydrophobicContact CG1-CD1 4.5Å; P122-I252 HydrophobicContact CG-CD1 3.85Å; P122-I252 HydrophobicContact CG-CG1 3.89Å; M123-I252 HydrophobicContact CE-CD1 4.17Å; M123-I252 HydrophobicContact SD-CD1 4.49Å; V181-I252 HydrophobicContact CG1-CD1 3.7Å; V181-I252 HydrophobicContact CG1-CG1 4.25Å; I182-I252 PolarHBondContact O-N 3.19Å; V183-I252 CarbonylContact C-O 3.51Å; V183-I252 WeakPolarHBondContact CA-O 3.44Å; V183-I252 HydrophobicContact CG2-CB 4.32Å; S184-I252 PolarHBondContact N-O 3.24Å; F233-I252 HydrophobicContact CB-CG2 3.96Å; F233-I252 HydrophobicContact CD2-CG2 3.91Å; F233-I252 HydrophobicContact CG-CG2 3.98Å; I234-I252 CarbonylContact O-C 3.48Å; I234-I252 WeakPolarHBondContact O-CA 3.48Å; I252-M254 HydrophobicContact CG2-SD 4.15Å
253	L	98.6	Very high	97.1	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.01	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	115	177.5	-70.1	75.9	0	0	0	109.5	I72 H146 S184 F186 F233 I234 Y236 W251	I72-L253 HydrophobicContact CG1-CD2 3.91Å; H146-L253 HydrophobicContact CB-CD2 4Å; S184-L253 WeakPolarHBondContact O-CA 3.44Å; F186-L253 HydrophobicContact CZ-CD2 4.28Å; F233-L253 CarbonylContact C-O 3.57Å; F233-L253 WeakPolarHBondContact CA-O 2.99Å; F233-L253 WeakPolarHBondContact CB-O 3.48Å; I234-L253 HydrophobicContact CB-CB 4.28Å; I234-L253 PolarHBondContact N-O 3.01Å; I234-L253 PolarHBondContact O-N 3.21Å; Y236-L253 HydrophobicContact CD1-CD1 4.21Å; Y236-L253 HydrophobicContact CE1-CD1 3.88Å; W251-L253 HydrophobicContact CB-CD1 4.12Å
254	M	98	Very high	97.3	Very high	8 Å²	8	30.2 Å²	30.2	4%	0.039	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	124.9	-177	-63.6	-57.7	-65	0	0	111.7	I86 V183 S184 I185 Y227 P228 T230 F233 I252 K256 Y321	I86-M254 HydrophobicContact CD1-SD 3.93Å; V183-M254 HydrophobicContact CG1-CG 3.7Å; V183-M254 HydrophobicContact CG1-SD 4.12Å; S184-M254 PolarHBondContact O-N 2.91Å; I185-M254 HydrophobicContact CD1-CG 4.34Å; I185-M254 HydrophobicContact CG1-CB 4.16Å; I185-M254 HydrophobicContact CG1-CG 3.81Å; I185-M254 HydrophobicContact CG2-CB 4.45Å; Y227-M254 HydrophobicContact CD1-CE 4.49Å; P228-M254 HydrophobicContact CG-CB 3.8Å; P228-M254 HydrophobicContact CG-CE 4.41Å; P228-M254 HydrophobicContact CG-CG 4.37Å; T230-M254 HydrophobicContact CG2-CE 4.09Å; F233-M254 HydrophobicContact CB-SD 4.25Å; I252-M254 HydrophobicContact CG2-SD 4.15Å; M254-K256 PolarHBondContact O-N 3.19Å; M254-Y321 WeakPolarHBondContact O-CE1 3.47Å; M254-Y321 VanDerWaalsContact O-CZ 3.25Å; M254-Y321 PolarHBondContact O-OH 2.84Å
255	N	94.6	Very high	97.4	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	13%	0.129	C	C	.	.	S	Bend	trans	-72.7	43.8	-176.3	-176.4	34.7	0	0	0	114.4	S232 I302 K318 L319 Q320 Y321	S232-N255 WeakPolarHBondContact O-CB 3.18Å; S232-N255 PolarHBondContact O-N 2.91Å; N255-I302 HydrophobicContact CB-CD1 3.91Å; N255-I302 WeakPolarHBondContact ND2-CD1 3.5Å; N255-K318 PolarHBondContact ND2-O 2.86Å; N255-L319 VanDerWaalsContact OD1-CA 3.28Å; N255-L319 WeakPolarHBondContact OD1-CA 3.4Å; N255-Q320 VanDerWaalsContact O-CB 3.3Å; N255-Q320 WeakPolarHBondContact O-CB 3.33Å; N255-Q320 WeakPolarHBondContact O-CG 2.92Å; N255-Q320 PolarHBondContact OD1-N 2.88Å; N255-Y321 HydrophobicContact CB-CE2 4.38Å; N255-Y321 WeakPolarHBondContact OD1-CD2 3.11Å; N255-Y321 WeakPolarHBondContact OD1-CE2 2.93Å
256	K	94.8	Very high	97.5	Very high	38 Å²	38	33 Å²	33	17%	0.165	15%	0.15	C	C	.	.	S	Bend	trans	-168.3	133.6	171.4	-176.8	176.4	-174.2	-177.7	0	107	P228 E229 T230 M254 Q320	P228-K256 HydrophobicContact CB-CB 3.75Å; P228-K256 HydrophobicContact CB-CD 3.94Å; P228-K256 HydrophobicContact CB-CG 3.85Å; P228-K256 HydrophobicContact CG-CB 4.13Å; P228-K256 VanDerWaalsContact CG-O 3.28Å; P228-K256 WeakPolarHBondContact CG-O 3.44Å; E229-K256 IonicContact OE2-NZ 3.99Å; E229-K256 PolarHBondContact OE2-NZ 3.45Å; E229-K256 VanDerWaalsContact OE2-NZ 3.12Å; T230-K256 HydrophobicContact CG2-CB 3.69Å; M254-K256 PolarHBondContact O-N 3.19Å; K256-Q320 HydrophobicContact CB-CB 4.48Å; K256-Q320 VanDerWaalsContact CD-OE1 3.31Å
257	P	96.6	Very high	97.5	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.019	15%	0.148	C	C	.	.			trans	-73.8	160.8	176.8	32.1	-35.5	0	0	0	111.3	F186 K188 Y259	F186-P257 HydrophobicContact CB-CB 4.23Å; F186-P257 CarbonylContact O-C 3.48Å; F186-P257 WeakPolarHBondContact O-CA 3.03Å; F186-P257 WeakPolarHBondContact O-CB 3.15Å; K188-P257 HydrophobicContact CB-CB 3.91Å; K188-P257 HydrophobicContact CB-CG 4.01Å; K188-P257 HydrophobicContact CD-CG 4.41Å; P257-Y259 HydrophobicContact CG-CE1 4.09Å; P257-Y259 HydrophobicContact CG-CE2 4.48Å
258	V	97	Very high	97.5	Very high	5 Å²	5	30.4 Å²	30.4	3%	0.03	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	149.2	156.4	-74.3	0	0	0	0	109.6	V157 I185 F186 M187 K188 L197 I226	V157-V258 HydrophobicContact CG2-CG2 3.9Å; I185-V258 HydrophobicContact CG2-CB 4.38Å; I185-V258 HydrophobicContact CG2-CG1 3.86Å; I185-V258 HydrophobicContact CG2-CG2 4.09Å; F186-V258 WeakPolarHBondContact O-CG2 3.41Å; F186-V258 PolarHBondContact O-N 3.03Å; M187-V258 WeakPolarHBondContact CA-O 3.41Å; M187-V258 HydrophobicContact CG-CG2 3.87Å; K188-V258 PolarHBondContact N-O 3.13Å; L197-V258 HydrophobicContact CD1-CB 4.3Å; L197-V258 HydrophobicContact CD1-CG2 4.1Å; I226-V258 WeakPolarHBondContact O-CG1 3.45Å
259	Y	96.5	Very high	97.5	Very high	79 Å²	79	31.5 Å²	31.5	31%	0.31	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	137.2	-176.6	-63	-78.3	0	0	0	110.3	K188 A190 S193 N194 P257	K188-Y259 HydrophobicContact CB-CD1 4.18Å; K188-Y259 HydrophobicContact CB-CE1 4.22Å; K188-Y259 HydrophobicContact CD-CE1 4.15Å; K188-Y259 HydrophobicContact CG-CE1 4.36Å; K188-Y259 VanDerWaalsContact O-CA 3.32Å; K188-Y259 WeakPolarHBondContact O-CA 3.42Å; A190-Y259 HydrophobicContact CB-CD1 3.64Å; A190-Y259 HydrophobicContact CB-CE1 4.47Å; A190-Y259 HydrophobicContact CB-CG 4.17Å; S193-Y259 VanDerWaalsContact CA-O 3.24Å; S193-Y259 WeakPolarHBondContact CA-O 3.42Å; S193-Y259 PolarHBondContact OG-O 2.93Å; N194-Y259 PolarHBondContact N-O 3.29Å; N194-Y259 VanDerWaalsContact N-O 3.1Å; N194-Y259 PolarHBondContact OD1-O 2.65Å; N194-Y259 VanDerWaalsContact OD1-O 3.12Å; P257-Y259 HydrophobicContact CG-CE1 4.09Å; P257-Y259 HydrophobicContact CG-CE2 4.48Å
260	L	97.4	Very high	97.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	155.3	170	72.4	165.1	0	0	0	110.9	M187 K188 I189 A190 L197 L201 Q264 M265 L268	M187-L260 HydrophobicContact CB-CD2 3.73Å; M187-L260 HydrophobicContact CG-CD2 4.49Å; M187-L260 HydrophobicContact SD-CD2 4.47Å; K188-L260 PolarHBondContact O-N 2.77Å; K188-L260 VanDerWaalsContact O-N 3.16Å; I189-L260 CarbonylContact C-O 3.55Å; I189-L260 VanDerWaalsContact CA-O 3.29Å; I189-L260 WeakPolarHBondContact CA-O 3.1Å; A190-L260 PolarHBondContact N-O 3.26Å; L197-L260 HydrophobicContact CD1-CB 4.03Å; L201-L260 HydrophobicContact CD1-CD1 4.48Å; L260-Q264 HydrophobicContact CB-CB 4.25Å; L260-Q264 HydrophobicContact CD1-CB 4.18Å; L260-M265 HydrophobicContact CD1-CB 3.94Å; L260-M265 HydrophobicContact CD1-CE 3.71Å; L260-M265 HydrophobicContact CD1-SD 4.36Å; L260-M265 HydrophobicContact CD2-CE 4.02Å; L260-M265 HydrophobicContact CG-CB 4.45Å; L260-M265 HydrophobicContact CG-CE 4.3Å; L260-L268 HydrophobicContact CD1-CD1 4.04Å
261	T	98.1	Very high	97.4	Very high	32 Å²	32	35.3 Å²	35.3	20%	0.196	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	158	177.3	66.4	0	0	0	0	111.4	A190 E191 M263 Q264 M265	A190-T261 WeakPolarHBondContact O-CA 3.45Å; E191-T261 WeakPolarHBondContact O-CG2 3.4Å; T261-M263 PolarHBondContact O-N 3.4Å; T261-Q264 PolarHBondContact O-N 3.48Å; T261-Q264 VanDerWaalsContact O-N 3.13Å; T261-Q264 WeakPolarHBondContact OG1-CG 3.37Å; T261-Q264 PolarHBondContact OG1-N 3.38Å; T261-Q264 VanDerWaalsContact OG1-N 3.15Å; T261-Q264 PolarHBondContact OG1-OE1 3.31Å; T261-M265 PolarHBondContact O-N 3.06Å
262	R	97.5	Very high	97.3	Very high	170 Å²	170	35.3 Å²	35.3	64%	0.642	16%	0.163	S	C	*	.	H	α-helix	trans	-55.8	-35.7	171.9	-173.6	174.5	-71	111.7	-1.1	112	I189 M265 H266	I189-R262 HydrophobicContact CG2-CB 4.14Å; R262-M265 PolarHBondContact O-N 3.4Å; R262-H266 WeakPolarHBondContact O-CB 3.32Å; R262-H266 PolarHBondContact O-N 3.07Å
263	M	97.2	Very high	97.1	Very high	129 Å²	129	35.9 Å²	35.9	64%	0.635	17%	0.165	S	C	*	.	H	α-helix	trans	-67.2	-41.8	177.3	-69.9	-55.5	-56.5	0	0	112.6	T261 H266 S267	T261-M263 PolarHBondContact O-N 3.4Å; M263-H266 PolarHBondContact O-N 2.68Å; M263-S267 WeakPolarHBondContact O-CB 3.35Å; M263-S267 PolarHBondContact O-N 3.2Å; M263-S267 PolarHBondContact O-OG 3.13Å
264	Q	98.1	Very high	96.8	Very high	13 Å²	13	36.7 Å²	36.7	6%	0.061	17%	0.17	C	C	.	.	H	α-helix	trans	-63.6	-44.7	175	-76.3	164.5	-35	0	0	111.4	S193 L197 N198 L201 L260 T261 H266 S267 L268	S193-Q264 PolarHBondContact OG-NE2 3.36Å; S193-Q264 PolarHBondContact OG-OE1 3.08Å; L197-Q264 PolarHBondContact O-NE2 2.97Å; N198-Q264 PolarHBondContact OD1-NE2 3.29Å; L201-Q264 HydrophobicContact CB-CB 4.36Å; L201-Q264 HydrophobicContact CB-CG 4.04Å; L201-Q264 HydrophobicContact CD1-CB 4.47Å; L260-Q264 HydrophobicContact CB-CB 4.25Å; L260-Q264 HydrophobicContact CD1-CB 4.18Å; T261-Q264 PolarHBondContact O-N 3.48Å; T261-Q264 VanDerWaalsContact O-N 3.13Å; T261-Q264 WeakPolarHBondContact OG1-CG 3.37Å; T261-Q264 PolarHBondContact OG1-N 3.38Å; T261-Q264 VanDerWaalsContact OG1-N 3.15Å; T261-Q264 PolarHBondContact OG1-OE1 3.31Å; Q264-H266 PolarHBondContact O-N 3.35Å; Q264-S267 PolarHBondContact O-N 2.84Å; Q264-L268 PolarHBondContact O-N 3.1Å
265	M	98	Very high	96.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-62.5	-43.4	176	-175.1	56.3	79.3	0	0	111.9	F136 I189 L260 T261 R262 S267 L268 R269	F136-M265 HydrophobicContact CB-CE 4.49Å; F136-M265 HydrophobicContact CB-SD 4.12Å; I189-M265 HydrophobicContact CD1-CB 4.18Å; I189-M265 HydrophobicContact CD1-CG 4.01Å; I189-M265 HydrophobicContact CG1-CB 4.27Å; I189-M265 HydrophobicContact CG1-CG 4.43Å; L260-M265 HydrophobicContact CD1-CB 3.94Å; L260-M265 HydrophobicContact CD1-CE 3.71Å; L260-M265 HydrophobicContact CD1-SD 4.36Å; L260-M265 HydrophobicContact CD2-CE 4.02Å; L260-M265 HydrophobicContact CG-CB 4.45Å; L260-M265 HydrophobicContact CG-CE 4.3Å; T261-M265 PolarHBondContact O-N 3.06Å; R262-M265 PolarHBondContact O-N 3.4Å; M265-S267 VanDerWaalsContact C-N 3.26Å; M265-S267 PolarHBondContact O-N 3.28Å; M265-L268 WeakPolarHBondContact O-CB 3.45Å; M265-L268 PolarHBondContact O-N 2.97Å; M265-L268 HydrophobicContact SD-CD1 4.23Å; M265-R269 VanDerWaalsContact CG-CZ 3.45Å; M265-R269 WeakPolarHBondContact O-CG 3.41Å; M265-R269 PolarHBondContact O-N 2.8Å; M265-R269 VanDerWaalsContact O-N 3.08Å
266	H	97.4	Very high	96.4	Very high	95 Å²	95	44.4 Å²	44.4	44%	0.44	21%	0.213	S	C	.	.	H	α-helix	trans	-59	-40.3	174.7	-176.7	68.1	0	0	0	111.8	R262 M263 Q264 R269 L270	R262-H266 WeakPolarHBondContact O-CB 3.32Å; R262-H266 PolarHBondContact O-N 3.07Å; M263-H266 PolarHBondContact O-N 2.68Å; Q264-H266 PolarHBondContact O-N 3.35Å; H266-R269 PolarHBondContact O-N 2.95Å; H266-L270 WeakPolarHBondContact O-CG 3.36Å; H266-L270 PolarHBondContact O-N 3.12Å
267	S	97.6	Very high	96.3	Very high	31 Å²	31	47.7 Å²	47.7	22%	0.217	24%	0.241	C	C	.	.	H	α-helix	trans	-67	-37.8	179.4	-54.7	0	0	0	0	112.1	M263 Q264 M265 L270	M263-S267 WeakPolarHBondContact O-CB 3.35Å; M263-S267 PolarHBondContact O-N 3.2Å; M263-S267 PolarHBondContact O-OG 3.13Å; Q264-S267 PolarHBondContact O-N 2.84Å; M265-S267 VanDerWaalsContact C-N 3.26Å; M265-S267 PolarHBondContact O-N 3.28Å; S267-L270 PolarHBondContact O-N 3.35Å
268	L	98.1	Very high	95.9	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-60.1	-44.2	171.1	-75	170.5	0	0	0	111.9	V106 L134 F136 L201 I206 L260 Q264 M265 L270 L271	V106-L268 HydrophobicContact CG2-CD2 4.23Å; L134-L268 HydrophobicContact CD1-CD2 4.07Å; F136-L268 HydrophobicContact CD1-CB 4.33Å; F136-L268 HydrophobicContact CD1-CD1 4.38Å; F136-L268 HydrophobicContact CD1-CD2 4.35Å; F136-L268 HydrophobicContact CD2-CB 4.03Å; F136-L268 HydrophobicContact CE1-CB 4.26Å; F136-L268 HydrophobicContact CE1-CD2 4.06Å; F136-L268 HydrophobicContact CE2-CB 3.94Å; F136-L268 WeakPolarHBondContact CE2-O 3.07Å; F136-L268 HydrophobicContact CG-CB 4.22Å; F136-L268 HydrophobicContact CG-CD1 4.48Å; F136-L268 HydrophobicContact CZ-CB 4.06Å; F136-L268 HydrophobicContact CZ-CD2 4.46Å; F136-L268 WeakPolarHBondContact CZ-O 3.32Å; L201-L268 HydrophobicContact CD1-CD1 3.99Å; L201-L268 HydrophobicContact CD1-CG 4.34Å; L201-L268 HydrophobicContact CD2-CD2 3.89Å; L201-L268 HydrophobicContact CD2-CG 4.44Å; I206-L268 HydrophobicContact CD1-CD2 4.13Å; L260-L268 HydrophobicContact CD1-CD1 4.04Å; Q264-L268 PolarHBondContact O-N 3.1Å; M265-L268 WeakPolarHBondContact O-CB 3.45Å; M265-L268 PolarHBondContact O-N 2.97Å; M265-L268 HydrophobicContact SD-CD1 4.23Å; L268-L270 PolarHBondContact O-N 3.45Å; L268-L271 HydrophobicContact CD2-CD1 4.13Å; L268-L271 WeakPolarHBondContact O-CB 3.26Å; L268-L271 WeakPolarHBondContact O-CG 3.41Å; L268-L271 PolarHBondContact O-N 2.99Å
269	R	97.6	Very high	95.6	Very high	43 Å²	43	58 Å²	58	16%	0.162	29%	0.292	C	S	.	.	H	α-helix	trans	-65.2	-18.6	178.8	-67.7	171.8	-179.4	155.4	3.6	113.3	F136 G137 S138 E139 D140 M265 H266 S282	F136-R269 HydrophobicContact CD2-CG 4.45Å; G137-R269 PolarHBondContact O-NE 3.32Å; S138-R269 WeakPolarHBondContact O-CD 3.37Å; S138-R269 VanDerWaalsContact O-CZ 3.32Å; S138-R269 PolarHBondContact O-NE 2.82Å; S138-R269 VanDerWaalsContact O-NE 3.1Å; E139-R269 PolarHBondContact O-NH2 3.26Å; D140-R269 IonicContact OD1-CZ 3.97Å; D140-R269 VanDerWaalsContact OD1-CZ 3.29Å; D140-R269 IonicContact OD1-NH1 3.5Å; D140-R269 PolarHBondContact OD1-NH1 3.32Å; D140-R269 IonicContact OD1-NH2 3.77Å; D140-R269 PolarHBondContact OD1-NH2 2.81Å; M265-R269 VanDerWaalsContact CG-CZ 3.45Å; M265-R269 WeakPolarHBondContact O-CG 3.41Å; M265-R269 PolarHBondContact O-N 2.8Å; M265-R269 VanDerWaalsContact O-N 3.08Å; H266-R269 PolarHBondContact O-N 2.95Å; R269-S282 PolarHBondContact O-OG 3.33Å
270	L	97.4	Very high	95.5	Very high	90 Å²	90	59.1 Å²	59.1	47%	0.471	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-1.4	174.9	-67.1	178.1	0	0	0	114.1	H266 S267 L268 F280	H266-L270 WeakPolarHBondContact O-CG 3.36Å; H266-L270 PolarHBondContact O-N 3.12Å; S267-L270 PolarHBondContact O-N 3.35Å; L268-L270 PolarHBondContact O-N 3.45Å; L270-F280 VanDerWaalsContact O-CE2 3.32Å; L270-F280 WeakPolarHBondContact O-CE2 3.38Å
271	L	97.9	Very high	95.3	Very high	3 Å²	3	60.9 Å²	60.9	2%	0.016	31%	0.308	C	S	.	.			trans	-70.6	139.1	170.7	-58.3	-177.7	0	0	0	110	V106 I206 I209 L268 S282 M283	V106-L271 HydrophobicContact CG2-CD1 3.3Å; I206-L271 HydrophobicContact CD1-CD1 3.98Å; I206-L271 HydrophobicContact CD1-CD2 4.03Å; I206-L271 HydrophobicContact CD1-CG 4.35Å; I206-L271 HydrophobicContact CG1-CD2 4.17Å; I209-L271 HydrophobicContact CD1-CD1 4.09Å; I209-L271 HydrophobicContact CG1-CD2 4.28Å; I209-L271 WeakPolarHBondContact O-CD2 3.31Å; L268-L271 HydrophobicContact CD2-CD1 4.13Å; L268-L271 WeakPolarHBondContact O-CB 3.26Å; L268-L271 WeakPolarHBondContact O-CG 3.41Å; L268-L271 PolarHBondContact O-N 2.99Å; L271-S282 CarbonylContact O-C 3.51Å; L271-S282 WeakPolarHBondContact O-CA 3.39Å; L271-M283 HydrophobicContact CB-CB 4.06Å; L271-M283 HydrophobicContact CB-CE 4.34Å; L271-M283 HydrophobicContact CB-SD 4.41Å; L271-M283 HydrophobicContact CD1-SD 4.33Å; L271-M283 WeakPolarHBondContact O-CB 3.22Å; L271-M283 PolarHBondContact O-N 3.23Å
272	S	96.2	Very high	95.2	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-97.9	140.3	179.9	-173	0	0	0	0	111.4	N101 T210 N274 L281	N101-S272 PolarHBondContact ND2-O 3.24Å; N101-S272 PolarHBondContact OD1-O 2.94Å; T210-S272 PolarHBondContact O-N 3.23Å; S272-N274 PolarHBondContact OG-N 2.97Å; S272-N274 VanDerWaalsContact OG-N 3.12Å; S272-N274 PolarHBondContact OG-O 2.81Å; S272-L281 CarbonylContact C-O 3.5Å; S272-L281 WeakPolarHBondContact CA-O 3.37Å
273	Q	93.8	Very high	95.1	Very high	11 Å²	11	52.4 Å²	52.4	5%	0.051	28%	0.276	C	S	.	.	S	Bend	trans	-74.1	-16	167.3	-60.9	-170.6	-2.5	0	0	112.5	G103 K212 L281 S282 M283	G103-Q273 WeakPolarHBondContact O-CA 3.23Å; G103-Q273 WeakPolarHBondContact O-CB 3.41Å; G103-Q273 WeakPolarHBondContact O-CG 3.45Å; K212-Q273 WeakPolarHBondContact CB-O 3.31Å; K212-Q273 WeakPolarHBondContact CD-O 3.38Å; Q273-L281 HydrophobicContact CB-CD2 4.47Å; Q273-L281 PolarHBondContact N-O 3.29Å; Q273-S282 PolarHBondContact NE2-O 2.99Å; Q273-M283 VanDerWaalsContact CG-CA 3.47Å; Q273-M283 HydrophobicContact CG-CB 4.1Å
274	N	92.8	Very high	95.1	Very high	19 Å²	19	46.5 Å²	46.5	10%	0.102	25%	0.247	C	C	.	.	S	Bend	trans	-107.2	165.9	-173.5	-74	-19.4	0	0	0	111.4	K212 S272 Q278 I279 L281	K212-N274 PolarHBondContact N-O 2.73Å; K212-N274 VanDerWaalsContact N-O 3.08Å; S272-N274 PolarHBondContact OG-N 2.97Å; S272-N274 VanDerWaalsContact OG-N 3.12Å; S272-N274 PolarHBondContact OG-O 2.81Å; N274-Q278 HydrophobicContact CB-CB 3.86Å; N274-I279 PolarHBondContact ND2-O 2.79Å; N274-L281 WeakPolarHBondContact ND2-CB 3.35Å
275	Q	92.8	Very high	95	Very high	86 Å²	86	48.4 Å²	48.4	40%	0.402	26%	0.258	S	S	.	.			trans	-75.7	163	171.4	-71.7	178.9	63.9	0	0	111.2	K212 S277 Q278	K212-Q275 HydrophobicContact CB-CG 4.44Å; Q275-S277 PolarHBondContact O-N 2.84Å; Q275-S277 VanDerWaalsContact O-N 3.12Å; Q275-Q278 PolarHBondContact O-N 3.35Å
276	P	92.4	Very high	95	Very high	85 Å²	85	48.4 Å²	48.4	55%	0.552	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-26.5	-177.2	-22.6	30.9	0	0	0	115.2	Y211 Q278	Y211-P276 HydrophobicContact CD1-CB 4.26Å; Y211-P276 HydrophobicContact CD1-CG 4.04Å; Y211-P276 HydrophobicContact CD2-CB 4.31Å; Y211-P276 HydrophobicContact CD2-CG 3.7Å; Y211-P276 HydrophobicContact CE1-CB 4.28Å; Y211-P276 HydrophobicContact CE1-CG 4.49Å; Y211-P276 HydrophobicContact CE2-CB 4.31Å; Y211-P276 HydrophobicContact CE2-CG 4.17Å; Y211-P276 HydrophobicContact CG-CB 4.27Å; Y211-P276 HydrophobicContact CG-CG 3.62Å; P276-Q278 VanDerWaalsContact C-N 3.28Å; P276-Q278 PolarHBondContact O-N 3.29Å
277	S	91.1	Very high	94.9	Very high	108 Å²	108	45.7 Å²	45.7	76%	0.755	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-4	-180	55.9	0	0	0	0	114.3	Q275	Q275-S277 PolarHBondContact O-N 2.84Å; Q275-S277 VanDerWaalsContact O-N 3.12Å
278	Q	89.9	Confident	94.9	Very high	72 Å²	72	44.3 Å²	44.3	34%	0.336	24%	0.238	S	C	.	.	S	Bend	trans	-110.9	159.8	-176.1	-67.7	178.2	-37.9	0	0	110.6	Q41 N274 Q275 P276 F280	Q41-Q278 VanDerWaalsContact NE2-NE2 3.12Å; N274-Q278 HydrophobicContact CB-CB 3.86Å; Q275-Q278 PolarHBondContact O-N 3.35Å; P276-Q278 VanDerWaalsContact C-N 3.28Å; P276-Q278 PolarHBondContact O-N 3.29Å; Q278-F280 PolarHBondContact O-N 3.21Å
279	I	90.6	Very high	94.9	Very high	153 Å²	153	48 Å²	48	79%	0.785	26%	0.262	S	S	*	.			trans	-55.7	131.6	175.7	-61.9	173.4	0	0	0	109	N274 L281	N274-I279 PolarHBondContact ND2-O 2.79Å; I279-L281 PolarHBondContact O-N 3.31Å
280	F	93.4	Very high	94.9	Very high	101 Å²	101	48.8 Å²	48.8	44%	0.443	27%	0.271	S	S	.	.			trans	-55.6	126.6	177.2	177.1	-94	0	0	0	110.4	L270 Q278	L270-F280 VanDerWaalsContact O-CE2 3.32Å; L270-F280 WeakPolarHBondContact O-CE2 3.38Å; Q278-F280 PolarHBondContact O-N 3.21Å
281	L	93.3	Very high	94.9	Very high	38 Å²	38	46.6 Å²	46.6	20%	0.199	26%	0.259	C	S	.	.			trans	-132.1	112.2	173	-177.7	63.4	0	0	0	107.7	V39 S272 Q273 N274 I279 M283	V39-L281 HydrophobicContact CG1-CD2 4.25Å; S272-L281 CarbonylContact C-O 3.5Å; S272-L281 WeakPolarHBondContact CA-O 3.37Å; Q273-L281 HydrophobicContact CB-CD2 4.47Å; Q273-L281 PolarHBondContact N-O 3.29Å; N274-L281 WeakPolarHBondContact ND2-CB 3.35Å; I279-L281 PolarHBondContact O-N 3.31Å; L281-M283 PolarHBondContact O-N 2.86Å
282	S	95.2	Very high	94.9	Very high	23 Å²	23	50.3 Å²	50.3	16%	0.161	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-57.4	138	-177.3	177.6	0	0	0	0	111.5	K37 R269 L271 Q273 S284	K37-S282 WeakPolarHBondContact CE-O 3.47Å; K37-S282 PolarHBondContact NZ-O 3.5Å; R269-S282 PolarHBondContact O-OG 3.33Å; L271-S282 CarbonylContact O-C 3.51Å; L271-S282 WeakPolarHBondContact O-CA 3.39Å; Q273-S282 PolarHBondContact NE2-O 2.99Å; S282-S284 WeakPolarHBondContact CB-OG 3.43Å; S282-S284 PolarHBondContact O-N 3.02Å; S282-S284 WeakPolarHBondContact OG-CB 3.48Å; S282-S284 PolarHBondContact OG-N 3.1Å; S282-S284 PolarHBondContact OG-OG 2.77Å
283	M	96.1	Very high	94.9	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	30%	0.296	C	S	.	.			trans	-67.4	-19.5	173.6	-176.4	-177.7	-68.9	0	0	113.4	N101 H105 V106 F136 L271 Q273 L281 N286	N101-M283 HydrophobicContact CB-CE 4.23Å; N101-M283 WeakPolarHBondContact ND2-CE 3.37Å; N101-M283 WeakPolarHBondContact OD1-CE 3.08Å; H105-M283 VanDerWaalsContact CA-SD 3.54Å; V106-M283 HydrophobicContact CG2-SD 3.91Å; F136-M283 HydrophobicContact CE1-CG 4.37Å; F136-M283 HydrophobicContact CE1-SD 4.08Å; F136-M283 HydrophobicContact CE2-CB 4.44Å; F136-M283 HydrophobicContact CZ-CB 3.94Å; F136-M283 HydrophobicContact CZ-CG 3.79Å; F136-M283 HydrophobicContact CZ-SD 3.86Å; L271-M283 HydrophobicContact CB-CB 4.06Å; L271-M283 HydrophobicContact CB-CE 4.34Å; L271-M283 HydrophobicContact CB-SD 4.41Å; L271-M283 HydrophobicContact CD1-SD 4.33Å; L271-M283 WeakPolarHBondContact O-CB 3.22Å; L271-M283 PolarHBondContact O-N 3.23Å; Q273-M283 VanDerWaalsContact CG-CA 3.47Å; Q273-M283 HydrophobicContact CG-CB 4.1Å; L281-M283 PolarHBondContact O-N 2.86Å; M283-N286 WeakPolarHBondContact O-CB 3.18Å
284	S	96.8	Very high	95	Very high	6 Å²	6	55.7 Å²	55.7	4%	0.042	31%	0.312	C	S	.	.			trans	-51.9	158.4	177.4	57	0	0	0	0	113.5	K37 S282 N286	K37-S284 PolarHBondContact NZ-O 2.65Å; S282-S284 WeakPolarHBondContact CB-OG 3.43Å; S282-S284 PolarHBondContact O-N 3.02Å; S282-S284 WeakPolarHBondContact OG-CB 3.48Å; S282-S284 PolarHBondContact OG-N 3.1Å; S282-S284 PolarHBondContact OG-OG 2.77Å; S284-N286 PolarHBondContact O-N 3.37Å
285	D	96.8	Very high	95	Very high	53 Å²	53	62.7 Å²	62.7	28%	0.283	35%	0.349	S	S	.	.			trans	63.2	34.9	-175.2	-48.5	-43.6	0	0	0	111.4	F136 G137 S138 V287	F136-D285 PolarHBondContact O-N 3.32Å; G137-D285 WeakPolarHBondContact CA-OD1 3.48Å; S138-D285 VanDerWaalsContact CB-OD2 3.3Å; S138-D285 WeakPolarHBondContact CB-OD2 3.43Å; S138-D285 PolarHBondContact N-OD1 2.9Å; S138-D285 PolarHBondContact OG-OD1 3.11Å; S138-D285 VanDerWaalsContact OG-OD1 3.08Å; S138-D285 PolarHBondContact OG-OD2 2.74Å; D285-V287 PolarHBondContact O-N 3.33Å
286	N	97.1	Very high	95.2	Very high	0 Å²	0	60 Å²	60	0%	0	34%	0.335	C	S	.	.			trans	-82.2	49.1	173.8	64.5	-23.5	0	0	0	112.1	Y36 R104 L134 H135 F136 M283 S284	Y36-N286 VanDerWaalsContact CD1-C 3.5Å; Y36-N286 HydrophobicContact CD2-CB 3.59Å; Y36-N286 WeakPolarHBondContact CE1-O 3.28Å; Y36-N286 HydrophobicContact CE2-CB 3.84Å; Y36-N286 HydrophobicContact CG-CB 4.13Å; R104-N286 WeakPolarHBondContact O-CB 3.25Å; R104-N286 PolarHBondContact O-ND2 3.22Å; R104-N286 VanDerWaalsContact O-ND2 3.14Å; L134-N286 PolarHBondContact O-ND2 3.49Å; L134-N286 VanDerWaalsContact O-ND2 3.07Å; H135-N286 WeakPolarHBondContact CA-OD1 3.45Å; H135-N286 PolarHBondContact ND1-O 2.78Å; F136-N286 PolarHBondContact N-OD1 2.97Å; F136-N286 PolarHBondContact O-OD1 3.14Å; F136-N286 VanDerWaalsContact O-OD1 3.06Å; M283-N286 WeakPolarHBondContact O-CB 3.18Å; S284-N286 PolarHBondContact O-N 3.37Å
287	V	96.9	Very high	95.3	Very high	37 Å²	37	59.9 Å²	59.9	22%	0.224	34%	0.336	C	S	.	.			trans	-117	139.6	-174	-65.2	0	0	0	0	111.2	H135 G143 E145 D285	H135-V287 HydrophobicContact CB-CG1 4.23Å; G143-V287 WeakPolarHBondContact O-CG1 3.48Å; E145-V287 HydrophobicContact CG-CB 4.1Å; E145-V287 HydrophobicContact CG-CG1 4.11Å; D285-V287 PolarHBondContact O-N 3.33Å
288	R	97.7	Very high	95.6	Very high	2 Å²	2	54.9 Å²	54.9	1%	0.008	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-81.3	133.6	164	-167.5	-169.3	-173.9	-178.4	4	108.9	P48 W51 C61 S68 P69 E145 M240 T241	P48-R288 HydrophobicContact CB-CG 4.22Å; W51-R288 HydrophobicContact CH2-CB 4.31Å; W51-R288 HydrophobicContact CH2-CG 4.17Å; W51-R288 HydrophobicContact CZ3-CB 4.38Å; W51-R288 HydrophobicContact CZ3-CG 3.82Å; C61-R288 PolarHBondContact O-NH2 2.83Å; C61-R288 VanDerWaalsContact O-NH2 3.14Å; S68-R288 WeakPolarHBondContact O-CD 3.49Å; S68-R288 PolarHBondContact O-NH1 3.27Å; P69-R288 WeakPolarHBondContact CG-O 3.47Å; E145-R288 WeakPolarHBondContact OE1-CB 3.35Å; E145-R288 PolarHBondContact OE1-N 3.18Å; M240-R288 PolarHBondContact O-NH1 2.82Å; T241-R288 WeakPolarHBondContact O-CD 3.34Å
289	P	97.1	Very high	96	Very high	78 Å²	78	54.8 Å²	54.8	51%	0.506	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-59.2	153.5	172.7	-24.8	34.3	0	0	0	112.9	Q291	P289-Q291 PolarHBondContact O-NE2 3.01Å
290	V	97.9	Very high	96.3	Very high	59 Å²	59	47.5 Å²	47.5	36%	0.358	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-57.4	140.8	175	-67.5	0	0	0	0	112.3	L147	L147-V290 HydrophobicContact CB-CG1 4.32Å; L147-V290 HydrophobicContact CD1-CG1 3.58Å; L147-V290 HydrophobicContact CD1-CG2 4.16Å; L147-V290 HydrophobicContact CG-CG1 3.55Å
291	Q	98.3	Very high	96.3	Very high	45 Å²	45	44.3 Å²	44.3	21%	0.21	25%	0.247	C	C	.	.			trans	-105.5	153.9	-179.2	-56.1	-62.5	-58.3	0	0	109.7	Q67 P69 P289 L293	Q67-Q291 HydrophobicContact CB-CB 3.79Å; Q67-Q291 HydrophobicContact CB-CG 3.81Å; P69-Q291 WeakPolarHBondContact O-CB 3.48Å; P69-Q291 PolarHBondContact O-N 3.39Å; P289-Q291 PolarHBondContact O-NE2 3.01Å; Q291-L293 PolarHBondContact O-N 2.71Å
292	P	97.4	Very high	96.2	Very high	81 Å²	81	42.6 Å²	42.6	53%	0.526	24%	0.238	S	C	.	.			trans	-57.6	138.5	177.1	-26.1	35.3	0	0	0	112.9	N294 R296	P292-N294 VanDerWaalsContact C-N 3.28Å; P292-N294 PolarHBondContact O-N 3.1Å; P292-R296 PolarHBondContact O-NH2 2.78Å
293	L	96.1	Very high	95.8	Very high	53 Å²	53	42.6 Å²	42.6	28%	0.277	24%	0.237	S	C	.	.			trans	-68.1	-28.9	178.8	-171.8	62.7	0	0	0	112.3	V70 Q291 N295 R296 I298	V70-L293 HydrophobicContact CB-CD1 4.38Å; V70-L293 HydrophobicContact CG1-CD1 4.22Å; V70-L293 HydrophobicContact CG2-CD1 4.33Å; Q291-L293 PolarHBondContact O-N 2.71Å; L293-N295 VanDerWaalsContact C-N 3.32Å; L293-N295 PolarHBondContact O-N 3.06Å; L293-R296 HydrophobicContact CD1-CB 4.12Å; L293-R296 HydrophobicContact CG-CB 4.4Å; L293-R296 WeakPolarHBondContact O-CB 3.24Å; L293-R296 WeakPolarHBondContact O-CG 3.22Å; L293-R296 PolarHBondContact O-N 2.87Å; L293-R296 PolarHBondContact O-NE 3.01Å; L293-I298 HydrophobicContact CD1-CD1 3.9Å; L293-I298 HydrophobicContact CD1-CG1 4.06Å; L293-I298 HydrophobicContact CD2-CD1 3.91Å; L293-I298 HydrophobicContact CD2-CG1 4.41Å
294	N	96.1	Very high	94.8	Very high	71 Å²	71	45.4 Å²	45.4	38%	0.38	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	47.9	178.3	-63.2	-36.9	0	0	0	113.4	K65 P292 R296	K65-N294 WeakPolarHBondContact CA-ND2 3.46Å; K65-N294 VanDerWaalsContact O-CB 3.31Å; K65-N294 WeakPolarHBondContact O-CB 3.44Å; K65-N294 PolarHBondContact O-ND2 3.47Å; P292-N294 VanDerWaalsContact C-N 3.28Å; P292-N294 PolarHBondContact O-N 3.1Å; N294-R296 PolarHBondContact O-N 3.12Å; N294-R296 VanDerWaalsContact O-N 3.08Å
295	N	93	Very high	93.4	Very high	166 Å²	166	50 Å²	50	89%	0.888	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.3	17.3	177.6	-54.7	-27.2	0	0	0	115.3	L293	L293-N295 VanDerWaalsContact C-N 3.32Å; L293-N295 PolarHBondContact O-N 3.06Å
296	R	96.3	Very high	91.4	Very high	28 Å²	28	53.9 Å²	53.9	11%	0.106	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-66.8	139	170.9	-71.2	176.4	-77.8	173.5	-3.4	110.5	R66 Q67 V70 E237 P292 L293 N294	R66-R296 HydrophobicContact CG-CG 4.48Å; R66-R296 PolarHBondContact O-NH1 2.9Å; Q67-R296 PolarHBondContact O-NH1 3.02Å; Q67-R296 VanDerWaalsContact O-NH1 3.11Å; Q67-R296 PolarHBondContact O-NH2 3.08Å; V70-R296 VanDerWaalsContact CG1-NH2 3.28Å; E237-R296 WeakPolarHBondContact O-CD 3.33Å; E237-R296 PolarHBondContact O-NH1 3.14Å; P292-R296 PolarHBondContact O-NH2 2.78Å; L293-R296 HydrophobicContact CD1-CB 4.12Å; L293-R296 HydrophobicContact CG-CB 4.4Å; L293-R296 WeakPolarHBondContact O-CB 3.24Å; L293-R296 WeakPolarHBondContact O-CG 3.22Å; L293-R296 PolarHBondContact O-N 2.87Å; L293-R296 PolarHBondContact O-NE 3.01Å; N294-R296 PolarHBondContact O-N 3.12Å; N294-R296 VanDerWaalsContact O-N 3.08Å
297	C	94.8	Very high	89.3	Confident	83 Å²	83	60.5 Å²	60.5	56%	0.561	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-74.1	131.5	173.6	-62.6	0	0	0	0	110.8	I78	I78-C297 HydrophobicContact CD1-CB 4.19Å
298	I	97.1	Very high	86.8	Confident	4 Å²	4	61.8 Å²	61.8	2%	0.021	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-100.3	120.6	167.5	-62.1	168.8	0	0	0	107.2	I72 M77 I78 I234 L293	I72-I298 HydrophobicContact CD1-CD1 3.7Å; I72-I298 HydrophobicContact CD1-CG1 4.3Å; I72-I298 HydrophobicContact CD1-CG2 4.29Å; I72-I298 HydrophobicContact CG2-CG2 4.38Å; M77-I298 HydrophobicContact CG-CB 4.45Å; M77-I298 HydrophobicContact CG-CG2 3.79Å; M77-I298 HydrophobicContact SD-CG2 4.31Å; I78-I298 PolarHBondContact N-O 3.4Å; I234-I298 HydrophobicContact CG2-CG2 3.29Å; L293-I298 HydrophobicContact CD1-CD1 3.9Å; L293-I298 HydrophobicContact CD1-CG1 4.06Å; L293-I298 HydrophobicContact CD2-CD1 3.91Å; L293-I298 HydrophobicContact CD2-CG1 4.41Å
299	R	97.4	Very high	84.1	Confident	70 Å²	70	70.7 Å²	70.7	26%	0.264	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	156	-179.7	-60.2	-178.5	-64.6	147.5	-4.9	110.9	I78 D80 L83 I234 T235	I78-R299 CarbonylContact O-C 3.58Å; I78-R299 VanDerWaalsContact O-CA 3.28Å; I78-R299 WeakPolarHBondContact O-CA 3.46Å; D80-R299 HydrophobicContact CB-CB 4.26Å; D80-R299 WeakPolarHBondContact OD2-CD 3.47Å; D80-R299 IonicContact OD2-CZ 3.56Å; D80-R299 IonicContact OD2-NE 2.74Å; D80-R299 IonicContact OD2-NH1 3.73Å; D80-R299 PolarHBondContact OD2-NH1 3.4Å; L83-R299 HydrophobicContact CD1-CB 4.23Å; I234-R299 CarbonylContact C-O 3.51Å; I234-R299 WeakPolarHBondContact CA-O 3.25Å; T235-R299 HydrophobicContact CG2-CB 3.97Å; T235-R299 PolarHBondContact N-O 2.87Å; T235-R299 PolarHBondContact O-N 3.1Å
300	T	97.3	Very high	81.9	Confident	0 Å²	0	75.2 Å²	75.2	0%	0	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	149.6	175.6	-177.4	0	0	0	0	111.2	M77 I78 F79 D80 F233 I302 F304	M77-T300 HydrophobicContact CB-CG2 4.01Å; M77-T300 HydrophobicContact CE-CG2 4.44Å; I78-T300 PolarHBondContact O-N 2.88Å; F79-T300 CarbonylContact C-O 3.46Å; F79-T300 WeakPolarHBondContact CA-O 3.21Å; D80-T300 PolarHBondContact N-O 3.31Å; F233-T300 WeakPolarHBondContact O-CA 3.4Å; F233-T300 WeakPolarHBondContact O-CB 3.39Å; F233-T300 PolarHBondContact O-OG1 2.83Å; T300-I302 HydrophobicContact CG2-CB 4.34Å; T300-I302 WeakPolarHBondContact OG1-CB 3.26Å; T300-I302 WeakPolarHBondContact OG1-CD1 3.27Å; T300-I302 WeakPolarHBondContact OG1-CG1 3.22Å; T300-I302 PolarHBondContact OG1-N 2.83Å; T300-I302 VanDerWaalsContact OG1-N 3.12Å; T300-F304 HydrophobicContact CG2-CE2 4.07Å
301	N	94.6	Very high	79.3	Confident	34 Å²	34	75.9 Å²	75.9	18%	0.182	42%	0.416	C	S	.	.	S	Bend	trans	-88.1	9	170.5	70.1	-14.6	0	0	0	112.7	L83 N231 S232 F233	L83-N301 HydrophobicContact CB-CB 3.84Å; L83-N301 HydrophobicContact CD1-CB 4.3Å; N231-N301 PolarHBondContact O-ND2 3.35Å; S232-N301 VanDerWaalsContact CA-OD1 3.26Å; S232-N301 WeakPolarHBondContact CA-OD1 3.46Å; F233-N301 WeakPolarHBondContact CE1-ND2 3.49Å; F233-N301 PolarHBondContact N-OD1 2.9Å; F233-N301 PolarHBondContact O-N 2.79Å; F233-N301 PolarHBondContact O-OD1 2.88Å
302	I	90.8	Very high	76.8	Confident	2 Å²	2	80.3 Å²	80.3	1%	0.01	45%	0.449	C	S	.	.			trans	-87.8	119.2	175.9	-55.9	162.7	0	0	0	109	F79 N255 T300 F304 L319	F79-I302 WeakPolarHBondContact CD2-O 3.15Å; N255-I302 HydrophobicContact CB-CD1 3.91Å; N255-I302 WeakPolarHBondContact ND2-CD1 3.5Å; T300-I302 HydrophobicContact CG2-CB 4.34Å; T300-I302 WeakPolarHBondContact OG1-CB 3.26Å; T300-I302 WeakPolarHBondContact OG1-CD1 3.27Å; T300-I302 WeakPolarHBondContact OG1-CG1 3.22Å; T300-I302 PolarHBondContact OG1-N 2.83Å; T300-I302 VanDerWaalsContact OG1-N 3.12Å; I302-F304 HydrophobicContact CB-CD2 4.46Å; I302-F304 HydrophobicContact CB-CE2 3.76Å; I302-F304 HydrophobicContact CB-CZ 3.88Å; I302-F304 HydrophobicContact CD1-CZ 4.18Å; I302-F304 HydrophobicContact CG2-CD1 4.23Å; I302-F304 HydrophobicContact CG2-CD2 4.18Å; I302-F304 HydrophobicContact CG2-CE1 3.76Å; I302-F304 HydrophobicContact CG2-CE2 3.67Å; I302-F304 HydrophobicContact CG2-CG 4.43Å; I302-F304 HydrophobicContact CG2-CZ 3.45Å; I302-F304 VanDerWaalsContact CG2-CZ 3.45Å; I302-F304 WeakPolarHBondContact O-CD2 3.27Å; I302-F304 PolarHBondContact O-N 2.87Å; I302-L319 HydrophobicContact CD1-CD2 4.12Å
303	N	85.7	Confident	74.3	Confident	23 Å²	23	84 Å²	84	12%	0.123	46%	0.464	C	S	.	.			trans	-89.6	97.9	176.5	-169.6	-5.2	0	0	0	111.5	F79 S305 M306	F79-N303 HydrophobicContact CD1-CB 4.46Å; F79-N303 HydrophobicContact CD2-CB 3.99Å; F79-N303 HydrophobicContact CE1-CB 4.26Å; F79-N303 HydrophobicContact CE2-CB 3.77Å; F79-N303 HydrophobicContact CG-CB 4.33Å; F79-N303 HydrophobicContact CZ-CB 3.91Å; N303-S305 VanDerWaalsContact C-N 3.29Å; N303-S305 PolarHBondContact O-N 2.82Å; N303-S305 PolarHBondContact OD1-N 3.12Å; N303-S305 PolarHBondContact OD1-OG 3.48Å; N303-M306 WeakPolarHBondContact ND2-CG 3.5Å
304	F	75.9	Confident	71.8	Confident	58 Å²	58	87 Å²	87	25%	0.254	48%	0.48	S	S	.	.	G	3₁₀ helix	trans	-74.4	-16.5	177.7	-63.3	-80.1	0	0	0	114	M77 T300 I302 M306 Q307 L319	M77-F304 HydrophobicContact CE-CD2 4.49Å; M77-F304 HydrophobicContact CE-CE2 3.43Å; M77-F304 VanDerWaalsContact CE-CE2 3.43Å; M77-F304 HydrophobicContact CE-CZ 3.55Å; T300-F304 HydrophobicContact CG2-CE2 4.07Å; I302-F304 HydrophobicContact CB-CD2 4.46Å; I302-F304 HydrophobicContact CB-CE2 3.76Å; I302-F304 HydrophobicContact CB-CZ 3.88Å; I302-F304 HydrophobicContact CD1-CZ 4.18Å; I302-F304 HydrophobicContact CG2-CD1 4.23Å; I302-F304 HydrophobicContact CG2-CD2 4.18Å; I302-F304 HydrophobicContact CG2-CE1 3.76Å; I302-F304 HydrophobicContact CG2-CE2 3.67Å; I302-F304 HydrophobicContact CG2-CG 4.43Å; I302-F304 HydrophobicContact CG2-CZ 3.45Å; I302-F304 VanDerWaalsContact CG2-CZ 3.45Å; I302-F304 WeakPolarHBondContact O-CD2 3.27Å; I302-F304 PolarHBondContact O-N 2.87Å; F304-M306 VanDerWaalsContact C-N 3.3Å; F304-M306 PolarHBondContact O-N 2.96Å; F304-Q307 WeakPolarHBondContact O-CG 3.42Å; F304-L319 HydrophobicContact CE1-CD1 3.72Å; F304-L319 HydrophobicContact CE1-CG 3.72Å; F304-L319 HydrophobicContact CZ-CD1 3.78Å; F304-L319 HydrophobicContact CZ-CD2 4.13Å; F304-L319 HydrophobicContact CZ-CG 3.68Å
305	S	67	Low	69.4	Low	104 Å²	104	95.8 Å²	95.8	73%	0.727	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-77.3	-14.5	-177.9	67.6	0	0	0	0	113.7	N303 Q307	N303-S305 VanDerWaalsContact C-N 3.29Å; N303-S305 PolarHBondContact O-N 2.82Å; N303-S305 PolarHBondContact OD1-N 3.12Å; N303-S305 PolarHBondContact OD1-OG 3.48Å; S305-Q307 VanDerWaalsContact C-N 3.27Å; S305-Q307 PolarHBondContact O-N 3.48Å
306	M	55.8	Low	67.1	Low	133 Å²	133	90 Å²	90	66%	0.655	48%	0.483	S	S	*	.	G	3₁₀ helix	trans	-84.6	20.6	177.1	-75.2	-171.3	167.3	0	0	114.4	N303 F304 G308	N303-M306 WeakPolarHBondContact ND2-CG 3.5Å; F304-M306 VanDerWaalsContact C-N 3.3Å; F304-M306 PolarHBondContact O-N 2.96Å; M306-G308 PolarHBondContact O-N 3Å
307	Q	52.8	Low	65	Low	139 Å²	139	94.2 Å²	94.2	65%	0.65	50%	0.504	S	S	*	.			trans	-69	21.2	176.1	-76.4	-173.9	6	0	0	114.9	F304 S305	F304-Q307 WeakPolarHBondContact O-CG 3.42Å; S305-Q307 VanDerWaalsContact C-N 3.27Å; S305-Q307 PolarHBondContact O-N 3.48Å
308	G	44.4	Very low	63.3	Low	64 Å²	64	96 Å²	96	66%	0.66	50%	0.503	S	S	*	.			trans	-99.3	118.5	-177.7	0	0	0	0	0	114.4	M306	M306-G308 PolarHBondContact O-N 3Å
309	K	41.5	Very low	61.9	Low	189 Å²	189	97.8 Å²	97.8	82%	0.822	51%	0.512	S	S	*	.			trans	86	111.1	171.9	-61.2	-173.2	179	-179.4	0	116.5	C311	K309-C311 PolarHBondContact O-N 2.86Å
310	D	48.9	Very low	60.7	Low	174 Å²	174	98.4 Å²	98.4	93%	0.93	52%	0.518	S	S	*	.			trans	-50.9	97.8	164.5	-82.1	-41.2	0	0	0	110.6
311	C	44	Very low	59.2	Low	73 Å²	73	99.3 Å²	99.3	49%	0.493	52%	0.521	S	S	.	.			trans	-103.4	128.7	159.9	-71.5	0	0	0	0	107.7	K309 N313 N314	K309-C311 PolarHBondContact O-N 2.86Å; C311-N313 PolarHBondContact O-N 2.77Å; C311-N314 HydrophobicContact CB-CB 4.46Å; C311-N314 PolarHBondContact O-N 2.88Å
312	P	46.8	Very low	57.3	Low	138 Å²	138	105.9 Å²	105.9	90%	0.896	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-19	-176.2	-24.6	31.9	0	0	0	115.2
313	N	44.8	Very low	55	Low	158 Å²	158	107.7 Å²	107.7	85%	0.845	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.6	0.3	-179.8	-84.3	-10.6	0	0	0	115	C311 R315	C311-N313 PolarHBondContact O-N 2.77Å; N313-R315 PolarHBondContact O-N 2.77Å
314	N	42.4	Very low	52.8	Low	115 Å²	115	112.6 Å²	112.6	62%	0.615	58%	0.581	S	S	*	*			trans	-84.4	89.1	170	-83.6	-16.9	0	0	0	109	C311 A316	C311-N314 HydrophobicContact CB-CB 4.46Å; C311-N314 PolarHBondContact O-N 2.88Å; N314-A316 PolarHBondContact O-N 2.86Å
315	R	45.3	Very low	51.1	Low	256 Å²	256	117 Å²	117	97%	0.966	60%	0.602	S	S	*	*			trans	-62.1	83	149.4	-95.7	-174.6	179.4	179.9	1.1	106.2	N313	N313-R315 PolarHBondContact O-N 2.77Å
316	A	44.8	Very low	49.5	Very low	44 Å²	44	123.2 Å²	123.2	36%	0.364	61%	0.61	S	S	.	*			trans	-51	148.1	-164.9	0	0	0	0	0	112.7	N314 K318	N314-A316 PolarHBondContact O-N 2.86Å; A316-K318 HydrophobicContact CB-CD 3.96Å; A316-K318 HydrophobicContact CB-CG 3.82Å; A316-K318 PolarHBondContact O-N 2.82Å
317	Q	53.8	Low	48.3	Very low	118 Å²	118	124.9 Å²	124.9	55%	0.551	62%	0.621	S	S	*	*	S	Bend	trans	-59.5	63.7	169.6	-63.3	171.5	-9	0	0	111
318	K	58.6	Low	47.1	Very low	121 Å²	121	126.6 Å²	126.6	53%	0.526	63%	0.633	S	S	.	*			trans	-105.7	155.3	-177.9	-71.2	179.7	178.1	-178.4	0	109	N255 A316 Q320	N255-K318 PolarHBondContact ND2-O 2.86Å; A316-K318 HydrophobicContact CB-CD 3.96Å; A316-K318 HydrophobicContact CB-CG 3.82Å; A316-K318 PolarHBondContact O-N 2.82Å; K318-Q320 PolarHBondContact O-N 2.96Å
319	L	67.3	Low	46.4	Very low	40 Å²	40	137.1 Å²	137.1	21%	0.209	66%	0.661	C	S	.	*			trans	-56.1	123.5	164.5	-74.1	152.9	0	0	0	108	T74 M77 I234 N255 I302 F304 Y321	T74-L319 HydrophobicContact CG2-CD1 3.4Å; T74-L319 HydrophobicContact CG2-CD2 4.43Å; M77-L319 HydrophobicContact CE-CD1 4.44Å; M77-L319 HydrophobicContact CE-CD2 4.4Å; I234-L319 HydrophobicContact CD1-CD2 4.18Å; N255-L319 VanDerWaalsContact OD1-CA 3.28Å; N255-L319 WeakPolarHBondContact OD1-CA 3.4Å; I302-L319 HydrophobicContact CD1-CD2 4.12Å; F304-L319 HydrophobicContact CE1-CD1 3.72Å; F304-L319 HydrophobicContact CE1-CG 3.72Å; F304-L319 HydrophobicContact CZ-CD1 3.78Å; F304-L319 HydrophobicContact CZ-CD2 4.13Å; F304-L319 HydrophobicContact CZ-CG 3.68Å; L319-Y321 VanDerWaalsContact C-N 3.26Å; L319-Y321 HydrophobicContact CB-CD2 4.26Å; L319-Y321 HydrophobicContact CD2-CD2 3.77Å; L319-Y321 HydrophobicContact CD2-CE2 3.9Å
320	Q	72.4	Confident	46.6	Very low	84 Å²	84	134.6 Å²	134.6	39%	0.393	65%	0.653	S	S	.	*			trans	-87.4	-4	-176.8	-54	-171.2	-8	0	0	112.4	N255 K256 K318 R322	N255-Q320 VanDerWaalsContact O-CB 3.3Å; N255-Q320 WeakPolarHBondContact O-CB 3.33Å; N255-Q320 WeakPolarHBondContact O-CG 2.92Å; N255-Q320 PolarHBondContact OD1-N 2.88Å; K256-Q320 HydrophobicContact CB-CB 4.48Å; K256-Q320 VanDerWaalsContact CD-OE1 3.31Å; K318-Q320 PolarHBondContact O-N 2.96Å; Q320-R322 PolarHBondContact O-N 3.04Å
321	Y	65.7	Low	46.5	Very low	19 Å²	19	132.5 Å²	132.5	8%	0.075	64%	0.638	C	S	.	*			trans	-65.6	91.5	169.5	-54.1	-63.7	0	0	0	110.2	L148 F153 F186 I234 M254 N255 L319	L148-Y321 VanDerWaalsContact CD2-CB 3.47Å; L148-Y321 HydrophobicContact CD2-CD1 4.5Å; L148-Y321 HydrophobicContact CD2-CD2 3.3Å; L148-Y321 HydrophobicContact CD2-CE2 4.02Å; L148-Y321 HydrophobicContact CD2-CG 3.53Å; F153-Y321 HydrophobicContact CE1-CD1 4.49Å; F153-Y321 HydrophobicContact CE2-CD1 4.48Å; F153-Y321 AromaticContact CZ-CD1 3.86Å; F153-Y321 HydrophobicContact CZ-CD1 3.86Å; F153-Y321 HydrophobicContact CZ-CG 4.24Å; F186-Y321 AromaticContact CD2-CD1 3.81Å; F186-Y321 HydrophobicContact CD2-CD1 3.81Å; F186-Y321 AromaticContact CD2-CE1 3.39Å; F186-Y321 HydrophobicContact CD2-CE1 3.39Å; F186-Y321 AromaticContact CD2-CZ 3.98Å; F186-Y321 HydrophobicContact CE2-CD1 4.39Å; F186-Y321 AromaticContact CE2-CE1 3.92Å; F186-Y321 HydrophobicContact CE2-CE1 3.92Å; F186-Y321 HydrophobicContact CG-CE1 4.5Å; I234-Y321 HydrophobicContact CD1-CE2 4.35Å; M254-Y321 WeakPolarHBondContact O-CE1 3.47Å; M254-Y321 VanDerWaalsContact O-CZ 3.25Å; M254-Y321 PolarHBondContact O-OH 2.84Å; N255-Y321 HydrophobicContact CB-CE2 4.38Å; N255-Y321 WeakPolarHBondContact OD1-CD2 3.11Å; N255-Y321 WeakPolarHBondContact OD1-CE2 2.93Å; L319-Y321 VanDerWaalsContact C-N 3.26Å; L319-Y321 HydrophobicContact CB-CD2 4.26Å; L319-Y321 HydrophobicContact CD2-CD2 3.77Å; L319-Y321 HydrophobicContact CD2-CE2 3.9Å
322	R	54.4	Low	46.6	Very low	171 Å²	171	135.8 Å²	135.8	65%	0.645	65%	0.646	S	S	*	*			trans	-90	96.5	165	-63.7	-169.2	-172.2	-167.6	5.1	108.2	K188 Q320 E325	K188-R322 PolarHBondContact NZ-O 3.02Å; Q320-R322 PolarHBondContact O-N 3.04Å; R322-E325 IonicContact NH1-OE1 2.75Å
323	V	41.9	Very low	46.6	Very low	41 Å²	41	135.6 Å²	135.6	25%	0.248	63%	0.632	C	S	.	*			trans	-87.6	125.8	165.6	-173	0	0	0	0	106.7	Q151 F153	Q151-V323 HydrophobicContact CB-CG1 4.42Å; F153-V323 HydrophobicContact CE1-CG2 3.83Å; F153-V323 HydrophobicContact CE2-CG2 3.85Å; F153-V323 HydrophobicContact CZ-CG2 3.37Å
324	N	40.3	Very low	46.8	Very low	125 Å²	125	134.3 Å²	134.3	67%	0.668	62%	0.618	S	S	*	*			trans	8	115.1	-179.8	-61.6	-22	0	0	0	117.8	W326	N324-W326 PolarHBondContact O-N 3.11Å
325	E	40	Very low	47	Very low	152 Å²	152	135.5 Å²	135.5	71%	0.71	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.6	6	175.3	-73.2	176.4	173.3	0	0	114.9	R322	R322-E325 IonicContact NH1-OE1 2.75Å
326	W	33.8	Very low	47.2	Very low	234 Å²	234	126.9 Å²	126.9	89%	0.886	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.6	10.2	-163.6	-79.6	98	0	0	0	117.2	N324	N324-W326 PolarHBondContact O-N 3.11Å
327	L	30.8	Very low	47.3	Very low	168 Å²	168	133.3 Å²	133.3	88%	0.88	61%	0.611	S	S	*	*	S	Bend	trans	-137.2	36.4	177.4	-75	171.8	0	0	0	114.7
328	L	27.7	Very low	46.8	Very low	175 Å²	175	134.6 Å²	134.6	92%	0.916	62%	0.616	S	S	*	*			trans	-124.8	79.6	160.6	-71.8	168.7	0	0	0	108.9
329	K	29	Very low	45.7	Very low	285 Å²	285	135.8 Å²	135.8	100%	1.239	63%	0.625	S	S	*	*			trans	-116.7	0	151.1	-90.5	-167.8	177.7	-177.6	0	108.3

Retrieved 329 of 329 residues in 737.5 ms (Link to these results)

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